----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:05:49]------------------------- 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: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.440173930204956 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -2.076592630681547 0.000000000000000 5.695553517331543 Atomic positions (fractional): *1 B 0.46634095592940 0.41625731322886 0.57165219718025 10.811 2 B 0.53365904407060 0.91625731322886 0.92834780281975 10.811 3 B 0.53365904407060 0.58374268677114 0.42834780281975 10.811 4 B 0.46634095592940 0.08374268677114 0.07165219718025 10.811 *5 B 0.72949250948845 0.72724048850602 0.17637676166013 10.811 6 B 0.27050749051155 0.22724048850602 0.32362323833987 10.811 7 B 0.27050749051155 0.27275951149398 0.82362323833986 10.811 8 B 0.72949250948845 0.77275951149398 0.67637676166014 10.811 *9 S 0.73467899663387 0.49293358138781 0.64434913966931 32.065 *10 S 0.91642839015550 0.73873526218782 0.99055762290500 32.065 11 S 0.91642839015550 0.76126473781218 0.49055762290500 32.065 12 S 0.08357160984450 0.23873526218782 0.50944237709500 32.065 *13 S 0.37029668259046 0.09852362801515 0.33456124773392 32.065 14 S 0.62970331740954 0.59852362801515 0.16543875226608 32.065 15 S 0.62970331740954 0.90147637198485 0.66543875226608 32.065 16 S 0.37029668259046 0.40147637198485 0.83456124773392 32.065 *17 S 0.53040801701059 0.19678831758439 0.94400426914629 32.065 18 S 0.46959198298941 0.69678831758439 0.55599573085371 32.065 19 S 0.46959198298941 0.80321168241561 0.05599573085371 32.065 20 S 0.53040801701059 0.30321168241561 0.44400426914629 32.065 21 S 0.26532100336613 0.50706641861219 0.35565086033069 32.065 22 S 0.73467899663387 0.00706641861219 0.14434913966931 32.065 23 S 0.08357160984450 0.26126473781218 0.00944237709500 32.065 24 S 0.26532100336613 0.99293358138781 0.85565086033069 32.065 *25 Sr 0.81211565212732 0.39671576628379 0.19945804961462 87.620 26 Sr 0.18788434787268 0.89671576628379 0.30054195038538 87.620 27 Sr 0.18788434787268 0.60328423371621 0.80054195038538 87.620 28 Sr 0.81211565212732 0.10328423371621 0.69945804961462 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.440173930204956 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -2.076592630681547 0.000000000000000 5.695553517331543 Atomic positions (fractional): *1 B 0.46634095592940 0.41625731322886 0.57165219718025 10.811 > 1 2 B 0.53365904407060 0.91625731322886 0.92834780281975 10.811 > 2 3 B 0.53365904407060 0.58374268677114 0.42834780281975 10.811 > 3 4 B 0.46634095592940 0.08374268677114 0.07165219718025 10.811 > 4 *5 B 0.72949250948845 0.72724048850602 0.17637676166013 10.811 > 5 6 B 0.27050749051155 0.22724048850602 0.32362323833987 10.811 > 6 7 B 0.27050749051155 0.27275951149398 0.82362323833986 10.811 > 7 8 B 0.72949250948845 0.77275951149398 0.67637676166014 10.811 > 8 *9 S 0.73467899663387 0.49293358138781 0.64434913966931 32.065 > 9 *10 S 0.91642839015550 0.73873526218782 0.99055762290500 32.065 > 10 11 S 0.91642839015550 0.76126473781218 0.49055762290500 32.065 > 11 12 S 0.08357160984450 0.23873526218782 0.50944237709500 32.065 > 12 *13 S 0.37029668259046 0.09852362801515 0.33456124773392 32.065 > 13 14 S 0.62970331740954 0.59852362801515 0.16543875226608 32.065 > 14 15 S 0.62970331740954 0.90147637198485 0.66543875226608 32.065 > 15 16 S 0.37029668259046 0.40147637198485 0.83456124773392 32.065 > 16 *17 S 0.53040801701059 0.19678831758439 0.94400426914629 32.065 > 17 18 S 0.46959198298941 0.69678831758439 0.55599573085371 32.065 > 18 19 S 0.46959198298941 0.80321168241561 0.05599573085371 32.065 > 19 20 S 0.53040801701059 0.30321168241561 0.44400426914629 32.065 > 20 21 S 0.26532100336613 0.50706641861219 0.35565086033069 32.065 > 21 22 S 0.73467899663387 0.00706641861219 0.14434913966931 32.065 > 22 23 S 0.08357160984450 0.26126473781218 0.00944237709500 32.065 > 23 24 S 0.26532100336613 0.99293358138781 0.85565086033069 32.065 > 24 *25 Sr 0.81211565212732 0.39671576628379 0.19945804961462 87.620 > 25 26 Sr 0.18788434787268 0.89671576628379 0.30054195038538 87.620 > 26 27 Sr 0.18788434787268 0.60328423371621 0.80054195038538 87.620 > 27 28 Sr 0.81211565212732 0.10328423371621 0.69945804961462 87.620 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.880347860409913 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -4.153185261363094 0.000000000000000 11.391107034663086 Atomic positions (fractional): *1 B 0.23317047796470 0.41625731322886 0.28582609859013 10.811 > 1 2 B 0.73317047796470 0.41625731322886 0.28582609859013 10.811 > 1 3 B 0.23317047796470 0.41625731322886 0.78582609859013 10.811 > 1 4 B 0.73317047796470 0.41625731322886 0.78582609859013 10.811 > 1 5 B 0.26682952203530 0.91625731322886 0.46417390140987 10.811 > 2 6 B 0.76682952203530 0.91625731322886 0.46417390140987 10.811 > 2 7 B 0.26682952203530 0.91625731322886 0.96417390140987 10.811 > 2 8 B 0.76682952203530 0.91625731322886 0.96417390140987 10.811 > 2 9 B 0.26682952203530 0.58374268677114 0.21417390140987 10.811 > 3 10 B 0.76682952203530 0.58374268677114 0.21417390140987 10.811 > 3 11 B 0.26682952203530 0.58374268677114 0.71417390140987 10.811 > 3 12 B 0.76682952203530 0.58374268677114 0.71417390140987 10.811 > 3 13 B 0.23317047796470 0.08374268677114 0.03582609859013 10.811 > 4 14 B 0.73317047796470 0.08374268677114 0.03582609859013 10.811 > 4 15 B 0.23317047796470 0.08374268677114 0.53582609859013 10.811 > 4 16 B 0.73317047796470 0.08374268677114 0.53582609859013 10.811 > 4 *17 B 0.36474625474422 0.72724048850602 0.08818838083007 10.811 > 5 18 B 0.86474625474422 0.72724048850602 0.08818838083007 10.811 > 5 19 B 0.36474625474422 0.72724048850602 0.58818838083007 10.811 > 5 20 B 0.86474625474422 0.72724048850602 0.58818838083007 10.811 > 5 21 B 0.13525374525578 0.22724048850602 0.16181161916993 10.811 > 6 22 B 0.63525374525578 0.22724048850602 0.16181161916993 10.811 > 6 23 B 0.13525374525578 0.22724048850602 0.66181161916993 10.811 > 6 24 B 0.63525374525578 0.22724048850602 0.66181161916993 10.811 > 6 25 B 0.13525374525578 0.27275951149398 0.41181161916993 10.811 > 7 26 B 0.63525374525578 0.27275951149398 0.41181161916993 10.811 > 7 27 B 0.13525374525578 0.27275951149398 0.91181161916993 10.811 > 7 28 B 0.63525374525578 0.27275951149398 0.91181161916993 10.811 > 7 29 B 0.36474625474422 0.77275951149398 0.33818838083007 10.811 > 8 30 B 0.86474625474422 0.77275951149398 0.33818838083007 10.811 > 8 31 B 0.36474625474422 0.77275951149398 0.83818838083007 10.811 > 8 32 B 0.86474625474422 0.77275951149398 0.83818838083007 10.811 > 8 *33 S 0.36733949831694 0.49293358138781 0.32217456983465 32.065 > 9 34 S 0.86733949831694 0.49293358138781 0.32217456983465 32.065 > 9 35 S 0.36733949831694 0.49293358138781 0.82217456983465 32.065 > 9 36 S 0.86733949831694 0.49293358138781 0.82217456983465 32.065 > 9 *37 S 0.45821419507775 0.73873526218782 0.49527881145250 32.065 > 10 38 S 0.95821419507775 0.73873526218782 0.49527881145250 32.065 > 10 39 S 0.45821419507775 0.73873526218782 0.99527881145250 32.065 > 10 40 S 0.95821419507775 0.73873526218782 0.99527881145250 32.065 > 10 41 S 0.45821419507775 0.76126473781218 0.24527881145250 32.065 > 11 42 S 0.95821419507775 0.76126473781218 0.24527881145250 32.065 > 11 43 S 0.45821419507775 0.76126473781218 0.74527881145250 32.065 > 11 44 S 0.95821419507775 0.76126473781218 0.74527881145250 32.065 > 11 45 S 0.04178580492225 0.23873526218782 0.25472118854750 32.065 > 12 46 S 0.54178580492225 0.23873526218782 0.25472118854750 32.065 > 12 47 S 0.04178580492225 0.23873526218782 0.75472118854750 32.065 > 12 48 S 0.54178580492225 0.23873526218782 0.75472118854750 32.065 > 12 *49 S 0.18514834129523 0.09852362801515 0.16728062386696 32.065 > 13 50 S 0.68514834129523 0.09852362801515 0.16728062386696 32.065 > 13 51 S 0.18514834129523 0.09852362801515 0.66728062386696 32.065 > 13 52 S 0.68514834129523 0.09852362801515 0.66728062386696 32.065 > 13 53 S 0.31485165870477 0.59852362801515 0.08271937613304 32.065 > 14 54 S 0.81485165870477 0.59852362801515 0.08271937613304 32.065 > 14 55 S 0.31485165870477 0.59852362801515 0.58271937613304 32.065 > 14 56 S 0.81485165870477 0.59852362801515 0.58271937613304 32.065 > 14 57 S 0.31485165870477 0.90147637198485 0.33271937613304 32.065 > 15 58 S 0.81485165870477 0.90147637198485 0.33271937613304 32.065 > 15 59 S 0.31485165870477 0.90147637198485 0.83271937613304 32.065 > 15 60 S 0.81485165870477 0.90147637198485 0.83271937613304 32.065 > 15 61 S 0.18514834129523 0.40147637198485 0.41728062386696 32.065 > 16 62 S 0.68514834129523 0.40147637198485 0.41728062386696 32.065 > 16 63 S 0.18514834129523 0.40147637198485 0.91728062386696 32.065 > 16 64 S 0.68514834129523 0.40147637198485 0.91728062386696 32.065 > 16 *65 S 0.26520400850530 0.19678831758439 0.47200213457315 32.065 > 17 66 S 0.76520400850530 0.19678831758439 0.47200213457315 32.065 > 17 67 S 0.26520400850530 0.19678831758439 0.97200213457315 32.065 > 17 68 S 0.76520400850530 0.19678831758439 0.97200213457315 32.065 > 17 69 S 0.23479599149471 0.69678831758439 0.27799786542685 32.065 > 18 70 S 0.73479599149470 0.69678831758439 0.27799786542685 32.065 > 18 71 S 0.23479599149471 0.69678831758439 0.77799786542685 32.065 > 18 72 S 0.73479599149470 0.69678831758439 0.77799786542685 32.065 > 18 73 S 0.23479599149471 0.80321168241561 0.02799786542685 32.065 > 19 74 S 0.73479599149470 0.80321168241561 0.02799786542685 32.065 > 19 75 S 0.23479599149471 0.80321168241561 0.52799786542685 32.065 > 19 76 S 0.73479599149470 0.80321168241561 0.52799786542685 32.065 > 19 77 S 0.26520400850530 0.30321168241561 0.22200213457314 32.065 > 20 78 S 0.76520400850530 0.30321168241561 0.22200213457314 32.065 > 20 79 S 0.26520400850530 0.30321168241561 0.72200213457314 32.065 > 20 80 S 0.76520400850530 0.30321168241561 0.72200213457314 32.065 > 20 81 S 0.13266050168307 0.50706641861219 0.17782543016535 32.065 > 21 82 S 0.63266050168306 0.50706641861219 0.17782543016535 32.065 > 21 83 S 0.13266050168307 0.50706641861219 0.67782543016535 32.065 > 21 84 S 0.63266050168306 0.50706641861219 0.67782543016535 32.065 > 21 85 S 0.36733949831694 0.00706641861219 0.07217456983465 32.065 > 22 86 S 0.86733949831694 0.00706641861219 0.07217456983465 32.065 > 22 87 S 0.36733949831694 0.00706641861219 0.57217456983465 32.065 > 22 88 S 0.86733949831694 0.00706641861219 0.57217456983465 32.065 > 22 89 S 0.04178580492225 0.26126473781218 0.00472118854750 32.065 > 23 90 S 0.54178580492225 0.26126473781218 0.00472118854750 32.065 > 23 91 S 0.04178580492225 0.26126473781218 0.50472118854750 32.065 > 23 92 S 0.54178580492225 0.26126473781218 0.50472118854750 32.065 > 23 93 S 0.13266050168307 0.99293358138781 0.42782543016535 32.065 > 24 94 S 0.63266050168306 0.99293358138781 0.42782543016535 32.065 > 24 95 S 0.13266050168307 0.99293358138781 0.92782543016535 32.065 > 24 96 S 0.63266050168306 0.99293358138781 0.92782543016535 32.065 > 24 *97 Sr 0.40605782606366 0.39671576628379 0.09972902480731 87.620 > 25 98 Sr 0.90605782606366 0.39671576628379 0.09972902480731 87.620 > 25 99 Sr 0.40605782606366 0.39671576628379 0.59972902480731 87.620 > 25 100 Sr 0.90605782606366 0.39671576628379 0.59972902480731 87.620 > 25 101 Sr 0.09394217393634 0.89671576628379 0.15027097519269 87.620 > 26 102 Sr 0.59394217393634 0.89671576628379 0.15027097519269 87.620 > 26 103 Sr 0.09394217393634 0.89671576628379 0.65027097519269 87.620 > 26 104 Sr 0.59394217393634 0.89671576628379 0.65027097519269 87.620 > 26 105 Sr 0.09394217393634 0.60328423371621 0.40027097519269 87.620 > 27 106 Sr 0.59394217393634 0.60328423371621 0.40027097519269 87.620 > 27 107 Sr 0.09394217393634 0.60328423371621 0.90027097519269 87.620 > 27 108 Sr 0.59394217393634 0.60328423371621 0.90027097519269 87.620 > 27 109 Sr 0.40605782606366 0.10328423371621 0.34972902480731 87.620 > 28 110 Sr 0.90605782606366 0.10328423371621 0.34972902480731 87.620 > 28 111 Sr 0.40605782606366 0.10328423371621 0.84972902480731 87.620 > 28 112 Sr 0.90605782606366 0.10328423371621 0.84972902480731 87.620 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1483533 0.0000000 -0.2109779 0.0000000 5.7211783 0.0000000 -0.2109767 0.0000000 5.3851838 -------------------------- Born effective charges -------------------------- 1 B 1.2062309 0.0979027 -0.3313785 0.0752619 2.1890912 -0.4511997 -0.4192430 -0.1659841 1.3147238 2 B 1.2062309 -0.0979027 -0.3313785 -0.0752619 2.1890912 0.4511997 -0.4192430 0.1659841 1.3147238 3 B 1.2062309 0.0979027 -0.3313785 0.0752619 2.1890912 -0.4511997 -0.4192430 -0.1659841 1.3147238 4 B 1.2062309 -0.0979027 -0.3313785 -0.0752619 2.1890912 0.4511997 -0.4192430 0.1659841 1.3147238 5 B 1.0573799 0.2125472 -0.0852425 0.0014112 1.6640933 -0.1294038 -0.0272735 -0.1875059 1.7058689 6 B 1.0573799 -0.2125472 -0.0852425 -0.0014112 1.6640933 0.1294038 -0.0272735 0.1875059 1.7058689 7 B 1.0573799 0.2125472 -0.0852425 0.0014112 1.6640933 -0.1294038 -0.0272735 -0.1875059 1.7058689 8 B 1.0573799 -0.2125472 -0.0852425 -0.0014112 1.6640933 0.1294038 -0.0272735 0.1875059 1.7058689 9 S -1.6614082 -0.3031905 -0.2154584 -0.3459550 -1.8549216 0.3556378 -0.1448043 0.2074540 -1.3280104 10 S -1.2923346 0.0756868 0.2202975 -0.0150246 -1.0606822 -0.0086141 0.2812766 -0.0476565 -1.8155053 11 S -1.2923346 -0.0756868 0.2202975 0.0150246 -1.0606822 0.0086141 0.2812766 0.0476565 -1.8155053 12 S -1.2923346 -0.0756868 0.2202975 0.0150246 -1.0606822 0.0086141 0.2812766 0.0476565 -1.8155053 13 S -1.0448753 0.1854179 0.1850722 0.1790577 -1.8416422 -0.3088781 0.1722331 -0.1576924 -1.3480258 14 S -1.0448753 -0.1854179 0.1850722 -0.1790577 -1.8416422 0.3088781 0.1722331 0.1576924 -1.3480258 15 S -1.0448753 0.1854179 0.1850722 0.1790577 -1.8416422 -0.3088781 0.1722331 -0.1576924 -1.3480258 16 S -1.0448753 -0.1854179 0.1850722 -0.1790577 -1.8416422 0.3088781 0.1722331 0.1576924 -1.3480258 17 S -1.2228352 0.1292857 0.1460506 0.0533580 -1.7616059 0.1831490 -0.0052325 0.2369734 -1.0205436 18 S -1.2228352 -0.1292857 0.1460506 -0.0533580 -1.7616059 -0.1831490 -0.0052325 -0.2369734 -1.0205436 19 S -1.2228352 0.1292857 0.1460506 0.0533580 -1.7616059 0.1831490 -0.0052325 0.2369734 -1.0205436 20 S -1.2228352 -0.1292857 0.1460506 -0.0533580 -1.7616059 -0.1831490 -0.0052325 -0.2369734 -1.0205436 21 S -1.6614082 -0.3031905 -0.2154584 -0.3459550 -1.8549216 0.3556378 -0.1448043 0.2074540 -1.3280104 22 S -1.6614082 0.3031905 -0.2154584 0.3459550 -1.8549216 -0.3556378 -0.1448043 -0.2074540 -1.3280104 23 S -1.2923346 0.0756868 0.2202975 -0.0150246 -1.0606822 -0.0086141 0.2812766 -0.0476565 -1.8155053 24 S -1.6614082 0.3031905 -0.2154584 0.3459550 -1.8549216 -0.3556378 -0.1448043 -0.2074540 -1.3280104 25 Sr 2.9578425 -0.2738166 0.0806592 -0.0806028 2.6656675 0.0177133 0.1430436 0.0273041 2.4914925 26 Sr 2.9578425 0.2738166 0.0806592 0.0806028 2.6656675 -0.0177133 0.1430436 -0.0273041 2.4914925 27 Sr 2.9578425 -0.2738166 0.0806592 -0.0806028 2.6656675 0.0177133 0.1430436 0.0273041 2.4914925 28 Sr 2.9578425 0.2738166 0.0806592 0.0806028 2.6656675 -0.0177133 0.1430436 -0.0273041 2.4914925 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 880 - Time: 0.936 Solver_block: 200 / 880 - Time: 0.853 Solver_block: 300 / 880 - Time: 0.849 Solver_block: 400 / 880 - Time: 0.852 Solver_block: 500 / 880 - Time: 0.850 Solver_block: 600 / 880 - Time: 0.853 Solver_block: 700 / 880 - Time: 0.851 Solver_block: 800 / 880 - Time: 0.851 Solver_block: 880 / 880 - Time: 0.742 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.824 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), 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 2026-01-07 23:06:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:06:38]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.440173930204956 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -2.076592630681547 0.000000000000000 5.695553517331543 Atomic positions (fractional): 1 B 0.46634095592940 0.41625731322886 0.57165219718025 10.811 2 B 0.53365904407060 0.91625731322886 0.92834780281975 10.811 3 B 0.53365904407060 0.58374268677114 0.42834780281975 10.811 4 B 0.46634095592940 0.08374268677114 0.07165219718025 10.811 5 B 0.72949250948845 0.72724048850602 0.17637676166013 10.811 6 B 0.27050749051155 0.22724048850602 0.32362323833987 10.811 7 B 0.27050749051155 0.27275951149398 0.82362323833986 10.811 8 B 0.72949250948845 0.77275951149398 0.67637676166014 10.811 9 S 0.73467899663387 0.49293358138781 0.64434913966931 32.065 10 S 0.91642839015550 0.73873526218782 0.99055762290500 32.065 11 S 0.91642839015550 0.76126473781218 0.49055762290500 32.065 12 S 0.08357160984450 0.23873526218782 0.50944237709500 32.065 13 S 0.37029668259046 0.09852362801515 0.33456124773392 32.065 14 S 0.62970331740954 0.59852362801515 0.16543875226608 32.065 15 S 0.62970331740954 0.90147637198485 0.66543875226608 32.065 16 S 0.37029668259046 0.40147637198485 0.83456124773392 32.065 17 S 0.53040801701059 0.19678831758439 0.94400426914629 32.065 18 S 0.46959198298941 0.69678831758439 0.55599573085371 32.065 19 S 0.46959198298941 0.80321168241561 0.05599573085371 32.065 20 S 0.53040801701059 0.30321168241561 0.44400426914629 32.065 21 S 0.26532100336613 0.50706641861219 0.35565086033069 32.065 22 S 0.73467899663387 0.00706641861219 0.14434913966931 32.065 23 S 0.08357160984450 0.26126473781218 0.00944237709500 32.065 24 S 0.26532100336613 0.99293358138781 0.85565086033069 32.065 25 Sr 0.81211565212732 0.39671576628379 0.19945804961462 87.620 26 Sr 0.18788434787268 0.89671576628379 0.30054195038538 87.620 27 Sr 0.18788434787268 0.60328423371621 0.80054195038538 87.620 28 Sr 0.81211565212732 0.10328423371621 0.69945804961462 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.880347860409913 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -4.153185261363094 0.000000000000000 11.391107034663086 Atomic positions (fractional): 1 B 0.23317047796470 0.41625731322886 0.28582609859013 10.811 > 1 2 B 0.73317047796470 0.41625731322886 0.28582609859013 10.811 > 1 3 B 0.23317047796470 0.41625731322886 0.78582609859013 10.811 > 1 4 B 0.73317047796470 0.41625731322886 0.78582609859013 10.811 > 1 5 B 0.26682952203530 0.91625731322886 0.46417390140987 10.811 > 5 6 B 0.76682952203530 0.91625731322886 0.46417390140987 10.811 > 5 7 B 0.26682952203530 0.91625731322886 0.96417390140987 10.811 > 5 8 B 0.76682952203530 0.91625731322886 0.96417390140987 10.811 > 5 9 B 0.26682952203530 0.58374268677114 0.21417390140987 10.811 > 9 10 B 0.76682952203530 0.58374268677114 0.21417390140987 10.811 > 9 11 B 0.26682952203530 0.58374268677114 0.71417390140987 10.811 > 9 12 B 0.76682952203530 0.58374268677114 0.71417390140987 10.811 > 9 13 B 0.23317047796470 0.08374268677114 0.03582609859013 10.811 > 13 14 B 0.73317047796470 0.08374268677114 0.03582609859013 10.811 > 13 15 B 0.23317047796470 0.08374268677114 0.53582609859013 10.811 > 13 16 B 0.73317047796470 0.08374268677114 0.53582609859013 10.811 > 13 17 B 0.36474625474422 0.72724048850602 0.08818838083007 10.811 > 17 18 B 0.86474625474422 0.72724048850602 0.08818838083007 10.811 > 17 19 B 0.36474625474422 0.72724048850602 0.58818838083007 10.811 > 17 20 B 0.86474625474422 0.72724048850602 0.58818838083007 10.811 > 17 21 B 0.13525374525578 0.22724048850602 0.16181161916993 10.811 > 21 22 B 0.63525374525578 0.22724048850602 0.16181161916993 10.811 > 21 23 B 0.13525374525578 0.22724048850602 0.66181161916993 10.811 > 21 24 B 0.63525374525578 0.22724048850602 0.66181161916993 10.811 > 21 25 B 0.13525374525578 0.27275951149398 0.41181161916993 10.811 > 25 26 B 0.63525374525578 0.27275951149398 0.41181161916993 10.811 > 25 27 B 0.13525374525578 0.27275951149398 0.91181161916993 10.811 > 25 28 B 0.63525374525578 0.27275951149398 0.91181161916993 10.811 > 25 29 B 0.36474625474422 0.77275951149398 0.33818838083007 10.811 > 29 30 B 0.86474625474422 0.77275951149398 0.33818838083007 10.811 > 29 31 B 0.36474625474422 0.77275951149398 0.83818838083007 10.811 > 29 32 B 0.86474625474422 0.77275951149398 0.83818838083007 10.811 > 29 33 S 0.36733949831694 0.49293358138781 0.32217456983465 32.065 > 33 34 S 0.86733949831694 0.49293358138781 0.32217456983465 32.065 > 33 35 S 0.36733949831694 0.49293358138781 0.82217456983465 32.065 > 33 36 S 0.86733949831694 0.49293358138781 0.82217456983465 32.065 > 33 37 S 0.45821419507775 0.73873526218782 0.49527881145250 32.065 > 37 38 S 0.95821419507775 0.73873526218782 0.49527881145250 32.065 > 37 39 S 0.45821419507775 0.73873526218782 0.99527881145250 32.065 > 37 40 S 0.95821419507775 0.73873526218782 0.99527881145250 32.065 > 37 41 S 0.45821419507775 0.76126473781218 0.24527881145250 32.065 > 41 42 S 0.95821419507775 0.76126473781218 0.24527881145250 32.065 > 41 43 S 0.45821419507775 0.76126473781218 0.74527881145250 32.065 > 41 44 S 0.95821419507775 0.76126473781218 0.74527881145250 32.065 > 41 45 S 0.04178580492225 0.23873526218782 0.25472118854750 32.065 > 45 46 S 0.54178580492225 0.23873526218782 0.25472118854750 32.065 > 45 47 S 0.04178580492225 0.23873526218782 0.75472118854750 32.065 > 45 48 S 0.54178580492225 0.23873526218782 0.75472118854750 32.065 > 45 49 S 0.18514834129523 0.09852362801515 0.16728062386696 32.065 > 49 50 S 0.68514834129523 0.09852362801515 0.16728062386696 32.065 > 49 51 S 0.18514834129523 0.09852362801515 0.66728062386696 32.065 > 49 52 S 0.68514834129523 0.09852362801515 0.66728062386696 32.065 > 49 53 S 0.31485165870477 0.59852362801515 0.08271937613304 32.065 > 53 54 S 0.81485165870477 0.59852362801515 0.08271937613304 32.065 > 53 55 S 0.31485165870477 0.59852362801515 0.58271937613304 32.065 > 53 56 S 0.81485165870477 0.59852362801515 0.58271937613304 32.065 > 53 57 S 0.31485165870477 0.90147637198485 0.33271937613304 32.065 > 57 58 S 0.81485165870477 0.90147637198485 0.33271937613304 32.065 > 57 59 S 0.31485165870477 0.90147637198485 0.83271937613304 32.065 > 57 60 S 0.81485165870477 0.90147637198485 0.83271937613304 32.065 > 57 61 S 0.18514834129523 0.40147637198485 0.41728062386696 32.065 > 61 62 S 0.68514834129523 0.40147637198485 0.41728062386696 32.065 > 61 63 S 0.18514834129523 0.40147637198485 0.91728062386696 32.065 > 61 64 S 0.68514834129523 0.40147637198485 0.91728062386696 32.065 > 61 65 S 0.26520400850530 0.19678831758439 0.47200213457315 32.065 > 65 66 S 0.76520400850530 0.19678831758439 0.47200213457315 32.065 > 65 67 S 0.26520400850530 0.19678831758439 0.97200213457315 32.065 > 65 68 S 0.76520400850530 0.19678831758439 0.97200213457315 32.065 > 65 69 S 0.23479599149471 0.69678831758439 0.27799786542685 32.065 > 69 70 S 0.73479599149470 0.69678831758439 0.27799786542685 32.065 > 69 71 S 0.23479599149471 0.69678831758439 0.77799786542685 32.065 > 69 72 S 0.73479599149470 0.69678831758439 0.77799786542685 32.065 > 69 73 S 0.23479599149471 0.80321168241561 0.02799786542685 32.065 > 73 74 S 0.73479599149470 0.80321168241561 0.02799786542685 32.065 > 73 75 S 0.23479599149471 0.80321168241561 0.52799786542685 32.065 > 73 76 S 0.73479599149470 0.80321168241561 0.52799786542685 32.065 > 73 77 S 0.26520400850530 0.30321168241561 0.22200213457314 32.065 > 77 78 S 0.76520400850530 0.30321168241561 0.22200213457314 32.065 > 77 79 S 0.26520400850530 0.30321168241561 0.72200213457314 32.065 > 77 80 S 0.76520400850530 0.30321168241561 0.72200213457314 32.065 > 77 81 S 0.13266050168307 0.50706641861219 0.17782543016535 32.065 > 81 82 S 0.63266050168306 0.50706641861219 0.17782543016535 32.065 > 81 83 S 0.13266050168307 0.50706641861219 0.67782543016535 32.065 > 81 84 S 0.63266050168306 0.50706641861219 0.67782543016535 32.065 > 81 85 S 0.36733949831694 0.00706641861219 0.07217456983465 32.065 > 85 86 S 0.86733949831694 0.00706641861219 0.07217456983465 32.065 > 85 87 S 0.36733949831694 0.00706641861219 0.57217456983465 32.065 > 85 88 S 0.86733949831694 0.00706641861219 0.57217456983465 32.065 > 85 89 S 0.04178580492225 0.26126473781218 0.00472118854750 32.065 > 89 90 S 0.54178580492225 0.26126473781218 0.00472118854750 32.065 > 89 91 S 0.04178580492225 0.26126473781218 0.50472118854750 32.065 > 89 92 S 0.54178580492225 0.26126473781218 0.50472118854750 32.065 > 89 93 S 0.13266050168307 0.99293358138781 0.42782543016535 32.065 > 93 94 S 0.63266050168306 0.99293358138781 0.42782543016535 32.065 > 93 95 S 0.13266050168307 0.99293358138781 0.92782543016535 32.065 > 93 96 S 0.63266050168306 0.99293358138781 0.92782543016535 32.065 > 93 97 Sr 0.40605782606366 0.39671576628379 0.09972902480731 87.620 > 97 98 Sr 0.90605782606366 0.39671576628379 0.09972902480731 87.620 > 97 99 Sr 0.40605782606366 0.39671576628379 0.59972902480731 87.620 > 97 100 Sr 0.90605782606366 0.39671576628379 0.59972902480731 87.620 > 97 101 Sr 0.09394217393634 0.89671576628379 0.15027097519269 87.620 > 101 102 Sr 0.59394217393634 0.89671576628379 0.15027097519269 87.620 > 101 103 Sr 0.09394217393634 0.89671576628379 0.65027097519269 87.620 > 101 104 Sr 0.59394217393634 0.89671576628379 0.65027097519269 87.620 > 101 105 Sr 0.09394217393634 0.60328423371621 0.40027097519269 87.620 > 105 106 Sr 0.59394217393634 0.60328423371621 0.40027097519269 87.620 > 105 107 Sr 0.09394217393634 0.60328423371621 0.90027097519269 87.620 > 105 108 Sr 0.59394217393634 0.60328423371621 0.90027097519269 87.620 > 105 109 Sr 0.40605782606366 0.10328423371621 0.34972902480731 87.620 > 109 110 Sr 0.90605782606366 0.10328423371621 0.34972902480731 87.620 > 109 111 Sr 0.40605782606366 0.10328423371621 0.84972902480731 87.620 > 109 112 Sr 0.90605782606366 0.10328423371621 0.84972902480731 87.620 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1483533 0.0000000 -0.2109779 0.0000000 5.7211783 0.0000000 -0.2109767 0.0000000 5.3851838 -------------------------- Born effective charges -------------------------- 1 B 1.2062309 0.0979027 -0.3313785 0.0752619 2.1890912 -0.4511997 -0.4192430 -0.1659841 1.3147238 2 B 1.2062309 -0.0979027 -0.3313785 -0.0752619 2.1890912 0.4511997 -0.4192430 0.1659841 1.3147238 3 B 1.2062309 0.0979027 -0.3313785 0.0752619 2.1890912 -0.4511997 -0.4192430 -0.1659841 1.3147238 4 B 1.2062309 -0.0979027 -0.3313785 -0.0752619 2.1890912 0.4511997 -0.4192430 0.1659841 1.3147238 5 B 1.0573799 0.2125472 -0.0852425 0.0014112 1.6640933 -0.1294038 -0.0272735 -0.1875059 1.7058689 6 B 1.0573799 -0.2125472 -0.0852425 -0.0014112 1.6640933 0.1294038 -0.0272735 0.1875059 1.7058689 7 B 1.0573799 0.2125472 -0.0852425 0.0014112 1.6640933 -0.1294038 -0.0272735 -0.1875059 1.7058689 8 B 1.0573799 -0.2125472 -0.0852425 -0.0014112 1.6640933 0.1294038 -0.0272735 0.1875059 1.7058689 9 S -1.6614082 -0.3031905 -0.2154584 -0.3459550 -1.8549216 0.3556378 -0.1448043 0.2074540 -1.3280104 10 S -1.2923346 0.0756868 0.2202975 -0.0150246 -1.0606822 -0.0086141 0.2812766 -0.0476565 -1.8155053 11 S -1.2923346 -0.0756868 0.2202975 0.0150246 -1.0606822 0.0086141 0.2812766 0.0476565 -1.8155053 12 S -1.2923346 -0.0756868 0.2202975 0.0150246 -1.0606822 0.0086141 0.2812766 0.0476565 -1.8155053 13 S -1.0448753 0.1854179 0.1850722 0.1790577 -1.8416422 -0.3088781 0.1722331 -0.1576924 -1.3480258 14 S -1.0448753 -0.1854179 0.1850722 -0.1790577 -1.8416422 0.3088781 0.1722331 0.1576924 -1.3480258 15 S -1.0448753 0.1854179 0.1850722 0.1790577 -1.8416422 -0.3088781 0.1722331 -0.1576924 -1.3480258 16 S -1.0448753 -0.1854179 0.1850722 -0.1790577 -1.8416422 0.3088781 0.1722331 0.1576924 -1.3480258 17 S -1.2228352 0.1292857 0.1460506 0.0533580 -1.7616059 0.1831490 -0.0052325 0.2369734 -1.0205436 18 S -1.2228352 -0.1292857 0.1460506 -0.0533580 -1.7616059 -0.1831490 -0.0052325 -0.2369734 -1.0205436 19 S -1.2228352 0.1292857 0.1460506 0.0533580 -1.7616059 0.1831490 -0.0052325 0.2369734 -1.0205436 20 S -1.2228352 -0.1292857 0.1460506 -0.0533580 -1.7616059 -0.1831490 -0.0052325 -0.2369734 -1.0205436 21 S -1.6614082 -0.3031905 -0.2154584 -0.3459550 -1.8549216 0.3556378 -0.1448043 0.2074540 -1.3280104 22 S -1.6614082 0.3031905 -0.2154584 0.3459550 -1.8549216 -0.3556378 -0.1448043 -0.2074540 -1.3280104 23 S -1.2923346 0.0756868 0.2202975 -0.0150246 -1.0606822 -0.0086141 0.2812766 -0.0476565 -1.8155053 24 S -1.6614082 0.3031905 -0.2154584 0.3459550 -1.8549216 -0.3556378 -0.1448043 -0.2074540 -1.3280104 25 Sr 2.9578425 -0.2738166 0.0806592 -0.0806028 2.6656675 0.0177133 0.1430436 0.0273041 2.4914925 26 Sr 2.9578425 0.2738166 0.0806592 0.0806028 2.6656675 -0.0177133 0.1430436 -0.0273041 2.4914925 27 Sr 2.9578425 -0.2738166 0.0806592 -0.0806028 2.6656675 0.0177133 0.1430436 0.0273041 2.4914925 28 Sr 2.9578425 0.2738166 0.0806592 0.0806028 2.6656675 -0.0177133 0.1430436 -0.0273041 2.4914925 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 97, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:07:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:07:14]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.440173930204956 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -2.076592630681547 0.000000000000000 5.695553517331543 Atomic positions (fractional): 1 B 0.46634095592940 0.41625731322886 0.57165219718025 10.811 2 B 0.53365904407060 0.91625731322886 0.92834780281975 10.811 3 B 0.53365904407060 0.58374268677114 0.42834780281975 10.811 4 B 0.46634095592940 0.08374268677114 0.07165219718025 10.811 5 B 0.72949250948845 0.72724048850602 0.17637676166013 10.811 6 B 0.27050749051155 0.22724048850602 0.32362323833987 10.811 7 B 0.27050749051155 0.27275951149398 0.82362323833986 10.811 8 B 0.72949250948845 0.77275951149398 0.67637676166014 10.811 9 S 0.73467899663387 0.49293358138781 0.64434913966931 32.065 10 S 0.91642839015550 0.73873526218782 0.99055762290500 32.065 11 S 0.91642839015550 0.76126473781218 0.49055762290500 32.065 12 S 0.08357160984450 0.23873526218782 0.50944237709500 32.065 13 S 0.37029668259046 0.09852362801515 0.33456124773392 32.065 14 S 0.62970331740954 0.59852362801515 0.16543875226608 32.065 15 S 0.62970331740954 0.90147637198485 0.66543875226608 32.065 16 S 0.37029668259046 0.40147637198485 0.83456124773392 32.065 17 S 0.53040801701059 0.19678831758439 0.94400426914629 32.065 18 S 0.46959198298941 0.69678831758439 0.55599573085371 32.065 19 S 0.46959198298941 0.80321168241561 0.05599573085371 32.065 20 S 0.53040801701059 0.30321168241561 0.44400426914629 32.065 21 S 0.26532100336613 0.50706641861219 0.35565086033069 32.065 22 S 0.73467899663387 0.00706641861219 0.14434913966931 32.065 23 S 0.08357160984450 0.26126473781218 0.00944237709500 32.065 24 S 0.26532100336613 0.99293358138781 0.85565086033069 32.065 25 Sr 0.81211565212732 0.39671576628379 0.19945804961462 87.620 26 Sr 0.18788434787268 0.89671576628379 0.30054195038538 87.620 27 Sr 0.18788434787268 0.60328423371621 0.80054195038538 87.620 28 Sr 0.81211565212732 0.10328423371621 0.69945804961462 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.880347860409913 0.000000000000000 0.000000000000000 b 0.000000000000000 14.079111899999999 0.000000000000000 c -4.153185261363094 0.000000000000000 11.391107034663086 Atomic positions (fractional): 1 B 0.23317047796470 0.41625731322886 0.28582609859013 10.811 > 1 2 B 0.73317047796470 0.41625731322886 0.28582609859013 10.811 > 1 3 B 0.23317047796470 0.41625731322886 0.78582609859013 10.811 > 1 4 B 0.73317047796470 0.41625731322886 0.78582609859013 10.811 > 1 5 B 0.26682952203530 0.91625731322886 0.46417390140987 10.811 > 5 6 B 0.76682952203530 0.91625731322886 0.46417390140987 10.811 > 5 7 B 0.26682952203530 0.91625731322886 0.96417390140987 10.811 > 5 8 B 0.76682952203530 0.91625731322886 0.96417390140987 10.811 > 5 9 B 0.26682952203530 0.58374268677114 0.21417390140987 10.811 > 9 10 B 0.76682952203530 0.58374268677114 0.21417390140987 10.811 > 9 11 B 0.26682952203530 0.58374268677114 0.71417390140987 10.811 > 9 12 B 0.76682952203530 0.58374268677114 0.71417390140987 10.811 > 9 13 B 0.23317047796470 0.08374268677114 0.03582609859013 10.811 > 13 14 B 0.73317047796470 0.08374268677114 0.03582609859013 10.811 > 13 15 B 0.23317047796470 0.08374268677114 0.53582609859013 10.811 > 13 16 B 0.73317047796470 0.08374268677114 0.53582609859013 10.811 > 13 17 B 0.36474625474422 0.72724048850602 0.08818838083007 10.811 > 17 18 B 0.86474625474422 0.72724048850602 0.08818838083007 10.811 > 17 19 B 0.36474625474422 0.72724048850602 0.58818838083007 10.811 > 17 20 B 0.86474625474422 0.72724048850602 0.58818838083007 10.811 > 17 21 B 0.13525374525578 0.22724048850602 0.16181161916993 10.811 > 21 22 B 0.63525374525578 0.22724048850602 0.16181161916993 10.811 > 21 23 B 0.13525374525578 0.22724048850602 0.66181161916993 10.811 > 21 24 B 0.63525374525578 0.22724048850602 0.66181161916993 10.811 > 21 25 B 0.13525374525578 0.27275951149398 0.41181161916993 10.811 > 25 26 B 0.63525374525578 0.27275951149398 0.41181161916993 10.811 > 25 27 B 0.13525374525578 0.27275951149398 0.91181161916993 10.811 > 25 28 B 0.63525374525578 0.27275951149398 0.91181161916993 10.811 > 25 29 B 0.36474625474422 0.77275951149398 0.33818838083007 10.811 > 29 30 B 0.86474625474422 0.77275951149398 0.33818838083007 10.811 > 29 31 B 0.36474625474422 0.77275951149398 0.83818838083007 10.811 > 29 32 B 0.86474625474422 0.77275951149398 0.83818838083007 10.811 > 29 33 S 0.36733949831694 0.49293358138781 0.32217456983465 32.065 > 33 34 S 0.86733949831694 0.49293358138781 0.32217456983465 32.065 > 33 35 S 0.36733949831694 0.49293358138781 0.82217456983465 32.065 > 33 36 S 0.86733949831694 0.49293358138781 0.82217456983465 32.065 > 33 37 S 0.45821419507775 0.73873526218782 0.49527881145250 32.065 > 37 38 S 0.95821419507775 0.73873526218782 0.49527881145250 32.065 > 37 39 S 0.45821419507775 0.73873526218782 0.99527881145250 32.065 > 37 40 S 0.95821419507775 0.73873526218782 0.99527881145250 32.065 > 37 41 S 0.45821419507775 0.76126473781218 0.24527881145250 32.065 > 41 42 S 0.95821419507775 0.76126473781218 0.24527881145250 32.065 > 41 43 S 0.45821419507775 0.76126473781218 0.74527881145250 32.065 > 41 44 S 0.95821419507775 0.76126473781218 0.74527881145250 32.065 > 41 45 S 0.04178580492225 0.23873526218782 0.25472118854750 32.065 > 45 46 S 0.54178580492225 0.23873526218782 0.25472118854750 32.065 > 45 47 S 0.04178580492225 0.23873526218782 0.75472118854750 32.065 > 45 48 S 0.54178580492225 0.23873526218782 0.75472118854750 32.065 > 45 49 S 0.18514834129523 0.09852362801515 0.16728062386696 32.065 > 49 50 S 0.68514834129523 0.09852362801515 0.16728062386696 32.065 > 49 51 S 0.18514834129523 0.09852362801515 0.66728062386696 32.065 > 49 52 S 0.68514834129523 0.09852362801515 0.66728062386696 32.065 > 49 53 S 0.31485165870477 0.59852362801515 0.08271937613304 32.065 > 53 54 S 0.81485165870477 0.59852362801515 0.08271937613304 32.065 > 53 55 S 0.31485165870477 0.59852362801515 0.58271937613304 32.065 > 53 56 S 0.81485165870477 0.59852362801515 0.58271937613304 32.065 > 53 57 S 0.31485165870477 0.90147637198485 0.33271937613304 32.065 > 57 58 S 0.81485165870477 0.90147637198485 0.33271937613304 32.065 > 57 59 S 0.31485165870477 0.90147637198485 0.83271937613304 32.065 > 57 60 S 0.81485165870477 0.90147637198485 0.83271937613304 32.065 > 57 61 S 0.18514834129523 0.40147637198485 0.41728062386696 32.065 > 61 62 S 0.68514834129523 0.40147637198485 0.41728062386696 32.065 > 61 63 S 0.18514834129523 0.40147637198485 0.91728062386696 32.065 > 61 64 S 0.68514834129523 0.40147637198485 0.91728062386696 32.065 > 61 65 S 0.26520400850530 0.19678831758439 0.47200213457315 32.065 > 65 66 S 0.76520400850530 0.19678831758439 0.47200213457315 32.065 > 65 67 S 0.26520400850530 0.19678831758439 0.97200213457315 32.065 > 65 68 S 0.76520400850530 0.19678831758439 0.97200213457315 32.065 > 65 69 S 0.23479599149471 0.69678831758439 0.27799786542685 32.065 > 69 70 S 0.73479599149470 0.69678831758439 0.27799786542685 32.065 > 69 71 S 0.23479599149471 0.69678831758439 0.77799786542685 32.065 > 69 72 S 0.73479599149470 0.69678831758439 0.77799786542685 32.065 > 69 73 S 0.23479599149471 0.80321168241561 0.02799786542685 32.065 > 73 74 S 0.73479599149470 0.80321168241561 0.02799786542685 32.065 > 73 75 S 0.23479599149471 0.80321168241561 0.52799786542685 32.065 > 73 76 S 0.73479599149470 0.80321168241561 0.52799786542685 32.065 > 73 77 S 0.26520400850530 0.30321168241561 0.22200213457314 32.065 > 77 78 S 0.76520400850530 0.30321168241561 0.22200213457314 32.065 > 77 79 S 0.26520400850530 0.30321168241561 0.72200213457314 32.065 > 77 80 S 0.76520400850530 0.30321168241561 0.72200213457314 32.065 > 77 81 S 0.13266050168307 0.50706641861219 0.17782543016535 32.065 > 81 82 S 0.63266050168306 0.50706641861219 0.17782543016535 32.065 > 81 83 S 0.13266050168307 0.50706641861219 0.67782543016535 32.065 > 81 84 S 0.63266050168306 0.50706641861219 0.67782543016535 32.065 > 81 85 S 0.36733949831694 0.00706641861219 0.07217456983465 32.065 > 85 86 S 0.86733949831694 0.00706641861219 0.07217456983465 32.065 > 85 87 S 0.36733949831694 0.00706641861219 0.57217456983465 32.065 > 85 88 S 0.86733949831694 0.00706641861219 0.57217456983465 32.065 > 85 89 S 0.04178580492225 0.26126473781218 0.00472118854750 32.065 > 89 90 S 0.54178580492225 0.26126473781218 0.00472118854750 32.065 > 89 91 S 0.04178580492225 0.26126473781218 0.50472118854750 32.065 > 89 92 S 0.54178580492225 0.26126473781218 0.50472118854750 32.065 > 89 93 S 0.13266050168307 0.99293358138781 0.42782543016535 32.065 > 93 94 S 0.63266050168306 0.99293358138781 0.42782543016535 32.065 > 93 95 S 0.13266050168307 0.99293358138781 0.92782543016535 32.065 > 93 96 S 0.63266050168306 0.99293358138781 0.92782543016535 32.065 > 93 97 Sr 0.40605782606366 0.39671576628379 0.09972902480731 87.620 > 97 98 Sr 0.90605782606366 0.39671576628379 0.09972902480731 87.620 > 97 99 Sr 0.40605782606366 0.39671576628379 0.59972902480731 87.620 > 97 100 Sr 0.90605782606366 0.39671576628379 0.59972902480731 87.620 > 97 101 Sr 0.09394217393634 0.89671576628379 0.15027097519269 87.620 > 101 102 Sr 0.59394217393634 0.89671576628379 0.15027097519269 87.620 > 101 103 Sr 0.09394217393634 0.89671576628379 0.65027097519269 87.620 > 101 104 Sr 0.59394217393634 0.89671576628379 0.65027097519269 87.620 > 101 105 Sr 0.09394217393634 0.60328423371621 0.40027097519269 87.620 > 105 106 Sr 0.59394217393634 0.60328423371621 0.40027097519269 87.620 > 105 107 Sr 0.09394217393634 0.60328423371621 0.90027097519269 87.620 > 105 108 Sr 0.59394217393634 0.60328423371621 0.90027097519269 87.620 > 105 109 Sr 0.40605782606366 0.10328423371621 0.34972902480731 87.620 > 109 110 Sr 0.90605782606366 0.10328423371621 0.34972902480731 87.620 > 109 111 Sr 0.40605782606366 0.10328423371621 0.84972902480731 87.620 > 109 112 Sr 0.90605782606366 0.10328423371621 0.84972902480731 87.620 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1483533 0.0000000 -0.2109779 0.0000000 5.7211783 0.0000000 -0.2109767 0.0000000 5.3851838 -------------------------- Born effective charges -------------------------- 1 B 1.2062309 0.0979027 -0.3313785 0.0752619 2.1890912 -0.4511997 -0.4192430 -0.1659841 1.3147238 2 B 1.2062309 -0.0979027 -0.3313785 -0.0752619 2.1890912 0.4511997 -0.4192430 0.1659841 1.3147238 3 B 1.2062309 0.0979027 -0.3313785 0.0752619 2.1890912 -0.4511997 -0.4192430 -0.1659841 1.3147238 4 B 1.2062309 -0.0979027 -0.3313785 -0.0752619 2.1890912 0.4511997 -0.4192430 0.1659841 1.3147238 5 B 1.0573799 0.2125472 -0.0852425 0.0014112 1.6640933 -0.1294038 -0.0272735 -0.1875059 1.7058689 6 B 1.0573799 -0.2125472 -0.0852425 -0.0014112 1.6640933 0.1294038 -0.0272735 0.1875059 1.7058689 7 B 1.0573799 0.2125472 -0.0852425 0.0014112 1.6640933 -0.1294038 -0.0272735 -0.1875059 1.7058689 8 B 1.0573799 -0.2125472 -0.0852425 -0.0014112 1.6640933 0.1294038 -0.0272735 0.1875059 1.7058689 9 S -1.6614082 -0.3031905 -0.2154584 -0.3459550 -1.8549216 0.3556378 -0.1448043 0.2074540 -1.3280104 10 S -1.2923346 0.0756868 0.2202975 -0.0150246 -1.0606822 -0.0086141 0.2812766 -0.0476565 -1.8155053 11 S -1.2923346 -0.0756868 0.2202975 0.0150246 -1.0606822 0.0086141 0.2812766 0.0476565 -1.8155053 12 S -1.2923346 -0.0756868 0.2202975 0.0150246 -1.0606822 0.0086141 0.2812766 0.0476565 -1.8155053 13 S -1.0448753 0.1854179 0.1850722 0.1790577 -1.8416422 -0.3088781 0.1722331 -0.1576924 -1.3480258 14 S -1.0448753 -0.1854179 0.1850722 -0.1790577 -1.8416422 0.3088781 0.1722331 0.1576924 -1.3480258 15 S -1.0448753 0.1854179 0.1850722 0.1790577 -1.8416422 -0.3088781 0.1722331 -0.1576924 -1.3480258 16 S -1.0448753 -0.1854179 0.1850722 -0.1790577 -1.8416422 0.3088781 0.1722331 0.1576924 -1.3480258 17 S -1.2228352 0.1292857 0.1460506 0.0533580 -1.7616059 0.1831490 -0.0052325 0.2369734 -1.0205436 18 S -1.2228352 -0.1292857 0.1460506 -0.0533580 -1.7616059 -0.1831490 -0.0052325 -0.2369734 -1.0205436 19 S -1.2228352 0.1292857 0.1460506 0.0533580 -1.7616059 0.1831490 -0.0052325 0.2369734 -1.0205436 20 S -1.2228352 -0.1292857 0.1460506 -0.0533580 -1.7616059 -0.1831490 -0.0052325 -0.2369734 -1.0205436 21 S -1.6614082 -0.3031905 -0.2154584 -0.3459550 -1.8549216 0.3556378 -0.1448043 0.2074540 -1.3280104 22 S -1.6614082 0.3031905 -0.2154584 0.3459550 -1.8549216 -0.3556378 -0.1448043 -0.2074540 -1.3280104 23 S -1.2923346 0.0756868 0.2202975 -0.0150246 -1.0606822 -0.0086141 0.2812766 -0.0476565 -1.8155053 24 S -1.6614082 0.3031905 -0.2154584 0.3459550 -1.8549216 -0.3556378 -0.1448043 -0.2074540 -1.3280104 25 Sr 2.9578425 -0.2738166 0.0806592 -0.0806028 2.6656675 0.0177133 0.1430436 0.0273041 2.4914925 26 Sr 2.9578425 0.2738166 0.0806592 0.0806028 2.6656675 -0.0177133 0.1430436 -0.0273041 2.4914925 27 Sr 2.9578425 -0.2738166 0.0806592 -0.0806028 2.6656675 0.0177133 0.1430436 0.0273041 2.4914925 28 Sr 2.9578425 0.2738166 0.0806592 0.0806028 2.6656675 -0.0177133 0.1430436 -0.0273041 2.4914925 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 8 4 9 ] 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: 0.52, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/111) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 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 1.329 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.069 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 11.230 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.711 ( 0.000 0.000 0.000) 0.000 12.029 ( 0.000 0.000 0.000) 0.000 12.084 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 15.944 ( 0.000 0.000 0.000) 0.000 16.008 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 18.342 ( 0.000 0.000 0.000) 0.000 18.637 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 18.925 ( 0.000 0.000 0.000) 0.000 19.364 ( 0.000 0.000 0.000) 0.000 19.408 ( 0.000 0.000 0.000) 0.000 19.510 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 19.971 ( 0.000 0.000 0.000) 0.000 20.038 ( 0.000 0.000 0.000) 0.000 20.137 ( 0.000 0.000 0.000) 0.000 20.434 ( 0.000 0.000 0.000) 0.000 20.467 ( 0.000 0.000 0.000) 0.000 21.085 ( 0.000 0.000 0.000) 0.000 21.371 ( 0.000 0.000 0.000) 0.000 22.391 ( 0.000 0.000 0.000) 0.000 22.406 ( 0.000 0.000 0.000) 0.000 22.673 ( 0.000 0.000 0.000) 0.000 22.701 ( 0.000 0.000 0.000) 0.000 23.202 ( 0.000 0.000 0.000) 0.000 23.246 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/111) ======================= q-point: ( 0.12 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 24.273 0.000 -3.204) 24.483 0.569 ( 27.910 0.000 2.048) 27.985 1.000 ( 47.308 0.000 6.392) 47.738 1.388 ( 3.295 0.000 7.167) 7.888 1.576 ( -7.065 0.000 -4.131) 8.184 1.868 ( 2.687 0.000 -0.307) 2.704 2.184 ( 4.626 0.000 -10.355) 11.341 2.299 ( -1.487 0.000 6.756) 6.918 2.501 ( -1.249 0.000 0.855) 1.514 2.676 ( 2.808 0.000 -9.777) 10.172 2.749 ( 1.207 0.000 -3.006) 3.239 2.967 ( -5.387 0.000 -3.787) 6.585 3.024 ( -5.359 0.000 14.907) 15.841 3.170 ( -6.421 0.000 -5.099) 8.199 3.480 ( -0.733 0.000 4.294) 4.356 3.572 ( -6.901 0.000 -1.777) 7.126 3.741 ( 5.929 0.000 -2.880) 6.591 3.824 ( -2.158 0.000 -2.345) 3.187 3.954 ( -1.097 0.000 2.254) 2.507 4.108 ( 1.205 0.000 0.490) 1.301 4.446 ( 6.967 0.000 4.375) 8.226 4.739 ( -4.001 0.000 -6.546) 7.672 4.888 ( -0.553 0.000 0.426) 0.698 5.095 ( 2.171 0.000 0.247) 2.185 5.143 ( -1.843 0.000 5.352) 5.661 5.463 ( -0.645 0.000 0.504) 0.818 5.681 ( 2.075 0.000 -0.962) 2.287 5.790 ( 0.457 0.000 2.219) 2.265 5.865 ( 1.312 0.000 -8.325) 8.427 6.227 ( 2.042 0.000 0.267) 2.059 6.712 ( -1.223 0.000 1.642) 2.047 6.763 ( 0.570 0.000 1.333) 1.450 6.883 ( 0.956 0.000 -2.821) 2.978 6.955 ( 3.131 0.000 -3.635) 4.798 7.004 ( 1.219 0.000 -0.306) 1.257 7.130 ( -1.325 0.000 0.712) 1.504 7.364 ( -1.989 0.000 1.423) 2.446 7.367 ( 1.156 0.000 1.657) 2.020 7.370 ( 1.811 0.000 0.374) 1.849 7.761 ( -1.128 0.000 3.006) 3.211 8.084 ( 0.097 0.000 1.665) 1.668 8.408 ( -0.742 0.000 2.585) 2.689 8.416 ( 1.816 0.000 -3.598) 4.031 8.506 ( 0.527 0.000 -2.017) 2.085 8.728 ( -0.683 0.000 1.736) 1.865 8.967 ( 0.882 0.000 2.237) 2.405 9.062 ( -0.599 0.000 -0.558) 0.819 9.230 ( 3.582 0.000 -7.092) 7.945 9.238 ( -1.590 0.000 7.340) 7.510 9.871 ( 0.155 0.000 0.096) 0.183 10.391 ( 0.009 0.000 0.681) 0.681 11.217 ( -1.145 0.000 -0.095) 1.149 11.554 ( -1.050 0.000 -0.265) 1.083 11.704 ( -0.572 0.000 -0.273) 0.634 12.021 ( -0.961 0.000 0.461) 1.066 12.074 ( -1.014 0.000 -0.049) 1.015 12.659 ( -0.881 0.000 -0.545) 1.036 12.763 ( -0.676 0.000 -0.117) 0.686 12.773 ( -1.107 0.000 -0.163) 1.119 12.824 ( -1.659 0.000 -0.246) 1.677 15.946 ( 0.269 0.000 -0.259) 0.373 16.012 ( 0.413 0.000 -0.011) 0.413 17.909 ( -0.409 0.000 0.741) 0.846 18.400 ( -10.004 0.000 18.063) 20.648 18.671 ( 3.115 0.000 0.454) 3.148 18.873 ( -0.540 0.000 1.465) 1.562 18.935 ( 1.301 0.000 -4.249) 4.444 19.365 ( 0.140 0.000 0.038) 0.145 19.476 ( -4.057 0.000 1.750) 4.418 19.511 ( 0.066 0.000 -0.007) 0.067 19.856 ( 1.340 0.000 -3.710) 3.945 19.973 ( -0.009 0.000 0.460) 0.460 20.052 ( 0.658 0.000 -7.871) 7.898 20.102 ( -2.758 0.000 -1.279) 3.040 20.457 ( 2.482 0.000 -0.687) 2.576 20.511 ( 4.158 0.000 -0.261) 4.167 21.064 ( -2.019 0.000 0.007) 2.019 21.368 ( -0.042 0.000 -0.855) 0.856 22.313 ( -4.772 0.000 -2.130) 5.226 22.416 ( -2.483 0.000 2.149) 3.284 22.632 ( -4.900 0.000 1.995) 5.290 22.695 ( 0.935 0.000 -3.154) 3.290 23.250 ( 3.901 0.000 1.314) 4.116 23.541 ( 3.566 0.000 -10.357) 10.954 ======================= Grid point 2 (3/111) ======================= q-point: ( 0.25 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 22.094 0.000 -2.671) 22.255 1.105 ( 25.987 0.000 1.397) 26.025 1.423 ( -3.406 0.000 -5.731) 6.667 1.515 ( 3.664 0.000 10.852) 11.454 1.887 ( 29.236 0.000 4.886) 29.641 1.947 ( 13.317 0.000 -0.847) 13.343 2.134 ( -1.838 0.000 -12.668) 12.801 2.329 ( -0.759 0.000 5.917) 5.965 2.483 ( -1.513 0.000 2.242) 2.705 2.656 ( -0.247 0.000 -2.529) 2.541 2.761 ( 1.587 0.000 -0.727) 1.746 2.793 ( -9.397 0.000 -2.010) 9.610 2.920 ( -13.401 0.000 -7.478) 15.346 3.007 ( -3.752 0.000 6.157) 7.210 3.387 ( -7.925 0.000 -7.614) 10.990 3.520 ( 1.562 0.000 3.393) 3.735 3.758 ( -2.242 0.000 -2.077) 3.056 3.872 ( 7.862 0.000 0.052) 7.862 3.966 ( 0.349 0.000 3.375) 3.393 4.125 ( 0.285 0.000 -0.458) 0.539 4.594 ( -5.836 0.000 -6.133) 8.466 4.666 ( 10.836 0.000 6.109) 12.439 4.877 ( -0.970 0.000 0.978) 1.377 5.105 ( -3.967 0.000 3.767) 5.470 5.141 ( 1.156 0.000 -1.854) 2.185 5.456 ( -0.433 0.000 0.700) 0.823 5.722 ( 2.727 0.000 -1.334) 3.035 5.807 ( -2.201 0.000 2.314) 3.194 5.833 ( 1.226 0.000 -2.753) 3.013 6.274 ( 2.149 0.000 0.729) 2.270 6.727 ( 1.284 0.000 2.836) 3.114 6.784 ( 0.328 0.000 2.092) 2.118 6.878 ( 0.679 0.000 -3.570) 3.634 6.978 ( 2.475 0.000 -5.878) 6.378 7.032 ( 2.139 0.000 -1.053) 2.385 7.102 ( -1.842 0.000 0.473) 1.902 7.330 ( -2.467 0.000 1.834) 3.074 7.401 ( 1.393 0.000 0.525) 1.489 7.418 ( 1.775 0.000 1.760) 2.499 7.764 ( -0.081 0.000 1.305) 1.307 8.097 ( -0.263 0.000 2.276) 2.292 8.408 ( -0.923 0.000 2.457) 2.625 8.434 ( 2.621 0.000 -4.055) 4.829 8.501 ( 0.077 0.000 -1.084) 1.086 8.732 ( -0.126 0.000 1.897) 1.901 9.010 ( 1.239 0.000 3.285) 3.511 9.039 ( -1.138 0.000 -1.041) 1.542 9.256 ( 4.465 0.000 -7.934) 9.104 9.266 ( -1.286 0.000 8.262) 8.362 9.874 ( 0.000 0.000 0.144) 0.144 10.395 ( -0.314 0.000 0.913) 0.965 11.191 ( -1.274 0.000 0.031) 1.274 11.526 ( -1.496 0.000 -0.337) 1.533 11.687 ( -0.833 0.000 -0.379) 0.915 12.002 ( -1.352 0.000 0.738) 1.541 12.047 ( -1.606 0.000 -0.088) 1.609 12.636 ( -0.976 0.000 -0.550) 1.120 12.744 ( -1.369 0.000 -0.275) 1.396 12.744 ( -1.269 0.000 -0.258) 1.295 12.781 ( -2.290 0.000 -0.349) 2.317 15.951 ( 0.451 0.000 -0.355) 0.574 16.022 ( 0.629 0.000 -0.023) 0.629 17.902 ( -0.889 0.000 0.937) 1.291 18.310 ( -7.725 0.000 6.326) 9.985 18.752 ( 4.380 0.000 0.655) 4.429 18.872 ( -0.818 0.000 2.127) 2.279 18.926 ( 0.050 0.000 -1.975) 1.976 19.369 ( 0.171 