----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:47:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.440915490019232 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): *1 B 0.22695255709098 0.75220506240222 0.17218921734745 10.811 2 B 0.77304744290902 0.25220506240222 0.32781078265255 10.811 3 B 0.77304744290902 0.24779493759778 0.82781078265255 10.811 4 B 0.22695255709098 0.74779493759778 0.67218921734745 10.811 *5 B 0.81062800352628 0.37125553225575 0.58917269859438 10.811 6 B 0.18937199647372 0.87125553225575 0.91082730140562 10.811 *7 B 0.48400324940183 0.59814634358364 0.27632800089674 10.811 8 B 0.51599675059817 0.09814634358364 0.22367199910326 10.811 9 B 0.51599675059817 0.40185365641636 0.72367199910326 10.811 10 B 0.48400324940183 0.90185365641636 0.77632800089674 10.811 *11 B 0.28954051341553 0.05436517744190 0.54521117320909 10.811 12 B 0.71045948658447 0.55436517744190 0.95478882679091 10.811 13 B 0.71045948658447 0.94563482255810 0.45478882679091 10.811 14 B 0.28954051341553 0.44563482255810 0.04521117320909 10.811 *15 B 0.85540028064010 0.53373251194736 0.25687358924154 10.811 16 B 0.14459971935990 0.03373251194736 0.24312641075846 10.811 17 B 0.14459971935990 0.46626748805264 0.74312641075846 10.811 18 B 0.85540028064010 0.96626748805264 0.75687358924154 10.811 19 B 0.18937199647372 0.62874446774425 0.41082730140562 10.811 20 B 0.81062800352628 0.12874446774425 0.08917269859438 10.811 *21 O 0.07020562567204 0.52353403324015 0.33968380793938 15.999 *22 O 0.75979652183441 0.83212680414216 0.45315747049232 15.999 23 O 0.75979652183441 0.66787319585784 0.95315747049232 15.999 24 O 0.24020347816559 0.16787319585784 0.54684252950768 15.999 *25 O 0.78001341353582 0.01414835608858 0.59731102324030 15.999 26 O 0.21998658646418 0.51414835608858 0.90268897675970 15.999 27 O 0.21998658646418 0.98585164391142 0.40268897675970 15.999 28 O 0.24020347816559 0.33212680414216 0.04684252950768 15.999 *29 O 0.41488526314092 0.80033776350540 0.66494291552465 15.999 30 O 0.58511473685908 0.30033776350540 0.83505708447535 15.999 31 O 0.92979437432796 0.02353403324015 0.16031619206062 15.999 32 O 0.41488526314092 0.69966223649460 0.16494291552465 15.999 *33 O 0.13743504380739 0.65857348375519 0.56898179944898 15.999 34 O 0.86256495619261 0.15857348375520 0.93101820055102 15.999 35 O 0.86256495619261 0.34142651624481 0.43101820055102 15.999 36 O 0.13743504380739 0.84142651624481 0.06898179944898 15.999 *37 O 0.11045072598096 0.77837508229281 0.78445462936172 15.999 38 O 0.88954927401904 0.27837508229281 0.71554537063828 15.999 39 O 0.88954927401904 0.22162491770719 0.21554537063828 15.999 40 O 0.11045072598096 0.72162491770719 0.28445462936172 15.999 41 O 0.92979437432796 0.47646596675985 0.66031619206062 15.999 42 O 0.07020562567204 0.97646596675985 0.83968380793938 15.999 *43 O 0.72298172994947 0.59940766909086 0.32735676169553 15.999 44 O 0.27701827005053 0.09940766909086 0.17264323830448 15.999 45 O 0.27701827005053 0.40059233090914 0.67264323830448 15.999 46 O 0.58511473685908 0.19966223649460 0.33505708447535 15.999 *47 O 0.40180205964357 0.48972930284621 0.19950971231566 15.999 48 O 0.59819794035644 0.98972930284621 0.30049028768434 15.999 49 O 0.59819794035644 0.51027069715379 0.80049028768434 15.999 50 O 0.40180205964357 0.01027069715379 0.69950971231566 15.999 *51 O 0.41845670798768 0.61301710658996 0.43381203381559 15.999 52 O 0.58154329201232 0.11301710658996 0.06618796618441 15.999 53 O 0.58154329201232 0.38698289341004 0.56618796618441 15.999 54 O 0.41845670798768 0.88698289341004 0.93381203381559 15.999 55 O 0.78001341353582 0.48585164391142 0.09731102324030 15.999 56 O 0.72298172994947 0.90059233090914 0.82735676169552 15.999 *57 La 0.24887543298329 0.32488819879564 0.35731738279012 138.905 58 La 0.75112456701671 0.82488819879564 0.14268261720988 138.905 59 La 0.75112456701671 0.67511180120436 0.64268261720988 138.905 60 La 0.24887543298329 0.17511180120436 0.85731738279012 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.440915490019232 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): *1 B 0.22695255709098 0.75220506240222 0.17218921734745 10.811 > 1 2 B 0.77304744290902 0.25220506240222 0.32781078265255 10.811 > 2 3 B 0.77304744290902 0.24779493759778 0.82781078265255 10.811 > 3 4 B 0.22695255709098 0.74779493759778 0.67218921734745 10.811 > 4 *5 B 0.81062800352628 0.37125553225575 0.58917269859438 10.811 > 5 6 B 0.18937199647372 0.87125553225575 0.91082730140562 10.811 > 6 *7 B 0.48400324940183 0.59814634358364 0.27632800089674 10.811 > 7 8 B 0.51599675059817 0.09814634358364 0.22367199910326 10.811 > 8 9 B 0.51599675059817 0.40185365641636 0.72367199910326 10.811 > 9 10 B 0.48400324940183 0.90185365641636 0.77632800089674 10.811 > 10 *11 B 0.28954051341553 0.05436517744190 0.54521117320909 10.811 > 11 12 B 0.71045948658447 0.55436517744190 0.95478882679091 10.811 > 12 13 B 0.71045948658447 0.94563482255810 0.45478882679091 10.811 > 13 14 B 0.28954051341553 0.44563482255810 0.04521117320909 10.811 > 14 *15 B 0.85540028064010 0.53373251194736 0.25687358924154 10.811 > 15 16 B 0.14459971935990 0.03373251194736 0.24312641075846 10.811 > 16 17 B 0.14459971935990 0.46626748805264 0.74312641075846 10.811 > 17 18 B 0.85540028064010 0.96626748805264 0.75687358924154 10.811 > 18 19 B 0.18937199647372 0.62874446774425 0.41082730140562 10.811 > 19 20 B 0.81062800352628 0.12874446774425 0.08917269859438 10.811 > 20 *21 O 0.07020562567204 0.52353403324015 0.33968380793938 15.999 > 21 *22 O 0.75979652183441 0.83212680414216 0.45315747049232 15.999 > 22 23 O 0.75979652183441 0.66787319585784 0.95315747049232 15.999 > 23 24 O 0.24020347816559 0.16787319585784 0.54684252950768 15.999 > 24 *25 O 0.78001341353582 0.01414835608858 0.59731102324030 15.999 > 25 26 O 0.21998658646418 0.51414835608858 0.90268897675970 15.999 > 26 27 O 0.21998658646418 0.98585164391142 0.40268897675970 15.999 > 27 28 O 0.24020347816559 0.33212680414216 0.04684252950768 15.999 > 28 *29 O 0.41488526314092 0.80033776350540 0.66494291552465 15.999 > 29 30 O 0.58511473685908 0.30033776350540 0.83505708447535 15.999 > 30 31 O 0.92979437432796 0.02353403324015 0.16031619206062 15.999 > 31 32 O 0.41488526314092 0.69966223649460 0.16494291552465 15.999 > 32 *33 O 0.13743504380739 0.65857348375519 0.56898179944898 15.999 > 33 34 O 0.86256495619261 0.15857348375520 0.93101820055102 15.999 > 34 35 O 0.86256495619261 0.34142651624481 0.43101820055102 15.999 > 35 36 O 0.13743504380739 0.84142651624481 0.06898179944898 15.999 > 36 *37 O 0.11045072598096 0.77837508229281 0.78445462936172 15.999 > 37 38 O 0.88954927401904 0.27837508229281 0.71554537063828 15.999 > 38 39 O 0.88954927401904 0.22162491770719 0.21554537063828 15.999 > 39 40 O 0.11045072598096 0.72162491770719 0.28445462936172 15.999 > 40 41 O 0.92979437432796 0.47646596675985 0.66031619206062 15.999 > 41 42 O 0.07020562567204 0.97646596675985 0.83968380793938 15.999 > 42 *43 O 0.72298172994947 0.59940766909086 0.32735676169553 15.999 > 43 44 O 0.27701827005053 0.09940766909086 0.17264323830448 15.999 > 44 45 O 0.27701827005053 0.40059233090914 0.67264323830448 15.999 > 45 46 O 0.58511473685908 0.19966223649460 0.33505708447535 15.999 > 46 *47 O 0.40180205964357 0.48972930284621 0.19950971231566 15.999 > 47 48 O 0.59819794035644 0.98972930284621 0.30049028768434 15.999 > 48 49 O 0.59819794035644 0.51027069715379 0.80049028768434 15.999 > 49 50 O 0.40180205964357 0.01027069715379 0.69950971231566 15.999 > 50 *51 O 0.41845670798768 0.61301710658996 0.43381203381559 15.999 > 51 52 O 0.58154329201232 0.11301710658996 0.06618796618441 15.999 > 52 53 O 0.58154329201232 0.38698289341004 0.56618796618441 15.999 > 53 54 O 0.41845670798768 0.88698289341004 0.93381203381559 15.999 > 54 55 O 0.78001341353582 0.48585164391142 0.09731102324030 15.999 > 55 56 O 0.72298172994947 0.90059233090914 0.82735676169552 15.999 > 56 *57 La 0.24887543298329 0.32488819879564 0.35731738279012 138.905 > 57 58 La 0.75112456701671 0.82488819879564 0.14268261720988 138.905 > 58 59 La 0.75112456701671 0.67511180120436 0.64268261720988 138.905 > 59 60 La 0.24887543298329 0.17511180120436 0.85731738279012 138.905 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.881830980038464 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): *1 B 0.11347627854549 0.75220506240222 0.17218921734745 10.811 > 1 2 B 0.61347627854549 0.75220506240222 0.17218921734745 10.811 > 1 3 B 0.38652372145451 0.25220506240222 0.32781078265255 10.811 > 2 4 B 0.88652372145451 0.25220506240222 0.32781078265255 10.811 > 2 5 B 0.38652372145451 0.24779493759778 0.82781078265255 10.811 > 3 6 B 0.88652372145451 0.24779493759778 0.82781078265255 10.811 > 3 7 B 0.11347627854549 0.74779493759778 0.67218921734745 10.811 > 4 8 B 0.61347627854549 0.74779493759778 0.67218921734745 10.811 > 4 *9 B 0.40531400176314 0.37125553225575 0.58917269859438 10.811 > 5 10 B 0.90531400176314 0.37125553225575 0.58917269859438 10.811 > 5 11 B 0.09468599823686 0.87125553225575 0.91082730140562 10.811 > 6 12 B 0.59468599823686 0.87125553225575 0.91082730140562 10.811 > 6 *13 B 0.24200162470092 0.59814634358364 0.27632800089674 10.811 > 7 14 B 0.74200162470092 0.59814634358364 0.27632800089674 10.811 > 7 15 B 0.25799837529908 0.09814634358364 0.22367199910326 10.811 > 8 16 B 0.75799837529908 0.09814634358364 0.22367199910326 10.811 > 8 17 B 0.25799837529908 0.40185365641636 0.72367199910326 10.811 > 9 18 B 0.75799837529908 0.40185365641636 0.72367199910326 10.811 > 9 19 B 0.24200162470092 0.90185365641636 0.77632800089674 10.811 > 10 20 B 0.74200162470092 0.90185365641636 0.77632800089674 10.811 > 10 *21 B 0.14477025670776 0.05436517744190 0.54521117320909 10.811 > 11 22 B 0.64477025670776 0.05436517744190 0.54521117320909 10.811 > 11 23 B 0.35522974329224 0.55436517744190 0.95478882679091 10.811 > 12 24 B 0.85522974329224 0.55436517744190 0.95478882679091 10.811 > 12 25 B 0.35522974329224 0.94563482255810 0.45478882679091 10.811 > 13 26 B 0.85522974329224 0.94563482255810 0.45478882679091 10.811 > 13 27 B 0.14477025670776 0.44563482255810 0.04521117320909 10.811 > 14 28 B 0.64477025670776 0.44563482255810 0.04521117320909 10.811 > 14 *29 B 0.42770014032005 0.53373251194736 0.25687358924154 10.811 > 15 30 B 0.92770014032005 0.53373251194736 0.25687358924154 10.811 > 15 31 B 0.07229985967995 0.03373251194736 0.24312641075846 10.811 > 16 32 B 0.57229985967995 0.03373251194736 0.24312641075846 10.811 > 16 33 B 0.07229985967995 0.46626748805264 0.74312641075846 10.811 > 17 34 B 0.57229985967995 0.46626748805264 0.74312641075846 10.811 > 17 35 B 0.42770014032005 0.96626748805264 0.75687358924154 10.811 > 18 36 B 0.92770014032005 0.96626748805264 0.75687358924154 10.811 > 18 37 B 0.09468599823686 0.62874446774425 0.41082730140562 10.811 > 19 38 B 0.59468599823686 0.62874446774425 0.41082730140562 10.811 > 19 39 B 0.40531400176314 0.12874446774425 0.08917269859438 10.811 > 20 40 B 0.90531400176314 0.12874446774425 0.08917269859438 10.811 > 20 *41 O 0.03510281283602 0.52353403324015 0.33968380793938 15.999 > 21 42 O 0.53510281283602 0.52353403324015 0.33968380793938 15.999 > 21 *43 O 0.37989826091721 0.83212680414216 0.45315747049232 15.999 > 22 44 O 0.87989826091721 0.83212680414216 0.45315747049232 15.999 > 22 45 O 0.37989826091721 0.66787319585784 0.95315747049232 15.999 > 23 46 O 0.87989826091721 0.66787319585784 0.95315747049232 15.999 > 23 47 O 0.12010173908279 0.16787319585784 0.54684252950768 15.999 > 24 48 O 0.62010173908279 0.16787319585784 0.54684252950768 15.999 > 24 *49 O 0.39000670676791 0.01414835608858 0.59731102324030 15.999 > 25 50 O 0.89000670676791 0.01414835608858 0.59731102324030 15.999 > 25 51 O 0.10999329323209 0.51414835608858 0.90268897675970 15.999 > 26 52 O 0.60999329323209 0.51414835608858 0.90268897675970 15.999 > 26 53 O 0.10999329323209 0.98585164391142 0.40268897675970 15.999 > 27 54 O 0.60999329323209 0.98585164391142 0.40268897675970 15.999 > 27 55 O 0.12010173908279 0.33212680414216 0.04684252950768 15.999 > 28 56 O 0.62010173908279 0.33212680414216 0.04684252950768 15.999 > 28 *57 O 0.20744263157046 0.80033776350540 0.66494291552465 15.999 > 29 58 O 0.70744263157046 0.80033776350540 0.66494291552465 15.999 > 29 59 O 0.29255736842954 0.30033776350540 0.83505708447535 15.999 > 30 60 O 0.79255736842954 0.30033776350540 0.83505708447535 15.999 > 30 61 O 0.46489718716398 0.02353403324015 0.16031619206062 15.999 > 31 62 O 0.96489718716398 0.02353403324015 0.16031619206062 15.999 > 31 63 O 0.20744263157046 0.69966223649460 0.16494291552465 15.999 > 32 64 O 0.70744263157046 0.69966223649460 0.16494291552465 15.999 > 32 *65 O 0.06871752190369 0.65857348375519 0.56898179944898 15.999 > 33 66 O 0.56871752190369 0.65857348375519 0.56898179944898 15.999 > 33 67 O 0.43128247809631 0.15857348375520 0.93101820055102 15.999 > 34 68 O 0.93128247809631 0.15857348375520 0.93101820055102 15.999 > 34 69 O 0.43128247809631 0.34142651624481 0.43101820055102 15.999 > 35 70 O 0.93128247809631 0.34142651624481 0.43101820055102 15.999 > 35 71 O 0.06871752190369 0.84142651624481 0.06898179944898 15.999 > 36 72 O 0.56871752190369 0.84142651624481 0.06898179944898 15.999 > 36 *73 O 0.05522536299048 0.77837508229281 0.78445462936172 15.999 > 37 74 O 0.55522536299048 0.77837508229281 0.78445462936172 15.999 > 37 75 O 0.44477463700952 0.27837508229281 0.71554537063828 15.999 > 38 76 O 0.94477463700952 0.27837508229281 0.71554537063828 15.999 > 38 77 O 0.44477463700952 0.22162491770719 0.21554537063828 15.999 > 39 78 O 0.94477463700952 0.22162491770719 0.21554537063828 15.999 > 39 79 O 0.05522536299048 0.72162491770719 0.28445462936172 15.999 > 40 80 O 0.55522536299048 0.72162491770719 0.28445462936172 15.999 > 40 81 O 0.46489718716398 0.47646596675985 0.66031619206062 15.999 > 41 82 O 0.96489718716398 0.47646596675985 0.66031619206062 15.999 > 41 83 O 0.03510281283602 0.97646596675985 0.83968380793938 15.999 > 42 84 O 0.53510281283602 0.97646596675985 0.83968380793938 15.999 > 42 *85 O 0.36149086497474 0.59940766909086 0.32735676169553 15.999 > 43 86 O 0.86149086497474 0.59940766909086 0.32735676169553 15.999 > 43 87 O 0.13850913502526 0.09940766909086 0.17264323830448 15.999 > 44 88 O 0.63850913502526 0.09940766909086 0.17264323830448 15.999 > 44 89 O 0.13850913502526 0.40059233090914 0.67264323830448 15.999 > 45 90 O 0.63850913502526 0.40059233090914 0.67264323830448 15.999 > 45 91 O 0.29255736842954 0.19966223649460 0.33505708447535 