0.000 0.060) 0.181 19.418 ( -2.818 0.000 2.389) 3.694 19.514 ( 0.385 0.000 -0.059) 0.389 19.851 ( 1.292 0.000 -4.844) 5.014 19.977 ( -0.445 0.000 1.536) 1.599 19.999 ( -2.013 0.000 -2.674) 3.347 20.030 ( -2.737 0.000 -2.403) 3.642 20.510 ( 3.302 0.000 -1.189) 3.510 20.603 ( 5.057 0.000 -0.365) 5.070 21.015 ( -2.753 0.000 -0.082) 2.754 21.354 ( -0.668 0.000 -1.136) 1.318 22.212 ( -3.747 0.000 -2.138) 4.314 22.354 ( -4.078 0.000 -0.175) 4.082 22.535 ( -5.209 0.000 0.130) 5.211 22.692 ( 0.392 0.000 -1.351) 1.407 23.345 ( 4.196 0.000 1.885) 4.600 23.534 ( 1.358 0.000 -5.161) 5.337 ======================= Grid point 3 (4/111) ======================= q-point: ( 0.38 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 16.326 0.000 -2.177) 16.471 1.406 ( 5.259 0.000 -2.674) 5.900 1.597 ( 23.642 0.000 1.092) 23.667 1.631 ( 0.357 0.000 8.808) 8.816 1.931 ( -10.074 0.000 -9.773) 14.035 2.008 ( 3.709 0.000 0.686) 3.772 2.333 ( -2.386 0.000 -0.155) 2.391 2.433 ( 10.239 0.000 -1.798) 10.396 2.464 ( -3.582 0.000 4.218) 5.534 2.542 ( -15.460 0.000 1.130) 15.501 2.629 ( -0.007 0.000 -0.751) 0.751 2.680 ( -3.603 0.000 -6.088) 7.074 2.853 ( 5.008 0.000 9.389) 10.641 3.017 ( 3.971 0.000 -1.384) 4.205 3.195 ( -3.416 0.000 -9.956) 10.526 3.571 ( 1.594 0.000 1.306) 2.061 3.715 ( -1.323 0.000 0.078) 1.325 4.009 ( 1.515 0.000 2.942) 3.309 4.037 ( 8.343 0.000 1.654) 8.505 4.111 ( -0.913 0.000 -1.380) 1.655 4.429 ( -7.821 0.000 -3.763) 8.679 4.848 ( 0.662 0.000 0.235) 0.703 4.921 ( 6.893 0.000 5.000) 8.516 5.011 ( -6.101 0.000 0.577) 6.129 5.147 ( 0.533 0.000 -1.459) 1.553 5.456 ( -0.124 0.000 0.597) 0.609 5.758 ( 1.717 0.000 -1.097) 2.037 5.768 ( -1.946 0.000 1.058) 2.215 5.851 ( 0.957 0.000 -0.677) 1.173 6.311 ( 0.995 0.000 0.793) 1.273 6.790 ( 3.072 0.000 -0.198) 3.079 6.807 ( -0.326 0.000 6.078) 6.086 6.862 ( 0.169 0.000 -2.523) 2.528 6.968 ( 0.966 0.000 -6.326) 6.399 7.065 ( 1.691 0.000 -0.869) 1.901 7.068 ( -1.936 0.000 0.657) 2.045 7.301 ( -1.488 0.000 1.121) 1.863 7.424 ( 0.889 0.000 -0.488) 1.014 7.452 ( 0.477 0.000 1.609) 1.678 7.774 ( 0.275 0.000 0.635) 0.692 8.104 ( -0.394 0.000 1.617) 1.664 8.410 ( -0.304 0.000 1.589) 1.618 8.455 ( 1.860 0.000 -2.820) 3.378 8.495 ( -0.032 0.000 -0.632) 0.633 8.748 ( 0.389 0.000 1.414) 1.466 9.008 ( -1.090 0.000 -0.999) 1.479 9.052 ( 0.852 0.000 2.402) 2.549 9.284 ( 2.622 0.000 -4.152) 4.910 9.299 ( -0.157 0.000 4.372) 4.375 9.873 ( -0.124 0.000 0.111) 0.166 10.392 ( -0.423 0.000 0.623) 0.753 11.172 ( -0.731 0.000 0.119) 0.741 11.497 ( -1.071 0.000 -0.227) 1.095 11.670 ( -0.605 0.000 -0.262) 0.659 11.984 ( -0.898 0.000 0.639) 1.102 12.016 ( -1.320 0.000 -0.128) 1.326 12.618 ( -0.510 0.000 -0.291) 0.587 12.713 ( -1.220 0.000 -0.319) 1.261 12.724 ( -0.789 0.000 -0.188) 0.811 12.740 ( -1.505 0.000 -0.210) 1.520 15.957 ( 0.368 0.000 -0.241) 0.440 16.034 ( 0.493 0.000 -0.017) 0.493 17.890 ( -0.778 0.000 0.599) 0.981 18.212 ( -4.904 0.000 2.131) 5.347 18.832 ( 3.009 0.000 0.453) 3.043 18.872 ( -0.605 0.000 1.686) 1.792 18.912 ( -0.234 0.000 -1.058) 1.084 19.371 ( -0.035 0.000 0.011) 0.037 19.403 ( -0.552 0.000 1.714) 1.801 19.525 ( 0.649 0.000 -0.034) 0.650 19.839 ( 0.711 0.000 -4.011) 4.074 19.948 ( -1.886 0.000 -0.242) 1.901 19.961 ( -2.355 0.000 1.679) 2.892 19.991 ( 0.520 0.000 -2.112) 2.175 20.557 ( 2.185 0.000 -0.996) 2.401 20.685 ( 3.211 0.000 -0.268) 3.222 20.967 ( -1.844 0.000 -0.136) 1.849 21.330 ( -0.972 0.000 -0.726) 1.213 22.145 ( -1.879 0.000 -1.134) 2.195 22.278 ( -2.933 0.000 -0.626) 2.999 22.453 ( -2.944 0.000 -0.143) 2.947 22.691 ( 0.083 0.000 -0.460) 0.468 23.427 ( 2.710 0.000 2.092) 3.424 23.520 ( 0.199 0.000 -3.354) 3.360 ======================= Grid point 4 (5/111) ======================= q-point: (-0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 -0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 -0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.445 ( -0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 -0.000) 0.000 2.974 ( -0.000 0.000 -0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 -0.000) 0.000 3.705 ( 0.000 0.000 -0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.208 ( -0.000 0.000 -0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 -0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 -0.000) 0.000 5.753 ( 0.000 0.000 -0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 -0.000) 0.000 6.853 ( 0.000 0.000 -0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 -0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.430 ( -0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 -0.000) 0.000 7.779 ( 0.000 0.000 -0.000) 0.000 8.106 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 -0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 -0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.295 ( -0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 -0.000) 0.000 9.872 ( 0.000 0.000 -0.000) 0.000 10.390 ( 0.000 0.000 -0.000) 0.000 11.165 ( 0.000 0.000 -0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 -0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.612 ( 0.000 0.000 -0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.715 ( 0.000 0.000 -0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 16.039 ( 0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 18.169 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 0.000) 0.000 18.872 ( 0.000 0.000 -0.000) 0.000 18.905 ( 0.000 0.000 0.000) 0.000 19.370 ( 0.000 0.000 0.000) 0.000 19.406 ( 0.000 0.000 0.000) 0.000 19.532 ( 0.000 0.000 0.000) 0.000 19.829 ( 0.000 0.000 -0.000) 0.000 19.929 ( 0.000 0.000 -0.000) 0.000 19.942 ( 0.000 0.000 -0.000) 0.000 19.990 ( 0.000 0.000 0.000) 0.000 20.576 ( 0.000 0.000 -0.000) 0.000 20.716 ( 0.000 0.000 -0.000) 0.000 20.948 ( 0.000 0.000 0.000) 0.000 21.316 ( 0.000 0.000 -0.000) 0.000 22.123 ( 0.000 0.000 -0.000) 0.000 22.246 ( 0.000 0.000 0.000) 0.000 22.423 ( 0.000 0.000 0.000) 0.000 22.690 ( 0.000 0.000 -0.000) 0.000 23.470 ( 0.000 0.000 0.000) 0.000 23.501 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/111) ======================= q-point: ( 0.00 0.25 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 23.029 0.000) 23.029 0.605 ( 0.000 32.934 0.000) 32.934 1.016 ( 0.000 46.492 0.000) 46.492 1.165 ( 0.000 -9.624 0.000) 9.624 1.589 ( 0.000 -15.420 0.000) 15.420 2.047 ( 0.000 10.572 0.000) 10.572 2.135 ( 0.000 -2.513 0.000) 2.513 2.321 ( 0.000 2.782 0.000) 2.782 2.455 ( 0.000 -6.258 0.000) 6.258 2.556 ( 0.000 -9.298 0.000) 9.298 2.790 ( 0.000 4.651 0.000) 4.651 2.896 ( 0.000 -3.682 0.000) 3.682 3.030 ( 0.000 -2.584 0.000) 2.584 3.183 ( 0.000 -10.961 0.000) 10.961 3.444 ( 0.000 -3.890 0.000) 3.890 3.636 ( 0.000 -0.650 0.000) 0.650 3.817 ( 0.000 -3.531 0.000) 3.531 3.937 ( 0.000 -21.114 0.000) 21.114 4.097 ( 0.000 -2.297 0.000) 2.297 4.123 ( 0.000 15.649 0.000) 15.649 4.245 ( 0.000 3.645 0.000) 3.645 4.559 ( 0.000 8.536 0.000) 8.536 4.737 ( 0.000 -6.527 0.000) 6.527 4.802 ( 0.000 -1.783 0.000) 1.783 5.387 ( 0.000 4.668 0.000) 4.668 5.513 ( 0.000 -8.508 0.000) 8.508 5.544 ( 0.000 21.509 0.000) 21.509 5.870 ( 0.000 8.049 0.000) 8.049 5.913 ( 0.000 4.602 0.000) 4.602 6.258 ( 0.000 7.450 0.000) 7.450 6.641 ( 0.000 1.008 0.000) 1.008 6.701 ( 0.000 -24.350 0.000) 24.350 6.739 ( 0.000 -0.823 0.000) 0.823 6.850 ( 0.000 -4.878 0.000) 4.878 6.918 ( 0.000 -3.172 0.000) 3.172 6.962 ( 0.000 -12.780 0.000) 12.780 7.256 ( 0.000 0.568 0.000) 0.568 7.344 ( 0.000 -1.568 0.000) 1.568 7.763 ( 0.000 2.866 0.000) 2.866 7.768 ( 0.000 22.168 0.000) 22.168 7.974 ( 0.000 -8.062 0.000) 8.062 8.391 ( 0.000 -11.076 0.000) 11.076 8.557 ( 0.000 11.016 0.000) 11.016 8.603 ( 0.000 17.485 0.000) 17.485 8.764 ( 0.000 3.852 0.000) 3.852 8.983 ( 0.000 3.374 0.000) 3.374 9.029 ( 0.000 -4.336 0.000) 4.336 9.203 ( 0.000 -1.859 0.000) 1.859 9.215 ( 0.000 -1.114 0.000) 1.114 9.593 ( 0.000 -23.810 0.000) 23.810 10.642 ( 0.000 17.648 0.000) 17.648 11.152 ( 0.000 -8.515 0.000) 8.515 11.588 ( 0.000 2.273 0.000) 2.273 11.689 ( 0.000 -2.309 0.000) 2.309 12.080 ( 0.000 0.356 0.000) 0.356 12.086 ( 0.000 0.078 0.000) 0.078 12.680 ( 0.000 1.344 0.000) 1.344 12.745 ( 0.000 -1.898 0.000) 1.898 12.810 ( 0.000 1.267 0.000) 1.267 12.839 ( 0.000 -0.371 0.000) 0.371 15.953 ( 0.000 0.942 0.000) 0.942 15.998 ( 0.000 -1.048 0.000) 1.048 18.299 ( 0.000 1.150 0.000) 1.150 18.337 ( 0.000 -0.546 0.000) 0.546 18.875 ( 0.000 0.370 0.000) 0.370 18.913 ( 0.000 -1.272 0.000) 1.272 19.271 ( 0.000 1.392 0.000) 1.392 19.338 ( 0.000 -1.994 0.000) 1.994 19.440 ( 0.000 2.662 0.000) 2.662 19.529 ( 0.000 -1.830 0.000) 1.830 19.886 ( 0.000 3.128 0.000) 3.128 20.012 ( 0.000 -2.727 0.000) 2.727 20.141 ( 0.000 0.571 0.000) 0.571 20.185 ( 0.000 -1.421 0.000) 1.421 20.442 ( 0.000 0.785 0.000) 0.785 20.465 ( 0.000 -0.317 0.000) 0.317 21.142 ( 0.000 3.896 0.000) 3.896 21.328 ( 0.000 -4.463 0.000) 4.463 22.396 ( 0.000 0.401 0.000) 0.401 22.406 ( 0.000 -0.067 0.000) 0.067 22.738 ( 0.000 3.873 0.000) 3.873 22.907 ( 0.000 -3.751 0.000) 3.751 23.211 ( 0.000 0.874 0.000) 0.874 23.241 ( 0.000 -0.571 0.000) 0.571 ======================= Grid point 10 (7/111) ======================= q-point: ( 0.12 0.25 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 17.304 17.570 1.610) 24.713 0.783 ( 16.814 20.998 2.335) 27.002 1.216 ( 6.203 -11.294 5.670) 14.078 1.379 ( 26.749 25.779 -0.247) 37.150 1.619 ( 4.121 -2.015 1.393) 4.795 1.862 ( -6.318 8.701 -5.456) 12.058 2.117 ( 1.458 -7.169 -11.213) 13.388 2.327 ( -1.428 2.609 5.275) 6.055 2.465 ( -1.383 -3.785 1.999) 4.498 2.614 ( 5.391 -8.906 -3.268) 10.911 2.792 ( -1.226 4.926 1.570) 5.314 2.885 ( -4.157 -5.169 6.130) 9.032 3.010 ( -2.328 0.692 -6.345) 6.794 3.199 ( 2.045 -10.996 -1.329) 11.264 3.384 ( -4.085 3.239 0.064) 5.214 3.601 ( -1.613 0.569 -4.050) 4.396 3.770 ( -3.216 -5.169 -2.113) 6.444 3.969 ( -5.876 13.840 -1.832) 15.147 4.005 ( 1.699 -7.209 1.587) 7.575 4.141 ( -0.179 7.244 5.805) 9.285 4.183 ( 1.526 -11.577 0.087) 11.677 4.720 ( 3.064 0.851 -0.737) 3.264 4.758 ( -1.641 -6.880 -2.374) 7.461 4.905 ( 8.026 -13.343 6.072) 16.713 5.406 ( 0.646 5.729 -1.213) 5.891 5.533 ( 1.706 -3.383 0.096) 3.790 5.561 ( 0.831 14.972 2.343) 15.177 5.875 ( 0.811 6.215 -2.178) 6.635 5.925 ( 0.667 4.707 0.852) 4.830 6.270 ( 0.927 6.498 0.833) 6.617 6.660 ( -1.969 -12.489 4.286) 13.350 6.720 ( 3.163 -13.471 -2.704) 14.099 6.749 ( 0.726 -0.874 1.111) 1.589 6.881 ( 2.415 -4.830 -2.479) 5.942 6.937 ( 3.012 -3.053 -3.379) 5.460 6.956 ( 0.072 -11.744 -1.203) 11.806 7.269 ( 0.853 2.405 2.031) 3.261 7.366 ( 1.721 -1.300 0.755) 2.285 7.748 ( -3.600 14.863 7.404) 16.991 7.791 ( 2.763 9.979 -4.437) 11.265 7.980 ( 0.214 -8.113 1.006) 8.178 8.394 ( 0.398 -11.346 -0.615) 11.370 8.549 ( -0.358 11.700 1.043) 11.752 8.611 ( 0.420 17.822 -0.294) 17.830 8.758 ( -0.913 3.032 1.383) 3.456 8.999 ( 0.524 2.577 1.922) 3.257 9.020 ( -0.288 -4.030 -1.434) 4.287 9.214 ( 1.682 -1.656 -1.649) 2.879 9.225 ( 0.313 -0.899 2.164) 2.364 9.594 ( 0.058 -23.798 -0.142) 23.798 10.623 ( -0.910 18.273 0.210) 18.297 11.140 ( -1.074 -8.495 -0.080) 8.563 11.577 ( -0.984 2.355 -0.245) 2.564 11.681 ( -0.646 -2.379 -0.252) 2.478 12.050 ( -1.947 1.747 -0.005) 2.616 12.074 ( -1.087 -0.035 -0.071) 1.089 12.671 ( -0.814 1.294 -0.381) 1.576 12.737 ( -0.723 -1.950 -0.125) 2.083 12.794 ( -1.270 1.287 -0.316) 1.836 12.822 ( -1.604 -0.306 -0.214) 1.647 15.955 ( 0.274 0.985 -0.160) 1.035 16.002 ( 0.382 -1.084 -0.024) 1.150 18.162 ( -6.601 12.329 -5.122) 14.893 18.360 ( -4.484 -3.113 8.423) 10.037 18.867 ( -2.540 3.432 1.241) 4.447 18.897 ( -5.665 4.348 7.785) 10.564 18.955 ( -5.707 10.434 -6.765) 13.682 19.316 ( -3.659 -5.247 2.214) 6.769 19.470 ( 0.260 0.297 -1.097) 1.166 19.508 ( -0.543 -0.794 -0.431) 1.054 19.885 ( 0.924 2.892 -3.119) 4.352 19.986 ( -1.823 -0.812 0.199) 2.005 20.062 ( -2.079 1.580 -6.699) 7.190 20.102 ( -3.051 -0.219 -1.913) 3.608 20.467 ( 2.510 0.959 -0.533) 2.739 20.502 ( 3.707 -0.831 -0.308) 3.812 21.114 ( -1.920 4.993 -0.211) 5.354 21.324 ( -0.254 -4.675 -0.671) 4.730 22.328 ( -4.300 1.562 -1.890) 4.950 22.397 ( -2.252 -1.746 0.673) 2.928 22.672 ( -5.737 3.203 -0.703) 6.608 22.728 ( -4.089 1.862 -2.225) 5.014 23.269 ( 4.694 2.254 1.179) 5.339 23.443 ( 7.773 -7.582 -4.321) 11.687 ======================= Grid point 11 (8/111) ======================= q-point: ( 0.25 0.25 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 17.427 14.309 0.083) 22.549 1.172 ( 19.360 4.967 -0.947) 20.010 1.382 ( 8.579 -4.152 1.481) 9.645 1.574 ( 0.418 1.717 2.853) 3.356 1.789 ( 0.692 -8.356 -0.563) 8.403 2.064 ( 7.765 -0.679 -5.456) 9.515 2.091 ( 22.456 13.749 -1.053) 26.352 2.334 ( -1.151 0.651 3.708) 3.937 2.446 ( -1.588 -3.231 2.411) 4.332 2.681 ( 1.902 1.278 -3.778) 4.419 2.727 ( -6.321 0.523 0.720) 6.383 2.802 ( -5.300 -6.713 1.426) 8.671 2.899 ( -3.401 3.644 -3.263) 5.958 3.191 ( -3.047 -0.912 -1.349) 3.455 3.272 ( -6.588 4.996 -2.390) 8.606 3.548 ( -0.625 3.058 -5.221) 6.083 3.687 ( -2.142 -7.524 -1.086) 7.898 3.912 ( 2.069 0.514 -2.341) 3.166 4.035 ( -0.450 2.430 4.264) 4.928 4.191 ( 1.463 8.443 1.789) 8.753 4.230 ( 2.492 -20.069 -0.712) 20.236 4.713 ( -1.601 -10.237 -0.221) 10.364 4.799 ( 4.920 3.478 2.409) 6.489 5.005 ( -0.190 -8.095 3.615) 8.868 5.383 ( -1.749 10.398 -1.315) 10.626 5.566 ( 1.338 7.935 0.546) 8.065 5.600 ( 1.294 0.395 2.128) 2.522 5.865 ( -0.179 7.260 -2.034) 7.542 5.944 ( 0.491 4.035 0.930) 4.170 6.303 ( 1.454 5.040 1.630) 5.493 6.642 ( -2.237 -20.786 3.463) 21.191 6.761 ( 3.149 -3.411 -3.037) 5.548 6.777 ( 0.108 -3.453 4.009) 5.292 6.878 ( -0.001 -5.714 -4.237) 7.114 6.946 ( 2.065 -6.123 -5.707) 8.621 6.981 ( 2.293 -3.296 -1.705) 4.362 7.312 ( 2.136 2.656 1.128) 3.590 7.411 ( 1.908 -1.317 1.157) 2.591 7.733 ( -3.047 17.292 6.854) 18.848 7.804 ( 1.734 8.292 -3.995) 9.366 7.992 ( -0.135 -8.309 1.928) 8.531 8.395 ( 0.235 -11.158 -0.743) 11.185 8.560 ( 0.314 11.657 1.613) 11.772 8.613 ( 0.284 18.526 -0.962) 18.553 8.755 ( -0.560 1.953 1.869) 2.760 9.000 ( -0.716 -3.871 -1.225) 4.123 9.026 ( 0.790 1.276 2.005) 2.505 9.243 ( 3.172 -1.230 -3.672) 5.005 9.254 ( 0.080 -0.807 4.419) 4.493 9.590 ( -0.322 -24.194 -0.122) 24.196 10.617 ( -0.297 17.636 0.711) 17.653 11.117 ( -1.079 -8.175 0.104) 8.247 11.550 ( -1.405 2.544 -0.318) 2.924 11.663 ( -0.935 -2.550 -0.338) 2.737 12.017 ( -1.688 1.337 0.459) 2.202 12.046 ( -1.667 -0.194 -0.049) 1.679 12.649 ( -0.931 1.440 -0.401) 1.761 12.718 ( -1.037 -1.825 -0.149) 2.104 12.762 ( -1.693 0.856 -0.442) 1.947 12.780 ( -2.247 -0.180 -0.388) 2.287 15.961 ( 0.452 1.073 -0.275) 1.196 16.011 ( 0.597 -1.174 -0.052) 1.318 18.034 ( -4.579 11.320 -0.449) 12.220 18.287 ( -6.927 -2.768 4.442) 8.681 18.838 ( 0.810 8.512 2.061) 8.795 18.879 ( -1.100 0.998 2.540) 2.943 18.918 ( 0.368 -0.329 -2.652) 2.697 19.259 ( -2.831 -9.330 1.844) 9.923 19.464 ( 0.038 2.345 -0.076) 2.346 19.509 ( 0.615 -0.565 -0.363) 0.910 19.876 ( 0.757 2.442 -3.982) 4.732 19.958 ( -1.651 -1.680 0.309) 2.376 19.999 ( -1.644 0.135 -1.595) 2.294 20.028 ( -2.374 -0.649 -2.954) 3.845 20.521 ( 3.230 1.165 -0.987) 3.573 20.583 ( 4.339 -1.924 -0.396) 4.763 21.073 ( -2.039 5.853 -0.265) 6.203 21.308 ( -0.687 -4.917 -0.974) 5.059 22.233 ( -3.775 2.279 -1.766) 4.750 22.333 ( -3.891 -2.187 -0.494) 4.490 22.561 ( -4.926 2.732 -0.485) 5.654 22.672 ( -1.092 -2.224 -1.570) 2.934 23.370 ( 4.243 2.674 1.304) 5.183 23.502 ( 2.476 -3.335 -3.486) 5.422 ======================= Grid point 12 (9/111) ======================= q-point: ( 0.38 0.25 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 11.958 7.133 -3.480) 14.352 1.439 ( 11.750 1.264 -0.592) 11.833 1.574 ( -0.629 -5.048 2.676) 5.748 1.664 ( 15.479 8.032 -0.193) 17.440 1.862 ( 4.589 -12.697 3.235) 13.883 1.962 ( -6.419 1.039 -5.009) 8.208 2.330 ( -1.133 0.663 0.829) 1.553 2.433 ( -0.469 -0.994 2.803) 3.010 2.460 ( 2.681 4.559 0.453) 5.308 2.526 ( -9.980 1.369 -1.319) 10.159 2.622 ( -2.444 -2.043 -1.161) 3.391 2.812 ( -2.081 7.159 -3.225) 8.123 2.929 ( 10.620 -2.621 5.951) 12.453 3.087 ( -5.399 8.658 1.445) 10.305 3.137 ( -2.424 1.439 -8.554) 9.007 3.467 ( -3.163 -7.234 -5.563) 9.658 3.745 ( 6.848 -0.321 2.281) 7.225 3.971 ( 3.905 -4.396 -1.689) 6.118 4.041 ( -2.311 1.123 3.170) 4.080 4.212 ( 1.336 5.093 -3.237) 6.181 4.259 ( 0.347 -7.754 1.998) 8.015 4.695 ( -0.601 -13.515 0.712) 13.547 4.922 ( 4.225 -0.266 3.838) 5.714 4.974 ( -3.719 -3.207 0.799) 4.975 5.336 ( -1.996 13.678 -0.381) 13.828 5.590 ( 0.653 12.053 0.621) 12.087 5.633 ( 0.871 -6.096 0.798) 6.210 5.847 ( -0.292 9.440 -1.359) 9.541 5.954 ( 0.112 2.902 0.336) 2.923 6.344 ( 1.353 5.198 1.637) 5.615 6.629 ( -1.262 -25.549 2.586) 25.711 6.788 ( 0.843 -0.822 -0.510) 1.283 6.809 ( 0.645 -3.235 0.766) 3.387 6.840 ( -0.609 -8.589 -2.088) 8.860 6.953 ( 2.104 -2.923 -3.930) 5.331 6.996 ( 0.597 -1.620 -1.950) 2.605 7.356 ( 1.636 2.740 0.047) 3.192 7.449 ( 1.131 -1.182 0.926) 1.880 7.729 ( -1.687 20.805 4.807) 21.420 7.804 ( 0.864 5.245 -3.074) 6.141 8.001 ( -0.166 -8.272 1.434) 8.397 8.393 ( 0.039 -10.987 -0.540) 11.001 8.580 ( 0.145 12.052 2.384) 12.286 8.610 ( 0.518 17.914 -2.086) 18.042 8.762 ( -0.036 1.342 1.341) 1.897 8.979 ( -0.544 -2.898 -1.119) 3.153 9.054 ( 0.577 -0.372 1.590) 1.732 9.278 ( 3.656 -0.870 -5.962) 7.047 9.284 ( -1.190 -0.771 6.543) 6.694 9.582 ( -0.407 -24.773 -0.050) 24.776 10.617 ( -0.235 17.539 0.536) 17.548 11.102 ( -0.587 -7.748 0.178) 7.772 11.523 ( -1.009 2.726 -0.213) 2.915 11.644 ( -0.678 -2.717 -0.230) 2.810 11.993 ( -1.043 0.864 0.458) 1.430 12.015 ( -1.316 -0.192 -0.060) 1.331 12.633 ( -0.481 1.581 -0.196) 1.664 12.700 ( -0.593 -1.418 0.039) 1.538 12.726 ( -1.497 0.337 -0.568) 1.636 12.739 ( -1.444 -0.169 -0.242) 1.474 15.968 ( 0.370 1.135 -0.199) 1.211 16.022 ( 0.465 -1.265 -0.043) 1.349 17.968 ( -2.323 7.542 0.305) 7.898 18.188 ( -4.749 -2.849 1.606) 5.766 18.875 ( -0.276 0.672 1.163) 1.371 18.886 ( 1.259 4.894 2.252) 5.532 18.908 ( 0.367 0.478 -1.993) 2.082 19.239 ( -0.527 -10.014 0.913) 10.069 19.469 ( 0.301 3.085 0.274) 3.112 19.522 ( 0.711 -0.419 -0.100) 0.831 19.859 ( 0.294 2.101 -3.210) 3.848 19.924 ( -1.780 -1.392 0.929) 2.444 19.970 ( -1.974 -0.092 0.669) 2.086 19.981 ( 0.275 -0.985 -2.761) 2.944 20.568 ( 2.078 1.164 -0.847) 2.528 20.649 ( 2.496 -3.068 -0.308) 3.967 21.039 ( -1.102 6.899 -0.238) 6.990 21.287 ( -0.774 -4.676 -0.632) 4.782 22.165 ( -2.135 2.128 -0.953) 3.161 22.259 ( -2.836 -2.037 -0.698) 3.561 22.483 ( -2.609 3.359 -0.350) 4.268 22.651 ( -0.411 -4.110 -0.599) 4.173 23.445 ( 2.468 1.779 1.401) 3.349 23.510 ( 0.682 -1.118 -2.417) 2.749 ======================= Grid point 13 (10/111) ======================= q-point: (-0.50 0.25 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -0.000 2.548 0.000) 2.548 1.512 ( 0.000 -0.535 0.000) 0.535 1.642 ( 0.000 -1.271 0.000) 1.271 1.768 ( 0.000 5.622 0.000) 5.622 1.917 ( -0.000 0.374 0.000) 0.374 1.945 ( 0.000 -15.334 -0.000) 15.334 2.276 ( 0.000 14.189 0.000) 14.189 2.396 ( 0.000 -1.565 -0.000) 1.565 2.414 ( -0.000 -0.194 0.000) 0.194 2.470 ( 0.000 2.069 0.000) 2.069 2.618 ( 0.000 -1.551 0.000) 1.551 2.765 ( 0.000 3.160 0.000) 3.160 3.020 ( 0.000 4.427 -0.000) 4.427 3.069 ( 0.000 7.032 0.000) 7.032 3.128 ( 0.000 -3.809 0.000) 3.809 3.396 ( 0.000 -11.793 0.000) 11.793 3.881 ( -0.000 7.913 -0.000) 7.913 3.981 ( 0.000 -9.460 -0.000) 9.460 4.016 ( 0.000 -0.904 0.000) 0.904 4.210 ( -0.000 -2.766 0.000) 2.766 4.272 ( 0.000 7.150 -0.000) 7.150 4.693 ( 0.000 -14.602 0.000) 14.602 4.922 ( 0.000 -1.398 -0.000) 1.398 4.986 ( 0.000 -3.498 0.000) 3.498 5.314 ( 0.000 14.687 0.000) 14.687 5.599 ( 0.000 12.995 0.000) 12.995 5.644 ( 0.000 -7.834 -0.000) 7.834 5.839 ( 0.000 10.366 0.000) 10.366 5.955 ( 0.000 2.471 -0.000) 2.471 6.365 ( 0.000 5.933 0.000) 5.933 6.628 ( 0.000 -27.866 -0.000) 27.866 6.794 ( 0.000 -1.302 0.000) 1.302 6.798 ( 0.000 -3.872 -0.000) 3.872 6.843 ( 0.000 -8.461 0.000) 8.461 6.964 ( -0.000 -1.804 0.000) 1.804 6.989 ( 0.000 -0.672 -0.000) 0.672 7.372 ( 0.000 2.861 0.000) 2.861 7.464 ( 0.000 -0.928 0.000) 0.928 7.731 ( 0.000 23.666 0.000) 23.666 7.800 ( 0.000 2.607 -0.000) 2.607 8.005 ( 0.000 -8.147 0.000) 8.147 8.391 ( 0.000 -10.955 0.000) 10.955 8.593 ( 0.000 10.885 -0.000) 10.885 8.605 ( -0.000 18.797 0.000) 18.797 8.767 ( 0.000 1.007 0.000) 1.007 8.968 ( 0.000 -2.303 -0.000) 2.303 9.066 ( 0.000 -0.984 0.000) 0.984 9.293 ( -0.000 -0.204 0.000) 0.204 9.296 ( 0.000 -1.300 -0.000) 1.300 9.577 ( 0.000 -25.027 -0.000) 25.027 10.616 ( 0.000 17.581 0.000) 17.581 11.097 ( 0.000 -7.579 -0.000) 7.579 11.512 ( 0.000 2.801 0.000) 2.801 11.637 ( 0.000 -2.786 0.000) 2.786 11.984 ( 0.000 0.653 0.000) 0.653 12.001 ( 0.000 -0.125 0.000) 0.125 12.628 ( 0.000 1.646 -0.000) 1.646 12.698 ( 0.000 -1.587 -0.000) 1.587 12.704 ( 0.000 0.543 0.000) 0.543 12.724 ( 0.000 -0.250 0.000) 0.250 15.971 ( 0.000 1.159 0.000) 1.159 16.027 ( 0.000 -1.307 0.000) 1.307 17.947 ( 0.000 6.207 0.000) 6.207 18.145 ( 0.000 -2.838 0.000) 2.838 18.876 ( 0.000 0.415 -0.000) 0.415 18.899 ( 0.000 -0.615 0.000) 0.615 18.914 ( 0.000 5.584 -0.000) 5.584 19.239 ( 0.000 -9.860 0.000) 9.860 19.474 ( 0.000 3.248 0.000) 3.248 19.529 ( 0.000 -0.412 0.000) 0.412 19.849 ( 0.000 2.016 0.000) 2.016 19.910 ( 0.000 -1.046 -0.000) 1.046 19.951 ( 0.000 0.063 -0.000) 0.063 19.976 ( 0.000 -1.402 0.000) 1.402 20.585 ( 0.000 1.119 -0.000) 1.119 20.672 ( 0.000 -3.563 -0.000) 3.563 21.028 ( 0.000 7.351 0.000) 7.351 21.276 ( 0.000 -4.422 0.000) 4.422 22.140 ( 0.000 1.882 -0.000) 1.882 22.227 ( 0.000 -1.951 0.000) 1.951 22.457 ( 0.000 3.705 0.000) 3.705 22.645 ( 0.000 -4.633 -0.000) 4.633 23.480 ( 0.000 0.936 0.000) 0.936 23.501 ( 0.000 -0.038 -0.000) 0.038 ======================= Grid point 18 (11/111) ======================= q-point: ( 0.00 -0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 -20.567 0.000) 20.567 0.810 ( 0.000 20.567 0.000) 20.567 1.143 ( 0.000 -26.425 0.000) 26.425 1.143 ( 0.000 26.425 0.000) 26.425 1.935 ( 0.000 -33.161 0.000) 33.161 1.935 ( 0.000 33.161 0.000) 33.161 2.194 ( 0.000 -10.656 0.000) 10.656 2.194 ( 0.000 10.656 0.000) 10.656 2.396 ( 0.000 -5.674 0.000) 5.674 2.396 ( 0.000 5.674 0.000) 5.674 2.888 ( 0.000 -3.274 0.000) 3.274 2.888 ( 0.000 3.274 0.000) 3.274 2.999 ( 0.000 -4.962 0.000) 4.962 2.999 ( 0.000 4.962 0.000) 4.962 3.517 ( 0.000 -9.942 0.000) 9.942 3.517 ( 0.000 9.942 0.000) 9.942 3.762 ( 0.000 -1.037 0.000) 1.037 3.762 ( 0.000 1.037 0.000) 1.037 4.122 ( 0.000 -3.662 0.000) 3.662 4.122 ( 0.000 3.662 0.000) 3.662 4.526 ( 0.000 -15.118 0.000) 15.118 4.526 ( 0.000 15.118 0.000) 15.118 4.727 ( 0.000 -6.239 0.000) 6.239 4.727 ( 0.000 6.239 0.000) 6.239 5.412 ( 0.000 -2.893 0.000) 2.893 5.412 ( 0.000 2.893 0.000) 2.893 5.865 ( 0.000 -9.180 0.000) 9.180 5.865 ( 0.000 9.180 0.000) 9.180 6.171 ( 0.000 -24.071 0.000) 24.071 6.171 ( 0.000 24.071 0.000) 24.071 6.552 ( 0.000 -13.032 0.000) 13.032 6.552 ( 0.000 13.032 0.000) 13.032 6.728 ( 0.000 -0.876 0.000) 0.876 6.728 ( 0.000 0.876 0.000) 0.876 6.879 ( 0.000 -0.495 0.000) 0.495 6.879 ( 0.000 0.495 0.000) 0.495 7.298 ( 0.000 -3.154 0.000) 3.154 7.298 ( 0.000 3.154 0.000) 3.154 7.842 ( 0.000 -5.980 0.000) 5.980 7.842 ( 0.000 5.980 0.000) 5.980 8.130 ( 0.000 -17.775 0.000) 17.775 8.130 ( 0.000 17.775 0.000) 17.775 8.724 ( 0.000 -5.432 0.000) 5.432 8.724 ( 0.000 5.432 0.000) 5.432 8.919 ( 0.000 -8.909 0.000) 8.909 8.919 ( 0.000 8.909 0.000) 8.909 9.164 ( 0.000 -20.388 0.000) 20.388 9.164 ( 0.000 20.388 0.000) 20.388 9.194 ( 0.000 -1.300 0.000) 1.300 9.194 ( 0.000 1.300 0.000) 1.300 10.940 ( 0.000 -14.918 0.000) 14.918 10.940 ( 0.000 14.918 0.000) 14.918 11.638 ( 0.000 -3.144 0.000) 3.144 11.638 ( 0.000 3.144 0.000) 3.144 12.085 ( 0.000 -0.144 0.000) 0.144 12.085 ( 0.000 0.144 0.000) 0.144 12.710 ( 0.000 -1.904 0.000) 1.904 12.710 ( 0.000 1.904 0.000) 1.904 12.829 ( 0.000 -0.808 0.000) 0.808 12.829 ( 0.000 0.808 0.000) 0.808 15.975 ( 0.000 -1.404 0.000) 1.404 15.975 ( 0.000 1.404 0.000) 1.404 18.322 ( 0.000 -1.187 0.000) 1.187 18.322 ( 0.000 1.187 0.000) 1.187 18.889 ( 0.000 -1.171 0.000) 1.171 18.889 ( 0.000 1.171 0.000) 1.171 19.302 ( 0.000 -1.973 0.000) 1.973 19.302 ( 0.000 1.973 0.000) 1.973 19.488 ( 0.000 -2.602 0.000) 2.602 19.488 ( 0.000 2.602 0.000) 2.602 19.951 ( 0.000 -3.872 0.000) 3.872 19.951 ( 0.000 3.872 0.000) 3.872 20.158 ( 0.000 -1.350 0.000) 1.350 20.158 ( 0.000 1.350 0.000) 1.350 20.456 ( 0.000 -0.671 0.000) 0.671 20.456 ( 0.000 0.671 0.000) 0.671 21.232 ( 0.000 -5.773 0.000) 5.773 21.232 ( 0.000 5.773 0.000) 5.773 22.402 ( 0.000 -0.302 0.000) 0.302 22.402 ( 0.000 0.302 0.000) 0.302 22.823 ( 0.000 -5.232 0.000) 5.232 22.823 ( 0.000 5.232 0.000) 5.232 23.228 ( 0.000 -0.920 0.000) 0.920 23.228 ( 0.000 0.920 0.000) 0.920 ======================= Grid point 20 (12/111) ======================= q-point: ( 0.12 -0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 12.430 -14.878 3.687) 19.735 0.968 ( 12.430 14.878 3.687) 19.735 1.213 ( 5.969 -23.324 1.389) 24.115 1.213 ( 5.969 23.324 1.389) 24.115 1.941 ( 1.530 -13.085 -9.384) 16.174 1.941 ( 1.530 13.085 -9.384) 16.174 2.228 ( 7.489 -29.422 1.433) 30.394 2.228 ( 7.489 29.422 1.433) 30.394 2.398 ( -0.835 -3.757 2.992) 4.875 2.398 ( -0.835 3.757 2.992) 4.875 2.874 ( -4.240 -1.631 3.605) 5.799 2.874 ( -4.240 1.631 3.605) 5.799 3.006 ( 1.885 -4.984 -4.947) 7.271 3.006 ( 1.885 4.984 -4.947) 7.271 3.517 ( 0.522 -9.793 -1.055) 9.863 3.517 ( 0.522 9.793 -1.055) 9.863 3.771 ( 0.195 -8.661 -2.596) 9.044 3.771 ( 0.195 8.661 -2.596) 9.044 4.086 ( -3.677 -3.133 2.026) 5.238 4.086 ( -3.677 3.133 2.026) 5.238 4.478 ( -3.014 -19.517 1.805) 19.830 4.478 ( -3.014 19.517 1.805) 19.830 4.795 ( 5.032 -3.803 0.076) 6.308 4.795 ( 5.032 3.803 0.076) 6.308 5.436 ( 1.817 -2.897 0.849) 3.524 5.436 ( 1.817 2.897 0.849) 3.524 5.868 ( -0.002 -9.709 0.483) 9.721 5.868 ( -0.002 9.709 0.483) 9.721 6.163 ( -1.020 -23.481 0.875) 23.519 6.163 ( -1.020 23.481 0.875) 23.519 6.557 ( 0.104 -14.101 0.700) 14.119 6.557 ( 0.104 14.101 0.700) 14.119 6.747 ( 1.921 -1.720 -0.698) 2.671 6.747 ( 1.921 1.720 -0.698) 2.671 6.904 ( 3.363 -0.723 -3.112) 4.639 6.904 ( 3.363 0.723 -3.112) 4.639 7.324 ( 1.682 -3.109 1.524) 3.850 7.324 ( 1.682 3.109 1.524) 3.850 7.848 ( -0.323 -5.916 2.299) 6.355 7.848 ( -0.323 5.916 2.299) 6.355 8.130 ( 0.261 -17.866 -0.657) 17.880 8.130 ( 0.261 17.866 -0.657) 17.880 8.725 ( -0.149 -5.998 1.116) 6.102 8.725 ( -0.149 5.998 1.116) 6.102 8.912 ( -0.922 -8.789 1.170) 8.914 8.912 ( -0.922 8.789 1.170) 8.914 9.163 ( 0.517 -18.186 -1.563) 18.260 9.163 ( 0.517 18.186 -1.563) 18.260 9.211 ( 1.081 -1.890 0.814) 2.324 9.211 ( 1.081 1.890 0.814) 2.324 10.927 ( -1.016 -15.054 0.029) 15.089 10.927 ( -1.016 15.054 0.029) 15.089 11.629 ( -0.815 -3.250 -0.229) 3.359 11.629 ( -0.815 3.250 -0.229) 3.359 12.070 ( -1.414 -0.565 -0.035) 1.523 12.070 ( -1.414 0.565 -0.035) 1.523 12.701 ( -0.786 -1.977 -0.204) 2.137 12.701 ( -0.786 1.977 -0.204) 2.137 12.812 ( -1.444 -0.752 -0.305) 1.656 12.812 ( -1.444 0.752 -0.305) 1.656 15.978 ( 0.325 -1.441 -0.076) 1.479 15.978 ( 0.325 1.441 -0.076) 1.479 18.295 ( -3.322 -4.643 0.730) 5.755 18.295 ( -3.322 4.643 0.730) 5.755 18.889 ( -0.234 -1.224 0.716) 1.437 18.889 ( -0.234 1.224 0.716) 1.437 19.185 ( -9.915 -9.909 2.201) 14.190 19.185 ( -9.915 9.909 2.201) 14.190 19.487 ( 0.677 -1.323 -1.580) 2.169 19.487 ( 0.677 1.323 -1.580) 2.169 19.943 ( -0.141 -3.305 -1.798) 3.765 19.943 ( -0.141 3.305 -1.798) 3.765 20.089 ( -3.773 -1.187 -3.442) 5.243 20.089 ( -3.773 1.187 -3.442) 5.243 20.485 ( 2.908 -0.999 -0.355) 3.095 20.485 ( 2.908 0.999 -0.355) 3.095 21.220 ( -0.940 -6.423 -0.420) 6.505 21.220 ( -0.940 6.423 -0.420) 6.505 22.362 ( -3.222 -2.058 -0.967) 3.944 22.362 ( -3.222 2.058 -0.967) 3.944 22.724 ( -5.897 -2.098 -1.941) 6.554 22.724 ( -5.897 2.098 -1.941) 6.554 23.331 ( 6.798 -4.798 -0.080) 8.321 23.331 ( 6.798 4.798 -0.080) 8.321 ======================= Grid point 22 (13/111) ======================= q-point: ( 0.25 -0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 13.903 -8.080 -1.041) 16.114 1.251 ( 13.903 8.080 -1.041) 16.114 1.368 ( 8.461 -16.332 2.472) 18.559 1.368 ( 8.461 16.332 2.472) 18.559 1.899 ( 0.184 -11.689 -3.409) 12.178 1.899 ( 0.184 11.689 -3.409) 12.178 2.359 ( 0.535 -1.293 1.062) 1.757 2.359 ( 0.535 1.293 1.062) 1.757 2.517 ( 11.984 -18.725 2.285) 22.349 2.517 ( 11.984 18.725 2.285) 22.349 2.748 ( -9.348 -1.335 0.112) 9.444 2.748 ( -9.348 1.335 0.112) 9.444 2.998 ( 1.002 -10.367 -4.277) 11.260 2.998 ( 1.002 10.367 -4.277) 11.260 3.506 ( -3.691 -12.455 -0.658) 13.007 3.506 ( -3.691 12.455 -0.658) 13.007 3.707 ( 1.129 -15.103 -7.692) 16.987 3.707 ( 1.129 15.103 -7.692) 16.987 4.075 ( -0.164 -2.612 5.176) 5.800 4.075 ( -0.164 2.612 5.176) 5.800 4.451 ( -1.579 -16.599 1.781) 16.769 4.451 ( -1.579 16.599 1.781) 16.769 4.887 ( 3.418 -5.398 1.215) 6.504 4.887 ( 3.418 5.398 1.215) 6.504 5.478 ( 1.489 -4.622 1.151) 4.991 5.478 ( 1.489 4.622 1.151) 4.991 5.868 ( -0.358 -11.016 0.516) 11.034 5.868 ( -0.358 11.016 0.516) 11.034 6.148 ( -1.227 -22.958 1.241) 23.025 6.148 ( -1.227 22.958 1.241) 23.025 6.564 ( -0.195 -15.323 1.491) 15.397 6.564 ( -0.195 15.323 1.491) 15.397 6.778 ( 1.882 -1.815 -1.697) 3.117 6.778 ( 1.882 1.815 -1.697) 3.117 6.947 ( 3.413 -1.450 -4.502) 5.832 6.947 ( 3.413 1.450 -4.502) 5.832 7.369 ( 1.827 -3.137 1.206) 3.825 7.369 ( 1.827 3.137 1.206) 3.825 7.858 ( -0.681 -6.114 3.228) 6.947 7.858 ( -0.681 6.114 3.228) 6.947 8.129 ( 0.185 -18.193 -1.014) 18.222 8.129 ( 0.185 18.193 -1.014) 18.222 8.735 ( -0.034 -6.049 1.765) 6.301 8.735 ( -0.034 6.049 1.765) 6.301 8.906 ( -0.344 -8.290 0.828) 8.339 8.906 ( -0.344 8.290 0.828) 8.339 9.158 ( 0.005 -18.864 -1.413) 18.917 9.158 ( 0.005 18.864 -1.413) 18.917 9.242 ( 1.449 -0.852 0.887) 1.901 9.242 ( 1.449 0.852 0.887) 1.901 10.912 ( -0.659 -14.618 0.369) 14.637 10.912 ( -0.659 14.618 0.369) 14.637 11.607 ( -1.173 -3.507 -0.302) 3.710 11.607 ( -1.173 3.507 -0.302) 3.710 12.037 ( -1.793 -0.832 0.120) 1.981 12.037 ( -1.793 0.832 0.120) 1.981 12.682 ( -0.907 -2.072 -0.180) 2.269 12.682 ( -0.907 2.072 -0.180) 2.269 12.774 ( -2.049 -0.510 -0.487) 2.167 12.774 ( -2.049 0.510 -0.487) 2.167 15.986 ( 0.512 -1.566 -0.144) 1.654 15.986 ( 0.512 1.566 -0.144) 1.654 18.204 ( -6.058 -6.949 0.917) 9.264 18.204 ( -6.058 6.949 0.917) 9.264 18.890 ( -0.466 -1.044 1.256) 1.699 18.890 ( -0.466 1.044 1.256) 1.699 19.060 ( -3.299 -12.480 1.065) 12.953 19.060 ( -3.299 12.480 1.065) 12.953 19.494 ( 0.860 -1.194 -0.723) 1.639 19.494 ( 0.860 1.194 -0.723) 1.639 19.922 ( -0.715 -2.422 -1.492) 2.933 19.922 ( -0.715 2.422 -1.492) 2.933 20.009 ( -2.172 -1.090 -2.542) 3.517 20.009 ( -2.172 1.090 -2.542) 3.517 20.548 ( 3.459 -1.823 -0.613) 3.958 20.548 ( 3.459 1.823 -0.613) 3.958 21.195 ( -1.080 -7.264 -0.620) 7.370 21.195 ( -1.080 7.264 -0.620) 7.370 22.284 ( -3.761 -3.118 -1.094) 5.007 22.284 ( -3.761 3.118 -1.094) 5.007 22.619 ( -3.556 -3.454 -1.427) 5.159 22.619 ( -3.556 3.454 -1.427) 5.159 23.432 ( 3.863 -4.060 -0.601) 5.637 23.432 ( 3.863 4.060 -0.601) 5.637 ======================= Grid point 24 (14/111) ======================= q-point: ( 0.38 -0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 8.061 -7.225 -6.074) 12.413 1.438 ( 8.061 7.225 -6.074) 12.413 1.576 ( 8.808 -12.786 5.253) 16.391 1.576 ( 8.808 12.786 5.253) 16.391 1.897 ( 0.304 -8.876 -0.839) 8.921 1.897 ( 0.304 8.876 -0.839) 8.921 2.375 ( 0.025 -3.968 3.596) 5.355 2.375 ( 0.025 3.968 3.596) 5.355 2.551 ( -5.586 -1.008 -4.764) 7.410 2.551 ( -5.586 1.008 -4.764) 7.410 2.687 ( -0.539 -12.669 3.693) 13.207 2.687 ( -0.539 12.669 3.693) 13.207 3.014 ( 3.765 -8.475 -2.229) 9.538 3.014 ( 3.765 8.475 -2.229) 9.538 3.348 ( -7.401 -9.080 -3.939) 12.359 3.348 ( -7.401 9.080 -3.939) 12.359 3.793 ( 8.779 -9.423 -4.059) 13.503 3.793 ( 8.779 9.423 -4.059) 13.503 4.112 ( -0.057 -5.027 4.196) 6.548 4.112 ( -0.057 5.027 4.196) 6.548 4.440 ( -0.484 -13.871 1.302) 13.940 4.440 ( -0.484 13.871 1.302) 13.940 4.928 ( -0.153 -1.574 1.323) 2.062 4.928 ( -0.153 1.574 1.323) 2.062 5.505 ( 0.644 -6.791 0.691) 6.857 5.505 ( 0.644 6.791 0.691) 6.857 5.863 ( -0.397 -12.246 0.256) 12.255 5.863 ( -0.397 12.246 0.256) 12.255 6.138 ( -0.563 -23.066 0.905) 23.090 6.138 ( -0.563 23.066 0.905) 23.090 6.572 ( -0.158 -15.339 1.773) 15.442 6.572 ( -0.158 15.339 1.773) 15.442 6.788 ( 0.656 -0.578 -2.375) 2.531 6.788 ( 0.656 0.578 -2.375) 2.531 6.970 ( 1.780 -1.708 -2.763) 3.703 6.970 ( 1.780 1.708 -2.763) 3.703 7.408 ( 1.419 -2.977 0.510) 3.337 7.408 ( 1.419 2.977 0.510) 3.337 7.869 ( -0.300 -6.048 2.391) 6.510 7.869 ( -0.300 6.048 2.391) 6.510 8.123 ( -0.060 -18.765 -0.893) 18.786 8.123 ( -0.060 18.765 -0.893) 18.786 8.745 ( -0.087 -5.110 1.308) 5.276 8.745 ( -0.087 5.110 1.308) 5.276 8.910 ( 0.248 -7.201 0.207) 7.208 8.910 ( 0.248 7.201 0.207) 7.208 9.147 ( -0.300 -18.794 -0.653) 18.808 9.147 ( -0.300 18.794 -0.653) 18.808 9.274 ( 1.132 -0.373 0.558) 1.316 9.274 ( 1.132 0.373 0.558) 1.316 10.905 ( -0.318 -14.120 0.355) 14.128 10.905 ( -0.318 14.120 0.355) 14.128 11.584 ( -0.847 -3.760 -0.202) 3.860 11.584 ( -0.847 3.760 -0.202) 3.860 12.008 ( -1.243 -0.664 0.148) 1.417 12.008 ( -1.243 0.664 0.148) 1.417 12.667 ( -0.458 -2.076 -0.014) 2.126 12.667 ( -0.458 2.076 -0.014) 2.126 12.734 ( -1.545 -0.428 -0.450) 1.666 12.734 ( -1.545 0.428 -0.450) 1.666 15.994 ( 0.406 -1.690 -0.113) 1.742 15.994 ( 0.406 1.690 -0.113) 1.742 18.104 ( -4.122 -6.621 0.570) 7.820 18.104 ( -4.122 6.621 0.570) 7.820 18.888 ( -0.433 -0.848 0.829) 1.263 18.888 ( -0.433 0.848 0.829) 1.263 19.047 ( 0.397 -10.720 0.451) 10.737 19.047 ( 0.397 10.720 0.451) 10.737 19.507 ( 0.698 -1.334 -0.141) 1.512 19.507 ( 0.698 1.334 -0.141) 1.512 19.899 ( -0.795 -1.873 -0.646) 2.134 19.899 ( -0.795 1.873 -0.646) 2.134 19.966 ( -0.875 -0.253 -1.403) 1.672 19.966 ( -0.875 0.253 -1.403) 1.672 20.599 ( 2.030 -2.340 -0.532) 3.143 20.599 ( 2.030 2.340 -0.532) 3.143 21.174 ( -0.627 -7.574 -0.428) 7.612 21.174 ( -0.627 7.574 -0.428) 7.612 22.213 ( -2.578 -2.942 -0.757) 3.984 22.213 ( -2.578 2.942 -0.757) 3.984 22.563 ( -1.570 -5.224 -0.659) 5.495 22.563 ( -1.570 5.224 -0.659) 5.495 23.481 ( 1.691 -2.018 -0.389) 2.661 23.481 ( 1.691 2.018 -0.389) 2.661 ======================= Grid point 26 (15/111) ======================= q-point: (-0.50 -0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -1.672 0.000) 1.672 1.494 ( 0.000 1.672 -0.000) 1.672 1.705 ( 0.000 -9.500 0.000) 9.500 1.705 ( 0.000 9.500 0.000) 9.500 1.884 ( 0.000 -5.444 -0.000) 5.444 1.884 ( 0.000 5.444 0.000) 5.444 2.384 ( 0.000 -0.266 -0.000) 0.266 2.384 ( 0.000 0.266 -0.000) 0.266 2.499 ( 0.000 -1.578 0.000) 1.578 2.499 ( 0.000 1.578 0.000) 1.578 2.653 ( 0.000 -10.576 -0.000) 10.576 2.653 ( 0.000 10.576 0.000) 10.576 3.065 ( 0.000 -0.773 -0.000) 0.773 3.065 ( 0.000 0.773 -0.000) 0.773 3.247 ( 0.000 -6.163 0.000) 6.163 3.247 ( 0.000 6.163 0.000) 6.163 3.881 ( 0.000 -0.184 0.000) 0.184 3.881 ( 0.000 0.184 0.000) 0.184 4.125 ( 0.000 -7.524 -0.000) 7.524 4.125 ( 0.000 7.524 0.000) 7.524 4.444 ( 0.000 -12.083 0.000) 12.083 4.444 ( 0.000 12.083 0.000) 12.083 4.923 ( 0.000 -2.163 0.000) 2.163 4.923 ( -0.000 2.163 0.000) 2.163 5.514 ( 0.000 -7.747 0.000) 7.747 5.514 ( 0.000 7.747 0.000) 7.747 5.859 ( 0.000 -12.724 0.000) 12.724 5.859 ( 0.000 12.724 -0.000) 12.724 6.136 ( 0.000 -23.273 0.000) 23.273 6.136 ( 0.000 23.273 0.000) 23.273 6.578 ( 0.000 -14.782 0.000) 14.782 6.578 ( 0.000 14.782 0.000) 14.782 6.782 ( 0.000 -0.395 -0.000) 0.395 6.782 ( 0.000 0.395 -0.000) 0.395 6.978 ( 0.000 -1.020 0.000) 1.020 6.978 ( 0.000 1.020 0.000) 1.020 7.425 ( 0.000 -2.999 -0.000) 2.999 7.425 ( 0.000 2.999 0.000) 2.999 7.875 ( 0.000 -5.879 -0.000) 5.879 7.875 ( 0.000 5.879 0.000) 5.879 8.119 ( 0.000 -19.134 0.000) 19.134 8.119 ( 0.000 19.134 0.000) 19.134 8.749 ( 0.000 -4.479 0.000) 4.479 8.749 ( 0.000 4.479 0.000) 4.479 8.914 ( 0.000 -6.637 -0.000) 6.637 8.914 ( 0.000 6.637 -0.000) 6.637 9.141 ( 0.000 -18.498 0.000) 18.498 9.141 ( 0.000 18.498 -0.000) 18.498 9.288 ( 0.000 -0.256 0.000) 0.256 9.288 ( 0.000 0.256 0.000) 0.256 10.903 ( 0.000 -13.962 0.000) 13.962 10.903 ( 0.000 13.962 -0.000) 13.962 11.575 ( 0.000 -3.865 0.000) 3.865 11.575 ( 0.000 3.865 0.000) 3.865 11.995 ( 0.000 -0.485 0.000) 0.485 11.995 ( 0.000 0.485 0.000) 0.485 12.664 ( 0.000 -2.157 -0.000) 2.157 12.664 ( 0.000 2.157 -0.000) 2.157 12.716 ( 0.000 -0.671 0.000) 0.671 12.716 ( 0.000 0.671 0.000) 0.671 15.998 ( 0.000 -1.740 0.000) 1.740 15.998 ( 0.000 1.740 0.000) 1.740 18.065 ( 0.000 -6.091 0.000) 6.091 18.065 ( 0.000 6.091 0.000) 6.091 18.886 ( 0.000 -0.746 -0.000) 0.746 18.886 ( 0.000 0.746 0.000) 0.746 19.056 ( 0.000 -9.929 0.000) 9.929 19.056 ( 0.000 9.929 0.000) 9.929 19.514 ( 0.000 -1.421 0.000) 1.421 19.514 ( 0.000 1.421 0.000) 1.421 19.888 ( 0.000 -1.888 0.000) 1.888 19.888 ( 0.000 1.888 0.000) 1.888 19.953 ( 0.000 -0.777 -0.000) 0.777 19.953 ( 0.000 0.777 0.000) 0.777 20.617 ( 0.000 -2.462 0.000) 2.462 20.617 ( 0.000 2.462 -0.000) 2.462 21.167 ( 0.000 -7.537 0.000) 7.537 21.167 ( 0.000 7.537 0.000) 7.537 22.183 ( 0.000 -2.717 0.000) 2.717 22.183 ( 0.000 2.717 0.000) 2.717 22.546 ( 0.000 -5.883 0.000) 5.883 22.546 ( 0.000 5.883 -0.000) 5.883 23.496 ( 0.000 -0.623 -0.000) 0.623 23.496 ( 0.000 0.623 0.000) 0.623 ======================= Grid point 45 (16/111) ======================= q-point: ( 0.00 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 9.017 0.000 23.815) 25.465 0.591 ( -8.592 0.000 29.627) 30.847 0.926 ( -15.780 0.000 40.679) 43.632 1.594 ( -2.566 0.000 22.988) 23.130 1.669 ( -6.767 0.000 -3.719) 7.722 1.919 ( 6.038 0.000 -9.184) 10.991 1.923 ( -2.507 0.000 7.424) 7.836 2.484 ( 1.357 0.000 -1.642) 2.131 2.513 ( -5.675 0.000 9.381) 10.964 2.592 ( -3.209 0.000 -1.672) 3.619 2.808 ( -4.404 0.000 3.505) 5.629 3.015 ( -3.170 0.000 -0.819) 3.274 3.242 ( -5.379 0.000 -0.621) 5.414 3.457 ( -4.504 0.000 -5.610) 7.194 3.525 ( 3.556 0.000 3.510) 4.997 3.636 ( 3.446 0.000 -4.154) 5.397 3.843 ( -7.247 0.000 -0.275) 7.252 3.884 ( -13.679 0.000 18.244) 22.802 3.934 ( 1.576 0.000 0.216) 1.591 4.098 ( 0.609 0.000 -0.710) 0.936 4.375 ( 17.241 0.000 -3.756) 17.645 4.455 ( 2.000 0.000 8.488) 8.721 4.852 ( 5.679 0.000 2.382) 6.159 4.949 ( -1.630 0.000 5.485) 5.722 5.119 ( -2.303 0.000 3.918) 4.544 5.450 ( 1.057 0.000 -1.452) 1.796 5.582 ( 1.817 0.000 -7.830) 8.038 5.685 ( 1.811 0.000 -6.021) 6.288 5.917 ( -1.538 0.000 4.772) 5.014 6.210 ( 0.003 0.000 0.454) 0.454 6.679 ( 3.408 0.000 0.091) 3.409 6.814 ( -0.378 0.000 -5.307) 5.321 6.914 ( -4.998 0.000 15.636) 16.416 6.935 ( 0.056 0.000 -2.310) 2.311 7.007 ( -0.709 0.000 0.555) 0.901 7.063 ( -0.541 0.000 0.424) 0.688 7.311 ( 1.868 0.000 -4.006) 4.420 7.392 ( 0.647 0.000 0.992) 1.185 7.403 ( -0.343 0.000 4.542) 4.555 7.866 ( -1.623 0.000 6.501) 6.701 8.088 ( 2.650 0.000 0.756) 2.756 8.277 ( 2.830 0.000 -8.322) 8.790 8.413 ( 0.499 0.000 -2.637) 2.684 8.512 ( -1.660 0.000 0.590) 1.762 8.695 ( 2.455 0.000 -4.092) 4.772 8.917 ( 3.443 0.000 -5.880) 6.814 9.110 ( -1.768 0.000 3.633) 4.040 9.161 ( -0.871 0.000 3.936) 4.031 9.435 ( -3.849 0.000 11.507) 12.133 9.928 ( -2.651 0.000 5.882) 6.452 10.397 ( 0.424 0.000 0.963) 1.053 11.218 ( 0.298 0.000 -1.138) 1.176 11.579 ( -0.789 0.000 1.227) 1.459 11.719 ( -0.580 0.000 0.731) 0.933 12.009 ( 1.268 0.000 -2.227) 2.562 12.060 ( 0.876 0.000 -2.421) 2.575 12.641 ( 0.541 0.000 -2.695) 2.748 12.742 ( 1.419 0.000 -4.388) 4.612 12.746 ( 0.704 0.000 -2.396) 2.497 12.786 ( 1.824 0.000 -5.559) 5.851 15.944 ( -0.280 0.000 0.020) 0.281 16.007 ( 0.034 0.000 -0.121) 0.126 17.923 ( 0.320 0.000 1.351) 1.388 18.627 ( 0.779 0.000 -0.920) 1.206 18.634 ( 8.209 0.000 -3.187) 8.805 18.860 ( 1.587 0.000 -1.547) 2.216 19.275 ( -8.143 0.000 -1.240) 8.237 19.346 ( 0.533 0.000 -1.593) 1.680 19.353 ( 7.753 0.000 -2.436) 8.126 19.506 ( 0.107 0.000 -0.473) 0.485 19.961 ( -5.393 0.000 8.270) 9.873 19.974 ( 0.276 0.000 0.570) 0.633 20.161 ( -1.916 0.000 2.187) 2.908 20.246 ( -18.448 0.000 -1.590) 18.517 20.427 ( -0.612 0.000 -0.311) 0.686 20.485 ( -0.986 0.000 1.766) 2.023 21.076 ( 0.342 0.000 -0.969) 1.028 21.346 ( 0.005 0.000 -2.360) 2.360 22.357 ( -0.416 0.000 -5.300) 5.317 22.517 ( 2.325 0.000 -4.002) 4.628 22.632 ( 1.917 0.000 -2.029) 2.792 22.742 ( -3.182 0.000 2.236) 3.889 23.106 ( 4.396 0.000 -9.471) 10.441 23.170 ( -2.014 0.000 -7.218) 7.494 ======================= Grid point 46 (17/111) ======================= q-point: ( 0.12 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 11.964 0.000 21.489) 24.595 0.863 ( 4.044 0.000 26.915) 27.217 1.305 ( 29.375 0.000 22.770) 37.167 1.460 ( -7.605 0.000 -8.063) 11.084 1.721 ( -1.421 0.000 20.360) 20.409 1.950 ( -0.432 0.000 8.470) 8.481 1.993 ( 3.801 0.000 -4.010) 5.526 2.458 ( -4.440 0.000 3.457) 5.627 2.499 ( 0.758 0.000 1.079) 1.319 2.569 ( 1.334 0.000 -0.788) 1.550 2.782 ( -0.467 0.000 2.488) 2.531 2.912 ( -6.527 0.000 -1.180) 6.633 3.084 ( -9.200 0.000 -3.245) 9.755 3.342 ( -11.629 0.000 12.467) 17.049 3.470 ( -6.401 0.000 -8.432) 10.586 3.598 ( -0.010 0.000 6.655) 6.655 3.758 ( -2.602 0.000 -3.827) 4.628 3.870 ( -1.542 0.000 16.048) 16.122 3.950 ( 0.880 0.000 -0.947) 1.293 4.104 ( 0.568 0.000 -1.705) 1.797 4.530 ( 3.787 0.000 -9.841) 10.545 4.611 ( 6.256 0.000 11.293) 12.910 4.956 ( -1.976 0.000 6.035) 6.350 5.008 ( 7.336 0.000 -8.110) 10.936 5.133 ( 0.334 0.000 4.941) 4.953 5.452 ( 0.235 0.000 -1.493) 1.511 5.592 ( 4.736 0.000 -7.501) 8.871 5.709 ( 3.595 0.000 -7.811) 8.599 5.921 ( -2.482 0.000 6.664) 7.111 6.231 ( 1.901 0.000 0.044) 1.902 6.741 ( 3.119 0.000 -1.703) 3.554 6.782 ( 1.304 0.000 -6.156) 6.292 6.906 ( -1.210 0.000 -1.107) 1.640 6.941 ( -3.319 0.000 14.322) 14.702 7.001 ( 0.160 0.000 -0.335) 0.372 7.057 ( -0.634 0.000 1.055) 1.231 7.338 ( 3.394 0.000 -3.948) 5.206 7.402 ( -0.532 0.000 1.582) 1.669 7.437 ( 0.340 0.000 4.494) 4.507 7.862 ( -3.065 0.000 7.345) 7.959 8.141 ( 0.917 0.000 1.567) 1.816 8.279 ( 3.485 0.000 -8.439) 9.131 8.405 ( 0.670 0.000 -2.825) 2.903 8.490 ( -1.099 0.000 1.264) 1.675 8.707 ( 1.645 0.000 -3.605) 3.962 8.946 ( 3.929 0.000 -6.527) 7.618 9.093 ( -2.489 0.000 3.383) 4.199 9.186 ( 0.062 0.000 5.333) 5.333 9.454 ( -2.778 0.000 11.779) 12.102 9.921 ( -1.997 0.000 5.349) 5.710 10.413 ( 0.155 0.000 1.599) 1.607 11.206 ( -0.642 0.000 -0.971) 1.164 11.561 ( -1.738 0.000 0.921) 1.967 11.706 ( -1.069 0.000 0.403) 1.143 12.007 ( 0.131 0.000 -2.088) 2.092 12.049 ( -0.243 0.000 -2.426) 2.438 12.625 ( -0.060 0.000 -2.905) 2.905 12.728 ( 0.425 0.000 -4.473) 4.493 12.736 ( 0.093 0.000 -2.542) 2.543 12.768 ( 0.343 0.000 -5.309) 5.320 15.942 ( 0.074 0.000 -0.158) 0.174 16.011 ( 0.442 0.000 -0.136) 0.462 17.934 ( -0.410 0.000 1.863) 1.908 18.595 ( -8.276 0.000 -1.384) 8.391 18.667 ( 3.699 0.000 -0.799) 3.784 18.885 ( 1.634 0.000 -0.939) 1.884 19.039 ( -11.103 0.000 10.163) 15.052 19.349 ( 0.859 0.000 -1.602) 1.818 19.416 ( 1.525 0.000 -4.265) 4.530 19.503 ( 0.118 0.000 -0.840) 0.849 19.893 ( -5.622 0.000 5.661) 7.978 19.978 ( -0.297 0.000 0.614) 0.682 20.029 ( -4.653 0.000 1.723) 4.962 20.115 ( -4.069 0.000 2.158) 4.606 20.438 ( 2.027 0.000 -0.970) 2.248 20.523 ( 3.320 0.000 1.445) 3.620 21.056 ( -1.598 0.000 -0.846) 1.808 21.333 ( 0.404 0.000 -2.511) 2.544 22.257 ( -4.408 0.000 -4.488) 6.290 22.434 ( -4.688 0.000 -1.196) 4.838 22.619 ( -2.608 0.000 -2.091) 3.343 22.697 ( -1.794 0.000 2.361) 2.965 23.182 ( 7.823 0.000 -8.524) 11.569 23.257 ( 11.308 0.000 -15.204) 18.948 ======================= Grid point 47 (18/111) ======================= q-point: ( 0.25 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 6.588 0.000 20.519) 21.550 1.261 ( 16.984 0.000 13.647) 21.788 1.332 ( 0.386 0.000 -3.176) 3.199 1.806 ( -2.355 0.000 13.584) 13.787 1.968 ( -3.692 0.000 -3.712) 5.235 1.985 ( 13.355 0.000 3.364) 13.772 2.062 ( 16.501 0.000 13.716) 21.457 2.393 ( -3.470 0.000 0.527) 3.510 2.534 ( 1.252 0.000 2.299) 2.618 2.614 ( 2.970 0.000 0.542) 3.019 2.743 ( -9.792 0.000 -2.640) 10.141 2.845 ( 4.892 0.000 4.935) 6.948 2.864 ( -11.994 0.000 2.275) 12.208 3.090 ( -13.284 0.000 -0.830) 13.310 3.363 ( -8.454 0.000 6.509) 10.669 3.624 ( -1.879 0.000 6.716) 6.974 3.727 ( 1.349 0.000 -0.831) 1.584 3.963 ( 1.985 0.000 -3.402) 3.938 3.983 ( 2.406 0.000 12.559) 12.787 4.099 ( 0.374 0.000 -1.661) 1.703 4.494 ( -2.467 0.000 -2.457) 3.482 4.829 ( 7.600 0.000 9.549) 12.204 4.953 ( -2.774 0.000 6.087) 6.689 5.012 ( 0.322 0.000 -8.775) 8.781 5.173 ( -0.289 0.000 4.847) 4.855 5.444 ( 0.334 0.000 -2.132) 2.158 5.647 ( 5.305 0.000 -5.612) 7.723 5.693 ( 1.171 0.000 -8.833) 8.910 5.915 ( -2.177 0.000 4.858) 5.324 6.273 ( 2.394 0.000 -0.894) 2.555 6.773 ( 2.392 0.000 -4.590) 5.176 6.777 ( 2.484 0.000 -5.725) 6.240 6.888 ( 0.393 0.000 -1.611) 1.659 6.976 ( -2.888 0.000 11.174) 11.541 7.012 ( 1.549 0.000 -1.067) 1.881 7.061 ( -1.993 0.000 8.463) 8.695 7.370 ( 2.566 0.000 -4.134) 4.865 7.395 ( -1.762 0.000 2.756) 3.271 7.474 ( 0.373 0.000 3.493) 3.513 7.856 ( -3.183 0.000 7.887) 8.505 8.148 ( -0.964 0.000 1.163) 1.511 8.292 ( 4.228 0.000 -8.931) 9.881 8.400 ( 0.892 0.000 -2.837) 2.974 8.482 ( -0.408 0.000 0.473) 0.625 8.711 ( 1.503 0.000 -3.757) 4.046 8.972 ( 3.832 0.000 -7.724) 8.622 9.064 ( -2.790 0.000 3.259) 4.290 9.232 ( 0.200 0.000 6.093) 6.097 9.489 ( -2.474 0.000 12.062) 12.313 9.923 ( -1.738 0.000 5.044) 5.335 10.421 ( -0.667 0.000 1.868) 1.984 11.185 ( -0.792 0.000 -0.611) 1.000 11.530 ( -1.921 0.000 0.692) 2.042 11.686 ( -1.082 0.000 0.216) 1.103 11.987 ( -0.402 0.000 -2.410) 2.443 12.019 ( -0.878 0.000 -2.683) 2.823 12.603 ( 0.050 0.000 -2.710) 2.710 12.699 ( -0.060 0.000 -4.331) 4.331 12.717 ( -0.173 0.000 -2.548) 2.554 12.732 ( -0.254 0.000 -4.480) 4.487 15.945 ( 0.428 0.000 -0.175) 0.462 16.021 ( 0.672 0.000 -0.129) 0.684 17.930 ( -1.385 0.000 1.904) 2.354 18.402 ( -10.132 0.000 1.259) 10.210 18.746 ( 4.724 0.000 -1.176) 4.868 18.901 ( 0.275 0.000 -0.077) 0.285 18.973 ( -3.753 0.000 6.948) 7.897 19.356 ( 0.856 0.000 -1.290) 1.548 19.399 ( -0.049 0.000 -3.009) 3.009 19.502 ( 0.657 0.000 -1.255) 1.417 19.843 ( -2.503 0.000 2.897) 3.828 19.969 ( -0.843 0.000 -0.445) 0.953 19.978 ( -2.127 0.000 0.241) 2.141 20.053 ( -3.603 0.000 2.958) 4.662 20.484 ( 3.264 0.000 -1.123) 3.452 20.613 ( 4.417 0.000 1.295) 4.603 21.010 ( -2.444 0.000 -0.381) 2.474 21.325 ( 0.230 0.000 -1.687) 1.703 22.160 ( -2.513 0.000 -3.462) 4.278 22.334 ( -4.195 0.000 -2.052) 4.670 22.531 ( -4.581 0.000 -0.197) 4.586 22.697 ( -0.268 0.000 1.603) 1.625 23.275 ( 7.891 0.000 -9.819) 12.597 23.332 ( 7.403 0.000 -13.255) 15.183 ======================= Grid point 48 (19/111) ======================= q-point: ( 0.38 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 5.961 0.000 9.563) 11.269 1.428 ( 9.104 0.000 4.835) 10.308 1.700 ( 18.918 0.000 8.664) 20.807 1.818 ( -4.576 0.000 8.595) 9.737 1.821 ( -8.069 0.000 -1.097) 8.144 2.072 ( 0.821 0.000 3.897) 3.983 2.333 ( -4.811 0.000 1.159) 4.949 2.451 ( 9.315 0.000 3.527) 9.961 2.474 ( -9.476 0.000 -5.650) 11.032 2.577 ( -4.996 0.000 6.576) 8.259 2.628 ( -4.244 0.000 3.318) 5.387 2.696 ( -6.640 0.000 5.439) 8.584 2.912 ( 2.268 0.000 -3.947) 4.553 3.102 ( 8.924 0.000 5.191) 10.324 3.238 ( -7.593 0.000 14.907) 16.729 3.630 ( -1.570 0.000 4.605) 4.865 3.763 ( -0.368 0.000 5.939) 5.951 3.972 ( 2.316 0.000 -6.499) 6.899 4.098 ( -0.051 0.000 0.671) 0.673 4.136 ( 5.383 0.000 9.185) 10.646 4.393 ( -7.713 0.000 0.553) 7.733 4.930 ( -2.079 0.000 -6.224) 6.562 4.933 ( -3.363 0.000 6.598) 7.406 5.000 ( 3.760 0.000 3.615) 5.216 5.191 ( -1.343 0.000 5.136) 5.309 5.435 ( 0.504 0.000 -2.769) 2.814 5.649 ( 1.443 0.000 -9.736) 9.842 5.707 ( 4.050 0.000 -3.673) 5.468 5.911 ( -1.236 0.000 3.467) 3.680 6.299 ( 1.156 0.000 -2.056) 2.359 6.775 ( 2.179 0.000 -6.829) 7.168 6.798 ( 3.071 0.000 -3.530) 4.679 6.878 ( 1.570 0.000 -7.953) 8.106 6.986 ( -4.167 0.000 12.105) 12.802 7.044 ( 2.287 0.000 -1.259) 2.611 7.104 ( -2.961 0.000 15.935) 16.208 7.376 ( -2.406 0.000 3.431) 4.191 7.379 ( 1.711 0.000 -4.460) 4.777 7.494 ( -0.581 0.000 2.464) 2.531 7.849 ( -3.021 0.000 7.094) 7.711 8.126 ( -1.425 0.000 -0.114) 1.430 8.313 ( 4.270 0.000 -9.081) 10.034 8.403 ( 1.689 0.000 -2.992) 3.436 8.481 ( 0.088 0.000 0.091) 0.127 8.711 ( 1.393 0.000 -4.499) 4.710 8.982 ( 3.103 0.000 -8.766) 9.299 9.039 ( -2.091 0.000 3.534) 4.106 9.270 ( -0.810 0.000 5.779) 5.835 9.521 ( -3.264 0.000 12.136) 12.567 9.923 ( -1.911 0.000 5.015) 5.367 10.414 ( -1.273 0.000 1.695) 2.120 11.169 ( -0.538 0.000 -0.454) 0.704 11.503 ( -1.258 0.000 0.696) 1.438 11.671 ( -0.611 0.000 0.270) 0.668 11.962 ( -0.137 0.000 -2.976) 2.979 11.983 ( -0.395 0.000 -3.159) 3.184 12.591 ( 0.558 0.000 -2.437) 2.500 12.672 ( 0.435 0.000 -3.877) 3.902 12.698 ( 0.193 0.000 -2.374) 2.382 12.702 ( 0.230 0.000 -3.617) 3.625 15.954 ( 0.493 0.000 -0.045) 0.495 16.033 ( 0.544 0.000 -0.101) 0.553 17.912 ( -1.628 0.000 1.570) 2.262 18.244 ( -6.420 0.000 0.675) 6.455 18.816 ( 3.288 0.000 -1.851) 3.773 18.894 ( -1.016 0.000 0.483) 1.125 18.961 ( -2.295 0.000 5.736) 6.178 19.361 ( 0.448 0.000 -0.828) 0.941 19.380 ( 0.133 0.000 -3.007) 3.010 19.512 ( 1.183 0.000 -1.382) 1.819 19.841 ( 0.452 0.000 2.456) 2.497 19.938 ( -1.376 0.000 -1.250) 1.859 19.944 ( -1.590 0.000 0.650) 1.717 20.028 ( -1.366 0.000 3.044) 3.336 20.540 ( 2.870 0.000 -0.476) 2.910 20.696 ( 2.814 0.000 1.417) 3.151 20.967 ( -1.719 0.000 0.171) 1.728 21.318 ( -0.068 0.000 -0.378) 0.384 22.111 ( -0.353 0.000 -2.554) 2.578 22.257 ( -2.023 0.000 -1.709) 2.649 22.459 ( -2.853 0.000 0.929) 3.000 22.703 ( -0.344 0.000 1.573) 1.610 23.328 ( 5.773 0.000 -13.190) 14.398 23.382 ( 6.043 0.000 -8.645) 10.548 ======================= Grid point 49 (20/111) ======================= q-point: (-0.50 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.084 0.000 0.370) 0.379 1.571 ( -4.614 0.000 4.779) 6.643 1.741 ( -9.707 0.000 8.654) 13.004 1.819 ( 10.838 0.000 9.370) 14.326 2.076 ( -19.923 0.000 5.367) 20.633 2.080 ( -2.025 0.000 1.068) 2.289 2.116 ( 17.753 0.000 3.372) 18.070 2.395 ( 1.874 0.000 -0.931) 2.092 2.477 ( -6.930 0.000 3.229) 7.645 2.536 ( -0.519 0.000 7.356) 7.374 2.623 ( 1.372 0.000 0.395) 1.428 2.707 ( 1.593 0.000 6.247) 6.447 2.918 ( -3.877 0.000 2.019) 4.371 3.095 ( -2.205 0.000 1.661) 2.761 3.423 ( 2.527 0.000 19.074) 19.241 3.622 ( -2.192 0.000 2.912) 3.645 3.767 ( -4.796 0.000 8.274) 9.563 3.953 ( 0.678 0.000 -7.454) 7.485 4.107 ( 0.267 0.000 0.976) 1.012 4.210 ( -9.909 0.000 0.457) 9.920 4.326 ( 7.796 0.000 7.541) 10.846 4.886 ( 1.613 0.000 -4.232) 4.529 4.914 ( -2.636 0.000 4.133) 4.902 5.004 ( -4.522 0.000 -0.167) 4.525 5.203 ( -1.152 0.000 5.287) 5.411 5.427 ( 0.687 0.000 -2.487) 2.580 5.625 ( 3.586 0.000 -9.766) 10.404 5.744 ( 1.902 0.000 -2.804) 3.388 5.911 ( -1.215 0.000 2.489) 2.770 6.293 ( 0.256 0.000 -2.851) 2.863 6.755 ( -0.116 0.000 -5.527) 5.528 6.841 ( 2.865 0.000 -1.300) 3.146 6.854 ( 4.389 0.000 -12.580) 13.324 6.986 ( -5.384 0.000 13.582) 14.610 7.072 ( 1.139 0.000 -0.648) 1.310 7.153 ( -4.255 0.000 16.736) 17.269 7.354 ( -2.030 0.000 3.046) 3.660 7.380 ( 1.894 0.000 -4.788) 5.149 7.488 ( -1.645 0.000 2.079) 2.651 7.838 ( -2.916 0.000 6.091) 6.753 8.099 ( -0.894 0.000 -0.782) 1.188 8.320 ( 2.779 0.000 -8.391) 8.839 8.423 ( 2.544 0.000 -3.545) 4.364 8.486 ( 0.418 0.000 -0.075) 0.424 8.699 ( 0.844 0.000 -4.941) 5.012 8.968 ( 2.117 0.000 -9.287) 9.525 9.038 ( -0.652 0.000 3.866) 3.920 9.276 ( -2.462 0.000 4.811) 5.405 9.529 ( -4.767 0.000 11.983) 12.896 9.920 ( -1.945 0.000 4.929) 5.299 10.399 ( -1.110 0.000 1.103) 1.565 11.160 ( 0.030 0.000 -0.579) 0.580 11.495 ( -0.066 0.000 0.931) 0.933 11.668 ( 0.108 0.000 0.529) 0.540 11.942 ( 0.612 0.000 -3.659) 3.710 11.969 ( 1.372 0.000 -3.300) 3.574 12.590 ( 1.073 0.000 -2.187) 2.436 12.666 ( 1.637 0.000 -3.349) 3.728 12.692 ( 1.317 0.000 -3.291) 3.545 12.694 ( 0.994 0.000 -2.139) 2.359 15.962 ( 0.189 0.000 0.156) 0.245 16.038 ( 0.046 0.000 -0.088) 0.100 17.895 ( -0.996 0.000 1.045) 1.443 18.171 ( -1.398 0.000 0.090) 1.401 18.838 ( 0.426 0.000 -2.391) 2.429 18.873 ( -1.294 0.000 0.170) 1.305 18.963 ( -1.556 0.000 5.308) 5.531 19.358 ( 0.033 0.000 -3.519) 3.520 19.363 ( 0.249 0.000 -0.541) 0.595 19.521 ( 0.554 0.000 -1.191) 1.313 19.892 ( 2.931 0.000 1.251) 3.186 19.912 ( 0.010 0.000 -1.913) 1.913 19.930 ( -1.125 0.000 3.819) 3.981 20.035 ( -0.291 0.000 3.045) 3.059 20.580 ( 0.908 0.000 0.688) 1.139 20.733 ( -0.301 0.000 1.805) 1.830 20.952 ( 0.001 0.000 0.474) 0.474 21.322 ( 0.466 0.000 0.523) 0.701 22.109 ( 1.658 0.000 -1.753) 2.413 22.238 ( 1.090 0.000 -1.007) 1.484 22.436 ( -0.350 0.000 1.365) 1.409 22.708 ( -0.273 0.000 1.745) 1.766 23.324 ( 3.485 0.000 -12.859) 13.323 23.435 ( 5.201 0.000 -7.845) 9.412 ======================= Grid point 50 (21/111) ======================= q-point: (-0.38 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -11.362 0.000 1.872) 11.515 1.504 ( -4.973 0.000 6.750) 8.384 1.603 ( -9.224 0.000 9.246) 13.061 1.673 ( -23.680 0.000 8.181) 25.053 2.025 ( -3.896 0.000 0.446) 3.921 2.127 ( 8.786 0.000 5.810) 10.533 2.331 ( 1.523 0.000 0.769) 1.706 2.425 ( 0.727 0.000 2.688) 2.785 2.477 ( -15.334 0.000 2.710) 15.571 2.568 ( 14.321 0.000 5.378) 15.297 2.654 ( 0.257 0.000 4.443) 4.450 2.832 ( 6.719 0.000 7.902) 10.372 2.834 ( -3.219 0.000 4.260) 5.340 3.052 ( -4.595 0.000 3.972) 6.074 3.532 ( -4.683 0.000 21.999) 22.492 3.581 ( -3.945 0.000 2.140) 4.488 3.755 ( 0.557 0.000 4.704) 4.737 3.899 ( -0.429 0.000 -7.284) 7.297 4.056 ( -7.757 0.000 3.870) 8.669 4.117 ( 0.440 0.000 -0.620) 0.760 4.527 ( 7.542 0.000 5.970) 9.619 4.808 ( -8.808 0.000 -6.157) 10.747 4.906 ( 3.798 0.000 -8.183) 9.021 4.931 ( -3.206 0.000 7.453) 8.114 5.210 ( -2.025 0.000 3.919) 4.411 5.425 ( 0.698 0.000 -1.965) 2.085 5.663 ( 6.644 0.000 -7.271) 9.849 5.736 ( -0.379 0.000 -3.432) 3.453 5.892 ( -2.039 0.000 1.212) 2.372 6.274 ( -0.120 0.000 -2.734) 2.736 6.704 ( -0.876 0.000 -4.625) 4.707 6.876 ( 6.307 0.000 -11.716) 13.306 6.881 ( 1.720 0.000 -0.664) 1.844 6.970 ( -5.788 0.000 13.081) 14.304 7.075 ( -0.675 0.000 0.085) 0.680 7.165 ( -5.774 0.000 13.928) 15.078 7.344 ( -1.003 0.000 2.455) 2.652 7.381 ( 1.422 0.000 -4.810) 5.016 7.460 ( -2.746 0.000 2.141) 3.482 7.824 ( -2.807 0.000 5.821) 6.463 8.086 ( -0.088 0.000 -0.208) 0.226 8.308 ( 2.129 0.000 -8.080) 8.356 8.441 ( 1.702 0.000 -3.398) 3.800 8.495 ( 0.551 0.000 -0.275) 0.616 8.678 ( 0.658 0.000 -4.666) 4.712 8.937 ( 1.547 0.000 -8.972) 9.104 9.063 ( 0.144 0.000 3.910) 3.913 9.246 ( -3.577 0.000 3.730) 5.168 9.507 ( -5.954 0.000 11.732) 13.157 9.918 ( -1.832 0.000 4.775) 5.115 10.389 ( -0.509 0.000 0.378) 0.634 11.164 ( 0.901 0.000 -0.756) 1.176 11.512 ( 0.941 0.000 1.264) 1.575 11.681 ( 0.638 0.000 0.846) 1.060 11.940 ( 1.981 0.000 -3.842) 4.323 11.986 ( 2.632 0.000 -3.166) 4.117 12.602 ( 1.594 0.000 -1.944) 2.514 12.685 ( 2.529 0.000 -3.142) 4.033 12.705 ( 1.662 0.000 -2.041) 2.631 12.706 ( 2.683 0.000 -3.703) 4.573 15.963 ( -0.230 0.000 0.335) 0.406 16.033 ( -0.447 0.000 -0.090) 0.456 17.889 ( -0.123 0.000 0.534) 0.548 18.185 ( 2.626 0.000 -0.300) 2.643 18.801 ( -2.370 0.000 -2.493) 3.440 18.851 ( -0.643 0.000 -0.698) 0.949 18.978 ( -0.744 0.000 5.492) 5.542 19.336 ( 0.591 0.000 -3.712) 3.758 19.362 ( 0.096 0.000 -0.639) 0.647 19.516 ( -0.162 0.000 -0.846) 0.861 19.914 ( 1.673 0.000 -2.428) 2.949 19.922 ( 0.846 0.000 -0.381) 0.928 19.999 ( 2.652 0.000 8.055) 8.481 20.060 ( 0.460 0.000 3.698) 3.726 20.578 ( -1.896 0.000 1.410) 2.363 20.708 ( -3.662 0.000 2.240) 4.293 20.972 ( 1.628 0.000 0.350) 1.665 21.343 ( 1.147 0.000 0.503) 1.252 22.151 ( 3.691 0.000 -1.019) 3.829 22.278 ( 3.382 0.000 -0.965) 3.517 22.464 ( 2.219 0.000 1.070) 2.464 22.719 ( 0.011 0.000 2.235) 2.235 23.284 ( 1.446 0.000 -11.911) 11.998 23.472 ( 4.430 0.000 -7.850) 9.013 ======================= Grid point 51 (22/111) ======================= q-point: (-0.25 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -20.929 0.000 7.561) 22.253 1.206 ( -26.783 0.000 10.811) 28.883 1.526 ( -6.617 0.000 8.981) 11.156 1.561 ( 0.789 0.000 8.538) 8.574 1.865 ( -23.626 0.000 4.355) 24.024 2.053 ( -19.058 0.000 11.054) 22.032 2.140 ( -2.049 0.000 -9.643) 9.859 2.412 ( 3.654 0.000 1.136) 3.827 2.483 ( -0.947 0.000 12.076) 12.113 2.665 ( 0.455 0.000 -0.754) 0.880 2.865 ( 10.949 0.000 5.081) 12.071 2.897 ( 3.584 0.000 3.502) 5.011 3.002 ( -5.084 0.000 11.853) 12.897 3.075 ( 10.872 0.000 7.512) 13.215 3.504 ( -4.895 0.000 1.704) 5.183 3.598 ( -1.407 0.000 12.610) 12.689 3.827 ( 1.929 0.000 5.114) 5.466 3.856 ( 1.540 0.000 -6.230) 6.417 3.952 ( -7.487 0.000 9.513) 12.106 4.111 ( -0.169 0.000 -1.610) 1.619 4.582 ( -9.481 0.000 -3.298) 10.038 4.691 ( 5.784 0.000 2.533) 6.314 4.879 ( 1.099 0.000 -15.638) 15.677 4.935 ( -1.898 0.000 6.358) 6.635 5.175 ( -3.491 0.000 3.104) 4.671 5.427 ( 0.917 0.000 -1.813) 2.032 5.687 ( -1.431 0.000 -4.778) 4.988 5.754 ( 5.511 0.000 -5.149) 7.542 5.868 ( 0.078 0.000 0.347) 0.356 6.250 ( -0.798 0.000 -1.621) 1.807 6.666 ( 0.145 0.000 -3.878) 3.881 6.892 ( 0.172 0.000 -1.796) 1.804 6.913 ( 1.244 0.000 -0.425) 1.315 6.956 ( -1.323 0.000 3.155) 3.421 7.052 ( -1.788 0.000 0.685) 1.915 7.128 ( -6.479 0.000 10.055) 11.962 7.350 ( -0.023 0.000 1.942) 1.942 7.361 ( 0.037 0.000 -4.640) 4.640 7.418 ( -3.028 0.000 2.693) 4.052 7.817 ( -2.440 0.000 6.779) 7.205 8.088 ( -0.056 0.000 0.530) 0.533 8.294 ( 2.445 0.000 -8.264) 8.618 8.439 ( 0.458 0.000 -2.841) 2.878 8.505 ( 0.770 0.000 -0.390) 0.863 8.665 ( 1.321 0.000 -4.112) 4.319 8.908 ( 1.803 0.000 -7.809) 8.015 9.092 ( -0.127 0.000 3.856) 3.858 9.200 ( -3.376 0.000 3.007) 4.520 9.471 ( -6.072 0.000 11.514) 13.017 9.917 ( -1.754 0.000 4.968) 5.269 10.385 ( -0.078 0.000 -0.008) 0.078 11.183 ( 1.619 0.000 -0.840) 1.824 11.544 ( 1.154 0.000 1.495) 1.889 11.701 ( 0.634 0.000 1.031) 1.210 11.961 ( 2.727 0.000 -3.443) 4.392 12.020 ( 2.822 0.000 -2.881) 4.033 12.623 ( 1.884 0.000 -1.894) 2.671 12.713 ( 2.631 0.000 -3.430) 4.322 12.725 ( 1.797 0.000 -2.108) 2.770 12.741 ( 3.646 0.000 -4.524) 5.810 15.958 ( -0.477 0.000 0.386) 0.614 16.022 ( -0.592 0.000 -0.095) 0.599 17.896 ( 0.382 0.000 0.315) 0.495 18.255 ( 4.117 0.000 1.205) 4.290 18.723 ( -3.533 0.000 -2.090) 4.105 18.841 ( 0.411 0.000 -1.526) 1.581 19.015 ( 0.248 0.000 6.819) 6.824 19.336 ( 2.453 0.000 -4.394) 5.032 19.357 ( -0.025 0.000 -0.942) 0.942 19.508 ( -0.063 0.000 -0.574) 0.578 19.936 ( 2.019 0.000 -1.967) 2.819 19.943 ( 0.634 0.000 2.191) 2.281 20.105 ( 1.265 0.000 4.000) 4.195 20.120 ( 3.676 0.000 9.280) 9.981 20.530 ( -3.741 0.000 1.227) 3.937 20.630 ( -5.808 0.000 2.503) 6.324 21.014 ( 2.495 0.000 -0.150) 2.500 21.363 ( 0.673 0.000 -0.283) 0.731 22.236 ( 5.567 0.000 -0.493) 5.589 22.338 ( 3.404 0.000 -2.057) 3.978 22.529 ( 3.769 0.000 -0.156) 3.772 22.740 ( 0.209 0.000 2.988) 2.995 23.214 ( -0.157 0.000 -10.811) 10.812 23.494 ( 3.807 0.000 -9.070) 9.837 ======================= Grid point 52 (23/111) ======================= q-point: (-0.12 0.00 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -26.812 0.000 8.675) 28.181 0.784 ( -26.168 0.000 20.098) 32.996 1.205 ( -33.366 0.000 18.539) 38.170 1.556 ( -10.668 0.000 25.027) 27.206 1.666 ( 3.550 0.000 5.690) 6.706 1.943 ( -4.765 0.000 6.520) 8.076 1.998 ( -2.935 0.000 -14.448) 14.743 2.462 ( 2.594 0.000 -2.790) 3.809 2.530 ( -4.302 0.000 14.112) 14.753 2.658 ( 0.201 0.000 -4.775) 4.779 2.888 ( -4.662 0.000 2.066) 5.099 3.026 ( 2.597 0.000 1.994) 3.274 3.177 ( 12.939 0.000 18.299) 22.411 3.271 ( 2.819 0.000 4.567) 5.367 3.453 ( 0.149 0.000 1.082) 1.092 3.630 ( -1.709 0.000 3.259) 3.680 3.868 ( -0.553 0.000 5.334) 5.363 3.881 ( 3.780 0.000 -2.224) 4.386 3.917 ( -5.544 0.000 13.973) 15.033 4.098 ( -0.027 0.000 -0.817) 0.817 4.437 ( -4.293 0.000 2.081) 4.770 4.634 ( -10.898 0.000 -25.074) 27.340 4.801 ( 1.084 0.000 1.125) 1.562 4.942 ( -1.700 0.000 5.583) 5.836 5.144 ( -2.390 0.000 3.744) 4.442 5.437 ( 1.353 0.000 -1.747) 2.210 5.624 ( -0.676 0.000 -6.403) 6.438 5.752 ( -0.778 0.000 -7.044) 7.087 5.907 ( 2.369 0.000 -1.522) 2.815 6.222 ( -1.186 0.000 -0.232) 1.209 6.651 ( 0.495 0.000 -2.319) 2.372 6.863 ( -0.943 0.000 -3.759) 3.875 6.914 ( -5.762 0.000 14.692) 15.781 6.948 ( 1.506 0.000 -7.078) 7.237 7.023 ( -1.595 0.000 0.972) 1.867 7.079 ( -3.594 0.000 5.435) 6.516 7.326 ( -0.074 0.000 -4.375) 4.376 7.369 ( 0.777 0.000 1.151) 1.389 7.393 ( -1.736 0.000 3.783) 4.162 7.830 ( -1.613 0.000 8.677) 8.825 8.081 ( -0.773 0.000 -0.454) 0.897 8.284 ( 2.602 0.000 -8.420) 8.813 8.425 ( 0.150 0.000 -2.527) 2.532 8.519 ( 0.906 0.000 -0.594) 1.083 8.673 ( 2.324 0.000 -3.696) 4.366 8.901 ( 2.614 0.000 -6.443) 6.953 9.109 ( -0.888 0.000 3.800) 3.902 9.166 ( -2.184 0.000 3.012) 3.720 9.441 ( -5.163 0.000 11.421) 12.534 9.923 ( -1.568 0.000 6.036) 6.236 10.386 ( 0.195 0.000 0.253) 0.320 11.208 ( 1.434 0.000 -0.987) 1.741 11.572 ( 0.490 0.000 1.492) 1.571 11.717 ( 0.130 0.000 0.990) 0.999 11.990 ( 2.366 0.000 -2.775) 3.646 12.049 ( 2.060 0.000 -2.593) 3.312 12.641 ( 1.348 0.000 -2.338) 2.699 12.735 ( 2.287 0.000 -4.006) 4.613 12.742 ( 1.424 0.000 -2.215) 2.633 12.775 ( 3.228 0.000 -5.225) 6.142 15.951 ( -0.477 0.000 0.255) 0.541 16.011 ( -0.382 0.000 -0.107) 0.397 17.907 ( 0.476 0.000 0.644) 0.801 18.391 ( 8.502 0.000 7.704) 11.473 18.651 ( -2.217 0.000 -1.432) 2.639 18.845 ( 1.237 0.000 -1.906) 2.272 19.109 ( 4.655 0.000 10.103) 11.124 19.350 ( 0.170 0.000 -1.302) 1.313 19.361 ( 3.329 0.000 -6.629) 7.418 19.506 ( 0.152 0.000 -0.425) 0.451 19.959 ( 1.236 0.000 -0.555) 1.355 19.970 ( -1.024 0.000 5.611) 5.704 20.153 ( 0.669 0.000 3.161) 3.231 20.287 ( 6.856 0.000 8.578) 10.981 20.465 ( -3.173 0.000 0.519) 3.216 20.535 ( -5.192 0.000 2.310) 5.683 21.058 ( 2.043 0.000 -0.698) 2.159 21.362 ( -0.080 0.000 -1.427) 1.429 22.349 ( 5.343 0.000 -2.879) 6.070 22.377 ( 3.817 0.000 -0.255) 3.825 22.593 ( 3.288 0.000 -1.497) 3.612 22.761 ( -0.670 0.000 2.981) 3.056 23.138 ( 0.274 0.000 -9.546) 9.550 23.450 ( -2.266 0.000 -16.435) 16.591 ======================= Grid point 53 (24/111) ======================= q-point: ( 0.00 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.829 16.584 17.523) 24.141 0.836 ( -1.678 22.691 16.136) 27.894 1.312 ( -3.204 1.269 13.372) 13.809 1.387 ( -11.375 17.238 27.340) 34.264 1.696 ( -0.448 -14.150 7.980) 16.251 1.896 ( -5.541 9.451 -5.667) 12.334 1.976 ( 0.028 2.118 -3.365) 3.976 2.448 ( 1.911 -1.770 0.422) 2.639 2.494 ( -3.839 -2.482 5.317) 7.012 2.569 ( -2.515 -6.621 2.771) 7.606 2.832 ( -0.194 4.330 3.298) 5.446 3.008 ( -2.024 -1.476 -0.398) 2.537 3.119 ( -6.030 -9.373 5.760) 12.545 3.269 ( -3.171 -13.958 11.953) 18.648 3.436 ( -0.112 -1.006 -0.482) 1.121 3.595 ( -2.871 -0.293 -3.204) 4.312 3.789 ( -0.665 -3.351 -2.579) 4.281 3.931 ( 2.138 -18.465 -1.388) 18.640 4.069 ( 0.244 5.095 2.880) 5.858 4.128 ( -1.622 4.911 -0.564) 5.203 4.340 ( 0.513 13.435 8.464) 15.887 4.581 ( 2.344 7.333 2.221) 8.013 4.789 ( -1.178 -2.348 2.374) 3.541 4.832 ( -0.107 -6.762 6.815) 9.600 5.348 ( 1.745 2.784 -3.602) 4.875 5.456 ( 2.640 -6.694 -4.885) 8.697 5.573 ( 0.370 19.881 1.786) 19.965 5.822 ( 0.382 9.798 -4.818) 10.925 5.929 ( 0.666 1.288 2.002) 2.471 6.251 ( 0.761 5.735 -0.534) 5.810 6.609 ( 3.720 -12.521 -4.305) 13.753 6.682 ( 1.545 -16.898 -6.168) 18.055 6.804 ( -1.883 -0.728 -0.437) 2.065 6.928 ( -4.342 0.618 13.007) 13.726 6.942 ( -4.456 -2.576 8.833) 10.223 6.998 ( -2.402 -9.801 2.900) 10.500 7.287 ( 0.671 0.051 3.250) 3.319 7.329 ( 1.109 -0.498 -1.218) 1.721 7.665 ( 3.223 14.083 -4.374) 15.095 7.908 ( -1.909 5.976 6.293) 8.886 7.990 ( 0.522 -6.094 2.248) 6.516 8.349 ( 1.669 -4.183 -5.052) 6.768 8.472 ( 2.537 5.115 -4.251) 7.118 8.564 ( 1.342 11.124 -4.109) 11.935 8.714 ( 2.732 2.876 -4.732) 6.175 8.903 ( 3.249 -1.970 -6.906) 7.882 9.106 ( -2.662 1.331 5.585) 6.329 9.206 ( -1.396 4.620 5.904) 7.626 9.397 ( -3.680 -4.140 10.888) 12.216 9.656 ( -2.506 -21.809 6.952) 23.027 10.636 ( 0.036 18.055 -0.014) 18.055 11.142 ( 0.254 -8.374 -0.988) 8.436 11.599 ( -0.690 2.098 1.093) 2.464 11.696 ( -0.536 -2.298 0.710) 2.465 12.035 ( 1.288 1.650 -3.375) 3.972 12.061 ( 0.869 -0.013 -2.510) 2.656 12.652 ( 0.639 1.263 -2.812) 3.148 12.715 ( 1.017 -1.835 -3.179) 3.808 12.769 ( 1.091 1.200 -3.879) 4.205 12.790 ( 1.565 0.096 -5.071) 5.308 15.954 ( -0.207 0.966 0.041) 0.989 15.997 ( -0.001 -0.998 -0.076) 1.001 18.105 ( 1.481 12.432 -6.530) 14.121 18.432 ( 2.792 -9.153 0.898) 9.612 18.796 ( 3.794 5.019 -6.312) 8.913 18.855 ( 1.728 -0.502 -2.230) 2.865 19.260 ( -0.901 0.308 -0.442) 1.049 19.328 ( 5.500 -2.229 -0.974) 6.014 19.411 ( -2.854 4.243 -2.386) 5.643 19.504 ( -0.069 -0.756 -1.280) 1.488 19.979 ( -4.522 1.805 7.280) 8.758 20.006 ( 1.177 2.025 -0.307) 2.362 20.151 ( -4.030 -0.915 2.027) 4.602 20.199 ( -11.490 -3.653 -0.104) 12.058 20.439 ( -0.502 1.172 0.003) 1.275 20.479 ( -0.903 -0.644 1.530) 1.890 21.121 ( 0.280 4.381 -1.595) 4.671 21.310 ( -0.043 -4.129 -2.101) 4.634 22.352 ( -0.516 -0.000 -4.726) 4.754 22.407 ( 1.743 -3.812 -1.480) 4.445 22.732 ( -1.368 3.527 -1.672) 4.136 22.800 ( -1.217 2.797 -4.658) 5.568 23.117 ( 5.166 1.294 -9.110) 10.553 23.162 ( 0.508 -0.819 -7.341) 7.404 ======================= Grid point 54 (25/111) ======================= q-point: ( 0.12 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 10.307 7.166 14.457) 19.146 1.044 ( 6.265 17.059 19.432) 26.606 1.329 ( -1.649 -12.340 0.347) 12.454 1.598 ( 14.832 17.439 18.056) 29.157 1.775 ( 0.996 7.482 11.516) 13.769 1.833 ( 0.062 -2.770 5.730) 6.365 1.967 ( 1.310 -3.692 1.333) 4.138 2.440 ( -3.695 -1.717 1.985) 4.532 2.473 ( 0.110 -1.722 0.916) 1.954 2.584 ( 2.099 -1.589 1.847) 3.216 2.823 ( -2.180 3.773 0.468) 4.383 2.921 ( -6.582 -0.337 -1.971) 6.879 3.044 ( -4.967 -3.299 4.558) 7.505 3.299 ( -2.939 -12.929 11.750) 17.716 3.409 ( -4.926 0.359 2.322) 5.458 3.496 ( -1.780 1.291 -5.789) 6.193 3.714 ( -3.638 -4.851 -3.476) 6.990 3.925 ( -3.138 -9.066 -5.154) 10.891 4.089 ( -0.026 3.688 8.231) 9.020 4.132 ( 2.146 4.485 -1.441) 5.176 4.330 ( -4.055 3.843 9.544) 11.059 4.713 ( 6.667 3.822 2.684) 8.140 4.785 ( -1.816 -6.564 5.101) 8.509 4.941 ( 5.665 -8.996 0.981) 10.676 5.352 ( 1.037 5.146 -3.268) 6.183 5.509 ( 4.560 -5.238 -3.407) 7.735 5.589 ( 0.452 18.347 -0.032) 18.353 5.807 ( 1.224 10.199 -4.933) 11.395 5.951 ( -0.028 0.907 2.010) 2.205 6.272 ( 1.774 5.987 -0.576) 6.270 6.642 ( 1.892 -22.567 -4.895) 23.169 6.671 ( 3.141 -9.025 -7.113) 11.913 6.784 ( 1.230 -0.686 -3.968) 4.211 6.924 ( -4.096 -2.251 9.220) 10.337 6.946 ( -2.701 -0.053 11.429) 11.744 6.989 ( -1.687 -9.088 5.724) 10.872 7.326 ( 0.264 0.350 3.276) 3.305 7.361 ( 3.095 0.341 -1.029) 3.280 7.689 ( 2.431 14.998 -4.549) 15.860 7.911 ( -2.660 6.350 7.198) 9.961 8.024 ( 0.564 -7.330 2.445) 7.748 8.350 ( 1.904 -5.120 -4.602) 7.143 8.477 ( 1.088 6.786 -3.525) 7.724 8.567 ( 2.004 12.820 -4.549) 13.750 8.723 ( 1.591 2.406 -4.389) 5.252 8.922 ( 3.627 -2.650 -7.067) 8.374 9.089 ( -3.080 1.119 5.468) 6.374 9.234 ( -0.403 4.565 6.480) 7.937 9.416 ( -2.533 -4.181 11.230) 12.247 9.658 ( -2.451 -21.745 7.028) 22.984 10.634 ( -0.317 17.473 0.921) 17.500 11.131 ( -0.577 -8.229 -0.760) 8.284 11.582 ( -1.580 2.236 0.790) 2.850 11.684 ( -1.102 -2.325 0.430) 2.608 12.023 ( -0.135 1.335 -2.626) 2.949 12.048 ( -0.284 -0.087 -2.478) 2.495 12.638 ( 0.047 1.418 -2.915) 3.242 12.705 ( 0.357 -1.793 -3.264) 3.741 12.752 ( 0.059 0.920 -3.876) 3.984 12.769 ( 0.125 0.029 -5.000) 5.002 15.952 ( 0.098 1.101 -0.140) 1.114 16.000 ( 0.381 -1.086 -0.112) 1.156 18.073 ( -1.301 11.908 -2.437) 12.224 18.443 ( -2.403 -9.464 -0.211) 9.766 18.802 ( 1.456 6.046 -4.792) 7.851 18.878 ( 1.867 -0.671 -1.480) 2.475 19.102 ( -12.426 7.085 8.201) 16.488 19.338 ( -2.445 -2.698 0.328) 3.656 19.405 ( 2.779 0.396 -4.120) 4.985 19.487 ( -0.103 -1.917 -1.399) 2.375 19.911 ( -5.740 2.127 4.856) 7.813 19.998 ( -4.072 0.667 -0.015) 4.127 20.016 ( -1.904 -0.336 1.718) 2.586 20.098 ( -3.767 -1.902 1.164) 4.378 20.454 ( 2.062 1.624 -0.515) 2.674 20.512 ( 2.933 -1.103 1.317) 3.399 21.099 ( -1.245 4.474 -1.277) 4.816 21.294 ( 0.099 -4.231 -2.292) 4.813 22.271 ( -3.443 1.696 -4.337) 5.792 22.385 ( -2.379 -4.046 -2.172) 5.172 22.650 ( -4.525 2.489 -1.515) 5.383 22.705 ( -3.627 0.182 0.149) 3.635 23.198 ( 7.984 1.519 -8.432) 11.711 23.250 ( 10.535 -0.861 -13.073) 16.812 ======================= Grid point 55 (26/111) ======================= q-point: ( 0.25 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 8.007 -0.029 8.113) 11.399 1.304 ( 7.269 8.132 12.624) 16.683 1.374 ( 9.888 0.465 2.071) 10.114 1.749 ( -4.672 -0.043 8.692) 9.868 1.858 ( 2.771 -10.902 5.447) 12.498 2.011 ( -0.218 0.441 4.017) 4.047 2.209 ( 20.247 15.722 10.103) 27.554 2.390 ( -2.477 0.229 1.647) 2.983 2.492 ( 1.227 -3.515 2.596) 4.538 2.644 ( 0.702 1.439 0.731) 1.760 2.736 ( -5.766 0.685 -2.929) 6.503 2.786 ( -4.457 0.244 4.885) 6.617 2.993 ( -4.078 1.898 7.018) 8.336 3.190 ( -11.270 5.088 -5.957) 13.725 3.310 ( -6.339 -0.842 11.546) 13.199 3.470 ( -2.160 -7.435 -2.034) 8.005 3.689 ( 3.470 -4.999 1.217) 6.206 3.851 ( 0.760 -11.547 -3.929) 12.221 4.110 ( 0.048 1.888 0.414) 1.934 4.187 ( 0.443 5.769 5.576) 8.036 4.341 ( -1.955 0.739 8.575) 8.826 4.787 ( -2.425 -9.235 7.054) 11.871 4.868 ( 5.964 1.503 4.546) 7.648 5.007 ( 0.800 -6.182 -0.960) 6.307 5.342 ( -0.098 9.171 -2.380) 9.475 5.559 ( 2.858 -4.444 -3.228) 6.191 5.588 ( 0.236 15.127 -2.003) 15.261 5.795 ( 1.355 10.243 -4.956) 11.459 5.956 ( -0.236 1.185 0.516) 1.314 6.306 ( 2.213 5.286 -1.262) 5.868 6.620 ( 0.538 -25.079 -5.880) 25.764 6.690 ( 3.296 -7.639 -7.766) 11.381 6.789 ( 2.375 -0.287 -4.657) 5.236 6.918 ( -2.418 -3.591 7.628) 8.771 6.982 ( -1.139 -0.711 8.583) 8.687 7.016 ( -2.214 -5.260 12.373) 13.625 7.349 ( 0.387 0.966 1.987) 2.243 7.416 ( 2.659 -0.317 -0.360) 2.702 7.692 ( 1.139 15.891 -4.664) 16.601 7.908 ( -3.117 6.654 8.012) 10.871 8.036 ( -0.755 -7.600 1.513) 7.786 8.356 ( 1.831 -6.061 -4.089) 7.537 8.472 ( 1.532 8.058 -5.063) 9.639 8.573 ( 1.877 13.797 -4.370) 14.593 8.717 ( 1.150 1.235 -4.588) 4.888 8.938 ( 3.218 -3.648 -7.290) 8.764 9.068 ( -2.803 1.903 5.119) 6.139 9.276 ( -0.265 4.205 6.747) 7.955 9.452 ( -2.175 -4.116 11.437) 12.348 9.658 ( -2.747 -21.829 7.243) 23.163 10.635 ( -0.450 16.949 1.201) 16.998 11.114 ( -0.659 -7.842 -0.398) 7.879 11.553 ( -1.776 2.458 0.592) 3.090 11.663 ( -1.179 -2.464 0.261) 2.745 11.997 ( -0.576 0.885 -2.607) 2.813 12.018 ( -0.869 -0.139 -2.712) 2.851 12.618 ( 0.123 1.583 -2.721) 3.151 12.686 ( 0.203 -1.434 -3.180) 3.494 12.719 ( -0.486 0.378 -3.900) 3.948 12.732 ( -0.358 -0.053 -4.143) 4.158 15.957 ( 0.427 1.174 -0.160) 1.259 16.010 ( 0.617 -1.204 -0.119) 1.358 18.025 ( -2.673 9.163 -0.040) 9.545 18.338 ( -7.255 -6.299 0.072) 9.608 18.819 ( 2.999 6.021 -2.471) 7.166 18.898 ( 0.655 -0.276 -0.211) 0.741 18.996 ( -5.284 3.524 7.793) 10.053 19.284 ( -2.934 -7.073 0.870) 7.707 19.424 ( 2.142 1.829 -3.276) 4.321 19.489 ( 1.241 -1.397 -1.732) 2.548 19.854 ( -2.322 1.458 1.424) 3.090 19.940 ( -1.847 -2.284 -0.865) 3.061 19.995 ( -1.796 1.100 1.229) 2.438 20.045 ( -2.974 -1.076 2.832) 4.245 20.503 ( 3.083 1.951 -0.596) 3.696 20.591 ( 3.744 -2.163 1.240) 4.499 21.062 ( -1.599 5.356 -0.734) 5.638 21.282 ( 0.115 -4.577 -1.547) 4.833 22.185 ( -2.417 2.619 -3.403) 4.928 22.306 ( -3.528 -2.880 -2.444) 5.168 22.554 ( -4.395 2.352 -0.135) 4.987 22.667 ( -1.207 -3.047 0.841) 3.383 23.290 ( 7.720 1.493 -9.657) 12.454 23.330 ( 7.402 -0.333 -12.358) 14.409 ======================= Grid point 56 (27/111) ======================= q-point: ( 0.38 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 7.583 -0.208 6.352) 9.894 1.519 ( 8.980 2.578 3.551) 9.994 1.652 ( 7.791 -7.911 7.922) 13.640 1.721 ( 0.071 7.576 5.030) 9.094 1.895 ( -2.106 -4.203 1.335) 4.887 2.012 ( -1.534 -2.471 5.325) 6.068 2.369 ( -2.176 4.857 3.632) 6.443 2.440 ( -2.730 2.128 -0.147) 3.464 2.499 ( -2.554 0.321 1.236) 2.855 2.558 ( -2.925 -1.452 6.785) 7.530 2.720 ( -6.940 2.757 7.602) 10.656 2.783 ( 1.793 11.898 0.936) 12.069 3.005 ( -1.562 7.412 -4.593) 8.859 3.024 ( 2.023 -8.791 5.229) 10.427 3.260 ( -3.813 3.168 12.771) 13.699 3.421 ( -2.048 -14.447 1.590) 14.678 3.811 ( 6.139 -1.655 4.137) 7.585 3.892 ( 4.877 -8.521 -4.904) 10.974 4.102 ( -2.323 2.791 1.668) 3.996 4.220 ( -0.782 2.961 5.933) 6.677 4.358 ( -2.596 4.378 7.730) 9.255 4.788 ( -2.756 -10.560 7.337) 13.151 4.950 ( -2.169 -3.057 -0.720) 3.817 4.989 ( 0.198 -1.926 2.093) 2.851 5.317 ( -0.813 11.427 -1.622) 11.571 5.571 ( 2.093 -4.035 -6.770) 8.154 5.579 ( 0.310 12.181 -1.387) 12.264 5.799 ( 2.073 9.962 -3.343) 10.711 5.954 ( 0.001 1.291 -0.361) 1.341 6.330 ( 1.413 4.701 -2.732) 5.618 6.585 ( 0.418 -25.200 -6.478) 26.023 6.687 ( 2.447 -8.407 -7.862) 11.768 6.811 ( 2.489 0.308 -2.232) 3.357 6.939 ( -0.746 -5.156 6.268) 8.151 7.015 ( -2.158 0.817 9.310) 9.592 7.071 ( -2.173 -3.932 14.613) 15.288 7.368 ( 0.427 1.835 0.786) 2.041 7.452 ( 1.206 -0.556 -0.355) 1.374 7.669 ( 0.155 16.110 -5.001) 16.869 7.905 ( -2.820 6.932 7.448) 10.559 8.022 ( -1.202 -7.589 0.465) 7.698 8.364 ( 1.658 -7.360 -3.216) 8.201 8.464 ( 2.212 9.017 -7.378) 11.859 8.580 ( 1.919 13.798 -4.062) 14.510 8.705 ( 1.183 0.002 -5.295) 5.425 8.942 ( 2.554 -4.157 -7.459) 8.913 9.056 ( -1.954 2.978 4.685) 5.885 9.311 ( -1.203 3.850 6.494) 7.645 9.485 ( -2.933 -3.974 11.433) 12.455 9.654 ( -3.021 -22.033 7.458) 23.456 10.631 ( -0.816 16.956 0.977) 17.003 11.100 ( -0.489 -7.522 -0.311) 7.544 11.528 ( -1.163 2.644 0.602) 2.951 11.646 ( -0.709 -2.649 0.299) 2.758 11.968 ( -0.182 0.596 -3.037) 3.100 11.983 ( -0.378 -0.080 -3.153) 3.176 12.606 ( 0.565 1.632 -2.498) 3.036 12.673 ( 0.808 -0.695 -2.932) 3.120 12.684 ( -0.183 -0.277 -3.657) 3.672 12.704 ( 0.174 -0.226 -3.152) 3.165 15.965 ( 0.477 1.180 -0.047) 1.274 16.021 ( 0.518 -1.281 -0.086) 1.384 17.976 ( -2.321 6.523 0.659) 6.955 18.208 ( -5.472 -4.061 0.123) 6.815 18.861 ( 2.499 3.978 -2.304) 5.232 18.899 ( -0.763 0.437 0.702) 1.125 18.972 ( -2.695 2.071 6.096) 6.979 19.248 ( -1.271 -8.659 0.378) 8.760 19.440 ( 1.528 2.951 -2.765) 4.323 19.504 ( 1.476 -0.822 -1.677) 2.380 19.839 ( 0.073 0.265 0.406) 0.490 19.905 ( -0.661 -2.505 -1.966) 3.252 19.969 ( -1.836 1.778 2.438) 3.532 20.026 ( -1.313 -0.592 3.196) 3.505 20.557 ( 2.520 1.829 -0.007) 3.114 20.660 ( 2.132 -3.215 1.484) 4.133 21.035 ( -0.799 6.610 -0.106) 6.659 21.276 ( 0.028 -4.583 -0.388) 4.599 22.134 ( -0.640 2.333 -2.471) 3.458 22.235 ( -1.782 -2.285 -1.917) 3.474 22.488 ( -2.489 3.183 0.893) 4.138 22.658 ( -0.546 -4.550 1.137) 4.721 23.345 ( 5.670 1.548 -12.143) 13.491 23.381 ( 5.922 -0.228 -9.097) 10.858 ======================= Grid point 57 (28/111) ======================= q-point: (-0.50 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.373 3.806 3.287) 5.561 1.618 ( -5.388 -0.970 8.548) 10.151 1.675 ( -3.799 0.763 3.334) 5.112 1.842 ( 5.072 -1.020 5.086) 7.255 1.938 ( 3.465 -9.518 4.651) 11.146 1.977 ( -7.821 -3.561 1.386) 8.704 2.295 ( -2.141 9.422 0.908) 9.704 2.395 ( 0.341 1.899 3.123) 3.671 2.452 ( -5.294 0.401 3.002) 6.099 2.558 ( 0.129 2.155 6.954) 7.281 2.703 ( -1.715 0.586 6.300) 6.556 2.810 ( 1.543 8.634 5.022) 10.107 2.939 ( -3.610 1.397 -1.368) 4.106 3.095 ( 2.416 3.383 2.163) 4.686 3.328 ( -3.820 -10.543 13.107) 17.250 3.462 ( 4.781 -8.414 6.869) 11.868 3.911 ( -2.568 -0.857 -0.464) 2.747 3.949 ( 4.578 2.155 1.400) 5.250 4.010 ( -6.845 1.473 0.620) 7.029 4.260 ( 1.237 -2.627 3.875) 4.842 4.347 ( -4.121 7.537 8.095) 11.803 4.784 ( -3.516 -12.936 8.256) 15.744 4.890 ( -0.991 -2.419 -2.241) 3.443 4.966 ( -2.980 -1.983 -2.127) 4.164 5.300 ( 0.551 10.922 -1.715) 11.069 5.564 ( 2.138 -3.615 -6.367) 7.628 5.573 ( 0.604 10.679 -2.642) 11.017 5.820 ( 1.862 9.610 -2.254) 10.044 5.950 ( -0.060 0.969 -0.754) 1.229 6.320 ( 0.023 3.756 -3.724) 5.289 6.551 ( 1.070 -23.760 -6.412) 24.634 6.681 ( 2.785 -8.911 -8.050) 12.327 6.852 ( 2.190 0.343 0.267) 2.233 6.969 ( -1.338 -5.317 7.464) 9.262 7.025 ( -3.737 2.178 9.986) 10.883 7.126 ( -2.826 -3.524 13.691) 14.417 7.375 ( 0.095 2.094 -0.048) 2.097 7.454 ( -0.691 -0.053 -0.557) 0.889 7.634 ( 0.197 15.044 -5.223) 15.926 7.903 ( -2.272 7.422 5.893) 9.745 8.002 ( -0.951 -7.191 0.329) 7.261 8.374 ( 1.431 -8.301 -2.475) 8.780 8.452 ( 2.307 9.263 -8.610) 12.855 8.588 ( 1.919 13.017 -4.298) 13.842 8.688 ( 1.188 -0.502 -5.768) 5.910 8.933 ( 2.233 -3.863 -8.121) 9.266 9.059 ( -1.261 3.406 4.989) 6.171 9.316 ( -2.822 3.843 5.954) 7.628 9.494 ( -4.487 -3.759 11.324) 12.748 9.649 ( -2.801 -22.231 7.244) 23.548 10.620 ( -0.762 17.123 0.475) 17.146 11.092 ( -0.058 -7.496 -0.498) 7.513 11.521 ( -0.044 2.695 0.819) 2.817 11.642 ( 0.072 -2.771 0.516) 2.820 11.950 ( 0.771 0.728 -3.562) 3.717 11.968 ( 1.297 -0.160 -3.334) 3.581 12.605 ( 1.027 1.514 -2.321) 2.956 12.666 ( 0.882 -0.688 -3.185) 3.375 12.679 ( 1.870 -0.243 -2.741) 3.327 12.696 ( 1.196 -0.204 -2.689) 2.950 15.972 ( 0.161 1.128 0.125) 1.146 16.026 ( 0.060 -1.268 -0.048) 1.271 17.951 ( -0.624 5.637 0.441) 5.688 18.143 ( -0.999 -3.120 -0.196) 3.282 18.870 ( -0.028 2.352 -1.874) 3.008 18.884 ( -0.974 1.390 -0.098) 1.700 18.970 ( -1.692 1.797 5.240) 5.793 19.232 ( -0.638 -8.674 -0.312) 8.703 19.443 ( 0.793 3.677 -2.468) 4.499 19.515 ( 0.665 -0.676 -1.395) 1.687 19.857 ( 1.437 -1.635 -0.315) 2.200 19.890 ( 0.795 -2.193 -2.334) 3.300 19.971 ( -0.326 2.793 4.496) 5.303 20.035 ( -0.249 -0.341 3.593) 3.618 20.593 ( 0.627 1.470 1.002) 1.887 20.690 ( -0.315 -3.538 1.940) 4.048 21.030 ( 0.168 7.264 0.312) 7.273 21.280 ( 0.437 -4.546 0.417) 4.586 22.127 ( 1.483 1.915 -1.703) 2.961 22.217 ( 1.179 -2.151 -1.246) 2.751 22.471 ( -0.168 3.779 1.428) 4.043 22.661 ( -0.039 -4.806 1.486) 5.030 23.348 ( 3.543 2.358 -11.861) 12.602 23.424 ( 4.821 -1.184 -8.449) 9.799 ======================= Grid point 58 (29/111) ======================= q-point: (-0.38 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -11.250 6.585 2.306) 13.238 1.536 ( -11.777 -2.763 8.007) 14.507 1.621 ( -1.466 4.546 10.446) 11.487 1.683 ( -18.528 4.646 1.390) 19.152 1.881 ( -4.446 -12.991 3.735) 14.230 2.106 ( 6.279 -4.689 6.147) 9.960 2.325 ( 1.874 0.059 0.103) 1.878 2.388 ( -1.119 -2.495 0.317) 2.753 2.468 ( -3.455 6.274 4.680) 8.556 2.616 ( 2.441 3.963 5.798) 7.435 2.724 ( 0.287 -3.717 6.767) 7.726 2.829 ( -5.360 1.498 -1.330) 5.722 2.939 ( 4.444 8.925 8.412) 13.045 3.153 ( 2.322 11.575 6.239) 13.353 3.341 ( -3.066 -11.776 11.265) 16.582 3.617 ( 4.490 -5.632 8.302) 10.991 3.751 ( -10.914 3.686 4.654) 12.424 3.936 ( -0.341 2.812 -3.790) 4.732 4.002 ( 0.037 -0.150 -0.302) 0.339 4.279 ( -4.053 11.699 5.576) 13.579 4.323 ( -2.965 -18.141 5.486) 19.183 4.762 ( -3.748 -13.418 6.158) 15.232 4.848 ( -2.292 0.907 -2.289) 3.364 4.907 ( 0.290 0.200 -5.219) 5.230 5.318 ( 2.730 8.588 -2.671) 9.399 5.560 ( 1.598 -7.371 -5.500) 9.335 5.567 ( 0.211 13.186 -1.540) 13.278 5.838 ( 1.904 9.881 -2.554) 10.382 5.936 ( -0.576 1.252 -1.511) 2.045 6.287 ( -0.499 2.235 -3.307) 4.023 6.544 ( 2.443 -20.545 -5.484) 21.404 6.681 ( 3.090 -9.394 -8.297) 12.909 6.883 ( -0.265 -0.169 2.265) 2.287 6.989 ( -2.315 -5.674 7.986) 10.067 7.018 ( -3.903 3.552 9.379) 10.761 7.144 ( -4.682 -2.866 11.321) 12.582 7.369 ( -0.997 1.151 0.457) 1.590 7.417 ( -2.264 0.303 -1.354) 2.655 7.610 ( 1.109 13.657 -4.950) 14.568 7.899 ( -1.895 7.155 4.332) 8.576 7.994 ( -0.624 -6.137 1.564) 6.364 8.381 ( 1.142 -7.756 -2.961) 8.380 8.435 ( 2.292 8.147 -8.153) 11.751 8.590 ( 1.535 11.811 -4.711) 12.808 8.673 ( 1.481 0.142 -5.622) 5.816 8.916 ( 2.171 -2.938 -8.575) 9.321 9.076 ( -0.971 3.021 5.632) 6.464 9.288 ( -4.063 4.129 5.410) 7.926 9.473 ( -5.765 -3.696 11.134) 13.072 9.649 ( -2.283 -22.115 6.703) 23.221 10.610 ( -0.331 17.283 -0.001) 17.286 11.093 ( 0.693 -7.767 -0.695) 7.828 11.537 ( 0.907 2.587 1.126) 2.964 11.655 ( 0.694 -2.752 0.793) 2.947 11.953 ( 2.188 1.176 -3.665) 4.427 11.984 ( 2.621 -0.328 -3.226) 4.169 12.614 ( 1.535 1.292 -2.148) 2.939 12.672 ( 1.857 -1.348 -2.858) 3.665 12.705 ( 2.874 0.229 -3.048) 4.195 12.711 ( 2.177 0.165 -2.723) 3.490 15.972 ( -0.260 1.031 0.277) 1.099 16.022 ( -0.416 -1.172 -0.024) 1.244 17.961 ( 1.736 6.924 -0.340) 7.147 18.162 ( 2.998 -2.687 -0.751) 4.095 18.839 ( -1.674 3.423 -2.565) 4.593 18.860 ( -0.858 0.972 -0.672) 1.460 18.982 ( -0.946 1.181 5.553) 5.756 19.219 ( -0.153 -8.407 -0.594) 8.429 19.439 ( 0.532 3.901 -2.216) 4.518 19.512 ( -0.044 -0.599 -1.029) 1.192 19.886 ( 2.214 -1.821 -1.419) 3.198 19.903 ( 1.861 -1.874 -1.540) 3.057 20.022 ( 1.248 2.027 6.819) 7.223 20.067 ( 0.693 0.262 4.520) 4.580 20.589 ( -2.003 1.246 1.603) 2.852 20.673 ( -3.018 -3.007 2.273) 4.829 21.044 ( 1.030 6.969 0.325) 7.053 21.298 ( 0.947 -4.860 0.452) 4.972 22.167 ( 3.632 1.754 -1.207) 4.210 22.257 ( 3.487 -2.193 -1.265) 4.309 22.502 ( 2.214 3.968 1.483) 4.780 22.679 ( 0.688 -4.123 2.069) 4.664 23.315 ( 1.505 3.264 -11.155) 11.720 23.447 ( 3.652 -2.696 -8.386) 9.536 ======================= Grid point 59 (30/111) ======================= q-point: (-0.25 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -19.113 7.929 5.620) 21.442 1.260 ( -23.092 6.434 7.549) 25.132 1.405 ( -9.811 -6.843 7.720) 14.236 1.693 ( -1.950 1.626 9.828) 10.151 1.848 ( 0.262 -5.124 4.112) 6.575 2.112 ( -18.820 13.723 2.433) 23.419 2.175 ( -11.599 4.112 2.328) 12.524 2.393 ( 1.370 -2.996 -1.666) 3.692 2.407 ( 0.406 -3.966 12.529) 13.148 2.705 ( -1.110 -0.183 -0.511) 1.235 2.757 ( 1.856 -5.464 1.933) 6.085 2.836 ( 3.125 -1.942 7.615) 8.457 3.079 ( 2.267 5.270 11.741) 13.067 3.297 ( 5.788 13.827 5.141) 15.847 3.340 ( -3.849 -10.576 6.472) 12.983 3.649 ( -2.882 2.234 5.732) 6.794 3.739 ( 3.237 -5.564 3.314) 7.240 3.925 ( 1.718 4.089 -1.375) 4.643 3.980 ( -1.266 1.178 1.322) 2.177 4.199 ( -7.542 -7.907 4.524) 11.826 4.285 ( -3.604 -5.021 2.936) 6.843 4.747 ( -0.148 -0.761 -0.295) 0.830 4.810 ( -3.377 -6.095 5.390) 8.809 4.855 ( -0.398 -1.795 -8.098) 8.304 5.351 ( 2.808 6.712 -4.427) 8.517 5.540 ( -0.356 -9.411 -4.004) 10.233 5.560 ( -0.171 15.579 -0.363) 15.584 5.860 ( 2.358 8.124 -3.321) 9.088 5.911 ( -0.518 2.461 -1.838) 3.115 6.261 ( -0.180 2.330 -2.083) 3.130 6.560 ( 2.763 -16.598 -4.865) 17.515 6.684 ( 3.067 -11.440 -7.683) 14.118 6.876 ( -2.760 -0.773 4.714) 5.517 6.986 ( -3.533 -6.575 6.802) 10.098 7.005 ( -3.800 3.931 7.355) 9.164 7.106 ( -6.098 -3.047 8.276) 10.722 7.332 ( -4.206 0.349 3.236) 5.319 7.365 ( -0.863 -0.297 -3.461) 3.580 7.609 ( 2.247 13.217 -4.355) 14.096 7.894 ( -1.653 7.098 4.423) 8.525 7.995 ( -0.829 -5.874 2.205) 6.329 8.374 ( 1.110 -4.985 -4.896) 7.075 8.431 ( 2.456 4.917 -6.106) 8.215 8.582 ( 1.191 10.609 -4.819) 11.713 8.671 ( 2.320 1.565 -5.165) 5.874 8.901 ( 2.462 -1.941 -8.157) 8.739 9.097 ( -1.183 2.460 5.903) 6.504 9.244 ( -4.119 4.375 5.093) 7.877 9.435 ( -5.915 -3.815 10.903) 12.978 9.653 ( -2.090 -21.710 6.342) 22.714 10.609 ( 0.267 17.618 -0.036) 17.621 11.109 ( 1.411 -8.178 -0.746) 8.332 11.566 ( 1.103 2.383 1.339) 2.947 11.676 ( 0.750 -2.594 0.968) 2.869 11.980 ( 3.038 1.627 -3.377) 4.825 12.018 ( 2.926 -0.305 -2.939) 4.159 12.633 ( 1.869 1.087 -2.130) 3.035 12.692 ( 2.129 -1.724 -2.846) 3.950 12.738 ( 2.515 0.744 -2.828) 3.857 12.744 ( 3.479 0.280 -3.992) 5.303 15.967 ( -0.492 0.931 0.325) 1.102 16.012 ( -0.581 -1.064 -0.018) 1.212 18.014 ( 4.598 10.089 -2.285) 11.320 18.234 ( 4.520 -2.378 -0.292) 5.116 18.781 ( -1.685 5.343 -2.775) 6.251 18.845 ( 0.186 0.441 -1.689) 1.756 19.019 ( 0.521 1.171 6.972) 7.089 19.227 ( 1.653 -7.396 -0.852) 7.626 19.436 ( 0.898 3.899 -2.272) 4.601 19.505 ( 0.070 -0.478 -0.710) 0.859 19.923 ( 2.458 -0.684 -0.643) 2.631 19.939 ( 2.331 -0.815 -0.245) 2.482 20.101 ( 1.480 0.514 6.700) 6.880 20.132 ( 2.108 0.223 6.993) 7.307 20.541 ( -3.782 1.207 1.428) 4.219 20.608 ( -5.110 -2.021 2.366) 5.983 21.074 ( 1.832 6.023 -0.131) 6.297 21.317 ( 0.683 -5.031 -0.172) 5.080 22.246 ( 5.198 1.221 -1.085) 5.449 22.319 ( 3.774 -1.903 -2.301) 4.812 22.573 ( 4.189 4.300 0.785) 6.054 22.718 ( 1.530 -2.489 2.623) 3.927 23.248 ( -0.514 3.713 -10.427) 11.081 23.442 ( 1.871 -5.215 -9.144) 10.692 ======================= Grid point 60 (31/111) ======================= q-point: (-0.12 0.25 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -21.970 11.493 8.147) 26.099 0.930 ( -16.706 16.883 12.402) 26.794 1.312 ( -6.656 -12.167 11.949) 18.306 1.624 ( -30.190 29.581 22.749) 48.000 1.684 ( -3.089 -11.453 5.651) 13.140 1.940 ( 4.175 8.889 2.380) 10.105 2.060 ( -4.151 3.038 -8.261) 9.732 2.412 ( 1.530 -3.766 -0.432) 4.088 2.492 ( -1.165 -2.891 10.142) 10.610 2.630 ( -4.843 -8.818 1.257) 10.139 2.802 ( 0.768 0.128 2.585) 2.699 2.963 ( 3.631 -4.773 7.863) 9.889 3.159 ( -2.067 -2.132 7.835) 8.379 3.284 ( -5.309 -10.225 7.088) 13.527 3.394 ( 2.437 5.495 0.870) 6.074 3.658 ( -1.428 -0.013 1.450) 2.035 3.791 ( 1.034 -3.658 0.098) 3.802 3.975 ( 0.578 -6.540 -0.198) 6.568 4.009 ( 1.548 0.933 0.701) 1.939 4.099 ( 0.492 -4.809 2.514) 5.449 4.253 ( -3.111 10.262 7.922) 13.332 4.670 ( -5.294 5.893 -6.338) 10.145 4.790 ( 0.266 -1.421 -0.500) 1.530 4.833 ( -2.687 -10.009 6.890) 12.445 5.355 ( 1.144 4.676 -5.025) 6.959 5.489 ( -1.302 -8.928 -5.152) 10.389 5.559 ( -0.163 18.406 1.299) 18.453 5.859 ( 0.319 7.035 -5.407) 8.879 5.905 ( 0.700 2.335 0.205) 2.446 6.249 ( 0.031 4.054 -0.969) 4.168 6.578 ( 2.696 -12.777 -4.572) 13.836 6.688 ( 2.420 -14.820 -6.544) 16.380 6.849 ( -3.113 -1.098 3.480) 4.797 6.945 ( -6.185 -2.131 10.214) 12.129 6.974 ( -4.034 -0.469 5.950) 7.204 7.042 ( -4.854 -5.954 5.011) 9.172 7.281 ( -2.649 -0.152 3.248) 4.194 7.333 ( -0.341 -0.881 -2.091) 2.294 7.632 ( 3.047 13.338 -4.046) 14.267 7.898 ( -1.684 7.174 5.775) 9.362 7.988 ( -1.165 -6.180 1.472) 6.459 8.359 ( 1.254 -3.539 -5.619) 6.758 8.445 ( 3.018 3.727 -4.748) 6.749 8.571 ( 1.117 10.137 -4.487) 11.142 8.689 ( 3.119 2.615 -4.936) 6.398 8.896 ( 2.734 -1.711 -7.436) 8.106 9.110 ( -1.827 1.985 5.792) 6.390 9.209 ( -2.998 4.505 5.284) 7.564 9.405 ( -5.001 -3.995 10.759) 12.519 9.656 ( -2.351 -21.607 6.567) 22.705 10.623 ( 1.028 18.124 0.130) 18.153 11.132 ( 1.342 -8.387 -0.859) 8.537 11.592 ( 0.442 2.175 1.323) 2.584 11.693 ( 0.221 -2.399 0.929) 2.582 12.016 ( 2.930 1.839 -3.319) 4.794 12.049 ( 2.202 -0.114 -2.661) 3.456 12.651 ( 1.485 1.063 -2.448) 3.054 12.710 ( 1.739 -1.820 -3.002) 3.918 12.763 ( 2.184 1.130 -3.448) 4.235 12.778 ( 3.050 0.219 -4.589) 5.514 15.959 ( -0.445 0.893 0.243) 1.027 16.002 ( -0.390 -0.997 -0.035) 1.071 18.090 ( 5.517 12.086 -7.039) 15.035 18.335 ( 5.094 -4.518 2.457) 7.239 18.760 ( 2.496 7.323 -4.167) 8.788 18.844 ( 1.148 -0.152 -2.390) 2.656 19.125 ( 5.588 2.244 8.013) 10.023 19.267 ( 3.111 -4.518 -1.870) 5.796 19.441 ( 1.248 3.786 -2.943) 4.955 19.505 ( 0.355 -0.315 -0.614) 0.776 19.970 ( 1.934 0.878 1.122) 2.402 19.979 ( 0.681 0.640 2.333) 2.513 20.159 ( 0.339 0.820 3.828) 3.930 20.246 ( 2.996 -3.586 7.631) 8.949 20.476 ( -3.332 1.115 0.802) 3.604 20.524 ( -4.654 -1.085 2.040) 5.196 21.107 ( 1.810 5.029 -0.897) 5.419 21.320 ( 0.176 -4.598 -1.108) 4.733 22.340 ( 4.895 -0.294 -2.071) 5.323 22.361 ( 2.682 -0.828 -2.849) 3.999 22.673 ( 6.190 5.623 -0.939) 8.415 22.769 ( 1.841 0.268 1.671) 2.501 23.158 ( -0.879 2.456 -9.490) 9.842 23.354 ( -4.875 -7.902 -11.810) 15.023 ======================= Grid point 61 (32/111) ======================= q-point: ( 0.00 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.932 -18.409 11.551) 21.753 0.964 ( -0.932 18.409 11.551) 21.753 1.301 ( -2.256 -22.343 11.351) 25.163 1.301 ( -2.256 22.343 11.351) 25.163 1.924 ( -6.640 -8.660 1.527) 11.019 1.924 ( -6.640 8.660 1.527) 11.019 2.186 ( -0.345 -27.959 3.439) 28.172 2.186 ( -0.345 27.959 3.439) 28.172 2.470 ( -1.505 -2.291 3.978) 4.832 2.470 ( -1.505 2.291 3.978) 4.832 2.944 ( -0.241 -6.034 2.127) 6.403 2.944 ( -0.241 6.034 2.127) 6.403 3.079 ( -4.788 -5.432 9.449) 11.905 3.079 ( -4.788 5.432 9.449) 11.905 3.514 ( -1.053 -9.033 0.285) 9.099 3.514 ( -1.053 9.033 0.285) 9.099 3.736 ( -0.700 -0.905 -2.993) 3.204 3.736 ( -0.700 0.905 -2.993) 3.204 4.127 ( 1.331 -3.043 1.589) 3.682 4.127 ( 1.331 3.043 1.589) 3.682 4.637 ( -1.549 -14.208 9.465) 17.142 4.637 ( -1.549 14.208 9.465) 17.142 4.720 ( -1.212 -5.663 0.306) 5.800 4.720 ( -1.212 5.663 0.306) 5.800 5.367 ( 2.768 -2.683 -4.254) 5.741 5.367 ( 2.768 2.683 -4.254) 5.741 5.854 ( 0.986 -8.171 -0.867) 8.276 5.854 ( 0.986 8.171 -0.867) 8.276 6.153 ( 1.262 -23.654 -1.612) 23.742 6.153 ( 1.262 23.654 -1.612) 23.742 6.480 ( 2.383 -11.341 -6.297) 13.189 6.480 ( 2.383 11.341 -6.297) 13.189 6.826 ( -3.262 -4.211 2.996) 6.111 6.826 ( -3.262 4.211 2.996) 6.111 6.940 ( -4.760 -0.666 11.559) 12.518 6.940 ( -4.760 0.666 11.559) 12.518 7.307 ( 1.192 -1.566 1.057) 2.234 7.307 ( 1.192 1.566 1.057) 2.234 7.843 ( 2.026 -7.516 -0.883) 7.835 7.843 ( 2.026 7.516 -0.883) 7.835 8.144 ( -0.897 -14.526 1.969) 14.686 8.144 ( -0.897 14.526 1.969) 14.686 8.607 ( 4.239 -5.655 -8.868) 11.340 8.607 ( 4.239 5.655 -8.868) 11.340 8.834 ( 3.234 -6.663 -6.717) 9.999 8.834 ( 3.234 6.663 -6.717) 9.999 9.235 ( -2.745 -11.100 5.612) 12.737 9.235 ( -2.745 11.100 5.612) 12.737 9.340 ( -3.826 -6.820 12.117) 14.421 9.340 ( -3.826 6.820 12.117) 14.421 10.933 ( 0.175 -14.721 -0.587) 14.733 10.933 ( 0.175 14.721 -0.587) 14.733 11.646 ( -0.565 -3.014 0.826) 3.176 11.646 ( -0.565 3.014 0.826) 3.176 12.055 ( 1.048 -0.685 -2.884) 3.144 12.055 ( 1.048 0.685 -2.884) 3.144 12.681 ( 0.867 -1.856 -2.986) 3.621 12.681 ( 0.867 1.856 -2.986) 3.621 12.785 ( 1.247 -0.633 -4.357) 4.576 12.785 ( 1.247 0.633 -4.357) 4.576 15.975 ( -0.099 -1.340 0.017) 1.344 15.975 ( -0.099 1.340 0.017) 1.344 18.284 ( 2.019 -8.370 -3.128) 9.161 18.284 ( 2.019 8.370 -3.128) 9.161 18.841 ( 2.175 -1.161 -3.952) 4.658 18.841 ( 2.175 1.161 -3.952) 4.658 19.286 ( 2.765 -2.251 -0.597) 3.616 19.286 ( 2.765 2.251 -0.597) 3.616 19.473 ( -1.542 -2.651 -1.474) 3.403 19.473 ( -1.542 2.651 -1.474) 3.403 20.012 ( -1.546 -1.361 4.143) 4.626 20.012 ( -1.546 1.361 4.143) 4.626 20.151 ( -6.160 -1.442 0.139) 6.328 20.151 ( -6.160 1.442 0.139) 6.328 20.462 ( -0.614 -1.222 0.798) 1.583 20.462 ( -0.614 1.222 0.798) 1.583 21.215 ( 0.102 -5.869 -1.708) 6.114 21.215 ( 0.102 5.869 -1.708) 6.114 22.366 ( 0.389 -1.475 -3.866) 4.156 22.366 ( 0.389 1.475 -3.866) 4.156 22.790 ( -1.690 -2.745 -2.738) 4.229 22.790 ( -1.690 2.745 -2.738) 4.229 23.143 ( 3.762 -1.327 -8.067) 8.999 23.143 ( 3.762 1.327 -8.067) 8.999 ======================= Grid point 63 (33/111) ======================= q-point: ( 0.12 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 4.992 -13.036 5.448) 14.985 1.079 ( 4.992 13.036 5.448) 14.985 1.404 ( 3.159 -19.971 13.025) 24.052 1.404 ( 3.159 19.971 13.025) 24.052 1.885 ( -0.474 -4.994 5.296) 7.295 1.885 ( -0.474 4.994 5.296) 7.295 2.272 ( 6.190 -26.281 4.231) 27.330 2.272 ( 6.190 26.281 4.231) 27.330 2.471 ( 0.112 -2.941 3.741) 4.759 2.471 ( 0.112 2.941 3.741) 4.759 2.881 ( -5.202 -2.829 -2.558) 6.451 2.881 ( -5.202 2.829 -2.558) 6.451 3.076 ( -4.119 -8.578 10.467) 14.145 3.076 ( -4.119 8.578 10.467) 14.145 3.508 ( 0.697 -6.264 1.004) 6.382 3.508 ( 0.697 6.264 1.004) 6.382 3.680 ( -3.578 -8.374 -6.971) 11.469 3.680 ( -3.578 8.374 -6.971) 11.469 4.137 ( -0.855 -1.122 2.985) 3.301 4.137 ( -0.855 1.122 2.985) 3.301 4.604 ( -6.124 -15.767 10.601) 19.962 4.604 ( -6.124 15.767 10.601) 19.962 4.795 ( 5.969 -6.074 0.772) 8.551 4.795 ( 5.969 6.074 0.772) 8.551 5.411 ( 3.953 -4.181 -3.298) 6.633 5.411 ( 3.953 4.181 -3.298) 6.633 5.861 ( 0.342 -9.120 -1.222) 9.208 5.861 ( 0.342 9.120 -1.222) 9.208 6.157 ( 0.229 -24.951 -1.395) 24.991 6.157 ( 0.229 24.951 -1.395) 24.991 6.489 ( 3.088 -12.259 -6.590) 14.256 6.489 ( 3.088 12.259 -6.590) 14.256 6.800 ( -0.290 -4.331 -0.031) 4.341 6.800 ( -0.290 4.331 -0.031) 4.341 6.951 ( -3.355 -0.652 12.910) 13.355 6.951 ( -3.355 0.652 12.910) 13.355 7.348 ( 1.845 -1.352 1.071) 2.525 7.348 ( 1.845 1.352 1.071) 2.525 7.875 ( 1.674 -7.448 -0.877) 7.684 7.875 ( 1.674 7.448 -0.877) 7.684 8.142 ( -0.974 -14.546 2.599) 14.808 8.142 ( -0.974 14.546 2.599) 14.808 8.622 ( 3.629 -5.855 -8.550) 10.980 8.622 ( 3.629 5.855 -8.550) 10.980 8.845 ( 2.545 -6.999 -6.451) 9.853 8.845 ( 2.545 6.999 -6.451) 9.853 9.226 ( -2.449 -13.595 5.957) 15.044 9.226 ( -2.449 13.595 5.957) 15.044 9.362 ( -2.896 -6.177 12.220) 13.995 9.362 ( -2.896 6.177 12.220) 13.995 10.926 ( -0.473 -14.508 -0.117) 14.517 10.926 ( -0.473 14.508 -0.117) 14.517 11.633 ( -1.297 -3.134 0.564) 3.438 11.633 ( -1.297 3.134 0.564) 3.438 12.042 ( -0.271 -0.698 -2.681) 2.784 12.042 ( -0.271 0.698 -2.681) 2.784 12.670 ( 0.244 -2.027 -2.985) 3.617 12.670 ( 0.244 2.027 -2.985) 3.617 12.765 ( -0.014 -0.531 -4.453) 4.485 12.765 ( -0.014 0.531 -4.453) 4.485 15.976 ( 0.233 -1.485 -0.098) 1.506 15.976 ( 0.233 1.485 -0.098) 1.506 18.273 ( -1.423 -10.145 -2.346) 10.509 18.273 ( -1.423 10.145 -2.346) 10.509 18.860 ( 2.247 -1.568 -2.907) 3.995 18.860 ( 2.247 1.568 -2.907) 3.995 19.243 ( -7.571 -7.335 2.856) 10.922 19.243 ( -7.571 7.335 2.856) 10.922 19.441 ( 0.912 -2.873 -2.489) 3.909 19.441 ( 0.912 2.873 -2.489) 3.909 19.961 ( -5.554 -3.049 3.097) 7.052 19.961 ( -5.554 3.049 3.097) 7.052 20.053 ( -2.459 -2.844 -0.233) 3.767 20.053 ( -2.459 2.844 -0.233) 3.767 20.486 ( 2.339 -1.763 0.542) 2.979 20.486 ( 2.339 1.763 0.542) 2.979 21.198 ( -0.497 -6.037 -1.836) 6.329 21.198 ( -0.497 6.037 -1.836) 6.329 22.317 ( -2.191 -3.370 -3.675) 5.446 22.317 ( -2.191 3.370 -3.675) 5.446 22.690 ( -4.968 -1.771 -1.302) 5.433 22.690 ( -4.968 1.771 -1.302) 5.433 23.227 ( 9.005 -1.602 -9.790) 13.398 23.227 ( 9.005 1.602 -9.790) 13.398 ======================= Grid point 65 (34/111) ======================= q-point: ( 0.25 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.103 -8.005 0.625) 11.407 1.225 ( 8.103 8.005 0.625) 11.407 1.573 ( 4.299 -15.977 12.698) 20.856 1.573 ( 4.299 15.977 12.698) 20.856 1.924 ( -0.383 -9.688 4.833) 10.833 1.924 ( -0.383 9.688 4.833) 10.833 2.398 ( 3.097 -2.793 3.347) 5.348 2.398 ( 3.097 2.793 3.347) 5.348 2.566 ( 2.764 -12.384 3.109) 13.064 2.566 ( 2.764 12.384 3.109) 13.064 2.770 ( -1.607 -2.605 1.685) 3.494 2.770 ( -1.607 2.605 1.685) 3.494 3.040 ( -6.330 -9.207 7.556) 13.488 3.040 ( -6.330 9.207 7.556) 13.488 3.466 ( -8.819 -4.627 -4.874) 11.088 3.466 ( -8.819 4.627 -4.874) 11.088 3.611 ( 6.069 -5.384 0.283) 8.118 3.611 ( 6.069 5.384 0.283) 8.118 4.158 ( 0.531 -2.767 2.920) 4.058 4.158 ( 0.531 2.767 2.920) 4.058 4.574 ( -4.993 -14.985 10.916) 19.200 4.574 ( -4.993 14.985 10.916) 19.200 4.909 ( 3.868 -3.665 1.541) 5.547 4.909 ( 3.868 3.665 1.541) 5.547 5.455 ( 2.735 -5.602 -3.513) 7.156 5.455 ( 2.735 5.602 -3.513) 7.156 5.850 ( 0.033 -10.123 -2.381) 10.399 5.850 ( 0.033 10.123 -2.381) 10.399 6.144 ( -0.397 -24.735 -1.459) 24.781 6.144 ( -0.397 24.735 -1.459) 24.781 6.500 ( 2.830 -12.612 -6.810) 14.610 6.500 ( 2.830 12.612 -6.810) 14.610 6.809 ( 1.252 -3.856 -0.690) 4.113 6.809 ( 1.252 3.856 -0.690) 4.113 6.988 ( -2.393 -0.945 13.206) 13.454 6.988 ( -2.393 0.945 13.206) 13.454 7.386 ( 1.458 -2.410 0.678) 2.897 7.386 ( 1.458 2.410 0.678) 2.897 7.888 ( 0.393 -7.671 -1.262) 7.784 7.888 ( 0.393 7.671 -1.262) 7.784 8.140 ( -1.190 -14.967 2.809) 15.275 8.140 ( -1.190 14.967 2.809) 15.275 8.627 ( 3.439 -6.274 -9.378) 11.796 8.627 ( 3.439 6.274 -9.378) 11.796 8.843 ( 1.906 -7.892 -6.031) 10.114 8.843 ( 1.906 7.892 -6.031) 10.114 9.224 ( -2.246 -15.805 6.307) 17.165 9.224 ( -2.246 15.805 6.307) 17.165 9.395 ( -2.714 -5.014 12.066) 13.345 9.395 ( -2.714 5.014 12.066) 13.345 10.917 ( -0.446 -13.970 0.242) 13.979 10.917 ( -0.446 13.970 0.242) 13.979 11.608 ( -1.456 -3.398 0.402) 3.719 11.608 ( -1.456 3.398 0.402) 3.719 12.011 ( -0.788 -0.625 -2.755) 2.933 12.011 ( -0.788 0.625 -2.755) 2.933 12.653 ( 0.233 -2.108 -2.785) 3.501 12.653 ( 0.233 2.108 -2.785) 3.501 12.728 ( -0.525 -0.453 -4.126) 4.184 12.728 ( -0.525 0.453 -4.126) 4.184 15.983 ( 0.499 -1.653 -0.125) 1.732 15.983 ( 0.499 1.653 -0.125) 1.732 18.198 ( -4.541 -9.271 -1.190) 10.391 18.198 ( -4.541 9.271 -1.190) 10.391 18.886 ( 1.826 -1.534 -1.490) 2.812 18.886 ( 1.826 1.534 -1.490) 2.812 19.125 ( -6.060 -9.785 4.859) 12.493 19.125 ( -6.060 9.785 4.859) 12.493 19.458 ( 2.251 -1.904 -2.688) 3.990 19.458 ( 2.251 1.904 -2.688) 3.990 19.894 ( -2.227 -2.717 -0.534) 3.553 19.894 ( -2.227 2.717 -0.534) 3.553 20.019 ( -2.188 -1.571 2.379) 3.594 20.019 ( -2.188 1.571 2.379) 3.594 20.546 ( 3.054 -2.699 0.530) 4.110 20.546 ( 3.054 2.699 0.530) 4.110 21.176 ( -0.438 -6.809 -1.220) 6.932 21.176 ( -0.438 6.809 -1.220) 6.932 22.244 ( -2.622 -3.734 -3.069) 5.499 22.244 ( -2.622 3.734 -3.069) 5.499 22.606 ( -3.164 -3.407 0.032) 4.649 22.606 ( -3.164 3.407 0.032) 4.649 23.317 ( 7.494 -1.239 -10.531) 12.985 23.317 ( 7.494 1.239 -10.531) 12.985 ======================= Grid point 67 (35/111) ======================= q-point: ( 0.38 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 8.927 -7.317 2.623) 11.837 1.405 ( 8.927 7.317 2.623) 11.837 1.720 ( 2.376 -9.772 7.337) 12.449 1.720 ( 2.376 9.772 7.337) 12.449 1.927 ( -1.519 -8.876 2.941) 9.473 1.927 ( -1.519 8.876 2.941) 9.473 2.466 ( -3.140 -3.211 3.724) 5.834 2.466 ( -3.140 3.211 3.724) 5.834 2.509 ( -0.826 -3.743 2.377) 4.510 2.509 ( -0.826 3.743 2.377) 4.510 2.825 ( -6.310 -9.952 8.868) 14.748 2.825 ( -6.310 9.952 8.868) 14.748 3.002 ( 3.352 -10.936 0.892) 11.473 3.002 ( 3.352 10.936 0.892) 11.473 3.292 ( -4.922 -3.127 -0.333) 5.841 3.292 ( -4.922 3.127 -0.333) 5.841 3.775 ( 8.091 -2.072 1.762) 8.536 3.775 ( 8.091 2.072 1.762) 8.536 4.184 ( -0.446 -4.610 3.180) 5.618 4.184 ( -0.446 4.610 3.180) 5.618 4.559 ( -4.685 -13.927 10.928) 18.311 4.559 ( -4.685 13.927 10.928) 18.311 4.941 ( -1.117 -2.066 0.188) 2.356 4.941 ( -1.117 2.066 0.188) 2.356 5.467 ( 1.640 -6.144 -4.501) 7.791 5.467 ( 1.640 6.144 -4.501) 7.791 5.835 ( 0.402 -11.235 -2.872) 11.603 5.835 ( 0.402 11.235 -2.872) 11.603 6.126 ( -0.209 -23.040 -1.840) 23.114 6.126 ( -0.209 23.040 -1.840) 23.114 6.498 ( 2.047 -11.721 -7.135) 13.874 6.498 ( 2.047 11.721 -7.135) 13.874 6.838 ( 1.491 -3.676 1.560) 4.263 6.838 ( 1.491 