15.999 > 46 92 O 0.79255736842954 0.19966223649460 0.33505708447535 15.999 > 46 *93 O 0.20090102982178 0.48972930284621 0.19950971231566 15.999 > 47 94 O 0.70090102982178 0.48972930284621 0.19950971231566 15.999 > 47 95 O 0.29909897017822 0.98972930284621 0.30049028768434 15.999 > 48 96 O 0.79909897017822 0.98972930284621 0.30049028768434 15.999 > 48 97 O 0.29909897017822 0.51027069715379 0.80049028768434 15.999 > 49 98 O 0.79909897017822 0.51027069715379 0.80049028768434 15.999 > 49 99 O 0.20090102982178 0.01027069715379 0.69950971231566 15.999 > 50 100 O 0.70090102982178 0.01027069715379 0.69950971231566 15.999 > 50 *101 O 0.20922835399384 0.61301710658996 0.43381203381559 15.999 > 51 102 O 0.70922835399384 0.61301710658996 0.43381203381559 15.999 > 51 103 O 0.29077164600616 0.11301710658996 0.06618796618441 15.999 > 52 104 O 0.79077164600616 0.11301710658996 0.06618796618441 15.999 > 52 105 O 0.29077164600616 0.38698289341004 0.56618796618441 15.999 > 53 106 O 0.79077164600616 0.38698289341004 0.56618796618441 15.999 > 53 107 O 0.20922835399384 0.88698289341004 0.93381203381559 15.999 > 54 108 O 0.70922835399384 0.88698289341004 0.93381203381559 15.999 > 54 109 O 0.39000670676791 0.48585164391142 0.09731102324030 15.999 > 55 110 O 0.89000670676791 0.48585164391142 0.09731102324030 15.999 > 55 111 O 0.36149086497474 0.90059233090914 0.82735676169552 15.999 > 56 112 O 0.86149086497474 0.90059233090914 0.82735676169552 15.999 > 56 *113 La 0.12443771649165 0.32488819879564 0.35731738279012 138.905 > 57 114 La 0.62443771649165 0.32488819879564 0.35731738279012 138.905 > 57 115 La 0.37556228350836 0.82488819879564 0.14268261720988 138.905 > 58 116 La 0.87556228350835 0.82488819879564 0.14268261720988 138.905 > 58 117 La 0.37556228350836 0.67511180120436 0.64268261720988 138.905 > 59 118 La 0.87556228350835 0.67511180120436 0.64268261720988 138.905 > 59 119 La 0.12443771649165 0.17511180120436 0.85731738279012 138.905 > 60 120 La 0.62443771649165 0.17511180120436 0.85731738279012 138.905 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1472769 0.0000000 -0.0019437 0.0000000 3.1719728 0.0000000 -0.0019375 0.0000000 3.2631198 -------------------------- Born effective charges -------------------------- 1 B 2.5479500 -0.5335764 -0.4014254 -0.4802177 1.8754246 -0.8345906 -0.2231070 -0.8993728 1.7925071 2 B 2.5479500 0.5335764 -0.4014254 0.4802177 1.8754246 0.8345906 -0.2231070 0.8993728 1.7925071 3 B 2.5479500 -0.5335764 -0.4014254 -0.4802177 1.8754246 -0.8345906 -0.2231070 -0.8993728 1.7925071 4 B 2.5479500 0.5335764 -0.4014254 0.4802177 1.8754246 0.8345906 -0.2231070 0.8993728 1.7925071 5 B 2.5767562 0.1705281 -0.0230012 0.0915263 2.3902483 0.1890271 -0.0752053 -0.0204804 2.6975036 6 B 2.5767562 -0.1705281 -0.0230012 -0.0915263 2.3902483 -0.1890271 -0.0752053 0.0204804 2.6975036 7 B 2.4697429 0.0169117 0.1973656 -0.0152048 2.7904921 0.1988339 -0.0777279 0.2055686 2.2532736 8 B 2.4697429 -0.0169117 0.1973656 0.0152048 2.7904921 -0.1988339 -0.0777279 -0.2055686 2.2532736 9 B 2.4697429 0.0169117 0.1973656 -0.0152048 2.7904921 0.1988339 -0.0777279 0.2055686 2.2532736 10 B 2.4697429 -0.0169117 0.1973656 0.0152048 2.7904921 -0.1988339 -0.0777279 -0.2055686 2.2532736 11 B 0.9524017 -0.3101788 0.3884432 -0.5141381 2.6712086 -0.1326108 0.5185746 0.3012709 2.9061355 12 B 0.9524017 0.3101788 0.3884432 0.5141381 2.6712086 0.1326108 0.5185746 -0.3012709 2.9061355 13 B 0.9524017 -0.3101788 0.3884432 -0.5141381 2.6712086 -0.1326108 0.5185746 0.3012709 2.9061355 14 B 0.9524017 0.3101788 0.3884432 0.5141381 2.6712086 0.1326108 0.5185746 -0.3012709 2.9061355 15 B 2.8068848 -0.5295194 0.2899671 -0.5052400 1.6269941 0.1432880 0.3431705 0.4827742 2.6090028 16 B 2.8068848 0.5295194 0.2899671 0.5052400 1.6269941 -0.1432880 0.3431705 -0.4827742 2.6090028 17 B 2.8068848 -0.5295194 0.2899671 -0.5052400 1.6269941 0.1432880 0.3431705 0.4827742 2.6090028 18 B 2.8068848 0.5295194 0.2899671 0.5052400 1.6269941 -0.1432880 0.3431705 -0.4827742 2.6090028 19 B 2.5767562 0.1705281 -0.0230012 0.0915263 2.3902483 0.1890271 -0.0752053 -0.0204804 2.6975036 20 B 2.5767562 -0.1705281 -0.0230012 -0.0915263 2.3902483 -0.1890271 -0.0752053 0.0204804 2.6975036 21 O -2.1138850 -0.0491873 -0.6481248 -0.0021269 -1.9401542 -0.1515139 -0.5778451 -0.0792599 -1.3678383 22 O -0.9827324 0.1038337 0.2604204 0.1163214 -2.5756754 0.4093256 0.2950409 0.3099112 -2.2422799 23 O -0.9827324 -0.1038337 0.2604204 -0.1163214 -2.5756754 -0.4093256 0.2950409 -0.3099112 -2.2422799 24 O -0.9827324 0.1038337 0.2604204 0.1163214 -2.5756754 0.4093256 0.2950409 0.3099112 -2.2422799 25 O -0.9016597 -0.0426316 -0.2000141 -0.0524397 -1.2301722 -0.1943371 -0.3678506 -0.1776167 -2.6533456 26 O -0.9016597 0.0426316 -0.2000141 0.0524397 -1.2301722 0.1943371 -0.3678506 0.1776167 -2.6533456 27 O -0.9016597 -0.0426316 -0.2000141 -0.0524397 -1.2301722 -0.1943371 -0.3678506 -0.1776167 -2.6533456 28 O -0.9827324 -0.1038337 0.2604204 -0.1163214 -2.5756754 -0.4093256 0.2950409 -0.3099112 -2.2422799 29 O -2.1595663 -0.3548643 -0.0486651 -0.3718642 -1.7775277 -0.4611703 -0.0330769 -0.4985794 -1.1039052 30 O -2.1595663 0.3548643 -0.0486651 0.3718642 -1.7775277 0.4611703 -0.0330769 0.4985794 -1.1039052 31 O -2.1138850 0.0491873 -0.6481248 0.0021269 -1.9401542 0.1515139 -0.5778451 0.0792599 -1.3678383 32 O -2.1595663 0.3548643 -0.0486651 0.3718642 -1.7775277 0.4611703 -0.0330769 0.4985794 -1.1039052 33 O -1.5263916 -0.1166755 0.3467562 -0.1014363 -1.6799080 -0.6490789 0.3014169 -0.7234105 -1.9618268 34 O -1.5263916 0.1166755 0.3467562 0.1014363 -1.6799080 0.6490789 0.3014169 0.7234105 -1.9618268 35 O -1.5263916 -0.1166755 0.3467562 -0.1014363 -1.6799080 -0.6490789 0.3014169 -0.7234105 -1.9618268 36 O -1.5263916 0.1166755 0.3467562 0.1014363 -1.6799080 0.6490789 0.3014169 0.7234105 -1.9618268 37 O -1.8385914 -0.1148715 0.1947339 -0.0463770 -1.5033466 -0.7259538 0.1666067 -0.7785686 -1.7891519 38 O -1.8385914 0.1148715 0.1947339 0.0463770 -1.5033466 0.7259538 0.1666067 0.7785686 -1.7891519 39 O -1.8385914 -0.1148715 0.1947339 -0.0463770 -1.5033466 -0.7259538 0.1666067 -0.7785686 -1.7891519 40 O -1.8385914 0.1148715 0.1947339 0.0463770 -1.5033466 0.7259538 0.1666067 0.7785686 -1.7891519 41 O -2.1138850 -0.0491873 -0.6481248 -0.0021269 -1.9401542 -0.1515139 -0.5778451 -0.0792599 -1.3678383 42 O -2.1138850 0.0491873 -0.6481248 0.0021269 -1.9401542 0.1515139 -0.5778451 0.0792599 -1.3678383 43 O -2.3832878 0.5290705 0.1428390 0.3891971 -1.4044920 -0.2653518 0.1925116 -0.3023278 -1.5476416 44 O -2.3832878 -0.5290705 0.1428390 -0.3891971 -1.4044920 0.2653518 0.1925116 0.3023278 -1.5476416 45 O -2.3832878 0.5290705 0.1428390 0.3891971 -1.4044920 -0.2653518 0.1925116 -0.3023278 -1.5476416 46 O -2.1595663 -0.3548643 -0.0486651 -0.3718642 -1.7775277 -0.4611703 -0.0330769 -0.4985794 -1.1039052 47 O -1.0992066 -0.5198291 -0.2683728 -0.5984727 -2.2497089 -0.7403521 -0.2460632 -0.5617089 -2.0499299 48 O -1.0992066 0.5198291 -0.2683728 0.5984727 -2.2497089 0.7403521 -0.2460632 0.5617089 -2.0499299 49 O -1.0992066 -0.5198291 -0.2683728 -0.5984727 -2.2497089 -0.7403521 -0.2460632 -0.5617089 -2.0499299 50 O -1.0992066 0.5198291 -0.2683728 0.5984727 -2.2497089 0.7403521 -0.2460632 0.5617089 -2.0499299 51 O -2.4236770 0.0277230 -0.1366241 0.0663209 -1.1798679 -0.2568310 -0.1008703 -0.1619172 -1.9161982 52 O -2.4236770 -0.0277230 -0.1366241 -0.0663209 -1.1798679 0.2568310 -0.1008703 0.1619172 -1.9161982 53 O -2.4236770 0.0277230 -0.1366241 0.0663209 -1.1798679 -0.2568310 -0.1008703 -0.1619172 -1.9161982 54 O -2.4236770 -0.0277230 -0.1366241 -0.0663209 -1.1798679 0.2568310 -0.1008703 0.1619172 -1.9161982 55 O -0.9016597 0.0426316 -0.2000141 0.0524397 -1.2301722 0.1943371 -0.3678506 0.1776167 -2.6533456 56 O -2.3832878 -0.5290705 0.1428390 -0.3891971 -1.4044920 0.2653518 0.1925116 0.3023278 -1.5476416 57 La 4.0752624 0.0842324 -0.0942979 0.1197297 4.1864852 -0.2238104 -0.1155749 -0.3232539 4.3736946 58 La 4.0752624 -0.0842324 -0.0942979 -0.1197297 4.1864852 0.2238104 -0.1155749 0.3232539 4.3736946 59 La 4.0752624 0.0842324 -0.0942979 0.1197297 4.1864852 -0.2238104 -0.1155749 -0.3232539 4.3736946 60 La 4.0752624 -0.0842324 -0.0942979 -0.1197297 4.1864852 0.2238104 -0.1155749 0.3232539 4.3736946 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.423 Solver_block: 200 / 1840 - Time: 2.095 Solver_block: 300 / 1840 - Time: 2.095 Solver_block: 400 / 1840 - Time: 2.100 Solver_block: 500 / 1840 - Time: 2.094 Solver_block: 600 / 1840 - Time: 2.098 Solver_block: 700 / 1840 - Time: 2.100 Solver_block: 800 / 1840 - Time: 2.103 Solver_block: 900 / 1840 - Time: 2.105 Solver_block: 1000 / 1840 - Time: 2.092 Solver_block: 1100 / 1840 - Time: 2.101 Solver_block: 1200 / 1840 - Time: 2.104 Solver_block: 1300 / 1840 - Time: 2.092 Solver_block: 1400 / 1840 - Time: 2.106 Solver_block: 1500 / 1840 - Time: 2.108 Solver_block: 1600 / 1840 - Time: 2.104 Solver_block: 1700 / 1840 - Time: 2.097 Solver_block: 1800 / 1840 - Time: 2.100 Solver_block: 1840 / 1840 - Time: 1.011 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.182 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:49:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.440915490019232 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): 1 B 0.22695255709098 0.75220506240222 0.17218921734745 10.811 2 B 0.77304744290902 0.25220506240222 0.32781078265255 10.811 3 B 0.77304744290902 0.24779493759778 0.82781078265255 10.811 4 B 0.22695255709098 0.74779493759778 0.67218921734745 10.811 5 B 0.81062800352628 0.37125553225575 0.58917269859438 10.811 6 B 0.18937199647372 0.87125553225575 0.91082730140562 10.811 7 B 0.48400324940183 0.59814634358364 0.27632800089674 10.811 8 B 0.51599675059817 0.09814634358364 0.22367199910326 10.811 9 B 0.51599675059817 0.40185365641636 0.72367199910326 10.811 10 B 0.48400324940183 0.90185365641636 0.77632800089674 10.811 11 B 0.28954051341553 0.05436517744190 0.54521117320909 10.811 12 B 0.71045948658447 0.55436517744190 0.95478882679091 10.811 13 B 0.71045948658447 0.94563482255810 0.45478882679091 10.811 14 B 0.28954051341553 0.44563482255810 0.04521117320909 10.811 15 B 0.85540028064010 0.53373251194736 0.25687358924154 10.811 16 B 0.14459971935990 0.03373251194736 0.24312641075846 10.811 17 B 0.14459971935990 0.46626748805264 0.74312641075846 10.811 18 B 0.85540028064010 0.96626748805264 0.75687358924154 10.811 19 B 0.18937199647372 0.62874446774425 0.41082730140562 10.811 20 B 0.81062800352628 0.12874446774425 0.08917269859438 10.811 21 O 0.07020562567204 0.52353403324015 0.33968380793938 15.999 22 O 0.75979652183441 0.83212680414216 0.45315747049232 15.999 23 O 0.75979652183441 0.66787319585784 0.95315747049232 15.999 24 O 0.24020347816559 0.16787319585784 0.54684252950768 15.999 25 O 0.78001341353582 0.01414835608858 0.59731102324030 15.999 26 O 0.21998658646418 0.51414835608858 0.90268897675970 15.999 27 O 0.21998658646418 0.98585164391142 0.40268897675970 15.999 28 O 0.24020347816559 0.33212680414216 0.04684252950768 15.999 29 O 0.41488526314092 0.80033776350540 0.66494291552465 15.999 30 O 0.58511473685908 0.30033776350540 0.83505708447535 15.999 31 O 0.92979437432796 0.02353403324015 0.16031619206062 15.999 32 O 0.41488526314092 0.69966223649460 0.16494291552465 15.999 33 O 0.13743504380739 0.65857348375519 0.56898179944898 15.999 34 O 0.86256495619261 0.15857348375520 0.93101820055102 15.999 35 O 0.86256495619261 0.34142651624481 0.43101820055102 15.999 36 O 0.13743504380739 0.84142651624481 0.06898179944898 15.999 37 O 0.11045072598096 0.77837508229281 0.78445462936172 15.999 38 O 0.88954927401904 0.27837508229281 0.71554537063828 15.999 39 O 0.88954927401904 0.22162491770719 0.21554537063828 15.999 40 O 0.11045072598096 0.72162491770719 0.28445462936172 15.999 41 O 0.92979437432796 0.47646596675985 0.66031619206062 15.999 42 O 0.07020562567204 0.97646596675985 0.83968380793938 15.999 43 O 0.72298172994947 0.59940766909086 0.32735676169553 15.999 44 O 0.27701827005053 0.09940766909086 0.17264323830448 15.999 45 O 0.27701827005053 0.40059233090914 0.67264323830448 15.999 46 O 0.58511473685908 0.19966223649460 0.33505708447535 15.999 47 O 0.40180205964357 0.48972930284621 0.19950971231566 15.999 48 O 0.59819794035644 0.98972930284621 0.30049028768434 15.999 49 O 0.59819794035644 0.51027069715379 0.80049028768434 15.999 50 O 0.40180205964357 0.01027069715379 0.69950971231566 15.999 51 O 0.41845670798768 0.61301710658996 0.43381203381559 15.999 52 O 0.58154329201232 0.11301710658996 0.06618796618441 15.999 53 O 0.58154329201232 0.38698289341004 0.56618796618441 15.999 54 O 0.41845670798768 0.88698289341004 0.93381203381559 15.999 55 O 0.78001341353582 0.48585164391142 0.09731102324030 15.999 56 O 0.72298172994947 0.90059233090914 0.82735676169552 15.999 57 La 0.24887543298329 0.32488819879564 0.35731738279012 138.905 58 La 0.75112456701671 0.82488819879564 0.14268261720988 138.905 59 La 0.75112456701671 0.67511180120436 0.64268261720988 138.905 60 La 0.24887543298329 0.17511180120436 0.85731738279012 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.881830980038464 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): 1 B 0.11347627854549 0.75220506240222 0.17218921734745 10.811 > 1 2 B 0.61347627854549 0.75220506240222 0.17218921734745 10.811 > 1 3 B 0.38652372145451 0.25220506240222 0.32781078265255 10.811 > 3 4 B 0.88652372145451 0.25220506240222 0.32781078265255 10.811 > 3 5 B 0.38652372145451 0.24779493759778 0.82781078265255 10.811 > 5 6 B 0.88652372145451 0.24779493759778 0.82781078265255 10.811 > 5 7 B 0.11347627854549 0.74779493759778 0.67218921734745 10.811 > 7 8 B 0.61347627854549 0.74779493759778 0.67218921734745 10.811 > 7 9 B 0.40531400176314 0.37125553225575 0.58917269859438 10.811 > 9 10 B 0.90531400176314 0.37125553225575 0.58917269859438 10.811 > 9 11 B 0.09468599823686 0.87125553225575 0.91082730140562 10.811 > 11 12 B 0.59468599823686 0.87125553225575 0.91082730140562 10.811 > 11 13 B 0.24200162470092 0.59814634358364 0.27632800089674 10.811 > 13 14 B 0.74200162470092 0.59814634358364 0.27632800089674 10.811 > 13 15 B 0.25799837529908 0.09814634358364 0.22367199910326 10.811 > 15 16 B 0.75799837529908 0.09814634358364 0.22367199910326 10.811 > 15 17 B 0.25799837529908 0.40185365641636 0.72367199910326 10.811 > 17 18 B 0.75799837529908 0.40185365641636 0.72367199910326 10.811 > 17 19 B 0.24200162470092 0.90185365641636 0.77632800089674 10.811 > 19 20 B 0.74200162470092 0.90185365641636 0.77632800089674 10.811 > 19 21 B 0.14477025670776 0.05436517744190 0.54521117320909 10.811 > 21 22 B 0.64477025670776 0.05436517744190 0.54521117320909 10.811 > 21 23 B 0.35522974329224 0.55436517744190 0.95478882679091 10.811 > 23 24 B 0.85522974329224 0.55436517744190 0.95478882679091 10.811 > 23 25 B 0.35522974329224 0.94563482255810 0.45478882679091 10.811 > 25 26 B 0.85522974329224 0.94563482255810 0.45478882679091 10.811 > 25 27 B 0.14477025670776 0.44563482255810 0.04521117320909 10.811 > 27 28 B 0.64477025670776 0.44563482255810 0.04521117320909 10.811 > 27 29 B 0.42770014032005 0.53373251194736 0.25687358924154 10.811 > 29 30 B 0.92770014032005 0.53373251194736 0.25687358924154 10.811 > 29 31 B 0.07229985967995 0.03373251194736 0.24312641075846 10.811 > 31 32 B 0.57229985967995 0.03373251194736 0.24312641075846 10.811 > 31 33 B 0.07229985967995 0.46626748805264 0.74312641075846 10.811 > 33 34 B 0.57229985967995 0.46626748805264 0.74312641075846 10.811 > 33 35 B 0.42770014032005 0.96626748805264 0.75687358924154 10.811 > 35 36 B 0.92770014032005 0.96626748805264 0.75687358924154 10.811 > 35 37 B 0.09468599823686 0.62874446774425 0.41082730140562 10.811 > 37 38 B 0.59468599823686 0.62874446774425 0.41082730140562 10.811 > 37 39 B 0.40531400176314 0.12874446774425 0.08917269859438 10.811 > 39 40 B 0.90531400176314 0.12874446774425 0.08917269859438 10.811 > 39 41 O 0.03510281283602 0.52353403324015 0.33968380793938 15.999 > 41 42 O 0.53510281283602 0.52353403324015 0.33968380793938 15.999 > 41 43 O 0.37989826091721 0.83212680414216 0.45315747049232 15.999 > 43 44 O 0.87989826091721 0.83212680414216 0.45315747049232 15.999 > 43 45 O 0.37989826091721 0.66787319585784 0.95315747049232 15.999 > 45 46 O 0.87989826091721 0.66787319585784 0.95315747049232 15.999 > 45 47 O 0.12010173908279 0.16787319585784 0.54684252950768 15.999 > 47 48 O 0.62010173908279 0.16787319585784 0.54684252950768 15.999 > 47 49 O 0.39000670676791 0.01414835608858 0.59731102324030 15.999 > 49 50 O 0.89000670676791 0.01414835608858 0.59731102324030 15.999 > 49 51 O 0.10999329323209 0.51414835608858 0.90268897675970 15.999 > 51 52 O 0.60999329323209 0.51414835608858 0.90268897675970 15.999 > 51 53 O 0.10999329323209 0.98585164391142 0.40268897675970 15.999 > 53 54 O 0.60999329323209 0.98585164391142 0.40268897675970 15.999 > 53 55 O 0.12010173908279 0.33212680414216 0.04684252950768 15.999 > 55 56 O 0.62010173908279 0.33212680414216 0.04684252950768 15.999 > 55 57 O 0.20744263157046 0.80033776350540 0.66494291552465 15.999 > 57 58 O 0.70744263157046 0.80033776350540 0.66494291552465 15.999 > 57 59 O 0.29255736842954 0.30033776350540 0.83505708447535 15.999 > 59 60 O 0.79255736842954 0.30033776350540 0.83505708447535 15.999 > 59 61 O 0.46489718716398 0.02353403324015 0.16031619206062 15.999 > 61 62 O 0.96489718716398 0.02353403324015 0.16031619206062 15.999 > 61 63 O 0.20744263157046 0.69966223649460 0.16494291552465 15.999 > 63 64 O 0.70744263157046 0.69966223649460 0.16494291552465 15.999 > 63 65 O 0.06871752190369 0.65857348375519 0.56898179944898 15.999 > 65 66 O 0.56871752190369 0.65857348375519 0.56898179944898 15.999 > 65 67 O 0.43128247809631 0.15857348375520 0.93101820055102 15.999 > 67 68 O 0.93128247809631 0.15857348375520 0.93101820055102 15.999 > 67 69 O 0.43128247809631 0.34142651624481 0.43101820055102 15.999 > 69 70 O 0.93128247809631 0.34142651624481 0.43101820055102 15.999 > 69 71 O 0.06871752190369 0.84142651624481 0.06898179944898 15.999 > 71 72 O 0.56871752190369 0.84142651624481 0.06898179944898 15.999 > 71 73 O 0.05522536299048 0.77837508229281 0.78445462936172 15.999 > 73 74 O 0.55522536299048 0.77837508229281 0.78445462936172 15.999 > 73 75 O 0.44477463700952 0.27837508229281 0.71554537063828 15.999 > 75 76 O 0.94477463700952 0.27837508229281 0.71554537063828 15.999 > 75 77 O 0.44477463700952 0.22162491770719 0.21554537063828 15.999 > 77 78 O 0.94477463700952 0.22162491770719 0.21554537063828 15.999 > 77 79 O 0.05522536299048 0.72162491770719 0.28445462936172 15.999 > 79 80 O 0.55522536299048 0.72162491770719 0.28445462936172 15.999 > 79 81 O 0.46489718716398 0.47646596675985 0.66031619206062 15.999 > 81 82 O 0.96489718716398 0.47646596675985 0.66031619206062 15.999 > 81 83 O 0.03510281283602 0.97646596675985 0.83968380793938 15.999 > 83 84 O 0.53510281283602 0.97646596675985 0.83968380793938 15.999 > 83 85 O 0.36149086497474 0.59940766909086 0.32735676169553 15.999 > 85 86 O 0.86149086497474 0.59940766909086 0.32735676169553 15.999 > 85 87 O 0.13850913502526 0.09940766909086 0.17264323830448 15.999 > 87 88 O 0.63850913502526 0.09940766909086 0.17264323830448 15.999 > 87 89 O 0.13850913502526 0.40059233090914 0.67264323830448 15.999 > 89 90 O 0.63850913502526 0.40059233090914 0.67264323830448 15.999 > 89 91 O 0.29255736842954 0.19966223649460 0.33505708447535 15.999 > 91 92 O 0.79255736842954 0.19966223649460 0.33505708447535 15.999 > 91 93 O 0.20090102982178 0.48972930284621 0.19950971231566 15.999 > 93 94 O 0.70090102982178 0.48972930284621 0.19950971231566 15.999 > 93 95 O 0.29909897017822 0.98972930284621 0.30049028768434 15.999 > 95 96 O 0.79909897017822 0.98972930284621 0.30049028768434 15.999 > 95 97 O 0.29909897017822 0.51027069715379 0.80049028768434 15.999 > 97 98 O 0.79909897017822 0.51027069715379 0.80049028768434 15.999 > 97 99 O 0.20090102982178 0.01027069715379 0.69950971231566 15.999 > 99 100 O 0.70090102982178 0.01027069715379 0.69950971231566 15.999 > 99 101 O 0.20922835399384 0.61301710658996 0.43381203381559 15.999 > 101 102 O 0.70922835399384 0.61301710658996 0.43381203381559 15.999 > 101 103 O 0.29077164600616 0.11301710658996 0.06618796618441 15.999 > 103 104 O 0.79077164600616 0.11301710658996 0.06618796618441 15.999 > 103 105 O 0.29077164600616 0.38698289341004 0.56618796618441 15.999 > 105 106 O 0.79077164600616 0.38698289341004 0.56618796618441 15.999 > 105 107 O 0.20922835399384 0.88698289341004 0.93381203381559 15.999 > 107 108 O 0.70922835399384 0.88698289341004 0.93381203381559 15.999 > 107 109 O 0.39000670676791 0.48585164391142 0.09731102324030 15.999 > 109 110 O 0.89000670676791 0.48585164391142 0.09731102324030 15.999 > 109 111 O 0.36149086497474 0.90059233090914 0.82735676169552 15.999 > 111 112 O 0.86149086497474 0.90059233090914 0.82735676169552 15.999 > 111 113 La 0.12443771649165 0.32488819879564 0.35731738279012 138.905 > 113 114 La 0.62443771649165 0.32488819879564 0.35731738279012 138.905 > 113 115 La 0.37556228350836 0.82488819879564 0.14268261720988 138.905 > 115 116 La 0.87556228350835 0.82488819879564 0.14268261720988 138.905 > 115 117 La 0.37556228350836 0.67511180120436 0.64268261720988 138.905 > 117 118 La 0.87556228350835 0.67511180120436 0.64268261720988 138.905 > 117 119 La 0.12443771649165 0.17511180120436 0.85731738279012 138.905 > 119 120 La 0.62443771649165 0.17511180120436 0.85731738279012 138.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1472769 0.0000000 -0.0019437 0.0000000 3.1719728 0.0000000 -0.0019375 0.0000000 3.2631198 -------------------------- Born effective charges -------------------------- 1 B 2.5479500 -0.5335764 -0.4014254 -0.4802177 1.8754246 -0.8345906 -0.2231070 -0.8993728 1.7925071 2 B 2.5479500 0.5335764 -0.4014254 0.4802177 1.8754246 0.8345906 -0.2231070 0.8993728 1.7925071 3 B 2.5479500 -0.5335764 -0.4014254 -0.4802177 1.8754246 -0.8345906 -0.2231070 -0.8993728 1.7925071 4 B 2.5479500 0.5335764 -0.4014254 0.4802177 1.8754246 0.8345906 -0.2231070 0.8993728 1.7925071 5 B 2.5767562 0.1705281 -0.0230012 0.0915263 2.3902483 0.1890271 -0.0752053 -0.0204804 2.6975036 6 B 2.5767562 -0.1705281 -0.0230012 -0.0915263 2.3902483 -0.1890271 -0.0752053 0.0204804 2.6975036 7 B 2.4697429 0.0169117 0.1973656 -0.0152048 2.7904921 0.1988339 -0.0777279 0.2055686 2.2532736 8 B 2.4697429 -0.0169117 0.1973656 0.0152048 2.7904921 -0.1988339 -0.0777279 -0.2055686 2.2532736 9 B 2.4697429 0.0169117 0.1973656 -0.0152048 2.7904921 0.1988339 -0.0777279 0.2055686 2.2532736 10 B 2.4697429 -0.0169117 0.1973656 0.0152048 2.7904921 -0.1988339 -0.0777279 -0.2055686 2.2532736 11 B 0.9524017 -0.3101788 0.3884432 -0.5141381 2.6712086 -0.1326108 0.5185746 0.3012709 2.9061355 12 B 0.9524017 0.3101788 0.3884432 0.5141381 2.6712086 0.1326108 0.5185746 -0.3012709 2.9061355 13 B 0.9524017 -0.3101788 0.3884432 -0.5141381 2.6712086 -0.1326108 0.5185746 0.3012709 2.9061355 14 B 0.9524017 0.3101788 0.3884432 0.5141381 2.6712086 0.1326108 0.5185746 -0.3012709 2.9061355 15 B 2.8068848 -0.5295194 0.2899671 -0.5052400 1.6269941 0.1432880 0.3431705 0.4827742 2.6090028 16 B 2.8068848 0.5295194 0.2899671 0.5052400 1.6269941 -0.1432880 0.3431705 -0.4827742 2.6090028 17 B 2.8068848 -0.5295194 0.2899671 -0.5052400 1.6269941 0.1432880 0.3431705 0.4827742 2.6090028 18 B 2.8068848 0.5295194 0.2899671 0.5052400 1.6269941 -0.1432880 0.3431705 -0.4827742 2.6090028 19 B 2.5767562 0.1705281 -0.0230012 0.0915263 2.3902483 0.1890271 -0.0752053 -0.0204804 2.6975036 20 B 2.5767562 -0.1705281 -0.0230012 -0.0915263 2.3902483 -0.1890271 -0.0752053 0.0204804 2.6975036 21 O -2.1138850 -0.0491873 -0.6481248 -0.0021269 -1.9401542 -0.1515139 -0.5778451 -0.0792599 -1.3678383 22 O -0.9827324 0.1038337 0.2604204 0.1163214 -2.5756754 0.4093256 0.2950409 0.3099112 -2.2422799 23 O -0.9827324 -0.1038337 0.2604204 -0.1163214 -2.5756754 -0.4093256 0.2950409 -0.3099112 -2.2422799 24 O -0.9827324 0.1038337 0.2604204 0.1163214 -2.5756754 0.4093256 0.2950409 0.3099112 -2.2422799 25 O -0.9016597 -0.0426316 -0.2000141 -0.0524397 -1.2301722 -0.1943371 -0.3678506 -0.1776167 -2.6533456 26 O -0.9016597 0.0426316 -0.2000141 0.0524397 -1.2301722 0.1943371 -0.3678506 0.1776167 -2.6533456 27 O -0.9016597 -0.0426316 -0.2000141 -0.0524397 -1.2301722 -0.1943371 -0.3678506 -0.1776167 -2.6533456 28 O -0.9827324 -0.1038337 0.2604204 -0.1163214 -2.5756754 -0.4093256 0.2950409 -0.3099112 -2.2422799 29 O -2.1595663 -0.3548643 -0.0486651 -0.3718642 -1.7775277 -0.4611703 -0.0330769 -0.4985794 -1.1039052 30 O -2.1595663 0.3548643 -0.0486651 0.3718642 -1.7775277 0.4611703 -0.0330769 0.4985794 -1.1039052 31 O -2.1138850 0.0491873 -0.6481248 0.0021269 -1.9401542 0.1515139 -0.5778451 0.0792599 -1.3678383 32 O -2.1595663 0.3548643 -0.0486651 0.3718642 -1.7775277 0.4611703 -0.0330769 0.4985794 -1.1039052 33 O -1.5263916 -0.1166755 0.3467562 -0.1014363 -1.6799080 -0.6490789 0.3014169 -0.7234105 -1.9618268 34 O -1.5263916 0.1166755 0.3467562 0.1014363 -1.6799080 0.6490789 0.3014169 0.7234105 -1.9618268 35 O -1.5263916 -0.1166755 0.3467562 -0.1014363 -1.6799080 -0.6490789 0.3014169 -0.7234105 -1.9618268 36 O -1.5263916 0.1166755 0.3467562 0.1014363 -1.6799080 0.6490789 0.3014169 0.7234105 -1.9618268 37 O -1.8385914 -0.1148715 0.1947339 -0.0463770 -1.5033466 -0.7259538 0.1666067 -0.7785686 -1.7891519 38 O -1.8385914 0.1148715 0.1947339 0.0463770 -1.5033466 0.7259538 0.1666067 0.7785686 -1.7891519 39 O -1.8385914 -0.1148715 0.1947339 -0.0463770 -1.5033466 -0.7259538 0.1666067 -0.7785686 -1.7891519 40 O -1.8385914 0.1148715 0.1947339 0.0463770 -1.5033466 0.7259538 0.1666067 0.7785686 -1.7891519 41 O -2.1138850 -0.0491873 -0.6481248 -0.0021269 -1.9401542 -0.1515139 -0.5778451 -0.0792599 -1.3678383 42 O -2.1138850 0.0491873 -0.6481248 0.0021269 -1.9401542 0.1515139 -0.5778451 0.0792599 -1.3678383 43 O -2.3832878 0.5290705 0.1428390 0.3891971 -1.4044920 -0.2653518 0.1925116 -0.3023278 -1.5476416 44 O -2.3832878 -0.5290705 0.1428390 -0.3891971 -1.4044920 0.2653518 0.1925116 0.3023278 -1.5476416 45 O -2.3832878 0.5290705 0.1428390 0.3891971 -1.4044920 -0.2653518 0.1925116 -0.3023278 -1.5476416 46 O -2.1595663 -0.3548643 -0.0486651 -0.3718642 -1.7775277 -0.4611703 -0.0330769 -0.4985794 -1.1039052 47 O -1.0992066 -0.5198291 -0.2683728 -0.5984727 -2.2497089 -0.7403521 -0.2460632 -0.5617089 -2.0499299 48 O -1.0992066 0.5198291 -0.2683728 0.5984727 -2.2497089 0.7403521 -0.2460632 0.5617089 -2.0499299 49 O -1.0992066 -0.5198291 -0.2683728 -0.5984727 -2.2497089 -0.7403521 -0.2460632 -0.5617089 -2.0499299 50 O -1.0992066 0.5198291 -0.2683728 0.5984727 -2.2497089 0.7403521 -0.2460632 0.5617089 -2.0499299 51 O -2.4236770 0.0277230 -0.1366241 0.0663209 -1.1798679 -0.2568310 -0.1008703 -0.1619172 -1.9161982 52 O -2.4236770 -0.0277230 -0.1366241 -0.0663209 -1.1798679 0.2568310 -0.1008703 0.1619172 -1.9161982 53 O -2.4236770 0.0277230 -0.1366241 0.0663209 -1.1798679 -0.2568310 -0.1008703 -0.1619172 -1.9161982 54 O -2.4236770 -0.0277230 -0.1366241 -0.0663209 -1.1798679 0.2568310 -0.1008703 0.1619172 -1.9161982 55 O -0.9016597 0.0426316 -0.2000141 0.0524397 -1.2301722 0.1943371 -0.3678506 0.1776167 -2.6533456 56 O -2.3832878 -0.5290705 0.1428390 -0.3891971 -1.4044920 0.2653518 0.1925116 0.3023278 -1.5476416 57 La 4.0752624 0.0842324 -0.0942979 0.1197297 4.1864852 -0.2238104 -0.1155749 -0.3232539 4.3736946 58 La 4.0752624 -0.0842324 -0.0942979 -0.1197297 4.1864852 0.2238104 -0.1155749 0.3232539 4.3736946 59 La 4.0752624 0.0842324 -0.0942979 0.1197297 4.1864852 -0.2238104 -0.1155749 -0.3232539 4.3736946 60 La 4.0752624 -0.0842324 -0.0942979 -0.1197297 4.1864852 0.2238104 -0.1155749 0.3232539 4.3736946 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 85, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 93, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 101, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 113, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:50:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:50:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.440915490019232 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): 1 B 0.22695255709098 0.75220506240222 0.17218921734745 10.811 2 B 0.77304744290902 0.25220506240222 0.32781078265255 10.811 3 B 0.77304744290902 0.24779493759778 0.82781078265255 10.811 4 B 0.22695255709098 0.74779493759778 0.67218921734745 10.811 5 B 0.81062800352628 0.37125553225575 0.58917269859438 10.811 6 B 0.18937199647372 0.87125553225575 0.91082730140562 10.811 7 B 0.48400324940183 0.59814634358364 0.27632800089674 10.811 8 B 0.51599675059817 0.09814634358364 0.22367199910326 10.811 9 B 0.51599675059817 0.40185365641636 0.72367199910326 10.811 10 B 0.48400324940183 0.90185365641636 0.77632800089674 10.811 11 B 0.28954051341553 0.05436517744190 0.54521117320909 10.811 12 B 0.71045948658447 0.55436517744190 0.95478882679091 10.811 13 B 0.71045948658447 0.94563482255810 0.45478882679091 10.811 14 B 0.28954051341553 0.44563482255810 0.04521117320909 10.811 15 B 0.85540028064010 0.53373251194736 0.25687358924154 