3.676 1.560) 4.263 7.038 ( -2.327 -1.278 12.925) 13.195 7.038 ( -2.327 1.278 12.925) 13.195 7.414 ( 0.956 -2.889 0.184) 3.049 7.414 ( 0.956 2.889 0.184) 3.049 7.874 ( -0.551 -8.025 -2.221) 8.345 7.874 ( -0.551 8.025 -2.221) 8.345 8.139 ( -0.892 -15.297 2.744) 15.567 8.139 ( -0.892 15.297 2.744) 15.567 8.623 ( 3.298 -6.364 -10.422) 12.649 8.623 ( 3.298 6.364 -10.422) 12.649 8.837 ( 1.930 -8.527 -6.166) 10.698 8.837 ( 1.930 8.527 -6.166) 10.698 9.227 ( -2.256 -16.917 6.805) 18.374 9.227 ( -2.256 16.917 6.805) 18.374 9.421 ( -3.380 -4.373 11.620) 12.867 9.421 ( -3.380 4.373 11.620) 12.867 10.910 ( -0.505 -13.665 0.149) 13.676 10.910 ( -0.505 13.665 0.149) 13.676 11.587 ( -0.936 -3.660 0.422) 3.802 11.587 ( -0.936 3.660 0.422) 3.802 11.978 ( -0.293 -0.429 -3.123) 3.166 11.978 ( -0.293 0.429 -3.123) 3.166 12.642 ( 0.585 -2.138 -2.622) 3.433 12.642 ( 0.585 2.138 -2.622) 3.433 12.694 ( 0.072 -0.763 -3.465) 3.549 12.694 ( 0.072 0.763 -3.465) 3.549 15.992 ( 0.477 -1.732 -0.059) 1.798 15.992 ( 0.477 1.732 -0.059) 1.798 18.106 ( -3.776 -7.103 -0.307) 8.050 18.106 ( -3.776 7.103 -0.307) 8.050 18.901 ( 0.214 -0.558 -0.141) 0.614 18.901 ( 0.214 0.558 -0.141) 0.614 19.079 ( -2.126 -9.303 3.269) 10.087 19.079 ( -2.126 9.303 3.269) 10.087 19.481 ( 1.854 -1.800 -2.331) 3.480 19.481 ( 1.854 1.800 -2.331) 3.480 19.861 ( -0.375 -2.120 -1.731) 2.763 19.861 ( -0.375 2.120 -1.731) 2.763 20.003 ( -1.440 -1.810 3.387) 4.102 20.003 ( -1.440 1.810 3.387) 4.102 20.602 ( 1.976 -3.087 0.966) 3.791 20.602 ( 1.976 3.087 0.966) 3.791 21.166 ( -0.047 -7.396 -0.349) 7.404 21.166 ( -0.047 7.396 -0.349) 7.404 22.185 ( -1.255 -3.119 -2.243) 4.041 22.185 ( -1.255 3.119 -2.243) 4.041 22.565 ( -1.428 -5.220 0.806) 5.472 22.565 ( -1.428 5.220 0.806) 5.472 23.370 ( 5.700 -1.072 -10.364) 11.877 23.370 ( 5.700 1.072 -10.364) 11.877 ======================= Grid point 69 (36/111) ======================= q-point: (-0.50 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 3.659 -3.559 6.332) 8.133 1.573 ( 3.659 3.559 6.332) 8.133 1.724 ( -5.705 -5.354 3.486) 8.565 1.724 ( -5.705 5.354 3.486) 8.565 1.935 ( -0.136 -3.127 2.557) 4.042 1.935 ( -0.136 3.127 2.557) 4.042 2.378 ( -3.656 -2.651 0.392) 4.533 2.378 ( -3.656 2.651 0.392) 4.533 2.565 ( -0.238 -4.527 4.547) 6.421 2.565 ( -0.238 4.527 4.547) 6.421 2.741 ( -4.082 -7.019 8.392) 11.677 2.741 ( -4.082 7.019 8.392) 11.677 3.075 ( 1.256 -10.027 2.008) 10.303 3.075 ( 1.256 10.027 2.008) 10.303 3.302 ( 3.051 -9.801 5.815) 11.797 3.302 ( 3.051 9.801 5.815) 11.797 3.899 ( 2.922 -2.934 1.153) 4.298 3.899 ( 2.922 2.934 1.153) 4.298 4.164 ( -4.922 -8.092 3.942) 10.259 4.164 ( -4.922 8.092 3.942) 10.259 4.534 ( -5.484 -12.953 9.678) 17.074 4.534 ( -5.484 12.953 9.678) 17.074 4.903 ( -0.886 -3.377 -2.119) 4.084 4.903 ( -0.886 3.377 -2.119) 4.084 5.460 ( 1.264 -6.524 -5.352) 8.533 5.460 ( 1.264 6.524 -5.352) 8.533 5.827 ( 0.900 -12.500 -2.914) 12.867 5.827 ( 0.900 12.500 -2.914) 12.867 6.110 ( 0.119 -20.546 -2.206) 20.664 6.110 ( 0.119 20.546 -2.206) 20.664 6.485 ( 1.885 -11.291 -6.805) 13.317 6.485 ( 1.885 11.291 -6.805) 13.317 6.883 ( 0.717 -3.336 3.955) 5.223 6.883 ( 0.717 3.336 3.955) 5.223 7.075 ( -3.113 -2.727 12.318) 12.995 7.075 ( -3.113 2.727 12.318) 12.995 7.421 ( -0.331 -2.738 -0.256) 2.769 7.421 ( -0.331 2.738 -0.256) 2.769 7.841 ( -0.684 -8.828 -3.002) 9.350 7.841 ( -0.684 8.828 -3.002) 9.350 8.145 ( -0.426 -15.154 2.513) 15.366 8.145 ( -0.426 15.154 2.513) 15.366 8.609 ( 3.130 -6.446 -10.986) 13.117 8.609 ( 3.130 6.446 -10.986) 13.117 8.830 ( 2.058 -8.597 -6.673) 11.076 8.830 ( 2.058 8.597 -6.673) 11.076 9.233 ( -2.149 -16.922 7.168) 18.503 9.233 ( -2.149 16.922 7.168) 18.503 9.423 ( -4.665 -4.186 11.031) 12.687 9.423 ( -4.665 4.186 11.031) 12.687 10.901 ( -0.335 -13.729 -0.203) 13.735 10.901 ( -0.335 13.729 -0.203) 13.735 11.581 ( 0.008 -3.768 0.616) 3.818 11.581 ( 0.008 3.768 0.616) 3.818 11.962 ( 1.074 -0.543 -3.424) 3.629 11.962 ( 1.074 0.543 -3.424) 3.629 12.638 ( 0.917 -1.964 -2.644) 3.419 12.638 ( 0.917 1.964 -2.644) 3.419 12.688 ( 1.549 -0.687 -2.808) 3.279 12.688 ( 1.549 0.687 -2.808) 3.279 15.998 ( 0.104 -1.691 0.043) 1.695 15.998 ( 0.104 1.691 0.043) 1.695 18.061 ( -0.432 -5.945 -0.328) 5.969 18.061 ( -0.432 5.945 -0.328) 5.969 18.894 ( -0.810 -0.716 0.057) 1.083 18.894 ( -0.810 0.716 0.057) 1.083 19.069 ( -1.141 -8.646 2.092) 8.968 19.069 ( -1.141 8.646 2.092) 8.968 19.493 ( 0.881 -1.959 -1.967) 2.913 19.493 ( 0.881 1.959 -1.967) 2.913 19.854 ( 1.092 -1.318 -2.061) 2.679 19.854 ( 1.092 1.318 -2.061) 2.679 20.014 ( -0.207 -1.960 4.397) 4.819 20.014 ( -0.207 1.960 4.397) 4.819 20.632 ( 0.034 -2.853 1.668) 3.305 20.632 ( 0.034 2.853 1.668) 3.305 21.169 ( 0.342 -7.613 0.262) 7.625 21.169 ( 0.342 7.613 0.262) 7.625 22.171 ( 1.278 -2.823 -1.544) 3.462 22.171 ( 1.278 2.823 -1.544) 3.462 22.560 ( 0.101 -5.891 1.370) 6.049 22.560 ( 0.101 5.891 1.370) 6.049 23.392 ( 4.037 -2.348 -9.994) 11.031 23.392 ( 4.037 2.348 -9.994) 11.031 ======================= Grid point 71 (37/111) ======================= q-point: (-0.38 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -10.754 -1.831 2.284) 11.145 1.537 ( -10.754 1.831 2.284) 11.145 1.626 ( -8.986 -6.347 9.114) 14.286 1.626 ( -8.986 6.347 9.114) 14.286 1.943 ( 0.004 -12.670 3.452) 13.132 1.943 ( 0.004 12.670 3.452) 13.132 2.342 ( -0.209 -1.992 0.075) 2.005 2.342 ( -0.209 1.992 0.075) 2.005 2.609 ( 1.779 -6.448 2.623) 7.185 2.609 ( 1.779 6.448 2.623) 7.185 2.748 ( -2.828 -7.677 7.359) 11.004 2.748 ( -2.828 7.677 7.359) 11.004 3.116 ( -0.199 -10.290 8.298) 13.221 3.116 ( -0.199 10.290 8.298) 13.221 3.428 ( 4.954 -13.344 4.821) 15.028 3.428 ( 4.954 13.344 4.821) 15.028 3.898 ( -4.717 -9.259 4.061) 11.156 3.898 ( -4.717 9.259 4.061) 11.156 4.058 ( -5.846 -7.446 0.712) 9.493 4.058 ( -5.846 7.446 0.712) 9.493 4.504 ( -3.658 -13.799 8.038) 16.383 4.504 ( -3.658 13.799 8.038) 16.383 4.885 ( 0.205 -2.513 -2.907) 3.848 4.885 ( 0.205 2.513 -2.907) 3.848 5.440 ( 0.785 -6.130 -5.857) 8.515 5.440 ( 0.785 6.130 -5.857) 8.515 5.829 ( 1.348 -12.450 -2.840) 12.841 5.829 ( 1.348 12.450 -2.840) 12.841 6.102 ( 0.775 -18.890 -2.200) 19.033 6.102 ( 0.775 18.890 -2.200) 19.033 6.480 ( 2.276 -11.381 -6.151) 13.135 6.480 ( 2.276 11.381 -6.151) 13.135 6.908 ( -1.765 -2.820 5.530) 6.453 6.908 ( -1.765 2.820 5.530) 6.453 7.088 ( -4.005 -3.562 10.639) 11.913 7.088 ( -4.005 3.562 10.639) 11.913 7.396 ( -1.875 -1.787 -0.475) 2.633 7.396 ( -1.875 1.787 -0.475) 2.633 7.813 ( -0.006 -9.491 -2.693) 9.866 7.813 ( -0.006 9.491 -2.693) 9.866 8.154 ( -0.436 -14.804 2.098) 14.958 8.154 ( -0.436 14.804 2.098) 14.958 8.591 ( 3.191 -6.655 -11.104) 13.333 8.591 ( 3.191 6.655 -11.104) 13.333 8.822 ( 2.144 -8.304 -6.864) 10.985 8.822 ( 2.144 8.304 -6.864) 10.985 9.244 ( -1.941 -16.044 7.054) 17.633 9.244 ( -1.941 16.044 7.054) 17.633 9.398 ( -5.669 -3.946 10.626) 12.674 9.398 ( -5.669 3.946 10.626) 12.674 10.896 ( 0.185 -14.087 -0.496) 14.097 10.896 ( 0.185 14.087 -0.496) 14.097 11.595 ( 0.809 -3.656 0.883) 3.847 11.595 ( 0.809 3.656 0.883) 3.847 11.973 ( 2.493 -0.934 -3.401) 4.319 11.973 ( 2.493 0.934 -3.401) 4.319 12.643 ( 1.535 -1.796 -2.546) 3.473 12.643 ( 1.535 1.796 -2.546) 3.473 12.710 ( 2.674 -0.215 -2.817) 3.890 12.710 ( 2.674 0.215 -2.817) 3.890 15.996 ( -0.337 -1.554 0.130) 1.595 15.996 ( -0.337 1.554 0.130) 1.595 18.085 ( 3.349 -6.027 -1.200) 6.999 18.085 ( 3.349 6.027 -1.200) 6.999 18.873 ( -0.923 -0.453 -1.130) 1.528 18.873 ( -0.923 0.453 -1.130) 1.528 19.064 ( -0.834 -8.008 2.692) 8.490 19.064 ( -0.834 8.008 2.692) 8.490 19.490 ( 0.274 -1.946 -1.616) 2.545 19.490 ( 0.274 1.946 -1.616) 2.545 19.875 ( 2.449 -0.749 -1.853) 3.161 19.875 ( 2.449 0.749 -1.853) 3.161 20.056 ( 0.744 -1.507 5.740) 5.981 20.056 ( 0.744 1.507 5.740) 5.981 20.623 ( -2.382 -2.467 2.052) 3.996 20.623 ( -2.382 2.467 2.052) 3.996 21.182 ( 0.731 -7.769 0.350) 7.812 21.182 ( 0.731 7.769 0.350) 7.812 22.210 ( 3.585 -2.842 -1.429) 4.793 22.210 ( 3.585 2.842 -1.429) 4.793 22.590 ( 1.760 -5.491 1.876) 6.064 22.590 ( 1.760 5.491 1.876) 6.064 23.384 ( 2.245 -4.078 -9.686) 10.747 23.384 ( 2.245 4.078 -9.686) 10.747 ======================= Grid point 73 (38/111) ======================= q-point: (-0.25 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -16.133 -6.674 4.191) 17.955 1.289 ( -16.133 6.674 4.191) 17.955 1.468 ( -11.829 -15.694 8.234) 21.308 1.468 ( -11.829 15.694 8.234) 21.308 2.003 ( 2.657 -12.233 3.854) 13.098 2.003 ( 2.657 12.233 3.854) 13.098 2.362 ( 0.687 -0.740 2.255) 2.471 2.362 ( 0.687 0.740 2.255) 2.471 2.523 ( -12.830 -16.526 4.906) 21.489 2.523 ( -12.830 16.526 4.906) 21.489 2.795 ( 2.959 -3.690 4.293) 6.388 2.795 ( 2.959 3.690 4.293) 6.388 3.165 ( -2.842 -6.833 11.060) 13.308 3.165 ( -2.842 6.833 11.060) 13.308 3.526 ( 1.883 -11.125 1.679) 11.408 3.526 ( 1.883 11.125 1.679) 11.408 3.839 ( -2.965 -13.745 4.565) 14.784 3.839 ( -2.965 13.745 4.565) 14.784 3.995 ( 0.060 -0.940 -1.508) 1.778 3.995 ( 0.060 0.940 -1.508) 1.778 4.506 ( -1.778 -15.579 7.611) 17.430 4.506 ( -1.778 15.579 7.611) 17.430 4.851 ( -1.957 -1.280 -1.886) 3.004 4.851 ( -1.957 1.280 -1.886) 3.004 5.408 ( 0.322 -4.495 -6.055) 7.548 5.408 ( 0.322 4.495 -6.055) 7.548 5.836 ( 1.300 -10.861 -2.465) 11.212 5.836 ( 1.300 10.861 -2.465) 11.212 6.111 ( 1.655 -19.157 -2.001) 19.332 6.111 ( 1.655 19.157 -2.001) 19.332 6.483 ( 2.314 -11.118 -5.877) 12.787 6.483 ( 2.314 11.118 -5.877) 12.787 6.895 ( -3.833 -2.873 6.939) 8.431 6.895 ( -3.833 2.873 6.939) 8.431 7.061 ( -5.866 -2.354 8.293) 10.427 7.061 ( -5.866 2.354 8.293) 10.427 7.347 ( -2.539 -1.299 -0.516) 2.899 7.347 ( -2.539 1.299 -0.516) 2.899 7.805 ( 0.863 -9.509 -1.855) 9.727 7.805 ( 0.863 9.509 -1.855) 9.727 8.156 ( -0.775 -14.538 1.725) 14.661 8.156 ( -0.775 14.538 1.725) 14.661 8.580 ( 3.734 -6.785 -10.715) 13.220 8.580 ( 3.734 6.785 -10.715) 13.220 8.818 ( 2.375 -7.920 -6.683) 10.631 8.818 ( 2.375 7.920 -6.683) 10.631 9.254 ( -2.105 -13.687 6.332) 15.227 9.254 ( -2.105 13.687 6.332) 15.227 9.362 ( -5.594 -3.426 10.785) 12.623 9.362 ( -5.594 3.426 10.785) 12.623 10.903 ( 0.901 -14.632 -0.481) 14.668 10.903 ( 0.901 14.632 -0.481) 14.668 11.620 ( 0.951 -3.391 1.067) 3.680 11.620 ( 0.951 3.391 1.067) 3.680 12.006 ( 3.097 -1.104 -3.146) 4.551 12.006 ( 3.097 1.104 -3.146) 4.551 12.659 ( 1.927 -1.803 -2.543) 3.665 12.659 ( 1.927 1.803 -2.543) 3.665 12.746 ( 3.075 -0.146 -3.289) 4.505 12.746 ( 3.075 0.146 -3.289) 4.505 15.989 ( -0.535 -1.399 0.160) 1.506 15.989 ( -0.535 1.399 0.160) 1.506 18.163 ( 5.658 -6.020 -2.737) 8.703 18.163 ( 5.658 6.020 -2.737) 8.703 18.846 ( -0.230 -1.098 -2.772) 2.991 18.846 ( -0.230 1.098 -2.772) 2.991 19.092 ( 1.715 -6.981 3.882) 8.170 19.092 ( 1.715 6.981 3.882) 8.170 19.486 ( 0.432 -1.807 -1.319) 2.278 19.486 ( 0.432 1.807 -1.319) 2.278 19.922 ( 3.332 -0.650 -0.849) 3.499 19.922 ( 3.332 0.650 -0.849) 3.499 20.121 ( 1.229 -1.259 6.911) 7.131 20.121 ( 1.229 1.259 6.911) 7.131 20.571 ( -4.195 -2.018 1.929) 5.039 20.571 ( -4.195 2.018 1.929) 5.039 21.200 ( 0.994 -7.502 -0.099) 7.568 21.200 ( 0.994 7.502 -0.099) 7.568 22.279 ( 4.557 -2.318 -1.977) 5.482 22.279 ( 4.557 2.318 -1.977) 5.482 22.655 ( 3.561 -4.403 1.874) 5.965 22.655 ( 3.561 4.403 1.874) 5.965 23.337 ( -0.282 -5.963 -9.654) 11.350 23.337 ( -0.282 5.963 -9.654) 11.350 ======================= Grid point 75 (39/111) ======================= q-point: (-0.12 -0.50 0.11) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -12.990 -14.091 7.939) 20.745 1.028 ( -12.990 14.091 7.939) 20.745 1.331 ( -8.466 -21.340 10.372) 25.192 1.331 ( -8.466 21.340 10.372) 25.192 2.046 ( -0.974 -4.271 -2.877) 5.240 2.046 ( -0.974 4.271 -2.877) 5.240 2.249 ( -11.858 -27.321 6.813) 30.553 2.249 ( -11.858 27.321 6.813) 30.553 2.444 ( -0.274 -1.766 7.533) 7.742 2.444 ( -0.274 1.766 7.533) 7.742 2.880 ( 2.911 -5.510 3.925) 7.365 2.880 ( 2.911 5.510 3.925) 7.365 3.140 ( -6.449 -3.431 8.242) 11.014 3.140 ( -6.449 3.431 8.242) 11.014 3.533 ( -1.119 -10.403 0.675) 10.484 3.533 ( -1.119 10.403 0.675) 10.484 3.797 ( -3.536 -5.008 -0.369) 6.142 3.797 ( -3.536 5.008 -0.369) 6.142 4.054 ( 4.939 -3.377 0.226) 5.988 4.054 ( 4.939 3.377 0.226) 5.988 4.554 ( 1.246 -16.826 8.058) 18.698 4.554 ( 1.246 16.826 8.058) 18.698 4.788 ( -4.060 -4.085 0.672) 5.799 4.788 ( -4.060 4.085 0.672) 5.799 5.373 ( 0.566 -3.078 -5.653) 6.462 5.373 ( 0.566 3.078 -5.653) 6.462 5.843 ( 1.011 -8.947 -1.779) 9.178 5.843 ( 1.011 8.947 -1.779) 9.178 6.134 ( 1.873 -21.048 -1.844) 21.212 6.134 ( 1.873 21.048 -1.844) 21.212 6.483 ( 2.012 -10.922 -5.993) 12.620 6.483 ( 2.012 10.922 -5.993) 12.620 6.866 ( -4.284 -3.185 7.073) 8.861 6.866 ( -4.284 3.185 7.073) 8.861 6.987 ( -6.916 -1.335 7.951) 10.622 6.987 ( -6.916 1.335 7.951) 10.622 7.304 ( -1.366 -1.991 0.068) 2.415 7.304 ( -1.366 1.991 0.068) 2.415 7.817 ( 1.408 -8.690 -1.263) 8.893 7.817 ( 1.408 8.690 -1.263) 8.893 8.150 ( -0.989 -14.510 1.585) 14.629 8.150 ( -0.989 14.510 1.585) 14.629 8.587 ( 4.464 -6.442 -9.853) 12.590 8.587 ( 4.464 6.442 -9.853) 12.590 8.821 ( 2.835 -7.288 -6.605) 10.236 8.821 ( 2.835 7.288 -6.605) 10.236 9.249 ( -2.653 -10.489 5.628) 12.196 9.249 ( -2.653 10.489 5.628) 12.196 9.340 ( -4.774 -5.410 11.465) 13.546 9.340 ( -4.774 5.410 11.465) 13.546 10.922 ( 1.217 -14.854 -0.479) 14.912 10.922 ( 1.217 14.854 -0.479) 14.912 11.642 ( 0.364 -3.122 1.041) 3.311 11.642 ( 0.364 3.122 1.041) 3.311 12.041 ( 2.535 -0.894 -2.979) 4.012 12.041 ( 2.535 0.894 -2.979) 4.012 12.677 ( 1.663 -1.772 -2.748) 3.668 12.677 ( 1.663 1.772 -2.748) 3.668 12.777 ( 2.566 -0.453 -3.880) 4.674 12.777 ( 2.566 0.453 -3.880) 4.674 15.980 ( -0.410 -1.313 0.120) 1.381 15.980 ( -0.410 1.313 0.120) 1.381 18.244 ( 4.584 -6.128 -3.681) 8.492 18.244 ( 4.584 6.128 -3.681) 8.492 18.833 ( 1.442 -1.507 -3.960) 4.476 18.833 ( 1.442 1.507 -3.960) 4.476 19.189 ( 5.391 -4.387 2.271) 7.312 19.189 ( 5.391 4.387 2.271) 7.312 19.488 ( 0.540 -1.687 -1.225) 2.154 19.488 ( 0.540 1.687 -1.225) 2.154 19.982 ( 2.309 -0.323 1.125) 2.588 19.982 ( 2.309 0.323 1.125) 2.588 20.188 ( 0.159 -2.545 5.635) 6.185 20.188 ( 0.159 2.545 5.635) 6.185 20.500 ( -3.818 -1.456 1.418) 4.325 20.500 ( -3.818 1.456 1.418) 4.325 21.215 ( 0.821 -6.582 -0.908) 6.695 21.215 ( 0.821 6.582 -0.908) 6.695 22.347 ( 3.817 -0.785 -2.936) 4.879 22.347 ( 3.817 0.785 -2.936) 4.879 22.748 ( 4.884 -2.746 0.166) 5.606 22.748 ( 4.884 2.746 0.166) 5.606 23.230 ( -3.493 -5.628 -9.491) 11.574 23.230 ( -3.493 5.628 -9.491) 11.574 ======================= Grid point 85 (40/111) ======================= q-point: ( 0.00 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 6.586 0.000 21.527) 22.512 1.136 ( -7.561 0.000 25.176) 26.287 1.503 ( -8.223 0.000 -7.907) 11.407 1.541 ( -2.589 0.000 23.709) 23.850 1.917 ( 4.368 0.000 4.803) 6.492 2.011 ( -7.272 0.000 13.115) 14.996 2.099 ( -2.177 0.000 11.415) 11.621 2.436 ( 1.873 0.000 -2.240) 2.920 2.619 ( -5.254 0.000 1.348) 5.424 2.629 ( -0.848 0.000 5.577) 5.641 2.864 ( -6.410 0.000 2.408) 6.848 3.030 ( -4.905 0.000 2.418) 5.468 3.218 ( -7.651 0.000 -1.386) 7.776 3.332 ( 4.460 0.000 -6.297) 7.717 3.481 ( -0.474 0.000 -10.607) 10.618 3.572 ( 6.063 0.000 0.766) 6.111 3.785 ( -5.273 0.000 -5.281) 7.463 3.981 ( -0.335 0.000 -1.372) 1.412 4.065 ( -0.120 0.000 2.448) 2.451 4.335 ( -11.764 0.000 23.232) 26.041 4.415 ( 1.267 0.000 8.871) 8.961 4.652 ( 5.440 0.000 10.848) 12.135 4.871 ( 1.356 0.000 0.273) 1.383 5.079 ( -1.743 0.000 6.827) 7.046 5.261 ( -3.075 0.000 10.134) 10.590 5.391 ( 2.809 0.000 -9.967) 10.355 5.438 ( -0.579 0.000 0.477) 0.750 5.580 ( 1.150 0.000 -3.709) 3.883 5.998 ( 1.500 0.000 3.097) 3.441 6.213 ( 0.218 0.000 -0.256) 0.336 6.543 ( 5.833 0.000 -12.244) 13.562 6.716 ( -1.408 0.000 -4.469) 4.686 6.806 ( 3.632 0.000 -7.154) 8.023 7.008 ( -1.118 0.000 -0.208) 1.137 7.170 ( -2.419 0.000 6.647) 7.073 7.181 ( 4.010 0.000 -9.358) 10.181 7.370 ( -8.828 0.000 23.289) 24.906 7.469 ( -2.933 0.000 9.884) 10.310 7.492 ( -0.309 0.000 3.974) 3.985 7.980 ( 0.421 0.000 0.643) 0.769 8.134 ( 1.982 0.000 -5.515) 5.860 8.140 ( -1.706 0.000 9.907) 10.052 8.334 ( 1.271 0.000 -4.966) 5.126 8.574 ( 0.328 0.000 2.374) 2.397 8.629 ( -0.323 0.000 2.432) 2.454 8.764 ( 4.403 0.000 -8.658) 9.713 9.202 ( -2.776 0.000 5.979) 6.592 9.269 ( -0.531 0.000 4.756) 4.785 9.637 ( -2.554 0.000 8.427) 8.806 10.086 ( -4.237 0.000 9.966) 10.829 10.426 ( 0.826 0.000 1.650) 1.845 11.185 ( 0.829 0.000 -2.354) 2.496 11.611 ( -1.359 0.000 1.876) 2.317 11.737 ( -1.048 0.000 1.035) 1.472 11.934 ( 2.770 0.000 -5.517) 6.173 11.996 ( 1.730 0.000 -4.113) 4.462 12.568 ( 1.014 0.000 -4.591) 4.702 12.618 ( 2.469 0.000 -8.190) 8.554 12.644 ( 2.899 0.000 -8.021) 8.529 12.678 ( 1.339 0.000 -4.514) 4.708 15.946 ( -0.500 0.000 0.167) 0.527 16.002 ( 0.117 0.000 -0.385) 0.402 17.964 ( 0.281 0.000 2.955) 2.968 18.545 ( 3.888 0.000 -5.825) 7.004 18.609 ( 0.904 0.000 -0.703) 1.145 18.811 ( 2.471 0.000 -3.156) 4.008 19.249 ( -2.504 0.000 -0.321) 2.525 19.312 ( 0.292 0.000 -1.597) 1.624 19.356 ( 2.441 0.000 1.632) 2.936 19.491 ( -0.103 0.000 -1.056) 1.061 19.999 ( 0.602 0.000 1.745) 1.846 20.096 ( -0.721 0.000 3.860) 3.927 20.210 ( -2.081 0.000 2.758) 3.455 20.216 ( -12.341 0.000 -0.508) 12.351 20.440 ( -2.382 0.000 2.008) 3.115 20.535 ( -2.177 0.000 3.331) 3.979 21.051 ( 0.433 0.000 -1.272) 1.344 21.290 ( 0.025 0.000 -3.019) 3.019 22.184 ( 2.422 0.000 -12.728) 12.956 22.367 ( 6.348 0.000 -12.633) 14.138 22.610 ( 0.847 0.000 -0.204) 0.871 22.776 ( -2.534 0.000 1.263) 2.831 22.886 ( 3.078 0.000 -10.899) 11.326 23.010 ( 0.167 0.000 -7.990) 7.991 ======================= Grid point 86 (41/111) ======================= q-point: ( 0.12 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 2.524 0.000 10.152) 10.461 1.282 ( 10.590 0.000 17.643) 20.577 1.364 ( -2.502 0.000 8.844) 9.191 1.733 ( 8.478 0.000 16.647) 18.682 1.999 ( 0.271 0.000 2.689) 2.703 2.000 ( -3.041 0.000 6.875) 7.518 2.163 ( 1.365 0.000 12.691) 12.765 2.432 ( -0.929 0.000 -2.163) 2.354 2.554 ( -1.953 0.000 1.824) 2.672 2.630 ( -2.183 0.000 4.438) 4.946 2.816 ( 0.865 0.000 1.176) 1.460 2.924 ( -7.829 0.000 2.286) 8.156 3.060 ( -7.431 0.000 0.735) 7.467 3.302 ( -8.754 0.000 -6.744) 11.051 3.432 ( 5.268 0.000 -0.515) 5.293 3.676 ( 4.094 0.000 -0.322) 4.106 3.681 ( -1.209 0.000 -3.605) 3.802 3.978 ( -1.110 0.000 2.279) 2.535 4.038 ( -1.560 0.000 -2.006) 2.541 4.326 ( -8.038 0.000 26.709) 27.892 4.495 ( 1.545 0.000 4.460) 4.720 4.834 ( 5.158 0.000 10.323) 11.540 4.890 ( 1.502 0.000 -3.858) 4.140 5.094 ( -1.999 0.000 6.829) 7.115 5.282 ( -2.066 0.000 9.185) 9.415 5.384 ( 2.264 0.000 -6.494) 6.877 5.462 ( 3.909 0.000 -2.562) 4.674 5.573 ( 0.666 0.000 -4.342) 4.393 6.011 ( -2.010 0.000 2.477) 3.190 6.222 ( 1.164 0.000 -1.186) 1.662 6.561 ( 5.010 0.000 -13.171) 14.091 6.674 ( 0.602 0.000 -4.678) 4.716 6.811 ( 1.962 0.000 -6.308) 6.606 6.989 ( -0.300 0.000 -0.926) 0.974 7.184 ( -1.481 0.000 7.774) 7.914 7.207 ( 5.129 0.000 -9.339) 10.655 7.377 ( -6.209 0.000 20.139) 21.074 7.489 ( -3.227 0.000 12.308) 12.724 7.516 ( 0.018 0.000 3.374) 3.374 8.004 ( 0.864 0.000 1.481) 1.714 8.133 ( 2.035 0.000 -5.800) 6.147 8.166 ( -2.526 0.000 8.254) 8.632 8.325 ( 1.416 0.000 -4.897) 5.098 8.587 ( -2.061 0.000 5.661) 6.024 8.626 ( -0.469 0.000 -0.415) 0.626 8.787 ( 4.247 0.000 -8.792) 9.764 9.181 ( -3.542 0.000 5.832) 6.824 9.304 ( 0.561 0.000 4.565) 4.599 9.660 ( -1.443 0.000 8.477) 8.599 10.074 ( -4.092 0.000 10.002) 10.807 10.452 ( 0.433 0.000 2.068) 2.113 11.179 ( 0.163 0.000 -1.997) 2.003 11.586 ( -2.302 0.000 1.450) 2.721 11.717 ( -1.480 0.000 0.673) 1.626 11.933 ( 1.106 0.000 -5.489) 5.599 11.985 ( 0.183 0.000 -4.084) 4.088 12.551 ( 0.672 0.000 -4.473) 4.523 12.602 ( 1.880 0.000 -8.091) 8.307 12.636 ( 2.013 0.000 -7.440) 7.707 12.666 ( 0.794 0.000 -4.528) 4.597 15.941 ( -0.072 0.000 0.137) 0.155 16.006 ( 0.544 0.000 -0.353) 0.648 17.983 ( -0.745 0.000 3.115) 3.203 18.505 ( -3.119 0.000 -6.305) 7.035 18.647 ( 3.413 0.000 -0.919) 3.535 18.845 ( 3.055 0.000 -2.986) 4.272 19.185 ( -5.358 0.000 5.359) 7.578 19.314 ( 1.074 0.000 -1.580) 1.911 19.377 ( -0.395 0.000 0.269) 0.478 19.478 ( -0.154 0.000 -1.689) 1.696 19.990 ( -9.414 0.000 1.663) 9.560 20.004 ( -1.281 0.000 1.746) 2.166 20.072 ( -4.042 0.000 4.178) 5.814 20.169 ( -4.029 0.000 3.167) 5.125 20.438 ( 0.820 0.000 1.457) 1.672 20.566 ( 2.548 0.000 2.966) 3.910 21.038 ( -0.994 0.000 -0.635) 1.180 21.283 ( 1.141 0.000 -2.275) 2.545 22.118 ( -0.100 0.000 -10.326) 10.326 22.338 ( -0.316 0.000 -9.888) 9.893 22.598 ( -2.187 0.000 -0.058) 2.188 22.744 ( -1.657 0.000 2.256) 2.799 22.912 ( 8.321 0.000 -14.767) 16.950 23.029 ( 6.780 0.000 -9.657) 11.799 ======================= Grid point 87 (42/111) ======================= q-point: ( 0.25 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 6.355 0.000 3.463) 7.237 1.481 ( -0.461 0.000 14.315) 14.323 1.579 ( 9.215 0.000 17.178) 19.494 1.957 ( -5.239 0.000 1.544) 5.462 1.969 ( -2.539 0.000 4.671) 5.316 2.002 ( 8.564 0.000 -3.122) 9.116 2.350 ( 7.546 0.000 12.858) 14.909 2.392 ( -1.602 0.000 -0.207) 1.615 2.538 ( -2.400 0.000 -0.207) 2.409 2.674 ( 4.722 0.000 3.635) 5.959 2.779 ( -8.055 0.000 5.505) 9.756 2.859 ( 0.512 0.000 -1.991) 2.056 2.944 ( -7.735 0.000 5.128) 9.281 3.128 ( -3.774 0.000 5.400) 6.588 3.472 ( -3.180 0.000 4.464) 5.481 3.723 ( 1.171 0.000 -0.743) 1.387 3.739 ( 7.770 0.000 1.262) 7.872 3.912 ( -5.626 0.000 3.150) 6.448 4.055 ( 3.858 0.000 -3.404) 5.145 4.375 ( -6.114 0.000 25.053) 25.788 4.519 ( -2.275 0.000 2.686) 3.520 4.876 ( 0.103 0.000 -3.438) 3.440 4.978 ( 3.182 0.000 4.962) 5.894 5.094 ( -2.491 0.000 6.267) 6.744 5.304 ( -1.574 0.000 7.205) 7.375 5.382 ( 0.805 0.000 -2.227) 2.368 5.536 ( -1.355 0.000 -4.348) 4.555 5.544 ( 6.389 0.000 -4.243) 7.669 5.976 ( -2.324 0.000 1.080) 2.563 6.237 ( 1.621 0.000 -2.893) 3.316 6.552 ( 4.039 0.000 -13.528) 14.118 6.680 ( 3.249 0.000 -4.078) 5.214 6.791 ( 0.487 0.000 -6.297) 6.316 6.988 ( 1.211 0.000 -1.552) 1.969 7.217 ( -0.924 0.000 7.421) 7.478 7.235 ( 4.355 0.000 -9.467) 10.421 7.414 ( -3.755 0.000 17.312) 17.715 7.513 ( -4.816 0.000 16.153) 16.856 7.535 ( -0.307 0.000 2.637) 2.655 8.024 ( -0.472 0.000 2.595) 2.638 8.134 ( 2.617 0.000 -6.587) 7.088 8.156 ( -4.214 0.000 7.715) 8.790 8.320 ( 1.677 0.000 -4.832) 5.115 8.571 ( -4.720 0.000 8.976) 10.141 8.615 ( 1.398 0.000 -5.089) 5.277 8.801 ( 3.664 0.000 -9.095) 9.806 9.152 ( -3.647 0.000 5.897) 6.934 9.347 ( 0.577 0.000 3.944) 3.986 9.695 ( -1.152 0.000 8.262) 8.342 10.069 ( -3.693 0.000 9.702) 10.381 10.466 ( -0.707 0.000 2.361) 2.464 11.167 ( -0.097 0.000 -1.528) 1.531 11.549 ( -2.249 0.000 1.106) 2.506 11.693 ( -1.259 0.000 0.434) 1.332 11.904 ( 0.273 0.000 -5.997) 6.004 11.947 ( -0.785 0.000 -4.636) 4.702 12.535 ( 0.868 0.000 -4.188) 4.277 12.581 ( 1.666 0.000 -7.313) 7.501 12.620 ( 1.542 0.000 -6.486) 6.666 12.648 ( 0.661 0.000 -4.353) 4.402 15.945 ( 0.372 0.000 0.208) 0.426 16.017 ( 0.776 0.000 -0.280) 0.825 17.977 ( -1.993 0.000 2.897) 3.516 18.367 ( -6.436 0.000 -3.968) 7.560 18.716 ( 4.148 0.000 -1.588) 4.442 18.878 ( 2.075 0.000 -2.335) 3.123 19.133 ( -4.984 0.000 8.529) 9.879 19.330 ( 1.409 0.000 -1.013) 1.735 19.362 ( -0.964 0.000 -0.153) 0.976 19.467 ( 0.620 0.000 -2.178) 2.264 19.874 ( -3.308 0.000 -0.767) 3.396 19.975 ( -2.540 0.000 0.477) 2.584 20.026 ( -3.498 0.000 4.661) 5.827 20.114 ( -3.532 0.000 3.093) 4.695 20.485 ( 2.663 0.000 1.795) 3.212 20.654 ( 3.857 0.000 2.973) 4.870 21.009 ( -1.826 0.000 0.647) 1.937 21.297 ( 1.361 0.000 -0.888) 1.625 22.054 ( 0.464 0.000 -8.193) 8.206 22.252 ( -1.504 0.000 -7.429) 7.580 22.541 ( -3.557 0.000 1.341) 3.801 22.740 ( -0.753 0.000 2.506) 2.616 22.970 ( 8.936 0.000 -17.100) 19.294 23.102 ( 7.972 0.000 -11.238) 13.779 ======================= Grid point 88 (43/111) ======================= q-point: ( 0.38 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -2.988 0.000 4.638) 5.517 1.565 ( 11.091 0.000 7.954) 13.649 1.848 ( 2.047 0.000 5.737) 6.091 1.919 ( 6.694 0.000 10.067) 12.090 1.937 ( -3.098 0.000 3.529) 4.696 2.079 ( 2.163 0.000 -2.294) 3.153 2.373 ( -1.660 0.000 -2.210) 2.764 2.420 ( -8.027 0.000 5.914) 9.971 2.533 ( 4.617 0.000 2.937) 5.472 2.724 ( -5.797 0.000 8.455) 10.251 2.753 ( -4.676 0.000 6.708) 8.177 2.816 ( -7.501 0.000 6.538) 9.950 2.881 ( 8.364 0.000 1.247) 8.456 3.183 ( -1.457 0.000 3.845) 4.112 3.501 ( 3.900 0.000 10.992) 11.664 3.713 ( -1.765 0.000 -0.142) 1.771 3.856 ( -1.123 0.000 -0.372) 1.183 3.920 ( 6.538 0.000 6.887) 9.496 4.098 ( 1.948 0.000 -1.457) 2.432 4.421 ( -7.143 0.000 0.486) 7.160 4.444 ( -5.247 0.000 21.226) 21.864 4.863 ( -0.454 0.000 1.421) 1.491 4.995 ( -2.840 0.000 -0.330) 2.859 5.095 ( -1.502 0.000 3.850) 4.132 5.326 ( -1.187 0.000 6.944) 7.045 5.390 ( 0.610 0.000 0.644) 0.887 5.466 ( -1.866 0.000 -5.443) 5.754 5.628 ( 4.937 0.000 -4.208) 6.486 5.947 ( -1.014 0.000 -0.277) 1.051 6.238 ( 1.004 0.000 -3.965) 4.090 6.536 ( 4.513 0.000 -13.842) 14.559 6.736 ( 4.743 0.000 -2.891) 5.555 6.740 ( -0.993 0.000 -6.506) 6.581 7.015 ( 2.677 0.000 -1.817) 3.235 7.241 ( 3.323 0.000 -9.520) 10.083 7.244 ( -1.206 0.000 5.783) 5.908 7.461 ( -3.556 0.000 14.410) 14.842 7.528 ( -6.823 0.000 20.357) 21.470 7.540 ( -0.909 0.000 2.171) 2.354 8.022 ( -2.113 0.000 4.192) 4.694 8.121 ( -4.481 0.000 7.172) 8.457 8.143 ( 3.368 0.000 -7.364) 8.097 8.322 ( 2.134 0.000 -4.922) 5.365 8.545 ( -3.822 0.000 7.649) 8.551 8.606 ( 1.539 0.000 -5.558) 5.767 8.798 ( 2.829 0.000 -9.421) 9.837 9.130 ( -2.792 0.000 6.143) 6.747 9.375 ( -0.540 0.000 3.283) 3.327 9.724 ( -1.921 0.000 7.892) 8.123 10.066 ( -3.637 0.000 9.444) 10.120 10.458 ( -1.823 0.000 2.408) 3.021 11.154 ( -0.210 0.000 -1.271) 1.289 11.521 ( -1.254 0.000 1.079) 1.654 11.678 ( -0.508 0.000 0.455) 0.682 11.865 ( 0.544 0.000 -6.866) 6.888 11.899 ( -0.153 0.000 -5.254) 5.256 12.527 ( 1.335 0.000 -3.967) 4.186 12.568 ( 2.066 0.000 -6.417) 6.742 12.608 ( 1.622 0.000 -5.660) 5.888 12.634 ( 1.079 0.000 -4.049) 4.190 15.956 ( 0.507 0.000 0.308) 0.593 16.029 ( 0.612 0.000 -0.241) 0.658 17.951 ( -2.405 0.000 2.495) 3.465 18.231 ( -4.794 0.000 -1.891) 5.154 18.772 ( 2.793 0.000 -2.319) 3.631 18.886 ( 0.158 0.000 -1.611) 1.619 19.107 ( -4.058 0.000 8.699) 9.599 19.340 ( -1.115 0.000 -0.277) 1.149 19.349 ( 0.828 0.000 -0.158) 0.843 19.473 ( 1.601 0.000 -2.384) 2.872 19.838 ( 0.557 0.000 -2.614) 2.673 19.920 ( -2.564 0.000 -1.089) 2.785 20.013 ( -1.278 0.000 5.270) 5.422 20.084 ( -1.611 0.000 2.522) 2.993 20.556 ( 2.777 0.000 2.626) 3.822 20.742 ( 2.528 0.000 3.354) 4.200 20.982 ( -1.633 0.000 1.776) 2.413 21.317 ( 0.821 0.000 0.354) 0.894 22.023 ( 2.026 0.000 -7.267) 7.544 22.191 ( 0.362 0.000 -6.048) 6.059 22.493 ( -2.603 0.000 2.555) 3.647 22.744 ( -0.681 0.000 2.454) 2.547 23.011 ( 7.682 0.000 -17.088) 18.735 23.172 ( 7.539 0.000 -11.857) 14.051 ======================= Grid point 89 (44/111) ======================= q-point: (-0.50 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -3.158 0.000 1.339) 3.430 1.686 ( -2.400 0.000 6.385) 6.821 1.890 ( -5.446 0.000 5.592) 7.806 2.020 ( 6.524 0.000 9.512) 11.535 2.064 ( -1.738 0.000 -1.907) 2.580 2.094 ( -1.212 0.000 1.323) 1.794 2.254 ( -0.597 0.000 2.522) 2.592 2.482 ( 4.396 0.000 10.956) 11.805 2.584 ( 0.440 0.000 -1.339) 1.410 2.601 ( -8.334 0.000 11.388) 14.112 2.753 ( -0.539 0.000 8.215) 8.233 2.833 ( 2.009 0.000 6.180) 6.498 3.018 ( -2.376 0.000 6.887) 7.285 3.122 ( -1.416 0.000 2.258) 2.665 3.662 ( -2.440 0.000 -2.037) 3.179 3.701 ( 6.385 0.000 8.975) 11.014 3.842 ( -0.722 0.000 0.022) 0.722 4.030 ( -4.514 0.000 10.562) 11.486 4.106 ( 0.012 0.000 -1.434) 1.434 4.248 ( -7.135 0.000 3.521) 7.956 4.534 ( 0.001 0.000 14.518) 14.518 4.869 ( -1.795 0.000 5.211) 5.512 4.881 ( -6.708 0.000 -4.731) 8.208 5.085 ( -2.287 0.000 4.599) 5.136 5.342 ( -4.348 0.000 8.956) 9.955 5.407 ( 0.016 0.000 1.657) 1.657 5.424 ( 4.794 0.000 -9.368) 10.524 5.664 ( 1.965 0.000 -4.945) 5.321 5.924 ( -0.966 0.000 -1.503) 1.787 6.225 ( 0.704 0.000 -3.875) 3.939 6.536 ( 5.663 0.000 -14.052) 15.151 6.673 ( -0.643 0.000 -6.670) 6.701 6.806 ( 3.966 0.000 -2.336) 4.603 7.055 ( 2.094 0.000 -1.180) 2.404 7.237 ( 3.522 0.000 -9.867) 10.477 7.250 ( -1.861 0.000 4.151) 4.549 7.468 ( -5.933 0.000 14.108) 15.305 7.533 ( -1.508 0.000 2.282) 2.735 7.534 ( -7.776 0.000 20.607) 22.025 8.007 ( -3.335 0.000 7.016) 7.769 8.095 ( -2.666 0.000 5.736) 6.325 8.153 ( 2.867 0.000 -7.576) 8.101 8.334 ( 2.745 0.000 -5.380) 6.040 8.531 ( -2.605 0.000 5.949) 6.494 8.598 ( 1.305 0.000 -4.530) 4.715 8.779 ( 2.159 0.000 -9.492) 9.734 9.133 ( -1.480 0.000 6.306) 6.477 9.370 ( -2.271 0.000 3.039) 3.794 9.729 ( -3.349 0.000 7.670) 8.370 10.062 ( -3.617 0.000 9.416) 10.087 10.434 ( -2.141 0.000 2.073) 2.980 11.142 ( 0.090 0.000 -1.350) 1.353 11.519 ( 0.144 0.000 1.406) 1.414 11.682 ( 0.381 0.000 0.737) 0.829 11.833 ( 1.653 0.000 -7.430) 7.612 11.879 ( 2.112 0.000 -5.644) 6.026 12.530 ( 1.863 0.000 -3.824) 4.253 12.571 ( 2.827 0.000 -6.135) 6.755 12.604 ( 2.013 0.000 -5.311) 5.680 12.634 ( 1.764 0.000 -3.840) 4.226 15.967 ( 0.247 0.000 0.403) 0.473 16.035 ( 0.093 0.000 -0.270) 0.286 17.925 ( -1.842 0.000 2.087) 2.783 18.167 ( -0.807 0.000 -0.632) 1.025 18.785 ( 0.313 0.000 -2.670) 2.688 18.865 ( -1.138 0.000 -1.314) 1.738 19.099 ( -2.907 0.000 8.283) 8.779 19.315 ( -1.193 0.000 -0.353) 1.244 19.358 ( 0.050 0.000 0.255) 0.259 19.488 ( 1.379 0.000 -1.991) 2.422 19.848 ( 2.499 0.000 -3.543) 4.336 19.874 ( -0.697 0.000 -2.174) 2.283 20.055 ( 1.464 0.000 5.960) 6.137 20.086 ( 0.134 0.000 2.016) 2.020 20.617 ( 0.845 0.000 3.458) 3.560 20.789 ( -0.504 0.000 3.993) 4.025 20.973 ( -0.646 0.000 1.993) 2.096 21.334 ( 0.535 0.000 0.747) 0.919 22.030 ( 3.921 0.000 -7.140) 8.146 22.183 ( 2.946 0.000 -5.728) 6.441 22.478 ( -0.915 0.000 2.906) 3.047 22.751 ( -0.351 0.000 2.430) 2.456 23.025 ( 5.840 0.000 -15.895) 16.934 23.225 ( 6.664 0.000 -12.151) 13.858 ======================= Grid point 90 (45/111) ======================= q-point: (-0.38 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -7.265 0.000 2.858) 7.807 1.669 ( -5.870 0.000 9.787) 11.413 1.795 ( -8.815 0.000 6.405) 10.897 1.850 ( -16.310 0.000 8.737) 18.502 2.020 ( -1.888 0.000 1.598) 2.473 2.111 ( -4.053 0.000 -4.148) 5.799 2.319 ( 3.709 0.000 -1.553) 4.021 2.537 ( -5.115 0.000 -0.068) 5.115 2.637 ( 3.059 0.000 14.088) 14.417 2.745 ( 8.799 0.000 11.913) 14.810 2.769 ( -7.672 0.000 7.931) 11.034 2.913 ( -4.131 0.000 3.817) 5.625 2.973 ( 8.344 0.000 7.015) 10.901 3.188 ( 0.749 0.000 7.456) 7.494 3.597 ( -2.119 0.000 -3.456) 4.053 3.819 ( -2.287 0.000 2.758) 3.583 3.827 ( -0.091 0.000 4.339) 4.340 3.912 ( -7.684 0.000 7.593) 10.802 4.087 ( -0.274 0.000 -2.494) 2.509 4.243 ( -3.249 0.000 14.290) 14.655 4.617 ( 0.652 0.000 3.787) 3.843 4.693 ( -8.172 0.000 -5.407) 9.799 4.861 ( -3.646 0.000 8.184) 8.959 5.077 ( -2.439 0.000 6.044) 6.517 5.300 ( -4.071 0.000 5.120) 6.541 5.412 ( -0.457 0.000 1.383) 1.456 5.506 ( 8.133 0.000 -7.130) 10.816 5.636 ( -0.732 0.000 -5.922) 5.967 5.886 ( -1.380 0.000 -1.896) 2.345 6.215 ( 0.923 0.000 -3.128) 3.261 6.540 ( 3.992 0.000 -12.876) 13.481 6.649 ( 4.152 0.000 -7.939) 8.959 6.846 ( 1.796 0.000 -2.705) 3.247 7.070 ( 0.066 0.000 -0.361) 0.367 7.234 ( -2.354 0.000 3.272) 4.031 7.237 ( 3.454 0.000 -10.094) 10.669 7.442 ( -7.559 0.000 16.257) 17.928 7.513 ( -8.245 0.000 17.819) 19.634 7.513 ( -2.346 0.000 2.904) 3.733 7.996 ( -3.588 0.000 9.113) 9.793 8.098 ( -1.091 0.000 4.697) 4.822 8.147 ( 2.101 0.000 -7.144) 7.447 8.348 ( 2.683 0.000 -5.817) 6.406 8.526 ( -1.629 0.000 4.198) 4.503 8.594 ( 0.778 0.000 -2.364) 2.489 8.753 ( 2.165 0.000 -9.220) 9.471 9.158 ( -0.762 0.000 6.298) 6.344 9.334 ( -3.555 0.000 3.333) 4.874 9.705 ( -4.535 0.000 7.737) 8.968 10.061 ( -3.379 0.000 9.720) 10.291 10.410 ( -1.565 0.000 1.485) 2.157 11.142 ( 0.996 0.000 -1.648) 1.926 11.544 ( 1.100 0.000 1.878) 2.177 11.701 ( 0.858 0.000 1.114) 1.406 11.831 ( 3.535 0.000 -7.374) 8.178 11.898 ( 3.812 0.000 -5.656) 6.820 12.545 ( 2.339 0.000 -3.787) 4.451 12.589 ( 3.616 0.000 -6.686) 7.601 12.609 ( 2.422 0.000 -5.525) 6.033 12.647 ( 2.266 0.000 -3.880) 4.493 15.970 ( -0.197 0.000 0.463) 0.503 16.030 ( -0.385 0.000 -0.317) 0.499 17.912 ( -0.877 0.000 1.838) 2.037 18.190 ( 3.236 0.000 0.272) 3.247 18.749 ( -2.025 0.000 -2.443) 3.173 18.831 ( -1.103 0.000 -1.489) 1.854 19.115 ( -1.312 0.000 8.156) 8.261 19.292 ( -0.729 0.000 -0.536) 0.905 19.355 ( -0.485 0.000 0.033) 0.486 19.495 ( 0.527 0.000 -1.191) 1.302 19.869 ( 1.792 0.000 -2.242) 2.870 19.883 ( 3.529 0.000 -2.932) 4.588 20.116 ( 1.481 0.000 1.989) 2.479 20.148 ( 3.569 0.000 5.729) 6.749 20.626 ( -2.628 0.000 3.796) 4.617 20.776 ( -3.987 0.000 4.642) 6.120 20.985 ( 0.616 0.000 1.264) 1.407 21.347 ( 0.433 0.000 0.004) 0.433 22.074 ( 5.951 0.000 -7.770) 9.787 22.214 ( 4.458 0.000 -6.673) 8.025 22.497 ( 0.838 0.000 2.276) 2.425 22.767 ( 0.281 0.000 2.442) 2.458 23.012 ( 3.746 0.000 -14.104) 14.593 23.256 ( 5.448 0.000 -12.653) 13.776 ======================= Grid point 91 (46/111) ======================= q-point: (-0.25 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -15.862 0.000 7.545) 17.565 1.478 ( -20.659 0.000 15.890) 26.063 1.632 ( -10.982 0.000 3.557) 11.544 1.744 ( -2.618 0.000 9.673) 10.021 1.950 ( -6.617 0.000 -9.005) 11.174 2.025 ( -1.951 0.000 9.299) 9.502 2.355 ( -17.285 0.000 12.966) 21.607 2.366 ( 3.137 0.000 -2.971) 4.320 2.648 ( -4.787 0.000 2.370) 5.341 2.731 ( -1.839 0.000 8.807) 8.997 2.937 ( 1.454 0.000 2.314) 2.733 2.970 ( 6.802 0.000 5.291) 8.618 3.210 ( 8.581 0.000 6.924) 11.027 3.235 ( -0.777 0.000 7.131) 7.174 3.525 ( -3.597 0.000 -1.844) 4.042 3.743 ( -6.004 0.000 -0.849) 6.063 3.836 ( 1.652 0.000 6.733) 6.933 3.913 ( -0.423 0.000 2.429) 2.465 4.069 ( 0.391 0.000 -2.849) 2.876 4.280 ( -4.914 0.000 18.849) 19.479 4.525 ( -5.163 0.000 -2.325) 5.662 4.583 ( -4.420 0.000 -1.868) 4.798 4.858 ( -3.049 0.000 8.617) 9.140 5.074 ( -2.522 0.000 6.476) 6.950 5.270 ( -3.336 0.000 6.785) 7.561 5.411 ( -0.232 0.000 0.287) 0.369 5.562 ( -2.115 0.000 -6.391) 6.732 5.594 ( 5.614 0.000 -8.414) 10.115 5.866 ( 0.917 0.000 -0.577) 1.084 6.215 ( 0.755 0.000 -1.951) 2.092 6.521 ( 3.464 0.000 -11.626) 12.131 6.704 ( 6.787 0.000 -8.869) 11.168 6.835 ( -0.560 0.000 -3.506) 3.551 7.057 ( -1.156 0.000 0.049) 1.157 7.208 ( -2.736 0.000 3.580) 4.505 7.221 ( 2.195 0.000 -9.863) 10.104 7.410 ( -8.861 0.000 19.995) 21.871 7.479 ( -6.716 0.000 14.433) 15.919 7.488 ( -2.479 0.000 3.745) 4.491 7.995 ( -2.771 0.000 7.530) 8.024 8.107 ( -1.930 0.000 5.595) 5.919 8.139 ( 2.062 0.000 -6.521) 6.839 8.352 ( 1.920 0.000 -5.668) 5.985 8.530 ( -0.549 0.000 3.024) 3.073 8.596 ( 0.564 0.000 -0.576) 0.806 8.738 ( 2.942 0.000 -8.867) 9.342 9.186 ( -0.998 0.000 6.249) 6.329 9.289 ( -3.485 0.000 3.921) 5.246 9.669 ( -4.734 0.000 7.973) 9.272 10.071 ( -2.925 0.000 10.272) 10.681 10.397 ( -0.595 0.000 1.095) 1.246 11.157 ( 1.812 0.000 -1.996) 2.696 11.581 ( 1.051 0.000 2.202) 2.439 11.726 ( 0.618 0.000 1.363) 1.497 11.862 ( 4.653 0.000 -6.832) 8.266 11.939 ( 4.154 0.000 -5.246) 6.692 12.564 ( 2.347 0.000 -4.037) 4.670 12.613 ( 4.005 0.000 -8.046) 8.988 12.619 ( 2.753 0.000 -5.831) 6.448 12.664 ( 2.358 0.000 -4.089) 4.720 15.966 ( -0.560 0.000 0.430) 0.705 16.018 ( -0.516 0.000 -0.349) 0.623 17.917 ( -0.046 0.000 1.942) 1.943 18.292 ( 6.653 0.000 0.937) 6.719 18.682 ( -2.920 0.000 -1.746) 3.403 18.806 ( -0.189 0.000 -2.034) 2.042 19.167 ( 0.839 0.000 8.059) 8.103 19.282 ( 0.190 0.000 -1.022) 1.039 19.341 ( -0.679 0.000 -0.531) 0.862 19.495 ( 0.238 0.000 -0.661) 0.702 19.906 ( 3.032 0.000 -1.156) 3.245 19.947 ( 4.640 0.000 -1.140) 4.778 20.166 ( 1.830 0.000 2.228) 2.884 20.265 ( 4.512 0.000 4.174) 6.146 20.574 ( -5.089 0.000 3.529) 6.193 20.707 ( -6.500 0.000 5.145) 8.290 21.012 ( 1.495 0.000 0.141) 1.502 21.345 ( -0.260 0.000 -1.440) 1.464 22.145 ( 7.346 0.000 -9.680) 12.152 22.249 ( 4.571 0.000 -8.316) 9.490 22.537 ( 1.935 0.000 1.043) 2.198 22.792 ( 0.442 0.000 2.114) 2.160 22.974 ( 1.941 0.000 -12.073) 12.228 23.246 ( 2.698 0.000 -13.889) 14.149 ======================= Grid point 92 (47/111) ======================= q-point: (-0.12 0.00 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -18.411 0.000 15.242) 23.901 1.222 ( -18.303 0.000 22.869) 29.292 1.497 ( -7.532 0.000 14.059) 15.949 1.735 ( -8.319 0.000 -9.834) 12.881 1.804 ( 2.404 0.000 6.439) 6.873 2.059 ( -2.382 0.000 11.985) 12.220 2.132 ( -15.898 0.000 17.532) 23.667 2.405 ( 2.965 0.000 -2.814) 4.088 2.613 ( -0.882 0.000 1.915) 2.109 2.706 ( -4.722 0.000 3.441) 5.842 2.952 ( -3.282 0.000 3.867) 5.072 3.065 ( 0.099 0.000 2.669) 2.671 3.283 ( 4.317 0.000 -2.851) 5.173 3.332 ( -1.582 0.000 1.663) 2.295 3.469 ( 1.611 0.000 0.320) 1.643 3.593 ( -5.846 0.000 -6.965) 9.093 3.892 ( -1.805 0.000 -3.229) 3.699 3.953 ( 2.552 0.000 8.458) 8.835 4.051 ( 0.555 0.000 -4.465) 4.500 4.330 ( -3.786 0.000 19.750) 20.110 4.454 ( -9.656 0.000 6.378) 11.572 4.504 ( 2.383 0.000 5.274) 5.788 4.855 ( -1.720 0.000 4.664) 4.971 5.072 ( -2.375 0.000 6.562) 6.978 5.260 ( -3.462 0.000 8.577) 9.249 5.407 ( 0.738 0.000 -3.281) 3.363 5.479 ( -1.924 0.000 -4.674) 5.055 5.596 ( 0.803 0.000 -5.921) 5.975 5.922 ( 3.802 0.000 1.614) 4.130 6.214 ( 0.163 0.000 -0.713) 0.732 6.520 ( 4.950 0.000 -11.550) 12.566 6.768 ( 5.739 0.000 -8.060) 9.895 6.781 ( -1.902 0.000 -4.102) 4.521 7.033 ( -1.365 0.000 0.211) 1.382 7.182 ( -2.937 0.000 5.031) 5.826 7.190 ( 2.130 0.000 -9.614) 9.847 7.384 ( -9.646 0.000 23.567) 25.465 7.463 ( -4.151 0.000 10.982) 11.740 7.478 ( -1.376 0.000 4.190) 4.410 7.986 ( -1.683 0.000 2.175) 2.751 8.110 ( -2.752 0.000 9.548) 9.937 8.135 ( 2.071 0.000 -5.888) 6.241 8.345 ( 1.355 0.000 -5.211) 5.384 8.548 ( 0.435 0.000 2.302) 2.342 8.610 ( 0.671 0.000 1.090) 1.280 8.743 ( 3.925 0.000 -8.680) 9.526 9.203 ( -1.816 0.000 6.153) 6.416 9.262 ( -2.176 0.000 4.481) 4.981 9.641 ( -3.889 0.000 8.226) 9.099 10.087 ( -3.119 0.000 10.188) 10.655 10.403 ( 0.338 0.000 1.216) 1.263 11.177 ( 1.687 0.000 -2.312) 2.862 11.609 ( 0.062 0.000 2.189) 2.190 11.740 ( -0.167 0.000 1.333) 1.343 11.905 ( 4.274 0.000 -6.071) 7.424 11.978 ( 3.257 0.000 -4.623) 5.655 12.574 ( 1.700 0.000 -4.422) 4.738 12.622 ( 2.950 0.000 -7.798) 8.338 12.636 ( 3.604 0.000 -7.715) 8.515 12.677 ( 1.991 0.000 -4.348) 4.782 15.956 ( -0.678 0.000 0.298) 0.741 16.007 ( -0.304 0.000 -0.373) 0.481 17.937 ( 0.423 0.000 2.431) 2.468 18.444 ( 8.257 0.000 -1.451) 8.384 18.624 ( -1.736 0.000 -1.027) 2.017 18.797 ( 1.120 0.000 -2.767) 2.985 19.262 ( 3.443 0.000 5.750) 6.702 19.278 ( 0.218 0.000 -1.631) 1.646 19.324 ( -0.389 0.000 -1.167) 1.231 19.496 ( 0.186 0.000 -0.630) 0.657 19.959 ( 2.455 0.000 0.501) 2.506 20.039 ( 4.124 0.000 1.287) 4.320 20.207 ( 0.455 0.000 2.395) 2.437 20.346 ( 0.577 0.000 -0.246) 0.627 20.496 ( -4.877 0.000 2.918) 5.684 20.606 ( -7.070 0.000 4.631) 8.452 21.039 ( 1.455 0.000 -0.902) 1.712 21.319 ( -0.700 0.000 -2.687) 2.777 22.195 ( 5.450 0.000 -12.433) 13.575 22.296 ( 7.484 0.000 -9.926) 12.432 22.581 ( 1.983 0.000 0.152) 1.989 22.803 ( -0.859 0.000 1.322) 1.576 22.924 ( 1.426 0.000 -10.678) 10.773 23.142 ( -3.470 0.000 -13.008) 13.463 ======================= Grid point 93 (48/111) ======================= q-point: ( 0.00 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 2.189 8.652 19.540) 21.482 1.144 ( -1.599 6.337 14.970) 16.334 1.431 ( -8.397 -6.680 -0.976) 10.774 1.745 ( -0.471 -2.635 11.462) 11.771 1.874 ( -1.081 12.474 8.732) 15.265 2.010 ( -2.477 -0.655 9.121) 9.474 2.064 ( -3.430 -1.017 12.701) 13.195 2.435 ( -0.409 0.553 -1.508) 1.658 2.545 ( -2.250 -5.579 2.256) 6.425 2.690 ( -3.760 1.119 8.344) 9.220 2.883 ( -3.431 3.512 1.880) 5.257 3.021 ( -4.067 -1.782 2.229) 4.968 3.153 ( -4.618 -2.040 -0.505) 5.073 3.354 ( 1.018 -2.055 -5.244) 5.724 3.450 ( -0.232 -0.476 0.810) 0.968 3.581 ( -0.886 2.211 -0.301) 2.401 3.746 ( -4.603 -4.048 -2.081) 6.474 3.877 ( -1.542 -14.536 -0.605) 14.630 4.100 ( -0.637 3.396 0.164) 3.459 4.251 ( -2.075 -5.078 11.124) 12.403 4.549 ( 0.920 12.413 10.994) 16.607 4.681 ( -0.563 5.630 8.868) 10.520 4.824 ( 1.380 -4.987 2.084) 5.578 5.054 ( -4.235 -1.243 13.844) 14.531 5.270 ( 2.263 -2.592 -3.689) 5.045 5.350 ( 2.508 -4.135 -4.342) 6.499 5.617 ( -0.855 15.879 2.695) 16.128 5.721 ( 0.687 15.547 -4.419) 16.177 5.965 ( 1.760 -3.901 0.969) 4.388 6.239 ( 0.782 3.625 -0.893) 3.814 6.476 ( 4.408 -6.735 -9.448) 12.411 6.529 ( 2.378 -21.270 -6.312) 22.314 6.743 ( -1.568 2.099 -4.117) 4.880 6.962 ( -0.886 -9.639 -3.375) 10.251 7.208 ( -4.049 3.699 11.187) 12.459 7.238 ( 0.334 3.640 1.819) 4.083 7.348 ( -2.962 -1.429 9.070) 9.648 7.406 ( -4.162 -1.464 14.410) 15.071 7.630 ( 0.069 9.439 2.411) 9.742 7.928 ( 1.857 -5.411 -3.156) 6.534 8.087 ( -0.759 2.014 4.264) 4.776 8.247 ( 0.758 3.555 -1.574) 3.961 8.410 ( 2.170 3.644 -2.418) 4.882 8.556 ( -0.782 0.161 4.952) 5.016 8.608 ( 2.857 -0.117 -4.935) 5.704 8.759 ( 3.048 -1.034 -6.468) 7.225 9.232 ( -3.185 4.359 7.123) 8.938 9.332 ( -1.201 5.710 5.574) 8.070 9.596 ( -2.598 -4.211 8.729) 10.034 9.844 ( -3.921 -18.225 11.385) 21.844 10.646 ( 0.373 16.506 0.761) 16.527 11.114 ( 0.778 -7.843 -2.015) 8.134 11.627 ( -1.226 1.724 1.662) 2.690 11.714 ( -0.936 -2.269 1.001) 2.650 11.951 ( 2.503 1.565 -5.440) 6.189 11.993 ( 1.824 -0.414 -4.418) 4.798 12.573 ( 1.485 0.694 -5.398) 5.641 12.617 ( 2.039 -0.846 -6.535) 6.898 12.651 ( 2.609 1.111 -8.078) 8.561 12.680 ( 1.479 0.019 -5.299) 5.502 15.955 ( -0.395 0.916 0.074) 1.000 15.994 ( 0.036 -0.865 -0.286) 0.912 18.055 ( 1.060 8.800 0.197) 8.865 18.405 ( 2.676 -9.710 -2.923) 10.487 18.705 ( 2.051 4.940 -3.310) 6.290 18.799 ( 2.382 -1.275 -3.139) 4.142 19.260 ( -0.879 1.316 0.611) 1.696 19.318 ( 1.916 -0.657 -0.680) 2.137 19.377 ( -0.584 3.028 -0.327) 3.101 19.479 ( -0.384 -1.425 -1.365) 2.010 20.014 ( 0.892 1.691 0.984) 2.150 20.089 ( 0.490 -1.058 2.305) 2.583 20.190 ( -7.626 -1.035 2.152) 7.991 20.212 ( -7.751 -0.916 2.372) 8.157 20.457 ( -2.210 1.768 2.136) 3.546 20.524 ( -2.041 -1.230 3.083) 3.897 21.087 ( 0.255 3.823 -1.610) 4.156 21.257 ( -0.038 -3.636 -2.864) 4.629 22.193 ( 2.593 1.123 -12.147) 12.472 22.302 ( 4.878 -4.924 -10.560) 12.632 22.671 ( 0.431 4.417 -2.831) 5.264 22.766 ( -1.920 -1.201 -1.216) 2.570 22.913 ( 3.371 2.803 -9.326) 10.305 22.999 ( 1.062 -1.228 -7.991) 8.154 ======================= Grid point 94 (49/111) ======================= q-point: ( 0.12 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.586 -5.312 16.395) 17.603 1.275 ( -0.450 -3.705 -0.525) 3.769 1.392 ( 7.515 10.230 14.047) 18.933 1.841 ( 2.622 -8.002 7.524) 11.293 1.912 ( -1.375 5.892 5.739) 8.339 2.052 ( 0.143 2.501 6.628) 7.085 2.178 ( 4.600 6.222 16.452) 18.181 2.411 ( -0.410 -1.715 -1.801) 2.521 2.521 ( -1.248 -1.586 2.500) 3.212 2.693 ( -2.080 2.358 6.434) 7.161 2.823 ( -3.179 1.203 0.675) 3.466 2.935 ( -6.312 0.033 3.514) 7.224 3.093 ( -1.568 3.459 1.054) 3.941 3.311 ( -4.819 -0.266 -5.428) 7.264 3.443 ( 1.398 1.858 -0.978) 2.523 3.562 ( -2.560 -7.129 5.281) 9.234 3.655 ( -1.639 -3.171 -1.829) 4.011 3.854 ( -2.056 -14.307 1.765) 14.562 4.069 ( -0.327 4.408 -3.354) 5.549 4.308 ( -0.496 -7.300 11.237) 13.409 4.588 ( -5.535 16.369 15.918) 23.494 4.785 ( 4.644 -2.065 3.043) 5.924 4.888 ( 2.966 -2.477 4.744) 6.119 5.080 ( -3.295 -2.665 13.660) 14.303 5.281 ( 1.685 -0.846 -4.044) 4.462 5.393 ( 4.977 -1.689 -6.394) 8.277 5.609 ( -1.325 11.854 1.319) 12.000 5.706 ( 0.702 18.133 -3.457) 18.473 5.976 ( -0.764 -4.676 -0.192) 4.742 6.250 ( 1.322 3.783 -1.789) 4.388 6.474 ( 2.607 -9.197 -10.345) 14.086 6.543 ( 3.075 -18.902 -5.004) 19.794 6.700 ( 0.367 0.849 -4.366) 4.463 6.930 ( 0.183 -9.928 -3.520) 10.535 7.217 ( -3.445 4.431 12.159) 13.391 7.265 ( 0.448 2.223 3.211) 3.931 7.374 ( 0.377 0.494 4.600) 4.642 7.435 ( -4.095 -1.936 15.973) 16.603 7.646 ( -0.023 9.700 1.631) 9.836 7.949 ( 2.441 -5.580 -3.688) 7.121 8.102 ( -0.782 2.040 3.751) 4.341 8.248 ( 0.661 3.019 -2.035) 3.700 8.427 ( 0.989 5.635 -2.099) 6.094 8.567 ( -2.449 -0.434 6.568) 7.024 8.617 ( 1.896 0.721 -5.610) 5.965 8.772 ( 3.265 -1.695 -7.120) 8.014 9.216 ( -3.723 4.741 7.333) 9.493 9.359 ( -0.061 4.773 5.084) 6.974 9.619 ( -1.566 -4.145 8.777) 9.832 9.848 ( -3.996 -17.476 11.504) 21.301 10.657 ( 0.076 15.830 1.210) 15.876 11.109 ( 0.189 -7.578 -1.626) 7.753 11.604 ( -2.095 1.916 1.256) 3.104 11.695 ( -1.484 -2.237 0.678) 2.769 11.945 ( 0.869 1.233 -5.340) 5.549 11.982 ( 0.250 -0.444 -4.350) 4.380 12.559 ( 1.081 0.979 -5.137) 5.340 12.606 ( 1.635 -0.390 -6.536) 6.749 12.635 ( 1.647 0.477 -7.656) 7.846 12.665 ( 0.851 -0.278 -5.142) 5.219 15.951 ( 0.002 1.050 0.051) 1.051 15.997 ( 0.445 -0.997 -0.272) 1.125 18.062 ( -0.789 8.001 0.913) 8.091 18.395 ( -1.405 -8.880 -3.862) 9.785 18.727 ( 2.638 5.296 -2.948) 6.610 18.834 ( 3.242 -1.235 -2.908) 4.527 19.216 ( -4.938 3.385 4.105) 7.259 19.339 ( 1.504 2.244 -2.216) 3.495 19.354 ( -1.873 -2.149 1.410) 3.180 19.456 ( -0.524 -2.349 -1.670) 2.929 19.990 ( -8.988 0.117 0.982) 9.042 20.004 ( -2.805 -0.196 0.701) 2.898 20.077 ( -3.567 0.764 5.078) 6.252 20.149 ( -3.728 -2.116 3.764) 5.704 20.462 ( 1.092 2.459 1.675) 3.169 20.552 ( 2.300 -1.577 2.800) 3.952 21.073 ( -0.632 3.778 -1.008) 3.961 21.247 ( 0.847 -3.866 -2.119) 4.490 22.138 ( 0.371 2.239 -10.069) 10.321 22.285 ( 0.758 -4.859 -9.398) 10.607 22.626 ( -3.028 2.454 -0.770) 3.973 22.714 ( -2.254 -2.515 0.073) 3.378 22.955 ( 7.887 3.546 -12.608) 15.289 23.026 ( 6.948 -0.446 -9.939) 12.135 ======================= Grid point 95 (50/111) ======================= q-point: ( 0.25 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 5.335 -3.684 6.850) 9.432 1.404 ( 6.831 -6.168 7.115) 11.633 1.626 ( 5.377 6.889 13.679) 16.232 1.860 ( -3.171 -2.243 3.150) 5.001 1.960 ( 0.165 -4.159 5.951) 7.262 2.063 ( -0.769 1.314 -0.838) 1.738 2.414 ( 4.127 6.038 2.028) 7.589 2.427 ( 5.381 4.764 7.250) 10.208 2.526 ( -1.263 -0.023 2.001) 2.366 2.691 ( -2.085 -1.020 3.326) 4.056 2.762 ( -2.203 1.372 4.295) 5.018 2.908 ( 0.199 4.032 5.553) 6.866 3.057 ( -6.493 7.995 -1.229) 10.373 3.151 ( -5.018 1.751 4.719) 7.107 3.434 ( -2.947 -2.800 2.792) 4.931 3.554 ( -2.957 -12.766 6.469) 14.614 3.719 ( 7.587 -2.662 1.157) 8.123 3.820 ( -2.165 -10.253 3.061) 10.917 4.072 ( 2.714 4.350 -2.660) 5.776 4.372 ( -1.143 -9.009 10.085) 13.572 4.590 ( -5.687 14.970 15.622) 22.372 4.847 ( 0.894 -0.570 0.249) 1.088 4.989 ( 2.601 -0.815 4.186) 4.995 5.103 ( -4.435 -4.929 13.084) 14.668 5.276 ( 1.035 2.846 -4.814) 5.687 5.426 ( 2.892 -2.177 -6.941) 7.829 5.589 ( -1.088 9.268 0.171) 9.333 5.708 ( 1.583 17.287 -1.945) 17.468 5.948 ( -0.871 -4.243 -1.976) 4.761 6.261 ( 1.502 3.264 -3.316) 4.889 6.445 ( 1.991 -11.958 -9.816) 15.599 6.560 ( 2.200 -16.155 -5.251) 17.128 6.701 ( 3.020 1.159 -4.212) 5.311 6.922 ( 1.624 -8.923 -3.190) 9.614 7.246 ( -2.152 4.002 10.966) 11.870 7.295 ( 0.417 2.879 2.328) 3.726 7.418 ( 1.471 0.153 2.151) 2.611 7.470 ( -4.776 -2.481 18.177) 18.957 7.648 ( -1.149 9.989 2.168) 10.286 7.962 ( 1.419 -6.013 -3.540) 7.121 8.107 ( -1.818 2.319 4.696) 5.544 8.244 ( 0.854 3.725 -3.025) 4.874 8.418 ( -0.280 4.748 -1.910) 5.125 8.554 ( -3.233 -0.922 5.721) 6.636 8.608 ( 1.600 1.896 -6.092) 6.578 8.782 ( 3.032 -2.181 -7.670) 8.531 9.195 ( -3.727 5.728 7.576) 10.203 9.396 ( 0.213 4.047 4.448) 6.018 9.653 ( -1.319 -4.396 8.433) 9.601 9.851 ( -4.148 -16.887 11.453) 20.822 10.663 ( -0.512 15.376 1.384) 15.447 11.100 ( -0.074 -7.254 -1.218) 7.356 11.569 ( -2.059 2.187 0.929) 3.144 11.670 ( -1.351 -2.373 0.427) 2.763 11.914 ( 0.068 0.965 -5.774) 5.855 11.944 ( -0.662 -0.412 -4.844) 4.907 12.545 ( 1.147 1.177 -4.751) 5.028 12.591 ( 1.586 0.488 -6.135) 6.356 12.611 ( 1.191 -0.462 -6.620) 6.743 12.644 ( 0.717 -0.558 -4.759) 4.845 15.956 ( 0.405 1.119 0.132) 1.197 16.006 ( 0.696 -1.128 -0.203) 1.341 18.038 ( -2.408 6.260 1.329) 6.837 18.302 ( -4.926 -6.291 -3.138) 8.584 18.769 ( 3.409 4.692 -2.397) 6.276 18.874 ( 2.512 -0.695 -2.327) 3.494 19.154 ( -5.401 2.657 7.870) 9.908 19.313 ( -2.951 -3.034 2.412) 4.871 19.366 ( 2.169 1.297 -2.314) 3.426 19.446 ( 1.064 -2.114 -2.382) 3.358 19.871 ( -3.722 0.095 -0.558) 3.765 19.938 ( -3.586 -2.994 0.204) 4.676 20.050 ( -2.606 1.888 4.260) 5.339 20.108 ( -3.034 -0.830 3.434) 4.657 20.513 ( 2.586 2.930 2.126) 4.449 20.632 ( 3.324 -2.388 3.031) 5.093 21.053 ( -0.956 4.694 0.186) 4.794 21.257 ( 1.150 -4.357 -0.792) 4.576 22.080 ( 0.523 2.798 -8.145) 8.628 22.218 ( -0.799 -3.448 -7.557) 8.345 22.562 ( -3.336 2.180 0.982) 4.105 22.688 ( -0.881 -4.479 0.765) 4.628 23.016 ( 8.093 3.784 -14.602) 17.118 23.097 ( 7.875 -0.667 -11.579) 14.019 ======================= Grid point 96 (51/111) ======================= q-point: ( 0.38 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 2.688 -0.669 6.369) 6.946 1.581 ( 11.292 -2.506 5.833) 12.954 1.795 ( -0.050 2.287 3.908) 4.528 1.844 ( 2.861 -3.491 9.324) 10.359 1.965 ( -2.050 -0.922 4.866) 5.360 2.049 ( -0.645 -3.363 -0.171) 3.429 2.416 ( -4.916 