10.811 16 B 0.14459971935990 0.03373251194736 0.24312641075846 10.811 17 B 0.14459971935990 0.46626748805264 0.74312641075846 10.811 18 B 0.85540028064010 0.96626748805264 0.75687358924154 10.811 19 B 0.18937199647372 0.62874446774425 0.41082730140562 10.811 20 B 0.81062800352628 0.12874446774425 0.08917269859438 10.811 21 O 0.07020562567204 0.52353403324015 0.33968380793938 15.999 22 O 0.75979652183441 0.83212680414216 0.45315747049232 15.999 23 O 0.75979652183441 0.66787319585784 0.95315747049232 15.999 24 O 0.24020347816559 0.16787319585784 0.54684252950768 15.999 25 O 0.78001341353582 0.01414835608858 0.59731102324030 15.999 26 O 0.21998658646418 0.51414835608858 0.90268897675970 15.999 27 O 0.21998658646418 0.98585164391142 0.40268897675970 15.999 28 O 0.24020347816559 0.33212680414216 0.04684252950768 15.999 29 O 0.41488526314092 0.80033776350540 0.66494291552465 15.999 30 O 0.58511473685908 0.30033776350540 0.83505708447535 15.999 31 O 0.92979437432796 0.02353403324015 0.16031619206062 15.999 32 O 0.41488526314092 0.69966223649460 0.16494291552465 15.999 33 O 0.13743504380739 0.65857348375519 0.56898179944898 15.999 34 O 0.86256495619261 0.15857348375520 0.93101820055102 15.999 35 O 0.86256495619261 0.34142651624481 0.43101820055102 15.999 36 O 0.13743504380739 0.84142651624481 0.06898179944898 15.999 37 O 0.11045072598096 0.77837508229281 0.78445462936172 15.999 38 O 0.88954927401904 0.27837508229281 0.71554537063828 15.999 39 O 0.88954927401904 0.22162491770719 0.21554537063828 15.999 40 O 0.11045072598096 0.72162491770719 0.28445462936172 15.999 41 O 0.92979437432796 0.47646596675985 0.66031619206062 15.999 42 O 0.07020562567204 0.97646596675985 0.83968380793938 15.999 43 O 0.72298172994947 0.59940766909086 0.32735676169553 15.999 44 O 0.27701827005053 0.09940766909086 0.17264323830448 15.999 45 O 0.27701827005053 0.40059233090914 0.67264323830448 15.999 46 O 0.58511473685908 0.19966223649460 0.33505708447535 15.999 47 O 0.40180205964357 0.48972930284621 0.19950971231566 15.999 48 O 0.59819794035644 0.98972930284621 0.30049028768434 15.999 49 O 0.59819794035644 0.51027069715379 0.80049028768434 15.999 50 O 0.40180205964357 0.01027069715379 0.69950971231566 15.999 51 O 0.41845670798768 0.61301710658996 0.43381203381559 15.999 52 O 0.58154329201232 0.11301710658996 0.06618796618441 15.999 53 O 0.58154329201232 0.38698289341004 0.56618796618441 15.999 54 O 0.41845670798768 0.88698289341004 0.93381203381559 15.999 55 O 0.78001341353582 0.48585164391142 0.09731102324030 15.999 56 O 0.72298172994947 0.90059233090914 0.82735676169552 15.999 57 La 0.24887543298329 0.32488819879564 0.35731738279012 138.905 58 La 0.75112456701671 0.82488819879564 0.14268261720988 138.905 59 La 0.75112456701671 0.67511180120436 0.64268261720988 138.905 60 La 0.24887543298329 0.17511180120436 0.85731738279012 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.881830980038464 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674713510000000 0.000000000000000 c -2.131531944681753 0.000000000000000 7.875318258958931 Atomic positions (fractional): 1 B 0.11347627854549 0.75220506240222 0.17218921734745 10.811 > 1 2 B 0.61347627854549 0.75220506240222 0.17218921734745 10.811 > 1 3 B 0.38652372145451 0.25220506240222 0.32781078265255 10.811 > 3 4 B 0.88652372145451 0.25220506240222 0.32781078265255 10.811 > 3 5 B 0.38652372145451 0.24779493759778 0.82781078265255 10.811 > 5 6 B 0.88652372145451 0.24779493759778 0.82781078265255 10.811 > 5 7 B 0.11347627854549 0.74779493759778 0.67218921734745 10.811 > 7 8 B 0.61347627854549 0.74779493759778 0.67218921734745 10.811 > 7 9 B 0.40531400176314 0.37125553225575 0.58917269859438 10.811 > 9 10 B 0.90531400176314 0.37125553225575 0.58917269859438 10.811 > 9 11 B 0.09468599823686 0.87125553225575 0.91082730140562 10.811 > 11 12 B 0.59468599823686 0.87125553225575 0.91082730140562 10.811 > 11 13 B 0.24200162470092 0.59814634358364 0.27632800089674 10.811 > 13 14 B 0.74200162470092 0.59814634358364 0.27632800089674 10.811 > 13 15 B 0.25799837529908 0.09814634358364 0.22367199910326 10.811 > 15 16 B 0.75799837529908 0.09814634358364 0.22367199910326 10.811 > 15 17 B 0.25799837529908 0.40185365641636 0.72367199910326 10.811 > 17 18 B 0.75799837529908 0.40185365641636 0.72367199910326 10.811 > 17 19 B 0.24200162470092 0.90185365641636 0.77632800089674 10.811 > 19 20 B 0.74200162470092 0.90185365641636 0.77632800089674 10.811 > 19 21 B 0.14477025670776 0.05436517744190 0.54521117320909 10.811 > 21 22 B 0.64477025670776 0.05436517744190 0.54521117320909 10.811 > 21 23 B 0.35522974329224 0.55436517744190 0.95478882679091 10.811 > 23 24 B 0.85522974329224 0.55436517744190 0.95478882679091 10.811 > 23 25 B 0.35522974329224 0.94563482255810 0.45478882679091 10.811 > 25 26 B 0.85522974329224 0.94563482255810 0.45478882679091 10.811 > 25 27 B 0.14477025670776 0.44563482255810 0.04521117320909 10.811 > 27 28 B 0.64477025670776 0.44563482255810 0.04521117320909 10.811 > 27 29 B 0.42770014032005 0.53373251194736 0.25687358924154 10.811 > 29 30 B 0.92770014032005 0.53373251194736 0.25687358924154 10.811 > 29 31 B 0.07229985967995 0.03373251194736 0.24312641075846 10.811 > 31 32 B 0.57229985967995 0.03373251194736 0.24312641075846 10.811 > 31 33 B 0.07229985967995 0.46626748805264 0.74312641075846 10.811 > 33 34 B 0.57229985967995 0.46626748805264 0.74312641075846 10.811 > 33 35 B 0.42770014032005 0.96626748805264 0.75687358924154 10.811 > 35 36 B 0.92770014032005 0.96626748805264 0.75687358924154 10.811 > 35 37 B 0.09468599823686 0.62874446774425 0.41082730140562 10.811 > 37 38 B 0.59468599823686 0.62874446774425 0.41082730140562 10.811 > 37 39 B 0.40531400176314 0.12874446774425 0.08917269859438 10.811 > 39 40 B 0.90531400176314 0.12874446774425 0.08917269859438 10.811 > 39 41 O 0.03510281283602 0.52353403324015 0.33968380793938 15.999 > 41 42 O 0.53510281283602 0.52353403324015 0.33968380793938 15.999 > 41 43 O 0.37989826091721 0.83212680414216 0.45315747049232 15.999 > 43 44 O 0.87989826091721 0.83212680414216 0.45315747049232 15.999 > 43 45 O 0.37989826091721 0.66787319585784 0.95315747049232 15.999 > 45 46 O 0.87989826091721 0.66787319585784 0.95315747049232 15.999 > 45 47 O 0.12010173908279 0.16787319585784 0.54684252950768 15.999 > 47 48 O 0.62010173908279 0.16787319585784 0.54684252950768 15.999 > 47 49 O 0.39000670676791 0.01414835608858 0.59731102324030 15.999 > 49 50 O 0.89000670676791 0.01414835608858 0.59731102324030 15.999 > 49 51 O 0.10999329323209 0.51414835608858 0.90268897675970 15.999 > 51 52 O 0.60999329323209 0.51414835608858 0.90268897675970 15.999 > 51 53 O 0.10999329323209 0.98585164391142 0.40268897675970 15.999 > 53 54 O 0.60999329323209 0.98585164391142 0.40268897675970 15.999 > 53 55 O 0.12010173908279 0.33212680414216 0.04684252950768 15.999 > 55 56 O 0.62010173908279 0.33212680414216 0.04684252950768 15.999 > 55 57 O 0.20744263157046 0.80033776350540 0.66494291552465 15.999 > 57 58 O 0.70744263157046 0.80033776350540 0.66494291552465 15.999 > 57 59 O 0.29255736842954 0.30033776350540 0.83505708447535 15.999 > 59 60 O 0.79255736842954 0.30033776350540 0.83505708447535 15.999 > 59 61 O 0.46489718716398 0.02353403324015 0.16031619206062 15.999 > 61 62 O 0.96489718716398 0.02353403324015 0.16031619206062 15.999 > 61 63 O 0.20744263157046 0.69966223649460 0.16494291552465 15.999 > 63 64 O 0.70744263157046 0.69966223649460 0.16494291552465 15.999 > 63 65 O 0.06871752190369 0.65857348375519 0.56898179944898 15.999 > 65 66 O 0.56871752190369 0.65857348375519 0.56898179944898 15.999 > 65 67 O 0.43128247809631 0.15857348375520 0.93101820055102 15.999 > 67 68 O 0.93128247809631 0.15857348375520 0.93101820055102 15.999 > 67 69 O 0.43128247809631 0.34142651624481 0.43101820055102 15.999 > 69 70 O 0.93128247809631 0.34142651624481 0.43101820055102 15.999 > 69 71 O 0.06871752190369 0.84142651624481 0.06898179944898 15.999 > 71 72 O 0.56871752190369 0.84142651624481 0.06898179944898 15.999 > 71 73 O 0.05522536299048 0.77837508229281 0.78445462936172 15.999 > 73 74 O 0.55522536299048 0.77837508229281 0.78445462936172 15.999 > 73 75 O 0.44477463700952 0.27837508229281 0.71554537063828 15.999 > 75 76 O 0.94477463700952 0.27837508229281 0.71554537063828 15.999 > 75 77 O 0.44477463700952 0.22162491770719 0.21554537063828 15.999 > 77 78 O 0.94477463700952 0.22162491770719 0.21554537063828 15.999 > 77 79 O 0.05522536299048 0.72162491770719 0.28445462936172 15.999 > 79 80 O 0.55522536299048 0.72162491770719 0.28445462936172 15.999 > 79 81 O 0.46489718716398 0.47646596675985 0.66031619206062 15.999 > 81 82 O 0.96489718716398 0.47646596675985 0.66031619206062 15.999 > 81 83 O 0.03510281283602 0.97646596675985 0.83968380793938 15.999 > 83 84 O 0.53510281283602 0.97646596675985 0.83968380793938 15.999 > 83 85 O 0.36149086497474 0.59940766909086 0.32735676169553 15.999 > 85 86 O 0.86149086497474 0.59940766909086 0.32735676169553 15.999 > 85 87 O 0.13850913502526 0.09940766909086 0.17264323830448 15.999 > 87 88 O 0.63850913502526 0.09940766909086 0.17264323830448 15.999 > 87 89 O 0.13850913502526 0.40059233090914 0.67264323830448 15.999 > 89 90 O 0.63850913502526 0.40059233090914 0.67264323830448 15.999 > 89 91 O 0.29255736842954 0.19966223649460 0.33505708447535 15.999 > 91 92 O 0.79255736842954 0.19966223649460 0.33505708447535 15.999 > 91 93 O 0.20090102982178 0.48972930284621 0.19950971231566 15.999 > 93 94 O 0.70090102982178 0.48972930284621 0.19950971231566 15.999 > 93 95 O 0.29909897017822 0.98972930284621 0.30049028768434 15.999 > 95 96 O 0.79909897017822 0.98972930284621 0.30049028768434 15.999 > 95 97 O 0.29909897017822 0.51027069715379 0.80049028768434 15.999 > 97 98 O 0.79909897017822 0.51027069715379 0.80049028768434 15.999 > 97 99 O 0.20090102982178 0.01027069715379 0.69950971231566 15.999 > 99 100 O 0.70090102982178 0.01027069715379 0.69950971231566 15.999 > 99 101 O 0.20922835399384 0.61301710658996 0.43381203381559 15.999 > 101 102 O 0.70922835399384 0.61301710658996 0.43381203381559 15.999 > 101 103 O 0.29077164600616 0.11301710658996 0.06618796618441 15.999 > 103 104 O 0.79077164600616 0.11301710658996 0.06618796618441 15.999 > 103 105 O 0.29077164600616 0.38698289341004 0.56618796618441 15.999 > 105 106 O 0.79077164600616 0.38698289341004 0.56618796618441 15.999 > 105 107 O 0.20922835399384 0.88698289341004 0.93381203381559 15.999 > 107 108 O 0.70922835399384 0.88698289341004 0.93381203381559 15.999 > 107 109 O 0.39000670676791 0.48585164391142 0.09731102324030 15.999 > 109 110 O 0.89000670676791 0.48585164391142 0.09731102324030 15.999 > 109 111 O 0.36149086497474 0.90059233090914 0.82735676169552 15.999 > 111 112 O 0.86149086497474 0.90059233090914 0.82735676169552 15.999 > 111 113 La 0.12443771649165 0.32488819879564 0.35731738279012 138.905 > 113 114 La 0.62443771649165 0.32488819879564 0.35731738279012 138.905 > 113 115 La 0.37556228350836 0.82488819879564 0.14268261720988 138.905 > 115 116 La 0.87556228350835 0.82488819879564 0.14268261720988 138.905 > 115 117 La 0.37556228350836 0.67511180120436 0.64268261720988 138.905 > 117 118 La 0.87556228350835 0.67511180120436 0.64268261720988 138.905 > 117 119 La 0.12443771649165 0.17511180120436 0.85731738279012 138.905 > 119 120 La 0.62443771649165 0.17511180120436 0.85731738279012 138.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1472769 0.0000000 -0.0019437 0.0000000 3.1719728 0.0000000 -0.0019375 0.0000000 3.2631198 -------------------------- Born effective charges -------------------------- 1 B 2.5479500 -0.5335764 -0.4014254 -0.4802177 1.8754246 -0.8345906 -0.2231070 -0.8993728 1.7925071 2 B 2.5479500 0.5335764 -0.4014254 0.4802177 1.8754246 0.8345906 -0.2231070 0.8993728 1.7925071 3 B 2.5479500 -0.5335764 -0.4014254 -0.4802177 1.8754246 -0.8345906 -0.2231070 -0.8993728 1.7925071 4 B 2.5479500 0.5335764 -0.4014254 0.4802177 1.8754246 0.8345906 -0.2231070 0.8993728 1.7925071 5 B 2.5767562 0.1705281 -0.0230012 0.0915263 2.3902483 0.1890271 -0.0752053 -0.0204804 2.6975036 6 B 2.5767562 -0.1705281 -0.0230012 -0.0915263 2.3902483 -0.1890271 -0.0752053 0.0204804 2.6975036 7 B 2.4697429 0.0169117 0.1973656 -0.0152048 2.7904921 0.1988339 -0.0777279 0.2055686 2.2532736 8 B 2.4697429 -0.0169117 0.1973656 0.0152048 2.7904921 -0.1988339 -0.0777279 -0.2055686 2.2532736 9 B 2.4697429 0.0169117 0.1973656 -0.0152048 2.7904921 0.1988339 -0.0777279 0.2055686 2.2532736 10 B 2.4697429 -0.0169117 0.1973656 0.0152048 2.7904921 -0.1988339 -0.0777279 -0.2055686 2.2532736 11 B 0.9524017 -0.3101788 0.3884432 -0.5141381 2.6712086 -0.1326108 0.5185746 0.3012709 2.9061355 12 B 0.9524017 0.3101788 0.3884432 0.5141381 2.6712086 0.1326108 0.5185746 -0.3012709 2.9061355 13 B 0.9524017 -0.3101788 0.3884432 -0.5141381 2.6712086 -0.1326108 0.5185746 0.3012709 2.9061355 14 B 0.9524017 0.3101788 0.3884432 0.5141381 2.6712086 0.1326108 0.5185746 -0.3012709 2.9061355 15 B 2.8068848 -0.5295194 0.2899671 -0.5052400 1.6269941 0.1432880 0.3431705 0.4827742 2.6090028 16 B 2.8068848 0.5295194 0.2899671 0.5052400 1.6269941 -0.1432880 0.3431705 -0.4827742 2.6090028 17 B 2.8068848 -0.5295194 0.2899671 -0.5052400 1.6269941 0.1432880 0.3431705 0.4827742 2.6090028 18 B 2.8068848 0.5295194 0.2899671 0.5052400 1.6269941 -0.1432880 0.3431705 -0.4827742 2.6090028 19 B 2.5767562 0.1705281 -0.0230012 0.0915263 2.3902483 0.1890271 -0.0752053 -0.0204804 2.6975036 20 B 2.5767562 -0.1705281 -0.0230012 -0.0915263 2.3902483 -0.1890271 -0.0752053 0.0204804 2.6975036 21 O -2.1138850 -0.0491873 -0.6481248 -0.0021269 -1.9401542 -0.1515139 -0.5778451 -0.0792599 -1.3678383 22 O -0.9827324 0.1038337 0.2604204 0.1163214 -2.5756754 0.4093256 0.2950409 0.3099112 -2.2422799 23 O -0.9827324 -0.1038337 0.2604204 -0.1163214 -2.5756754 -0.4093256 0.2950409 -0.3099112 -2.2422799 24 O -0.9827324 0.1038337 0.2604204 0.1163214 -2.5756754 0.4093256 0.2950409 0.3099112 -2.2422799 25 O -0.9016597 -0.0426316 -0.2000141 -0.0524397 -1.2301722 -0.1943371 -0.3678506 -0.1776167 -2.6533456 26 O -0.9016597 0.0426316 -0.2000141 0.0524397 -1.2301722 0.1943371 -0.3678506 0.1776167 -2.6533456 27 O -0.9016597 -0.0426316 -0.2000141 -0.0524397 -1.2301722 -0.1943371 -0.3678506 -0.1776167 -2.6533456 28 O -0.9827324 -0.1038337 0.2604204 -0.1163214 -2.5756754 -0.4093256 0.2950409 -0.3099112 -2.2422799 29 O -2.1595663 -0.3548643 -0.0486651 -0.3718642 -1.7775277 -0.4611703 -0.0330769 -0.4985794 -1.1039052 30 O -2.1595663 0.3548643 -0.0486651 0.3718642 -1.7775277 0.4611703 -0.0330769 0.4985794 -1.1039052 31 O -2.1138850 0.0491873 -0.6481248 0.0021269 -1.9401542 0.1515139 -0.5778451 0.0792599 -1.3678383 32 O -2.1595663 0.3548643 -0.0486651 0.3718642 -1.7775277 0.4611703 -0.0330769 0.4985794 -1.1039052 33 O -1.5263916 -0.1166755 0.3467562 -0.1014363 -1.6799080 -0.6490789 0.3014169 -0.7234105 -1.9618268 34 O -1.5263916 0.1166755 0.3467562 0.1014363 -1.6799080 0.6490789 0.3014169 0.7234105 -1.9618268 35 O -1.5263916 -0.1166755 0.3467562 -0.1014363 -1.6799080 -0.6490789 0.3014169 -0.7234105 -1.9618268 36 O -1.5263916 0.1166755 0.3467562 0.1014363 -1.6799080 0.6490789 0.3014169 0.7234105 -1.9618268 37 O -1.8385914 -0.1148715 0.1947339 -0.0463770 -1.5033466 -0.7259538 0.1666067 -0.7785686 -1.7891519 38 O -1.8385914 0.1148715 0.1947339 0.0463770 -1.5033466 0.7259538 0.1666067 0.7785686 -1.7891519 39 O -1.8385914 -0.1148715 0.1947339 -0.0463770 -1.5033466 -0.7259538 0.1666067 -0.7785686 -1.7891519 40 O -1.8385914 0.1148715 0.1947339 0.0463770 -1.5033466 0.7259538 0.1666067 0.7785686 -1.7891519 41 O -2.1138850 -0.0491873 -0.6481248 -0.0021269 -1.9401542 -0.1515139 -0.5778451 -0.0792599 -1.3678383 42 O -2.1138850 0.0491873 -0.6481248 0.0021269 -1.9401542 0.1515139 -0.5778451 0.0792599 -1.3678383 43 O -2.3832878 0.5290705 0.1428390 0.3891971 -1.4044920 -0.2653518 0.1925116 -0.3023278 -1.5476416 44 O -2.3832878 -0.5290705 0.1428390 -0.3891971 -1.4044920 0.2653518 0.1925116 0.3023278 -1.5476416 45 O -2.3832878 0.5290705 0.1428390 0.3891971 -1.4044920 -0.2653518 0.1925116 -0.3023278 -1.5476416 46 O -2.1595663 -0.3548643 -0.0486651 -0.3718642 -1.7775277 -0.4611703 -0.0330769 -0.4985794 -1.1039052 47 O -1.0992066 -0.5198291 -0.2683728 -0.5984727 -2.2497089 -0.7403521 -0.2460632 -0.5617089 -2.0499299 48 O -1.0992066 0.5198291 -0.2683728 0.5984727 -2.2497089 0.7403521 -0.2460632 0.5617089 -2.0499299 49 O -1.0992066 -0.5198291 -0.2683728 -0.5984727 -2.2497089 -0.7403521 -0.2460632 -0.5617089 -2.0499299 50 O -1.0992066 0.5198291 -0.2683728 0.5984727 -2.2497089 0.7403521 -0.2460632 0.5617089 -2.0499299 51 O -2.4236770 0.0277230 -0.1366241 0.0663209 -1.1798679 -0.2568310 -0.1008703 -0.1619172 -1.9161982 52 O -2.4236770 -0.0277230 -0.1366241 -0.0663209 -1.1798679 0.2568310 -0.1008703 0.1619172 -1.9161982 53 O -2.4236770 0.0277230 -0.1366241 0.0663209 -1.1798679 -0.2568310 -0.1008703 -0.1619172 -1.9161982 54 O -2.4236770 -0.0277230 -0.1366241 -0.0663209 -1.1798679 0.2568310 -0.1008703 0.1619172 -1.9161982 55 O -0.9016597 0.0426316 -0.2000141 0.0524397 -1.2301722 0.1943371 -0.3678506 0.1776167 -2.6533456 56 O -2.3832878 -0.5290705 0.1428390 -0.3891971 -1.4044920 0.2653518 0.1925116 0.3023278 -1.5476416 57 La 4.0752624 0.0842324 -0.0942979 0.1197297 4.1864852 -0.2238104 -0.1155749 -0.3232539 4.3736946 58 La 4.0752624 -0.0842324 -0.0942979 -0.1197297 4.1864852 0.2238104 -0.1155749 0.3232539 4.3736946 59 La 4.0752624 0.0842324 -0.0942979 0.1197297 4.1864852 -0.2238104 -0.1155749 -0.3232539 4.3736946 60 La 4.0752624 -0.0842324 -0.0942979 -0.1197297 4.1864852 0.2238104 -0.1155749 0.3232539 4.3736946 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 6 ] 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: 0.49, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.580 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.641 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.432 ( 0.000 0.000 0.000) 0.000 13.693 ( 0.000 0.000 0.000) 0.000 14.327 ( 0.000 0.000 0.000) 0.000 14.586 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 14.958 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.598 ( 0.000 0.000 0.000) 0.000 16.386 ( 0.000 0.000 0.000) 0.000 16.556 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 16.991 ( 0.000 0.000 0.000) 0.000 17.117 ( 0.000 0.000 0.000) 0.000 17.130 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 17.385 ( 0.000 0.000 0.000) 0.000 17.546 ( 0.000 0.000 0.000) 0.000 17.734 ( 0.000 0.000 0.000) 0.000 17.996 ( 0.000 0.000 0.000) 0.000 18.533 ( 0.000 0.000 0.000) 0.000 18.580 ( 0.000 0.000 0.000) 0.000 18.771 ( 0.000 0.000 0.000) 0.000 18.840 ( 0.000 0.000 0.000) 0.000 18.852 ( 0.000 0.000 0.000) 0.000 19.053 ( 0.000 0.000 0.000) 0.000 19.107 ( 0.000 0.000 0.000) 0.000 19.336 ( 0.000 0.000 0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.461 ( 0.000 0.000 0.000) 0.000 19.750 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 19.795 ( 0.000 0.000 0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 20.156 ( 0.000 0.000 0.000) 0.000 20.370 ( 0.000 0.000 0.000) 0.000 20.580 ( 0.000 0.000 0.000) 0.000 20.778 ( 0.000 0.000 0.000) 0.000 21.207 ( 0.000 0.000 0.000) 0.000 21.322 ( 0.000 0.000 0.000) 0.000 21.980 ( 0.000 0.000 0.000) 0.000 22.035 ( 0.000 0.000 0.000) 0.000 22.054 ( 0.000 0.000 0.000) 0.000 22.394 ( 0.000 0.000 0.000) 0.000 23.160 ( 0.000 0.000 0.000) 0.000 23.332 ( 0.000 0.000 0.000) 0.000 23.431 ( 0.000 0.000 0.000) 0.000 23.865 ( 0.000 0.000 0.000) 0.000 24.215 ( 0.000 0.000 0.000) 0.000 24.231 ( 0.000 0.000 0.000) 0.000 25.027 ( 0.000 0.000 0.000) 0.000 25.540 ( 0.000 0.000 0.000) 0.000 25.896 ( 0.000 0.000 0.000) 0.000 26.494 ( 0.000 0.000 0.000) 0.000 26.504 ( 0.000 0.000 0.000) 0.000 26.813 ( 0.000 0.000 0.000) 0.000 27.157 ( 0.000 0.000 0.000) 0.000 27.178 ( 0.000 0.000 0.000) 0.000 27.405 ( 0.000 0.000 0.000) 0.000 27.521 ( 0.000 0.000 0.000) 0.000 27.736 ( 0.000 0.000 0.000) 0.000 28.022 ( 0.000 0.000 0.000) 0.000 28.178 ( 0.000 0.000 0.000) 0.000 28.835 ( 0.000 0.000 0.000) 0.000 29.013 ( 0.000 0.000 0.000) 0.000 29.054 ( 0.000 0.000 0.000) 0.000 29.153 ( 0.000 0.000 0.000) 0.000 29.157 ( 0.000 0.000 0.000) 0.000 29.390 ( 0.000 0.000 0.000) 0.000 29.560 ( 0.000 0.000 0.000) 0.000 29.819 ( 0.000 0.000 0.000) 0.000 30.103 ( 0.000 0.000 0.000) 0.000 31.496 ( 0.000 0.000 0.000) 0.000 31.646 ( 0.000 0.000 0.000) 0.000 32.014 ( 0.000 0.000 0.000) 0.000 32.348 ( 0.000 0.000 0.000) 0.000 32.391 ( 0.000 0.000 0.000) 0.000 32.810 ( 0.000 0.000 0.000) 0.000 33.419 ( 0.000 0.000 0.000) 0.000 33.458 ( 0.000 0.000 0.000) 0.000 33.618 ( 0.000 0.000 0.000) 0.000 33.799 ( 0.000 0.000 0.000) 0.000 34.022 ( 0.000 0.000 0.000) 0.000 34.215 ( 0.000 0.000 0.000) 0.000 38.154 ( 0.000 0.000 0.000) 0.000 38.280 ( 0.000 0.000 0.000) 0.000 38.290 ( 0.000 0.000 0.000) 0.000 38.467 ( 0.000 0.000 0.000) 0.000 38.621 ( 0.000 0.000 0.000) 0.000 38.827 ( 0.000 0.000 0.000) 0.000 38.873 ( 0.000 0.000 0.000) 0.000 39.008 ( 0.000 0.000 0.000) 0.000 39.201 ( 0.000 0.000 0.000) 0.000 39.219 ( 0.000 0.000 0.000) 0.000 39.306 ( 0.000 0.000 0.000) 0.000 39.667 ( 0.000 0.000 0.000) 0.000 39.709 ( 0.000 0.000 0.000) 0.000 40.265 ( 0.000 0.000 0.000) 0.000 40.737 ( 0.000 0.000 0.000) 0.000 40.792 ( 0.000 0.000 0.000) 0.000 41.051 ( 0.000 0.000 0.000) 0.000 41.257 ( 0.000 0.000 0.000) 0.000 41.293 ( 0.000 0.000 0.000) 0.000 41.377 ( 0.000 0.000 0.000) 0.000 41.913 ( 0.000 0.000 0.000) 0.000 42.172 ( 0.000 0.000 0.000) 0.000 42.415 ( 0.000 0.000 0.000) 0.000 42.893 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 30.183 0.000 12.979) 32.856 0.785 ( 34.172 0.000 21.420) 40.331 1.579 ( 70.297 0.000 12.156) 71.340 2.265 ( 12.226 0.000 4.463) 13.016 2.665 ( 2.363 0.000 -1.312) 2.703 2.756 ( 15.834 0.000 4.207) 16.383 2.985 ( 0.809 0.000 0.938) 1.238 3.057 ( -2.194 0.000 -0.935) 2.385 3.258 ( -5.534 0.000 1.212) 5.665 3.286 ( 3.521 0.000 -7.563) 8.342 3.562 ( -1.665 0.000 -6.381) 6.594 3.752 ( 7.390 0.000 1.625) 7.566 3.820 ( 3.366 0.000 -9.308) 9.898 3.859 ( -4.638 0.000 8.175) 9.399 3.982 ( -4.910 0.000 -6.284) 7.974 4.164 ( 0.432 0.000 -1.384) 1.450 4.277 ( 10.398 0.000 -0.620) 10.417 4.322 ( -1.454 0.000 3.961) 4.220 4.389 ( 9.752 0.000 -6.453) 11.694 4.628 ( 10.227 0.000 -3.473) 10.800 4.735 ( -0.726 0.000 1.861) 1.998 4.919 ( -2.728 0.000 -7.598) 8.073 4.992 ( -0.138 0.000 1.169) 1.177 5.013 ( -4.005 0.000 0.275) 4.014 5.104 ( 6.233 0.000 8.342) 10.414 5.405 ( 2.445 0.000 9.559) 9.867 5.423 ( -0.430 0.000 -2.266) 2.307 5.559 ( 0.200 0.000 -1.116) 1.134 5.601 ( 1.124 0.000 6.346) 6.445 5.763 ( -2.494 0.000 0.141) 2.498 5.769 ( 4.306 0.000 -17.566) 18.086 5.887 ( 5.570 0.000 1.432) 5.751 6.261 ( -0.935 0.000 -3.386) 3.513 6.323 ( -6.904 0.000 4.730) 8.369 6.511 ( -0.697 0.000 12.972) 12.991 6.647 ( -1.758 0.000 -4.424) 4.761 6.666 ( -4.368 0.000 -15.077) 15.697 6.746 ( 3.493 0.000 4.026) 5.331 6.865 ( 1.253 0.000 1.519) 1.969 7.089 ( -12.403 0.000 4.183) 13.089 7.141 ( -0.185 0.000 1.009) 1.026 7.360 ( -0.625 0.000 -5.737) 5.771 7.586 ( -2.211 0.000 6.230) 6.611 7.683 ( 6.588 0.000 -1.451) 6.745 7.816 ( -6.713 0.000 5.389) 8.608 7.861 ( -6.003 0.000 -6.364) 8.749 8.230 ( 3.516 0.000 -1.291) 3.746 8.266 ( -17.253 0.000 5.000) 17.963 8.857 ( 3.254 0.000 -0.537) 3.298 8.935 ( 7.546 0.000 -1.489) 7.692 9.090 ( 3.117 0.000 -0.769) 3.210 9.231 ( 12.252 0.000 0.653) 12.270 9.675 ( 3.734 0.000 -7.273) 8.176 10.089 ( 6.228 0.000 -1.186) 6.340 10.127 ( 7.225 0.000 0.491) 7.242 10.309 ( 2.025 0.000 -1.586) 2.572 10.447 ( 7.306 0.000 1.948) 7.561 10.877 ( -0.980 0.000 4.559) 4.663 11.252 ( -3.331 0.000 -4.015) 5.217 11.287 ( 4.188 0.000 4.078) 5.846 11.761 ( 3.282 0.000 -1.617) 3.658 11.831 ( -5.208 0.000 5.399) 7.502 11.914 ( 1.190 0.000 1.120) 1.634 12.014 ( -0.615 0.000 2.852) 2.918 12.415 ( -6.057 0.000 -6.837) 9.134 12.634 ( -1.298 0.000 -1.726) 2.160 12.718 ( 6.174 0.000 9.122) 11.015 12.750 ( 2.788 0.000 4.953) 5.684 12.986 ( 5.086 0.000 -5.731) 7.662 13.194 ( 5.352 0.000 2.279) 5.817 13.307 ( -2.627 0.000 8.680) 9.069 13.437 ( 0.664 0.000 -2.455) 2.544 13.663 ( -2.887 0.000 0.553) 2.940 14.225 ( -9.243 0.000 -3.842) 10.010 14.580 ( -2.336 0.000 2.573) 3.475 14.855 ( 2.737 0.000 -4.293) 5.092 14.908 ( -15.782 0.000 -7.882) 17.641 15.079 ( 7.684 0.000 -1.036) 7.754 15.427 ( -1.108 0.000 -4.697) 4.826 15.573 ( -4.133 0.000 7.059) 8.180 16.318 ( -7.628 0.000 0.181) 7.630 16.533 ( -0.637 0.000 -3.673) 3.728 16.712 ( -5.386 0.000 5.147) 7.450 16.745 ( -4.531 0.000 -1.453) 4.758 16.789 ( -27.311 0.000 4.956) 27.757 16.924 ( -2.975 0.000 3.641) 4.702 17.123 ( 1.422 0.000 1.185) 1.851 17.327 ( -2.200 0.000 -7.007) 7.344 17.364 ( -2.696 0.000 7.222) 7.709 17.713 ( 6.045 0.000 10.144) 11.809 17.797 ( 7.329 0.000 6.095) 9.532 18.117 ( 7.257 0.000 -7.545) 10.469 18.426 ( -11.963 0.000 -1.688) 12.081 18.577 ( -14.847 0.000 1.246) 14.899 18.649 ( -4.730 0.000 -5.226) 7.048 18.847 ( 6.254 0.000 -2.334) 6.676 18.952 ( 7.690 0.000 -17.197) 18.838 19.098 ( 3.721 0.000 -2.032) 4.239 19.360 ( -2.626 0.000 -0.471) 2.668 19.370 ( 13.317 0.000 -1.831) 13.442 19.456 ( 0.485 0.000 -1.380) 1.463 19.499 ( 1.052 0.000 5.008) 5.118 19.768 ( 1.275 0.000 0.785) 1.497 19.801 ( 1.164 0.000 -3.234) 3.437 19.823 ( 3.283 0.000 2.700) 4.251 20.046 ( -2.445 0.000 -0.565) 2.510 20.148 ( -1.623 0.000 1.566) 2.256 20.384 ( -0.408 0.000 2.410) 2.445 20.573 ( -0.572 0.000 0.422) 0.711 20.838 ( 5.734 0.000 1.146) 5.847 21.174 ( -1.602 0.000 -6.394) 6.592 21.316 ( -1.100 0.000 3.315) 3.493 21.944 ( -1.492 0.000 -3.150) 3.486 22.059 ( 0.584 0.000 -0.661) 0.882 22.105 ( 5.046 0.000 -0.865) 5.120 22.377 ( -1.930 0.000 0.916) 2.136 22.933 ( -19.605 0.000 1.430) 19.657 23.059 ( -24.915 0.000 10.629) 27.088 23.259 ( -18.145 0.000 2.215) 18.280 23.863 ( -14.114 0.000 5.969) 15.325 24.350 ( 10.987 0.000 -0.787) 11.015 24.443 ( 17.797 0.000 0.680) 17.810 25.121 ( 7.576 0.000 -1.159) 7.664 25.647 ( 13.388 0.000 -13.311) 18.879 25.999 ( 9.895 0.000 -6.691) 11.945 26.504 ( 1.179 0.000 1.291) 1.749 26.535 ( 1.793 0.000 0.245) 1.810 26.862 ( 0.541 0.000 -6.297) 6.321 27.139 ( 1.594 0.000 -8.147) 8.302 27.142 ( -0.526 0.000 -2.666) 2.718 27.509 ( -1.213 0.000 0.301) 1.250 27.555 ( 6.660 0.000 7.732) 10.205 27.739 ( 0.714 0.000 -1.490) 1.652 27.978 ( -5.332 0.000 4.835) 7.198 28.182 ( 1.791 0.000 -4.416) 4.766 28.972 ( -5.306 0.000 -0.531) 5.333 29.021 ( 1.856 0.000 -2.472) 3.091 29.083 ( -1.513 0.000 21.959) 22.011 29.231 ( 6.901 0.000 0.224) 6.904 29.434 ( 4.307 0.000 0.070) 4.308 29.547 ( 13.482 0.000 4.553) 14.230 29.828 ( 5.635 0.000 -8.407) 10.121 30.309 ( 16.971 0.000 2.051) 17.095 30.727 ( -4.400 0.000 11.859) 12.649 31.547 ( -9.879 0.000 1.215) 9.953 31.825 ( -10.792 0.000 -5.511) 12.118 32.111 ( 4.806 0.000 -15.245) 15.984 32.435 ( 5.712 0.000 6.901) 8.959 32.454 ( 4.847 0.000 2.464) 5.437 32.722 ( -7.886 0.000 -2.123) 8.166 33.379 ( -4.834 0.000 4.662) 6.716 33.460 ( -5.132 0.000 -6.318) 8.140 33.627 ( 0.157 0.000 -1.722) 1.729 34.038 ( 0.995 0.000 2.199) 2.414 34.057 ( -6.314 0.000 15.390) 16.635 34.250 ( 2.780 0.000 0.336) 2.801 38.153 ( 0.862 0.000 -3.511) 3.616 38.247 ( -2.803 0.000 -0.382) 2.829 38.347 ( 1.903 0.000 -11.450) 11.607 38.491 ( 1.627 0.000 2.659) 3.118 38.574 ( -6.407 0.000 9.017) 11.062 38.770 ( -8.663 0.000 -4.171) 9.615 38.979 ( -6.371 0.000 3.298) 7.174 39.032 ( -0.855 0.000 -1.040) 1.346 39.278 ( -2.735 0.000 1.216) 2.993 39.526 ( 16.148 0.000 1.981) 16.270 39.641 ( -0.433 0.000 -6.000) 6.016 39.675 ( 5.545 0.000 -16.113) 17.041 39.842 ( -4.017 0.000 29.261) 29.536 40.679 ( -4.748 0.000 5.224) 7.060 40.798 ( 2.398 0.000 -9.941) 10.226 40.866 ( 5.643 0.000 -2.728) 6.267 41.031 ( -3.220 0.000 0.589) 3.273 41.296 ( -0.041 0.000 -1.161) 1.161 41.348 ( -18.708 0.000 -10.683) 21.543 41.383 ( 2.021 0.000 -2.638) 3.323 41.964 ( 3.891 0.000 4.147) 5.687 42.506 ( 23.886 0.000 -4.902) 24.384 42.862 ( -2.954 0.000 -0.518) 2.999 43.695 ( -11.514 0.000 42.242) 43.783 ======================= Grid point 2 (3/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 28.967 0.000 8.597) 30.216 1.530 ( 31.184 0.000 17.895) 35.954 2.359 ( 10.684 0.000 2.675) 11.013 2.810 ( 12.767 0.000 0.736) 12.788 2.886 ( 34.505 0.000 3.967) 34.732 2.962 ( 7.793 0.000 6.130) 9.915 3.022 ( 1.958 0.000 -1.507) 2.471 3.034 ( 0.795 0.000 1.238) 1.471 3.127 ( -7.888 0.000 -1.002) 7.951 3.373 ( 4.777 0.000 0.065) 4.777 3.509 ( -0.964 0.000 -4.214) 4.322 3.692 ( -6.254 0.000 -3.061) 6.963 3.769 ( -12.116 0.000 13.564) 18.187 3.851 ( -4.721 0.000 -5.472) 7.227 3.980 ( 9.105 0.000 -4.689) 10.241 4.131 ( -2.721 0.000 -2.267) 3.542 4.320 ( -1.091 0.000 5.344) 5.454 4.485 ( 10.518 0.000 -4.167) 11.314 4.532 ( 6.474 0.000 -6.468) 9.152 4.752 ( 3.779 0.000 -3.256) 4.989 4.782 ( 6.751 0.000 -2.633) 7.247 4.913 ( 7.663 0.000 -1.792) 7.870 4.988 ( -2.558 0.000 4.073) 4.809 5.004 ( 3.455 0.000 3.881) 5.196 5.247 ( 4.005 0.000 -0.847) 4.094 5.386 ( -4.856 0.000 -5.435) 7.289 5.501 ( 2.662 0.000 6.045) 6.606 5.535 ( -6.184 0.000 -7.836) 9.982 5.591 ( 6.050 0.000 0.943) 6.123 5.773 ( 4.322 0.000 3.248) 5.407 5.826 ( 5.581 0.000 -1.220) 5.712 6.036 ( 7.921 0.000 -1.060) 