3.716 -2.385) 6.608 2.470 ( -2.328 5.669 6.181) 8.705 2.545 ( 1.833 0.028 1.993) 2.708 2.691 ( -2.715 -2.328 6.452) 7.377 2.800 ( -1.456 3.932 3.082) 5.204 2.900 ( -5.476 9.091 5.906) 12.145 2.991 ( 5.411 8.976 3.903) 11.184 3.121 ( -5.008 -7.292 3.923) 9.677 3.477 ( 3.199 -2.689 10.921) 11.693 3.537 ( -3.233 -14.021 6.016) 15.596 3.825 ( 2.639 -2.556 -0.197) 3.679 3.898 ( 6.197 -4.314 4.037) 8.562 4.116 ( 2.230 5.121 0.188) 5.589 4.385 ( -4.791 -5.162 8.218) 10.823 4.587 ( -5.159 13.617 13.731) 20.015 4.849 ( -0.906 0.314 1.986) 2.205 5.002 ( -2.524 -1.555 -1.363) 3.263 5.088 ( -6.917 -8.485 13.861) 17.662 5.256 ( 0.344 5.177 -4.495) 6.865 5.413 ( 1.745 -3.116 -7.579) 8.378 5.577 ( -0.788 9.718 1.605) 9.881 5.736 ( 2.453 13.389 -2.189) 13.787 5.924 ( 0.319 -3.509 -3.352) 4.863 6.259 ( 1.078 2.979 -4.172) 5.239 6.415 ( 1.912 -14.083 -9.211) 16.936 6.551 ( 1.063 -13.654 -6.055) 14.974 6.754 ( 4.795 1.978 -3.129) 6.058 6.950 ( 3.283 -7.608 -2.577) 8.678 7.277 ( -1.639 3.391 7.245) 8.165 7.311 ( -0.001 4.454 1.259) 4.629 7.453 ( 0.619 -0.713 1.452) 1.732 7.499 ( -5.935 -2.577 18.659) 19.749 7.637 ( -2.379 9.705 4.895) 11.127 7.956 ( 0.340 -6.485 -2.487) 6.953 8.098 ( -3.037 2.680 6.267) 7.462 8.242 ( 1.778 4.855 -4.583) 6.909 8.395 ( -0.545 2.064 -1.846) 2.822 8.533 ( -1.775 -1.086 2.707) 3.414 8.594 ( 1.159 2.441 -5.583) 6.202 8.780 ( 2.407 -2.260 -7.840) 8.507 9.183 ( -3.046 6.696 7.795) 10.718 9.423 ( -0.627 3.971 3.959) 5.642 9.680 ( -1.991 -4.794 7.900) 9.453 9.848 ( -4.473 -16.625 11.352) 20.623 10.655 ( -1.243 15.368 1.321) 15.474 11.089 ( -0.262 -7.099 -1.045) 7.181 11.543 ( -1.141 2.373 0.891) 2.779 11.653 ( -0.623 -2.602 0.387) 2.703 11.874 ( 0.469 0.830 -6.516) 6.585 11.897 ( -0.048 -0.277 -5.450) 5.457 12.538 ( 1.477 1.190 -4.445) 4.833 12.582 ( 1.761 1.386 -5.811) 6.228 12.594 ( 1.618 -1.361 -5.456) 5.851 12.629 ( 1.167 -0.672 -4.309) 4.515 15.967 ( 0.503 1.103 0.232) 1.234 16.018 ( 0.578 -1.184 -0.155) 1.326 17.996 ( -2.570 4.674 1.410) 5.517 18.191 ( -4.113 -4.207 -1.661) 6.114 18.811 ( 2.439 3.782 -2.534) 5.165 18.891 ( 0.573 0.150 -1.692) 1.793 19.118 ( -4.339 1.617 8.466) 9.649 19.276 ( -2.638 -4.981 2.833) 6.308 19.389 ( 1.691 2.322 -1.965) 3.480 19.460 ( 2.010 -1.342 -2.596) 3.547 19.826 ( -0.186 -0.742 -2.079) 2.215 19.879 ( -2.101 -3.261 -1.117) 4.037 20.041 ( -1.230 2.085 4.300) 4.935 20.086 ( -1.430 -0.116 2.762) 3.113 20.582 ( 2.394 2.754 2.997) 4.722 20.709 ( 1.916 -3.165 3.632) 5.184 21.042 ( -0.587 6.004 1.182) 6.147 21.275 ( 0.799 -4.602 0.358) 4.685 22.048 ( 1.797 2.570 -7.164) 7.820 22.165 ( 0.585 -2.726 -6.252) 6.846 22.519 ( -2.128 2.789 2.167) 4.123 22.684 ( -0.283 -5.409 1.123) 5.532 23.058 ( 6.957 4.059 -14.907) 16.944 23.161 ( 7.301 -1.263 -12.180) 14.257 ======================= Grid point 97 (52/111) ======================= q-point: (-0.50 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -2.161 6.650 0.685) 7.026 1.775 ( -0.298 -3.489 5.205) 6.273 1.785 ( -2.110 3.789 8.237) 9.309 1.954 ( -3.733 -6.754 1.970) 7.964 1.996 ( -1.334 -6.516 6.966) 9.631 2.051 ( 4.586 -3.173 4.502) 7.167 2.296 ( -3.192 4.176 -0.502) 5.280 2.484 ( -1.965 -3.822 3.635) 5.628 2.572 ( -0.499 5.231 9.286) 10.669 2.657 ( -1.722 2.230 3.782) 4.716 2.807 ( 0.229 3.168 4.660) 5.639 2.934 ( 2.280 10.433 6.123) 12.310 3.002 ( -7.693 -4.848 5.861) 10.819 3.164 ( 5.998 6.351 4.697) 9.918 3.512 ( -2.981 -11.639 4.459) 12.816 3.640 ( 4.132 -6.372 9.857) 12.444 3.876 ( 2.161 1.962 0.220) 2.927 3.986 ( -0.046 -5.927 1.190) 6.045 4.117 ( -5.985 7.548 5.611) 11.148 4.338 ( -1.932 0.407 4.759) 5.152 4.580 ( -6.045 8.761 12.542) 16.450 4.849 ( -1.685 -1.458 4.416) 4.947 4.893 ( -5.612 -0.740 -3.989) 6.924 5.045 ( -7.119 -10.368 13.952) 18.784 5.232 ( 0.961 2.977 -4.951) 5.856 5.406 ( 3.103 -2.345 -7.428) 8.385 5.575 ( -0.899 8.685 2.311) 9.032 5.759 ( 1.789 11.999 -3.145) 12.533 5.908 ( 0.596 -2.688 -4.156) 4.986 6.245 ( 0.455 3.030 -3.718) 4.818 6.399 ( 3.043 -16.693 -8.187) 18.840 6.523 ( 1.237 -9.742 -7.565) 12.396 6.825 ( 4.135 2.224 -2.507) 5.323 7.001 ( 3.117 -6.443 -1.717) 7.361 7.281 ( -1.385 2.951 2.720) 4.246 7.312 ( -0.868 5.383 1.116) 5.566 7.460 ( -1.638 -0.540 3.293) 3.717 7.497 ( -6.648 -1.998 15.284) 16.786 7.628 ( -3.509 8.389 8.636) 12.541 7.946 ( -0.062 -6.700 -0.633) 6.731 8.084 ( -2.861 3.054 6.362) 7.615 8.246 ( 1.967 5.832 -5.074) 7.977 8.377 ( 0.226 -0.815 -2.181) 2.340 8.523 ( -0.785 -1.403 1.270) 2.049 8.577 ( 1.202 2.568 -5.501) 6.188 8.766 ( 1.918 -1.869 -7.697) 8.150 9.188 ( -2.166 6.966 7.933) 10.777 9.423 ( -2.177 4.608 3.868) 6.398 9.684 ( -3.268 -4.948 7.538) 9.591 9.839 ( -4.638 -16.892 11.255) 20.821 10.637 ( -1.443 15.633 1.078) 15.736 11.077 ( -0.062 -7.179 -1.158) 7.272 11.541 ( 0.173 2.365 1.172) 2.645 11.654 ( 0.330 -2.800 0.533) 2.870 11.846 ( 1.781 1.145 -6.920) 7.237 11.876 ( 2.083 -0.361 -5.827) 6.198 12.540 ( 1.885 1.013 -4.269) 4.775 12.579 ( 2.177 0.308 -5.405) 5.835 12.597 ( 2.437 -0.262 -5.285) 5.825 12.630 ( 1.915 -0.583 -4.059) 4.526 15.976 ( 0.219 1.007 0.314) 1.077 16.024 ( 0.109 -1.123 -0.163) 1.140 17.966 ( -1.372 4.203 1.174) 4.574 18.135 ( -0.679 -3.448 -0.747) 3.593 18.820 ( 0.292 3.376 -2.604) 4.274 18.874 ( -1.011 0.737 -1.394) 1.873 19.105 ( -3.064 1.015 8.123) 8.741 19.250 ( -2.036 -5.332 2.527) 6.242 19.401 ( 0.815 2.963 -1.520) 3.429 19.479 ( 1.479 -1.081 -2.146) 2.821 19.827 ( 1.819 -1.697 -2.748) 3.707 19.846 ( 0.073 -2.376 -2.143) 3.200 20.071 ( 1.105 1.379 4.689) 5.011 20.094 ( 0.475 0.482 2.316) 2.413 20.637 ( 0.424 2.178 3.777) 4.381 20.751 ( -0.671 -3.383 4.253) 5.475 21.046 ( -0.150 6.822 1.482) 6.983 21.292 ( 0.498 -4.660 0.751) 4.746 22.050 ( 3.645 2.157 -6.993) 8.175 22.156 ( 2.946 -2.671 -6.006) 7.203 22.511 ( -0.402 3.488 2.586) 4.360 22.693 ( 0.333 -5.331 1.458) 5.537 23.074 ( 5.305 4.391 -14.237) 15.815 23.206 ( 6.260 -2.098 -12.356) 14.009 ======================= Grid point 98 (53/111) ======================= q-point: (-0.38 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -7.776 6.377 1.925) 10.239 1.687 ( -12.250 -2.515 2.155) 12.690 1.772 ( -12.947 -4.492 10.250) 17.113 1.840 ( -0.114 7.722 10.488) 13.025 1.952 ( -5.812 -8.403 4.427) 11.135 2.120 ( -0.671 -1.846 -3.167) 3.727 2.293 ( 1.046 0.413 -1.878) 2.189 2.502 ( 0.542 -5.563 4.853) 7.402 2.658 ( -2.126 3.167 12.840) 13.394 2.708 ( 3.071 2.085 5.870) 6.945 2.843 ( -5.188 -3.115 5.712) 8.321 2.870 ( -1.619 3.374 4.246) 5.659 3.087 ( 7.091 8.298 5.292) 12.130 3.298 ( 3.452 9.349 7.006) 12.182 3.480 ( -2.694 -8.496 1.883) 9.109 3.751 ( 1.170 -5.608 6.604) 8.743 3.871 ( -6.742 0.592 1.989) 7.054 3.930 ( -1.887 2.464 4.711) 5.641 4.047 ( -3.205 1.500 3.659) 5.090 4.362 ( -1.473 -7.678 3.720) 8.658 4.497 ( -9.383 6.243 9.340) 14.637 4.776 ( -3.968 5.680 -2.006) 7.214 4.836 ( -3.243 -3.119 5.703) 7.265 5.017 ( -5.566 -7.967 12.981) 16.216 5.231 ( 2.618 -1.058 -5.522) 6.202 5.423 ( 3.443 -4.488 -6.759) 8.813 5.574 ( -0.711 9.011 1.988) 9.255 5.764 ( 1.438 12.856 -4.016) 13.545 5.886 ( 0.283 -1.245 -4.007) 4.205 6.230 ( 0.416 2.445 -2.613) 3.603 6.419 ( 4.306 -18.759 -6.813) 20.417 6.497 ( 2.449 -6.058 -9.525) 11.551 6.867 ( 1.948 2.395 -2.758) 4.140 7.035 ( 1.232 -5.748 -0.901) 5.947 7.267 ( -1.583 2.064 1.582) 3.044 7.291 ( -1.720 5.370 0.033) 5.638 7.440 ( -3.772 -0.374 6.327) 7.376 7.463 ( -7.155 -1.684 13.264) 15.165 7.619 ( -3.724 8.182 8.749) 12.544 7.945 ( -0.171 -6.402 0.708) 6.443 8.078 ( -2.004 2.682 5.292) 6.262 8.245 ( 1.271 6.502 -3.836) 7.656 8.372 ( 0.972 -2.650 -2.817) 3.988 8.519 ( -0.655 -1.315 1.481) 2.086 8.566 ( 1.750 2.254 -5.516) 6.210 8.749 ( 1.975 -1.172 -7.341) 7.692 9.208 ( -1.731 6.458 7.915) 10.361 9.395 ( -3.517 5.518 4.201) 7.776 9.662 ( -4.438 -4.788 7.570) 9.996 9.831 ( -4.313 -17.539 11.150) 21.226 10.620 ( -0.887 16.031 0.816) 16.076 11.074 ( 0.758 -7.455 -1.435) 7.630 11.564 ( 1.089 2.186 1.597) 2.918 11.672 ( 0.977 -2.836 0.769) 3.097 11.850 ( 3.577 1.661 -6.757) 7.824 11.894 ( 3.829 -0.547 -5.827) 6.994 12.550 ( 2.311 0.698 -4.332) 4.960 12.590 ( 2.761 -0.667 -5.366) 6.072 12.611 ( 3.059 0.821 -5.869) 6.669 12.644 ( 2.520 -0.350 -4.172) 4.887 15.979 ( -0.221 0.871 0.363) 0.970 16.020 ( -0.357 -0.978 -0.190) 1.059 17.963 ( 0.355 5.057 0.653) 5.111 18.154 ( 2.941 -3.840 -0.386) 4.852 18.788 ( -1.665 3.614 -2.390) 4.641 18.839 ( -1.293 0.679 -1.550) 2.129 19.118 ( -1.373 0.613 7.969) 8.110 19.235 ( -1.215 -4.674 2.286) 5.343 19.400 ( 0.241 3.354 -1.482) 3.675 19.486 ( 0.614 -1.100 -1.451) 1.922 19.851 ( 2.441 -1.463 -1.948) 3.449 19.862 ( 3.314 -1.874 -2.540) 4.577 20.129 ( 1.791 1.158 2.549) 3.324 20.152 ( 3.119 0.210 4.443) 5.433 20.642 ( -2.799 1.765 4.037) 5.220 20.741 ( -3.576 -3.073 4.603) 6.589 21.056 ( 0.270 6.770 1.051) 6.857 21.304 ( 0.337 -4.767 0.154) 4.782 22.089 ( 5.606 1.700 -7.657) 9.641 22.186 ( 4.519 -2.761 -6.969) 8.753 22.538 ( 1.368 4.159 2.104) 4.857 22.719 ( 1.163 -4.608 1.581) 5.009 23.061 ( 3.269 4.642 -12.980) 14.168 23.227 ( 4.789 -3.181 -12.558) 13.811 ======================= Grid point 99 (54/111) ======================= q-point: (-0.25 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -14.390 6.271 6.967) 17.174 1.385 ( -17.760 -1.130 6.254) 18.863 1.650 ( -9.959 -4.070 13.791) 17.491 1.820 ( -6.274 -1.832 3.874) 7.597 1.954 ( 0.790 -1.210 6.887) 7.037 2.029 ( -4.896 5.413 -4.753) 8.710 2.260 ( -4.505 -1.408 -0.625) 4.761 2.501 ( -4.913 6.040 4.385) 8.936 2.597 ( -8.033 -1.573 11.610) 14.205 2.763 ( -1.902 2.733 4.910) 5.933 2.832 ( 0.902 -4.419 6.505) 7.915 2.969 ( 4.282 -2.642 5.366) 7.356 3.234 ( 3.259 3.436 2.444) 5.329 3.388 ( 1.332 9.902 4.547) 10.977 3.431 ( -3.499 -6.363 1.578) 7.432 3.759 ( -5.100 -1.153 1.885) 5.558 3.801 ( -0.036 -0.657 4.915) 4.959 3.960 ( 1.035 0.118 3.785) 3.925 4.026 ( -1.055 -0.025 1.135) 1.550 4.265 ( -8.633 -20.254 5.630) 22.726 4.449 ( -3.754 12.946 9.461) 16.468 4.695 ( -3.509 10.888 0.115) 11.440 4.814 ( -2.773 -4.588 4.900) 7.263 5.017 ( -3.732 -6.063 12.467) 14.357 5.245 ( 2.586 -2.374 -5.270) 6.332 5.422 ( 0.700 -8.357 -5.952) 10.283 5.582 ( -0.016 13.080 2.533) 13.323 5.761 ( 1.449 12.783 -5.132) 13.851 5.874 ( 1.234 0.033 -2.467) 2.759 6.227 ( 0.761 2.374 -1.647) 2.988 6.448 ( 3.050 -16.152 -6.641) 17.729 6.496 ( 4.783 -8.632 -9.930) 14.000 6.860 ( -0.393 2.610 -3.528) 4.406 7.036 ( -0.384 -6.160 -1.176) 6.283 7.242 ( -3.468 1.479 5.286) 6.493 7.253 ( -1.342 5.317 -1.294) 5.635 7.409 ( -3.344 -2.602 4.010) 5.834 7.413 ( -8.889 -0.418 18.418) 20.455 7.611 ( -2.565 9.021 6.533) 11.430 7.944 ( -0.308 -6.199 -0.176) 6.209 8.077 ( -1.803 2.125 4.627) 5.402 8.243 ( 0.739 6.276 -2.249) 6.707 8.374 ( 1.421 -2.489 -3.096) 4.219 8.521 ( -0.487 -0.821 2.323) 2.511 8.567 ( 2.430 1.693 -5.412) 6.170 8.742 ( 2.486 -0.584 -6.937) 7.393 9.228 ( -1.942 5.599 7.688) 9.707 9.355 ( -3.684 6.129 4.805) 8.616 9.626 ( -4.703 -4.612 7.912) 10.295 9.831 ( -3.798 -18.122 11.131) 21.604 10.617 ( 0.090 16.508 0.723) 16.524 11.086 ( 1.588 -7.777 -1.737) 8.125 11.599 ( 1.041 1.948 1.907) 2.918 11.698 ( 0.860 -2.675 1.044) 2.997 11.884 ( 4.533 1.946 -6.349) 8.040 11.934 ( 4.280 -0.569 -5.452) 6.955 12.566 ( 2.481 0.421 -4.759) 5.384 12.607 ( 2.877 -1.220 -5.680) 6.483 12.630 ( 3.516 1.542 -6.820) 7.826 12.665 ( 2.697 -0.060 -4.570) 5.307 15.973 ( -0.542 0.775 0.337) 1.004 16.010 ( -0.523 -0.851 -0.215) 1.022 17.986 ( 1.762 6.773 -0.054) 6.998 18.235 ( 5.422 -5.527 -0.394) 7.752 18.733 ( -1.906 4.353 -2.023) 5.165 18.807 ( -0.620 -0.001 -2.111) 2.200 19.167 ( 0.797 0.311 7.616) 7.664 19.239 ( 0.081 -3.109 1.960) 3.676 19.392 ( 0.270 3.825 -1.928) 4.292 19.486 ( 0.417 -1.107 -1.055) 1.585 19.901 ( 3.661 -0.313 -1.025) 3.814 19.928 ( 4.814 -1.701 -1.105) 5.224 20.185 ( 1.888 1.842 2.450) 3.600 20.252 ( 3.784 -1.349 3.670) 5.442 20.590 ( -5.074 1.776 3.774) 6.568 20.680 ( -5.921 -2.496 4.853) 8.052 21.071 ( 0.827 5.929 0.035) 5.987 21.303 ( -0.163 -4.612 -1.135) 4.753 22.153 ( 6.855 0.959 -9.421) 11.690 22.222 ( 4.778 -2.410 -8.563) 10.097 22.588 ( 2.625 4.821 0.666) 5.530 22.756 ( 1.579 -3.542 0.928) 3.988 23.018 ( 1.139 4.393 -11.224) 12.107 23.205 ( 1.914 -4.299 -12.996) 13.822 ======================= Grid point 100 (55/111) ======================= q-point: (-0.12 0.25 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -14.890 10.369 14.096) 22.976 1.178 ( -11.136 2.609 13.333) 17.566 1.569 ( -8.174 -6.465 10.607) 14.871 1.733 ( -3.597 -5.724 1.145) 6.857 1.895 ( -6.526 17.470 4.125) 19.100 2.003 ( -0.864 -3.859 5.713) 6.948 2.123 ( -10.502 -0.646 9.672) 14.292 2.452 ( -2.111 6.076 2.657) 6.960 2.563 ( -2.484 -6.172 4.451) 8.005 2.730 ( -4.348 2.373 4.657) 6.799 2.893 ( -0.257 -2.170 6.075) 6.456 3.054 ( 0.147 -2.017 2.837) 3.484 3.238 ( -2.739 -1.644 -0.092) 3.196 3.369 ( -0.607 -3.887 -2.295) 4.555 3.435 ( -0.355 3.168 4.165) 5.245 3.650 ( -5.391 3.985 -2.466) 7.143 3.813 ( -1.921 -4.472 1.780) 5.182 3.942 ( -3.566 -13.560 -2.739) 14.286 4.062 ( 2.711 5.116 4.455) 7.306 4.225 ( -2.871 -11.053 10.905) 15.790 4.457 ( -0.458 10.508 7.870) 13.136 4.662 ( -2.656 13.290 7.245) 15.368 4.803 ( -0.699 -5.367 2.160) 5.828 5.039 ( -3.400 -3.330 12.318) 13.205 5.255 ( 2.012 -2.267 -4.246) 5.217 5.373 ( -1.293 -7.380 -4.194) 8.586 5.604 ( -0.079 15.971 3.173) 16.284 5.743 ( 0.644 13.253 -5.156) 14.235 5.908 ( 3.027 -1.464 -0.143) 3.366 6.232 ( 0.667 2.972 -1.005) 3.208 6.457 ( 3.700 -10.093 -8.229) 13.538 6.522 ( 3.873 -16.277 -8.041) 18.563 6.808 ( -1.843 2.705 -4.080) 5.230 7.006 ( -1.223 -7.884 -2.596) 8.390 7.216 ( -4.478 2.697 9.776) 11.086 7.231 ( -0.119 4.765 -0.696) 4.817 7.365 ( -6.029 -3.113 11.414) 13.279 7.396 ( -4.982 -1.116 13.335) 14.279 7.614 ( -0.997 9.434 4.130) 10.347 7.930 ( 0.010 -5.967 -2.189) 6.356 8.076 ( -1.554 2.200 4.838) 5.537 8.243 ( 0.683 5.095 -1.517) 5.360 8.386 ( 2.045 -0.024 -2.822) 3.485 8.535 ( -0.266 -0.114 3.593) 3.605 8.584 ( 3.137 0.641 -5.325) 6.214 8.747 ( 2.870 -0.555 -6.527) 7.151 9.238 ( -2.585 4.740 7.263) 9.050 9.329 ( -2.586 6.244 5.472) 8.696 9.598 ( -3.897 -4.430 8.363) 10.234 9.838 ( -3.690 -18.512 11.217) 21.958 10.631 ( 0.667 16.783 0.601) 16.807 11.105 ( 1.555 -7.917 -2.022) 8.318 11.625 ( 0.082 1.751 1.927) 2.605 11.715 ( 0.036 -2.441 1.168) 2.706 11.926 ( 4.061 1.877 -5.886) 7.393 11.974 ( 3.415 -0.468 -4.900) 5.991 12.576 ( 2.120 0.440 -5.269) 5.697 12.618 ( 2.520 -1.145 -6.144) 6.738 12.648 ( 3.431 1.542 -7.713) 8.581 12.680 ( 2.285 0.114 -5.075) 5.567 15.964 ( -0.597 0.792 0.213) 1.014 15.999 ( -0.350 -0.809 -0.250) 0.916 18.024 ( 2.045 8.310 -0.368) 8.566 18.340 ( 5.411 -8.434 -1.496) 10.132 18.700 ( 0.227 5.042 -2.325) 5.557 18.790 ( 0.755 -0.847 -2.818) 3.038 19.244 ( 1.647 -0.733 3.597) 4.024 19.265 ( 1.689 -0.859 2.181) 2.890 19.385 ( 0.532 4.493 -2.324) 5.086 19.487 ( 0.341 -1.063 -1.095) 1.564 19.968 ( 3.144 0.945 0.236) 3.292 20.023 ( 4.515 -1.569 0.810) 4.849 20.222 ( -0.256 1.650 2.431) 2.949 20.317 ( -0.180 -2.823 0.739) 2.923 20.514 ( -5.021 1.780 3.134) 6.181 20.589 ( -6.487 -1.749 4.364) 8.012 21.085 ( 0.906 4.737 -1.136) 4.955 21.283 ( -0.486 -4.030 -2.426) 4.729 22.200 ( 5.376 0.653 -11.949) 13.119 22.260 ( 6.063 -2.742 -9.656) 11.727 22.644 ( 3.219 5.297 -1.520) 6.382 22.783 ( 0.731 -2.164 -0.564) 2.352 22.954 ( 0.154 3.195 -9.404) 9.933 23.106 ( -2.882 -3.743 -11.462) 12.397 ======================= Grid point 101 (56/111) ======================= q-point: ( 0.00 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -3.102 -8.541 9.127) 12.879 1.172 ( -3.102 8.541 9.127) 12.879 1.489 ( -1.218 -15.985 9.196) 18.482 1.489 ( -1.218 15.985 9.196) 18.482 1.996 ( -0.411 -0.459 4.498) 4.540 1.996 ( -0.411 0.459 4.498) 4.540 2.291 ( -0.526 -16.881 3.790) 17.309 2.291 ( -0.526 16.881 3.790) 17.309 2.594 ( -5.453 -8.999 9.925) 14.465 2.594 ( -5.453 8.999 9.925) 14.465 2.968 ( -4.287 -3.994 1.104) 5.962 2.968 ( -4.287 3.994 1.104) 5.962 3.223 ( -1.004 -8.573 1.762) 8.809 3.223 ( -1.004 8.573 1.762) 8.809 3.577 ( -1.979 -13.513 4.790) 14.472 3.577 ( -1.979 13.513 4.790) 14.472 3.656 ( -3.720 -5.021 -2.470) 6.720 3.656 ( -3.720 5.021 -2.470) 6.720 4.177 ( -0.315 -4.686 2.899) 5.519 4.177 ( -0.315 4.686 2.899) 5.519 4.703 ( 4.467 -7.325 1.023) 8.640 4.703 ( 4.467 7.325 1.023) 8.640 4.916 ( -6.688 -14.594 14.758) 21.806 4.916 ( -6.688 14.594 14.758) 21.806 5.276 ( 3.650 -3.780 -3.303) 6.206 5.276 ( 3.650 3.780 -3.303) 6.206 5.834 ( 0.763 -9.268 -1.421) 9.407 5.834 ( 0.763 9.268 -1.421) 9.407 6.111 ( 1.767 -23.631 -2.844) 23.867 6.111 ( 1.767 23.631 -2.844) 23.867 6.352 ( 2.070 -7.942 -5.410) 9.830 6.352 ( 2.070 7.942 -5.410) 9.830 6.806 ( -2.162 -6.000 -3.306) 7.183 6.806 ( -2.162 6.000 -3.306) 7.183 7.243 ( -3.265 -1.678 10.627) 11.243 7.243 ( -3.265 1.678 10.627) 11.243 7.378 ( -2.535 -2.503 10.075) 10.686 7.378 ( -2.535 2.503 10.075) 10.686 7.797 ( 1.886 -8.857 -2.614) 9.425 7.797 ( 1.886 8.857 -2.614) 9.425 8.190 ( 0.131 -7.517 0.655) 7.547 8.190 ( 0.131 7.517 0.655) 7.547 8.487 ( 2.024 -5.879 -0.579) 6.245 8.487 ( 2.024 5.879 -0.579) 6.245 8.703 ( 2.639 -5.657 -5.598) 8.385 8.703 ( 2.639 5.657 -5.598) 8.385 9.356 ( -2.660 -6.630 6.256) 9.496 9.356 ( -2.660 6.630 6.256) 9.496 9.586 ( -3.599 -7.985 12.166) 14.991 9.586 ( -3.599 7.985 12.166) 14.991 10.919 ( 0.636 -13.644 -0.976) 13.694 10.919 ( 0.636 13.644 -0.976) 13.694 11.668 ( -0.991 -2.678 1.225) 3.108 11.668 ( -0.991 2.678 1.225) 3.108 11.978 ( 2.105 -1.259 -5.006) 5.574 11.978 ( 2.105 1.259 -5.006) 5.574 12.593 ( 1.924 -1.482 -6.019) 6.490 12.593 ( 1.924 1.482 -6.019) 6.490 12.672 ( 1.834 -0.946 -6.587) 6.903 12.672 ( 1.834 0.946 -6.587) 6.903 15.975 ( -0.172 -1.208 -0.094) 1.223 15.975 ( -0.172 1.208 -0.094) 1.223 18.229 ( 2.104 -10.085 -2.143) 10.523 18.229 ( 2.104 10.085 -2.143) 10.523 18.767 ( 2.202 -2.391 -3.268) 4.609 18.767 ( 2.202 2.391 -3.268) 4.609 19.291 ( 1.070 -1.975 0.745) 2.366 19.291 ( 1.070 1.975 0.745) 2.366 19.438 ( -1.033 -3.134 -1.731) 3.726 19.438 ( -1.033 3.134 -1.731) 3.726 20.054 ( 1.248 -2.510 0.363) 2.826 20.054 ( 1.248 2.510 0.363) 2.826 20.192 ( -8.007 -1.032 3.502) 8.800 20.192 ( -8.007 1.032 3.502) 8.800 20.494 ( -1.977 -2.091 2.545) 3.841 20.494 ( -1.977 2.091 2.545) 3.841 21.172 ( -0.002 -5.342 -2.266) 5.803 21.172 ( -0.002 5.342 -2.266) 5.803 22.229 ( 3.383 -3.073 -11.090) 11.994 22.229 ( 3.383 3.073 -11.090) 11.994 22.733 ( -0.910 -2.563 -3.046) 4.084 22.733 ( -0.910 2.563 -3.046) 4.084 22.965 ( 2.769 -2.604 -8.271) 9.102 22.965 ( 2.769 2.604 -8.271) 9.102 ======================= Grid point 103 (57/111) ======================= q-point: ( 0.12 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.145 -3.939 6.399) 7.515 1.189 ( 0.145 3.939 6.399) 7.515 1.620 ( 5.637 -14.008 9.851) 18.029 1.620 ( 5.637 14.008 9.851) 18.029 2.013 ( -1.617 -5.302 4.784) 7.322 2.013 ( -1.617 5.302 4.784) 7.322 2.352 ( 3.976 -6.154 2.164) 7.640 2.352 ( 3.976 6.154 2.164) 7.640 2.613 ( -0.057 -10.931 10.529) 15.177 2.613 ( -0.057 10.931 10.529) 15.177 2.863 ( -6.031 -4.264 1.213) 7.485 2.863 ( -6.031 4.264 1.213) 7.485 3.224 ( -1.303 -9.165 2.264) 9.530 3.224 ( -1.303 9.165 2.264) 9.530 3.535 ( -4.253 -4.621 -5.639) 8.441 3.535 ( -4.253 4.621 -5.639) 8.441 3.601 ( -1.359 -5.022 7.970) 9.518 3.601 ( -1.359 5.022 7.970) 9.518 4.179 ( -0.343 -7.182 1.275) 7.302 4.179 ( -0.343 7.182 1.275) 7.302 4.806 ( 2.251 -2.859 4.921) 6.120 4.806 ( 2.251 2.859 4.921) 6.120 4.908 ( -3.384 -14.337 13.988) 20.314 4.908 ( -3.384 14.337 13.988) 20.314 5.329 ( 3.859 -4.556 -3.650) 6.998 5.329 ( 3.859 4.556 -3.650) 6.998 5.818 ( -0.560 -11.274 -3.149) 11.719 5.818 ( -0.560 11.274 -3.149) 11.719 6.116 ( 0.813 -23.889 -2.855) 24.072 6.116 ( 0.813 23.889 -2.855) 24.072 6.358 ( 2.352 -7.417 -5.327) 9.430 6.358 ( 2.352 7.417 -5.327) 9.430 6.760 ( 0.057 -6.799 -3.270) 7.545 6.760 ( 0.057 6.799 -3.270) 7.545 7.268 ( -2.480 -1.392 11.752) 12.091 7.268 ( -2.480 1.392 11.752) 12.091 7.403 ( -1.606 -2.036 8.229) 8.628 7.403 ( -1.606 2.036 8.229) 8.628 7.818 ( 2.184 -8.917 -3.418) 9.797 7.818 ( 2.184 8.917 -3.418) 9.797 8.199 ( 0.167 -6.879 0.713) 6.917 8.199 ( 0.167 6.879 0.713) 6.917 8.506 ( 0.166 -5.203 -0.408) 5.221 8.506 ( 0.166 5.203 -0.408) 5.221 8.713 ( 2.453 -5.562 -5.877) 8.455 8.713 ( 2.453 5.562 -5.877) 8.455 9.354 ( -2.284 -8.115 6.663) 10.745 9.354 ( -2.284 8.115 6.663) 10.745 9.607 ( -3.067 -7.095 11.858) 14.155 9.607 ( -3.067 7.095 11.858) 14.155 10.922 ( 0.189 -13.202 -0.520) 13.213 10.922 ( 0.189 13.202 -0.520) 13.213 11.648 ( -1.707 -2.834 0.887) 3.425 11.648 ( -1.707 2.834 0.887) 3.425 11.968 ( 0.494 -1.114 -4.902) 5.051 11.968 ( 0.494 1.114 -4.902) 5.051 12.584 ( 1.518 -1.604 -5.816) 6.222 12.584 ( 1.518 1.604 -5.816) 6.222 12.653 ( 1.026 -1.030 -6.377) 6.541 12.653 ( 1.026 1.030 -6.377) 6.541 15.974 ( 0.213 -1.414 -0.108) 1.434 15.974 ( 0.213 1.414 -0.108) 1.434 18.227 ( -0.870 -9.798 -1.991) 10.036 18.227 ( -0.870 9.798 -1.991) 10.036 18.799 ( 3.219 -2.861 -3.042) 5.273 18.799 ( 3.219 2.861 -3.042) 5.273 19.290 ( -2.602 -4.291 1.819) 5.338 19.290 ( -2.602 4.291 1.819) 5.338 19.400 ( -0.762 -3.668 -1.410) 4.002 19.400 ( -0.762 3.668 -1.410) 4.002 19.996 ( -6.455 -0.521 0.035) 6.476 19.996 ( -6.455 0.521 0.035) 6.476 20.106 ( -3.229 -2.365 5.109) 6.490 20.106 ( -3.229 2.365 5.109) 6.490 20.512 ( 1.710 -2.827 2.251) 3.998 20.512 ( 1.710 2.827 2.251) 3.998 21.159 ( 0.150 -5.448 -1.652) 5.695 21.159 ( 0.150 5.448 -1.652) 5.695 22.198 ( 1.080 -4.398 -9.583) 10.599 22.198 ( 1.080 4.398 -9.583) 10.599 22.670 ( -3.178 -2.429 -1.028) 4.130 22.670 ( -3.178 2.429 -1.028) 4.130 23.006 ( 7.361 -1.979 -10.873) 13.279 23.006 ( 7.361 1.979 -10.873) 13.279 ======================= Grid point 105 (58/111) ======================= q-point: ( 0.25 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.438 -3.610 6.508) 9.840 1.298 ( 6.438 3.610 6.508) 9.840 1.778 ( 3.166 -8.859 8.255) 12.516 1.778 ( 3.166 8.859 8.255) 12.516 1.994 ( -2.479 -7.123 2.102) 7.829 1.994 ( -2.479 7.123 2.102) 7.829 2.464 ( 5.391 -1.769 2.130) 6.060 2.464 ( 5.391 1.769 2.130) 6.060 2.636 ( -5.104 -6.300 3.308) 8.757 2.636 ( -5.104 6.300 3.308) 8.757 2.847 ( 3.470 -9.014 5.901) 11.319 2.847 ( 3.470 9.014 5.901) 11.319 3.161 ( -7.034 -2.354 1.463) 7.560 3.161 ( -7.034 2.354 1.463) 7.560 3.422 ( -5.258 -2.894 4.310) 7.389 3.422 ( -5.258 2.894 4.310) 7.389 3.684 ( 4.804 -1.849 4.965) 7.151 3.684 ( 4.804 1.849 4.965) 7.151 4.201 ( 1.425 -9.224 2.183) 9.585 4.201 ( 1.425 9.224 2.183) 9.585 4.831 ( -4.408 -7.118 11.522) 14.243 4.831 ( -4.408 7.118 11.522) 14.243 4.972 ( 0.010 -3.264 6.572) 7.338 4.972 ( 0.010 3.264 6.572) 7.338 5.359 ( 2.240 -4.708 -4.878) 7.140 5.359 ( 2.240 4.708 -4.878) 7.140 5.783 ( 0.017 -11.463 -4.144) 12.189 5.783 ( 0.017 11.463 -4.144) 12.189 6.103 ( -0.075 -22.745 -2.661) 22.901 6.103 ( -0.075 22.745 -2.661) 22.901 6.364 ( 2.184 -7.589 -5.818) 9.809 6.364 ( 2.184 7.589 -5.818) 9.809 6.765 ( 2.802 -6.659 -3.159) 7.885 6.765 ( 2.802 6.659 -3.159) 7.885 7.306 ( -2.088 -1.717 11.034) 11.361 7.306 ( -2.088 1.717 11.034) 11.361 7.431 ( -1.366 -1.693 7.642) 7.946 7.431 ( -1.366 1.693 7.642) 7.946 7.827 ( 1.052 -9.084 -3.069) 9.646 7.827 ( 1.052 9.084 -3.069) 9.646 8.204 ( -0.366 -6.747 1.149) 6.854 8.204 ( -0.366 6.747 1.149) 6.854 8.489 ( -1.008 -5.124 -1.544) 5.446 8.489 ( -1.008 5.124 -1.544) 5.446 8.715 ( 2.062 -5.805 -5.975) 8.582 8.715 ( 2.062 5.805 -5.975) 8.582 9.360 ( -2.114 -10.306 7.097) 12.690 9.360 ( -2.114 10.306 7.097) 12.690 9.631 ( -2.954 -5.923 11.090) 12.915 9.631 ( -2.954 5.923 11.090) 12.915 10.920 ( -0.154 -12.764 -0.242) 12.767 10.920 ( -0.154 12.764 -0.242) 12.767 11.619 ( -1.662 -3.133 0.602) 3.597 11.619 ( -1.662 3.133 0.602) 3.597 11.932 ( -0.331 -0.933 -5.313) 5.405 11.932 ( -0.331 0.933 -5.313) 5.405 12.573 ( 1.483 -1.721 -5.422) 5.879 12.573 ( 1.483 1.721 -5.422) 5.879 12.627 ( 0.792 -1.309 -5.672) 5.875 12.627 ( 0.792 1.309 -5.672) 5.875 15.981 ( 0.528 -1.577 -0.033) 1.664 15.981 ( 0.528 1.577 -0.033) 1.664 18.171 ( -3.366 -8.012 -1.337) 8.792 18.171 ( -3.366 8.012 -1.337) 8.792 18.843 ( 3.128 -3.057 -2.637) 5.108 18.843 ( 3.128 3.057 -2.637) 5.108 19.230 ( -5.308 -5.377 5.569) 9.386 19.230 ( -5.308 5.377 5.569) 9.386 19.403 ( 2.060 -2.517 -2.592) 4.159 19.403 ( 2.060 2.517 -2.592) 4.159 19.890 ( -4.019 -2.069 -0.402) 4.538 19.890 ( -4.019 2.069 -0.402) 4.538 20.084 ( -2.470 -1.782 3.994) 5.023 20.084 ( -2.470 1.782 3.994) 5.023 20.576 ( 2.700 -3.700 2.735) 5.335 20.576 ( 2.700 3.700 2.735) 5.335 21.157 ( 0.384 -6.365 -0.456) 6.393 21.157 ( 0.384 6.365 -0.456) 6.393 22.146 ( 0.232 -4.278 -7.922) 9.006 22.146 ( 0.232 4.278 -7.922) 9.006 22.613 ( -2.286 -3.628 0.459) 4.313 22.613 ( -2.286 3.628 0.459) 4.313 23.072 ( 7.752 -2.293 -12.617) 14.984 23.072 ( 7.752 2.293 -12.617) 14.984 ======================= Grid point 107 (59/111) ======================= q-point: ( 0.38 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 9.066 -2.494 6.499) 11.431 1.507 ( 9.066 2.494 6.499) 11.431 1.852 ( -0.590 -3.131 6.650) 7.373 1.852 ( -0.590 3.131 6.650) 7.373 1.969 ( -1.344 -4.836 1.876) 5.359 1.969 ( -1.344 4.836 1.876) 5.359 2.485 ( -4.850 -3.595 -0.856) 6.097 2.485 ( -4.850 3.595 -0.856) 6.097 2.616 ( 1.256 -6.410 6.413) 9.154 2.616 ( 1.256 6.410 6.413) 9.154 2.933 ( -2.363 -10.332 1.920) 10.772 2.933 ( -2.363 10.332 1.920) 10.772 3.057 ( -0.466 -4.584 3.517) 5.797 3.057 ( -0.466 4.584 3.517) 5.797 3.409 ( -2.124 -2.171 11.702) 12.089 3.409 ( -2.124 2.171 11.702) 12.089 3.823 ( 5.835 -2.969 2.240) 6.919 3.823 ( 5.835 2.969 2.240) 6.919 4.253 ( 0.955 -8.847 4.362) 9.910 4.253 ( 0.955 8.847 4.362) 9.910 4.825 ( -4.264 -10.420 11.168) 15.858 4.825 ( -4.264 10.420 11.168) 15.858 4.950 ( -6.018 -2.960 3.920) 7.768 4.950 ( -6.018 2.960 3.920) 7.768 5.352 ( 1.235 -3.906 -5.781) 7.085 5.352 ( 1.235 3.906 -5.781) 7.085 5.766 ( 1.058 -10.936 -3.879) 11.651 5.766 ( 1.058 10.936 -3.879) 11.651 6.080 ( -0.208 -20.587 -2.661) 20.760 6.080 ( -0.208 20.587 -2.661) 20.760 6.360 ( 1.824 -8.160 -5.964) 10.271 6.360 ( 1.824 8.160 -5.964) 10.271 6.819 ( 4.591 -5.759 -2.672) 7.835 6.819 ( 4.591 5.759 -2.672) 7.835 7.335 ( -2.167 -1.964 8.317) 8.816 7.335 ( -2.167 1.964 8.317) 8.816 7.456 ( -1.901 -1.647 8.170) 8.548 7.456 ( -1.901 1.647 8.170) 8.548 7.816 ( -0.417 -9.242 -1.448) 9.365 7.816 ( -0.417 9.242 -1.448) 9.365 8.202 ( -0.759 -7.399 1.669) 7.623 8.202 ( -0.759 7.399 1.669) 7.623 8.455 ( -0.452 -5.820 -3.358) 6.735 8.455 ( -0.452 5.820 -3.358) 6.735 8.708 ( 1.676 -6.075 -5.964) 8.676 8.708 ( 1.676 6.075 -5.964) 8.676 9.371 ( -2.141 -11.953 7.454) 14.248 9.371 ( -2.141 11.953 7.454) 14.248 9.644 ( -3.524 -5.143 10.279) 12.022 9.644 ( -3.524 5.143 10.279) 12.022 10.911 ( -0.568 -12.653 -0.237) 12.668 10.911 ( -0.568 12.653 -0.237) 12.668 11.597 ( -0.881 -3.402 0.541) 3.555 11.597 ( -0.881 3.402 0.541) 3.555 11.888 ( 0.225 -0.714 -5.933) 5.980 11.888 ( 0.225 0.714 -5.933) 5.980 12.565 ( 1.588 -1.732 -5.104) 5.619 12.565 ( 1.588 1.732 -5.104) 5.619 12.609 ( 1.385 -1.501 -4.872) 5.282 12.609 ( 1.385 1.501 -4.872) 5.282 15.992 ( 0.521 -1.612 0.044) 1.695 15.992 ( 0.521 1.612 0.044) 1.695 18.097 ( -3.124 -5.999 -0.543) 6.785 18.097 ( -3.124 5.999 -0.543) 6.785 18.874 ( 1.671 -2.443 -2.312) 3.756 18.874 ( 1.671 2.443 -2.312) 3.756 19.179 ( -4.314 -5.154 6.514) 9.360 19.179 ( -4.314 5.154 6.514) 9.360 19.429 ( 2.323 -2.104 -2.658) 4.110 19.429 ( 2.323 2.104 -2.658) 4.110 19.832 ( -1.310 -1.602 -1.637) 2.639 19.832 ( -1.310 1.602 -1.637) 2.639 20.073 ( -1.200 -1.364 3.453) 3.902 20.073 ( -1.200 1.364 3.453) 3.902 20.644 ( 1.819 -3.882 3.559) 5.572 20.644 ( 1.819 3.882 3.559) 5.572 21.166 ( 0.459 -7.178 0.546) 7.213 21.166 ( 0.459 7.178 0.546) 7.213 22.105 ( 1.194 -3.614 -6.778) 7.773 22.105 ( 1.194 3.614 -6.778) 7.773 22.588 ( -0.993 -4.902 1.306) 5.170 22.588 ( -0.993 4.902 1.306) 5.170 23.124 ( 6.867 -3.007 -13.117) 15.108 23.124 ( 6.867 3.007 -13.117) 15.108 ======================= Grid point 109 (60/111) ======================= q-point: (-0.50 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.797 -6.159 1.936) 6.505 1.653 ( 0.797 6.159 1.936) 6.505 1.877 ( -4.106 -3.024 9.950) 11.180 1.877 ( -4.106 3.024 9.950) 11.180 1.970 ( 0.901 -6.231 2.698) 6.849 1.970 ( 0.901 6.231 2.698) 6.849 2.389 ( -3.757 -5.946 0.429) 7.046 2.389 ( -3.757 5.946 0.429) 7.046 2.661 ( -0.596 -2.688 5.446) 6.102 2.661 ( -0.596 2.688 5.446) 6.102 2.881 ( -2.820 -5.999 4.867) 8.224 2.881 ( -2.820 5.999 4.867) 8.224 3.138 ( 4.032 -10.482 3.194) 11.676 3.138 ( 4.032 10.482 3.194) 11.676 3.487 ( 0.808 -8.875 11.859) 14.834 3.487 ( 0.808 8.875 11.859) 14.834 3.914 ( 2.244 -2.953 0.850) 3.805 3.914 ( 2.244 2.953 0.850) 3.805 4.259 ( -4.865 -7.346 5.132) 10.197 4.259 ( -4.865 7.346 5.132) 10.197 4.797 ( -7.112 -12.085 6.482) 15.448 4.797 ( -7.112 12.085 6.482) 15.448 4.862 ( -3.608 -1.110 7.423) 8.328 4.862 ( -3.608 1.110 7.423) 8.328 5.330 ( 1.001 -5.531 -6.679) 8.729 5.330 ( 1.001 5.531 -6.679) 8.729 5.764 ( 1.266 -10.769 -3.361) 11.352 5.764 ( 1.266 10.769 -3.361) 11.352 6.061 ( 0.325 -18.434 -2.732) 18.639 6.061 ( 0.325 18.434 -2.732) 18.639 6.354 ( 1.969 -8.647 -5.915) 10.660 6.354 ( 1.969 8.647 -5.915) 10.660 6.890 ( 4.071 -5.155 -2.262) 6.947 6.890 ( 4.071 5.155 -2.262) 6.947 7.337 ( -2.720 -2.290 5.554) 6.595 7.337 ( -2.720 2.290 5.554) 6.595 7.466 ( -3.337 -1.360 8.423) 9.161 7.466 ( -3.337 1.360 8.423) 9.161 7.798 ( -1.025 -9.527 0.775) 9.613 7.798 ( -1.025 9.527 0.775) 9.613 8.200 ( -0.647 -8.353 1.522) 8.515 8.200 ( -0.647 8.353 1.522) 8.515 8.429 ( 0.500 -6.677 -4.117) 7.860 8.429 ( 0.500 6.677 -4.117) 7.860 8.697 ( 1.568 -6.187 -6.026) 8.778 8.697 ( 1.568 6.187 -6.026) 8.778 9.382 ( -2.286 -12.196 7.581) 14.541 9.382 ( -2.286 12.196 7.581) 14.541 9.637 ( -4.570 -4.856 9.903) 11.939 9.637 ( -4.570 4.856 9.903) 11.939 10.896 ( -0.584 -12.866 -0.425) 12.886 10.896 ( -0.584 12.866 -0.425) 12.886 11.595 ( 0.243 -3.463 0.715) 3.544 11.595 ( 0.243 3.463 0.715) 3.544 11.865 ( 1.979 -0.884 -6.287) 6.650 11.865 ( 1.979 0.884 -6.287) 6.650 12.563 ( 1.842 -1.438 -4.844) 5.378 12.563 ( 1.842 1.438 -4.844) 5.378 12.613 ( 2.340 -1.268 -4.620) 5.332 12.613 ( 2.340 1.268 -4.620) 5.332 16.000 ( 0.158 -1.502 0.084) 1.512 16.000 ( 0.158 1.502 0.084) 1.512 18.055 ( -0.739 -5.208 -0.285) 5.268 18.055 ( -0.739 5.208 -0.285) 5.268 18.871 ( -0.255 -1.577 -2.073) 2.617 18.871 ( -0.255 1.577 -2.073) 2.617 19.154 ( -2.937 -4.678 6.182) 8.290 19.154 ( -2.937 4.678 6.182) 8.290 19.449 ( 1.445 -2.284 -2.237) 3.508 19.449 ( 1.445 2.284 -2.237) 3.508 19.814 ( 0.921 -0.665 -2.232) 2.505 19.814 ( 0.921 0.665 -2.232) 2.505 20.092 ( 0.825 -0.758 3.220) 3.409 20.092 ( 0.825 0.758 3.220) 3.409 20.688 ( -0.325 -3.408 4.234) 5.445 20.688 ( -0.325 3.408 4.234) 5.445 21.179 ( 0.314 -7.524 0.927) 7.588 21.179 ( 0.314 7.524 0.927) 7.588 22.101 ( 3.174 -3.267 -6.572) 7.996 22.101 ( 3.174 3.267 -6.572) 7.996 22.593 ( 0.371 -5.468 1.767) 5.758 22.593 ( 0.371 5.468 1.767) 5.758 23.152 ( 5.491 -3.951 -12.956) 14.616 23.152 ( 5.491 3.951 -12.956) 14.616 ======================= Grid point 111 (61/111) ======================= q-point: (-0.38 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -8.771 -7.904 2.100) 11.992 1.581 ( -8.771 7.904 2.100) 11.992 1.791 ( -9.758 -6.857 8.517) 14.655 1.791 ( -9.758 6.857 8.517) 14.655 2.010 ( -0.501 -9.194 1.897) 9.401 2.010 ( -0.501 9.194 1.897) 9.401 2.375 ( 0.898 -7.198 2.885) 7.807 2.375 ( 0.898 7.198 2.885) 7.807 2.711 ( 0.463 -2.610 7.506) 7.961 2.711 ( 0.463 2.610 7.506) 7.961 2.867 ( -2.615 -3.412 4.637) 6.323 2.867 ( -2.615 3.412 4.637) 6.323 3.244 ( 4.379 -9.341 2.583) 10.635 3.244 ( 4.379 9.341 2.583) 10.635 3.578 ( 0.053 -12.478 9.579) 15.731 3.578 ( 0.053 12.478 9.579) 15.731 3.926 ( -1.605 -3.650 1.377) 4.219 3.926 ( -1.605 3.650 1.377) 4.219 4.140 ( -9.468 -9.340 5.224) 14.289 4.140 ( -9.468 9.340 5.224) 14.289 4.709 ( -5.440 -10.915 5.806) 13.508 4.709 ( -5.440 10.915 5.806) 13.508 4.878 ( -1.829 -6.834 8.632) 11.161 4.878 ( -1.829 6.834 8.632) 11.161 5.297 ( 0.873 -7.486 -7.659) 10.745 5.297 ( 0.873 7.486 -7.659) 10.745 5.770 ( 1.707 -9.833 -2.902) 10.393 5.770 ( 1.707 9.833 -2.902) 10.393 6.057 ( 1.184 -17.969 -2.566) 18.190 6.057 ( 1.184 17.969 -2.566) 18.190 6.354 ( 2.348 -8.501 -6.064) 10.703 6.354 ( 2.348 8.501 -6.064) 10.703 6.933 ( 1.835 -4.938 -2.235) 5.723 6.933 ( 1.835 4.938 -2.235) 5.723 7.312 ( -3.448 -2.265 4.644) 6.212 7.312 ( -3.448 2.265 4.644) 6.212 7.444 ( -4.972 -0.914 8.541) 9.925 7.444 ( -4.972 0.914 8.541) 9.925 7.790 ( -0.809 -10.062 1.810) 10.255 7.790 ( -0.809 10.062 1.810) 10.255 8.198 ( -0.491 -8.809 0.844) 8.863 8.198 ( -0.491 8.809 0.844) 8.863 8.417 ( 0.997 -7.107 -3.288) 7.894 8.417 ( 0.997 7.107 -3.288) 7.894 8.687 ( 1.888 -6.147 -6.075) 8.846 8.687 ( 1.888 6.147 -6.075) 8.846 9.388 ( -2.558 -10.796 7.245) 13.251 9.388 ( -2.558 10.796 7.245) 13.251 9.611 ( -5.294 -4.984 10.234) 12.554 9.611 ( -5.294 4.984 10.234) 12.554 10.887 ( 0.076 -13.292 -0.659) 13.308 10.887 ( 0.076 13.292 -0.659) 13.308 11.615 ( 1.055 -3.280 1.021) 3.593 11.615 ( 1.055 3.280 1.021) 3.593 11.877 ( 3.759 -1.289 -6.215) 7.376 11.877 ( 3.759 1.289 -6.215) 7.376 12.569 ( 2.325 -1.304 -4.880) 5.560 12.569 ( 2.325 1.304 -4.880) 5.560 12.631 ( 3.002 -1.094 -4.922) 5.868 12.631 ( 3.002 1.094 -4.922) 5.868 15.999 ( -0.287 -1.301 0.100) 1.336 15.999 ( -0.287 1.301 0.100) 1.336 18.065 ( 2.091 -5.833 -0.716) 6.238 18.065 ( 2.091 5.833 -0.716) 6.238 18.839 ( -1.438 -1.367 -2.120) 2.904 18.839 ( -1.438 1.367 -2.120) 2.904 19.154 ( -1.354 -3.711 6.050) 7.226 19.154 ( -1.354 3.711 6.050) 7.226 19.454 ( 0.658 -2.508 -1.865) 3.194 19.454 ( 0.658 2.508 -1.865) 3.194 19.838 ( 3.066 -0.348 -1.965) 3.658 19.838 ( 3.066 0.348 -1.965) 3.658 20.148 ( 2.401 -0.710 3.206) 4.068 20.148 ( 2.401 0.710 3.206) 4.068 20.685 ( -3.175 -2.938 4.430) 6.192 20.685 ( -3.175 2.938 4.430) 6.192 21.190 ( 0.188 -7.593 0.558) 7.615 21.190 ( 0.188 7.593 0.558) 7.615 22.132 ( 4.972 -2.966 -7.418) 9.409 22.132 ( 4.972 2.966 -7.418) 9.409 22.626 ( 1.768 -5.418 1.647) 5.932 22.626 ( 1.768 5.418 1.647) 5.932 23.151 ( 3.619 -5.026 -12.472) 13.925 23.151 ( 3.619 5.026 -12.472) 13.925 ======================= Grid point 113 (62/111) ======================= q-point: (-0.25 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -13.167 -4.547 4.902) 14.768 1.378 ( -13.167 4.547 4.902) 14.768 1.660 ( -10.869 -8.800 11.661) 18.209 1.660 ( -10.869 8.800 11.661) 18.209 1.992 ( 0.059 -5.224 -3.335) 6.198 1.992 ( 0.059 5.224 -3.335) 6.198 2.404 ( -1.056 -10.492 0.855) 10.579 2.404 ( -1.056 10.492 0.855) 10.579 2.720 ( -7.060 -7.027 12.182) 15.736 2.720 ( -7.060 7.027 12.182) 15.736 2.883 ( 1.926 -6.928 4.434) 8.448 2.883 ( 1.926 6.928 4.434) 8.448 3.309 ( -0.088 -4.984 1.232) 5.135 3.309 ( -0.088 4.984 1.232) 5.135 3.608 ( -2.915 -12.810 6.906) 14.842 3.608 ( -2.915 12.810 6.906) 14.842 3.872 ( -4.846 -7.033 -0.089) 8.541 3.872 ( -4.846 7.033 -0.089) 8.541 4.058 ( -1.889 -2.745 7.358) 8.077 4.058 ( -1.889 2.745 7.358) 8.077 4.661 ( -3.051 -10.967 3.308) 11.854 4.661 ( -3.051 10.967 3.308) 11.854 4.906 ( -2.405 -10.116 10.822) 15.008 4.906 ( -2.405 10.116 10.822) 15.008 5.261 ( 1.149 -7.279 -7.375) 10.426 5.261 ( 1.149 7.279 -7.375) 10.426 5.788 ( 1.966 -7.948 -2.126) 8.459 5.788 ( 1.966 7.948 -2.126) 8.459 6.070 ( 1.905 -19.370 -2.527) 19.627 6.070 ( 1.905 19.370 -2.527) 19.627 6.357 ( 2.323 -8.278 -6.160) 10.577 6.357 ( 2.323 8.278 -6.160) 10.577 6.928 ( -0.510 -5.075 -2.840) 5.838 6.928 ( -0.510 5.075 -2.840) 5.838 7.275 ( -4.120 -2.157 6.371) 7.888 7.275 ( -4.120 2.157 6.371) 7.888 7.401 ( -5.724 -1.254 9.371) 11.052 7.401 ( -5.724 1.254 9.371) 11.052 7.788 ( -0.416 -10.165 0.829) 10.207 7.788 ( -0.416 10.165 0.829) 10.207 8.193 ( -0.456 -8.701 0.395) 8.721 8.193 ( -0.456 8.701 0.395) 8.721 8.422 ( 1.503 -7.042 -2.049) 7.487 8.422 ( 1.503 7.042 -2.049) 7.487 8.685 ( 2.325 -6.060 -5.937) 8.796 8.685 ( 2.325 6.060 -5.937) 8.796 9.383 ( -2.962 -8.209 6.539) 10.905 9.383 ( -2.962 8.209 6.539) 10.905 9.585 ( -5.006 -6.120 11.095) 13.624 9.585 ( -5.006 6.120 11.095) 13.624 10.892 ( 0.986 -13.727 -0.839) 13.788 10.892 ( 0.986 13.727 -0.839) 13.788 11.645 ( 1.006 -2.989 1.310) 3.415 11.645 ( 1.006 2.989 1.310) 3.415 11.916 ( 4.445 -1.490 -5.880) 7.520 11.916 ( 4.445 1.490 -5.880) 7.520 12.582 ( 2.623 -1.326 -5.303) 6.063 12.582 ( 2.623 1.326 -5.303) 6.063 12.656 ( 3.198 -1.058 -5.521) 6.468 12.656 ( 3.198 1.058 -5.521) 6.468 15.991 ( -0.528 -1.131 0.080) 1.250 15.991 ( -0.528 1.131 0.080) 1.250 18.118 ( 3.935 -7.357 -1.556) 8.487 18.118 ( 3.935 7.357 -1.556) 8.487 18.794 ( -1.295 -1.933 -2.401) 3.343 18.794 ( -1.295 1.933 -2.401) 3.343 19.189 ( 0.660 -2.225 5.541) 6.008 19.189 ( 0.660 2.225 5.541) 6.008 19.453 ( 0.645 -2.727 -1.846) 3.356 19.453 ( 0.645 2.727 -1.846) 3.356 19.904 ( 4.628 -0.781 -0.973) 4.793 19.904 ( 4.628 0.781 -0.973) 4.793 20.221 ( 2.535 -2.010 2.924) 4.361 20.221 ( 2.535 2.010 2.924) 4.361 20.632 ( -5.308 -2.720 4.313) 7.360 20.632 ( -5.308 2.720 4.313) 7.360 21.193 ( 0.130 -7.169 -0.472) 7.186 21.193 ( 0.130 7.169 -0.472) 7.186 22.180 ( 5.798 -2.085 -9.067) 10.962 22.180 ( 5.798 2.085 -9.067) 10.962 22.679 ( 2.708 -4.972 0.414) 5.677 22.679 ( 2.708 4.972 0.414) 5.677 23.111 ( 0.938 -5.743 -11.578) 12.957 23.111 ( 0.938 5.743 -11.578) 12.957 ======================= Grid point 115 (63/111) ======================= q-point: (-0.12 -0.50 0.22) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -8.565 -7.082 9.283) 14.480 1.204 ( -8.565 7.082 9.283) 14.480 1.539 ( -9.322 -9.669 10.414) 16.996 1.539 ( -9.322 9.669 10.414) 16.996 1.980 ( 0.612 -3.174 -1.394) 3.520 1.980 ( 0.612 3.174 -1.394) 3.520 2.335 ( -5.165 -15.478 1.281) 16.367 2.335 ( -5.165 15.478 1.281) 16.367 2.654 ( -7.842 -9.880 11.479) 17.055 2.654 ( -7.842 9.880 11.479) 17.055 2.970 ( 2.114 -7.351 4.293) 8.771 2.970 ( 2.114 7.351 4.293) 8.771 3.264 ( -4.135 -4.890 1.423) 6.561 3.264 ( -4.135 4.890 1.423) 6.561 3.588 ( -3.259 -13.166 6.251) 14.935 3.588 ( -3.259 13.166 6.251) 14.935 3.756 ( -4.967 -2.560 -2.881) 6.287 3.756 ( -4.967 2.560 -2.881) 6.287 4.129 ( 1.823 -3.237 6.566) 7.544 4.129 ( 1.823 3.237 6.566) 7.544 4.647 ( 0.676 -10.626 0.460) 10.658 4.647 ( 0.676 10.626 0.460) 10.658 4.928 ( -4.300 -12.849 12.880) 18.694 4.928 ( -4.300 12.849 12.880) 18.694 5.247 ( 2.177 -4.979 -5.058) 7.423 5.247 ( 2.177 4.979 -5.058) 7.423 5.814 ( 1.826 -7.184 -1.081) 7.491 5.814 ( 1.826 7.184 -1.081) 7.491 6.091 ( 2.146 -21.650 -2.703) 21.923 6.091 ( 2.146 21.650 -2.703) 21.923 6.355 ( 1.927 -8.355 -5.963) 10.444 6.355 ( 1.927 8.355 -5.963) 10.444 6.877 ( -2.224 -5.419 -3.461) 6.804 6.877 ( -2.224 5.419 -3.461) 6.804 7.247 ( -4.233 -2.302 8.955) 10.169 7.247 ( -4.233 2.302 8.955) 10.169 7.370 ( -4.459 -2.407 10.588) 11.738 7.370 ( -4.459 2.407 10.588) 11.738 7.787 ( 0.517 -9.441 -1.016) 9.510 7.787 ( 0.517 9.441 -1.016) 9.510 8.188 ( -0.295 -8.236 0.502) 8.257 8.188 ( -0.295 8.236 0.502) 8.257 8.448 ( 2.315 -6.611 -1.235) 7.112 8.448 ( 2.315 6.611 -1.235) 7.112 8.692 ( 2.559 -5.919 -5.639) 8.566 8.692 ( 2.559 5.919 -5.639) 8.566 9.368 ( -3.036 -6.509 6.134) 9.445 9.368 ( -3.036 6.509 6.134) 9.445 9.576 ( -4.246 -7.704 11.860) 14.766 9.576 ( -4.246 7.704 11.860) 14.766 10.908 ( 1.229 -13.846 -1.062) 13.941 10.908 ( 1.229 13.846 -1.062) 13.941 11.667 ( 0.129 -2.746 1.402) 3.086 11.667 ( 0.129 2.746 1.402) 3.086 11.958 ( 3.722 -1.424 -5.439) 6.743 11.958 ( 3.722 1.424 -5.439) 6.743 12.592 ( 2.447 -1.380 -5.810) 6.454 12.592 ( 2.447 1.380 -5.810) 6.454 12.673 ( 2.752 -1.017 -6.210) 6.869 12.673 ( 2.752 1.017 -6.210) 6.869 15.981 ( -0.462 -1.090 0.003) 1.184 15.981 ( -0.462 1.090 0.003) 1.184 18.184 ( 3.861 -9.074 -2.106) 10.084 18.184 ( 3.861 9.074 -2.106) 10.084 18.764 ( 0.340 -2.280 -2.912) 3.714 18.764 ( 0.340 2.280 -2.912) 3.714 19.248 ( 1.764 -0.895 3.273) 3.825 19.248 ( 1.764 0.895 3.273) 3.825 19.453 ( 0.640 -2.891 -2.029) 3.589 19.453 ( 0.640 2.891 -2.029) 3.589 19.992 ( 4.303 -1.698 0.194) 4.630 19.992 ( 4.303 1.698 0.194) 4.630 20.263 ( -0.826 -2.863 1.992) 3.584 20.263 ( -0.826 2.863 1.992) 3.584 20.551 ( -5.566 -2.292 3.731) 7.082 20.551 ( -5.566 2.292 3.731) 7.082 21.187 ( 0.031 -6.183 -1.721) 6.418 21.187 ( 0.031 6.183 -1.721) 6.418 22.221 ( 5.426 -1.667 -10.849) 12.244 22.221 ( 5.426 1.667 -10.849) 12.244 22.728 ( 2.649 -3.956 -1.963) 5.150 22.728 ( 2.649 3.956 -1.963) 5.150 23.027 ( -1.454 -4.676 -9.474) 10.664 23.027 ( -1.454 4.676 -9.474) 10.664 ======================= Grid point 125 (64/111) ======================= q-point: ( 0.00 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 6.182 0.000 13.810) 15.131 1.349 ( -7.341 0.000 0.011) 7.341 1.655 ( -5.993 0.000 19.872) 20.756 1.893 ( 1.440 0.000 12.293) 12.377 2.013 ( 2.644 0.000 4.251) 5.006 2.148 ( -7.518 0.000 4.593) 8.810 2.272 ( 1.420 0.000 5.400) 5.583 2.408 ( 1.540 0.000 -0.544) 1.634 2.607 ( -2.573 0.000 -1.412) 2.935 2.724 ( -3.983 0.000 0.606) 4.029 2.896 ( -7.016 0.000 1.377) 7.150 3.100 ( -5.809 0.000 4.552) 7.380 3.190 ( -6.471 0.000 -2.142) 6.816 3.265 ( 6.842 0.000 -2.046) 7.141 3.310 ( -1.455 0.000 -3.017) 3.350 3.539 ( 5.064 0.000 -4.472) 6.756 3.668 ( -2.142 0.000 -5.530) 5.930 3.829 ( 2.883 0.000 -9.749) 10.166 4.241 ( -3.563 0.000 11.972) 12.491 4.527 ( -0.159 0.000 3.872) 3.876 4.767 ( -4.767 0.000 15.675) 16.384 4.809 ( 7.568 0.000 2.474) 7.962 4.892 ( -3.297 0.000 1.642) 3.683 5.163 ( -0.517 0.000 1.567) 1.650 5.282 ( 0.505 0.000 1.440) 1.526 5.440 ( -3.689 0.000 6.360) 7.352 5.486 ( -2.714 0.000 4.140) 4.951 5.632 ( -1.923 0.000 10.240) 10.419 5.994 ( 3.858 0.000 -4.807) 6.164 6.195 ( 0.208 0.000 -1.689) 1.702 6.337 ( 3.398 0.000 -5.327) 6.319 6.636 ( -1.553 0.000 -4.132) 4.414 6.674 ( 3.554 0.000 -6.006) 6.978 6.939 ( 3.448 0.000 -12.217) 12.695 7.026 ( 0.127 0.000 -0.386) 0.406 7.187 ( 1.712 0.000 -2.459) 2.996 7.554 ( -0.208 0.000 2.627) 2.635 7.655 ( -3.657 0.000 7.481) 8.327 7.816 ( -5.272 0.000 17.315) 18.099 7.916 ( 1.048 0.000 -3.403) 3.561 8.064 ( 0.533 0.000 -2.160) 2.225 8.232 ( 1.733 0.000 -5.208) 5.489 8.463 ( -2.143 0.000 8.115) 8.393 8.558 ( -3.599 0.000 12.442) 12.952 8.600 ( 3.823 0.000 -7.717) 8.612 8.917 ( -7.100 0.000 21.830) 22.956 9.303 ( 1.579 0.000 -1.556) 2.217 9.368 ( -5.211 0.000 12.317) 13.374 9.735 ( 0.336 0.000 0.870) 0.933 10.310 ( -5.055 0.000 12.894) 13.849 10.420 ( 2.990 0.000 -4.033) 5.020 11.108 ( 2.493 0.000 -6.484) 6.947 11.647 ( -1.730 0.000 1.664) 2.400 11.756 ( -1.354 0.000 0.942) 1.650 11.806 ( 3.720 0.000 -6.824) 7.772 11.900 ( 2.572 0.000 -5.447) 6.024 12.453 ( 2.330 0.000 -7.343) 7.704 12.471 ( 1.291 0.000 -5.044) 5.207 12.506 ( 1.940 0.000 -5.634) 5.958 12.577 ( 1.700 0.000 -5.525) 5.780 15.952 ( -0.610 0.000 0.436) 0.750 15.992 ( 0.263 0.000 -0.661) 0.711 18.039 ( -0.155 0.000 4.757) 4.759 18.416 ( 2.470 0.000 -7.077) 7.495 18.608 ( 0.315 0.000 0.752) 0.816 18.749 ( 2.048 0.000 -3.116) 3.729 19.264 ( -0.654 0.000 1.387) 1.533 19.293 ( -0.331 0.000 -0.359) 0.488 19.394 ( 0.831 0.000 2.008) 2.173 19.467 ( -0.655 0.000 -1.258) 1.418 20.025 ( 1.495 0.000 0.587) 1.606 20.090 ( -0.562 0.000 -2.660) 2.718 20.250 ( -6.609 0.000 2.693) 7.137 20.269 ( -1.677 0.000 3.036) 3.469 20.512 ( -4.011 0.000 5.176) 6.548 20.605 ( -2.603 0.000 3.373) 4.261 21.055 ( -0.652 0.000 2.666) 2.744 21.250 ( -0.328 0.000 -0.301) 0.445 21.865 ( 6.021 0.000 -19.145) 20.069 22.018 ( 9.067 0.000 -21.609) 23.434 22.619 ( 0.330 0.000 0.894) 0.953 22.733 ( 0.024 0.000 -4.925) 4.925 22.795 ( -1.343 0.000 0.772) 1.549 22.889 ( -0.513 0.000 -4.254) 4.285 ======================= Grid point 126 (65/111) ======================= q-point: ( 0.12 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 1.107 0.000 3.485) 3.657 1.558 ( 12.240 0.000 9.187) 15.304 1.732 ( -0.480 0.000 18.180) 18.187 1.917 ( -5.315 0.000 3.707) 6.480 2.050 ( -1.714 0.000 2.255) 2.832 2.065 ( -3.117 0.000 2.761) 4.164 2.381 ( 4.181 0.000 6.807) 7.989 2.406 ( -0.906 0.000 -0.529) 1.049 2.587 ( -0.481 0.000 2.320) 2.369 2.645 ( -0.733 0.000 -1.848) 1.988 2.855 ( -0.362 0.000 3.884) 3.901 2.998 ( -7.612 0.000 5.095) 9.160 3.090 ( -3.148 0.000 1.570) 3.518 3.203 ( -2.189 0.000 -2.636) 3.426 3.494 ( 10.078 0.000 5.156) 11.321 3.590 ( 4.073 0.000 -7.213) 8.283 3.611 ( -0.392 0.000 -2.510) 2.540 3.859 ( 6.846 0.000 -8.877) 11.210 4.206 ( -8.813 0.000 12.971) 15.682 4.543 ( -0.235 0.000 -0.191) 0.303 4.790 ( -5.184 0.000 18.264) 18.986 4.855 ( -0.511 0.000 -1.914) 1.981 4.935 ( 5.212 0.000 -2.638) 5.841 5.163 ( -1.029 0.000 2.745) 2.931 5.351 ( 4.498 0.000 3.038) 5.428 5.415 ( -3.081 0.000 5.820) 6.586 5.469 ( -1.870 0.000 3.242) 3.742 5.655 ( -3.533 0.000 10.781) 11.345 5.992 ( -0.324 0.000 -4.582) 4.593 6.181 ( 0.186 0.000 -3.041) 3.047 6.357 ( 2.303 0.000 -4.903) 5.417 6.594 ( 0.488 0.000 -4.006) 4.036 6.685 ( 2.035 0.000 -5.963) 6.301 6.919 ( 2.664 0.000 -9.921) 10.272 7.040 ( 2.418 0.000 -3.299) 4.090 7.207 ( 2.032 0.000 -2.518) 3.236 7.570 ( -0.117 0.000 2.386) 2.389 7.647 ( -2.690 0.000 8.311) 8.735 7.848 ( -3.996 0.000 16.396) 16.876 7.925 ( 2.465 0.000 -4.185) 4.857 8.055 ( 0.297 0.000 -2.680) 2.696 8.228 ( 1.531 0.000 -4.771) 5.011 8.476 ( -1.575 0.000 5.362) 5.588 8.570 ( -5.011 0.000 14.288) 15.142 8.618 ( 3.756 0.000 -8.123) 8.950 8.911 ( -8.998 0.000 21.018) 22.863 9.329 ( 2.324 0.000 -2.176) 3.183 9.348 ( -5.863 0.000 12.656) 13.948 9.756 ( 1.126 0.000 0.740) 1.348 10.301 ( -5.275 0.000 13.073) 14.097 10.448 ( 2.863 0.000 -4.366) 5.221 11.107 ( 2.128 0.000 -6.344) 6.692 11.612 ( -2.669 0.000 1.148) 2.905 11.730 ( -1.802 0.000 0.588) 1.896 11.808 ( 1.371 0.000 -6.423) 6.568 11.891 ( 0.407 0.000 -5.147) 5.163 12.446 ( 2.150 0.000 -6.849) 7.178 12.459 ( 1.078 0.000 -4.718) 4.840 12.503 ( 1.866 0.000 -5.518) 5.825 12.567 ( 1.281 0.000 -5.311) 5.464 15.948 ( -0.131 0.000 0.548) 0.563 15.997 ( 0.713 0.000 -0.544) 0.897 18.057 ( -1.530 0.000 4.501) 4.754 18.371 ( -1.612 0.000 -7.166) 7.345 18.640 ( 2.393 0.000 0.357) 2.419 18.778 ( 3.297 0.000 -3.618) 4.894 19.269 ( -0.611 0.000 3.352) 3.407 19.296 ( 0.907 0.000 -0.310) 0.959 19.408 ( -1.041 0.000 2.285) 2.511 19.443 ( -0.592 0.000 -1.616) 1.721 19.970 ( -7.459 0.000 -2.159) 7.766 20.026 ( -1.689 0.000 0.154) 1.696 20.173 ( -4.747 0.000 4.906) 6.826 20.232 ( -4.090 0.000 3.015) 5.081 20.508 ( -0.362 0.000 5.720) 5.731 20.633 ( 2.358 0.000 3.662) 4.355 21.059 ( -1.237 0.000 3.661) 3.864 21.262 ( 1.275 0.000 0.714) 1.461 21.842 ( 5.058 0.000 -17.631) 18.342 22.024 ( 7.016 0.000 -20.927) 22.072 22.612 ( -1.765 0.000 1.379) 2.239 22.709 ( 1.678 0.000 -5.982) 6.213 22.785 ( -0.695 0.000 1.982) 2.100 22.883 ( 2.996 0.000 -4.916) 5.757 ======================= Grid point 127 (66/111) ======================= q-point: ( 0.25 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 9.914 0.000 7.044) 12.162 1.701 ( -6.975 0.000 8.509) 11.003 1.867 ( 2.748 0.000 10.902) 11.243 1.889 ( 7.018 0.000 -6.675) 9.685 2.016 ( -2.216 0.000 4.744) 5.236 2.050 ( -1.061 0.000 4.385) 4.512 2.381 ( -1.176 0.000 -0.716) 1.377 2.477 ( 3.277 0.000 -0.716) 3.354 2.592 ( -2.359 0.000 5.822) 6.282 2.720 ( 7.940 0.000 1.774) 8.135 2.872 ( -1.837 0.000 3.407) 3.871 2.911 ( -5.324 0.000 7.391) 9.109 3.048 ( -5.030 0.000 5.238) 7.262 3.221 ( 2.797 0.000 5.007) 5.735 3.583 ( -0.701 0.000 5.357) 5.403 3.603 ( 3.248 0.000 -7.864) 8.508 3.757 ( 12.220 0.000 0.404) 12.227 3.947 ( 7.309 0.000 -7.514) 10.482 4.106 ( -10.317 0.000 13.527) 17.012 4.494 ( -3.585 0.000 -3.267) 4.851 4.823 ( -4.823 0.000 17.997) 18.632 4.847 ( 1.974 0.000 -4.175) 4.618 4.975 ( 2.146 0.000 -5.996) 6.369 5.159 ( -1.989 0.000 3.662) 4.167 5.406 ( -2.861 0.000 7.540) 8.065 5.457 ( -1.781 0.000 5.944) 6.205 5.475 ( 5.997 0.000 -1.090) 6.095 5.641 ( -5.297 0.000 9.151) 10.574 5.941 ( -1.543 0.000 -2.992) 3.367 6.163 ( 0.861 0.000 -4.496) 4.577 6.355 ( 1.068 0.000 -4.581) 4.703 6.606 ( 3.724 0.000 -4.170) 5.591 6.668 ( 0.362 0.000 -5.623) 5.635 6.907 ( 3.408 0.000 -9.520) 10.112 7.063 ( 2.607 0.000 -4.577) 5.267 7.226 ( 1.778 0.000 -2.893) 3.396 7.579 ( -0.583 0.000 2.098) 2.178 7.666 ( -1.427 0.000 7.534) 7.668 7.883 ( -3.669 0.000 13.926) 14.401 7.947 ( 2.325 0.000 -2.753) 3.603 8.043 ( 0.678 0.000 -2.982) 3.058 8.225 ( 1.598 0.000 -4.705) 4.969 8.476 ( -1.706 0.000 3.885) 4.243 8.563 ( -6.633 0.000 15.781) 17.118 8.628 ( 3.178 0.000 -8.377) 8.959 8.875 ( -9.919 0.000 21.420) 23.605 9.323 ( -5.940 0.000 13.096) 14.380 9.357 ( 2.308 0.000 -3.055) 3.829 9.783 ( 1.256 0.000 0.142) 1.264 10.291 ( -5.168 0.000 12.888) 13.886 10.464 ( 1.927 0.000 -4.545) 4.937 11.102 ( 1.943 0.000 -6.166) 6.465 11.568 ( -2.350 0.000 0.757) 2.469 11.701 ( -1.367 0.000 0.261) 1.391 11.772 ( -0.217 0.000 -6.576) 6.580 11.847 ( -1.033 0.000 -5.020) 5.125 12.441 ( 2.157 0.000 -6.167) 6.533 12.448 ( 1.205 0.000 -4.401) 4.563 12.501 ( 1.791 0.000 -5.060) 5.368 12.555 ( 1.223 0.000 -4.907) 5.057 15.954 ( 0.301 0.000 0.675) 0.739 