7.992 6.221 ( -5.786 0.000 4.798) 7.517 6.236 ( 2.103 0.000 -8.242) 8.506 6.454 ( -5.506 0.000 -3.128) 6.333 6.509 ( -9.934 0.000 -3.976) 10.700 6.656 ( 7.551 0.000 -3.352) 8.261 6.679 ( -10.625 0.000 1.712) 10.762 6.901 ( 0.996 0.000 3.309) 3.455 7.074 ( 5.449 0.000 9.668) 11.098 7.146 ( 0.083 0.000 1.216) 1.219 7.371 ( 5.215 0.000 -4.679) 7.007 7.543 ( -5.144 0.000 6.934) 8.634 7.614 ( -13.655 0.000 -5.315) 14.653 7.736 ( -3.881 0.000 0.070) 3.881 7.831 ( 10.594 0.000 -2.051) 10.790 8.011 ( -12.578 0.000 10.194) 16.190 8.355 ( 10.538 0.000 -1.621) 10.662 8.947 ( 6.706 0.000 -0.301) 6.713 9.032 ( 4.466 0.000 -3.953) 5.964 9.177 ( 5.421 0.000 -0.255) 5.427 9.474 ( 11.058 0.000 -0.311) 11.063 9.743 ( 7.161 0.000 -6.790) 9.868 10.219 ( 7.474 0.000 -2.509) 7.883 10.299 ( 10.165 0.000 -1.374) 10.257 10.350 ( 2.798 0.000 -1.009) 2.975 10.630 ( 9.044 0.000 2.945) 9.512 10.875 ( -2.218 0.000 6.540) 6.906 11.182 ( -1.611 0.000 -2.829) 3.255 11.430 ( 7.500 0.000 4.698) 8.850 11.699 ( -9.336 0.000 -4.190) 10.233 11.726 ( -5.954 0.000 -5.366) 8.015 11.967 ( 3.683 0.000 3.281) 4.932 12.096 ( 7.598 0.000 4.877) 9.029 12.277 ( -4.922 0.000 -1.831) 5.252 12.579 ( -3.791 0.000 0.695) 3.854 12.871 ( 5.812 0.000 3.005) 6.543 12.899 ( 7.083 0.000 8.439) 11.018 13.039 ( 4.990 0.000 -8.095) 9.509 13.266 ( -9.306 0.000 11.918) 15.121 13.331 ( 5.576 0.000 1.474) 5.768 13.425 ( 0.906 0.000 -5.721) 5.792 13.612 ( -2.167 0.000 1.444) 2.604 13.975 ( -13.454 0.000 1.912) 13.589 14.545 ( -15.791 0.000 -11.119) 19.313 14.568 ( 1.476 0.000 -1.638) 2.205 14.940 ( 7.612 0.000 -6.394) 9.941 15.210 ( 5.894 0.000 -0.244) 5.899 15.215 ( -17.261 0.000 -1.701) 17.345 15.329 ( -27.192 0.000 7.185) 28.125 16.132 ( -10.573 0.000 -0.304) 10.578 16.312 ( -17.308 0.000 2.000) 17.423 16.511 ( 0.134 0.000 -3.356) 3.359 16.578 ( -9.985 0.000 2.917) 10.402 16.690 ( 0.858 0.000 5.040) 5.113 16.887 ( -3.118 0.000 1.933) 3.668 17.262 ( 7.364 0.000 7.246) 10.331 17.328 ( 4.747 0.000 -4.912) 6.830 17.349 ( -0.810 0.000 -1.038) 1.316 17.672 ( -13.958 0.000 5.922) 15.162 18.038 ( 12.238 0.000 4.960) 13.205 18.156 ( -18.041 0.000 6.705) 19.246 18.165 ( 4.019 0.000 -3.180) 5.125 18.400 ( 1.055 0.000 -5.233) 5.339 18.630 ( 3.573 0.000 -6.369) 7.303 19.008 ( 11.306 0.000 -3.736) 11.907 19.014 ( 5.206 0.000 -7.254) 8.928 19.161 ( 4.309 0.000 -1.647) 4.613 19.316 ( -1.652 0.000 -0.530) 1.734 19.373 ( -4.106 0.000 -3.383) 5.320 19.523 ( -0.624 0.000 2.717) 2.788 19.552 ( 3.468 0.000 -1.773) 3.895 19.781 ( 0.288 0.000 -0.921) 0.965 19.800 ( 0.338 0.000 -2.820) 2.840 19.934 ( 2.534 0.000 -0.674) 2.622 20.052 ( 5.191 0.000 4.542) 6.897 20.098 ( -4.357 0.000 2.296) 4.925 20.350 ( -3.950 0.000 1.864) 4.368 20.579 ( 1.330 0.000 1.132) 1.746 20.978 ( 4.952 0.000 5.635) 7.502 21.090 ( -3.062 0.000 -8.036) 8.600 21.349 ( 4.454 0.000 1.398) 4.669 21.905 ( -0.954 0.000 -2.679) 2.844 22.057 ( -0.637 0.000 -2.514) 2.593 22.186 ( 3.833 0.000 -4.084) 5.600 22.327 ( -3.777 0.000 0.041) 3.777 22.543 ( -19.365 0.000 2.591) 19.537 22.614 ( -23.775 0.000 9.789) 25.711 22.848 ( -24.610 0.000 7.549) 25.742 23.601 ( -14.328 0.000 5.536) 15.360 24.555 ( 9.903 0.000 -0.071) 9.903 24.808 ( 17.285 0.000 1.756) 17.374 25.223 ( 2.080 0.000 -0.023) 2.080 25.847 ( 14.192 0.000 -18.240) 23.110 26.125 ( 7.203 0.000 -11.008) 13.155 26.528 ( -1.964 0.000 1.301) 2.356 26.568 ( 4.148 0.000 2.243) 4.716 26.891 ( 2.100 0.000 -0.722) 2.220 27.125 ( 1.674 0.000 -6.520) 6.732 27.212 ( 8.644 0.000 -1.316) 8.744 27.475 ( -2.755 0.000 0.608) 2.822 27.706 ( 4.093 0.000 8.337) 9.288 27.747 ( 0.743 0.000 -1.143) 1.363 27.897 ( -5.886 0.000 8.376) 10.237 28.214 ( 5.140 0.000 -7.771) 9.317 28.843 ( -7.890 0.000 1.604) 8.052 29.069 ( 4.683 0.000 -2.997) 5.560 29.179 ( 1.624 0.000 11.372) 11.488 29.394 ( 8.745 0.000 0.465) 8.758 29.534 ( 5.528 0.000 -0.470) 5.548 29.924 ( 22.251 0.000 2.064) 22.347 29.971 ( 13.179 0.000 -8.884) 15.894 30.681 ( 20.172 0.000 -3.733) 20.515 30.698 ( -2.696 0.000 3.764) 4.630 31.311 ( -15.084 0.000 5.300) 15.988 31.576 ( -12.407 0.000 -1.869) 12.547 32.086 ( 0.742 0.000 -13.161) 13.182 32.444 ( -12.088 0.000 -3.516) 12.589 32.597 ( 6.425 0.000 7.725) 10.047 32.624 ( 3.333 0.000 4.647) 5.719 33.304 ( -9.360 0.000 2.201) 9.616 33.311 ( -4.151 0.000 5.054) 6.540 33.599 ( -2.501 0.000 0.968) 2.682 33.999 ( -3.819 0.000 0.856) 3.913 34.072 ( 0.987 0.000 2.257) 2.464 34.297 ( 1.291 0.000 0.761) 1.499 38.150 ( 1.506 0.000 -6.405) 6.579 38.192 ( -1.700 0.000 -1.760) 2.447 38.290 ( -4.130 0.000 -1.605) 4.431 38.516 ( -3.878 0.000 9.550) 10.308 38.541 ( -1.491 0.000 -5.217) 5.426 38.572 ( -5.997 0.000 8.138) 10.109 38.889 ( -4.653 0.000 3.055) 5.566 39.024 ( 0.195 0.000 -2.487) 2.495 39.232 ( -2.465 0.000 2.021) 3.188 39.592 ( -1.785 0.000 -4.196) 4.560 39.683 ( 1.014 0.000 -5.038) 5.139 39.827 ( 13.279 0.000 1.603) 13.375 39.929 ( 3.747 0.000 2.622) 4.573 40.626 ( -3.514 0.000 5.198) 6.274 40.793 ( -1.133 0.000 3.355) 3.541 40.828 ( -16.245 0.000 1.860) 16.351 40.956 ( 4.395 0.000 -1.230) 4.564 41.113 ( -0.238 0.000 -11.224) 11.226 41.271 ( -1.077 0.000 -2.369) 2.603 41.434 ( 3.987 0.000 -2.312) 4.609 42.095 ( 6.745 0.000 5.265) 8.557 42.775 ( -5.459 0.000 -1.237) 5.598 42.905 ( 19.504 0.000 -6.371) 20.518 43.687 ( -6.182 0.000 19.727) 20.673 ======================= Grid point 3 (4/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 25.472 0.000 3.513) 25.713 2.151 ( 23.837 0.000 12.538) 26.934 2.526 ( 5.725 0.000 2.999) 6.463 2.925 ( -11.258 0.000 -1.361) 11.340 2.977 ( 0.493 0.000 0.043) 0.495 3.017 ( -0.076 0.000 -0.178) 0.194 3.067 ( 6.146 0.000 -0.727) 6.189 3.183 ( 16.571 0.000 6.106) 17.660 3.188 ( -7.785 0.000 2.348) 8.131 3.436 ( -7.823 0.000 1.806) 8.029 3.470 ( -1.460 0.000 -2.164) 2.611 3.562 ( -4.394 0.000 -2.085) 4.864 3.635 ( -1.238 0.000 3.318) 3.542 3.763 ( 1.823 0.000 -4.724) 5.063 3.971 ( -8.211 0.000 -8.318) 11.688 4.133 ( 4.775 0.000 0.373) 4.789 4.353 ( 1.912 0.000 4.505) 4.894 4.569 ( -0.739 0.000 -4.981) 5.035 4.601 ( 3.468 0.000 -1.431) 3.751 4.754 ( -2.825 0.000 -1.587) 3.240 4.852 ( 4.024 0.000 -0.149) 4.026 4.916 ( -4.308 0.000 -0.745) 4.372 5.121 ( 7.405 0.000 -0.858) 7.454 5.170 ( 2.909 0.000 12.061) 12.406 5.219 ( -4.021 0.000 -3.005) 5.020 5.356 ( 5.513 0.000 0.805) 5.572 5.427 ( 0.194 0.000 -3.610) 3.615 5.631 ( 13.359 0.000 -0.012) 13.359 5.663 ( -0.806 0.000 -0.353) 0.880 5.901 ( 2.280 0.000 -1.867) 2.947 5.921 ( 7.145 0.000 0.591) 7.169 6.122 ( 0.316 0.000 -1.214) 1.254 6.170 ( 0.059 0.000 -0.061) 0.085 6.218 ( -4.150 0.000 -0.627) 4.197 6.317 ( -6.622 0.000 -0.390) 6.634 6.402 ( 3.857 0.000 -9.023) 9.813 6.467 ( -9.995 0.000 0.759) 10.023 6.808 ( 9.901 0.000 -6.980) 12.114 6.932 ( -0.783 0.000 7.685) 7.725 7.160 ( 0.871 0.000 0.738) 1.142 7.199 ( 1.593 0.000 4.830) 5.086 7.322 ( -12.220 0.000 -3.673) 12.760 7.479 ( 4.468 0.000 1.116) 4.605 7.499 ( -0.667 0.000 1.968) 2.078 7.704 ( 1.657 0.000 -3.477) 3.852 7.867 ( -8.809 0.000 10.772) 13.916 8.087 ( 14.583 0.000 -0.000) 14.583 8.572 ( 9.994 0.000 -1.287) 10.076 9.075 ( 2.123 0.000 -3.436) 4.039 9.124 ( 10.637 0.000 0.746) 10.663 9.276 ( 4.692 0.000 -0.543) 4.723 9.636 ( 5.807 0.000 -0.800) 5.862 9.871 ( 7.799 0.000 -2.680) 8.246 10.333 ( 4.993 0.000 -1.967) 5.367 10.402 ( 2.848 0.000 -0.209) 2.856 10.494 ( 10.015 0.000 -0.546) 10.030 10.783 ( 4.594 0.000 1.403) 4.803 10.877 ( -0.624 0.000 8.208) 8.232 11.138 ( -2.660 0.000 -3.273) 4.218 11.443 ( -12.322 0.000 -6.870) 14.108 11.520 ( -10.297 0.000 -4.807) 11.364 11.589 ( 6.058 0.000 1.978) 6.373 12.097 ( 5.768 0.000 4.398) 7.253 12.237 ( 2.674 0.000 1.983) 3.329 12.321 ( 11.874 0.000 3.763) 12.456 12.505 ( -3.708 0.000 0.980) 3.836 12.921 ( -16.448 0.000 1.056) 16.481 12.930 ( -1.190 0.000 1.374) 1.818 13.135 ( 8.115 0.000 -7.376) 10.966 13.143 ( 1.663 0.000 6.346) 6.561 13.382 ( -0.084 0.000 0.544) 0.551 13.443 ( 2.324 0.000 -0.830) 2.468 13.587 ( -2.331 0.000 0.151) 2.336 13.789 ( -7.784 0.000 4.894) 9.195 14.220 ( -10.356 0.000 -10.112) 14.474 14.613 ( 3.746 0.000 -3.021) 4.812 14.789 ( -25.180 0.000 4.566) 25.590 14.828 ( -19.476 0.000 3.866) 19.856 15.057 ( 6.841 0.000 -4.965) 8.453 15.301 ( 3.412 0.000 0.442) 3.441 15.914 ( -7.986 0.000 -0.837) 8.030 16.180 ( -2.177 0.000 0.541) 2.243 16.420 ( -6.953 0.000 2.757) 7.479 16.492 ( -1.884 0.000 -1.024) 2.145 16.764 ( 3.336 0.000 2.215) 4.005 16.874 ( 1.501 0.000 2.551) 2.960 17.216 ( -10.522 0.000 2.320) 10.775 17.291 ( -9.363 0.000 0.533) 9.378 17.401 ( 3.253 0.000 -0.958) 3.391 17.582 ( 4.150 0.000 -1.187) 4.316 17.943 ( -2.113 0.000 3.275) 3.897 18.180 ( 5.915 0.000 -6.563) 8.835 18.362 ( 9.157 0.000 6.663) 11.325 18.374 ( -5.240 0.000 0.091) 5.241 18.699 ( 6.706 0.000 0.832) 6.757 19.072 ( 3.277 0.000 -2.954) 4.412 19.143 ( -1.799 0.000 -6.704) 6.941 19.254 ( 4.844 0.000 -1.926) 5.212 19.297 ( 0.809 0.000 -0.738) 1.095 19.318 ( 5.498 0.000 -0.750) 5.549 19.507 ( -1.852 0.000 1.220) 2.218 19.549 ( -1.461 0.000 -3.239) 3.553 19.778 ( -0.055 0.000 -0.543) 0.546 19.788 ( -0.317 0.000 -0.983) 1.032 19.928 ( -0.573 0.000 -1.216) 1.344 20.026 ( -3.468 0.000 1.707) 3.866 20.193 ( 2.878 0.000 4.699) 5.511 20.292 ( -1.065 0.000 0.458) 1.159 20.649 ( 4.661 0.000 3.845) 6.042 20.966 ( -5.619 0.000 -7.827) 9.635 21.036 ( -2.281 0.000 8.212) 8.523 21.528 ( 13.816 0.000 -4.203) 14.441 21.887 ( 0.667 0.000 -1.408) 1.558 21.956 ( -8.241 0.000 -2.857) 8.723 22.128 ( -8.751 0.000 -3.151) 9.301 22.230 ( -4.161 0.000 -2.122) 4.671 22.311 ( -14.570 0.000 5.582) 15.603 22.327 ( -2.446 0.000 1.413) 2.825 22.479 ( -13.963 0.000 9.653) 16.975 23.403 ( -7.998 0.000 3.319) 8.659 24.731 ( 8.032 0.000 -0.062) 8.032 25.088 ( 9.870 0.000 1.850) 10.042 25.199 ( -3.929 0.000 0.907) 4.033 25.979 ( 7.694 0.000 -12.478) 14.660 26.171 ( 3.332 0.000 -8.831) 9.439 26.515 ( -0.778 0.000 3.977) 4.053 26.655 ( 2.777 0.000 2.340) 3.631 26.895 ( -0.093 0.000 -2.689) 2.690 27.147 ( 4.472 0.000 -8.444) 9.555 27.388 ( 6.952 0.000 2.230) 7.301 27.409 ( -4.265 0.000 1.763) 4.615 27.758 ( 0.520 0.000 0.817) 0.969 27.799 ( 1.815 0.000 5.424) 5.720 27.849 ( -3.036 0.000 5.851) 6.591 28.308 ( 8.451 0.000 -7.499) 11.298 28.690 ( -8.599 0.000 2.305) 8.903 29.158 ( 4.992 0.000 -1.643) 5.255 29.252 ( 1.351 0.000 4.965) 5.146 29.542 ( 5.625 0.000 0.450) 5.643 29.624 ( 3.518 0.000 -0.101) 3.519 30.208 ( 14.482 0.000 -7.981) 16.535 30.369 ( 20.638 0.000 1.551) 20.696 30.668 ( -1.750 0.000 1.709) 2.446 30.923 ( -1.732 0.000 -5.782) 6.036 31.151 ( 4.235 0.000 8.823) 9.787 31.335 ( -11.542 0.000 -0.479) 11.552 32.017 ( -1.279 0.000 -8.891) 8.983 32.132 ( -15.822 0.000 -3.065) 16.116 32.719 ( 2.425 0.000 4.321) 4.955 32.752 ( 5.774 0.000 5.252) 7.805 33.139 ( -8.402 0.000 2.695) 8.823 33.286 ( -0.546 0.000 2.427) 2.488 33.555 ( -2.231 0.000 1.105) 2.489 33.931 ( -2.474 0.000 -2.087) 3.236 34.094 ( 0.360 0.000 1.194) 1.247 34.304 ( -0.660 0.000 0.446) 0.797 38.142 ( 1.454 0.000 -8.086) 8.215 38.179 ( 1.887 0.000 -3.293) 3.796 38.204 ( -4.669 0.000 5.102) 6.916 38.370 ( -8.312 0.000 0.603) 8.334 38.513 ( -0.895 0.000 5.029) 5.108 38.641 ( 2.750 0.000 5.775) 6.396 38.821 ( -3.312 0.000 0.363) 3.332 39.012 ( -0.133 0.000 -1.843) 1.847 39.210 ( -0.830 0.000 1.637) 1.836 39.530 ( -2.401 0.000 -2.581) 3.525 39.672 ( 0.097 0.000 -2.377) 2.379 39.997 ( 2.921 0.000 -2.240) 3.681 40.037 ( 7.349 0.000 0.637) 7.376 40.578 ( -9.184 0.000 1.714) 9.342 40.597 ( -1.864 0.000 3.403) 3.881 40.795 ( -0.726 0.000 3.330) 3.408 41.016 ( 2.038 0.000 -0.116) 2.041 41.082 ( 0.808 0.000 -5.937) 5.992 41.244 ( -0.395 0.000 -1.906) 1.947 41.494 ( 2.806 0.000 -1.161) 3.037 42.268 ( 8.044 0.000 4.328) 9.135 42.642 ( -7.134 0.000 -2.077) 7.430 43.183 ( 12.137 0.000 -5.837) 13.468 43.660 ( -4.691 0.000 10.589) 11.581 ======================= Grid point 4 (5/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.709 ( -0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.009 ( -0.000 0.000 -0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 -0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.516 ( -0.000 0.000 -0.000) 0.000 3.607 ( 0.000 0.000 -0.000) 0.000 3.760 ( 0.000 0.000 -0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.411 ( -0.000 0.000 -0.000) 0.000 4.507 ( 0.000 0.000 -0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.672 ( -0.000 0.000 -0.000) 0.000 4.877 ( 0.000 0.000 -0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 -0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.408 ( -0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 -0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.106 ( -0.000 0.000 -0.000) 0.000 6.161 ( 0.000 0.000 -0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 -0.000) 0.000 6.907 ( -0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 -0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 0.000 -0.000) 0.000 7.216 ( 0.000 0.000 -0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 -0.000) 0.000 7.765 ( -0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 -0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 -0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.815 ( 0.000 0.000 -0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.028 ( 0.000 0.000 -0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 -0.000) 0.000 11.657 ( 0.000 0.000 -0.000) 0.000 12.143 ( 0.000 0.000 -0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 12.450 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.597 ( -0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 -0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 13.475 ( 0.000 0.000 0.000) 0.000 13.541 ( 0.000 0.000 -0.000) 0.000 13.718 ( 0.000 0.000 -0.000) 0.000 14.091 ( 0.000 0.000 -0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 14.632 ( 0.000 0.000 -0.000) 0.000 14.648 ( 0.000 0.000 -0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 0.000 0.000) 0.000 16.355 ( 0.000 0.000 0.000) 0.000 16.456 ( 0.000 0.000 -0.000) 0.000 16.806 ( 0.000 0.000 -0.000) 0.000 16.933 ( 0.000 0.000 -0.000) 0.000 17.099 ( 0.000 0.000 -0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.429 ( 0.000 0.000 0.000) 0.000 17.602 ( -0.000 0.000 0.000) 0.000 18.031 ( 0.000 0.000 -0.000) 0.000 18.231 ( 0.000 0.000 -0.000) 0.000 18.258 ( 0.000 0.000 0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.897 ( 0.000 0.000 -0.000) 0.000 18.965 ( 0.000 0.000 -0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.275 ( 0.000 0.000 0.000) 0.000 19.340 ( 0.000 0.000 -0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 19.483 ( 0.000 0.000 -0.000) 0.000 19.501 ( -0.000 0.000 -0.000) 0.000 19.777 ( 0.000 0.000 0.000) 0.000 19.783 ( 0.000 0.000 0.000) 0.000 19.918 ( 0.000 0.000 0.000) 0.000 19.995 ( -0.000 0.000 -0.000) 0.000 20.210 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 -0.000) 0.000 20.782 ( -0.000 0.000 -0.000) 0.000 20.811 ( 0.000 0.000 0.000) 0.000 21.025 ( 0.000 0.000 -0.000) 0.000 21.723 ( -0.000 0.000 0.000) 0.000 21.842 ( 0.000 0.000 -0.000) 0.000 21.914 ( 0.000 0.000 0.000) 0.000 21.991 ( 0.000 0.000 0.000) 0.000 22.072 ( 0.000 0.000 0.000) 0.000 22.214 ( 0.000 0.000 -0.000) 0.000 22.322 ( 0.000 0.000 -0.000) 0.000 22.399 ( 0.000 0.000 -0.000) 0.000 23.333 ( 0.000 0.000 0.000) 0.000 24.826 ( 0.000 0.000 -0.000) 0.000 25.143 ( -0.000 0.000 0.000) 0.000 25.191 ( 0.000 0.000 -0.000) 0.000 26.020 ( 0.000 0.000 -0.000) 0.000 26.178 ( 0.000 0.000 0.000) 0.000 26.522 ( 0.000 0.000 0.000) 0.000 26.688 ( 0.000 0.000 -0.000) 0.000 26.883 ( 0.000 0.000 -0.000) 0.000 27.180 ( 0.000 0.000 -0.000) 0.000 27.361 ( -0.000 0.000 0.000) 0.000 27.464 ( 0.000 0.000 -0.000) 0.000 27.768 ( 0.000 0.000 -0.000) 0.000 27.832 ( 0.000 0.000 -0.000) 0.000 27.835 ( 0.000 0.000 0.000) 0.000 28.407 ( 0.000 0.000 -0.000) 0.000 28.579 ( -0.000 0.000 0.000) 0.000 29.210 ( 0.000 0.000 -0.000) 0.000 29.279 ( 0.000 0.000 0.000) 0.000 29.600 ( 0.000 0.000 0.000) 0.000 29.659 ( 0.000 0.000 0.000) 0.000 30.363 ( -0.000 0.000 0.000) 0.000 30.626 ( 0.000 0.000 -0.000) 0.000 30.647 ( -0.000 0.000 0.000) 0.000 30.805 ( 0.000 0.000 0.000) 0.000 31.186 ( 0.000 0.000 -0.000) 0.000 31.311 ( 0.000 0.000 0.000) 0.000 31.921 ( 0.000 0.000 -0.000) 0.000 31.975 ( 0.000 0.000 0.000) 0.000 32.753 ( 0.000 0.000 -0.000) 0.000 32.841 ( 0.000 0.000 0.000) 0.000 33.046 ( 0.000 0.000 -0.000) 0.000 33.293 ( 0.000 0.000 0.000) 0.000 33.535 ( 0.000 0.000 0.000) 0.000 33.898 ( 0.000 0.000 -0.000) 0.000 34.101 ( 0.000 0.000 0.000) 0.000 34.294 ( 0.000 0.000 0.000) 0.000 38.129 ( 0.000 0.000 0.000) 0.000 38.176 ( 0.000 0.000 -0.000) 0.000 38.218 ( 0.000 0.000 -0.000) 0.000 38.261 ( -0.000 0.000 0.000) 0.000 38.519 ( 0.000 0.000 -0.000) 0.000 38.699 ( 0.000 0.000 0.000) 0.000 38.776 ( 0.000 0.000 -0.000) 0.000 39.005 ( 0.000 0.000 -0.000) 0.000 39.209 ( 0.000 0.000 -0.000) 0.000 39.495 ( 0.000 0.000 -0.000) 0.000 39.666 ( 0.000 0.000 -0.000) 0.000 40.019 ( 0.000 0.000 0.000) 0.000 40.110 ( 0.000 0.000 0.000) 0.000 40.495 ( 0.000 0.000 0.000) 0.000 40.588 ( 0.000 0.000 -0.000) 0.000 40.797 ( 0.000 0.000 0.000) 0.000 41.034 ( 0.000 0.000 0.000) 0.000 41.074 ( 0.000 0.000 -0.000) 0.000 41.236 ( 0.000 0.000 -0.000) 0.000 41.520 ( 0.000 0.000 -0.000) 0.000 42.408 ( 0.000 0.000 -0.000) 0.000 42.517 ( 0.000 0.000 0.000) 0.000 43.293 ( 0.000 0.000 0.000) 0.000 43.635 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.000 31.406 0.000) 31.406 0.908 ( 0.000 40.924 0.000) 40.924 1.289 ( 0.000 54.209 0.000) 54.209 1.857 ( 0.000 -19.215 0.000) 19.215 2.415 ( 0.000 -13.800 0.000) 13.800 2.865 ( 0.000 6.652 0.000) 6.652 2.904 ( 0.000 -1.103 0.000) 1.103 2.957 ( 0.000 -10.205 0.000) 10.205 3.165 ( 0.000 -8.151 0.000) 8.151 3.264 ( 0.000 -6.931 0.000) 6.931 3.607 ( 0.000 -1.294 0.000) 1.294 3.630 ( 0.000 -2.115 0.000) 2.115 3.788 ( 0.000 -1.236 0.000) 1.236 3.890 ( 0.000 0.289 0.000) 0.289 4.043 ( 0.000 -0.214 0.000) 0.214 4.090 ( 0.000 -4.081 0.000) 4.081 4.283 ( 0.000 -0.945 0.000) 0.945 4.303 ( 0.000 -1.587 0.000) 1.587 4.429 ( 0.000 1.507 0.000) 1.507 4.516 ( 0.000 -2.041 0.000) 2.041 4.557 ( 0.000 3.340 0.000) 3.340 4.722 ( 0.000 -1.712 0.000) 1.712 4.966 ( 0.000 -2.686 0.000) 2.686 5.016 ( 0.000 -3.139 0.000) 3.139 5.274 ( 0.000 8.452 0.000) 8.452 5.322 ( 0.000 3.505 0.000) 3.505 5.481 ( 0.000 -4.609 0.000) 4.609 5.481 ( 0.000 2.230 0.000) 2.230 5.659 ( 0.000 -1.402 0.000) 1.402 5.718 ( 0.000 -2.059 0.000) 2.059 5.836 ( 0.000 5.221 0.000) 5.221 6.213 ( 0.000 0.205 0.000) 0.205 6.219 ( 0.000 -3.382 0.000) 3.382 6.334 ( 0.000 -7.303 0.000) 7.303 6.523 ( 0.000 4.096 0.000) 4.096 6.622 ( 0.000 -1.590 0.000) 1.590 6.641 ( 0.000 -0.498 0.000) 0.498 6.695 ( 0.000 2.532 0.000) 2.532 7.001 ( 0.000 10.729 0.000) 10.729 7.189 ( 0.000 3.123 0.000) 3.123 7.270 ( 0.000 2.728 0.000) 2.728 7.392 ( 0.000 -0.436 0.000) 0.436 7.517 ( 0.000 -6.218 0.000) 6.218 7.566 ( 0.000 -4.908 0.000) 4.908 7.905 ( 0.000 2.101 0.000) 2.101 7.951 ( 0.000 0.897 0.000) 0.897 8.218 ( 0.000 2.101 0.000) 2.101 8.437 ( 0.000 -5.476 0.000) 5.476 8.792 ( 0.000 1.656 0.000) 1.656 8.842 ( 0.000 0.521 0.000) 0.521 9.082 ( 0.000 1.012 0.000) 1.012 9.095 ( 0.000 0.062 0.000) 0.062 9.767 ( 0.000 8.609 0.000) 8.609 10.015 ( 0.000 -2.195 0.000) 2.195 10.092 ( 0.000 4.950 0.000) 4.950 10.289 ( 0.000 -0.663 0.000) 0.663 10.384 ( 0.000 2.222 0.000) 2.222 10.937 ( 0.000 5.563 0.000) 5.563 10.958 ( 0.000 -20.909 0.000) 20.909 11.241 ( 0.000 -5.799 0.000) 5.799 11.780 ( 0.000 -0.241 0.000) 0.241 11.836 ( 0.000 -0.832 0.000) 0.832 11.965 ( 0.000 4.126 0.000) 4.126 12.028 ( 0.000 0.448 0.000) 0.448 12.552 ( 0.000 0.664 0.000) 0.664 12.665 ( 0.000 -3.246 0.000) 3.246 12.685 ( 0.000 3.961 0.000) 3.961 12.699 ( 0.000 7.087 0.000) 7.087 12.924 ( 0.000 -0.787 0.000) 0.787 13.036 ( 0.000 -7.644 0.000) 7.644 13.307 ( 0.000 0.006 0.000) 0.006 13.501 ( 0.000 -6.308 0.000) 6.308 13.700 ( 0.000 13.218 0.000) 13.218 14.307 ( 0.000 -3.626 0.000) 3.626 14.712 ( 0.000 6.508 0.000) 6.508 14.817 ( 0.000 -8.956 0.000) 8.956 14.880 ( 0.000 2.465 0.000) 2.465 15.167 ( 0.000 -1.733 0.000) 1.733 15.421 ( 0.000 5.654 0.000) 5.654 15.582 ( 0.000 -2.289 0.000) 2.289 16.409 ( 0.000 1.929 0.000) 1.929 16.473 ( 0.000 -3.638 0.000) 3.638 16.764 ( 0.000 -1.898 0.000) 1.898 16.774 ( 0.000 1.095 0.000) 1.095 16.949 ( 0.000 -7.539 0.000) 7.539 16.971 ( 0.000 -1.687 0.000) 1.687 17.234 ( 0.000 3.796 0.000) 3.796 17.260 ( 0.000 -0.288 0.000) 0.288 17.456 ( 0.000 0.893 0.000) 0.893 17.537 ( 0.000 -1.528 0.000) 1.528 17.948 ( 0.000 15.890 0.000) 15.890 18.071 ( 0.000 5.525 0.000) 5.525 18.466 ( 0.000 -5.286 0.000) 5.286 18.600 ( 0.000 -0.801 0.000) 0.801 18.696 ( 0.000 -4.231 0.000) 4.231 18.815 ( 0.000 -2.246 0.000) 2.246 18.901 ( 0.000 4.178 0.000) 4.178 19.107 ( 0.000 2.726 0.000) 2.726 19.271 ( 0.000 -5.123 0.000) 5.123 19.321 ( 0.000 -1.537 0.000) 1.537 19.418 ( 0.000 0.017 0.000) 0.017 19.435 ( 0.000 -1.765 0.000) 1.765 19.714 ( 0.000 -1.722 0.000) 1.722 19.724 ( 0.000 -2.986 0.000) 2.986 19.904 ( 0.000 5.730 0.000) 5.730 20.044 ( 0.000 -1.537 0.000) 1.537 20.209 ( 0.000 2.018 0.000) 2.018 20.317 ( 0.000 -4.076 0.000) 4.076 20.624 ( 0.000 3.808 0.000) 3.808 20.763 ( 0.000 -1.478 0.000) 1.478 21.240 ( 0.000 2.744 0.000) 2.744 21.393 ( 0.000 -3.413 0.000) 3.413 21.972 ( 0.000 -0.662 0.000) 0.662 21.975 ( 0.000 -1.998 0.000) 1.998 22.193 ( 0.000 6.012 0.000) 6.012 22.372 ( 0.000 -2.061 0.000) 2.061 23.214 ( 0.000 4.707 0.000) 4.707 23.338 ( 0.000 0.261 0.000) 0.261 23.470 ( 0.000 1.255 0.000) 1.255 23.754 ( 0.000 -9.530 0.000) 9.530 24.217 ( 0.000 0.529 0.000) 0.529 24.321 ( 0.000 -2.150 0.000) 2.150 25.219 ( 0.000 15.166 0.000) 15.166 25.913 ( 0.000 -13.279 0.000) 13.279 25.950 ( 0.000 4.902 0.000) 4.902 26.331 ( 0.000 -11.246 0.000) 11.246 26.629 ( 0.000 8.940 0.000) 8.940 26.869 ( 0.000 1.639 0.000) 1.639 27.108 ( 0.000 -3.796 0.000) 3.796 27.118 ( 0.000 -4.072 0.000) 4.072 27.514 ( 0.000 9.230 0.000) 9.230 27.786 ( 0.000 2.510 0.000) 2.510 28.014 ( 0.000 -0.742 0.000) 0.742 28.086 ( 0.000 -6.407 0.000) 6.407 28.479 ( 0.000 8.310 0.000) 8.310 28.849 ( 0.000 -0.525 0.000) 0.525 28.929 ( 0.000 -4.990 0.000) 4.990 29.017 ( 0.000 -3.008 0.000) 3.008 29.189 ( 0.000 2.197 0.000) 2.197 29.245 ( 0.000 -0.171 0.000) 0.171 29.407 ( 0.000 1.557 0.000) 1.557 29.520 ( 0.000 -3.112 0.000) 3.112 30.114 ( 0.000 1.511 0.000) 1.511 30.126 ( 0.000 1.496 0.000) 1.496 31.527 ( 0.000 3.072 0.000) 3.072 31.821 ( 0.000 -10.129 0.000) 10.129 32.322 ( 0.000 11.126 0.000) 11.126 32.354 ( 0.000 0.547 0.000) 0.547 32.384 ( 0.000 -0.563 0.000) 0.563 32.733 ( 0.000 -6.668 0.000) 6.668 33.490 ( 0.000 2.594 0.000) 2.594 33.600 ( 0.000 -1.678 0.000) 1.678 33.811 ( 0.000 1.014 0.000) 1.014 33.831 ( 0.000 0.444 0.000) 0.444 34.079 ( 0.000 1.686 0.000) 1.686 34.190 ( 0.000 -2.215 0.000) 2.215 38.161 ( 0.000 0.669 0.000) 0.669 38.227 ( 0.000 -2.413 0.000) 2.413 38.352 ( 0.000 3.247 0.000) 3.247 38.467 ( 0.000 -1.825 0.000) 1.825 38.651 ( 0.000 2.312 0.000) 2.312 38.742 ( 0.000 -3.610 0.000) 3.610 38.904 ( 0.000 -0.219 0.000) 0.219 39.025 ( 0.000 -9.036 0.000) 9.036 39.300 ( 0.000 7.907 0.000) 7.907 39.469 ( 0.000 5.610 0.000) 5.610 39.667 ( 0.000 0.621 0.000) 0.621 39.717 ( 0.000 0.487 0.000) 0.487 40.258 ( 0.000 -0.219 0.000) 0.219 40.351 ( 0.000 -3.516 0.000) 3.516 40.839 ( 0.000 3.977 0.000) 3.977 40.988 ( 0.000 -0.712 0.000) 0.712 41.060 ( 0.000 1.244 0.000) 1.244 41.212 ( 0.000 -3.769 0.000) 3.769 41.356 ( 0.000 -0.254 0.000) 0.254 41.376 ( 0.000 -0.302 0.000) 0.302 42.196 ( 0.000 2.206 0.000) 2.206 42.359 ( 0.000 -4.401 0.000) 4.401 42.946 ( 0.000 4.169 0.000) 4.169 43.108 ( 0.000 -2.274 0.000) 2.274 ======================= Grid point 10 (7/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 18.290 28.447 -3.575) 34.008 1.241 ( 25.388 27.288 11.306) 38.949 1.858 ( 36.751 12.981 9.917) 40.218 2.136 ( 28.352 -2.798 8.401) 29.702 2.504 ( 8.032 -13.526 1.025) 15.764 2.875 ( -0.177 -0.806 0.250) 0.862 2.891 ( 9.072 5.508 -2.645) 10.938 3.029 ( 2.807 -4.175 -1.376) 5.215 3.202 ( 1.561 -2.800 0.955) 3.345 3.289 ( 3.446 -4.009 -1.497) 5.494 3.559 ( -1.601 -1.381 -4.628) 5.088 3.710 ( 1.625 -6.498 5.038) 8.382 3.831 ( 6.835 3.049 -1.828) 7.704 3.840 ( -4.641 1.094 2.233) 5.265 3.960 ( -5.858 -0.901 0.162) 5.929 4.133 ( -1.746 -4.860 -1.136) 5.288 4.281 ( 4.436 -0.365 -1.242) 4.621 4.312 ( 3.569 -1.550 0.716) 3.956 4.419 ( 4.411 2.424 -4.381) 6.673 4.611 ( 3.264 -4.058 -3.930) 6.524 4.660 ( 9.580 -0.344 -1.167) 9.657 4.788 ( 3.741 -2.419 -1.736) 4.781 4.962 ( -0.293 -2.262 -2.900) 3.689 5.027 ( 2.058 -2.197 0.957) 3.159 5.251 ( -2.624 7.326 4.646) 9.064 5.360 ( 1.757 0.688 2.756) 3.340 5.429 ( -3.830 -3.141 -6.273) 7.993 5.544 ( 3.258 -3.535 6.254) 7.889 5.658 ( 3.018 3.201 -0.236) 4.406 5.774 ( 2.646 1.195 -5.649) 6.352 5.840 ( 0.747 4.617 4.611) 6.568 6.075 ( -3.636 9.325 -7.661) 12.605 6.232 ( 1.645 -1.768 -2.507) 3.481 6.333 ( -4.942 0.008 1.634) 5.205 6.474 ( -2.020 -4.604 13.745) 14.636 6.524 ( -6.614 -3.981 -8.226) 11.281 6.699 ( 1.065 0.421 1.146) 1.620 6.739 ( 3.290 0.731 1.842) 3.841 6.950 ( -3.235 7.306 -2.366) 8.333 7.103 ( -11.461 2.843 1.663) 11.925 7.210 ( -1.007 4.634 1.773) 5.063 7.302 ( -2.221 -4.556 -6.742) 8.435 7.586 ( 0.546 -1.558 6.285) 6.498 7.632 ( 5.029 -3.758 1.069) 6.368 7.846 ( -5.574 2.622 3.206) 6.944 7.905 ( -4.155 2.605 -4.575) 6.707 8.188 ( -0.759 -2.530 -1.911) 3.260 8.239 ( -14.332 -2.495 4.545) 15.241 8.875 ( 6.005 1.699 -1.571) 6.435 8.957 ( 7.571 1.310 -2.658) 8.130 9.092 ( 1.669 0.396 -1.884) 2.548 9.189 ( 9.805 -3.285 -0.558) 10.355 9.784 ( 4.110 9.880 -6.627) 12.587 10.083 ( 6.369 -2.356 -0.356) 6.800 10.141 ( 5.660 3.695 -1.946) 7.034 10.324 ( 3.412 0.501 -1.009) 3.593 10.452 ( 6.547 1.318 2.068) 6.992 10.921 ( -2.041 -5.014 6.100) 8.156 10.985 ( 2.594 -9.293 -4.520) 10.655 11.272 ( 2.283 -5.326 4.339) 7.239 11.720 ( -1.552 0.324 -4.242) 4.528 11.845 ( -2.688 -2.300 -0.161) 3.541 11.950 ( -0.513 3.214 1.179) 3.462 12.015 ( -1.138 0.057 2.522) 2.768 12.476 ( -4.512 3.762 -4.713) 7.531 12.611 ( -3.066 -2.285 -0.901) 3.929 12.749 ( 3.501 1.549 5.165) 6.429 12.783 ( 5.031 4.632 5.103) 8.533 12.972 ( 4.391 -1.409 -4.667) 6.561 13.093 ( 3.846 -7.545 6.609) 10.743 13.318 ( 0.267 1.269 5.003) 5.168 13.509 ( -0.175 -3.298 2.279) 4.012 13.706 ( 0.556 13.070 -0.830) 13.108 14.251 ( -5.773 -0.578 -3.073) 6.565 14.674 ( -5.532 7.881 1.570) 9.755 14.792 ( -3.050 -3.897 -7.592) 9.062 14.820 ( -2.480 -7.939 -3.339) 8.962 15.023 ( -5.167 -3.901 -2.246) 6.853 15.491 ( 0.765 4.396 -3.511) 5.678 15.591 ( -3.059 0.588 4.693) 5.633 16.349 ( -5.061 3.015 -0.302) 5.899 16.498 ( 1.225 -2.453 -1.318) 3.042 16.673 ( -12.453 -3.325 -2.276) 13.089 16.695 ( -8.576 -3.223 4.740) 10.315 16.824 ( -11.301 2.178 4.406) 12.324 16.936 ( -3.373 0.396 4.962) 6.014 17.135 ( -4.390 0.905 2.486) 5.125 17.266 ( -7.715 -5.294 8.913) 12.922 17.413 ( 5.060 5.499 -7.022) 10.255 17.612 ( 6.616 -2.990 3.226) 7.945 18.031 ( 6.760 11.415 1.793) 13.387 18.095 ( -1.948 0.093 -2.965) 3.549 18.349 ( -11.913 -6.544 1.246) 13.649 18.550 ( 0.727 3.842 -6.293) 7.409 18.625 ( -7.491 -3.813 0.404) 8.416 18.796 ( 4.030 -3.170 -3.631) 6.283 18.963 ( 6.836 3.590 -7.376) 10.678 19.163 ( 4.663 3.413 -1.135) 5.889 19.301 ( -0.077 -1.533 0.084) 1.537 19.379 ( 0.959 -1.884 1.846) 2.807 19.466 ( 4.546 -1.211 0.040) 4.705 19.537 ( 9.833 -3.382 -0.948) 10.441 19.692 ( -2.263 -0.804 0.616) 2.480 19.753 ( 3.516 -2.014 1.334) 4.266 19.904 ( -0.124 4.743 -1.052) 4.860 20.011 ( -2.609 -0.923 -0.900) 2.910 20.192 ( -1.868 1.208 1.114) 2.488 20.320 ( -0.880 -5.127 0.378) 5.216 20.634 ( 1.194 5.061 0.401) 5.216 20.816 ( 5.359 -2.106 0.680) 5.798 21.201 ( -2.420 2.196 -4.593) 5.637 21.310 ( -4.777 -1.712 0.751) 5.130 21.943 ( -1.020 0.202 -1.728) 2.016 22.010 ( 1.336 -3.151 0.826) 3.521 22.172 ( -0.481 5.440 -0.376) 5.474 22.351 ( -2.258 -2.336 0.759) 3.336 22.983 ( -20.313 4.119 3.387) 21.002 23.071 ( -24.434 0.722 9.719) 26.306 23.318 ( -15.515 3.860 1.405) 16.050 23.690 ( -9.064 -11.669 3.024) 15.082 24.402 ( 14.062 1.931 -2.356) 14.388 24.468 ( 14.275 0.546 -0.565) 14.297 25.273 ( 4.403 12.329 -1.138) 13.141 25.741 ( -2.883 -1.676 -9.006) 9.603 26.065 ( 11.688 4.949 -7.084) 14.536 26.376 ( 3.434 -8.808 -3.730) 10.163 26.643 ( 0.567 8.048 3.820) 8.927 26.908 ( 2.837 2.330 0.445) 3.698 27.056 ( -1.724 -4.429 -4.218) 6.355 27.134 ( 3.931 -2.766 -8.637) 9.884 27.496 ( -2.317 3.261 0.665) 4.056 27.710 ( -9.074 1.733 -6.661) 11.389 27.830 ( -1.582 7.354 1.638) 7.698 27.972 ( -5.873 0.024 5.388) 7.970 28.292 ( 1.911 10.648 -8.575) 13.804 28.832 ( -2.734 -9.943 -6.526) 12.204 29.050 ( 0.685 0.043 6.207) 6.245 29.065 ( 1.421 -0.650 14.599) 14.682 29.283 ( 6.160 3.722 2.269) 7.546 29.427 ( 4.993 -1.338 -0.791) 5.229 29.531 ( 14.070 -0.122 6.118) 15.343 29.729 ( 12.495 -7.976 -5.669) 15.871 30.317 ( 16.103 0.452 1.533) 16.182 30.424 ( 15.683 -11.718 9.108) 21.592 31.473 ( -4.034 1.719 -5.494) 7.029 31.849 ( 2.806 -13.888 -9.819) 17.238 32.137 ( -12.653 14.758 -1.699) 19.513 32.438 ( 5.810 0.353 6.191) 8.497 32.463 ( 4.172 -0.281 3.259) 5.302 32.640 ( -8.072 -7.163 -2.172) 11.009 33.434 ( -7.435 3.090 8.258) 11.533 33.520 ( -9.868 1.179 5.497) 11.357 33.672 ( 0.232 4.416 -11.251) 