16.010 ( 0.904 0.000 -0.446) 1.008 18.043 ( -2.852 0.000 3.859) 4.798 18.271 ( -3.523 0.000 -5.476) 6.512 18.695 ( 2.932 0.000 -0.330) 2.950 18.816 ( 2.997 0.000 -3.714) 4.773 19.281 ( -1.767 0.000 6.081) 6.332 19.322 ( 1.782 0.000 0.032) 1.782 19.390 ( -2.296 0.000 2.690) 3.537 19.427 ( 0.195 0.000 -1.569) 1.581 19.836 ( -4.256 0.000 -2.346) 4.859 19.967 ( -3.588 0.000 -1.451) 3.870 20.121 ( -3.729 0.000 4.440) 5.799 20.170 ( -3.925 0.000 2.583) 4.699 20.568 ( 1.655 0.000 6.625) 6.829 20.725 ( 3.802 0.000 4.032) 5.542 21.058 ( -2.017 0.000 5.012) 5.402 21.301 ( 1.604 0.000 1.602) 2.267 21.817 ( 4.767 0.000 -16.000) 16.695 22.001 ( 5.139 0.000 -18.082) 18.798 22.581 ( -2.623 0.000 2.670) 3.743 22.715 ( 3.997 0.000 -8.027) 8.967 22.790 ( -0.628 0.000 2.498) 2.576 22.923 ( 4.907 0.000 -6.407) 8.070 ======================= Grid point 128 (67/111) ======================= q-point: ( 0.38 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -6.133 0.000 6.355) 8.832 1.689 ( 7.741 0.000 4.270) 8.840 1.950 ( 1.947 0.000 -1.447) 2.426 1.993 ( 5.966 0.000 8.135) 10.088 2.073 ( -0.270 0.000 2.359) 2.374 2.081 ( 3.559 0.000 5.331) 6.410 2.336 ( -3.911 0.000 -0.373) 3.929 2.509 ( 2.486 0.000 -5.224) 5.785 2.601 ( -1.262 0.000 10.938) 11.011 2.851 ( -0.991 0.000 3.875) 4.000 2.902 ( -1.735 0.000 8.665) 8.837 2.939 ( 10.322 0.000 3.758) 10.985 2.955 ( -8.666 0.000 8.264) 11.974 3.268 ( -3.356 0.000 4.713) 5.785 3.603 ( 1.356 0.000 -6.649) 6.785 3.674 ( 5.233 0.000 6.641) 8.455 3.961 ( 8.624 0.000 -4.020) 9.515 3.974 ( -3.191 0.000 2.274) 3.918 4.057 ( -0.277 0.000 3.698) 3.708 4.382 ( -5.107 0.000 -0.746) 5.161 4.848 ( -4.485 0.000 14.533) 15.209 4.880 ( 4.101 0.000 -3.197) 5.200 4.929 ( -2.863 0.000 -5.596) 6.286 5.140 ( -1.709 0.000 2.579) 3.094 5.405 ( -3.675 0.000 9.746) 10.416 5.458 ( -0.424 0.000 1.240) 1.310 5.572 ( 3.001 0.000 1.499) 3.355 5.587 ( -5.734 0.000 7.290) 9.275 5.898 ( -1.341 0.000 -1.581) 2.073 6.152 ( 1.303 0.000 -4.766) 4.941 6.341 ( 1.023 0.000 -4.500) 4.615 6.619 ( -1.435 0.000 -5.178) 5.373 6.670 ( 5.583 0.000 -4.624) 7.249 6.922 ( 5.488 0.000 -10.505) 11.853 7.073 ( 1.656 0.000 -4.055) 4.380 7.232 ( 1.052 0.000 -3.365) 3.526 7.578 ( -0.919 0.000 1.847) 2.063 7.685 ( -1.618 0.000 5.546) 5.778 7.899 ( -3.995 0.000 11.853) 12.509 7.973 ( 1.391 0.000 -0.582) 1.508 8.041 ( 1.389 0.000 -3.187) 3.477 8.223 ( 1.775 0.000 -4.963) 5.270 8.467 ( -2.765 0.000 5.920) 6.534 8.540 ( -6.623 0.000 14.555) 15.991 8.623 ( 2.437 0.000 -8.373) 8.721 8.841 ( -9.373 0.000 22.612) 24.478 9.309 ( -5.136 0.000 13.424) 14.373 9.371 ( 1.571 0.000 -3.688) 4.009 9.802 ( 0.707 0.000 -0.497) 0.864 10.283 ( -4.942 0.000 12.689) 13.617 10.458 ( 0.723 0.000 -4.501) 4.559 11.094 ( 1.669 0.000 -5.983) 6.212 11.540 ( -0.936 0.000 0.741) 1.194 11.685 ( -0.273 0.000 0.166) 0.319 11.716 ( -0.217 0.000 -7.228) 7.231 11.792 ( -0.567 0.000 -5.023) 5.055 12.442 ( 2.260 0.000 -5.764) 6.191 12.444 ( 1.559 0.000 -4.248) 4.525 12.502 ( 1.774 0.000 -4.578) 4.909 12.548 ( 1.546 0.000 -4.533) 4.790 15.967 ( 0.412 0.000 0.736) 0.843 16.023 ( 0.658 0.000 -0.462) 0.804 18.008 ( -3.138 0.000 3.243) 4.513 18.178 ( -2.365 0.000 -3.358) 4.107 18.739 ( 1.785 0.000 -0.890) 1.995 18.834 ( 1.380 0.000 -3.310) 3.586 19.279 ( -3.657 0.000 8.236) 9.011 19.358 ( 1.337 0.000 0.805) 1.561 19.365 ( -2.090 0.000 2.323) 3.125 19.430 ( 1.257 0.000 -1.660) 2.083 19.772 ( -0.225 0.000 -3.531) 3.538 19.882 ( -3.155 0.000 -2.931) 4.307 20.102 ( -0.944 0.000 3.416) 3.544 20.125 ( -2.181 0.000 1.819) 2.840 20.653 ( 1.711 0.000 7.171) 7.372 20.822 ( 2.661 0.000 4.440) 5.177 21.052 ( -2.503 0.000 5.782) 6.300 21.338 ( 0.726 0.000 1.996) 2.124 21.804 ( 5.300 0.000 -15.178) 16.077 21.979 ( 5.100 0.000 -15.820) 16.622 22.555 ( -2.301 0.000 3.625) 4.294 22.745 ( 5.047 0.000 -8.990) 10.310 22.793 ( -0.787 0.000 2.555) 2.674 22.974 ( 5.301 0.000 -7.500) 9.184 ======================= Grid point 129 (68/111) ======================= q-point: (-0.50 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -4.672 0.000 7.908) 9.185 1.796 ( 1.890 0.000 4.294) 4.691 1.958 ( -2.335 0.000 2.142) 3.169 2.066 ( -0.656 0.000 2.689) 2.767 2.116 ( 0.353 0.000 0.130) 0.376 2.169 ( -5.245 0.000 5.949) 7.931 2.251 ( 0.973 0.000 -1.492) 1.781 2.503 ( 1.066 0.000 -6.345) 6.434 2.729 ( 4.718 0.000 14.065) 14.835 2.880 ( 0.338 0.000 5.056) 5.067 2.887 ( -4.071 0.000 10.810) 11.552 2.968 ( 1.918 0.000 11.375) 11.536 3.134 ( 2.284 0.000 3.981) 4.590 3.187 ( -3.510 0.000 3.965) 5.295 3.546 ( -1.783 0.000 -6.957) 7.182 3.807 ( 3.727 0.000 1.268) 3.936 3.947 ( -1.945 0.000 5.548) 5.879 3.977 ( -0.687 0.000 -10.145) 10.169 4.066 ( -0.827 0.000 0.323) 0.888 4.359 ( 1.000 0.000 5.527) 5.616 4.789 ( -7.516 0.000 -4.053) 8.539 4.851 ( -5.778 0.000 13.689) 14.859 4.953 ( 5.212 0.000 -2.610) 5.829 5.138 ( -0.205 0.000 1.717) 1.730 5.401 ( -3.876 0.000 10.692) 11.372 5.450 ( -0.543 0.000 -1.123) 1.247 5.539 ( -4.431 0.000 7.518) 8.726 5.610 ( -0.399 0.000 2.410) 2.442 5.859 ( -1.449 0.000 -2.048) 2.509 6.147 ( 1.488 0.000 -4.086) 4.348 6.337 ( 1.934 0.000 -4.882) 5.251 6.549 ( -1.421 0.000 -5.190) 5.381 6.740 ( 4.746 0.000 -5.073) 6.947 6.964 ( 6.737 0.000 -12.256) 13.986 7.073 ( 0.593 0.000 -2.010) 2.095 7.220 ( 0.406 0.000 -3.680) 3.702 7.572 ( -1.030 0.000 1.856) 2.123 7.680 ( -2.357 0.000 4.469) 5.052 7.893 ( -5.638 0.000 12.730) 13.923 7.992 ( 1.261 0.000 -1.150) 1.707 8.048 ( 1.471 0.000 -3.178) 3.502 8.224 ( 2.104 0.000 -5.588) 5.971 8.455 ( -4.509 0.000 10.805) 11.708 8.519 ( -4.696 0.000 10.821) 11.796 8.606 ( 1.947 0.000 -8.016) 8.249 8.832 ( -8.435 0.000 23.446) 24.917 9.315 ( -4.047 0.000 13.568) 14.159 9.365 ( 0.430 0.000 -3.696) 3.721 9.802 ( -0.300 0.000 -0.706) 0.767 10.280 ( -4.633 0.000 12.793) 13.606 10.432 ( 0.028 0.000 -4.302) 4.302 11.083 ( 1.606 0.000 -5.875) 6.091 11.545 ( 0.746 0.000 1.126) 1.351 11.673 ( 1.480 0.000 -7.820) 7.959 11.693 ( 0.873 0.000 0.370) 0.948 11.764 ( 1.628 0.000 -5.437) 5.676 12.447 ( 2.419 0.000 -5.869) 6.348 12.449 ( 2.026 0.000 -4.265) 4.722 12.505 ( 1.751 0.000 -4.363) 4.701 12.551 ( 1.983 0.000 -4.457) 4.878 15.978 ( 0.154 0.000 0.734) 0.750 16.027 ( 0.119 0.000 -0.566) 0.579 17.975 ( -2.387 0.000 2.925) 3.775 18.143 ( 0.744 0.000 -1.838) 1.982 18.747 ( -0.248 0.000 -1.004) 1.034 18.824 ( -0.214 0.000 -2.532) 2.541 19.267 ( -3.292 0.000 8.410) 9.032 19.338 ( -2.403 0.000 2.077) 3.176 19.376 ( -0.356 0.000 1.505) 1.547 19.451 ( 1.961 0.000 -1.618) 2.542 19.772 ( 2.727 0.000 -3.915) 4.771 19.820 ( -0.511 0.000 -3.379) 3.417 20.114 ( 0.026 0.000 1.030) 1.030 20.135 ( 2.161 0.000 2.154) 3.051 20.721 ( -0.317 0.000 7.092) 7.099 20.879 ( -0.307 0.000 4.581) 4.591 21.044 ( -2.485 0.000 5.592) 6.119 21.355 ( -0.287 0.000 1.656) 1.681 21.809 ( 6.384 0.000 -15.283) 16.563 21.977 ( 5.970 0.000 -15.242) 16.369 22.543 ( -1.510 0.000 3.573) 3.879 22.778 ( 4.605 0.000 -8.540) 9.703 22.798 ( -0.483 0.000 2.369) 2.418 23.017 ( 4.790 0.000 -8.262) 9.550 ======================= Grid point 130 (69/111) ======================= q-point: (-0.38 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -7.092 0.000 8.426) 11.014 1.841 ( -1.525 0.000 5.766) 5.965 1.862 ( -8.434 0.000 3.173) 9.011 2.009 ( -11.103 0.000 6.691) 12.964 2.035 ( -8.465 0.000 -0.780) 8.501 2.124 ( 1.950 0.000 6.949) 7.217 2.274 ( 2.196 0.000 -3.367) 4.020 2.463 ( -0.771 0.000 -5.590) 5.643 2.853 ( -1.637 0.000 6.826) 7.019 2.906 ( -2.308 0.000 4.655) 5.195 2.957 ( 2.782 0.000 7.981) 8.452 3.014 ( -8.851 0.000 5.922) 10.649 3.159 ( 7.737 0.000 12.738) 14.904 3.275 ( 2.826 0.000 1.112) 3.036 3.483 ( 0.887 0.000 -5.449) 5.520 3.766 ( -3.251 0.000 -10.618) 11.104 3.925 ( -0.560 0.000 -1.911) 1.991 3.969 ( -0.648 0.000 7.321) 7.349 4.037 ( -1.961 0.000 0.349) 1.992 4.433 ( 1.898 0.000 4.637) 5.011 4.611 ( -7.441 0.000 -2.450) 7.834 4.814 ( -7.349 0.000 12.688) 14.663 5.023 ( 2.009 0.000 0.665) 2.116 5.150 ( -0.089 0.000 1.940) 1.942 5.418 ( -1.155 0.000 -3.424) 3.613 5.419 ( -2.250 0.000 11.363) 11.584 5.523 ( -2.467 0.000 6.927) 7.353 5.598 ( -3.007 0.000 4.262) 5.216 5.820 ( -0.180 0.000 -3.198) 3.203 6.154 ( 1.911 0.000 -3.147) 3.681 6.333 ( 1.220 0.000 -5.947) 6.071 6.518 ( 2.572 0.000 -5.345) 5.932 6.773 ( 2.332 0.000 -5.271) 5.764 6.993 ( 5.521 0.000 -13.893) 14.950 7.071 ( -0.180 0.000 0.342) 0.387 7.200 ( 0.298 0.000 -3.663) 3.675 7.563 ( -1.430 0.000 2.211) 2.633 7.667 ( -2.303 0.000 5.101) 5.597 7.864 ( -6.886 0.000 14.013) 15.614 8.001 ( 0.652 0.000 -2.167) 2.263 8.052 ( 1.161 0.000 -2.659) 2.902 8.226 ( 2.499 0.000 -6.299) 6.776 8.447 ( -4.880 0.000 12.794) 13.693 8.512 ( -3.504 0.000 9.628) 10.246 8.589 ( 1.947 0.000 -7.464) 7.713 8.840 ( -8.011 0.000 23.501) 24.829 9.339 ( -0.483 0.000 -3.062) 3.100 9.339 ( -3.504 0.000 13.447) 13.896 9.782 ( -1.223 0.000 -0.440) 1.300 10.286 ( -4.209 0.000 13.055) 13.717 10.404 ( 0.227 0.000 -4.049) 4.056 11.078 ( 2.236 0.000 -5.971) 6.376 11.580 ( 1.662 0.000 1.675) 2.360 11.669 ( 3.979 0.000 -8.079) 9.006 11.721 ( 1.362 0.000 0.742) 1.551 11.778 ( 3.884 0.000 -5.995) 7.143 12.452 ( 2.613 0.000 -6.372) 6.886 12.461 ( 2.370 0.000 -4.498) 5.084 12.507 ( 1.728 0.000 -4.493) 4.814 12.560 ( 2.305 0.000 -4.724) 5.257 15.982 ( -0.311 0.000 0.675) 0.743 16.020 ( -0.318 0.000 -0.662) 0.734 17.961 ( -1.192 0.000 3.060) 3.284 18.181 ( 4.174 0.000 -1.383) 4.397 18.717 ( -2.117 0.000 -0.597) 2.199 18.796 ( -0.896 0.000 -1.919) 2.118 19.276 ( -1.695 0.000 7.758) 7.941 19.306 ( -1.967 0.000 1.473) 2.457 19.367 ( -1.463 0.000 1.227) 1.910 19.474 ( 1.202 0.000 -0.858) 1.477 19.820 ( 4.829 0.000 -3.147) 5.764 19.821 ( 2.834 0.000 -2.760) 3.956 20.142 ( 2.112 0.000 0.813) 2.263 20.208 ( 4.079 0.000 0.769) 4.151 20.729 ( -3.927 0.000 6.534) 7.623 20.871 ( -3.672 0.000 4.312) 5.663 21.038 ( -1.782 0.000 4.753) 5.076 21.350 ( -1.114 0.000 0.611) 1.270 21.834 ( 7.545 0.000 -16.304) 17.965 21.987 ( 6.228 0.000 -16.137) 17.297 22.547 ( -0.425 0.000 2.644) 2.678 22.798 ( 3.181 0.000 -7.374) 8.031 22.809 ( 0.050 0.000 1.827) 1.827 23.039 ( 3.474 0.000 -8.791) 9.453 ======================= Grid point 131 (70/111) ======================= q-point: (-0.25 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -12.820 0.000 9.612) 16.023 1.741 ( -6.010 0.000 7.980) 9.990 1.762 ( -11.965 0.000 6.730) 13.727 1.829 ( -9.926 0.000 2.082) 10.142 1.916 ( -4.430 0.000 7.640) 8.831 2.195 ( -0.140 0.000 6.689) 6.690 2.304 ( 3.466 0.000 -3.321) 4.800 2.392 ( -3.523 0.000 -3.152) 4.727 2.810 ( -4.905 0.000 0.419) 4.923 2.823 ( -8.623 0.000 9.754) 13.019 2.988 ( 1.331 0.000 2.924) 3.212 3.051 ( 3.838 0.000 2.483) 4.571 3.274 ( -2.638 0.000 -2.459) 3.607 3.351 ( 3.266 0.000 6.148) 6.962 3.477 ( -0.590 0.000 -0.567) 0.819 3.606 ( -5.406 0.000 -9.664) 11.074 3.867 ( -2.559 0.000 -5.767) 6.309 3.975 ( -1.056 0.000 -6.440) 6.526 4.057 ( 0.873 0.000 12.713) 12.742 4.487 ( 0.338 0.000 4.437) 4.450 4.520 ( -0.366 0.000 2.284) 2.313 4.765 ( -6.599 0.000 13.126) 14.691 5.024 ( -3.464 0.000 3.770) 5.119 5.158 ( -0.552 0.000 2.237) 2.304 5.361 ( -1.692 0.000 -4.209) 4.536 5.457 ( -3.162 0.000 12.147) 12.552 5.543 ( 0.337 0.000 4.683) 4.695 5.561 ( -4.204 0.000 5.437) 6.873 5.829 ( 3.912 0.000 -3.326) 5.135 6.174 ( 1.950 0.000 -2.172) 2.919 6.310 ( 1.579 0.000 -6.741) 6.923 6.565 ( 5.483 0.000 -5.499) 7.766 6.756 ( -0.183 0.000 -5.057) 5.060 6.984 ( 3.809 0.000 -13.626) 14.148 7.064 ( -1.078 0.000 0.715) 1.293 7.183 ( 0.617 0.000 -3.355) 3.412 7.550 ( -1.554 0.000 2.676) 3.094 7.666 ( -2.008 0.000 6.197) 6.514 7.832 ( -7.086 0.000 15.412) 16.963 7.982 ( -0.846 0.000 -2.709) 2.838 8.057 ( 1.095 0.000 -2.043) 2.318 8.231 ( 2.566 0.000 -6.441) 6.933 8.445 ( -4.110 0.000 11.323) 12.046 8.519 ( -3.313 0.000 11.088) 11.572 8.579 ( 2.443 0.000 -7.129) 7.536 8.855 ( -7.401 0.000 23.333) 24.478 9.309 ( -0.497 0.000 -2.169) 2.225 9.364 ( -3.763 0.000 13.028) 13.561 9.753 ( -1.426 0.000 0.057) 1.427 10.300 ( -3.949 0.000 13.013) 13.599 10.388 ( 1.153 0.000 -3.848) 4.017 11.086 ( 2.980 0.000 -6.227) 6.904 11.624 ( 1.291 0.000 2.052) 2.424 11.708 ( 5.652 0.000 -7.945) 9.750 11.750 ( 0.887 0.000 1.058) 1.380 11.823 ( 4.890 0.000 -6.196) 7.893 12.457 ( 2.707 0.000 -6.984) 7.490 12.474 ( 2.262 0.000 -4.894) 5.392 12.508 ( 1.785 0.000 -4.874) 5.190 12.571 ( 2.400 0.000 -5.147) 5.679 15.976 ( -0.720 0.000 0.556) 0.910 16.007 ( -0.415 0.000 -0.711) 0.824 17.972 ( -0.142 0.000 3.651) 3.654 18.274 ( 6.463 0.000 -2.480) 6.922 18.665 ( -2.830 0.000 0.110) 2.832 18.766 ( -0.713 0.000 -1.919) 2.047 19.284 ( -1.121 0.000 0.968) 1.481 19.309 ( -0.106 0.000 5.988) 5.989 19.341 ( -1.775 0.000 0.539) 1.855 19.485 ( 0.345 0.000 -0.443) 0.562 19.883 ( 4.684 0.000 -1.494) 4.916 19.915 ( 6.634 0.000 -1.696) 6.848 20.200 ( 2.744 0.000 1.389) 3.076 20.290 ( 3.931 0.000 -0.774) 4.007 20.668 ( -6.443 0.000 5.909) 8.742 20.802 ( -6.258 0.000 3.715) 7.278 21.041 ( -1.033 0.000 3.671) 3.814 21.320 ( -1.890 0.000 -0.523) 1.961 21.864 ( 7.890 0.000 -18.018) 19.670 21.987 ( 6.234 0.000 -17.700) 18.766 22.564 ( 0.704 0.000 1.586) 1.735 22.795 ( 1.445 0.000 -6.183) 6.350 22.821 ( 0.001 0.000 0.866) 0.866 23.021 ( 0.928 0.000 -8.602) 8.652 ======================= Grid point 132 (71/111) ======================= q-point: (-0.12 0.00 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -9.982 0.000 13.277) 16.610 1.542 ( -11.888 0.000 0.827) 11.916 1.692 ( -10.213 0.000 14.694) 17.894 1.768 ( 0.354 0.000 13.131) 13.136 1.932 ( 1.089 0.000 5.362) 5.471 2.220 ( -1.796 0.000 6.368) 6.616 2.284 ( -5.647 0.000 -0.222) 5.651 2.359 ( 3.763 0.000 -1.702) 4.130 2.700 ( -4.919 0.000 -2.544) 5.538 2.762 ( -4.770 0.000 8.831) 10.037 3.036 ( -3.252 0.000 4.414) 5.483 3.128 ( 0.791 0.000 3.156) 3.254 3.170 ( 0.018 0.000 -6.907) 6.907 3.330 ( -5.459 0.000 -1.788) 5.745 3.436 ( -5.477 0.000 -6.980) 8.872 3.485 ( 1.445 0.000 0.962) 1.736 3.764 ( -2.527 0.000 -8.137) 8.520 3.884 ( -0.966 0.000 -10.206) 10.252 4.176 ( 1.076 0.000 12.107) 12.154 4.510 ( -1.090 0.000 4.760) 4.883 4.628 ( 7.071 0.000 5.515) 8.968 4.752 ( -4.655 0.000 13.797) 14.561 4.959 ( -5.463 0.000 4.202) 6.892 5.161 ( -0.669 0.000 2.104) 2.208 5.302 ( -1.706 0.000 -2.170) 2.760 5.461 ( -3.984 0.000 9.189) 10.015 5.518 ( -3.860 0.000 5.010) 6.324 5.590 ( -0.260 0.000 7.380) 7.385 5.916 ( 6.627 0.000 -3.689) 7.584 6.193 ( 1.157 0.000 -1.462) 1.865 6.310 ( 3.191 0.000 -6.256) 7.023 6.631 ( 5.128 0.000 -5.812) 7.751 6.701 ( -1.690 0.000 -4.548) 4.852 6.959 ( 3.709 0.000 -13.473) 13.974 7.041 ( -1.641 0.000 0.928) 1.885 7.178 ( 1.137 0.000 -2.845) 3.064 7.545 ( -0.910 0.000 2.813) 2.956 7.668 ( -2.637 0.000 6.644) 7.148 7.811 ( -6.678 0.000 16.895) 18.166 7.939 ( -1.100 0.000 -2.790) 2.999 8.064 ( 0.930 0.000 -1.829) 2.052 8.233 ( 2.197 0.000 -5.916) 6.310 8.450 ( -3.174 0.000 9.985) 10.477 8.537 ( -3.210 0.000 11.750) 12.180 8.584 ( 3.250 0.000 -7.281) 7.973 8.886 ( -6.417 0.000 22.914) 23.796 9.294 ( 0.407 0.000 -1.550) 1.603 9.374 ( -4.464 0.000 12.489) 13.263 9.733 ( -0.743 0.000 0.562) 0.931 10.311 ( -4.378 0.000 12.746) 13.477 10.395 ( 2.286 0.000 -3.811) 4.444 11.101 ( 2.995 0.000 -6.455) 7.116 11.652 ( -0.097 0.000 2.036) 2.038 11.765 ( 5.505 0.000 -7.451) 9.264 11.765 ( -0.244 0.000 1.133) 1.159 11.871 ( 4.328 0.000 -5.918) 7.332 12.458 ( 2.588 0.000 -7.381) 7.821 12.477 ( 1.774 0.000 -5.135) 5.433 12.508 ( 1.900 0.000 -5.341) 5.669 12.579 ( 2.172 0.000 -5.469) 5.885 15.963 ( -0.846 0.000 0.443) 0.955 15.996 ( -0.184 0.000 -0.716) 0.740 18.003 ( 0.319 0.000 4.387) 4.399 18.375 ( 5.962 0.000 -4.994) 7.778 18.619 ( -1.888 0.000 0.661) 2.000 18.746 ( 0.331 0.000 -2.443) 2.465 19.272 ( -0.782 0.000 0.603) 0.987 19.311 ( -1.331 0.000 -0.061) 1.333 19.354 ( 1.060 0.000 3.578) 3.732 19.482 ( -0.174 0.000 -0.690) 0.711 19.966 ( 4.108 0.000 -0.183) 4.112 20.036 ( 5.967 0.000 -1.023) 6.054 20.254 ( 1.150 0.000 2.341) 2.608 20.326 ( -0.256 0.000 -1.387) 1.410 20.580 ( -6.402 0.000 5.400) 8.375 20.688 ( -7.382 0.000 3.179) 8.037 21.048 ( -0.647 0.000 2.755) 2.830 21.277 ( -1.759 0.000 -0.894) 1.973 21.876 ( 6.903 0.000 -19.223) 20.425 21.992 ( 8.200 0.000 -19.718) 21.355 22.594 ( 1.247 0.000 1.027) 1.615 22.769 ( 0.191 0.000 -5.298) 5.301 22.816 ( -0.876 0.000 0.190) 0.897 22.956 ( -1.755 0.000 -6.470) 6.704 ======================= Grid point 133 (72/111) ======================= q-point: ( 0.00 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.925 2.853 7.510) 8.087 1.379 ( -2.963 1.206 9.679) 10.194 1.501 ( -4.476 -4.255 10.862) 12.495 1.876 ( 1.058 -11.942 1.384) 12.068 2.051 ( -1.142 6.144 9.333) 11.232 2.146 ( -3.016 -2.053 6.139) 7.141 2.270 ( 2.541 1.240 6.257) 6.866 2.402 ( -0.358 -2.028 -1.179) 2.373 2.609 ( -4.085 5.139 4.195) 7.790 2.805 ( -3.413 3.857 0.561) 5.181 2.919 ( -5.035 3.802 2.450) 6.768 3.092 ( -2.030 -3.684 2.629) 4.961 3.118 ( -4.236 -0.025 -0.794) 4.310 3.269 ( 2.831 -3.019 -1.627) 4.447 3.403 ( -1.455 8.263 -2.513) 8.759 3.549 ( 0.744 0.911 -3.844) 4.020 3.681 ( -2.656 1.431 -2.564) 3.959 3.842 ( 1.642 -0.589 -5.644) 5.908 4.163 ( -5.113 -4.668 6.332) 9.383 4.451 ( -1.761 -12.225 6.212) 13.825 4.687 ( 4.511 1.681 4.892) 6.864 4.842 ( -0.053 0.930 5.105) 5.190 4.916 ( 1.562 -0.363 6.790) 6.977 5.168 ( 2.109 0.202 -3.470) 4.066 5.297 ( -1.715 2.484 6.646) 7.300 5.431 ( -5.882 -0.134 12.480) 13.798 5.626 ( -1.157 6.963 -0.377) 7.068 5.724 ( -0.126 13.967 2.720) 14.230 5.940 ( 2.403 -5.296 -2.659) 6.395 6.204 ( 0.977 0.133 -3.091) 3.245 6.334 ( 1.924 -0.539 -2.921) 3.539 6.448 ( 1.807 -16.948 -1.813) 17.140 6.654 ( -1.223 1.832 -5.021) 5.483 6.845 ( 1.449 -8.537 -8.537) 12.160 7.197 ( 1.772 9.540 -1.920) 9.891 7.276 ( 1.001 11.466 -2.043) 11.689 7.458 ( -1.235 -7.515 4.380) 8.785 7.706 ( 0.262 -2.894 1.507) 3.274 7.780 ( -4.807 0.629 12.737) 13.628 7.878 ( -1.064 -2.045 2.563) 3.447 8.074 ( 0.959 1.340 -2.116) 2.682 8.213 ( 1.759 -2.637 -5.040) 5.954 8.490 ( 2.247 -0.653 -4.258) 4.859 8.576 ( 2.886 -2.927 -5.386) 6.775 8.610 ( -6.312 9.099 21.017) 23.755 8.887 ( -6.531 -3.624 19.982) 21.332 9.345 ( -0.295 5.052 1.443) 5.262 9.447 ( -3.687 6.348 9.588) 12.075 9.710 ( -0.196 -1.389 2.487) 2.855 10.066 ( -3.356 -16.246 10.351) 19.553 10.643 ( 1.398 14.181 -1.762) 14.358 11.045 ( 2.414 -6.919 -5.977) 9.456 11.658 ( -1.529 1.235 1.404) 2.415 11.729 ( -0.739 -2.266 0.225) 2.394 11.832 ( 2.912 2.064 -5.896) 6.892 11.891 ( 2.633 -0.942 -5.617) 6.274 12.449 ( 1.919 0.419 -6.157) 6.463 12.494 ( 1.673 -0.954 -5.361) 5.696 12.505 ( 1.869 2.358 -6.283) 6.966 12.571 ( 1.696 -0.760 -5.698) 5.994 15.958 ( -0.480 0.663 0.271) 0.862 15.986 ( 0.138 -0.598 -0.491) 0.786 18.089 ( 0.345 5.151 2.975) 5.958 18.334 ( 1.964 -7.075 -4.097) 8.408 18.663 ( 0.844 4.044 -0.966) 4.243 18.742 ( 1.877 -0.752 -2.613) 3.303 19.273 ( -0.541 1.073 0.323) 1.245 19.301 ( 0.175 0.446 -0.521) 0.708 19.398 ( 0.062 0.728 1.799) 1.941 19.456 ( -0.670 -1.306 -0.796) 1.670 20.028 ( 1.156 0.467 0.110) 1.251 20.075 ( -0.289 -1.532 -2.241) 2.730 20.251 ( -5.108 0.304 3.174) 6.022 20.270 ( -3.098 -0.129 3.070) 4.364 20.526 ( -3.698 1.497 4.740) 6.196 20.592 ( -2.646 -1.401 3.498) 4.605 21.083 ( -0.759 3.045 2.162) 3.811 21.222 ( -0.490 -3.060 0.050) 3.099 21.880 ( 6.300 1.625 -19.114) 20.191 21.984 ( 8.358 -3.275 -20.527) 22.404 22.641 ( 0.156 2.080 -0.447) 2.133 22.712 ( -0.448 -1.747 -3.403) 3.851 22.822 ( -0.473 2.277 -1.100) 2.572 22.883 ( -0.264 -0.762 -3.883) 3.966 ======================= Grid point 134 (73/111) ======================= q-point: ( 0.12 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.972 1.098 4.660) 4.886 1.495 ( -0.401 -13.847 12.335) 18.548 1.622 ( 9.313 6.173 7.555) 13.487 1.903 ( 0.508 -8.629 0.757) 8.677 2.063 ( -2.886 3.224 7.634) 8.775 2.113 ( -3.876 1.611 2.496) 4.884 2.372 ( 2.258 -0.424 2.315) 3.261 2.404 ( 2.557 -1.023 1.143) 2.982 2.602 ( -0.726 5.960 5.207) 7.948 2.741 ( -1.723 4.595 0.022) 4.907 2.862 ( -3.233 1.650 3.054) 4.743 3.023 ( -5.499 2.422 4.741) 7.654 3.105 ( 1.202 1.796 0.768) 2.294 3.242 ( -2.872 1.468 -1.787) 3.687 3.462 ( 3.964 -0.842 2.506) 4.765 3.576 ( 5.116 -2.288 -0.401) 5.619 3.628 ( -1.356 1.975 -0.910) 2.562 3.856 ( 3.602 -2.692 -5.448) 7.064 4.098 ( -5.903 -4.115 7.449) 10.357 4.472 ( 0.317 -13.614 3.461) 14.050 4.762 ( -0.003 5.862 3.041) 6.604 4.899 ( 1.178 5.804 6.292) 8.641 4.990 ( 1.466 -2.031 4.601) 5.239 5.178 ( 1.818 -0.090 -4.948) 5.272 5.324 ( 0.156 1.291 5.393) 5.548 5.417 ( -4.471 0.861 12.501) 13.305 5.593 ( -1.880 6.822 -0.088) 7.077 5.737 ( -0.418 11.511 1.980) 11.688 5.934 ( -1.052 -5.604 -1.679) 5.944 6.194 ( 0.761 0.434 -4.111) 4.204 6.336 ( 0.291 -2.517 -2.484) 3.548 6.471 ( 1.835 -15.511 -1.951) 15.741 6.610 ( 0.576 1.610 -4.853) 5.146 6.822 ( 2.150 -8.903 -7.574) 11.885 7.219 ( 2.173 10.478 -3.007) 11.115 7.283 ( 1.283 10.415 -2.256) 10.734 7.472 ( -0.629 -6.969 4.317) 8.222 7.717 ( 0.220 -2.088 0.219) 2.110 7.791 ( -3.228 -0.701 12.192) 12.631 7.892 ( 0.184 -1.758 3.164) 3.624 8.074 ( 0.851 1.886 -2.743) 3.435 8.212 ( 1.746 -2.188 -4.788) 5.546 8.497 ( 1.691 -0.518 -4.622) 4.949 8.592 ( 2.867 -3.026 -6.329) 7.579 8.630 ( -7.165 8.661 21.016) 23.833 8.884 ( -8.120 -3.259 19.438) 21.317 9.352 ( -0.824 4.659 3.172) 5.696 9.446 ( -2.726 6.762 7.743) 10.635 9.730 ( 0.458 -1.595 2.111) 2.685 10.072 ( -3.655 -15.985 10.496) 19.469 10.656 ( 1.322 13.832 -2.155) 14.062 11.046 ( 2.072 -6.667 -5.876) 9.125 11.626 ( -2.438 1.505 0.931) 3.012 11.706 ( -1.647 -2.249 0.223) 2.796 11.828 ( 0.981 1.751 -5.864) 6.197 11.883 ( 0.487 -0.911 -5.300) 5.400 12.443 ( 1.841 0.526 -5.802) 6.110 12.487 ( 1.439 0.483 -4.985) 5.211 12.495 ( 1.703 0.777 -6.109) 6.389 12.560 ( 1.276 -0.875 -5.414) 5.631 15.955 ( -0.020 0.801 0.385) 0.889 15.990 ( 0.579 -0.748 -0.379) 1.019 18.099 ( -1.411 4.448 2.739) 5.411 18.309 ( -1.247 -5.729 -4.738) 7.538 18.688 ( 2.336 3.975 -1.025) 4.724 18.774 ( 3.293 -0.631 -3.071) 4.546 19.271 ( -0.219 0.827 1.445) 1.679 19.311 ( 1.246 0.788 -0.458) 1.543 19.397 ( -1.644 -0.655 2.367) 2.955 19.433 ( -1.151 -1.163 -0.265) 1.658 19.970 ( -6.865 0.199 -1.859) 7.115 20.009 ( -2.968 -1.561 -0.357) 3.373 20.184 ( -4.524 1.110 5.009) 6.840 20.225 ( -4.052 -0.744 3.648) 5.503 20.530 ( 0.253 2.236 5.234) 5.697 20.619 ( 2.181 -1.632 3.842) 4.710 21.086 ( -0.932 2.922 3.092) 4.356 21.230 ( 0.886 -3.380 1.018) 3.639 21.862 ( 5.414 2.280 -17.758) 18.705 21.989 ( 6.814 -3.517 -19.895) 21.322 22.624 ( -1.778 1.130 0.543) 2.175 22.681 ( -0.206 -2.116 -2.965) 3.649 22.821 ( 1.192 2.830 -1.383) 3.368 22.880 ( 2.884 -0.416 -4.640) 5.479 ======================= Grid point 135 (74/111) ======================= q-point: ( 0.25 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 8.882 -0.203 6.683) 11.117 1.564 ( 0.523 -10.918 7.851) 13.458 1.813 ( 4.872 2.235 3.548) 6.428 1.915 ( 0.289 -4.252 3.079) 5.258 2.046 ( -2.573 4.859 1.910) 5.820 2.081 ( -1.362 -0.484 5.918) 6.092 2.394 ( 1.147 2.555 -2.219) 3.573 2.489 ( 3.764 -0.241 -0.933) 3.885 2.615 ( -2.334 3.533 6.333) 7.619 2.765 ( 3.021 1.842 3.586) 5.038 2.833 ( -2.031 0.731 3.347) 3.983 2.988 ( -1.785 5.062 4.531) 7.024 3.090 ( -4.252 2.180 2.884) 5.581 3.219 ( -0.501 -1.455 2.708) 3.114 3.535 ( 3.789 -1.486 1.819) 4.458 3.597 ( -1.508 -0.420 3.578) 3.905 3.759 ( 9.028 -1.522 3.051) 9.651 3.878 ( 1.286 -9.231 -2.528) 9.657 4.080 ( -0.371 4.299 6.880) 8.121 4.494 ( -0.427 -7.887 0.390) 7.908 4.749 ( -2.194 3.158 2.331) 4.497 4.950 ( -0.218 9.006 3.603) 9.703 5.008 ( -1.497 -1.069 0.015) 1.840 5.184 ( 2.011 -0.414 -2.728) 3.414 5.366 ( -1.259 -0.878 8.041) 8.186 5.422 ( -4.445 -2.266 10.777) 11.876 5.564 ( -0.116 6.054 -0.720) 6.098 5.731 ( -0.093 9.597 -2.193) 9.845 5.897 ( -2.376 -3.564 1.668) 4.597 6.180 ( 1.187 0.722 -4.956) 5.147 6.318 ( -0.353 -4.198 -2.120) 4.716 6.480 ( 0.608 -13.918 -2.585) 14.169 6.619 ( 3.742 1.680 -4.459) 6.059 6.823 ( 3.358 -8.133 -7.259) 11.407 7.233 ( 1.667 11.041 -3.971) 11.851 7.292 ( 1.385 9.155 -2.727) 9.652 7.490 ( -0.411 -6.548 3.391) 7.385 7.716 ( -0.311 -3.335 -0.530) 3.391 7.824 ( -2.004 -0.286 10.997) 11.182 7.923 ( 0.167 -1.670 4.157) 4.483 8.069 ( 0.979 2.351 -3.495) 4.325 8.213 ( 1.773 -1.890 -4.727) 5.391 8.490 ( 0.824 -0.766 -4.308) 4.453 8.595 ( 2.054 -3.350 -6.321) 7.443 8.627 ( -8.604 8.198 21.364) 24.447 8.855 ( -8.702 -2.509 19.411) 21.420 9.355 ( -2.255 5.259 6.097) 8.361 9.453 ( -1.101 7.062 4.579) 8.489 9.753 ( 0.605 -2.247 1.241) 2.637 10.072 ( -3.968 -15.776 10.399) 19.307 10.661 ( 0.870 13.531 -2.520) 13.792 11.043 ( 1.845 -6.497 -5.784) 8.892 11.585 ( -2.154 1.783 0.520) 2.844 11.675 ( -1.403 -2.436 -0.176) 2.817 11.790 ( -0.415 1.594 -5.898) 6.124 11.839 ( -0.926 -0.821 -5.176) 5.322 12.440 ( 1.872 0.641 -5.256) 5.616 12.479 ( 1.409 2.334 -5.071) 5.757 12.489 ( 1.766 -1.245 -5.118) 5.556 12.547 ( 1.234 -0.930 -4.969) 5.203 15.962 ( 0.370 0.875 0.513) 1.080 16.002 ( 0.796 -0.875 -0.276) 1.214 18.074 ( -2.867 3.294 2.340) 4.955 18.231 ( -3.195 -4.016 -4.012) 6.514 18.733 ( 2.853 3.546 -1.146) 4.694 18.817 ( 3.126 -0.253 -3.244) 4.512 19.283 ( -1.010 0.707 4.456) 4.623 19.339 ( 1.685 1.057 -0.231) 2.003 19.376 ( -2.482 -1.346 3.399) 4.419 19.412 ( -0.543 -1.449 -0.374) 1.592 19.840 ( -4.525 0.725 -2.034) 5.014 19.928 ( -4.249 -3.535 -1.374) 5.695 20.138 ( -3.482 1.427 4.195) 5.636 20.171 ( -3.699 -0.074 2.918) 4.712 20.595 ( 1.959 2.847 6.196) 7.095 20.708 ( 3.408 -2.026 4.453) 5.962 21.090 ( -1.262 3.536 4.164) 5.607 21.263 ( 1.262 -3.995 1.833) 4.573 21.842 ( 4.927 2.668 -16.146) 17.091 21.971 ( 5.205 -3.130 -17.571) 18.591 22.591 ( -2.244 1.107 2.011) 3.210 22.668 ( 1.008 -3.298 -2.730) 4.399 22.840 ( 2.058 3.615 -2.620) 4.916 22.917 ( 4.568 -0.718 -6.146) 7.691 ======================= Grid point 136 (75/111) ======================= q-point: ( 0.38 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.070 -0.545 3.536) 3.579 1.726 ( 8.734 -3.498 5.466) 10.881 1.878 ( 0.767 1.970 4.408) 4.889 1.987 ( 3.003 -2.820 4.592) 6.169 2.043 ( 0.630 0.268 3.355) 3.424 2.103 ( -0.291 -1.556 5.907) 6.116 2.370 ( -2.911 3.408 -1.490) 4.723 2.494 ( -0.102 -1.343 -3.920) 4.145 2.655 ( 0.848 4.910 9.413) 10.650 2.806 ( -3.412 -2.335 5.168) 6.619 2.864 ( 1.167 -0.756 3.723) 3.975 3.000 ( -0.755 7.737 5.198) 9.351 3.085 ( 3.956 4.310 4.131) 7.162 3.189 ( -4.794 -7.893 3.198) 9.773 3.566 ( -0.479 -1.656 -1.013) 1.999 3.691 ( 4.122 0.587 9.828) 10.673 3.848 ( 0.969 -5.447 -1.055) 5.632 3.957 ( 5.607 -4.871 1.346) 7.548 4.157 ( 1.717 9.725 5.949) 11.529 4.437 ( -3.447 2.627 -2.756) 5.136 4.747 ( -1.064 -5.054 4.507) 6.855 4.892 ( -2.085 -1.821 -9.787) 10.171 5.002 ( -2.189 7.252 7.671) 10.781 5.199 ( 0.294 2.614 -0.870) 2.771 5.375 ( -6.728 -3.675 12.525) 14.685 5.386 ( -3.662 -3.282 7.413) 8.896 5.585 ( 1.864 2.680 -0.439) 3.293 5.711 ( 1.508 8.624 -6.512) 10.911 5.868 ( -2.828 -1.121 3.902) 4.948 6.171 ( 1.513 0.809 -5.026) 5.311 6.297 ( -0.183 -5.098 -1.707) 5.379 6.458 ( -0.975 -11.708 -2.702) 12.055 6.682 ( 5.654 1.491 -4.653) 7.473 6.853 ( 5.177 -6.839 -7.779) 11.579 7.227 ( 0.778 10.903 -4.259) 11.731 7.294 ( 0.993 8.249 -3.322) 8.948 7.502 ( -0.497 -6.039 2.373) 6.508 7.699 ( -0.852 -4.271 -0.640) 4.402 7.862 ( -2.081 0.230 10.211) 10.424 7.951 ( -0.550 -1.803 4.400) 4.787 8.064 ( 1.212 2.327 -3.968) 4.756 8.214 ( 1.835 -1.712 -4.781) 5.399 8.471 ( 0.219 -1.636 -3.435) 3.810 8.582 ( 0.909 -4.211 -5.145) 6.710 8.603 ( -9.131 8.684 21.304) 24.752 8.830 ( -7.928 -1.959 19.581) 21.216 9.356 ( -2.649 6.222 7.878) 10.382 9.463 ( -0.636 7.372 2.622) 7.851 9.767 ( 0.196 -2.911 0.439) 2.950 10.066 ( -4.182 -15.709 10.226) 19.205 10.653 ( 0.184 13.495 -2.564) 13.738 11.035 ( 1.527 -6.497 -5.667) 8.755 11.557 ( -0.842 1.885 0.432) 2.109 11.653 ( -0.435 -2.686 -0.897) 2.865 11.739 ( -0.180 1.671 -5.814) 6.052 11.786 ( -0.485 -0.738 -5.212) 5.286 12.441 ( 1.935 0.696 -4.871) 5.287 12.473 ( 1.684 2.001 -4.986) 5.630 12.491 ( 1.860 -1.033 -4.508) 4.985 12.540 ( 1.576 -0.936 -4.608) 4.959 15.975 ( 0.433 0.848 0.567) 1.108 16.014 ( 0.605 -0.906 -0.278) 1.124 18.031 ( -2.961 2.423 2.035) 4.334 18.149 ( -2.381 -2.993 -2.555) 4.599 18.772 ( 1.855 3.226 -1.329) 3.952 18.841 ( 1.541 0.317 -2.975) 3.365 19.283 ( -3.462 0.672 7.708) 8.476 19.350 ( -2.942 -1.583 4.140) 5.320 19.369 ( 1.481 0.944 -0.133) 1.762 19.415 ( 1.562 -1.363 -1.620) 2.631 19.771 ( -0.779 0.110 -3.178) 3.274 19.843 ( -2.705 -3.466 -2.678) 5.148 20.115 ( -1.289 1.102 3.044) 3.485 20.131 ( -2.018 0.420 1.980) 2.858 20.680 ( 1.642 2.797 6.835) 7.565 20.798 ( 2.062 -2.517 5.093) 6.044 21.095 ( -1.416 4.569 4.632) 6.659 21.297 ( 0.609 -4.359 2.179) 4.911 21.828 ( 5.225 2.654 -15.202) 16.293 21.952 ( 5.055 -2.856 -15.628) 16.672 22.570 ( -1.718 1.656 2.991) 3.826 22.678 ( 1.624 -4.321 -2.031) 5.043 22.860 ( 2.432 4.361 -3.993) 6.394 22.963 ( 4.898 -1.297 -7.246) 8.842 ======================= Grid point 137 (76/111) ======================= q-point: (-0.50 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.846 3.926 5.571) 7.386 1.825 ( -0.828 -2.911 0.834) 3.139 1.938 ( 1.212 0.883 6.724) 6.889 2.008 ( -3.156 -1.107 4.610) 5.696 2.076 ( 0.531 -4.058 -0.636) 4.141 2.170 ( -3.470 -2.022 6.980) 8.053 2.284 ( -2.005 4.370 -0.389) 4.824 2.492 ( 2.014 -2.517 -3.327) 4.633 2.756 ( 2.653 2.270 10.894) 11.440 2.792 ( -1.022 -3.378 8.455) 9.163 2.897 ( -0.392 0.846 4.507) 4.602 3.039 ( -0.432 3.812 4.762) 6.115 3.109 ( -4.300 -4.016 4.633) 7.489 3.238 ( 7.118 2.691 1.859) 7.833 3.530 ( -2.342 2.076 -0.236) 3.139 3.814 ( 1.746 -5.720 6.440) 8.789 3.867 ( 1.866 2.743 -2.399) 4.094 4.026 ( 0.878 -3.061 0.718) 3.264 4.136 ( -5.280 11.077 0.085) 12.271 4.428 ( 2.034 3.925 4.225) 6.114 4.685 ( -6.777 -7.423 -1.576) 10.174 4.833 ( 0.300 -5.070 -1.496) 5.295 4.996 ( -2.515 7.232 2.440) 8.036 5.189 ( -1.440 2.834 2.697) 4.169 5.321 ( -6.325 -6.790 10.993) 14.386 5.384 ( -2.860 -3.101 8.467) 9.460 5.609 ( 0.396 1.847 0.748) 2.032 5.703 ( 2.627 8.945 -7.193) 11.775 5.837 ( -2.883 0.111 3.036) 4.188 6.168 ( 1.745 1.374 -4.738) 5.233 6.294 ( 1.082 -7.114 -1.308) 7.314 6.408 ( -1.855 -8.810 -3.204) 9.556 6.754 ( 4.895 1.534 -5.078) 7.218 6.904 ( 5.724 -5.975 -8.681) 11.993 7.207 ( 0.285 10.195 -3.713) 10.854 7.284 ( 0.537 7.707 -3.510) 8.486 7.504 ( -0.842 -5.445 1.952) 5.845 7.678 ( -1.044 -4.139 0.160) 4.271 7.878 ( -3.842 0.629 10.373) 11.080 7.963 ( -0.893 -2.330 3.239) 4.089 8.060 ( 1.185 1.920 -3.803) 4.422 8.217 ( 2.061 -1.728 -5.171) 5.828 8.454 ( 0.272 -2.461 -2.492) 3.513 8.563 ( 0.325 -4.526 -3.289) 5.604 8.580 ( -8.304 9.354 20.204) 23.762 8.824 ( -7.298 -2.026 19.987) 21.374 9.365 ( -2.201 6.466 7.742) 10.325 9.462 ( -1.441 8.023 2.899) 8.652 9.765 ( -0.642 -3.256 0.180) 3.323 10.056 ( -4.196 -15.824 10.196) 19.287 10.635 ( -0.197 13.676 -2.224) 13.857 11.023 ( 1.424 -6.608 -5.559) 8.752 11.561 ( 0.758 1.692 0.688) 1.978 11.644 ( 0.945 -2.294 -2.860) 3.786 11.714 ( 1.439 1.471 -4.203) 4.680 11.757 ( 1.641 -0.748 -5.552) 5.837 12.445 ( 2.042 0.640 -4.861) 5.311 12.475 ( 2.084 1.501 -4.888) 5.522 12.496 ( 1.949 -0.535 -4.462) 4.898 12.543 ( 2.056 -0.894 -4.567) 5.088 15.985 ( 0.146 0.725 0.553) 0.924 16.019 ( 0.119 -0.807 -0.365) 0.894 17.996 ( -1.849 2.339 1.910) 3.541 18.113 ( 0.303 -3.006 -1.430) 3.343 18.781 ( -0.043 3.178 -1.253) 3.417 18.834 ( -0.229 0.746 -2.327) 2.455 19.269 ( -3.394 0.335 8.165) 8.849 19.320 ( -3.030 -1.747 4.035) 5.340 19.389 ( 0.360 1.232 0.215) 1.301 19.440 ( 1.940 -1.137 -1.616) 2.769 19.762 ( 2.231 -0.717 -3.543) 4.248 19.795 ( 0.178 -2.266 -3.164) 3.895 20.123 ( 0.334 0.859 1.155) 1.478 20.138 ( 1.608 0.238 1.876) 2.482 20.742 ( -0.544 2.240 6.812) 7.191 20.848 ( -0.822 -2.817 5.310) 6.067 21.099 ( -1.525 5.480 4.352) 7.162 21.315 ( -0.313 -4.358 1.888) 4.760 21.831 ( 6.169 2.381 -15.212) 16.587 21.949 ( 5.832 -2.925 -15.140) 16.486 22.567 ( -0.822 2.466 2.975) 3.950 22.700 ( 1.717 -4.639 -1.186) 5.087 22.876 ( 2.372 4.684 -4.771) 7.094 23.000 ( 4.367 -1.913 -7.923) 9.247 ======================= Grid point 138 (77/111) ======================= q-point: (-0.38 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.707 4.369 7.962) 11.290 1.718 ( -10.256 -3.964 2.046) 11.184 1.962 ( -6.229 -2.727 8.507) 10.891 1.997 ( -3.439 -1.081 4.031) 5.408 2.028 ( -2.598 -0.950 -3.542) 4.494 2.082 ( -4.455 -1.854 6.707) 8.262 2.280 ( -0.305 3.754 0.939) 3.882 2.492 ( 0.472 -0.102 -3.785) 3.816 2.836 ( -0.722 -1.461 5.439) 5.678 2.888 ( -1.101 1.556 8.418) 8.631 2.945 ( 3.845 -2.115 4.849) 6.540 2.972 ( -6.856 -2.272 5.723) 9.216 3.164 ( 3.997 2.415 2.720) 5.404 3.345 ( 3.909 -3.537 -2.847) 5.991 3.508 ( -0.531 9.863 4.058) 10.678 3.802 ( -2.260 0.365 -6.631) 7.015 3.888 ( -0.919 0.623 3.916) 4.070 4.013 ( -1.377 -1.718 -2.131) 3.064 4.073 ( -2.475 7.754 6.531) 10.436 4.494 ( -0.441 -0.455 6.576) 6.606 4.538 ( -5.856 -5.091 -1.244) 7.859 4.813 ( -3.887 0.210 4.812) 6.189 4.949 ( -1.261 -0.341 -3.695) 3.919 5.181 ( -2.547 -0.744 4.786) 5.472 5.292 ( -4.285 -5.275 10.047) 12.129 5.402 ( -1.250 -4.830 8.111) 9.523 5.618 ( -0.203 4.227 1.956) 4.662 5.707 ( 1.957 10.995 -4.566) 12.066 5.807 ( -1.169 0.247 0.458) 1.279 6.172 ( 1.890 2.086 -4.081) 4.957 6.324 ( 2.907 -11.104 -1.439) 11.568 6.350 ( -1.083 -4.919 -4.249) 6.590 6.789 ( 2.437 1.687 -5.368) 6.132 6.937 ( 4.077 -5.936 -9.535) 11.949 7.190 ( 0.311 9.450 -2.666) 9.823 7.271 ( 0.587 7.865 -2.964) 8.426 7.496 ( -1.555 -5.311 2.206) 5.957 7.665 ( -0.852 -3.787 1.640) 4.214 7.861 ( -5.538 1.283 11.065) 12.440 7.960 ( -1.340 -3.159 1.833) 3.890 8.058 ( 1.151 1.499 -3.119) 3.647 8.219 ( 2.151 -2.243 -5.802) 6.582 8.449 ( 0.868 -2.325 -2.133) 3.273 8.551 ( 1.148 -3.892 -4.019) 5.712 8.569 ( -8.022 9.405 21.361) 24.680 8.827 ( -7.150 -2.433 20.431) 21.783 9.373 ( -1.719 5.976 4.902) 7.918 9.452 ( -2.703 8.501 6.122) 10.820 9.746 ( -1.475 -3.162 0.538) 3.530 10.049 ( -3.914 -16.070 10.245) 19.456 10.619 ( 0.102 13.936 -1.712) 14.042 11.016 ( 1.997 -6.791 -5.594) 9.022 11.593 ( 1.710 1.336 1.105) 2.435 11.654 ( 2.863 -1.474 -4.355) 5.417 11.731 ( 2.547 1.058 -2.636) 3.815 11.771 ( 3.855 -0.793 -5.981) 7.160 12.451 ( 2.170 0.499 -5.229) 5.683 12.483 ( 2.363 0.813 -4.995) 5.585 12.502 ( 2.072 0.271 -4.805) 5.240 12.554 ( 2.428 -0.784 -4.869) 5.497 15.987 ( -0.304 0.574 0.490) 0.813 16.014 ( -0.312 -0.635 -0.454) 0.841 17.989 ( -0.322 3.036 2.019) 3.660 18.140 ( 3.241 -4.016 -1.073) 5.271 18.754 ( -1.796 3.314 -0.918) 3.880 18.805 ( -1.166 0.649 -1.778) 2.223 19.273 ( -1.834 -0.147 7.430) 7.654 19.295 ( -2.106 -1.024 3.328) 4.069 19.386 ( -0.674 1.869 0.098) 1.989 19.461 ( 1.057 -1.484 -0.972) 2.065 19.805 ( 4.352 -1.120 -2.798) 5.294 19.811 ( 3.615 -1.130 -2.613) 4.601 20.157 ( 2.359 1.441 0.741) 2.862 20.202 ( 3.649 -0.714 0.795) 3.802 20.745 ( -3.945 1.782 6.275) 7.623 20.840 ( -3.778 -2.801 4.939) 6.820 21.097 ( -1.558 5.683 3.624) 6.918 21.311 ( -1.128 -4.207 0.951) 4.458 21.851 ( 7.233 1.945 -16.180) 17.830 21.958 ( 6.244 -2.921 -15.972) 17.396 22.579 ( 0.203 3.282 1.983) 3.840 22.725 ( 1.684 -4.333 -1.209) 4.804 22.883 ( 1.603 4.429 -4.492) 6.509 23.016 ( 3.062 -2.417 -8.216) 9.096 ======================= Grid point 139 (78/111) ======================= q-point: (-0.25 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -12.038 4.697 8.711) 15.584 1.530 ( -10.401 -6.107 8.758) 14.906 1.815 ( -10.132 -0.468 -0.876) 10.181 1.908 ( -6.314 -0.320 8.394) 10.509 1.989 ( -2.570 1.474 0.739) 3.053 2.108 ( 0.041 -7.308 7.809) 10.695 2.267 ( -2.673 2.738 2.363) 4.497 2.458 ( -0.773 1.088 -4.452) 4.648 2.794 ( -5.888 2.839 3.116) 7.241 2.864 ( -5.268 3.875 7.980) 10.317 2.961 ( 0.918 -2.184 4.952) 5.490 3.043 ( 3.497 -1.516 2.261) 4.432 3.216 ( 0.671 -0.628 -3.381) 3.504 3.348 ( -0.678 -5.820 -5.151) 7.802 3.543 ( -1.727 9.709 7.281) 12.258 3.692 ( -3.883 5.948 -5.985) 9.288 3.852 ( -3.091 -1.263 -2.754) 4.328 3.953 ( -2.304 -4.235 -4.132) 6.350 4.121 ( 0.491 5.990 10.265) 11.895 4.459 ( -3.540 -10.058 7.973) 13.314 4.509 ( -1.678 3.011 2.733) 4.399 4.786 ( -2.067 6.000 6.817) 9.314 4.897 ( -2.184 -7.683 -1.937) 8.219 5.160 ( -1.258 -2.933 1.055) 3.361 5.289 ( -3.274 -2.509 9.121) 10.010 5.440 ( -1.931 -5.718 10.049) 11.722 5.632 ( 0.174 7.185 1.735) 7.393 5.709 ( 0.267 14.311 -1.039) 14.351 5.814 ( 2.751 -1.181 -1.691) 3.438 6.183 ( 2.014 1.641 -3.388) 4.270 6.313 ( 0.665 -4.270 -4.477) 6.222 6.378 ( 3.448 -12.076 -1.937) 12.707 6.773 ( -0.064 1.772 -5.407) 5.691 6.926 ( 2.021 -6.446 -9.960) 12.035 7.182 ( 0.444 9.084 -1.803) 9.272 7.267 ( 0.874 9.165 -2.152) 9.455 7.477 ( -2.111 -6.017 2.908) 7.008 7.670 ( -0.428 -3.807 2.976) 4.851 7.827 ( -6.048 1.612 11.614) 13.193 7.936 ( -2.297 -3.356 1.495) 4.332 8.061 ( 1.175 1.166 -2.440) 2.949 8.218 ( 2.035 -2.886 -5.972) 6.939 8.457 ( 1.643 -1.568 -2.612) 3.461 8.550 ( 1.784 -3.079 -4.283) 5.568 8.571 ( -7.597 9.087 21.933) 24.927 8.837 ( -6.668 -2.790 20.635) 21.865 9.364 ( -1.437 5.857 1.479) 6.209 9.449 ( -3.487 7.709 9.801) 12.948 9.721 ( -1.670 -2.643 1.306) 3.388 10.050 ( -3.477 -16.315 10.185) 19.545 10.617 ( 0.813 14.184 -1.402) 14.276 11.022 ( 2.737 -6.990 -5.782) 9.475 11.635 ( 1.426 1.107 1.498) 2.346 11.691 ( 3.490 -1.568 -3.605) 5.256 11.767 ( 3.037 1.466 -3.000) 4.514 11.815 ( 4.865 -0.857 -6.185) 7.916 12.455 ( 2.201 0.389 -5.751) 6.169 12.493 ( 2.297 -0.308 -5.262) 5.750 12.508 ( 2.206 1.566 -5.397) 6.038 12.566 ( 2.515 -0.666 -5.334) 5.935 15.980 ( -0.662 0.492 0.380) 0.909 16.003 ( -0.454 -0.512 -0.511) 0.854 18.011 ( 0.873 4.120 2.376) 4.835 18.214 ( 5.016 -5.697 -1.643) 7.766 18.707 ( -2.222 3.551 -0.553) 4.225 18.768 ( -1.169 0.064 -1.725) 2.084 19.283 ( -1.120 0.017 2.610) 2.840 19.300 ( -0.487 -0.667 4.808) 4.878 19.370 ( -0.697 2.734 0.113) 2.823 19.469 ( 0.381 -1.776 -0.631) 1.922 19.880 ( 5.114 -0.172 -1.399) 5.305 19.901 ( 6.490 -1.288 -1.513) 6.787 20.216 ( 2.738 1.612 1.091) 3.360 20.278 ( 3.575 -1.312 -0.348) 3.824 20.685 ( -6.291 1.762 5.595) 8.602 20.775 ( -6.058 -2.513 4.204) 7.790 21.091 ( -1.332 4.993 2.729) 5.844 21.285 ( -1.799 -3.838 -0.114) 4.240 21.877 ( 7.597 1.389 -17.856) 19.455 21.961 ( 6.346 -2.519 -17.483) 18.768 22.601 ( 1.050 3.621 0.660) 3.827 22.743 ( 1.230 -3.624 -2.272) 4.451 22.874 ( 0.310 3.673 -3.375) 4.998 22.998 ( 0.747 -2.501 -7.733) 8.162 ======================= Grid point 140 (79/111) ======================= q-point: (-0.12 0.25 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -8.118 6.716 11.284) 15.438 1.440 ( -7.847 -6.007 12.345) 15.813 1.611 ( -9.929 -0.478 0.657) 9.962 1.865 ( -2.244 -7.592 3.862) 8.809 1.988 ( -0.481 7.875 8.242) 11.410 2.154 ( -2.096 -6.766 8.695) 11.215 2.226 ( -1.873 0.866 2.645) 3.355 2.419 ( -0.092 -0.109 -3.209) 3.212 2.691 ( -6.701 3.975 3.750) 8.647 2.835 ( -3.049 5.671 6.028) 8.820 2.993 ( -2.352 -2.161 3.870) 5.018 3.106 ( -0.351 -2.442 1.958) 3.150 3.177 ( 0.591 0.759 -4.563) 4.663 3.268 ( -2.189 -4.449 -5.388) 7.322 3.496 ( -5.325 6.051 0.059) 8.061 3.592 ( -3.082 8.356 -1.754) 9.078 3.761 ( -2.536 -1.225 -5.530) 6.206 3.878 ( -1.395 -2.856 -5.292) 6.173 4.185 ( -1.496 1.006 7.316) 7.535 4.453 ( -4.071 -10.974 9.104) 14.828 4.554 ( 4.277 1.103 5.033) 6.696 4.825 ( -0.248 8.350 6.111) 10.350 4.854 ( -1.013 -9.665 3.054) 10.187 5.155 ( 1.024 -1.471 -1.957) 2.654 5.290 ( -2.832 0.318 8.044) 8.534 5.453 ( -4.888 -3.354 12.096) 13.470 5.640 ( -0.117 7.194 -0.037) 7.195 5.710 ( -0.117 15.833 1.420) 15.897 5.882 ( 4.826 -3.281 -2.125) 6.211 6.198 ( 1.686 0.551 -2.897) 3.397 6.313 ( 2.245 -1.672 -3.733) 4.666 6.422 ( 2.459 -15.200 -2.029) 15.530 6.719 ( -1.412 1.875 -5.214) 5.718 6.885 ( 1.155 -7.418 -9.548) 12.146 7.182 ( 0.889 9.039 -1.479) 9.202 7.271 ( 0.951 10.993 -1.899) 11.196 7.460 ( -1.933 -7.220 3.740) 8.358 7.687 ( -0.037 -3.823 3.012) 4.867 7.796 ( -5.738 1.519 12.106) 13.482 7.899 ( -2.561 -2.675 2.061) 4.238 8.068 ( 1.123 1.080 -2.000) 2.535 8.215 ( 1.891 -3.002 -5.549) 6.586 8.473 ( 2.199 -0.966 -3.467) 4.217 8.560 ( 2.303 -2.928 -4.383) 5.752 8.585 ( -6.727 9.155 21.470) 24.290 8.861 ( -5.944 -3.281 20.551) 21.644 9.348 ( -0.874 5.649 0.904) 5.787 9.450 ( -3.778 6.633 10.287) 12.810 9.705 ( -1.079 -1.867 2.127) 3.029 10.057 ( -3.244 -16.398 10.163) 19.563 10.628 ( 1.278 14.304 -1.489) 14.438 11.036 ( 2.829 -7.057 -5.966) 9.664 11.662 ( 0.071 1.091 1.643) 1.974 11.725 ( 1.512 -2.195 -1.142) 2.900 11.804 ( 3.627 2.153 -4.939) 6.494 11.863 ( 4.354 -0.923 -6.026) 7.492 12.454 ( 2.082 0.368 -6.125) 6.480 12.497 ( 2.007 -1.106 -5.472) 5.932 12.510 ( 2.128 2.515 -5.979) 6.827 12.574 ( 2.219 -0.654 -5.680) 6.133 15.968 ( -0.735 0.533 0.276) 0.949 15.991 ( -0.272 -0.503 -0.532) 0.781 18.051 ( 1.194 4.998 2.806) 5.855 18.295 ( 4.480 -7.091 -2.889) 8.871 18.670 ( -0.987 3.840 -0.599) 4.010 18.741 ( -0.046 -0.531 -2.083) 2.151 19.280 ( -0.597 0.847 1.104) 1.514 19.309 ( -0.667 -0.356 0.547) 0.933 19.376 ( 0.560 2.350 1.771) 2.996 19.468 ( -0.026 -1.652 -0.716) 1.801 19.971 ( 4.379 0.597 -0.283) 4.429 20.019 ( 5.846 -1.607 -0.912) 6.132 20.263 ( 0.692 1.035 1.961) 2.322 20.314 ( -0.112 -1.217 -0.536) 1.334 20.595 ( -6.386 1.647 4.970) 8.258 20.671 ( -7.041 -1.803 3.507) 8.070 21.085 ( -0.995 3.877 2.066) 4.504 21.246 ( -1.689 -3.309 -0.502) 3.749 21.887 ( 6.934 1.213 -19.123) 20.378 21.966 ( 7.723 -2.523 -19.236) 20.881 22.627 ( 1.338 3.155 -0.249) 3.436 22.738 ( 0.358 -2.554 -3.313) 4.198 22.848 ( -0.820 2.662 -2.058) 3.463 22.939 ( -1.483 -1.758 -5.716) 6.161 ======================= Grid point 141 (80/111) ======================= q-point: ( 0.00 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -4.725 -1.770 8.554) 9.931 1.338 ( -4.725 1.770 8.554) 9.931 1.639 ( 1.440 -13.401 4.591) 14.239 1.639 ( 1.440 13.401 4.591) 14.239 2.100 ( -1.005 -2.018 5.995) 6.405 2.100 ( -1.005 2.018 5.995) 6.405 2.326 ( 0.925 -4.690 1.281) 4.950 2.326 ( 0.925 4.690 1.281) 4.950 2.770 ( -3.992 -7.710 5.387) 10.217 2.770 ( -3.992 7.710 5.387) 10.217 3.004 ( -4.891 -5.122 2.862) 7.639 3.004 ( -4.891 5.122 2.862) 7.639 3.187 ( 2.270 -6.285 -2.748) 7.226 3.187 ( 2.270 6.285 -2.748) 7.226 3.529 ( -2.946 -4.694 -3.512) 6.560 3.529 ( -2.946 4.694 -3.512) 6.560 3.746 ( -2.324 -6.938 3.632) 8.169 3.746 ( -2.324 6.938 3.632) 8.169 4.223 ( -2.670 -10.541 1.562) 10.985 4.223 ( -2.670 10.541 1.562) 10.985 4.760 ( 4.845 -5.755 4.952) 9.007 4.760 ( 4.845 5.755 4.952) 9.007 5.051 ( 1.206 -10.823 -1.128) 10.948 5.051 ( 1.206 10.823 -1.128) 10.948 5.387 ( -3.720 -5.256 13.579) 15.028 5.387 ( -3.720 5.256 13.579) 15.028 5.778 ( 0.611 -9.064 -4.606) 10.185 5.778 ( 0.611 9.064 -4.606) 10.185 6.049 ( 1.457 -16.858 -2.536) 17.110 6.049 ( 1.457 16.858 -2.536) 17.110 6.311 ( 0.164 -1.381 1.312) 1.912 6.311 ( 0.164 1.381 1.312) 1.912 6.712 ( -0.486 -5.268 -6.191) 8.144 6.712 ( -0.486 5.268 -6.191) 8.144 7.325 ( 0.174 -7.079 2.216) 7.419 7.325 ( 0.174 7.079 2.216) 7.419 7.526 ( 0.827 -13.612 -1.075) 13.680 7.526 ( 0.827 13.612 -1.075) 13.680 7.842 ( -2.657 -2.855 7.281) 8.260 7.842 ( -2.657 2.855 7.281) 8.260 8.133 ( 2.041 -5.138 -4.644) 7.220 8.133 ( 2.041 5.138 -4.644) 7.220 8.513 ( 1.768 -3.255 -2.723) 4.598 8.513 ( 1.768 3.255 -2.723) 4.598 8.780 ( -5.430 -8.350 17.688) 20.299 8.780 ( -5.430 8.350 17.688) 20.299 9.457 ( -1.299 -5.629 3.361) 6.684 9.457 ( -1.299 5.629 3.361) 6.684 9.801 ( -3.061 -12.220 10.084) 16.136 9.801 ( -3.061 12.220 10.084) 16.136 10.875 ( 2.094 -11.712 -4.373) 12.676 10.875 ( 2.094 11.712 -4.373) 12.676 11.689 ( -1.059 -2.113 0.762) 2.483 11.689 ( -1.059 2.113 0.762) 2.483 11.867 ( 2.731 -1.772 -5.809) 6.659 11.867 ( 2.731 1.772 -5.809) 6.659 12.468 ( 1.819 -1.512 -5.678) 6.151 12.468 ( 1.819 1.512 -5.678) 6.151 12.547 ( 1.709 -1.958 -6.041) 6.576 12.547 ( 1.709 1.958 -6.041) 6.576 15.972 ( -0.168 -0.876 -0.106) 0.898 15.972 ( -0.168 0.876 -0.106) 0.898 18.203 ( 1.277 -7.284 -0.580) 7.418 18.203 ( 1.277 7.284 -0.580) 7.418 18.718 ( 1.401 -2.090 -1.748) 3.063 18.718 ( 1.401 2.090 -1.748) 3.063 19.295 ( 0.114 -1.045 -0.616) 1.218 19.295 ( 0.114 1.045 -0.616) 1.218 19.424 ( -0.671 -1.963 0.532) 2.141 19.424 ( -0.671 1.963 0.532) 2.141 20.045 ( 0.409 -1.484 -1.070) 1.875 20.045 ( 0.409 1.484 -1.070) 1.875 20.262 ( -4.072 -0.743 3.347) 5.323 20.262 ( -4.072 0.743 3.347) 5.323 20.559 ( -3.047 -2.058 3.969) 5.410 20.559 ( -3.047 2.058 3.969) 5.410 21.152 ( -0.753 -4.342 1.036) 4.527 21.152 ( -0.753 4.342 1.036) 4.527 21.923 ( 7.148 -3.184 -19.388) 20.908 21.923 ( 7.148 3.184 -19.388) 20.908 22.679 ( -0.330 -2.017 -2.132) 2.953 22.679 ( -0.330 2.017 -2.132) 2.953 22.860 ( 0.018 -1.825 -2.821) 3.360 22.860 ( 0.018 1.825 -2.821) 3.360 ======================= Grid point 143 (81/111) ======================= q-point: ( 0.12 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.618 -3.744 8.597) 9.397 1.338 ( -0.618 3.744 8.597) 9.397 1.758 ( 6.003 -8.211 2.914) 10.580 1.758 ( 6.003 8.211 2.914) 10.580 2.096 ( -3.042 -2.718 4.868) 6.352 2.096 ( -3.042 2.718 4.868) 6.352 2.376 ( 3.568 -1.105 0.823) 3.825 2.376 ( 3.568 1.105 0.823) 3.825 2.743 ( -2.276 -4.792 2.207) 5.746 2.743 ( -2.276 4.792 2.207) 5.746 2.939 ( -3.859 -7.998 5.163) 10.272 2.939 ( -3.859 7.998 5.163) 10.272 3.210 ( 0.178 -5.750 -1.131) 5.863 3.210 ( 0.178 5.750 -1.131) 5.863 3.504 ( 1.355 -4.544 2.327) 5.282 3.504 ( 1.355 4.544 2.327) 5.282 3.720 ( -1.926 -8.512 1.926) 8.937 3.720 ( -1.926 8.512 1.926) 8.937 4.208 ( 0.148 -13.174 2.304) 13.375 4.208 ( 0.148 13.174 2.304) 13.375 4.886 ( 3.798 -5.900 3.354) 7.777 4.886 ( 3.798 5.900 3.354) 7.777 5.061 ( 0.940 -9.591 -0.643) 9.658 5.061 ( 0.940 9.591 -0.643) 9.658 5.403 ( -3.904 -3.917 11.345) 12.621 5.403 ( -3.904 3.917 11.345) 12.621 5.741 ( -0.812 -10.107 -4.375) 11.044 5.741 ( -0.812 10.107 -4.375) 11.044 6.053 ( 0.936 -15.948 -2.783) 16.216 6.053 ( 0.936 15.948 -2.783) 16.216 6.317 ( -0.482 -3.033 1.254) 3.318 6.317 ( -0.482 3.033 1.254) 3.318 6.675 ( 1.155 -6.246 -5.429) 8.356 6.675 ( 1.155 6.246 -5.429) 8.356 7.348 ( 0.678 -6.746 1.730) 6.997 7.348 ( 0.678 6.746 1.730) 6.997 7.531 ( 0.821 -13.867 -1.938) 14.025 7.531 ( 0.821 13.867 -1.938) 14.025 7.854 ( -1.471 -3.080 7.273) 8.034 7.854 ( -1.471 3.080 7.273) 8.034 8.139 ( 1.998 -5.108 -4.947) 7.386 8.139 ( 1.998 5.108 -4.947) 7.386 8.523 ( 1.445 -3.543 -3.389) 5.111 8.523 ( 1.445 3.543 -3.389) 5.111 8.788 ( -6.636 -7.565 17.547) 20.228 8.788 ( -6.636 7.565 17.547) 20.228 9.462 ( -0.790 -5.469 3.625) 6.609 9.462 ( -0.790 5.469 3.625) 6.609 9.811 ( -2.991 -11.770 9.439) 15.380 9.811 ( -2.991 11.770 9.439) 15.380 10.882 ( 1.824 -11.353 -4.412) 12.316 10.882 ( 1.824 11.353 -4.412) 12.316 11.662 ( -1.951 -2.415 0.469) 3.139 11.662 ( -1.951 2.415 0.469) 3.139 11.860 ( 0.679 -1.650 -5.559) 5.839 11.860 ( 0.679 1.650 -5.559) 5.839 12.464 ( 1.790 -1.571 -5.456) 5.953 12.464 ( 1.790 1.571 -5.456) 5.953 12.534 ( 1.285 -2.025 -5.656) 6.143 12.534 ( 1.285 2.025 -5.656) 6.143 15.973 ( 0.268 -1.089 0.006) 1.122 15.973 ( 0.268 1.089 0.006) 1.122 18.199 ( -1.194 -6.295 -1.003) 6.485 18.199 ( -1.194 6.295 -1.003) 6.485 18.748 ( 2.890 -2.471 -2.085) 4.337 18.748 ( 2.890 2.471 -2.085) 4.337 19.299 ( 0.852 -1.879 -0.682) 2.173 19.299 ( 0.852 1.879 -0.682) 2.173 19.406 ( -1.956 -1.536 1.884) 3.120 19.406 ( -1.956 1.536 1.884) 3.120 19.982 ( -5.198 -1.228 -1.198) 5.474 19.982 ( -5.198 1.228 -1.198) 5.474 20.207 ( -4.208 -1.288 4.667) 6.414 20.207 ( -4.208 1.288 4.667) 6.414 20.578 ( 1.420 -2.829 4.398) 5.419 20.578 ( 1.420 2.829 4.398) 5.419 21.155 ( -0.053 -4.549 1.924) 4.939 21.155 ( -0.053 4.549 1.924) 4.939 21.919 ( 6.185 -3.920 -18.432) 19.834 21.919 ( 6.185 3.920 -18.432) 19.834 22.648 ( -1.437 -1.579 -0.964) 2.343 22.648 ( -1.437 1.579 -0.964) 2.343 22.863 ( 2.427 -1.687 -3.655) 4.701 22.863 ( 2.427 1.687 -3.655) 4.701 ======================= Grid point 145 (82/111) ======================= q-point: ( 0.25 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 5.451 -1.577 7.849) 9.686 1.448 ( 5.451 1.577 7.849) 9.686 1.868 ( 4.039 -2.709 1.026) 4.970 1.868 ( 4.039 2.709 1.026) 4.970 2.069 ( -3.412 -0.837 5.966) 6.924 2.069 ( -3.412 0.837 5.966) 6.924 2.456 ( 3.670 -3.174 -2.752) 5.578 2.456 ( 3.670 3.174 -2.752) 5.578 2.714 ( -2.070 -5.851 5.425) 8.243 2.714 ( -2.070 5.851 5.425) 8.243 2.938 ( 0.239 -8.609 2.879) 9.081 2.938 ( 0.239 8.609 2.879) 9.081 3.162 ( -4.072 -5.153 0.720) 6.607 3.162 ( -4.072 5.153 0.720) 6.607 3.578 ( -0.030 -3.404 8.554) 9.207 3.578 ( -0.030 3.404 8.554) 9.207 3.739 ( 4.271 -2.570 0.470) 5.007 3.739 ( 4.271 2.570 0.470) 5.007 4.263 ( 2.902 -13.919 4.003) 14.772 4.263 ( 2.902 13.919 4.003) 14.772 4.901 ( -2.619 -9.176 -2.172) 9.787 4.901 ( -2.619 9.176 -2.172) 9.787 5.102 ( 2.317 -6.954 1.752) 7.536 5.102 ( 2.317 6.954 1.752) 7.536 5.391 ( -4.638 -2.303 9.029) 10.408 5.391 ( -4.638 2.303 9.029) 10.408 5.700 ( -0.159 -9.234 -3.907) 10.028 5.700 ( -0.159 9.234 -3.907) 10.028 6.047 ( 0.301 -14.980 -2.526) 15.194 6.047 ( 0.301 14.980 -2.526) 15.194 6.313 ( -0.747 -5.108 1.100) 5.278 6.313 ( -0.747 5.108 1.100) 5.278 6.684 ( 3.645 -6.095 -5.294) 8.858 6.684 ( 3.645 6.095 -5.294) 8.858 7.369 ( 0.291 -6.866 0.892) 6.929 7.369 ( 0.291 6.866 0.892) 6.929 7.531 ( 0.932 -13.618 -3.015) 13.979 7.531 ( 0.932 13.618 -3.015) 13.979 7.882 ( -1.146 -3.202 7.457) 8.196 7.882 ( -1.146 3.202 7.457) 8.196 8.140 ( 1.970 -5.310 -5.406) 7.830 8.140 ( 1.970 5.310 -5.406) 7.830 8.518 ( 0.241 -3.963 -2.721) 4.813 8.518 ( 0.241 3.963 -2.721) 4.813 8.773 ( -7.473 -6.779 17.487) 20.189 8.773 ( -7.473 6.779 17.487) 20.189 9.476 ( -0.579 -5.720 3.822) 6.904 9.476 ( -0.579 5.720 3.822) 6.904 9.817 ( -3.006 -11.117 8.463) 14.292 9.817 ( -3.006 11.117 8.463) 14.292 10.883 ( 1.473 -11.107 -4.514) 12.079 10.883 ( 1.473 11.107 -4.514) 12.079 11.626 ( -1.735 -2.749 0.045) 3.251 11.626 ( -1.735 2.749 0.045) 3.251 11.819 ( -0.680 -1.481 -5.484) 5.721 11.819 ( -0.680 1.481 -5.484) 5.721 12.461 ( 1.824 -1.597 -5.042) 5.595 12.461 ( 1.824 1.597 -5.042) 5.595 12.520 ( 1.269 -2.048 -5.105) 5.645 12.520 ( 1.269 2.048 -5.105) 5.645 15.982 ( 0.563 -1.237 0.124) 1.364 15.982 ( 0.563 1.237 0.124) 1.364 18.149 ( -2.924 -4.760 -0.941) 5.665 18.149 ( -2.924 4.760 -0.941) 5.665 18.793 ( 3.076 -2.602 -2.265) 4.622 18.793 ( 3.076 2.602 -2.265) 4.622 19.315 ( 0.046 -2.675 1.783) 3.215 19.315 ( 0.046 2.675 1.783) 3.215 19.384 ( -1.377 -1.626 1.840) 2.815 19.384 ( -1.377 1.626 1.840) 2.815 19.869 ( -4.739 -2.615 -1.598) 5.644 19.869 ( -4.739 2.615 -1.598) 5.644 20.161 ( -3.450 -1.048 3.664) 5.141 20.161 ( -3.450 1.048 3.664) 5.141 20.656 ( 2.631 -3.538 5.320) 6.910 20.656 ( 2.631 3.538 5.320) 6.910 21.174 ( 0.207 -5.463 2.702) 6.099 21.174 ( 0.207 5.463 2.702) 6.099 21.904 ( 5.177 -4.028 -16.689) 17.931 21.904 ( 5.177 4.028 -16.689) 17.931 22.620 ( -1.073 -2.133 0.294) 2.405 22.620 ( -1.073 2.133 0.294) 2.405 22.893 ( 3.638 -2.166 -5.136) 6.656 22.893 ( 3.638 2.166 -5.136) 6.656 ======================= Grid point 147 (83/111) ======================= q-point: ( 0.38 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 5.682 -4.894 4.282) 8.636 1.614 ( 5.682 4.894 4.282) 8.636 1.960 ( 4.182 -3.145 3.339) 6.207 1.960 ( 4.182 3.145 3.339) 6.207 2.050 ( -2.993 -2.960 6.874) 8.061 2.050 ( -2.993 2.960 6.874) 8.061 2.442 ( -1.861 -4.227 -2.978) 5.495 2.442 ( -1.861 4.227 -2.978) 5.495 2.752 ( -0.632 -4.653 7.360) 8.731 2.752 ( -0.632 4.653 7.360) 8.731 2.952 ( -0.337 -10.603 0.833) 10.641 2.952 ( -0.337 10.603 0.833) 10.641 3.124 ( -0.140 -4.773 3.354) 5.835 3.124 ( -0.140 4.773 3.354) 5.835 3.616 ( -0.649 -6.568 6.870) 9.526 3.616 ( -0.649 6.568 6.870) 9.526 3.861 ( 5.459 -5.033 2.656) 7.886 3.861 ( 5.459 5.033 2.656) 7.886 4.350 ( 1.619 -10.622 4.859) 11.792 4.350 ( 1.619 10.622 4.859) 11.792 4.793 ( -3.874 -7.615 -7.329) 11.257 4.793 ( -3.874 7.615 -7.329) 11.257 5.143 ( -0.712 -7.401 4.986) 8.952 5.143 ( -0.712 7.401 4.986) 8.952 5.354 ( -5.487 -1.417 8.188) 9.958 5.354 ( -5.487 1.417 8.188) 9.958 5.683 ( 1.466 -7.244 -4.620) 8.717 5.683 ( 1.466 7.244 -4.620) 8.717 6.030 ( -0.272 -14.235 -2.053) 14.385 6.030 ( -0.272 14.235 -2.053) 14.385 6.305 ( -0.960 -5.890 1.114) 6.070 6.305 ( -0.960 5.890 1.114) 6.070 6.737 ( 5.630 -5.044 -5.842) 9.553 6.737 ( 5.630 5.044 -5.842) 9.553 7.368 ( -0.578 -6.602 -0.239) 6.631 7.368 ( -0.578 6.602 -0.239) 6.631 7.527 ( 1.114 -12.321 -3.368) 12.822 7.527 ( 1.114 12.321 -3.368) 12.822 7.909 ( -1.696 -2.954 7.467) 8.208 7.909 ( -1.696 2.954 7.467) 8.208 8.139 ( 1.928 -5.642 -5.653) 8.217 8.139 ( 1.928 5.642 -5.653) 8.217 8.497 ( -0.857 -4.246 -1.196) 4.494 8.497 ( -0.857 4.246 -1.196) 4.494 8.753 ( -7.234 -6.812 17.286) 19.938 8.753 ( -7.234 6.812 17.286) 19.938 9.492 ( -0.651 -6.139 3.943) 7.325 9.492 ( -0.651 6.139 3.943) 7.325 9.814 ( -3.187 -10.583 7.709) 13.475 9.814 ( -3.187 10.583 7.709) 13.475 10.875 ( 1.003 -11.131 -4.507) 12.050 10.875 ( 1.003 11.131 -4.507) 12.050 11.602 ( -0.642 -2.884 -0.273) 2.967 11.602 ( -0.642 2.884 -0.273) 2.967 11.767 ( -0.303 -1.355 -5.545) 5.717 11.767 ( -0.303 1.355 -5.545) 5.717 12.463 ( 1.810 -1.528 -4.672) 5.239 12.463 ( 1.810 1.528 -4.672) 5.239 12.514 ( 1.676 -1.977 -4.742) 5.404 12.514 ( 1.676 1.977 -4.742) 5.404 15.994 ( 0.502 -1.239 0.153) 1.346 15.994 ( 0.502 1.239 0.153) 1.346 18.087 ( -2.599 -3.637 -0.472) 4.495 18.087 ( -2.599 3.637 -0.472) 4.495 18.827 ( 1.853 -2.226 -2.203) 3.639 18.827 ( 1.853 2.226 -2.203) 3.639 19.310 ( -3.395 -2.368 6.215) 7.468 19.310 ( -3.395 2.368 6.215) 7.468 19.391 ( 1.571 -1.344 -0.942) 2.272 19.391 ( 1.571 1.344 -0.942) 2.272 19.789 ( -1.824 -2.129 -2.742) 3.921 19.789 ( -1.824 2.129 -2.742) 3.921 20.131 ( -1.704 -0.521 2.496) 3.067 20.131 ( -1.704 0.521 2.496) 3.067 20.740 ( 1.606 -3.670 6.054) 7.259 20.740 ( 1.606 3.670 6.054) 7.259 21.197 ( -0.013 -6.307 2.999) 6.984 21.197 ( -0.013 6.307 2.999) 6.984 21.889 ( 5.087 -3.830 -15.343) 16.611 21.889 ( 5.087 3.830 -15.343) 16.611 22.612 ( -0.270 -3.052 1.161) 3.276 22.612 ( -0.270 3.052 1.161) 3.276 22.926 ( 3.871 -2.913 -6.278) 7.930 22.926 ( 3.871 2.913 -6.278) 7.930 ======================= Grid point 149 (84/111) ======================= q-point: (-0.50 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.138 -7.888 3.389) 8.587 1.696 ( -0.138 7.888 3.389) 8.587 1.982 ( -3.149 -3.881 1.353) 5.178 1.982 ( -3.149 3.881 1.353) 5.178 2.094 ( -0.995 -5.708 7.561) 9.525 2.094 ( -0.995 5.708 7.561) 9.525 2.397 ( -0.649 -7.223 0.268) 7.257 2.397 ( -0.649 7.223 0.268) 7.257 2.777 ( 0.074 -0.744 6.315) 6.359 2.777 ( 0.074 0.744 6.315) 6.359 2.958 ( -1.212 -6.303 3.934) 7.528 2.958 ( -1.212 6.303 3.934) 7.528 3.180 ( 3.187 -6.606 0.974) 7.399 3.180 ( 3.187 6.606 0.974) 7.399 3.662 ( 0.989 -9.810 4.862) 10.993 3.662 ( 0.989 9.810 4.862) 10.993 3.955 ( 1.801 -4.996 3.027) 6.113 3.955 ( 1.801 4.996 3.027) 6.113 4.346 ( -5.432 -11.293 3.665) 13.056 4.346 ( -5.432 11.293 3.665) 13.056 4.700 ( 0.183 -7.624 -6.634) 10.108 4.700 ( 0.183 7.624 -6.634) 10.108 5.147 ( -2.953 -7.472 5.551) 9.765 5.147 ( -2.953 7.472 5.551) 9.765 5.301 ( -5.663 -4.230 8.947) 11.402 5.301 ( -5.663 4.230 8.947) 11.402 5.688 ( 2.424 -5.577 -4.687) 7.678 5.688 ( 2.424 5.577 -4.687) 7.678 6.012 ( -0.023 -14.641 -1.826) 14.755 6.012 ( -0.023 14.641 -1.826) 14.755 6.292 ( -0.894 -5.757 0.583) 5.855 6.292 ( -0.894 5.757 0.583) 5.855 6.804 ( 5.373 -4.388 -6.512) 9.515 6.804 ( 5.373 4.388 -6.512) 9.515 7.347 ( -1.018 -5.853 -0.942) 6.015 7.347 ( -1.018 5.853 -0.942) 6.015 7.526 ( 0.888 -10.479 -2.665) 10.849 7.526 ( 0.888 10.479 -2.665) 10.849 7.919 ( -2.653 -2.725 7.125) 8.076 7.919 ( -2.653 2.725 7.125) 8.076 8.135 ( 1.742 -6.011 -5.555) 8.368 8.135 ( 1.742 6.011 -5.555) 8.368 8.476 ( -0.563 -4.290 -0.324) 4.338 8.476 ( -0.563 4.290 -0.324) 4.338 8.739 ( -6.824 -7.380 17.412) 20.105 8.739 ( -6.824 7.380 17.412) 20.105 9.503 ( -1.082 -6.026 3.861) 7.238 9.503 ( -1.082 6.026 3.861) 7.238 9.803 ( -3.520 -10.511 7.762) 13.532 9.803 ( -3.520 10.511 7.762) 13.532 10.860 ( 0.789 -11.331 -4.343) 12.161 10.860 ( 0.789 11.331 -4.343) 12.161 11.600 ( 0.787 -2.532 -0.565) 2.711 11.600 ( 0.787 2.532 -0.565) 2.711 11.739 ( 1.632 -1.266 -5.482) 5.859 11.739 ( 1.632 1.266 -5.482) 5.859 12.465 ( 1.815 -1.390 -4.522) 5.067 12.465 ( 1.815 1.390 -4.522) 5.067 12.518 ( 2.228 -1.840 -4.782) 5.587 12.518 ( 2.228 1.840 -4.782) 5.587 16.001 ( 0.129 -1.080 0.104) 1.092 16.001 ( 0.129 1.080 0.104) 1.092 18.051 ( -0.715 -3.598 -0.056) 3.669 18.051 ( -0.715 3.598 -0.056) 3.669 18.830 ( -0.037 -1.643 -1.861) 2.483 18.830 ( -0.037 1.643 -1.861) 2.483 19.286 ( -3.499 -1.686 6.799) 7.830 19.286 ( -3.499 1.686 6.799) 7.830 19.415 ( 1.411 -1.593 -1.135) 2.412 19.415 ( 1.411 1.593 -1.135) 2.412 19.762 ( 1.268 -1.021 -3.111) 3.512 19.762 ( 1.268 1.021 -3.111) 3.512 20.137 ( 0.876 -0.499 1.477) 1.788 20.137 ( 0.876 0.499 1.477) 1.788 20.793 ( -0.897 -3.227 6.143) 6.996 20.793 ( -0.897 3.227 6.143) 6.996 21.212 ( -0.611 -6.654 2.767) 7.233 21.212 ( -0.611 6.654 2.767) 7.233 21.887 ( 5.836 -3.642 -15.107) 16.599 21.887 ( 5.836 3.642 -15.107) 16.599 22.624 ( 0.531 -3.827 1.360) 4.096 22.624 ( 0.531 3.827 1.360) 4.096 22.951 ( 3.391 -3.581 -6.822) 8.418 22.951 ( 3.391 3.581 -6.822) 8.418 ======================= Grid point 151 (85/111) ======================= q-point: (-0.38 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -8.054 -5.937 5.030) 11.199 1.647 ( -8.054 5.937 5.030) 11.199 1.941 ( -1.448 -3.520 2.348) 4.472 1.941 ( -1.448 3.520 2.348) 4.472 2.029 ( -8.841 -1.629 4.763) 10.173 2.029 ( -8.841 1.629 4.763) 10.173 2.412 ( 0.700 -7.773 0.004) 7.804 2.412 ( 0.700 7.773 0.004) 7.804 2.870 ( 3.482 -4.079 7.138) 8.928 2.870 ( 3.482 4.079 7.138) 8.928 2.941 ( -3.355 -2.399 3.904) 5.679 2.941 ( -3.355 2.399 3.904) 5.679 3.239 ( 3.088 -5.838 -2.327) 7.002 3.239 ( 3.088 5.838 -2.327) 7.002 3.708 ( 0.312 -9.531 3.506) 10.160 3.708 ( 0.312 9.531 3.506) 10.160 3.960 ( -2.971 -4.473 -0.122) 5.371 3.960 ( -2.971 4.473 -0.122) 5.371 4.254 ( -5.908 -13.305 7.696) 16.467 4.254 ( -5.908 13.305 7.696) 16.467 4.681 ( 0.628 -10.561 -3.881) 11.269 4.681 ( 0.628 10.561 -3.881) 11.269 5.096 ( -4.328 -9.691 1.249) 10.687 5.096 ( -4.328 9.691 1.249) 10.687 5.286 ( -3.697 -5.371 12.442) 14.047 5.286 ( -3.697 5.371 12.442) 14.047 5.710 ( 2.878 -4.719 -3.753) 6.681 5.710 ( 2.878 4.719 -3.753) 6.681 6.006 ( 0.824 -16.102 -2.041) 16.251 6.006 ( 0.824 16.102 -2.041) 16.251 6.283 ( -0.082 -5.321 -0.133) 5.323 6.283 ( -0.082 5.321 -0.133) 5.323 6.840 ( 3.094 -4.254 -7.058) 8.803 6.840 ( 3.094 4.254 -7.058) 8.803 7.324 ( -0.703 -5.754 -0.394) 5.811 7.324 ( -0.703 5.754 -0.394) 5.811 7.522 ( 0.250 -9.952 -1.576) 10.079 7.522 ( 0.250 9.952 -1.576) 10.079 7.908 ( -3.516 -2.948 6.832) 8.229 7.908 ( -3.516 2.948 6.832) 8.229 8.129 ( 1.589 -6.118 -5.302) 8.250 8.129 ( 1.589 6.118 -5.302) 8.250 8.472 ( 0.406 -4.074 -0.449) 4.119 8.472 ( 0.406 4.074 -0.449) 4.119 8.734 ( -6.562 -7.877 17.845) 20.580 8.734 ( -6.562 7.877 17.845) 20.580 9.502 ( -1.776 -5.555 3.479) 6.791 9.502 ( -1.776 5.555 3.479) 6.791 9.790 ( -3.712 -11.059 8.662) 14.530 9.790 ( -3.712 11.059 8.662) 14.530 10.849 ( 1.244 -11.600 -4.187) 12.395 10.849 ( 1.244 11.600 -4.187) 12.395 11.623 ( 1.981 -1.908 -0.726) 2.845 11.623 ( 1.981 1.908 -0.726) 2.845 11.753 ( 3.552 -1.211 -5.313) 6.505 11.753 ( 3.552 1.211 -5.313) 6.505 12.469 ( 1.902 -1.329 -4.714) 5.255 12.469 ( 1.902 1.329 -4.714) 5.255 12.531 ( 2.621 -1.776 -5.142) 6.038 12.531 ( 2.621 1.776 -5.142) 6.038 16.000 ( -0.302 -0.847 0.029) 0.900 16.000 ( -0.302 0.847 0.029) 0.900 18.060 ( 1.479 -4.603 0.119) 4.836 18.060 ( 1.479 4.603 0.119) 4.836 18.802 ( -1.539 -1.447 -1.476) 2.577 18.802 ( -1.539 1.447 -1.476) 2.577 19.278 ( -2.012 -0.723 6.007) 6.376 19.278 ( -2.012 0.723 6.007) 6.376 19.425 ( 0.443 -2.341 -0.893) 2.545 19.425 ( 0.443 2.341 -0.893) 2.545 19.795 ( 4.138 -0.244 -2.473) 4.827 19.795 ( 4.138 0.244 -2.473) 4.827 20.183 ( 2.908 -1.354 0.760) 3.297 20.183 ( 2.908 1.354 0.760) 3.297 20.788 ( -3.914 -2.826 5.669) 7.446 20.788 ( -3.914 2.826 5.669) 7.446 21.211 ( -1.250 -6.558 2.025) 6.977 21.211 ( -1.250 6.558 2.025) 6.977 21.899 ( 6.614 -3.287 -15.967) 17.593 21.899 ( 6.614 3.287 -15.967) 17.593 22.649 ( 1.176 -4.270 0.605) 4.470 22.649 ( 1.176 4.270 0.605) 4.470 22.958 ( 2.215 -3.940 -6.662) 8.051 22.958 ( 2.215 3.940 -6.662) 8.051 ======================= Grid point 153 (86/111) ======================= q-point: (-0.25 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -10.442 -1.376 6.800) 12.537 1.494 ( -10.442 1.376 6.800) 12.537 1.851 ( -9.861 -5.683 1.475) 11.477 1.851 ( -9.861 5.683 1.475) 11.477 1.976 ( -0.160 -4.608 8.066) 9.291 1.976 ( -0.160 4.608 8.066) 9.291 2.391 ( -2.050 -6.906 -2.086) 7.500 2.391 ( -2.050 6.906 -2.086) 7.500 2.893 ( -4.680 -3.822 4.853) 7.750 2.893 ( -4.680 3.822 4.853) 7.750 2.974 ( 2.685 -5.583 4.905) 7.901 2.974 ( 2.685 5.583 4.905) 7.901 3.253 ( 0.767 -4.158 -5.230) 6.726 3.253 ( 0.767 4.158 -5.230) 6.726 3.724 ( -1.194 -6.866 3.590) 7.840 3.724 ( -1.194 6.866 3.590) 7.840 3.840 ( -7.079 -2.647 -2.881) 8.088 3.840 ( -7.079 2.647 -2.881) 8.088 4.251 ( -2.250 -9.425 10.689) 14.427 4.251 ( -2.250 9.425 10.689) 14.427 4.657 ( -0.932 -11.428 -1.038) 11.513 4.657 ( -0.932 11.428 -1.038) 11.513 5.034 ( -1.007 -11.866 -2.026) 12.080 5.034 ( -1.007 11.866 -2.026) 12.080 5.317 ( -3.094 -6.221 14.222) 15.828 5.317 ( -3.094 6.221 14.222) 15.828 5.745 ( 3.096 -4.648 -3.155) 6.414 5.745 ( 3.096 4.648 -3.155) 6.414 6.014 ( 1.603 -17.255 -2.356) 17.488 6.014 ( 1.603 17.255 -2.356) 17.488 6.287 ( 0.485 -5.028 -0.142) 5.054 6.287 ( 0.485 5.028 -0.142) 5.054 6.825 ( 0.671 -4.274 -7.323) 8.506 6.825 ( 0.671 4.274 -7.323) 8.506 7.315 ( -0.490 -6.609 0.807) 6.676 7.315 ( -0.490 6.609 0.807) 6.676 7.516 ( 0.017 -11.209 -0.607) 11.225 7.516 ( 0.017 11.209 -0.607) 11.225 7.882 ( -4.031 -3.182 6.890) 8.594 7.882 ( -4.031 3.182 6.890) 8.594 8.124 ( 1.769 -5.822 -5.027) 7.893 8.124 ( 1.769 5.822 -5.027) 7.893 8.482 ( 0.965 -3.661 -0.813) 3.872 8.482 ( 0.965 3.661 -0.813) 3.872 8.738 ( -6.021 -8.188 18.011) 20.680 8.738 ( -6.021 8.188 18.011) 20.680 9.485 ( -2.209 -5.549 3.126) 6.741 9.485 ( -2.209 5.549 3.126) 6.741 9.784 ( -3.534 -11.851 9.683) 15.706 9.784 ( -3.534 11.851 9.683) 15.706 10.851 ( 1.997 -11.847 -4.199) 12.727 10.851 ( 1.997 11.847 -4.199) 12.727 11.660 ( 2.007 -1.695 -0.239) 2.638 11.660 ( 2.007 1.695 -0.239) 2.638 11.794 ( 4.450 -1.439 -5.535) 7.246 11.794 ( 4.450 1.439 -5.535) 7.246 12.472 ( 1.976 -1.360 -5.145) 5.677 12.472 ( 1.976 1.360 -5.145) 5.677 12.545 ( 2.659 -1.804 -5.647) 6.498 12.545 ( 2.659 1.804 -5.647) 6.498 15.991 ( -0.549 -0.695 -0.053) 0.887 15.991 ( -0.549 0.695 -0.053) 0.887 18.105 ( 2.908 -6.097 0.078) 6.755 18.105 ( 2.908 6.097 0.078) 6.755 18.757 ( -1.826 -1.677 -1.282) 2.791 18.757 ( -1.826 1.677 -1.282) 2.791 19.288 ( -0.779 -0.596 4.071) 4.188 19.288 ( -0.779 0.596 4.071) 4.188 19.424 ( 0.190 -3.027 -0.697) 3.112 19.424 ( 0.190 3.027 -0.697) 3.112 19.882 ( 5.952 -0.579 -1.326) 6.125 19.882 ( 5.952 0.579 -1.326) 6.125 20.248 ( 2.975 -1.862 0.439) 3.537 20.248 ( 2.975 1.862 0.439) 3.537 20.726 ( -6.060 -2.762 4.935) 8.289 20.726 ( -6.060 2.762 4.935) 8.289 21.194 ( -1.615 -5.964 1.108) 6.278 21.194 ( -1.615 5.964 1.108) 6.278 21.913 ( 6.911 -2.571 -17.537) 19.025 21.913 ( 6.911 2.571 -17.537) 19.025 22.673 ( 1.342 -4.159 -0.812) 4.445 22.673 ( 1.342 4.159 -0.812) 4.445 22.940 ( 0.427 -3.713 -5.691) 6.808 22.940 ( 0.427 3.713 -5.691) 6.808 ======================= Grid point 155 (87/111) ======================= q-point: (-0.12 -0.50 0.33) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -6.594 -3.377 8.677) 11.409 1.380 ( -6.594 3.377 8.677) 11.409 1.683 ( -7.937 -9.625 2.915) 12.812 1.683 ( -7.937 9.625 2.915) 12.812 2.047 ( 0.827 -3.661 8.398) 9.199 2.047 ( 0.827 3.661 8.398) 9.199 2.332 ( -1.899 -7.318 -0.985) 7.624 2.332 ( -1.899 7.318 -0.985) 7.624 2.828 ( -5.804 -6.880 6.021) 10.829 2.828 ( -5.804 6.880 6.021) 10.829 3.037 ( 0.467 -5.261 2.362) 5.786 3.037 ( 0.467 5.261 2.362) 5.786 3.203 ( -1.072 -2.545 -5.167) 5.859 3.203 ( -1.072 2.545 -5.167) 5.859 3.649 ( -6.416 -8.617 -3.206) 11.212 3.649 ( -6.416 8.617 -3.206) 11.212 3.754 ( -1.539 -6.864 3.680) 7.938 3.754 ( -1.539 6.864 3.680) 7.938 4.263 ( -2.958 -8.291 4.982) 10.115 4.263 ( -2.958 8.291 4.982) 10.115 4.663 ( 1.406 -9.699 3.579) 10.434 4.663 ( 1.406 9.699 3.579) 10.434 5.031 ( 1.803 -11.854 -2.330) 12.215 5.031 ( 1.803 11.854 -2.330) 12.215 5.357 ( -3.420 -6.401 14.415) 16.138 5.357 ( -3.420 6.401 14.415) 16.138 5.777 ( 2.464 -6.559 -3.723) 7.934 5.777 ( 2.464 6.559 -3.723) 7.934 6.033 ( 1.901 -17.462 -2.334) 17.720 6.033 ( 1.901 17.462 -2.334) 17.720 6.297 ( 0.441 -3.891 0.606) 3.962 6.297 ( 0.441 3.891 0.606) 3.962 6.772 ( -0.613 -4.508 -7.005) 8.353 6.772 ( -0.613 4.508 -7.005) 8.353 7.314 ( -0.520 -7.363 1.871) 7.615 7.314 ( -0.520 7.363 1.871) 7.615 7.517 ( 0.514 -12.843 -0.467) 12.862 7.517 ( 0.514 12.843 -0.467) 12.862 7.854 ( -3.793 -2.993 7.174) 8.650 7.854 ( -3.793 2.993 7.174) 8.650 8.127 ( 2.007 -5.411 -4.729) 7.462 8.127 ( 2.007 5.411 -4.729) 7.462 8.496 ( 1.381 -3.299 -1.512) 3.883 8.496 ( 1.381 3.299 -1.512) 3.883 8.756 ( -5.290 -8.459 17.892) 20.486 8.756 ( -5.290 8.459 17.892) 20.486 9.466 ( -1.948 -5.737 3.125) 6.817 9.466 ( -1.948 5.737 3.125) 6.817 9.790 ( -3.234 -12.282 10.182) 16.278 9.790 ( -3.234 12.282 10.182) 16.278 10.863 ( 2.287 -11.911 -4.329) 12.878 10.863 ( 2.287 11.911 -4.329) 12.878 11.689 ( 0.610 -1.874 0.531) 2.041 11.689 ( 0.610 1.874 0.531) 2.041 11.839 ( 4.206 -1.730 -5.889) 7.441 11.839 ( 4.206 1.730 -5.889) 7.441 12.472 ( 1.930 -1.436 -5.549) 6.048 12.472 ( 1.930 1.436 -5.549) 6.048 12.552 ( 2.284 -1.878 -6.034) 6.720 12.552 ( 2.284 1.878 -6.034) 6.720 15.980 ( -0.493 -0.711 -0.119) 0.873 15.980 ( -0.493 0.711 -0.119) 0.873 18.163 ( 2.865 -7.219 -0.149) 7.768 18.163 ( 2.865 7.219 -0.149) 7.768 18.722 ( -0.599 -1.874 -1.393) 2.411 18.722 ( -0.599 1.874 -1.393) 2.411 19.297 ( -0.368 -0.937 1.264) 1.616 19.297 ( -0.368 0.937 1.264) 1.616 19.426 ( 0.249 -2.888 -0.256) 2.910 19.426 ( 0.249 2.888 -0.256) 2.910 19.989 ( 5.157 -1.501 -0.597) 5.404 19.989 ( 5.157 1.501 -0.597) 5.404 20.288 ( 0.169 -1.581 0.931) 1.842 20.288 ( 0.169 1.581 0.931) 1.842 20.632 ( -6.565 -2.338 4.190) 8.132 20.632 ( -6.565 2.338 4.190) 8.132 21.169 ( -1.462 -5.012 0.658) 5.262 21.169 ( -1.462 5.012 0.658) 5.262 21.919 ( 7.154 -2.390 -18.983) 20.426 21.919 ( 7.154 2.390 -18.983) 20.426 22.686 ( 0.962 -3.254 -1.986) 3.931 22.686 ( 0.962 3.254 -1.986) 3.931 22.898 ( -1.021 -2.746 -3.983) 4.944 22.898 ( -1.021 2.746 -3.983) 4.944 ======================= Grid point 165 (88/111) ======================= q-point: ( 0.00 0.00 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -6.293 0.000 3.193) 7.057 1.417 ( 6.352 0.000 1.734) 6.585 1.965 ( -2.646 0.000 8.899) 9.285 2.017 ( 0.178 0.000 1.360) 1.372 2.098 ( 0.481 0.000 6.302) 6.320 2.201 ( -3.177 0.000 -0.826) 3.282 2.358 ( 1.343 0.000 3.657) 3.896 2.403 ( 1.781 0.000 -0.777) 1.943 2.594 ( 0.792 0.000 0.615) 1.003 2.650 ( -4.277 0.000 -5.032) 6.604 2.965 ( -3.499 0.000 5.469) 6.492 3.097 ( -1.146 0.000 -6.827) 6.923 3.206 ( -6.454 0.000 5.548) 8.511 3.258 ( -4.487 0.000 4.109) 6.084 3.303 ( 8.415 0.000 -2.498) 8.777 3.404 ( 3.536 0.000 -8.490) 9.197 3.619 ( 0.258 0.000 0.928) 0.963 3.678 ( 1.072 0.000 -5.080) 5.191 4.479 ( -2.712 0.000 10.707) 11.045 4.566 ( -1.003 0.000 0.745) 1.249 4.758 ( 5.773 0.000 -3.653) 6.831 4.799 ( -0.669 0.000 -6.160) 6.196 5.049 ( -3.830 0.000 9.496) 10.240 5.170 ( 1.777 0.000 -2.610) 3.158 5.414 ( -2.592 0.000 10.939) 11.242 5.546 ( -1.917 0.000 3.196) 3.727 5.570 ( -2.167 0.000 3.240) 3.898 5.671 ( 3.937 0.000 -10.120) 10.859 6.007 ( -0.438 0.000 9.353) 9.363 6.143 ( -0.134 0.000 -4.064) 4.066 6.359 ( -0.554 0.000 6.113) 6.139 6.524 ( 0.539 0.000 -8.250) 8.267 6.606 ( 1.105 0.000 0.050) 1.106 6.698 ( 2.908 0.000 -9.696) 10.122 7.055 ( -1.762 0.000 2.705) 3.228 7.121 ( 2.225 0.000 -3.769) 4.377 7.607 ( -0.499 0.000 3.170) 3.209 7.678 ( 0.668 0.000 -3.339) 3.405 7.930 ( -1.667 0.000 4.419) 4.723 8.017 ( 0.664 0.000 -3.549) 3.611 8.051 ( -2.132 0.000 7.190) 7.499 8.143 ( 1.613 0.000 -3.747) 4.080 8.443 ( 0.353 0.000 -0.835) 0.907 8.478 ( 2.026 0.000 -4.386) 4.831 8.966 ( -6.145 0.000 17.803) 18.834 9.209 ( 3.499 0.000 -8.120) 8.842 9.349 ( -7.875 0.000 19.833) 21.339 9.649 ( 4.475 0.000 -10.082) 11.030 9.739 ( -9.492 0.000 25.039) 26.777 10.202 ( 7.773 0.000 -18.904) 20.440 10.591 ( -5.911 0.000 15.863) 16.929 10.901 ( 5.418 0.000 -14.535) 15.512 11.673 ( -1.985 0.000 1.128) 2.283 11.706 ( 2.762 0.000 -2.965) 4.052 11.774 ( -1.587 0.000 1.026) 1.889 11.810 ( 2.195 0.000 -3.136) 3.828 12.365 ( 0.464 0.000 -1.500) 1.570 12.386 ( 0.932 0.000 -3.194) 3.327 12.443 ( 0.131 0.000 -0.611) 0.625 12.479 ( 1.315 0.000 -3.982) 4.194 15.963 ( -0.582 0.000 0.687) 0.900 15.977 ( 0.441 0.000 -0.778) 0.894 18.147 ( -0.804 0.000 6.213) 6.265 18.277 ( 1.560 0.000 -7.007) 7.179 18.639 ( -0.508 0.000 2.255) 2.311 18.690 ( 1.271 0.000 -2.878) 3.147 19.288 ( 0.361 0.000 0.839) 0.913 19.293 ( -0.673 0.000 0.153) 0.690 19.426 ( 0.940 0.000 1.233) 1.550 19.446 ( -1.101 0.000 -0.936) 1.446 20.026 ( 2.101 0.000 -0.027) 2.101 20.041 ( -1.858 0.000 -1.795) 2.584 20.295 ( -2.139 0.000 1.717) 2.743 20.308 ( -0.346 0.000 0.598) 0.691 20.615 ( -2.913 0.000 4.254) 5.156 20.649 ( -0.607 0.000 0.686) 0.916 21.188 ( -3.459 0.000 11.357) 11.872 21.319 ( -2.864 0.000 8.556) 9.023 21.486 ( 6.106 0.000 -18.431) 19.416 21.600 ( 7.293 0.000 -19.416) 20.740 22.640 ( 0.444 0.000 1.219) 1.297 22.670 ( -0.703 0.000 -2.057) 2.173 22.810 ( -0.146 0.000 0.882) 0.893 22.834 ( -0.599 0.000 -1.751) 1.850 ======================= Grid point 166 (89/111) ======================= q-point: ( 0.12 0.00 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 3.430 0.000 3.637) 4.999 1.605 ( 11.767 0.000 -2.720) 12.078 1.956 ( -7.375 0.000 0.892) 7.428 1.977 ( -1.420 0.000 5.558) 5.736 2.116 ( -2.514 0.000 5.350) 5.911 2.139 ( -2.196 0.000 3.017) 3.732 2.379 ( 1.210 0.000 -5.019) 5.163 2.394 ( -0.810 0.000 -1.226) 1.469 2.624 ( 3.483 0.000 0.149) 3.486 2.663 ( 2.493 0.000 5.646) 6.172 2.982 ( -2.015 0.000 8.456) 8.693 3.079 ( 0.178 0.000 0.181) 0.253 3.121 ( -3.585 0.000 3.595) 5.077 3.231 ( 0.798 0.000 4.264) 4.338 3.445 ( 4.471 0.000 -6.521) 7.906 3.493 ( 11.626 0.000 -2.247) 11.842 3.644 ( 0.754 0.000 2.770) 2.871 3.692 ( 5.601 0.000 -7.098) 9.042 4.462 ( -6.968 0.000 11.403) 13.364 4.532 ( -2.664 0.000 -0.442) 2.701 4.732 ( -0.554 0.000 -8.662) 8.679 4.825 ( 4.047 0.000 -4.527) 6.072 5.058 ( -2.396 0.000 9.176) 9.484 5.195 ( 2.300 0.000 -2.517) 3.409 5.437 ( -1.857 0.000 7.274) 7.508 5.543 ( -0.734 0.000 3.107) 3.193 5.569 ( -0.759 0.000 5.047) 5.104 5.654 ( 1.460 0.000 -9.251) 9.365 6.045 ( -2.388 0.000 9.105) 9.413 6.100 ( -0.463 0.000 -5.668) 5.687 6.382 ( -1.747 0.000 6.533) 6.762 6.485 ( 1.585 0.000 -7.977) 8.133 6.620 ( 0.233 0.000 0.375) 0.442 6.686 ( 3.045 0.000 -10.385) 10.822 7.048 ( -0.860 0.000 2.335) 2.489 7.141 ( 2.426 0.000 -3.708) 4.431 7.622 ( -0.494 0.000 3.193) 3.231 7.674 ( 1.478 0.000 -3.580) 3.873 7.933 ( -1.316 0.000 4.702) 4.882 8.004 ( 0.545 0.000 -3.026) 3.075 8.064 ( -1.413 0.000 5.940) 6.106 8.145 ( 1.348 0.000 -3.885) 4.113 8.441 ( 0.143 0.000 -1.061) 1.070 8.486 ( 2.136 0.000 -5.017) 5.453 8.971 ( -6.032 0.000 16.904) 17.948 9.221 ( 3.912 0.000 -8.941) 9.759 9.331 ( -8.224 0.000 19.945) 21.574 9.666 ( 4.648 0.000 -10.363) 11.358 9.728 ( -9.957 0.000 25.142) 27.042 10.217 ( 7.848 0.000 -19.750) 21.252 10.584 ( -6.353 0.000 15.882) 17.106 10.900 ( 5.093 0.000 -14.638) 15.499 11.629 ( -2.998 0.000 0.715) 3.082 11.717 ( 0.349 0.000 -2.668) 2.690 11.741 ( -2.277 0.000 0.770) 2.404 11.812 ( 0.040 0.000 -2.526) 2.526 12.364 ( 0.488 0.000 -1.285) 1.374 12.381 ( 0.765 0.000 -2.808) 2.910 12.442 ( 0.214 0.000 -0.514) 0.556 12.476 ( 1.089 0.000 -3.600) 3.761 15.962 ( -0.083 0.000 0.865) 0.869 15.986 ( 0.870 0.000 -0.627) 1.073 18.156 ( -2.679 0.000 5.493) 6.111 18.233 ( -0.816 0.000 -6.919) 6.967 18.662 ( 1.274 0.000 1.710) 2.133 18.709 ( 2.830 0.000 -3.392) 4.418 19.295 ( 0.750 0.000 -0.083) 0.755 19.313 ( 1.421 0.000 1.139) 1.821 19.420 ( -0.672 0.000 -0.748) 1.006 19.448 ( 0.090 0.000 1.580) 1.583 19.939 ( -6.659 0.000 -0.513) 6.679 20.018 ( -2.731 0.000 -0.556) 2.787 20.251 ( -3.970 0.000 2.972) 4.959 20.277 ( -3.357 0.000 1.567) 3.705 20.635 ( 0.971 0.000 6.176) 6.252 20.693 ( 3.594 0.000 1.821) 4.029 21.205 ( -3.258 0.000 11.511) 11.963 21.341 ( -1.163 0.000 8.330) 8.411 21.477 ( 6.340 0.000 -18.205) 19.278 21.609 ( 7.754 0.000 -19.510) 20.995 22.641 ( -0.640 0.000 -1.861) 1.968 22.646 ( -0.881 0.000 2.068) 2.248 22.823 ( 0.200 0.000 1.986) 1.996 22.827 ( 0.986 0.000 -1.301) 1.633 ======================= Grid point 167 (90/111) ======================= q-point: ( 0.25 0.00 -0.56) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 10.158 0.000 2.405) 10.439 1.771 ( 3.726 0.000 -3.085) 4.837 1.845 ( -1.290 0.000 5.005) 5.169 2.000 ( 1.711 0.000 2.500) 3.029 2.102 ( -1.612 0.000 3.132) 3.522 2.140 ( -1.151 0.000 3.961) 4.124 2.363 ( 2.779 0.000 -9.064) 9.480 2.386 ( -0.143 0.000 1.485) 1.492 2.744 ( 0.415 0.000 9.158) 9.168 2.757 ( 8.677 0.000 1.921) 8.887 2.966 ( -3.476 0.000 5.591) 6.583 3.038 ( -3.619 0.000 4.504) 5.778 3.133 ( -1.228 0.000 3.060) 3.297 3.325 ( 2.847 0.000 4.478) 5.306 3.483 ( 3.613 0.000 -3.566) 5.076 3.673 ( 2.961 0.000 5.131) 5.924 3.712 ( 9.545 0.000 -5.462) 10.998 3.791 ( 8.573 0.000 -6.770) 10.924 4.379 ( -9.974 0.000 12.692) 16.142 4.458 ( -3.934 0.000 -1.320) 4.150 4.675 ( 2.295 0.000 -10.247) 10.501 4.854 ( 2.034 0.000 -4.029) 4.514 5.076 ( -2.260 0.000 8.273) 8.576 5.210 ( 0.244 0.000 -1.127) 1.153 5.434 ( -1.634 0.000 1.693) 2.353 5.544 ( 1.271 0.000 -6.803) 6.921 5.616 ( 1.093 0.000 6.356) 6.449 5.619 ( -1.578 0.000 2.868) 3.273 6.045 ( -3.774 0.000 8.180) 9.008 6.058 ( 1.005 0.000 -6.711) 6.786 6.385 ( -3.011 0.000 7.476) 8.060 6.482 ( 4.444 0.000 -9.039) 10.072 6.619 ( -1.264 0.000 1.732) 2.144 6.671 ( 3.541 0.000 -11.368) 11.907 7.053 ( -0.182 0.000 1.876) 1.885 7.158 ( 1.869 0.000 -3.621) 4.075 7.628 ( -1.182 0.000 3.060) 3.281 7.680 ( 1.700 0.000 -3.820) 4.181 7.945 ( -0.742 0.000 4.083) 4.150 7.998 ( 0.710 0.000 -2.104) 2.220 8.076 ( -1.147 0.000 4.311) 4.461 8.142 ( 1.224 0.000 -3.872) 4.061 8.435 ( -0.028 0.000 -0.888) 0.889 8.488 ( 1.934 0.000 -5.452) 5.785 8.969 ( -6.446 0.000 16.832) 18.024 9.232 ( 3.971 0.000 -9.777) 10.552 9.318 ( -8.151 0.000 21.462) 22.958 9.679 ( 4.585 0.000 -11.244) 12.143 9.711 ( -10.136 0.000 25.481) 27.423 10.224 ( 7.413 0.000 -20.358) 21.666 10.571 ( -6.426 0.000 15.749) 17.010 10.893 ( 5.021 0.000 -14.842) 15.668 11.577 ( -2.447 0.000 0.332) 2.470 11.684 ( -1.777 0.000 -2.301) 2.907 11.704 ( -1.739 0.000 0.279) 1.761 11.779 ( -1.712 0.000 -1.692) 2.407 12.366 ( 0.585 0.000 -1.274) 1.402 12.377 ( 0.744 0.000 -2.496) 2.605 12.444 ( 0.369 0.000 -0.528) 0.644 12.472 ( 1.032 0.000 -3.118) 3.284 15.971 ( 0.276 0.000 0.990) 1.028 16.000 ( 0.962 0.000 -0.592) 1.130 18.124 ( -3.934 0.000 4.355) 5.869 18.162 ( -1.568 0.000 -5.611) 5.826 18.704 ( 1.792 0.000 1.083) 2.094 18.744 ( 3.046 0.000 -3.456) 4.607 19.319 ( 1.920 0.000 -0.516) 1.988 19.354 ( 1.632 0.000 1.504) 2.220 19.413 ( 0.198 0.000 -0.173) 0.263 19.448 ( -1.569 0.000 2.506) 2.956 19.811 ( -5.949 0.000 0.273) 5.955 19.926 ( -5.034 0.000 -2.250) 5.514 20.190 ( -3.997 0.000 2.473) 4.701 20.216 ( -4.025 0.000 2.191) 4.582 20.720 ( 2.154 0.000 7.827) 8.118 20.793 ( 4.769 0.000 2.158) 5.235 21.219 ( -3.846 0.000 11.503) 12.129 21.384 ( -0.586 0.000 7.836) 7.858 21.473 ( 6.302 0.000 -17.607) 18.701 21.623 ( 7.416 0.000 -18.201) 19.654 22.627 ( 0.806 0.000 -2.318) 2.455 22.639 ( -1.676 0.000 3.221) 3.631 22.839 ( -0.371 0.000 2.647) 2.673 22.849 ( 2.145 0.000 -1.781) 2.788 ======================= Grid point 168 (91/111) ======================= q-point: ( 0.38 0.00 -0.56) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 6.912 0.000 -0.413) 6.924 1.749 ( -3.651 0.000 7.138) 8.018 1.950 ( 5.252 0.000 2.700) 5.905 2.084 ( 4.670 0.000 -4.543) 6.516 2.121 ( 2.514 0.000 5.095) 5.682 2.130 ( -2.427 0.000 2.805) 3.709 2.364 ( 3.646 0.000 -8.781) 9.508 2.375 ( -3.787 0.000 2.852) 4.741 2.829 ( 1.951 0.000 11.802) 11.962 2.910 ( 2.808 0.000 1.926) 3.405 3.011 ( 6.958 0.000 3.340) 7.718 3.024 ( -2.021 0.000 4.076) 4.549 3.118 ( -1.585 0.000 6.703) 6.888 3.338 ( -3.713 0.000 1.924) 4.182 3.513 ( 0.292 0.000 -1.903) 1.925 3.720 ( 1.777 0.000 -7.637) 7.842 3.845 ( 5.225 0.000 0.660) 5.267 3.892 ( 5.272 0.000 -3.746) 6.467 4.277 ( -8.940 0.000 12.274) 15.184 4.387 ( -1.434 0.000 -2.218) 2.641 4.698 ( 7.070 0.000 -8.647) 11.169 4.839 ( -1.632 0.000 -2.343) 2.856 5.085 ( -2.548 0.000 7.486) 7.908 5.186 ( -1.920 0.000 0.263) 1.938 5.412 ( -0.584 0.000 -1.358) 1.478 5.498 ( 1.141 0.000 -10.336) 10.399 5.639 ( -1.788 0.000 9.679) 9.843 5.679 ( 0.592 0.000 5.431) 5.463 6.016 ( -4.668 0.000 6.903) 8.333 6.048 ( 2.545 0.000 -6.205) 6.706 6.374 ( -3.700 0.000 8.174) 8.973 6.524 ( 6.659 0.000 -10.469) 12.407 6.589 ( -3.709 0.000 3.309) 4.970 6.672 ( 5.339 0.000 -12.328) 13.435 7.066 ( 0.168 0.000 1.854) 1.862 7.159 ( 0.928 0.000 -3.669) 3.785 7.622 ( -1.464 0.000 2.830) 3.186 7.682 ( 1.188 0.000 -3.648) 3.837 7.960 ( -0.263 0.000 2.941) 2.953 8.001 ( 0.889 0.000 -1.521) 1.762 8.079 ( -1.420 0.000 3.502) 3.779 8.138 ( 1.100 0.000 -3.724) 3.884 8.429 ( 0.018 0.000 -0.634) 0.634 8.484 ( 1.608 0.000 -5.449) 5.681 8.962 ( -6.920 0.000 17.813) 19.110 9.235 ( 3.678 0.000 -10.240) 10.880 9.319 ( -8.037 0.000 22.912) 24.281 9.685 ( 4.413 0.000 -11.957) 12.746 9.701 ( -9.546 0.000 25.883) 27.587 10.216 ( 6.678 0.000 -20.571) 21.628 10.561 ( -6.042 0.000 15.713) 16.834 10.885 ( 4.983 0.000 -15.030) 15.835 11.548 ( -0.588 0.000 0.197) 0.620 11.625 ( -2.375 0.000 -2.049) 3.136 11.684 ( -0.257 0.000 -0.161) 0.303 11.731 ( -1.960 0.000 -1.148) 2.271 12.368 ( 0.619 0.000 -1.484) 1.608 12.375 ( 0.908 0.000 -2.372) 2.540 12.448 ( 0.455 0.000 -0.637) 0.783 12.472 ( 1.115 0.000 -2.837) 3.049 15.984 ( 0.310 0.000 1.011) 1.058 16.011 ( 0.625 0.000 -0.702) 0.940 18.075 ( -3.773 0.000 3.462) 5.121 18.106 ( -0.399 0.000 -3.945) 3.965 18.738 ( 0.942 0.000 0.736) 1.196 18.771 ( 1.968 0.000 -2.931) 3.531 19.359 ( 2.549 0.000 -0.849) 2.687 19.387 ( 0.218 0.000 2.063) 2.074 19.421 ( 0.498 0.000 0.284) 0.573 19.425 ( -2.935 0.000 3.509) 4.575 19.727 ( -2.387 0.000 -0.435) 2.426 19.815 ( -3.842 0.000 -3.326) 5.082 20.145 ( -1.607 0.000 1.127) 1.963 20.160 ( -2.983 0.000 1.864) 3.518 20.813 ( 1.298 0.000 8.064) 8.168 20.890 ( 3.442 0.000 1.735) 3.855 21.217 ( -4.547 0.000 11.221) 12.107 21.419 ( -1.533 0.000 7.341) 7.499 21.473 ( 6.372 0.000 -17.062) 18.213 21.638 ( 6.840 0.000 -16.624) 17.976 22.627 ( -2.102 0.000 3.672) 4.231 22.640 ( 2.413 0.000 -2.975) 3.831 22.845 ( -0.952 0.000 2.839) 2.995 22.879 ( 2.539 0.000 -2.850) 3.817 ======================= Grid point 169 (92/111) ======================= q-point: (-0.50 0.00 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.869 0.000 7.592) 9.019 1.823 ( 4.012 0.000 -2.155) 4.554 2.036 ( -3.079 0.000 6.302) 7.014 2.112 ( 0.458 0.000 0.084) 0.466 2.123 ( 3.008 0.000 2.024) 3.625 2.180 ( 0.665 0.000 -4.782) 4.828 2.278 ( -6.996 0.000 4.183) 8.151 2.373 ( 2.689 0.000 -6.097) 6.663 2.959 ( 0.924 0.000 2.904) 3.047 2.976 ( -1.139 0.000 1.602) 1.965 3.001 ( 1.520 0.000 12.228) 12.322 3.152 ( 3.507 0.000 -2.676) 4.411 3.210 ( 4.526 0.000 7.496) 8.756 3.244 ( -4.913 0.000 1.311) 5.085 3.464 ( -3.305 0.000 1.314) 3.556 3.637 ( -0.490 0.000 -13.602) 13.610 3.917 ( 0.814 0.000 1.338) 1.566 3.944 ( 2.062 0.000 -1.683) 2.662 4.218 ( -5.431 0.000 10.690) 11.990 4.382 ( 3.228 0.000 -4.239) 5.328 4.745 ( -6.922 0.000 0.015) 6.922 4.801 ( 7.582 0.000 -5.954) 9.640 5.087 ( -2.516 0.000 7.516) 7.926 5.162 ( -0.359 0.000 -0.203) 0.412 5.391 ( -0.613 0.000 -1.431) 1.557 5.464 ( 2.130 0.000 -7.531) 7.827 5.669 ( -2.185 0.000 9.306) 9.559 5.708 ( -1.066 0.000 4.210) 4.343 5.963 ( -5.804 0.000 6.947) 9.053 6.063 ( 2.863 0.000 -4.531) 5.359 6.360 ( -3.453 0.000 7.416) 8.180 6.529 ( -4.786 0.000 4.450) 6.535 6.577 ( 6.556 0.000 -11.818) 13.515 6.703 ( 6.515 0.000 -12.094) 13.738 7.084 ( 0.142 0.000 2.159) 2.164 7.144 ( 0.339 0.000 -3.747) 3.762 7.615 ( -1.274 0.000 2.804) 3.080 7.678 ( 0.951 0.000 -2.997) 3.144 7.973 ( -0.257 0.000 1.743) 1.762 8.009 ( 1.020 0.000 -1.569) 1.871 8.071 ( -2.083 0.000 4.070) 4.572 8.132 ( 0.901 0.000 -3.469) 3.584 8.427 ( 0.218 0.000 -0.443) 0.493 8.476 ( 1.439 0.000 -5.052) 5.253 8.955 ( -7.123 0.000 18.982) 20.275 9.230 ( 3.162 0.000 -10.079) 10.564 9.327 ( -8.110 0.000 23.472) 24.833 9.681 ( 3.942 0.000 -12.155) 12.779 9.708 ( -8.691 0.000 26.035) 27.448 10.196 ( 6.336 0.000 -20.325) 21.290 10.560 ( -5.542 0.000 15.867) 16.807 10.875 ( 5.063 0.000 -14.999) 15.830 11.559 ( 1.480 0.000 0.404) 1.534 11.575 ( -0.996 0.000 -2.054) 2.283 11.693 ( 1.334 0.000 -0.308) 1.369 11.696 ( -0.515 0.000 -1.309) 1.407 12.369 ( 0.634 0.000 -1.766) 1.876 12.378 ( 1.178 0.000 -2.492) 2.756 12.451 ( 0.386 0.000 -0.806) 0.894 12.474 ( 1.217 0.000 -2.927) 3.170 15.995 ( 0.006 0.000 0.944) 0.944 16.013 ( 0.093 0.000 -0.859) 0.864 18.036 ( -2.467 0.000 3.241) 4.073 18.097 ( 1.942 0.000 -2.848) 3.447 18.747 ( -0.661 0.000 0.889) 1.108 18.777 ( 0.482 0.000 -2.089) 2.144 19.377 ( -2.600 0.000 1.697) 3.105 19.397 ( 1.270 0.000 -0.073) 1.272 19.401 ( -2.130 0.000 4.502) 4.981 19.435 ( 0.983 0.000 -0.067) 0.986 19.717 ( 1.857 0.000 -0.957) 2.089 19.748 ( -0.248 0.000 -3.517) 3.526 20.133 ( -0.700 0.000 0.994) 1.215 20.149 ( 1.641 0.000 -0.358) 1.679 20.870 ( -1.229 0.000 6.953) 7.061 20.937 ( 0.358 0.000 0.476) 0.596 21.204 ( -4.841 0.000 11.083) 12.094 21.426 ( -2.882 0.000 6.783) 7.370 21.480 ( 6.669 0.000 -16.790) 18.066 21.652 ( 6.276 0.000 -15.859) 17.056 22.610 ( -2.118 0.000 3.163) 3.807 22.671 ( 2.958 0.000 -3.503) 4.585 22.844 ( -1.024 0.000 2.483) 2.686 22.903 ( 2.383 0.000 -3.947) 4.611 ======================= Grid point 170 (93/111) ======================= q-point: (-0.38 0.00 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -6.859 0.000 6.448) 9.414 1.847 ( -0.205 0.000 -3.304) 3.310 1.963 ( -7.007 0.000 6.645) 9.657 2.020 ( -7.337 0.000 -1.401) 7.470 2.185 ( -0.174 0.000 3.674) 3.678 2.193 ( -3.441 0.000 1.125) 3.620 2.196 ( 1.792 0.000 -1.285) 2.205 2.394 ( 1.809 0.000 -0.391) 1.850 2.920 ( -4.268 0.000 1.001) 4.384 2.962 ( -2.066 0.000 0.122) 2.070 3.045 ( -2.491 0.000 0.838) 2.628 3.074 ( -4.680 0.000 -0.742) 4.738 3.227 ( 1.343 0.000 -5.366) 5.531 3.342 ( 4.377 0.000 2.156) 4.879 3.500 ( 2.024 0.000 10.005) 10.207 3.558 ( -0.695 0.000 -7.221) 7.254 3.883 ( -3.924 0.000 -2.019) 4.413 3.930 ( -1.681 0.000 -4.800) 5.086 4.228 ( -1.565 0.000 11.851) 11.954 4.444 ( 5.550 0.000 -3.739) 6.692 4.608 ( -6.389 0.000 1.861) 6.654 4.867 ( 2.779 0.000 -4.497) 5.286 5.099 ( -2.021 0.000 7.935) 8.189 5.163 ( 0.693 0.000 -0.980) 1.201 5.369 ( -1.367 0.000 1.174) 1.802 5.479 ( 4.373 0.000 -6.201) 7.588 5.682 ( -2.480 0.000 6.986) 7.413 5.698 ( -2.565 0.000 3.114) 4.034 5.899 ( -6.008 0.000 8.735) 10.602 6.093 ( 2.951 0.000 -2.999) 4.208 6.336 ( -3.949 0.000 6.059) 7.233 6.495 ( -1.428 0.000 4.424) 4.649 6.605 ( 5.151 0.000 -12.328) 13.360 6.736 ( 4.928 0.000 -10.888) 11.951 7.098 ( -0.484 0.000 2.391) 2.440 7.124 ( 0.419 0.000 -3.739) 3.763 7.611 ( -1.370 0.000 3.040) 3.335 7.680 ( 1.271 0.000 -2.398) 2.714 7.973 ( -0.835 0.000 1.129) 1.404 8.018 ( 1.155 0.000 -2.033) 2.338 8.059 ( -2.558 0.000 5.344) 5.925 8.126 ( 1.019 0.000 -3.256) 3.412 8.430 ( 0.279 0.000 -0.225) 0.358 8.470 ( 1.443 0.000 -4.475) 4.702 8.954 ( -7.057 0.000 19.531) 20.767 9.217 ( 2.692 0.000 -9.315) 9.696 9.334 ( -8.178 0.000 23.373) 24.762 9.666 ( 3.401 0.000 -11.906) 12.382 9.727 ( -8.413 0.000 25.818) 27.154 10.179 ( 6.560 0.000 -19.598) 20.666 10.569 ( -5.227 0.000 15.942) 16.777 10.872 ( 5.522 0.000 -14.769) 15.768 11.565 ( 1.558 0.000 -2.355) 2.824 11.605 ( 2.475 0.000 0.837) 2.613 11.696 ( 1.686 0.000 -2.053) 2.657 11.727 ( 2.059 0.000 -0.070) 2.060 12.368 ( 0.683 0.000 -1.943) 2.060 12.385 ( 1.354 0.000 -2.861) 3.166 12.451 ( 0.251 0.000 -0.942) 0.975 12.477 ( 1.333 0.000 -3.318) 3.576 15.996 ( -0.493 0.000 0.803) 0.942 16.004 ( -0.281 0.000 -0.964) 1.004 18.029 ( -0.804 0.000 3.836) 3.920 18.138 ( 4.207 0.000 -2.876) 5.096 18.727 ( -2.209 0.000 1.499) 2.669 18.762 ( -0.694 0.000 -1.548) 1.697 19.336 ( -2.516 0.000 1.395) 2.877 19.393 ( -1.731 0.000 0.984) 1.991 19.395 ( -1.575 0.000 3.809) 4.122 19.461 ( 1.587 0.000 -0.706) 1.737 19.761 ( 3.885 0.000 -3.163) 5.010 19.781 ( 5.032 0.000 -0.305) 5.041 20.152 ( 2.236 0.000 0.214) 2.247 20.196 ( 3.674 0.000 -1.567) 3.994 20.857 ( -4.600 0.000 5.270) 6.995 20.910 ( -2.742 0.000 -1.119) 2.961 21.191 ( -4.608 0.000 11.218) 12.127 21.405 ( -3.972 0.000 6.535) 7.648 21.493 ( 6.862 0.000 -16.883) 18.225 21.652 ( 5.308 0.000 -16.110) 16.962 22.594 ( -1.341 0.000 2.204) 2.580 22.698 ( 2.331 0.000 -3.794) 4.453 22.840 ( -0.850 0.000 1.531) 1.751 22.913 ( 1.666 0.000 -4.522) 4.820 ======================= Grid point 171 (94/111) ======================= q-point: (-0.25 0.00 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -10.714 0.000 4.613) 11.665 1.741 ( -8.920 0.000 -0.494) 8.934 1.918 ( -2.457 0.000 8.768) 9.106 1.923 ( -0.883 0.000 -1.181) 1.475 2.100 ( -8.039 0.000 10.244) 13.022 2.192 ( 1.466 0.000 -5.117) 5.323 2.253 ( 4.295 0.000 -0.960) 4.401 2.396 ( -2.488 0.000 1.580) 2.947 2.792 ( -7.664 0.000 -1.573) 7.824 2.898 ( -2.967 0.000 -3.758) 4.788 3.047 ( 1.529 0.000 2.899) 3.277 3.054 ( 4.436 0.000 -2.464) 5.074 3.187 ( -2.678 0.000 -3.997) 4.811 3.379 ( -1.421 0.000 -1.455) 2.034 3.477 ( -4.012 0.000 -2.934) 4.971 3.569 ( -2.668 0.000 7.740) 8.187 3.757 ( -6.151 0.000 -3.570) 7.112 3.815 ( -4.349 0.000 -8.648) 9.680 4.314 ( 0.907 0.000 12.659) 12.691 4.521 ( 3.831 0.000 -1.436) 4.092 4.573 ( 1.532 0.000 1.924) 2.459 4.863 ( 0.202 0.000 -3.130) 3.137 5.103 ( -3.506 0.000 7.491) 8.271 5.167 ( 0.566 0.000 -1.563) 1.662 5.362 ( -1.682 0.000 5.637) 5.883 5.532 ( 4.643 0.000 -5.009) 6.830 5.657 ( -3.538 0.000 2.528) 4.348 5.668 ( -2.010 0.000 1.797) 2.696 5.880 ( -2.597 0.000 10.700) 11.011 6.131 ( 2.668 0.000 -2.354) 3.558 6.310 ( -2.676 0.000 6.017) 6.586 6.527 ( 1.485 0.000 2.721) 3.100 6.602 ( 3.233 0.000 -11.522) 11.967 6.736 ( 2.788 0.000 -9.886) 10.272 7.096 ( -1.572 0.000 2.529) 2.978 7.111 ( 0.955 0.000 -3.685) 3.806 7.604 ( -1.545 0.000 3.281) 3.626 7.690 ( 1.287 0.000 -2.418) 2.740 7.957 ( -1.686 0.000 1.667) 2.371 8.025 ( 1.256 0.000 -2.777) 3.048 8.050 ( -2.693 0.000 6.511) 7.046 8.127 ( 1.476 0.000 -3.206) 3.529 8.434 ( 0.293 0.000 -0.113) 0.314 8.468 ( 1.497 0.000 -4.023) 4.293 8.956 ( -6.893 0.000 19.362) 20.552 9.205 ( 2.612 0.000 -8.352) 8.751 9.342 ( -7.808 0.000 22.809) 24.109 9.648 ( 3.329 0.000 -11.307) 11.787 9.742 ( -8.830 0.000 25.369) 26.862 10.175 ( 7.037 0.000 -18.745) 20.023 10.580 ( -5.195 0.000 15.804) 16.636 10.881 ( 5.995 0.000 -14.583) 15.767 11.599 ( 3.688 0.000 -2.764) 4.609 11.656 ( 1.823 0.000 1.235) 2.202 11.729 ( 3.309 0.000 -2.851) 4.368 11.764 ( 1.473 0.000 0.423) 1.533 12.368 ( 0.679 0.000 -1.937) 2.053 12.389 ( 1.321 0.000 -3.274) 3.530 12.449 ( 0.166 0.000 -0.943) 0.958 12.479 ( 1.470 0.000 -3.781) 4.056 15.988 ( -0.890 0.000 0.646) 1.100 15.991 ( -0.323 0.000 -0.988) 1.040 18.057 ( 0.357 0.000 4.978) 4.990 18.208 ( 5.185 0.000 -4.061) 6.585 18.688 ( -2.954 0.000 2.156) 3.657 18.731 ( -1.136 0.000 -1.639) 1.994 19.304 ( -1.623 0.000 0.966) 1.889 19.357 ( -2.433 0.000 0.764) 2.551 19.394 ( -0.768 0.000 2.447) 2.565 19.476 ( 0.386 0.000 -0.610) 0.722 19.843 ( 6.196 0.000 -2.398) 6.644 19.898 ( 6.675 0.000 0.283) 6.681 20.215 ( 3.810 0.000 -0.110) 3.811 20.258 ( 3.790 0.000 -2.120) 4.343 20.778 ( -6.518 0.000 4.032) 7.664 20.824 ( -4.794 0.000 -2.017) 5.201 21.183 ( -4.370 0.000 11.281) 12.097 21.368 ( -4.679 0.000 7.021) 8.437 21.503 ( 6.578 0.000 -17.449) 18.648 21.630 ( 4.646 0.000 -16.910) 17.537 22.594 ( 0.065 0.000 1.424) 1.425 22.706 ( 1.152 0.000 -3.638) 3.816 22.831 ( -0.809 0.000 0.422) 0.912 22.902 ( 0.313 0.000 -4.193) 4.205 ======================= Grid point 172 (95/111) ======================= q-point: (-0.12 0.00 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -5.275 0.000 4.141) 6.706 1.544 ( -10.893 0.000 2.022) 11.079 1.943 ( 0.571 0.000 4.134) 4.173 1.970 ( 1.275 0.000 6.084) 6.216 2.050 ( -3.574 0.000 10.104) 10.717 2.207 ( 3.140 0.000 -3.736) 4.881 2.336 ( 4.706 0.000 -0.775) 4.769 2.347 ( -3.470 0.000 3.788) 5.138 2.648 ( -5.030 0.000 -2.223) 5.499 2.792 ( -4.691 0.000 -5.749) 7.420 3.062 ( -7.511 0.000 0.247) 7.515 3.132 ( 4.393 0.000 -4.731) 6.456 3.147 ( 5.799 0.000 2.301) 6.239 3.286 ( -5.255 0.000 -1.490) 5.462 3.369 ( -6.008 0.000 0.436) 6.024 3.489 ( -7.020 0.000 -0.822) 7.068 3.641 ( -2.517 0.000 -2.749) 3.727 3.708 ( -0.558 0.000 -5.972) 5.998 4.419 ( 0.431 0.000 11.685) 11.693 4.563 ( 0.828 0.000 0.584) 1.013 4.659 ( 5.897 0.000 -1.137) 6.005 4.840 ( -0.084 0.000 -3.778) 3.779 5.073 ( -4.902 0.000 8.402) 9.727 5.165 ( 0.646 0.000 -2.089) 2.187 5.384 ( -1.971 0.000 9.827) 10.023 5.561 ( -0.255 0.000 0.193) 0.320 5.605 ( -3.465 0.000 2.627) 4.349 5.656 ( 2.896 0.000 -6.314) 6.946 5.937 ( 0.138 0.000 10.138) 10.138 6.155 ( 1.439 0.000 -2.783) 3.133 6.323 ( -0.584 0.000 6.139) 6.167 6.571 ( 1.450 0.000 -9.829) 9.936 6.574 ( 1.800 0.000 0.970) 2.044 6.715 ( 2.338 0.000 -9.480) 9.764 7.076 ( -2.209 0.000 2.689) 3.480 7.110 ( 1.644 0.000 -3.694) 4.043 7.600 ( -1.154 0.000 3.258) 3.456 7.690 ( 0.639 0.000 -2.982) 3.050 7.937 ( -1.924 0.000 3.152) 3.693 8.025 ( 1.055 0.000 -3.427) 3.586 8.046 ( -2.662 0.000 7.308) 7.778 8.136 ( 1.741 0.000 -3.421) 3.838 8.440 ( 0.388 0.000 -0.363) 0.531 8.471 ( 1.708 0.000 -3.976) 4.327 8.960 ( -6.603 0.000 18.738) 19.868 9.202 ( 2.964 0.000 -7.832) 8.374 9.352 ( -7.479 0.000 21.353) 22.625 9.640 ( 3.866 0.000 -10.559) 11.244 9.744 ( -9.254 0.000 25.070) 26.723 10.185 ( 7.476 0.000 -18.418) 19.877 10.589 ( -5.450 0.000 15.747) 16.664 10.894 ( 5.897 0.000 -14.520) 15.672 11.658 ( 4.144 0.000 -3.013) 5.123 11.684 ( -0.019 0.000 1.349) 1.349 11.775 ( 3.512 0.000 -3.263) 4.794 11.784 ( -0.042 0.000 0.881) 0.882 12.367 ( 0.572 0.000 -1.764) 1.854 12.389 ( 1.149 0.000 -3.413) 3.601 12.445 ( 0.134 0.000 -0.796) 0.807 12.480 ( 1.496 0.000 -4.052) 4.320 15.973 ( -0.926 0.000 0.587) 1.096 15.980 ( -0.043 0.000 -0.924) 0.925 18.106 ( 0.405 0.000 5.995) 6.009 18.267 ( 4.129 0.000 -5.788) 7.110 18.651 ( -2.333 0.000 2.443) 3.378 18.701 ( -0.431 0.000 -2.183) 2.225 19.287 ( -0.726 0.000 0.711) 1.016 19.317 ( -1.896 0.000 0.400) 1.937 19.403 ( 0.340 0.000 1.477) 1.516 19.469 ( -0.575 0.000 -0.732) 0.931 19.950 ( 5.660 0.000 -1.183) 5.782 20.017 ( 4.758 0.000 -0.592) 4.795 20.282 ( 2.694 0.000 0.014) 2.694 20.301 ( 1.469 0.000 -1.120) 1.847 20.679 ( -5.993 0.000 3.577) 6.979 20.711 ( -4.933 0.000 -1.225) 5.083 21.181 ( -4.059 0.000 11.302) 12.009 21.331 ( -4.336 0.000 7.979) 9.081 21.499 ( 6.011 0.000 -18.116) 19.087 21.605 ( 5.786 0.000 -18.124) 19.025 22.615 ( 1.024 0.000 1.096) 1.500 22.694 ( 0.079 0.000 -2.888) 2.889 22.817 ( -0.734 0.000 0.064) 0.737 22.869 ( -0.923 0.000 -2.996) 3.135 ======================= Grid point 173 (96/111) ======================= q-point: ( 0.00 0.25 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -4.312 3.420 5.118) 7.516 1.480 ( 4.085 5.859 -0.179) 7.145 1.725 ( -4.087 -14.302 9.720) 17.768 1.852 ( 2.793 -13.295 -3.560) 14.044 2.176 ( -1.072 1.244 3.871) 4.205 2.219 ( -1.234 -1.479 0.117) 1.930 2.360 ( 1.307 0.068 4.165) 4.366 2.400 ( -0.102 -1.286 0.116) 1.295 2.680 ( -1.957 9.252 2.702) 9.835 2.743 ( -1.321 6.569 -4.293) 7.958 2.983 ( -3.748 2.959 3.749) 6.071 3.052 ( 1.311 -1.149 -2.855) 3.345 3.193 ( -4.413 -2.454 4.463) 6.739 3.253 ( 1.501 -3.472 -1.434) 4.046 3.400 ( 2.152 9.580 0.858) 9.856 3.451 ( 0.086 4.283 -4.742) 6.390 3.661 ( -0.735 4.177 1.176) 4.402 3.726 ( 0.949 4.068 -4.844) 6.396 4.292 ( -3.930 -10.253 6.577) 12.800 4.425 ( 2.154 -13.316 -6.433) 14.945 4.818 ( 0.932 6.633 8.075) 10.492 4.932 ( -0.237 -3.567 0.128) 3.577 4.997 ( 1.040 1.164 3.478) 3.812 5.088 ( 1.023 -6.367 -4.069) 7.625 5.436 ( -2.414 6.304 7.961) 10.437 5.597 ( 0.081 4.781 -3.398) 5.866 5.647 ( -1.352 5.659 2.965) 6.530 5.685 ( 0.417 -0.438 -1.349) 1.478 5.998 ( -0.413 -0.450 7.141) 7.168 6.120 ( 0.964 -3.432 -5.197) 6.302 6.371 ( -0.838 1.081 5.736) 5.897 6.461 ( -0.115 -7.033 1.334) 7.159 6.552 ( -0.921 -0.309 -3.658) 3.785 6.652 ( 3.172 -5.157 -9.931) 11.631 7.185 ( -0.080 10.973 0.810) 11.003 7.222 ( 1.138 10.542 -2.732) 10.949 7.535 ( -1.011 -7.325 4.075) 8.443 7.629 ( 1.783 -6.597 -5.477) 8.758 7.928 ( -1.933 0.471 4.856) 5.248 7.975 ( -0.379 -2.019 1.537) 2.566 8.058 ( -0.545 -0.800 1.060) 1.435 8.113 ( 1.848 -3.005 -4.347) 5.598 8.438 ( 0.460 0.158 -0.345) 0.596 8.476 ( 1.597 -0.520 -3.937) 4.280 9.036 ( -6.091 6.974 18.023) 20.263 9.257 ( -0.003 1.360 0.123) 1.366 9.333 ( -4.648 1.517 12.341) 13.275 9.588 ( 2.506 -5.841 -5.731) 8.558 9.820 ( -6.509 7.807 17.549) 20.280 10.140 ( 3.411 -6.695 -7.658) 10.729 10.634 ( -1.912 4.699 5.505) 7.486 10.854 ( 4.919 -5.008 -13.030) 14.801 11.679 ( -1.622 0.625 0.854) 1.936 11.704 ( 1.718 -0.347 -2.021) 2.676 11.776 ( -0.664 0.302 0.023) 0.730 11.803 ( 1.994 -0.762 -2.894) 3.596 12.376 ( 0.245 1.215 -0.993) 1.589 12.406 ( 1.173 1.752 -3.690) 4.250 12.433 ( 0.050 -0.900 -0.535) 1.048 12.471 ( 1.325 -0.927 -4.044) 4.356 15.965 ( -0.433 0.268 0.473) 0.696 15.976 ( 0.292 -0.190 -0.558) 0.658 18.161 ( -0.411 1.535 4.292) 4.577 18.249 ( 1.169 -2.688 -4.547) 5.410 18.666 ( -0.181 2.341 1.050) 2.573 18.697 ( 1.052 0.550 -2.028) 2.350 19.278 ( -0.268 -0.494 0.497) 0.751 19.292 ( 0.104 -0.570 -0.705) 0.913 19.432 ( 0.209 0.603 1.398) 1.537 19.448 ( -0.609 0.073 -0.317) 0.691 20.022 ( 1.346 -0.252 -0.254) 1.393 20.034 ( -1.122 -0.715 -1.533) 2.030 20.300 ( -1.758 0.563 1.742) 2.538 20.311 ( -0.689 0.185 0.773) 1.052 20.618 ( -2.550 0.371 3.664) 4.479 20.643 ( -0.879 -0.689 1.118) 1.580 21.205 ( -3.482 1.887 10.862) 11.562 21.298 ( -3.031 -2.216 8.838) 9.603 21.499 ( 6.293 1.501 -18.395) 19.500 21.580 ( 7.135 -2.098 -19.068) 20.467 22.644 ( 0.242 0.443 0.602) 0.786 22.664 ( -0.583 -0.536 -1.578) 1.765 22.819 ( -0.133 0.777 0.397) 0.883 22.835 ( -0.458 0.012 -1.407) 1.480 ======================= Grid point 174 (97/111) ======================= q-point: ( 0.12 0.25 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 2.356 3.474 4.369) 6.058 1.611 ( 6.721 -1.505 -1.523) 7.053 1.728 ( -0.084 -9.998 6.099) 11.712 1.885 ( 2.815 -10.047 -3.094) 10.883 2.169 ( -2.341 1.793 2.907) 4.141 2.188 ( -2.832 1.508 4.019) 5.143 2.370 ( -1.174 -0.036 -2.114) 2.419 2.407 ( 1.867 -0.972 -0.614) 2.192 2.681 ( 1.185 5.751 3.705) 6.943 2.754 ( 1.485 7.861 1.892) 8.220 2.943 ( -2.868 -1.453 5.025) 5.966 3.112 ( 2.880 2.791 0.189) 4.015 3.120 ( -4.598 -1.866 3.709) 6.195 3.242 ( -0.249 -0.209 0.650) 0.727 3.441 ( 3.503 4.006 -2.090) 5.717 3.571 ( 9.862 4.582 -0.262) 10.878 3.679 ( 0.983 2.372 3.567) 4.395 3.729 ( 3.240 2.840 -5.214) 6.763 4.264 ( -4.100 -9.711 9.016) 13.871 4.430 ( 2.521 -10.966 -5.709) 12.617 4.843 ( -3.200 6.696 5.227) 9.077 4.905 ( -0.423 3.076 -6.961) 7.622 5.043 ( 1.121 -0.884 2.219) 2.638 5.102 ( 3.531 -7.873 -2.894) 9.101 5.444 ( -1.862 3.203 6.729) 7.682 5.583 ( 0.654 5.810 -3.824) 6.986 5.640 ( -1.849 3.477 3.762) 5.446 5.664 ( -1.847 0.577 0.215) 1.947 6.024 ( -1.903 -1.600 6.420) 6.884 6.092 ( 0.613 -2.119 -6.210) 6.590 6.383 ( -2.325 -0.025 6.844) 7.228 6.458 ( 0.464 -4.330 -2.929) 5.248 6.530 ( 0.001 -2.018 0.272) 2.036 6.649 ( 3.284 -5.278 -8.892) 10.849 7.186 ( 0.010 12.455 -0.165) 12.456 7.229 ( 1.411 8.884 -2.535) 9.346 7.546 ( -0.891 -7.270 3.885) 8.291 7.626 ( 2.035 -6.870 -5.851) 9.251 7.934 ( -1.031 0.979 4.861) 5.065 7.986 ( 0.520 -1.534 1.041) 1.926 8.051 ( -0.903 -1.038 0.901) 1.645 8.116 ( 1.590 -3.073 -4.336) 5.547 8.441 ( 0.206 0.281 -0.552) 0.652 8.478 ( 1.691 -0.752 -4.572) 4.932 9.044 ( -6.012 7.076 17.335) 19.665 9.259 ( -1.038 -0.018 3.126) 3.294 9.327 ( -3.470 3.227 8.794) 9.990 9.599 ( 2.486 -6.206 -5.166) 8.449 9.814 ( -6.573 8.044 16.545) 19.536 10.149 ( 3.163 -7.220 -7.812) 11.098 10.631 ( -2.100 5.005 4.801) 7.247 10.853 ( 4.608 -4.933 -13.258) 14.878 11.639 ( -2.777 1.087 0.554) 3.033 11.698 ( -1.131 -1.683 -0.889) 2.214 11.757 ( -0.921 1.332 -1.051) 1.930 11.803 ( -0.009 -0.902 -2.432) 2.594 12.374 ( 0.304 1.196 -0.812) 1.478 12.401 ( 0.954 1.835 -3.308) 3.901 12.432 ( 0.140 -1.003 -0.367) 1.078 12.467 ( 1.092 -0.949 -3.622) 3.901 15.966 ( 0.046 0.401 0.647) 0.762 15.982 ( 0.720 -0.339 -0.406) 0.894 18.162 ( -2.373 0.773 3.536) 4.328 18.215 ( -1.076 -1.722 -4.880) 5.285 18.685 ( 1.487 2.178 0.597) 2.703 18.719 ( 2.682 0.718 -2.515) 3.746 19.287 ( 0.889 -0.460 0.530) 1.132 19.305 ( 1.513 -0.913 -0.238) 1.783 19.427 ( -0.784 0.718 0.482) 1.167 19.449 ( -0.160 -0.077 1.198) 1.211 19.943 ( -6.290 0.560 -0.458) 6.331 19.997 ( -3.654 -1.959 -0.526) 4.180 20.261 ( -3.714 0.957 2.843) 4.775 20.279 ( -3.311 0.103 1.760) 3.751 20.644 ( 1.562 0.933 5.436) 5.732 20.685 ( 3.455 -0.821 2.296) 4.229 21.219 ( -3.143 1.617 10.885) 11.444 21.316 ( -1.594 -2.606 8.544) 9.074 21.496 ( 6.609 2.006 -18.077) 19.352 21.589 ( 7.615 -2.133 -19.004) 20.583 22.640 ( -0.738 -0.044 -1.076) 1.306 22.645 ( -0.861 -0.182 1.483) 1.724 22.828 ( 0.391 0.481 1.154) 1.310 22.831 ( 0.855 0.342 -0.833) 1.241 ======================= Grid point 175 (98/111) ======================= q-point: ( 0.25 0.25 -0.56) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 7.349 -0.023 2.552) 7.780 1.681 ( 2.141 -7.729 3.347) 8.691 1.828 ( 6.142 -0.171 0.364) 6.155 1.932 ( 4.201 -5.396 -1.272) 6.956 2.139 ( -2.607 4.350 4.484) 6.769 2.180 ( -1.812 0.995 4.659) 5.097 2.332 ( 0.718 0.311 -5.183) 5.242 2.440 ( 1.897 0.006 -2.123) 2.847 2.768 ( 1.529 3.101 8.602) 9.271 2.811 ( 3.945 6.563 1.815) 7.870 2.930 ( -2.730 -2.752 5.966) 7.114 3.069 ( -2.258 0.622 2.418) 3.366 3.132 ( -1.088 -0.345 1.350) 1.768 3.255 ( 0.303 -5.388 0.635) 5.433 3.521 ( 3.944 5.349 0.391) 6.657 3.715 ( 3.501 4.239 6.328) 8.383 3.765 ( 3.167 -0.622 -3.889) 5.054 3.796 ( 9.376 1.545 -2.634) 9.860 4.284 ( -1.118 -3.583 12.113) 12.681 4.420 ( 0.023 -3.960 -5.651) 6.901 4.775 ( -3.681 5.560 -4.986) 8.326 4.831 ( -2.408 -1.707 -3.147) 4.314 5.078 ( 2.113 0.077 -0.357) 2.144 5.158 ( 2.146 -4.514 0.132) 5.000 5.461 ( 0.269 -0.031 1.480) 1.505 5.555 ( 0.125 6.122 -6.083) 8.631 5.606 ( -3.821 -2.774 4.309) 6.392 5.655 ( -1.606 3.112 5.880) 6.844 6.017 ( -2.680 -1.600 4.586) 5.548 6.066 ( 1.389 -1.190 -6.372) 6.630 6.383 ( -3.217 -0.295 8.520) 9.112 6.455 ( 1.751 -3.194 -3.408) 4.988 6.544 ( 1.047 -1.851 -0.015) 2.127 6.652 ( 3.309 -4.433 -8.545) 10.179 7.184 ( 0.100 12.301 -0.738) 12.324 7.236 ( 0.996 7.943 -2.508) 8.389 7.552 ( -1.176 -7.210 3.462) 8.084 7.624 ( 1.882 -7.406 -5.678) 9.520 7.954 ( -0.344 1.722 4.329) 4.671 8.005 ( 0.798 -0.338 0.338) 0.930 8.039 ( -0.940 -2.046 1.133) 2.521 8.114 ( 1.539 -3.162 -4.659) 5.837 8.437 ( -0.252 0.351 -0.494) 0.657 8.476 ( 1.557 -1.066 -4.958) 5.305 9.046 ( -6.524 7.240 17.521) 20.049 9.261 ( -2.798 -1.450 8.060) 8.654 9.326 ( -1.576 4.994 4.560) 6.944 9.610 ( 2.376 -6.187 -5.065) 8.341 9.801 ( -6.464 8.209 15.718) 18.874 10.151 ( 2.673 -7.706 -7.879) 11.340 10.622 ( -2.069 5.243 4.089) 6.963 10.847 ( 4.531 -4.942 -13.553) 15.121 11.589 ( -2.330 1.326 0.155) 2.685 11.660 ( -1.833 -2.009 -0.945) 2.879 11.723 ( -1.751 1.436 -1.047) 2.495 11.771 ( -1.714 -0.912 -1.680) 2.567 12.376 ( 0.439 1.205 -0.840) 1.533 12.397 ( 0.875 1.835 -2.909) 3.549 12.434 ( 0.324 -1.033 -0.401) 1.155 12.464 ( 1.017 -0.973 -3.138) 3.439 15.975 ( 0.360 0.461 0.760) 0.959 15.996 ( 0.845 -0.446 -0.357) 1.019 18.124 ( -3.559 0.099 2.631) 4.427 18.150 ( -1.932 -1.081 -4.111) 4.669 18.725 ( 2.098 2.070 0.189) 2.953 18.757 ( 2.937 0.963 -2.636) 4.062 19.318 ( 1.941 -0.049 0.036) 1.942 19.341 ( 1.970 -1.152 0.465) 2.329 19.421 ( -0.346 0.799 0.969) 1.303 19.446 ( -1.412 -0.309 2.198) 2.631 19.816 ( -6.083 0.749 0.061) 6.130 19.894 ( -5.509 -3.014 -1.619) 6.485 20.203 ( -3.886 1.170 2.388) 4.709 20.220 ( -3.921 0.306 2.098) 4.457 20.733 ( 2.635 1.381 6.855) 7.472 20.786 ( 4.512 -0.845 2.752) 5.352 21.233 ( -3.346 1.746 10.584) 11.236 21.351 ( -0.947 -3.365 7.792) 8.540 21.498 ( 6.398 2.566 -17.124) 18.460 21.604 ( 7.200 -2.138 -17.646) 19.178 22.627 ( 0.367 0.124 -1.172) 1.234 22.637 ( -1.327 -0.253 2.598) 2.929 22.844 ( 0.052 0.464 1.657) 1.722 22.850 ( 1.758 0.137 -1.325) 2.205 ======================= Grid point 176 (99/111) ======================= q-point: ( 0.38 0.25 -0.56) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 2.476 -2.118 4.901) 5.885 1.778 ( 4.951 -1.977 0.706) 5.377 1.932 ( 4.127 -0.584 0.125) 4.170 2.028 ( 4.390 -3.207 -0.096) 5.437 2.126 ( -1.977 2.526 4.297) 5.362 2.191 ( 0.616 2.330 3.662) 4.383 2.342 ( 3.830 -0.013 -5.121) 6.395 2.418 ( -3.559 1.154 -0.556) 3.782 2.856 ( 0.911 2.376 9.929) 10.250 2.884 ( 0.775 -1.806 2.894) 3.498 2.950 ( 1.400 -1.888 4.898) 5.433 3.080 ( 1.179 3.371 1.674) 3.944 3.138 ( 2.229 -1.257 1.461) 2.946 3.234 ( -3.583 -7.196 1.226) 8.132 3.565 ( -0.018 5.069 1.759) 5.366 3.766 ( 1.220 0.035 -5.608) 5.739 3.849 ( 3.883 2.718 6.239) 7.835 3.924 ( 5.707 2.155 -3.848) 7.212 4.314 ( -5.972 5.381 5.790) 9.907 4.410 ( 2.677 1.927 3.722) 4.973 4.664 ( -0.312 -2.834 -11.544) 11.891 4.786 ( -1.409 -6.650 -0.268) 6.803 5.113 ( 0.114 3.352 2.540) 4.207 5.174 ( 0.300 -0.982 -1.111) 1.513 5.454 ( -1.096 1.323 -1.105) 2.043 5.514 ( 1.287 4.069 -8.486) 9.499 5.590 ( -2.783 -5.054 9.392) 11.022 5.665 ( -1.260 -0.733 4.793) 5.010 5.991 ( -3.180 -1.101 4.256) 5.426 6.055 ( 2.193 -1.184 -6.619) 7.072 6.380 ( -3.753 0.474 9.657) 10.372 6.465 ( -0.571 -3.878 1.124) 4.078 6.573 ( 3.745 -0.040 -4.353) 5.743 6.660 ( 4.482 -3.143 -10.202) 11.578 7.181 ( -0.013 11.120 -0.310) 11.124 7.231 ( 0.465 7.468 -2.819) 7.996 7.551 ( -1.285 -6.920 2.970) 7.640 7.619 ( 1.588 -7.471 -4.997) 9.127 7.976 ( -0.324 1.943 3.478) 3.997 8.015 ( 0.312 0.850 -0.727) 1.161 8.035 ( -0.728 -3.258 2.208) 4.002 8.111 ( 1.712 -2.980 -4.966) 6.039 8.426 ( -0.582 0.064 -0.212) 0.623 8.469 ( 1.354 -1.327 -4.872) 5.227 9.040 ( -7.136 7.411 18.533) 21.197 9.265 ( -3.694 -2.065 10.666) 11.475 9.330 ( -0.758 5.857 2.843) 6.555 9.619 ( 2.408 -5.886 -5.565) 8.451 9.789 ( -6.112 8.174 15.822) 18.828 10.142 ( 2.280 -7.750 -8.042) 11.399 10.611 ( -1.919 5.240 4.016) 6.875 10.838 ( 4.496 -4.985 -13.728) 15.281 11.560 ( -0.627 1.246 -0.036) 1.396 11.617 ( -1.716 -1.101 -1.527) 2.547 11.688 ( -0.883 0.540 -0.577) 1.185 11.723 ( -1.912 -0.861 -1.172) 2.403 12.379 ( 0.506 1.253 -1.050) 1.711 12.395 ( 0.986 1.799 -2.702) 3.393 12.438 ( 0.436 -1.042 -0.576) 1.268 12.463 ( 1.102 -1.024 -2.883) 3.252 15.988 ( 0.345 0.407 0.764) 0.932 16.007 ( 0.565 -0.441 -0.446) 0.844 18.072 ( -3.232 -0.081 2.135) 3.874 18.095 ( -0.946 -1.062 -2.897) 3.227 18.761 ( 1.337 2.177 0.103) 2.557 18.788 ( 1.842 1.279 -2.285) 3.201 19.359 ( 2.344 0.123 -0.349) 2.373 19.380 ( 1.181 -0.777 0.959) 1.708 19.421 ( -1.232 0.086 2.109) 2.444 19.426 ( -2.072 0.004 2.691) 3.396 19.725 ( -2.708 0.072 -0.750) 2.810 19.785 ( -3.677 -2.811 -2.680) 5.349 20.157 ( -1.906 1.004 1.193) 2.463 20.166 ( -2.797 0.468 1.681) 3.296 20.826 ( 1.529 1.352 7.015) 7.306 20.881 ( 3.023 -1.031 2.491) 4.051 21.238 ( -3.685 2.444 10.243) 11.157 21.381 ( -1.478 -3.789 6.987) 8.085 21.501 ( 6.108 2.820 -16.172) 17.515 21.617 ( 6.507 -2.362 -16.296) 17.705 22.630 ( -1.482 0.246 2.990) 3.346 22.638 ( 1.628 -0.181 -1.519) 2.234 22.852 ( -0.340 0.722 1.577) 1.767 22.876 ( 2.082 -0.364 -2.316) 3.136 ======================= Grid point 177 (100/111) ======================= q-point: (-0.50 0.25 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -1.557 1.477 7.597) 7.895 1.829 ( -0.322 0.495 -1.672) 1.774 1.993 ( 2.446 -7.019 0.285) 7.439 2.027 ( -2.152 -4.401 -2.487) 5.494 2.150 ( -1.713 4.170 7.676) 8.902 2.236 ( 1.553 2.206 -0.439) 2.733 2.309 ( -6.077 3.266 2.774) 7.436 2.391 ( 3.964 1.166 -5.846) 7.158 2.914 ( -0.138 -4.236 4.080) 5.883 2.936 ( 1.630 -3.929 2.638) 5.005 3.017 ( -0.378 1.725 9.913) 10.069 3.122 ( -0.375 -1.831 3.438) 3.913 3.149 ( -2.557 -3.684 -1.011) 4.597 3.214 ( 4.428 -3.081 -4.144) 6.803 3.571 ( -0.629 9.321 5.062) 10.625 3.718 ( -0.473 4.960 -9.017) 10.303 3.929 ( 0.547 1.871 2.662) 3.300 3.969 ( 1.554 1.748 -2.714) 3.583 4.258 ( -4.361 5.298 9.872) 12.022 4.440 ( 1.697 6.047 -6.192) 8.819 4.649 ( 0.130 -10.229 2.754) 10.594 4.753 ( 0.764 -6.353 -6.004) 8.775 5.085 ( -5.992 2.854 6.810) 9.509 5.191 ( 2.674 1.408 -2.685) 4.043 5.422 ( -1.890 2.497 1.031) 3.297 5.492 ( 2.326 2.673 -6.864) 7.725 5.613 ( -1.487 -5.311 7.945) 9.671 5.676 ( -0.345 -3.081 2.620) 4.059 5.955 ( -3.981 0.314 5.294) 6.631 6.056 ( 2.512 -1.801 -5.944) 6.700 6.376 ( -3.417 0.648 9.104) 9.746 6.436 ( -4.577 -3.836 5.400) 8.051 6.620 ( 5.062 1.179 -7.877) 9.438 6.684 ( 6.053 -2.527 -12.235) 13.882 7.180 ( -0.253 9.402 0.693) 9.431 7.219 ( 0.550 7.877 -2.922) 8.419 7.546 ( -1.235 -6.754 2.720) 7.385 7.617 ( 1.599 -7.082 -4.292) 8.434 7.988 ( -0.819 1.491 2.797) 3.273 8.013 ( 0.125 0.447 -0.617) 0.772 8.034 ( -1.125 -2.954 2.599) 4.092 8.109 ( 1.710 -2.499 -5.029) 5.870 8.415 ( -0.438 -0.355 0.174) 0.590 8.463 ( 1.375 -1.368 -4.317) 4.732 9.033 ( -7.441 7.421 19.495) 22.148 9.267 ( -3.581 -1.884 9.952) 10.743 9.334 ( -1.378 5.884 4.025) 7.261 9.622 ( 2.362 -5.583 -6.778) 9.093 9.789 ( -5.908 7.866 17.139) 19.761 10.128 ( 2.333 -7.272 -8.313) 11.288 10.606 ( -1.806 4.894 4.747) 7.053 10.828 ( 4.556 -4.991 -13.605) 15.191 11.566 ( 1.239 0.680 0.074) 1.415 11.579 ( -0.672 0.236 -1.807) 1.942 11.687 ( 1.128 -0.536 -0.422) 1.318 11.690 ( -0.353 -0.583 -1.257) 1.430 12.380 ( 0.524 1.308 -1.311) 1.924 12.397 ( 1.207 1.729 -2.774) 3.484 12.442 ( 0.414 -1.022 -0.813) 1.370 12.465 ( 1.251 -1.040 -2.996) 3.409 15.997 ( 0.018 0.256 0.684) 0.731 16.010 ( 0.078 -0.310 -0.590) 0.671 18.038 ( -1.794 0.307 2.221) 2.872 18.080 ( 1.223 -1.623 -1.998) 2.850 18.773 ( -0.346 2.375 0.405) 2.434 18.794 ( 0.258 1.413 -1.655) 2.192 19.379 ( -2.143 0.224 1.639) 2.707 19.393 ( -0.778 -0.398 1.715) 1.925 19.404 ( -0.386 0.343 2.548) 2.600 19.428 ( 0.723 -0.711 0.538) 1.148 19.707 ( 1.571 -0.800 -1.371) 2.233 19.729 ( 0.264 -1.785 -3.136) 3.618 20.142 ( -0.401 0.846 0.873) 1.280 20.154 ( 1.169 0.382 -0.118) 1.235 20.879 ( -1.110 0.932 6.001) 6.173 20.926 ( -0.073 -1.171 1.513) 1.915 21.234 ( -4.114 3.288 10.084) 11.377 21.389 ( -2.570 -3.653 6.296) 7.719 21.507 ( 6.114 2.664 -15.713) 17.070 21.626 ( 6.108 -2.739 -15.813) 17.172 22.621 ( -1.419 1.104 2.460) 3.047 22.663 ( 2.070 -0.847 -2.019) 3.013 22.854 ( -0.349 1.054 1.033) 1.516 22.896 ( 1.980 -0.819 -3.322) 3.954 ======================= Grid point 178 (101/111) ======================= q-point: (-0.38 0.25 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -6.985 3.467 5.260) 9.406 1.757 ( -4.971 -4.321 1.456) 6.746 1.934 ( -5.033 -2.945 -2.456) 6.327 2.022 ( -2.390 -6.866 -0.316) 7.277 2.125 ( -2.640 2.910 5.439) 6.710 2.207 ( -4.521 0.796 6.156) 7.679 2.286 ( 1.470 4.546 -3.249) 5.778 2.424 ( 1.698 0.872 -1.204) 2.257 2.902 ( -3.528 -1.195 1.045) 3.868 2.955 ( 1.156 -0.857 -0.059) 1.440 3.031 ( -3.358 -0.393 1.590) 3.736 3.061 ( -3.585 -1.314 1.947) 4.286 3.162 ( 1.436 -1.506 -2.146) 2.989 3.265 ( 3.456 -6.810 -3.197) 8.279 3.627 ( 0.719 9.315 4.481) 10.361 3.656 ( 0.061 7.284 -3.698) 8.169 3.896 ( -4.353 1.298 -1.405) 4.755 3.944 ( -1.873 0.709 -3.575) 4.098 4.269 ( -1.958 4.826 9.375) 10.725 4.476 ( 4.906 3.149 -0.512) 5.852 4.595 ( -4.869 -3.273 -1.951) 6.183 4.777 ( 3.822 -9.471 -2.393) 10.490 5.010 ( -6.722 -0.821 8.287) 10.702 5.208 ( -0.309 -1.495 -0.685) 1.673 5.399 ( -1.417 4.020 2.256) 4.823 5.517 ( 4.419 2.846 -4.879) 7.171 5.638 ( -0.999 -3.984 5.848) 7.147 5.686 ( -0.142 -1.974 1.064) 2.247 5.917 ( -4.265 2.595 7.223) 8.781 6.070 ( 2.923 -2.602 -5.022) 6.367 6.365 ( -4.076 1.551 5.639) 7.129 6.397 ( -2.657 -5.191 7.889) 9.810 6.646 ( 3.924 1.508 -9.485) 10.376 6.707 ( 4.760 -2.872 -11.779) 13.025 7.178 ( -0.456 8.129 0.809) 8.182 7.217 ( 1.007 9.295 -2.041) 9.570 7.541 ( -1.375 -6.970 2.881) 7.667 7.621 ( 1.852 -6.860 -3.945) 8.127 7.984 ( -1.582 1.095 2.724) 3.335 8.006 ( -1.079 -0.662 1.057) 1.649 8.034 ( -0.309 -2.103 1.685) 2.713 8.106 ( 1.628 -2.307 -5.032) 5.770 8.413 ( -0.014 -0.403 0.421) 0.583 8.463 ( 1.486 -1.113 -3.602) 4.052 9.028 ( -7.398 7.227 19.819) 22.355 9.266 ( -2.837 -0.988 7.308) 7.901 9.332 ( -2.767 5.020 7.033) 9.072 9.614 ( 2.083 -5.333 -7.726) 9.616 9.800 ( -6.042 7.391 18.473) 20.794 10.118 ( 2.740 -6.666 -8.325) 11.011 10.609 ( -1.707 4.439 5.614) 7.358 10.825 ( 4.955 -5.000 -13.272) 15.023 11.573 ( 1.624 0.868 -2.139) 2.822 11.603 ( 2.284 -0.283 0.195) 2.310 11.694 ( 1.822 0.036 -1.644) 2.454 11.719 ( 2.095 -0.835 -0.177) 2.262 12.381 ( 0.527 1.329 -1.475) 2.055 12.402 ( 1.389 1.604 -3.105) 3.760 12.442 ( 0.331 -0.919 -1.012) 1.406 12.468 ( 1.410 -0.974 -3.407) 3.814 15.997 ( -0.452 0.105 0.547) 0.717 16.003 ( -0.304 -0.138 -0.699) 0.775 18.037 ( -0.059 1.017 2.819) 2.997 18.112 ( 3.342 -2.485 -1.780) 4.529 18.754 ( -1.996 2.389 0.817) 3.218 18.776 ( -1.051 1.211 -1.073) 1.930 19.342 ( -2.348 0.709 1.389) 2.819 19.377 ( -1.964 -1.021 2.042) 3.012 19.410 ( -1.002 0.942 2.337) 2.712 19.452 ( 1.153 -1.009 -0.109) 1.536 19.752 ( 4.326 -0.744 -2.774) 5.193 19.765 ( 5.026 -1.377 -1.022) 5.311 20.166 ( 2.383 1.249 0.134) 2.694 20.195 ( 3.346 -0.154 -1.150) 3.541 20.863 ( -4.370 0.658 4.513) 6.317 20.900 ( -3.088 -1.046 0.144) 3.263 21.223 ( -4.316 3.377 9.952) 11.361 21.372 ( -3.693 -3.413 6.327) 8.081 21.515 ( 6.283 2.302 -16.152) 17.483 21.626 ( 5.394 -2.716 -15.966) 17.070 22.612 ( -0.811 1.837 1.403) 2.450 22.684 ( 1.652 -1.468 -2.542) 3.368 22.853 ( -0.297 1.273 0.219) 1.325 22.904 ( 1.378 -1.038 -3.831) 4.202 ======================= Grid point 179 (102/111) ======================= q-point: (-0.25 0.25 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -9.765 1.959 3.114) 10.435 1.685 ( -5.554 -5.657 4.072) 8.912 1.804 ( -7.333 -1.985 2.303) 7.939 1.925 ( -4.641 -5.249 -2.111) 7.318 2.132 ( -2.214 0.736 7.819) 8.159 2.210 ( 0.922 3.309 3.356) 4.803 2.280 ( 0.813 0.816 -3.437) 3.625 2.412 ( -2.624 -1.343 1.023) 3.120 2.819 ( -5.079 5.291 0.106) 7.335 2.932 ( -2.614 3.354 -4.314) 6.057 3.016 ( 2.353 -3.393 -0.726) 4.192 3.057 ( 2.446 -0.048 1.450) 2.844 3.152 ( -1.305 -1.111 -1.484) 2.267 3.269 ( -1.170 -7.186 -1.978) 7.544 3.571 ( -3.621 7.243 -4.161) 9.104 3.692 ( -1.798 8.711 5.827) 10.634 3.760 ( -6.584 -0.063 -3.503) 7.458 3.850 ( -3.687 2.369 -6.365) 7.728 4.303 ( -1.061 -0.115 7.087) 7.167 4.492 ( -1.652 -6.102 -6.306) 8.929 4.595 ( 3.754 5.501 7.506) 10.034 4.845 ( 4.108 -6.179 -0.290) 7.425 4.957 ( -4.691 -3.789 8.760) 10.635 5.169 ( -3.211 -6.137 0.519) 6.946 5.402 ( -0.539 6.065 3.508) 7.027 5.580 ( 5.211 3.501 -5.282) 8.204 5.656 ( -0.924 -1.884 4.392) 4.867 5.678 ( -1.250 1.006 0.539) 1.692 5.907 ( -2.169 3.506 8.357) 9.318 6.097 ( 3.086 -3.589 -4.231) 6.348 6.332 ( -2.719 1.227 5.570) 6.318 6.421 ( -0.463 -5.880 5.514) 8.074 6.638 ( 1.937 1.096 -8.703) 8.984 6.698 ( 2.803 -3.502 -11.163) 12.031 7.176 ( -0.235 8.357 0.695) 8.389 7.223 ( 0.803 10.627 -1.599) 10.777 7.534 ( -1.573 -7.313 3.428) 8.229 7.630 ( 1.909 -6.967 -4.192) 8.352 7.965 ( -2.619 1.001 3.556) 4.529 7.991 ( -1.375 -1.747 1.710) 2.805 8.045 ( 0.215 -1.388 1.217) 1.859 8.104 ( 1.797 -2.597 -4.879) 5.812 8.419 ( 0.335 -0.092 0.387) 0.520 8.468 ( 1.462 -0.717 -3.214) 3.603 9.026 ( -7.146 6.969 19.568) 21.967 9.262 ( -1.509 0.481 3.506) 3.847 9.329 ( -4.070 3.173 11.070) 12.214 9.598 ( 1.938 -5.237 -7.603) 9.433 9.813 ( -6.357 7.204 18.818) 21.128 10.118 ( 3.180 -6.321 -7.965) 10.654 10.618 ( -1.625 4.244 5.986) 7.516 10.833 ( 5.393 -5.058 -13.016) 14.970 11.609 ( 3.552 0.983 -2.527) 4.469 11.651 ( 2.244 -0.727 0.224) 2.370 11.730 ( 2.915 0.296 -1.997) 3.546 11.757 ( 1.629 -0.753 0.235) 1.810 12.380 ( 0.471 1.298 -1.456) 2.007 12.406 ( 1.443 1.525 -3.520) 4.099 12.440 ( 0.235 -0.784 -1.055) 1.336 12.471 ( 1.536 -0.895 -3.889) 4.276 15.988 ( -0.791 0.054 0.404) 0.890 15.990 ( -0.397 -0.044 -0.736) 0.838 18.072 ( 1.072 1.669 3.714) 4.211 18.175 ( 4.295 -3.205 -2.364) 5.857 18.714 ( -2.601 2.306 1.212) 3.682 18.741 ( -1.598 0.818 -0.994) 2.052 19.311 ( -1.619 0.767 0.604) 1.891 19.346 ( -2.058 -0.947 0.453) 2.310 19.408 ( -0.744 1.320 2.258) 2.719 19.464 ( 0.208 -1.263 -0.030) 1.280 19.843 ( 6.489 0.141 -2.174) 6.845 19.880 ( 6.814 -1.696 -0.319) 7.029 20.228 ( 3.641 1.164 -0.140) 3.826 20.256 ( 3.629 -0.256 -1.610) 3.978 20.783 ( -6.299 0.617 3.329) 7.151 20.816 ( -5.073 -0.820 -0.872) 5.212 21.210 ( -4.263 2.856 10.154) 11.377 21.340 ( -4.384 -2.968 7.047) 8.814 21.519 ( 6.108 1.715 -17.038) 18.181 21.608 ( 4.785 -2.287 -16.704) 17.526 22.613 ( 0.233 1.938 0.566) 2.033 22.690 ( 0.908 -1.616 -2.774) 3.336 22.844 ( -0.526 1.291 -0.454) 1.466 22.893 ( 0.209 -0.950 -3.548) 3.679 ======================= Grid point 180 (103/111) ======================= q-point: (-0.12 0.25 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -4.275 4.423 4.011) 7.344 1.563 ( -8.548 1.503 2.154) 8.943 1.734 ( -4.019 -10.966 8.556) 14.478 1.851 ( -0.870 -10.478 -2.704) 10.856 2.155 ( -0.392 3.106 5.304) 6.159 2.242 ( -0.278 1.371 -1.097) 1.778 2.291 ( 1.216 -1.844 5.232) 5.679 2.389 ( 0.248 -0.911 0.650) 1.146 2.724 ( -4.055 9.225 0.007) 10.077 2.839 ( -3.298 4.594 -5.491) 7.882 3.026 ( -1.338 -2.487 -1.717) 3.305 3.098 ( -2.789 -1.711 -0.273) 3.283 3.154 ( 5.593 -0.857 0.713) 5.703 3.230 ( -1.523 -4.358 1.099) 4.746 3.453 ( -4.986 8.267 -2.758) 10.041 3.567 ( -8.400 4.393 -0.589) 9.498 3.696 ( -2.158 5.408 -1.203) 5.945 3.754 ( -0.626 4.103 -5.446) 6.848 4.313 ( -2.661 -6.686 5.955) 9.341 4.441 ( 1.342 -11.298 -7.953) 13.882 4.717 ( 2.143 5.975 10.489) 12.260 4.916 ( 2.102 -4.361 0.870) 4.919 4.956 ( -1.071 -1.060 6.906) 7.068 5.113 ( -1.767 -7.328 -1.321) 7.653 5.421 ( -1.156 6.952 5.871) 9.173 5.620 ( 2.698 4.372 -7.359) 8.975 5.651 ( -2.382 3.572 4.639) 6.321 5.673 ( 0.548 -0.159 0.880) 1.049 5.946 ( -0.042 1.731 7.831) 8.021 6.121 ( 2.304 -4.028 -4.247) 6.291 6.341 ( -0.632 1.446 5.486) 5.708 6.447 ( -0.207 -7.122 3.508) 7.942 6.601 ( -0.147 0.431 -6.324) 6.340 6.670 ( 2.616 -4.310 -10.848) 11.963 7.180 ( -0.062 9.229 0.921) 9.275 7.223 ( 0.669 11.450 -2.153) 11.670 7.531 ( -1.428 -7.434 3.934) 8.531 7.633 ( 1.671 -6.877 -4.841) 8.574 7.940 ( -2.619 0.606 4.312) 5.081 7.979 ( -1.173 -2.019 1.801) 2.949 8.056 ( -0.023 -1.006 1.183) 1.553 8.107 ( 1.968 -2.909 -4.581) 5.772 8.429 ( 0.490 0.125 0.059) 0.509 8.473 ( 1.457 -0.476 -3.380) 3.711 9.028 ( -6.659 6.891 18.929) 21.217 9.258 ( -0.286 1.604 0.443) 1.689 9.332 ( -4.700 1.434 13.424) 14.295 9.586 ( 2.194 -5.420 -6.711) 8.901 9.819 ( -6.509 7.473 18.372) 20.874 10.127 ( 3.419 -6.356 -7.637) 10.507 10.628 ( -1.686 4.396 5.897) 7.546 10.846 ( 5.339 -5.081 -12.947) 14.898 11.664 ( 3.731 0.644 -2.615) 4.602 11.684 ( 0.620 -0.124 0.643) 0.902 11.772 ( 2.982 -0.252 -2.641) 3.991 11.779 ( 0.299 -0.460 0.473) 0.724 12.378 ( 0.339 1.251 -1.263) 1.810 12.408 ( 1.373 1.599 -3.774) 4.322 12.437 ( 0.115 -0.773 -0.851) 1.156 12.473 ( 1.523 -0.890 -4.155) 4.514 15.975 ( -0.787 0.128 0.368) 0.878 15.979 ( -0.163 -0.072 -0.695) 0.718 18.123 ( 0.980 1.902 4.368) 4.864 18.232 ( 3.422 -3.325 -3.472) 5.901 18.678 ( -1.869 2.329 1.307) 3.260 18.708 ( -0.806 0.547 -1.395) 1.702 19.288 ( -0.969 0.239 0.132) 1.007 19.310 ( -1.467 -0.693 -0.308) 1.651 19.415 ( 0.130 1.239 1.574) 2.008 19.461 ( -0.412 -0.854 -0.155) 0.960 19.954 ( 5.620 0.517 -1.168) 5.763 19.999 ( 5.064 -1.662 -0.786) 5.388 20.289 ( 2.238 0.634 0.191) 2.334 20.301 ( 1.662 0.024 -0.828) 1.857 20.682 ( -5.874 0.420 2.887) 6.559 20.706 ( -5.142 -0.585 -0.474) 5.197 21.203 ( -4.039 2.305 10.577) 11.554 21.308 ( -4.183 -2.412 8.181) 9.500 21.511 ( 5.896 1.324 -17.942) 18.932 21.585 ( 5.722 -2.015 -17.917) 18.916 22.628 ( 0.892 1.332 0.308) 1.633 22.682 ( 0.182 -1.189 -2.345) 2.635 22.828 ( -0.685 1.101 -0.434) 1.367 22.864 ( -0.828 -0.548 -2.520) 2.708 ======================= Grid point 181 (104/111) ======================= q-point: ( 0.00 -0.50 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -4.146 -6.018 7.183) 10.247 1.501 ( -4.146 6.018 7.183) 10.247 1.650 ( 3.359 -8.268 -2.656) 9.311 1.650 ( 3.359 8.268 -2.656) 9.311 2.182 ( -1.057 -1.122 1.687) 2.285 2.182 ( -1.057 1.122 1.687) 2.285 2.371 ( 0.402 -1.361 2.644) 3.000 2.371 ( 0.402 1.361 2.644) 3.000 2.792 ( -2.012 -1.531 -1.099) 2.757 2.792 ( -2.012 1.531 -1.099) 2.757 3.056 ( -1.887 -3.465 1.661) 4.281 3.056 ( -1.887 3.465 1.661) 4.281 3.171 ( 1.630 -4.069 0.344) 4.397 3.171 ( 1.630 4.069 0.344) 4.397 3.504 ( -0.719 -0.370 0.675) 1.054 3.504 ( -0.719 0.370 0.675) 1.054 3.739 ( -0.990 -3.506 -2.597) 4.474 3.739 ( -0.990 3.506 -2.597) 4.474 4.245 ( -1.055 -5.409 0.758) 5.563 4.245 ( -1.055 5.409 0.758) 5.563 4.850 ( 1.845 -1.046 2.590) 3.347 4.850 ( 1.845 1.046 2.590) 3.347 5.031 ( 0.832 -2.460 0.151) 2.601 5.031 ( 0.832 2.460 0.151) 2.601 5.593 ( -2.280 -8.551 4.757) 10.047 5.593 ( -2.280 8.551 4.757) 10.047 5.690 ( 1.045 -2.763 -2.281) 3.732 5.690 ( 1.045 2.763 -2.281) 3.732 6.027 ( 0.156 -4.682 -0.143) 4.687 6.027 ( 0.156 4.682 -0.143) 4.687 6.390 ( -1.347 -1.399 5.938) 6.248 6.390 ( -1.347 1.399 5.938) 6.248 6.573 ( 1.045 -2.791 -7.325) 7.908 6.573 ( 1.045 2.791 -7.325) 7.908 7.372 ( -0.338 -10.314 3.014) 10.751 7.372 ( -0.338 10.314 3.014) 10.751 7.448 ( 1.385 -12.749 -4.663) 13.646 7.448 ( 1.385 12.749 -4.663) 13.646 7.950 ( -0.981 -1.334 2.904) 3.343 7.950 ( -0.981 1.334 2.904) 3.343 8.059 ( 0.979 -1.932 -2.371) 3.212 8.059 ( 0.979 1.932 -2.371) 3.212 8.456 ( 0.841 -1.503 -1.787) 2.482 8.456 ( 0.841 1.503 -1.787) 2.482 9.174 ( -5.908 -7.565 16.937) 19.468 9.174 ( -5.908 7.565 16.937) 19.468 9.456 ( 1.479 -8.579 -3.828) 9.510 9.456 ( 1.479 8.579 -3.828) 9.510 9.985 ( -2.585 -9.911 7.654) 12.787 9.985 ( -2.585 9.911 7.654) 12.787 10.743 ( 2.866 -6.890 -7.202) 10.371 10.743 ( 2.866 6.890 -7.202) 10.371 11.693 ( -0.359 -0.821 -0.187) 0.916 11.693 ( -0.359 0.821 -0.187) 0.916 11.787 ( 1.093 -0.875 -1.877) 2.342 11.787 ( 1.093 0.875 -1.877) 2.342 12.403 ( 0.175 -1.625 -0.787) 1.815 12.403 ( 0.175 1.625 -0.787) 1.815 12.446 ( 1.199 -1.806 -3.831) 4.402 12.446 ( 1.199 1.806 -3.831) 4.402 15.971 ( -0.071 -0.321 -0.039) 0.331 15.971 ( -0.071 0.321 -0.039) 0.331 18.199 ( 0.405 -2.628 -0.006) 2.659 18.199 ( 0.405 2.628 -0.006) 2.659 18.697 ( 0.464 -0.853 -0.495) 1.089 18.697 ( 0.464 0.853 -0.495) 1.089 19.279 ( -0.057 -0.597 -0.635) 0.874 19.279 ( -0.057 0.597 -0.635) 0.874 19.444 ( -0.269 -0.568 0.842) 1.050 19.444 ( -0.269 0.568 0.842) 1.050 20.023 ( 0.096 -0.354 -0.870) 0.944 20.023 ( 0.096 0.354 -0.870) 0.944 20.310 ( -1.197 -0.400 1.355) 1.852 20.310 ( -1.197 0.400 1.355) 1.852 20.628 ( -1.672 -0.784 2.309) 2.957 20.628 ( -1.672 0.784 2.309) 2.957 21.250 ( -3.353 -2.905 9.752) 10.714 21.250 ( -3.353 2.905 9.752) 10.714 21.536 ( 6.734 -2.491 -18.557) 19.897 21.536 ( 6.734 2.491 -18.557) 19.897 22.654 ( -0.211 -0.600 -0.561) 0.848 22.654 ( -0.211 0.600 -0.561) 0.848 22.831 ( -0.221 -0.506 -0.564) 0.789 22.831 ( -0.221 0.506 -0.564) 0.789 ======================= Grid point 183 (105/111) ======================= q-point: ( 0.12 -0.50 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.601 -6.224 6.312) 8.885 1.494 ( -0.601 6.224 6.312) 8.885 1.739 ( 6.889 -6.014 -3.530) 9.802 1.739 ( 6.889 6.014 -3.530) 9.802 2.183 ( -0.820 -1.415 3.122) 3.524 2.183 ( -0.820 1.415 3.122) 3.524 2.381 ( 0.369 -1.324 -0.913) 1.650 2.381 ( 0.369 1.324 -0.913) 1.650 2.784 ( 0.331 -4.153 3.568) 5.485 2.784 ( 0.331 4.153 3.568) 5.485 3.012 ( -3.234 -7.661 2.310) 8.631 3.012 ( -3.234 7.661 2.310) 8.631 3.197 ( 0.359 -4.592 -0.967) 4.707 3.197 ( 0.359 4.592 -0.967) 4.707 3.566 ( 5.567 -6.732 1.393) 8.846 3.566 ( 5.567 6.732 1.393) 8.846 3.719 ( -0.214 -3.070 1.529) 3.436 3.719 ( -0.214 3.070 1.529) 3.436 4.256 ( 1.389 -7.385 1.924) 7.757 4.256 ( 1.389 7.385 1.924) 7.757 4.895 ( 1.170 -3.078 -2.491) 4.129 4.895 ( 1.170 3.078 -2.491) 4.129 5.035 ( 1.225 -0.448 -1.391) 1.907 5.035 ( 1.225 0.448 -1.391) 1.907 5.561 ( -3.598 -7.853 3.285) 9.242 5.561 ( -3.598 7.853 3.285) 9.242 5.691 ( -0.264 -2.896 -0.380) 2.933 5.691 ( -0.264 2.896 -0.380) 2.933 6.025 ( -0.130 -2.922 -0.418) 2.954 6.025 ( -0.130 2.922 -0.418) 2.954 6.397 ( -1.996 -2.095 5.652) 6.349 6.397 ( -1.996 2.095 5.652) 6.349 6.557 ( 1.959 -3.915 -5.593) 7.103 6.557 ( 1.959 3.915 -5.593) 7.103 7.387 ( -0.319 -10.108 2.450) 10.406 7.387 ( -0.319 10.108 2.450) 10.406 7.441 ( 1.456 -12.850 -5.038) 13.879 7.441 ( 1.456 12.850 -5.038) 13.879 7.961 ( 0.012 -1.403 2.841) 3.169 7.961 ( 0.012 1.403 2.841) 3.169 8.058 ( 0.733 -2.415 -2.763) 3.742 8.058 ( 0.733 2.415 -2.763) 3.742 8.458 ( 0.753 -1.367 -2.160) 2.665 8.458 ( 0.753 1.367 -2.160) 2.665 9.177 ( -6.073 -6.969 16.862) 19.229 9.177 ( -6.073 6.969 16.862) 19.229 9.461 ( 1.905 -8.832 -4.189) 9.959 9.461 ( 1.905 8.832 -4.189) 9.959 9.985 ( -2.843 -10.390 7.253) 12.986 9.985 ( -2.843 10.390 7.253) 12.986 10.743 ( 2.621 -6.894 -7.757) 10.703 10.743 ( 2.621 6.894 -7.757) 10.703 11.665 ( -2.144 -1.782 0.068) 2.789 11.665 ( -2.144 1.782 0.068) 2.789 11.782 ( -0.250 -1.384 -2.030) 2.469 11.782 ( -0.250 1.384 -2.030) 2.469 12.402 ( 0.232 -1.628 -0.657) 1.771 12.402 ( 0.232 1.628 -0.657) 1.771 12.442 ( 0.982 -1.835 -3.351) 3.945 12.442 ( 0.982 1.835 -3.351) 3.945 15.974 ( 0.372 -0.526 0.122) 0.656 15.974 ( 0.372 0.526 0.122) 0.656 18.183 ( -1.702 -1.582 -0.690) 2.424 18.183 ( -1.702 1.582 -0.690) 2.424 18.718 ( 2.117 -1.064 -1.009) 2.575 18.718 ( 2.117 1.064 -1.009) 2.575 19.288 ( 1.275 -0.655 -0.075) 1.435 19.288 ( 1.275 0.655 -0.075) 1.435 19.441 ( -0.612 -0.749 1.095) 1.461 19.441 ( -0.612 0.749 1.095) 1.461 19.963 ( -5.202 -1.632 -0.452) 5.471 19.963 ( -5.202 1.632 -0.452) 5.471 20.276 ( -3.412 -0.534 2.339) 4.171 20.276 ( -3.412 0.534 2.339) 4.171 20.665 ( 2.736 -1.337 3.739) 4.822 20.665 ( 2.736 1.337 3.739) 4.822 21.262 ( -2.523 -3.032 9.526) 10.311 21.262 ( -2.523 3.032 9.526) 10.311 21.542 ( 7.177 -2.891 -18.252) 19.825 21.542 ( 7.177 2.891 -18.252) 19.825 22.641 ( -0.834 -0.161 0.293) 0.899 22.641 ( -0.834 0.161 0.293) 0.899 22.834 ( 0.649 -0.107 -0.008) 0.658 22.834 ( 0.649 0.107 -0.008) 0.658 ======================= Grid point 185 (106/111) ======================= q-point: ( 0.25 -0.50 -0.56) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 4.178 -3.649 4.405) 7.083 1.571 ( 4.178 3.649 4.405) 7.083 1.856 ( 7.199 -3.122 -1.855) 8.063 1.856 ( 7.199 3.122 -1.855) 8.063 2.182 ( -2.220 -0.829 4.893) 5.437 2.182 ( -2.220 0.829 4.893) 5.437 2.384 ( 1.807 -4.590 -4.282) 6.532 2.384 ( 1.807 4.590 -4.282) 6.532 2.848 ( 1.467 -4.758 7.682) 9.154 2.848 ( 1.467 4.758 7.682) 9.154 2.970 ( -2.108 -8.319 0.742) 8.614 2.970 ( -2.108 8.319 0.742) 8.614 3.181 ( -1.182 -3.937 0.433) 4.133 3.181 ( -1.182 3.937 0.433) 4.133 3.656 ( 1.738 -8.785 0.203) 8.958 3.656 ( 1.738 8.785 0.203) 8.958 3.790 ( 5.339 -3.078 4.876) 7.858 3.790 ( 5.339 3.078 4.876) 7.858 4.327 ( 4.148 -6.229 2.251) 7.815 4.327 ( 4.148 6.229 2.251) 7.815 4.815 ( -5.626 -1.799 -5.121) 7.817 4.815 ( -5.626 1.799 -5.121) 7.817 5.091 ( 5.162 -2.162 -2.918) 6.311 5.091 ( 5.162 2.162 -2.918) 6.311 5.515 ( -3.096 -5.783 2.913) 7.177 5.515 ( -3.096 5.783 2.913) 7.177 5.668 ( -1.990 -3.208 0.062) 3.776 5.668 ( -1.990 3.208 0.062) 3.776 6.017 ( -0.235 -2.343 -0.796) 2.486 6.017 ( -0.235 2.343 -0.796) 2.486 6.402 ( -1.686 -2.553 6.069) 6.797 6.402 ( -1.686 2.553 6.069) 6.797 6.566 ( 2.872 -3.714 -5.177) 6.989 6.566 ( 2.872 3.714 -5.177) 6.989 7.385 ( -0.985 -6.688 0.132) 6.762 7.385 ( -0.985 6.688 0.132) 6.762 7.441 ( 1.715 -9.420 -3.327) 10.137 7.441 ( 1.715 9.420 -3.327) 10.137 7.985 ( 0.151 -1.198 2.715) 2.971 7.985 ( 0.151 1.198 2.715) 2.971 8.051 ( 0.892 -3.019 -3.171) 4.468 8.051 ( 0.892 3.019 -3.171) 4.468 8.453 ( 0.425 -1.357 -2.392) 2.782 8.453 ( 0.425 1.357 -2.392) 2.782 9.177 ( -6.608 -6.667 17.879) 20.194 9.177 ( -6.608 6.667 17.879) 20.194 9.470 ( 2.333 -9.052 -4.854) 10.533 9.470 ( 2.333 9.052 -4.854) 10.533 9.978 ( -3.059 -10.844 6.989) 13.258 9.978 ( -3.059 10.844 6.989) 13.258 10.736 ( 2.559 -6.959 -8.305) 11.133 10.736 ( 2.559 6.959 -8.305) 11.133 11.621 ( -2.061 -2.151 -0.288) 2.993 11.621 ( -2.061 2.151 -0.288) 2.993 11.749 ( -1.730 -1.426 -1.538) 2.718 11.749 ( -1.730 1.426 -1.538) 2.718 12.403 ( 0.393 -1.546 -0.741) 1.759 12.403 ( 0.393 1.546 -0.741) 1.759 12.438 ( 0.899 -1.777 -2.841) 3.469 12.438 ( 0.899 1.777 -2.841) 3.469 15.985 ( 0.586 -0.645 0.204) 0.895 15.985 ( 0.586 0.645 0.204) 0.895 18.132 ( -2.740 -0.802 -0.858) 2.981 18.132 ( -2.740 0.802 -0.858) 2.981 18.758 ( 2.619 -1.125 -1.256) 3.115 18.758 ( 2.619 1.125 -1.256) 3.115 19.323 ( 2.070 -0.733 0.235) 2.209 19.323 ( 2.070 0.733 0.235) 2.209 19.436 ( -1.010 -0.778 1.778) 2.188 19.436 ( -1.010 0.778 1.778) 2.188 19.843 ( -6.076 -2.341 -0.622) 6.541 19.843 ( -6.076 2.341 -0.622) 6.541 20.220 ( -3.822 -0.476 2.205) 4.438 20.220 ( -3.822 0.476 2.205) 4.438 20.762 ( 3.667 -1.674 4.635) 6.143 20.762 ( 3.667 1.674 4.635) 6.143 21.283 ( -2.083 -3.732 8.803) 9.786 21.283 ( -2.083 3.732 8.803) 9.786 21.553 ( 6.760 -3.288 -16.986) 18.575 21.553 ( 6.760 3.288 -16.986) 18.575 22.632 ( -0.519 -0.330 0.956) 1.137 22.632 ( -0.519 0.330 0.956) 1.137 22.850 ( 0.917 -0.200 -0.081) 0.942 22.850 ( 0.917 0.200 -0.081) 0.942 ======================= Grid point 187 (107/111) ======================= q-point: ( 0.38 -0.50 -0.56) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 4.718 -4.689 4.060) 7.793 1.693 ( 4.718 4.689 4.060) 7.793 1.968 ( 4.043 -3.532 -2.634) 5.980 1.968 ( 4.043 3.532 -2.634) 5.980 2.186 ( -0.360 -2.728 5.750) 6.375 2.186 ( -0.360 2.728 5.750) 6.375 2.383 ( 0.666 -3.919 -3.044) 5.007 2.383 ( 0.666 3.919 -3.044) 5.007 2.880 ( -2.839 -0.934 4.595) 5.482 2.880 ( -2.839 0.934 4.595) 5.482 2.993 ( 2.806 -7.442 4.079) 8.939 2.993 ( 2.806 7.442 4.079) 8.939 3.167 ( -0.648 -3.327 0.452) 3.419 3.167 ( -0.648 3.327 0.452) 3.419 3.679 ( 0.690 -7.122 1.962) 7.419 3.679 ( 0.690 7.122 1.962) 7.419 3.922 ( 4.603 -2.833 1.843) 5.710 3.922 ( 4.603 2.833 1.843) 5.710 4.420 ( 2.456 -3.459 2.270) 4.811 4.420 ( 2.456 3.459 2.270) 4.811 4.658 ( -5.145 -4.693 -5.315) 8.761 4.658 ( -5.145 4.693 -5.315) 8.761 5.159 ( 3.071 -1.256 -1.832) 3.790 5.159 ( 3.071 1.256 -1.832) 3.790 5.486 ( -2.052 -3.920 2.837) 5.256 5.486 ( -2.052 3.920 2.837) 5.256 5.624 ( -1.861 -4.553 -0.666) 4.964 5.624 ( -1.861 4.553 -0.666) 4.964 6.006 ( -0.360 -2.855 -0.761) 2.976 6.006 ( -0.360 2.855 -0.761) 2.976 6.410 ( -2.895 -2.835 8.018) 8.984 6.410 ( -2.895 2.835 8.018) 8.984 6.595 ( 4.760 -2.799 -7.527) 9.335 6.595 ( 4.760 2.799 -7.527) 9.335 7.358 ( -1.151 -3.657 -1.033) 3.970 7.358 ( -1.151 3.657 -1.033) 3.970 7.455 ( 1.503 -5.883 -2.121) 6.431 7.455 ( 1.503 5.883 -2.121) 6.431 7.999 ( -0.471 -0.825 2.077) 2.284 7.999 ( -0.471 0.825 2.077) 2.284 8.051 ( 1.218 -3.315 -2.824) 4.522 8.051 ( 1.218 3.315 -2.824) 4.522 8.442 ( 0.150 -1.546 -2.254) 2.738 8.442 ( 0.150 1.546 -2.254) 2.738 9.174 ( -7.103 -6.877 19.071) 21.481 9.174 ( -7.103 6.877 19.071) 21.481 9.481 ( 2.527 -9.140 -5.416) 10.921 9.481 ( 2.527 9.140 -5.416) 10.921 9.968 ( -3.022 -10.951 7.005) 13.346 9.968 ( -3.022 10.951 7.005) 13.346 10.726 ( 2.545 -7.017 -8.442) 11.269 10.726 ( 2.545 7.017 -8.442) 11.269 11.588 ( -0.900 -1.828 -0.654) 2.140 11.588 ( -0.900 1.828 -0.654) 2.140 11.704 ( -1.650 -1.130 -1.078) 2.271 11.704 ( -1.650 1.130 -1.078) 2.271 12.406 ( 0.483 -1.433 -0.933) 1.777 12.406 ( 0.483 1.433 -0.933) 1.777 12.437 ( 1.000 -1.662 -2.614) 3.255 12.437 ( 1.000 1.662 -2.614) 3.255 15.997 ( 0.442 -0.601 0.164) 0.764 15.997 ( 0.442 0.601 0.164) 0.764 18.077 ( -2.089 -0.700 -0.515) 2.263 18.077 ( -2.089 0.700 -0.515) 2.263 18.794 ( 1.731 -0.929 -1.098) 2.251 18.794 ( 1.731 0.929 -1.098) 2.251 19.366 ( 1.998 -0.635 0.210) 2.107 19.366 ( 1.998 0.635 0.210) 2.107 19.424 ( -1.953 -0.200 2.719) 3.353 19.424 ( -1.953 0.200 2.719) 3.353 19.740 ( -3.284 -1.775 -1.601) 4.062 19.740 ( -3.284 1.775 -1.601) 4.062 20.169 ( -2.393 -0.247 1.419) 2.793 20.169 ( -2.393 0.247 1.419) 2.793 20.856 ( 2.171 -1.745 4.633) 5.405 20.856 ( 2.171 1.745 4.633) 5.405 21.302 ( -2.207 -4.505 8.273) 9.675 21.302 ( -2.207 4.505 8.273) 9.675 21.561 ( 6.104 -3.577 -15.975) 17.472 21.561 ( 6.104 3.577 -15.975) 17.472 22.634 ( 0.002 -0.235 1.095) 1.120 22.634 ( 0.002 0.235 1.095) 1.120 22.866 ( 0.937 -0.728 -0.707) 1.381 22.866 ( 0.937 0.728 -0.707) 1.381 ======================= Grid point 189 (108/111) ======================= q-point: (-0.50 -0.50 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.731 -5.082 5.633) 7.622 1.791 ( 0.731 5.082 5.633) 7.622 1.946 ( -1.893 -3.207 -4.254) 5.654 1.946 ( -1.893 3.207 -4.254) 5.654 2.225 ( -1.967 -3.175 5.447) 6.605 2.225 ( -1.967 3.175 5.447) 6.605 2.377 ( 1.007 -3.147 -2.348) 4.053 2.377 ( 1.007 3.147 -2.348) 4.053 2.877 ( 0.565 -1.328 2.916) 3.253 2.877 ( 0.565 1.328 2.916) 3.253 3.058 ( -1.116 -3.144 6.209) 7.049 3.058 ( -1.116 3.144 6.209) 7.049 3.161 ( 1.442 -2.713 -3.299) 4.508 3.161 ( 1.442 2.713 -3.299) 4.508 3.713 ( 1.154 -5.297 1.420) 5.604 3.713 ( 1.154 5.297 1.420) 5.604 3.974 ( 0.348 -1.682 -1.175) 2.081 3.974 ( 0.348 1.682 -1.175) 2.081 4.421 ( -3.060 -12.067 3.895) 13.043 4.421 ( -3.060 12.067 3.895) 13.043 4.596 ( 1.274 -9.429 -3.764) 10.232 4.596 ( 1.274 9.429 -3.764) 10.232 5.170 ( -1.685 -4.269 0.428) 4.610 5.170 ( -1.685 4.269 0.428) 4.610 5.474 ( -1.374 -3.746 3.785) 5.499 5.474 ( -1.374 3.746 3.785) 5.499 5.605 ( 1.160 -4.182 -2.172) 4.853 5.605 ( 1.160 4.182 -2.172) 4.853 5.995 ( -0.254 -3.893 -0.246) 3.909 5.995 ( -0.254 3.893 -0.246) 3.909 6.396 ( -4.696 -2.005 9.021) 10.366 6.396 ( -4.696 2.005 9.021) 10.366 6.639 ( 5.711 -1.714 -9.812) 11.482 6.639 ( 5.711 1.714 -9.812) 11.482 7.334 ( -0.733 -3.752 -0.215) 3.830 7.334 ( -0.733 3.752 -0.215) 3.830 7.466 ( 1.171 -5.479 -2.232) 6.031 7.466 ( 1.171 5.479 -2.232) 6.031 7.998 ( -0.847 -0.847 1.665) 2.051 7.998 ( -0.847 0.847 1.665) 2.051 8.054 ( 0.861 -3.319 -2.262) 4.108 8.054 ( 0.861 3.319 -2.262) 4.108 8.431 ( 0.355 -1.819 -1.773) 2.565 8.431 ( 0.355 1.819 -1.773) 2.565 9.171 ( -7.342 -7.295 19.653) 22.212 9.171 ( -7.342 7.295 19.653) 22.212 9.488 ( 2.198 -9.090 -5.715) 10.960 9.488 ( 2.198 9.090 -5.715) 10.960 9.962 ( -2.803 -10.563 7.303) 13.144 9.962 ( -2.803 10.563 7.303) 13.144 10.717 ( 2.568 -6.938 -8.017) 10.909 10.717 ( 2.568 6.938 -8.017) 10.909 11.578 ( 0.355 -0.420 -0.893) 1.049 11.578 ( 0.355 0.420 -0.893) 1.049 11.682 ( 0.335 -0.113 -0.884) 0.952 11.682 ( 0.335 0.113 -0.884) 0.952 12.408 ( 0.470 -1.391 -1.115) 1.844 12.408 ( 0.470 1.391 -1.115) 1.844 12.440 ( 1.218 -1.571 -2.784) 3.421 12.440 ( 1.218 1.571 -2.784) 3.421 16.003 ( 0.047 -0.399 0.052) 0.405 16.003 ( 0.047 0.399 0.052) 0.405 18.051 ( -0.298 -1.286 0.025) 1.320 18.051 ( -0.298 1.286 0.025) 1.320 18.805 ( -0.009 -0.637 -0.657) 0.915 18.805 ( -0.009 0.637 -0.657) 0.915 19.385 ( -1.493 -0.455 1.736) 2.334 19.385 ( -1.493 0.455 1.736) 2.334 19.414 ( 0.140 -0.736 1.701) 1.859 19.414 ( 0.140 0.736 1.701) 1.859 19.703 ( 1.029 -0.674 -2.295) 2.604 19.703 ( 1.029 0.674 -2.295) 2.604 20.155 ( 0.306 -0.373 0.445) 0.656 20.155 ( 0.306 0.373 0.445) 0.656 20.901 ( -0.721 -1.453 3.782) 4.115 20.901 ( -0.721 1.453 3.782) 4.115 21.310 ( -3.054 -4.804 8.017) 9.832 21.310 ( -3.054 4.804 8.017) 9.832 21.566 ( 5.955 -3.662 -15.757) 17.238 21.566 ( 5.955 3.662 -15.757) 17.238 22.644 ( 0.251 -1.297 0.563) 1.436 22.644 ( 0.251 1.297 0.563) 1.436 22.876 ( 0.930 -1.281 -1.509) 2.187 22.876 ( 0.930 1.281 -1.509) 2.187 ======================= Grid point 191 (109/111) ======================= q-point: (-0.38 -0.50 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -7.595 -0.816 1.733) 7.833 1.738 ( -7.595 0.816 1.733) 7.833 1.913 ( -1.550 -3.146 0.080) 3.508 1.913 ( -1.550 3.146 0.080) 3.508 2.185 ( -4.724 -3.005 6.792) 8.802 2.185 ( -4.724 3.005 6.792) 8.802 2.375 ( 0.041 -5.137 -2.800) 5.850 2.375 ( 0.041 5.137 -2.800) 5.850 2.923 ( 2.163 -2.663 -0.345) 3.448 2.923 ( 2.163 2.663 -0.345) 3.448 3.041 ( -2.889 -0.990 2.953) 4.248 3.041 ( -2.889 0.990 2.953) 4.248 3.175 ( 1.593 -2.679 -2.848) 4.222 3.175 ( 1.593 2.679 -2.848) 4.222 3.728 ( 0.375 -0.864 -1.732) 1.971 3.728 ( 0.375 0.864 -1.732) 1.971 3.929 ( -3.943 -2.194 -0.717) 4.569 3.929 ( -3.943 2.194 -0.717) 4.569 4.409 ( -2.504 -10.288 5.389) 11.881 4.409 ( -2.504 10.288 5.389) 11.881 4.612 ( 2.984 -7.589 -1.664) 8.322 4.612 ( 2.984 7.589 -1.664) 8.322 5.105 ( -5.353 -8.386 2.187) 10.186 5.105 ( -5.353 8.386 2.187) 10.186 5.492 ( 0.118 -5.424 4.517) 7.060 5.492 ( 0.118 5.424 4.517) 7.060 5.631 ( 2.904 -3.410 -2.654) 5.207 5.631 ( 2.904 3.410 -2.654) 5.207 5.993 ( 0.025 -5.354 0.378) 5.367 5.993 ( 0.025 5.354 0.378) 5.367 6.367 ( -4.108 -1.081 8.016) 9.072 6.367 ( -4.108 1.081 8.016) 9.072 6.665 ( 4.137 -1.400 -10.356) 11.239 6.665 ( 4.137 1.400 -10.356) 11.239 7.329 ( -0.105 -5.241 1.191) 5.376 7.329 ( -0.105 5.241 1.191) 5.376 7.468 ( 0.857 -6.739 -2.699) 7.310 7.468 ( 0.857 6.739 -2.699) 7.310 7.991 ( -1.334 -0.831 2.283) 2.772 7.991 ( -1.334 0.831 2.283) 2.772 8.051 ( 0.595 -3.236 -2.363) 4.051 8.051 ( 0.595 3.236 -2.363) 4.051 8.432 ( 0.809 -1.975 -1.325) 2.513 8.432 ( 0.809 1.975 -1.325) 2.513 9.168 ( -7.307 -7.611 19.587) 22.248 9.168 ( -7.307 7.611 19.587) 22.248 9.484 ( 1.508 -8.924 -5.583) 10.634 9.484 ( 1.508 8.924 -5.583) 10.634 9.963 ( -2.593 -9.942 7.710) 12.846 9.963 ( -2.593 9.942 7.710) 12.846 10.714 ( 2.803 -6.803 -7.357) 10.405 10.714 ( 2.803 6.803 -7.357) 10.405 11.591 ( 1.872 -1.026 -1.263) 2.480 11.591 ( 1.872 1.026 -1.263) 2.480 11.702 ( 2.064 -0.824 -0.681) 2.324 11.702 ( 2.064 0.824 -0.681) 2.324 12.408 ( 0.425 -1.419 -1.238) 1.931 12.408 ( 0.425 1.419 -1.238) 1.931 12.444 ( 1.420 -1.547 -3.230) 3.852 12.444 ( 1.420 1.547 -3.230) 3.852 16.000 ( -0.369 -0.168 -0.072) 0.412 16.000 ( -0.369 0.168 -0.072) 0.412 18.067 ( 1.607 -2.263 0.530) 2.826 18.067 ( 1.607 2.263 0.530) 2.826 18.785 ( -1.636 -0.644 -0.199) 1.769 18.785 ( -1.636 0.644 -0.199) 1.769 19.358 ( -2.106 -1.009 1.624) 2.845 19.358 ( -2.106 1.009 1.624) 2.845 19.430 ( 0.065 -1.302 1.301) 1.842 19.430 ( 0.065 1.302 1.301) 1.842 19.747 ( 4.906 -0.419 -2.062) 5.338 19.747 ( 4.906 0.419 -2.062) 5.338 20.186 ( 2.771 -0.905 -0.348) 2.936 20.186 ( 2.771 0.905 -0.348) 2.936 20.879 ( -3.769 -1.149 2.530) 4.683 20.879 ( -3.769 1.149 2.530) 4.683 21.297 ( -3.873 -4.610 7.726) 9.795 21.297 ( -3.873 4.610 7.726) 9.795 21.568 ( 5.735 -3.428 -15.899) 17.245 21.568 ( 5.735 3.428 -15.899) 17.245 22.650 ( 0.380 -2.219 -0.418) 2.290 22.650 ( 0.380 2.219 -0.418) 2.290 22.879 ( 0.637 -1.563 -2.037) 2.646 22.879 ( 0.637 1.563 -2.037) 2.646 ======================= Grid point 193 (110/111) ======================= q-point: (-0.25 -0.50 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -7.059 -4.137 2.379) 8.521 1.600 ( -7.059 4.137 2.379) 8.521 1.824 ( -6.854 -4.115 -0.088) 7.995 1.824 ( -6.854 4.115 -0.088) 7.995 2.184 ( -1.332 -4.409 7.905) 9.149 2.184 ( -1.332 4.409 7.905) 9.149 2.337 ( -1.416 -4.988 -2.104) 5.596 2.337 ( -1.416 4.988 -2.104) 5.596 2.938 ( -1.330 -5.626 0.105) 5.782 2.938 ( -1.330 5.626 0.105) 5.782 3.010 ( 0.666 -4.464 -2.982) 5.410 3.010 ( 0.666 4.464 -2.982) 5.410 3.176 ( -0.090 -3.346 -0.666) 3.413 3.176 ( -0.090 3.346 -0.666) 3.413 3.697 ( -2.283 -5.797 -4.116) 7.467 3.697 ( -2.283 5.797 -4.116) 7.467 3.833 ( -4.707 -4.853 0.727) 6.799 3.833 ( -4.707 4.853 0.727) 6.799 4.360 ( -3.990 -7.193 -0.242) 8.229 4.360 ( -3.990 7.193 -0.242) 8.229 4.706 ( 3.969 -6.974 6.023) 10.033 4.706 ( 3.969 6.974 6.023) 10.033 5.021 ( -4.065 -8.192 2.111) 9.385 5.021 ( -4.065 8.192 2.111) 9.385 5.535 ( 0.748 -7.501 4.592) 8.827 5.535 ( 0.748 7.501 4.592) 8.827 5.667 ( 2.445 -2.337 -2.526) 4.222 5.667 ( 2.445 2.337 -2.526) 4.222 6.002 ( 0.522 -6.410 0.651) 6.464 6.002 ( 0.522 6.410 0.651) 6.464 6.357 ( -2.268 -2.425 6.516) 7.313 6.357 ( -2.268 2.425 6.516) 7.313 6.652 ( 2.028 -1.252 -9.765) 10.052 6.652 ( 2.028 1.252 -9.765) 10.052 7.342 ( -0.004 -7.741 2.357) 8.092 7.342 ( -0.004 7.741 2.357) 8.092 7.462 ( 0.794 -9.343 -3.299) 9.940 7.462 ( 0.794 9.343 -3.299) 9.940 7.977 ( -2.030 -0.236 2.959) 3.596 7.977 ( -2.030 0.236 2.959) 3.596 8.048 ( 0.991 -2.558 -2.489) 3.704 8.048 ( 0.991 2.558 -2.489) 3.704 8.441 ( 0.992 -1.916 -1.210) 2.474 8.441 ( 0.992 1.916 -1.210) 2.474 9.166 ( -6.941 -7.814 19.029) 21.710 9.166 ( -6.941 7.814 19.029) 21.710 9.471 ( 1.045 -8.700 -4.949) 10.063 9.471 ( 1.045 8.700 -4.949) 10.063 9.969 ( -2.472 -9.548 8.002) 12.701 9.969 ( -2.472 9.548 8.002) 12.701 10.721 ( 3.117 -6.794 -6.943) 10.202 10.721 ( 3.117 6.794 -6.943) 10.202 11.631 ( 3.068 -1.373 -1.580) 3.714 11.631 ( 3.068 1.373 -1.580) 3.714 11.741 ( 2.126 -0.893 -0.505) 2.360 11.741 ( 2.126 0.893 -0.505) 2.360 12.407 ( 0.375 -1.474 -1.231) 1.957 12.407 ( 0.375 1.474 -1.231) 1.957 12.448 ( 1.489 -1.593 -3.722) 4.314 12.448 ( 1.489 1.593 -3.722) 4.314 15.989 ( -0.582 -0.064 -0.161) 0.607 15.989 ( -0.582 0.064 -0.161) 0.607 18.115 ( 2.647 -3.096 0.806) 4.152 18.115 ( 2.647 3.096 0.806) 4.152 18.745 ( -2.216 -0.767 0.061) 2.346 18.745 ( -2.216 0.767 0.061) 2.346 19.328 ( -1.714 -1.029 0.178) 2.007 19.328 ( -1.714 1.029 0.178) 2.007 19.436 ( -0.273 -1.752 1.314) 2.207 19.436 ( -0.273 1.752 1.314) 2.207 19.853 ( 6.867 -1.088 -1.424) 7.097 19.853 ( 6.867 1.088 -1.424) 7.097 20.247 ( 3.472 -0.844 -0.649) 3.632 20.247 ( 3.472 0.844 -0.649) 3.632 20.798 ( -5.712 -1.021 1.429) 5.976 20.798 ( -5.712 1.021 1.429) 5.976 21.274 ( -4.167 -4.005 8.141) 9.984 21.274 ( -4.167 4.005 8.141) 9.984 21.560 ( 5.327 -2.766 -16.641) 17.690 21.560 ( 5.327 2.766 -16.641) 17.690 22.653 ( 0.553 -2.367 -1.160) 2.693 22.653 ( 0.553 2.367 -1.160) 2.693 22.870 ( -0.093 -1.501 -2.049) 2.542 22.870 ( -0.093 1.501 -2.049) 2.542 ======================= Grid point 195 (111/111) ======================= q-point: (-0.12 -0.50 0.44) 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -3.267 -5.941 4.481) 8.126 1.523 ( -3.267 5.941 4.481) 8.126 1.691 ( -5.808 -5.745 -0.016) 8.170 1.691 ( -5.808 5.745 -0.016) 8.170 2.197 ( -1.860 -3.286 3.342) 5.042 2.197 ( -1.860 3.286 3.342) 5.042 2.332 ( 0.994 -4.058 2.386) 4.811 2.332 ( 0.994 4.058 2.386) 4.811 2.867 ( -3.721 -4.168 -2.720) 6.214 2.867 ( -3.721 4.168 -2.720) 6.214 3.038 ( 2.656 -4.549 -1.154) 5.393 3.038 ( 2.656 4.549 -1.154) 5.393 3.165 ( -1.202 -2.633 1.557) 3.287 3.165 ( -1.202 2.633 1.557) 3.287 3.580 ( -5.704 -3.866 -2.254) 7.250 3.580 ( -5.704 3.866 -2.254) 7.250 3.779 ( -1.314 -2.753 -1.863) 3.574 3.779 ( -1.314 2.753 -1.863) 3.574 4.284 ( -2.764 -4.882 -1.178) 5.733 4.284 ( -2.764 4.882 -1.178) 5.733 4.800 ( 0.253 -5.266 7.686) 9.320 4.800 ( 0.253 5.266 7.686) 9.320 5.001 ( 1.012 -4.423 0.482) 4.563 5.001 ( 1.012 4.423 0.482) 4.563 5.579 ( -0.044 -8.594 5.065) 9.975 5.579 ( -0.044 8.594 5.065) 9.975 5.686 ( 1.493 -1.344 -2.900) 3.528 5.686 ( 1.493 1.344 -2.900) 3.528 6.019 ( 0.655 -6.186 0.290) 6.228 6.019 ( 0.655 6.186 0.290) 6.228 6.369 ( -1.103 -2.311 5.894) 6.426 6.369 ( -1.103 2.311 5.894) 6.426 6.613 ( 0.898 -1.510 -8.651) 8.828 6.613 ( 0.898 1.510 -8.651) 8.828 7.358 ( -0.354 -9.969 3.028) 10.425 7.358 ( -0.354 9.969 3.028) 10.425 7.454 ( 1.111 -11.959 -4.008) 12.661 7.454 ( 1.111 11.959 -4.008) 12.661 7.958 ( -1.950 -0.935 2.987) 3.688 7.958 ( -1.950 0.935 2.987) 3.688 8.054 ( 1.218 -1.880 -2.290) 3.204 8.054 ( 1.218 1.880 -2.290) 3.204 8.451 ( 0.898 -1.707 -1.422) 2.397 8.451 ( 0.898 1.707 -1.422) 2.397 9.168 ( -6.315 -7.889 17.983) 20.628 9.168 ( -6.315 7.889 17.983) 20.628 9.459 ( 1.114 -8.527 -4.163) 9.554 9.459 ( 1.114 8.527 -4.163) 9.554 9.978 ( -2.460 -9.583 7.981) 12.711 9.978 ( -2.460 9.583 7.981) 12.711 10.734 ( 3.139 -6.868 -6.911) 10.237 10.734 ( 3.139 6.868 -6.911) 10.237 11.677 ( 2.362 -0.663 -1.220) 2.740 11.677 ( 2.362 0.663 -1.220) 2.740 11.772 ( 1.473 -0.252 -0.895) 1.742 11.772 ( 1.473 0.252 -0.895) 1.742 12.405 ( 0.273 -1.555 -1.047) 1.895 12.405 ( 0.273 1.555 -1.047) 1.895 12.449 ( 1.403 -1.702 -3.982) 4.552 12.449 ( 1.403 1.702 -3.982) 4.552 15.977 ( -0.466 -0.134 -0.158) 0.510 15.977 ( -0.466 0.134 -0.158) 0.510 18.170 ( 2.195 -3.272 0.639) 3.992 18.170 ( 2.195 3.272 0.639) 3.992 18.708 ( -1.359 -0.782 -0.041) 1.568 18.708 ( -1.359 0.782 -0.041) 1.568 19.297 ( -1.166 -0.698 -0.708) 1.533 19.297 ( -1.166 0.698 -0.708) 1.533 19.440 ( -0.116 -1.428 1.005) 1.750 19.440 ( -0.116 1.428 1.005) 1.750 19.970 ( 5.451 -1.369 -1.059) 5.719 19.970 ( 5.451 1.369 -1.059) 5.719 20.299 ( 1.842 -0.392 -0.092) 1.885 20.299 ( 1.842 0.392 -0.092) 1.885 20.693 ( -5.556 -0.746 1.231) 5.739 20.693 ( -5.556 0.746 1.231) 5.739 21.255 ( -4.034 -3.302 9.137) 10.519 21.255 ( -4.034 3.302 9.137) 10.519 21.544 ( 5.733 -2.301 -17.764) 18.808 21.544 ( 5.733 2.301 -17.764) 18.808 22.656 ( 0.523 -1.644 -1.161) 2.079 22.656 ( 0.523 1.644 -1.161) 2.079 22.849 ( -0.688 -1.105 -1.459) 1.955 22.849 ( -0.688 1.105 -1.459) 1.955 =================== 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 3/24192 10.0 265.857 283.644 237.526 0.000 -48.922 0.000 3/24192 20.0 52.206 46.998 43.250 0.000 -12.396 0.000 3/24192 30.0 22.718 20.557 19.701 0.000 -5.481 0.000 3/24192 40.0 13.471 12.511 12.147 0.000 -3.235 0.000 3/24192 50.0 9.348 8.960 8.717 0.000 -2.250 0.000 3/24192 60.0 7.108 7.061 6.847 0.000 -1.737 0.000 3/24192 70.0 5.729 5.911 5.706 0.000 -1.438 0.000 3/24192 80.0 4.804 5.148 4.949 0.000 -1.248 0.000 3/24192 90.0 4.143 4.603 4.414 0.000 -1.120 0.000 3/24192 100.0 3.649 4.189 4.013 0.000 -1.026 0.000 3/24192 110.0 3.265 3.860 3.698 0.000 -0.953 0.000 3/24192 120.0 2.957 3.587 3.440 0.000 -0.894 0.000 3/24192 130.0 2.705 3.356 3.222 0.000 -0.844 0.000 3/24192 140.0 2.494 3.155 3.034 0.000 -0.800 0.000 3/24192 150.0 2.315 2.977 2.868 0.000 -0.761 0.000 3/24192 160.0 2.160 2.819 2.720 0.000 -0.725 0.000 3/24192 170.0 2.026 2.677 2.587 0.000 -0.693 0.000 3/24192 180.0 1.907 2.547 2.467 0.000 -0.664 0.000 3/24192 190.0 1.802 2.430 2.357 0.000 -0.637 0.000 3/24192 200.0 1.709 2.322 2.256 0.000 -0.611 0.000 3/24192 210.0 1.624 2.223 2.164 0.000 -0.588 0.000 3/24192 220.0 1.548 2.132 2.078 0.000 -0.566 0.000 3/24192 230.0 1.479 2.048 2.000 0.000 -0.546 0.000 3/24192 240.0 1.416 1.969 1.926 0.000 -0.527 0.000 3/24192 250.0 1.358 1.897 1.858 0.000 -0.509 0.000 3/24192 260.0 1.305 1.829 1.795 0.000 -0.493 0.000 3/24192 270.0 1.256 1.766 1.735 0.000 -0.477 0.000 3/24192 280.0 1.210 1.707 1.680 0.000 -0.463 0.000 3/24192 290.0 1.168 1.652 1.628 0.000 -0.449 0.000 3/24192 300.0 1.128 1.600 1.579 0.000 -0.436 0.000 3/24192 310.0 1.092 1.551 1.533 0.000 -0.424 0.000 3/24192 320.0 1.057 1.505 1.489 0.000 -0.412 0.000 3/24192 330.0 1.025 1.461 1.448 0.000 -0.401 0.000 3/24192 340.0 0.995 1.420 1.409 0.000 -0.391 0.000 3/24192 350.0 0.966 1.382 1.372 0.000 -0.381 0.000 3/24192 360.0 0.939 1.345 1.337 0.000 -0.371 0.000 3/24192 370.0 0.914 1.310 1.304 0.000 -0.363 0.000 3/24192 380.0 0.890 1.277 1.273 0.000 -0.354 0.000 3/24192 390.0 0.867 1.245 1.243 0.000 -0.346 0.000 3/24192 400.0 0.845 1.215 1.214 0.000 -0.338 0.000 3/24192 410.0 0.825 1.187 1.187 0.000 -0.331 0.000 3/24192 420.0 0.805 1.159 1.160 0.000 -0.324 0.000 3/24192 430.0 0.787 1.133 1.135 0.000 -0.317 0.000 3/24192 440.0 0.769 1.108 1.111 0.000 -0.310 0.000 3/24192 450.0 0.752 1.084 1.088 0.000 -0.304 0.000 3/24192 460.0 0.735 1.061 1.066 0.000 -0.298 0.000 3/24192 470.0 0.720 1.039 1.045 0.000 -0.292 0.000 3/24192 480.0 0.705 1.018 1.025 0.000 -0.287 0.000 3/24192 490.0 0.691 0.998 1.005 0.000 -0.281 0.000 3/24192 500.0 0.677 0.979 0.987 0.000 -0.276 0.000 3/24192 510.0 0.664 0.960 0.969 0.000 -0.271 0.000 3/24192 520.0 0.651 0.942 0.951 0.000 -0.267 0.000 3/24192 530.0 0.639 0.924 0.934 0.000 -0.262 0.000 3/24192 540.0 0.627 0.908 0.918 0.000 -0.257 0.000 3/24192 550.0 0.616 0.892 0.902 0.000 -0.253 0.000 3/24192 560.0 0.605 0.876 0.887 0.000 -0.249 0.000 3/24192 570.0 0.595 0.861 0.873 0.000 -0.245 0.000 3/24192 580.0 0.584 0.846 0.858 0.000 -0.241 0.000 3/24192 590.0 0.575 0.832 0.845 0.000 -0.237 0.000 3/24192 600.0 0.565 0.819 0.831 0.000 -0.234 0.000 3/24192 610.0 0.556 0.806 0.819 0.000 -0.230 0.000 3/24192 620.0 0.547 0.793 0.806 0.000 -0.227 0.000 3/24192 630.0 0.538 0.781 0.794 0.000 -0.223 0.000 3/24192 640.0 0.530 0.769 0.782 0.000 -0.220 0.000 3/24192 650.0 0.522 0.757 0.771 0.000 -0.217 0.000 3/24192 660.0 0.514 0.746 0.760 0.000 -0.214 0.000 3/24192 670.0 0.507 0.735 0.749 0.000 -0.211 0.000 3/24192 680.0 0.499 0.724 0.739 0.000 -0.208 0.000 3/24192 690.0 0.492 0.714 0.729 0.000 -0.205 0.000 3/24192 700.0 0.485 0.704 0.719 0.000 -0.202 0.000 3/24192 710.0 0.478 0.694 0.709 0.000 -0.200 0.000 3/24192 720.0 0.472 0.685 0.700 0.000 -0.197 0.000 3/24192 730.0 0.465 0.675 0.691 0.000 -0.195 0.000 3/24192 740.0 0.459 0.666 0.682 0.000 -0.192 0.000 3/24192 750.0 0.453 0.658 0.673 0.000 -0.190 0.000 3/24192 760.0 0.447 0.649 0.665 0.000 -0.187 0.000 3/24192 770.0 0.442 0.641 0.656 0.000 -0.185 0.000 3/24192 780.0 0.436 0.633 0.648 0.000 -0.183 0.000 3/24192 790.0 0.431 0.625 0.641 0.000 -0.181 0.000 3/24192 800.0 0.425 0.617 0.633 0.000 -0.179 0.000 3/24192 810.0 0.420 0.610 0.625 0.000 -0.177 0.000 3/24192 820.0 0.415 0.602 0.618 0.000 -0.174 0.000 3/24192 830.0 0.410 0.595 0.611 0.000 -0.172 0.000 3/24192 840.0 0.405 0.588 0.604 0.000 -0.171 0.000 3/24192 850.0 0.400 0.581 0.597 0.000 -0.169 0.000 3/24192 860.0 0.396 0.575 0.591 0.000 -0.167 0.000 3/24192 870.0 0.391 0.568 0.584 0.000 -0.165 0.000 3/24192 880.0 0.387 0.562 0.578 0.000 -0.163 0.000 3/24192 890.0 0.383 0.556 0.572 0.000 -0.161 0.000 3/24192 900.0 0.379 0.550 0.566 0.000 -0.160 0.000 3/24192 910.0 0.374 0.544 0.560 0.000 -0.158 0.000 3/24192 920.0 0.370 0.538 0.554 0.000 -0.157 0.000 3/24192 930.0 0.366 0.532 0.548 0.000 -0.155 0.000 3/24192 940.0 0.363 0.526 0.542 0.000 -0.153 0.000 3/24192 950.0 0.359 0.521 0.537 0.000 -0.152 0.000 3/24192 960.0 0.355 0.516 0.532 0.000 -0.150 0.000 3/24192 970.0 0.352 0.510 0.526 0.000 -0.149 0.000 3/24192 980.0 0.348 0.505 0.521 0.000 -0.147 0.000 3/24192 990.0 0.345 0.500 0.516 0.000 -0.146 0.000 3/24192 1000.0 0.341 0.495 0.511 0.000 -0.145 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m849.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:15:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|