12.089 33.869 ( -0.452 -6.209 0.103) 6.226 34.143 ( 2.311 3.157 7.050) 8.063 34.276 ( 2.231 -0.693 5.838) 6.288 38.111 ( -1.633 -1.331 -1.836) 2.795 38.185 ( -3.781 -3.608 -0.506) 5.251 38.377 ( 1.960 2.777 -3.165) 4.645 38.487 ( 1.310 -1.519 2.332) 3.076 38.580 ( -5.065 1.812 6.494) 8.432 38.745 ( -8.490 -4.511 -2.450) 9.921 38.876 ( 2.129 -1.424 2.718) 3.735 39.090 ( 1.758 -4.450 1.163) 4.924 39.265 ( -2.212 7.481 -1.010) 7.866 39.556 ( 4.061 -1.552 -1.650) 4.650 39.703 ( 4.972 4.922 3.463) 7.806 39.726 ( 1.614 2.629 -6.606) 7.290 40.037 ( -8.540 11.278 7.296) 15.917 40.478 ( 3.313 -11.560 2.223) 12.229 40.882 ( 0.052 2.036 -0.495) 2.096 40.906 ( -0.102 4.711 -7.213) 8.616 41.011 ( -3.697 -1.850 2.583) 4.874 41.159 ( -6.911 -8.359 -3.392) 11.364 41.320 ( -2.442 0.420 0.952) 2.655 41.368 ( 0.709 -1.380 -3.333) 3.676 42.110 ( -3.051 8.148 -2.324) 9.006 42.437 ( 10.989 -6.151 -5.082) 13.580 42.985 ( 4.774 8.875 0.718) 10.103 43.423 ( 8.562 -14.284 22.593) 28.067 ======================= Grid point 11 (8/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 25.379 14.677 1.549) 29.358 1.777 ( 22.935 17.040 13.582) 31.636 2.250 ( 12.222 -10.174 0.756) 15.920 2.605 ( 9.917 -17.977 -0.244) 20.532 2.903 ( 5.413 2.483 3.690) 7.006 3.019 ( 4.758 1.175 0.129) 4.903 3.043 ( 14.610 7.696 -4.288) 17.061 3.123 ( 18.586 9.151 7.652) 22.085 3.216 ( -0.032 2.025 2.770) 3.432 3.380 ( 4.558 1.135 1.122) 4.829 3.506 ( -1.859 0.342 -2.839) 3.411 3.703 ( -6.342 1.299 -2.748) 7.033 3.767 ( -4.973 -0.506 8.953) 10.254 3.821 ( -4.560 -1.585 -1.049) 4.940 3.963 ( 4.225 -2.912 0.809) 5.195 4.068 ( -3.538 -6.175 -0.914) 7.175 4.305 ( -0.022 -0.403 3.078) 3.105 4.468 ( 5.026 -5.663 -2.773) 8.063 4.507 ( 7.355 1.770 -2.493) 7.965 4.712 ( 10.186 -4.465 -1.757) 11.260 4.815 ( 6.451 1.391 -9.001) 11.161 4.850 ( 7.211 0.853 -2.604) 7.714 4.966 ( 1.760 -0.005 -0.720) 1.901 5.044 ( -1.490 0.371 3.149) 3.504 5.248 ( -7.722 -6.221 -4.545) 10.908 5.300 ( 2.559 -2.148 3.667) 4.961 5.406 ( 2.612 0.762 2.476) 3.679 5.661 ( 3.752 3.324 2.924) 5.804 5.711 ( -0.954 -0.361 -7.886) 7.952 5.777 ( 6.907 6.713 0.430) 9.641 5.893 ( 1.712 6.049 2.313) 6.699 6.076 ( 3.427 1.879 1.688) 4.257 6.232 ( -4.192 0.085 3.534) 5.484 6.264 ( 2.217 4.137 -8.960) 10.115 6.339 ( -5.018 -6.355 -6.346) 10.287 6.516 ( -3.774 -5.624 -2.578) 7.247 6.630 ( -4.613 3.626 -1.903) 6.168 6.762 ( -0.750 3.755 2.473) 4.559 6.945 ( -0.392 1.567 2.367) 2.866 6.969 ( 0.110 -2.825 3.898) 4.816 7.193 ( 0.682 0.016 5.221) 5.266 7.306 ( 1.831 -2.652 -1.777) 3.680 7.574 ( -4.901 2.025 6.240) 8.189 7.695 ( -2.136 -2.284 -1.718) 3.568 7.715 ( -7.037 4.729 -2.559) 8.856 7.830 ( 0.211 0.610 3.121) 3.187 8.037 ( -4.237 2.289 4.396) 6.520 8.279 ( 10.064 -6.302 -1.487) 11.967 8.974 ( 5.892 2.514 -1.790) 6.652 9.077 ( 7.034 2.421 -4.384) 8.634 9.138 ( 4.320 -1.414 -2.498) 5.187 9.394 ( 9.855 -6.811 -1.077) 12.028 9.861 ( 6.910 10.826 -5.395) 13.930 10.218 ( 7.153 -1.153 -1.885) 7.487 10.276 ( 9.000 -0.046 -2.579) 9.363 10.390 ( 3.712 1.766 -0.577) 4.151 10.625 ( 8.576 -0.052 2.930) 9.063 10.926 ( -1.422 -4.932 7.035) 8.709 11.006 ( 2.320 -4.263 -4.630) 6.708 11.375 ( 4.938 -6.488 5.967) 10.104 11.657 ( -4.021 -2.129 -3.828) 5.946 11.705 ( -9.272 -1.321 -5.559) 10.891 11.984 ( 3.025 1.791 2.645) 4.399 12.055 ( 4.110 -1.587 4.047) 5.982 12.368 ( -4.407 5.297 -0.865) 6.945 12.542 ( -4.154 -2.829 1.223) 5.172 12.841 ( 2.605 -1.378 2.688) 3.989 12.909 ( 3.898 -0.725 3.752) 5.459 13.046 ( 6.598 0.912 -3.467) 7.509 13.193 ( 0.672 -5.574 8.772) 10.415 13.378 ( 2.104 3.404 5.555) 6.846 13.506 ( -1.374 1.940 0.858) 2.527 13.685 ( -2.110 10.609 -4.329) 11.651 14.062 ( -9.816 5.168 -0.311) 11.098 14.467 ( -14.151 -2.640 -10.168) 17.624 14.658 ( 0.569 5.667 -2.552) 6.241 14.869 ( 3.622 -8.258 -1.779) 9.191 14.984 ( -0.509 -10.736 -1.858) 10.908 15.332 ( -18.917 2.786 -1.076) 19.151 15.354 ( -20.241 2.016 4.867) 20.915 16.209 ( -11.073 6.503 -1.625) 12.944 16.323 ( -11.576 1.695 2.125) 11.891 16.481 ( -3.702 -4.576 -0.004) 5.886 16.542 ( -6.127 -2.613 -2.589) 7.146 16.738 ( -0.423 4.404 3.089) 5.396 16.920 ( -2.511 2.568 7.273) 8.112 17.109 ( 3.171 -6.486 0.586) 7.243 17.268 ( -2.265 -5.625 8.895) 10.766 17.509 ( 7.630 8.237 -2.547) 11.513 17.670 ( -8.980 0.600 5.535) 10.565 17.971 ( -3.397 -8.046 -0.710) 8.762 18.071 ( -10.699 -6.789 2.091) 12.842 18.188 ( 7.158 9.042 -5.616) 12.828 18.574 ( 3.286 -5.166 -6.073) 8.624 18.594 ( 5.014 11.396 -0.866) 12.480 18.921 ( 9.224 -5.336 -3.274) 11.148 19.030 ( 3.374 2.559 -4.195) 5.961 19.242 ( 2.483 -1.271 -1.198) 3.035 19.287 ( 1.304 3.436 -0.824) 3.766 19.370 ( -1.586 1.699 -0.628) 2.407 19.528 ( 0.404 -2.240 1.640) 2.806 19.653 ( -0.701 5.305 0.388) 5.365 19.688 ( 4.799 -4.776 -2.220) 7.125 19.870 ( 5.471 0.028 -0.747) 5.522 19.887 ( -0.463 -0.052 2.412) 2.457 19.955 ( -2.045 -0.596 -1.935) 2.878 20.140 ( -3.796 -1.258 1.083) 4.143 20.270 ( -3.700 -6.581 -0.567) 7.571 20.690 ( 4.099 8.330 1.628) 9.425 20.955 ( 5.877 -2.347 4.233) 7.614 21.114 ( -3.570 2.021 -5.402) 6.783 21.285 ( 2.986 -5.179 -0.947) 6.053 21.909 ( -1.768 0.713 -0.929) 2.120 22.019 ( -0.997 -3.849 -0.332) 3.989 22.165 ( -1.046 1.039 -1.591) 2.170 22.286 ( -5.380 -2.972 -0.432) 6.162 22.593 ( -20.251 3.412 6.125) 21.430 22.630 ( -23.189 1.082 9.134) 24.947 22.980 ( -18.199 9.722 3.223) 20.883 23.476 ( -12.692 -10.376 4.185) 16.919 24.627 ( 10.507 5.285 -1.208) 11.823 24.790 ( 16.023 -1.721 0.737) 16.132 25.324 ( 0.453 8.511 0.023) 8.523 25.743 ( 5.443 -7.924 -10.839) 14.488 26.236 ( 10.342 6.735 -13.817) 18.526 26.426 ( 3.705 -4.670 -4.019) 7.189 26.683 ( 1.874 6.521 2.992) 7.416 26.960 ( 1.349 6.162 -0.020) 6.308 27.040 ( 2.204 -6.971 -4.291) 8.477 27.215 ( 8.402 -1.454 -3.813) 9.341 27.439 ( -3.120 -1.107 0.261) 3.321 27.627 ( 0.164 -4.877 0.249) 4.886 27.842 ( -0.748 4.337 5.297) 6.887 27.893 ( -5.341 0.450 8.543) 10.085 28.320 ( 4.935 9.072 -7.835) 12.963 28.757 ( -2.897 -7.422 -3.218) 8.593 29.087 ( 1.916 1.405 1.781) 2.969 29.162 ( 1.841 -1.441 9.099) 9.394 29.430 ( 7.637 2.903 0.959) 8.226 29.527 ( 5.523 -0.754 -0.523) 5.599 29.893 ( 18.255 -1.169 1.079) 18.325 29.970 ( 18.023 -1.757 -6.514) 19.244 30.593 ( 4.728 -3.102 1.990) 5.995 30.688 ( 15.434 -2.948 4.023) 16.220 31.327 ( -7.798 4.971 -4.086) 10.110 31.728 ( -11.536 2.591 -2.038) 11.997 31.959 ( -1.987 -2.455 -9.923) 10.413 32.370 ( -13.370 -7.272 -4.833) 15.968 32.591 ( 5.552 -0.269 7.254) 9.139 32.612 ( 4.219 -0.968 5.867) 7.291 33.318 ( -8.665 1.907 6.981) 11.289 33.357 ( -8.436 1.800 5.761) 10.373 33.641 ( -0.544 3.806 -2.503) 4.588 33.864 ( 0.641 -6.612 -2.755) 7.192 34.189 ( -1.199 5.274 5.042) 7.394 34.308 ( -0.371 0.220 1.966) 2.013 38.087 ( 0.294 -3.687 -4.787) 6.049 38.116 ( -2.060 -3.908 -0.859) 4.501 38.373 ( -1.547 4.732 -1.390) 5.168 38.508 ( -2.921 -0.606 7.568) 8.135 38.557 ( -3.440 -0.274 -3.536) 4.941 38.565 ( -4.162 -0.711 9.118) 10.049 38.878 ( -2.748 0.805 3.140) 4.250 39.083 ( -1.220 -0.611 -2.447) 2.802 39.219 ( -2.049 4.360 0.764) 4.877 39.551 ( -2.238 -4.144 -1.691) 5.005 39.705 ( 1.022 2.514 -7.204) 7.698 39.818 ( 2.426 -0.475 -3.216) 4.056 40.083 ( 8.128 10.857 6.535) 15.055 40.535 ( 0.372 -7.463 8.280) 11.153 40.813 ( -2.845 0.829 -1.855) 3.496 40.836 ( -11.743 0.417 4.855) 12.713 40.971 ( 4.039 1.540 -2.179) 4.841 41.080 ( 1.427 -2.625 -8.410) 8.925 41.287 ( -1.110 1.323 -1.711) 2.431 41.396 ( 3.066 -3.118 -2.142) 4.869 42.126 ( 3.277 3.968 2.407) 5.682 42.537 ( 1.405 -12.801 -4.258) 13.564 43.144 ( 10.505 12.528 -1.158) 16.391 43.586 ( 0.229 -8.056 14.081) 16.225 ======================= Grid point 12 (9/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 22.801 6.750 1.606) 23.833 2.237 ( 16.981 4.422 9.409) 19.911 2.468 ( 9.841 -3.994 0.086) 10.621 2.723 ( 0.785 -11.616 0.221) 11.644 2.996 ( 1.373 1.964 0.270) 2.412 3.058 ( 1.523 0.489 0.602) 1.709 3.152 ( 5.528 3.186 -1.812) 6.633 3.198 ( -1.050 3.135 1.684) 3.711 3.261 ( -3.334 6.045 5.142) 8.608 3.459 ( -1.331 -0.548 -0.749) 1.623 3.512 ( -8.934 0.868 1.635) 9.124 3.574 ( 1.813 7.982 0.009) 8.185 3.682 ( -3.743 1.720 -1.531) 4.395 3.802 ( 3.099 2.777 0.256) 4.169 3.945 ( -8.229 -3.271 -4.142) 9.776 4.045 ( 3.692 -7.731 1.427) 8.685 4.346 ( 2.621 0.163 1.495) 3.022 4.490 ( 0.395 -4.572 1.312) 4.773 4.641 ( 4.614 1.458 -5.431) 7.274 4.750 ( -3.446 -0.884 -2.025) 4.094 4.855 ( -0.351 0.492 1.519) 1.635 4.917 ( -1.628 0.707 -4.660) 4.986 5.050 ( 5.466 -3.866 2.577) 7.174 5.054 ( -1.587 -4.702 3.562) 6.109 5.185 ( 6.131 -2.894 -1.019) 6.856 5.353 ( -0.032 -8.793 3.626) 9.512 5.495 ( -3.126 9.308 -1.950) 10.010 5.621 ( 11.062 4.116 -3.254) 12.244 5.852 ( 5.318 3.430 0.711) 6.368 5.875 ( 3.438 4.317 -0.762) 5.571 5.944 ( 3.880 0.864 0.610) 4.022 6.133 ( -0.561 -0.114 2.070) 2.148 6.183 ( -0.674 0.908 1.090) 1.571 6.205 ( -3.321 -0.555 -2.647) 4.283 6.297 ( -1.704 -0.833 -3.478) 3.962 6.336 ( -5.185 -2.277 -7.075) 9.063 6.592 ( 1.633 5.868 -3.356) 6.954 6.831 ( 7.715 -0.269 -3.279) 8.387 6.918 ( -3.065 1.447 5.534) 6.490 7.058 ( 3.969 -4.721 2.017) 6.489 7.235 ( -6.637 -3.131 -1.292) 7.451 7.297 ( 2.262 1.912 5.613) 6.346 7.481 ( -4.519 0.874 3.867) 6.011 7.573 ( -3.458 3.493 -1.942) 5.285 7.698 ( 1.440 -0.660 -1.975) 2.532 7.793 ( -5.185 -4.242 6.963) 9.662 8.189 ( 12.720 7.336 0.782) 14.704 8.503 ( 10.786 -5.725 -1.385) 12.290 9.096 ( 6.093 2.058 -3.024) 7.106 9.184 ( 6.816 5.082 -0.825) 8.542 9.235 ( 6.283 -3.341 -1.916) 7.370 9.535 ( 5.220 -8.391 -1.072) 9.940 9.980 ( 6.423 10.002 -1.321) 11.960 10.321 ( 4.013 -1.317 -1.160) 4.380 10.418 ( 5.598 0.234 -1.882) 5.911 10.494 ( 8.164 0.742 0.466) 8.211 10.768 ( 3.885 -1.340 1.727) 4.458 10.915 ( -3.570 -6.116 4.642) 8.467 11.026 ( 1.553 1.543 -2.914) 3.645 11.454 ( -7.087 -3.132 -0.082) 7.748 11.493 ( -4.856 -1.375 -1.047) 5.154 11.529 ( -2.369 -3.680 -3.827) 5.814 12.099 ( 6.897 1.220 1.965) 7.275 12.212 ( 9.102 -2.527 3.386) 10.035 12.325 ( 0.585 1.919 2.458) 3.172 12.465 ( -4.060 -2.849 1.150) 5.091 12.830 ( -7.402 -3.838 2.273) 8.642 12.902 ( -5.820 -3.934 1.527) 7.189 13.173 ( 2.596 1.757 3.863) 4.975 13.216 ( 3.594 2.846 -1.381) 4.787 13.401 ( -2.565 1.754 0.409) 3.134 13.455 ( -0.434 1.627 -3.769) 4.128 13.628 ( -1.621 4.730 -0.908) 5.081 13.959 ( -1.390 8.122 1.421) 8.362 14.169 ( -10.161 1.628 -6.978) 12.434 14.693 ( 2.018 5.660 -2.579) 6.539 14.764 ( -15.465 -5.476 5.274) 17.233 14.828 ( -22.034 3.158 2.736) 22.427 15.011 ( 4.687 -4.212 -4.340) 7.652 15.154 ( -2.600 -11.770 0.944) 12.091 16.002 ( -6.408 7.633 -1.003) 10.016 16.243 ( -1.250 5.573 -0.650) 5.749 16.374 ( -5.912 -5.307 3.055) 8.511 16.492 ( 0.311 -1.666 -3.991) 4.336 16.748 ( -0.195 1.876 1.779) 2.593 16.914 ( -2.320 1.018 5.547) 6.098 17.114 ( -6.569 -5.559 3.524) 9.299 17.220 ( -4.139 -4.520 0.037) 6.129 17.490 ( -3.691 3.934 -0.901) 5.469 17.592 ( -2.315 0.862 3.368) 4.176 17.904 ( 5.379 -1.420 -0.064) 5.564 18.141 ( 7.405 -8.983 0.949) 11.680 18.287 ( 5.519 8.148 -5.778) 11.412 18.558 ( -2.687 2.369 -1.410) 3.849 18.730 ( 6.857 5.025 2.221) 8.786 18.986 ( -2.149 -5.258 -2.607) 6.250 19.129 ( 7.855 -0.803 -2.781) 8.372 19.248 ( -0.071 -3.232 0.305) 3.248 19.305 ( 0.000 3.152 -2.559) 4.060 19.408 ( 7.027 5.793 -1.392) 9.213 19.495 ( -3.906 2.332 1.196) 4.704 19.645 ( -0.162 1.690 -0.156) 1.705 19.756 ( 3.775 1.062 -2.053) 4.426 19.850 ( -1.609 3.381 0.094) 3.745 19.915 ( -0.965 -1.409 -1.808) 2.487 19.938 ( -1.994 -3.130 2.703) 4.591 20.110 ( 1.086 -7.481 1.370) 7.683 20.198 ( -2.751 -6.743 -1.222) 7.384 20.790 ( 3.381 9.442 4.778) 11.109 21.007 ( -4.472 1.205 1.343) 4.823 21.027 ( -0.486 1.850 -1.251) 2.285 21.442 ( 14.457 -8.788 -6.588) 18.156 21.866 ( -2.800 -0.846 0.290) 2.939 21.955 ( -5.202 -2.624 0.495) 5.848 22.043 ( -11.167 -3.294 0.958) 11.682 22.108 ( -11.261 -3.217 -1.651) 11.827 22.309 ( -9.050 4.039 6.053) 11.612 22.413 ( -4.648 -0.206 3.182) 5.636 22.716 ( -9.520 15.502 2.228) 18.328 23.294 ( -7.331 -9.470 2.790) 12.297 24.800 ( 7.517 5.664 -0.445) 9.423 25.042 ( 8.665 -3.888 1.020) 9.551 25.293 ( -3.004 8.092 0.566) 8.650 25.784 ( 3.186 -12.453 -6.413) 14.365 26.314 ( 4.850 7.179 -11.238) 14.190 26.465 ( 1.564 -2.743 -0.879) 3.277 26.750 ( 3.536 6.621 1.008) 7.573 26.953 ( -1.702 5.942 -0.048) 6.181 27.083 ( 5.348 -5.838 -7.888) 11.176 27.318 ( -1.657 -6.900 1.878) 7.341 27.430 ( 3.983 2.842 1.651) 5.164 27.659 ( 2.072 -6.377 -0.063) 6.705 27.843 ( -2.080 1.897 7.209) 7.739 27.868 ( -1.514 1.221 5.218) 5.569 28.397 ( 6.741 7.343 -6.801) 12.067 28.671 ( -4.939 -2.389 -0.295) 5.495 29.150 ( 3.594 -0.201 -0.006) 3.600 29.226 ( 1.016 -2.257 4.163) 4.843 29.563 ( 5.087 1.668 0.449) 5.372 29.619 ( 3.646 -0.510 -0.062) 3.682 30.181 ( 13.406 -0.913 -4.700) 14.235 30.332 ( 16.444 -5.533 -2.614) 17.546 30.640 ( 1.292 3.763 4.711) 6.167 30.984 ( 10.801 -7.508 2.162) 13.331 31.160 ( -6.502 12.944 -2.295) 14.666 31.504 ( -8.683 9.788 1.382) 13.157 31.873 ( -2.972 -10.109 -8.456) 13.511 32.065 ( -13.270 -6.885 -5.059) 15.782 32.704 ( 1.743 -1.083 4.993) 5.398 32.721 ( 4.082 -2.128 5.458) 7.140 33.175 ( -7.376 2.931 2.806) 8.418 33.282 ( -2.786 -0.874 4.079) 5.017 33.624 ( -0.302 5.619 -0.455) 5.645 33.862 ( 0.599 -4.703 -2.454) 5.339 34.166 ( -2.319 4.716 1.899) 5.588 34.295 ( -1.459 -0.992 0.753) 1.918 38.067 ( 0.250 -3.491 -2.940) 4.571 38.099 ( 0.645 -3.843 -3.216) 5.052 38.317 ( -3.049 5.125 1.342) 6.113 38.408 ( -6.756 1.801 2.177) 7.323 38.507 ( -0.777 -0.001 4.443) 4.510 38.637 ( 2.829 -2.832 4.512) 6.031 38.828 ( -3.048 3.899 0.853) 5.022 39.045 ( -0.935 1.133 -2.712) 3.084 39.205 ( -0.158 0.551 1.810) 1.898 39.476 ( -3.842 -5.486 -1.950) 6.975 39.691 ( 0.226 1.653 -2.979) 3.414 39.805 ( 0.131 -5.695 -5.164) 7.689 40.304 ( 9.271 11.808 6.033) 16.180 40.576 ( -0.280 -1.941 6.082) 6.390 40.644 ( -7.381 5.432 -1.697) 9.320 40.800 ( -0.586 0.088 2.488) 2.558 41.021 ( 1.750 0.543 -0.332) 1.862 41.069 ( 1.055 -1.181 -5.545) 5.767 41.264 ( -0.207 1.943 -1.822) 2.671 41.443 ( 2.370 -4.449 -1.429) 5.239 42.230 ( 5.344 -1.726 3.538) 6.637 42.483 ( -3.957 -11.118 -3.445) 12.294 43.324 ( 8.135 9.591 -2.706) 12.864 43.623 ( -1.826 -3.505 7.799) 8.743 ======================= Grid point 13 (10/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 2.308 0.000) 2.308 2.458 ( 0.000 -5.790 0.000) 5.790 2.600 ( 0.000 0.860 0.000) 0.860 2.669 ( -0.000 -2.779 -0.000) 2.779 2.993 ( 0.000 5.085 -0.000) 5.085 3.031 ( 0.000 1.596 0.000) 1.596 3.126 ( 0.000 2.986 -0.000) 2.986 3.204 ( 0.000 4.961 0.000) 4.961 3.352 ( 0.000 -1.233 0.000) 1.233 3.408 ( 0.000 -2.256 0.000) 2.256 3.510 ( 0.000 1.459 0.000) 1.459 3.541 ( -0.000 7.840 -0.000) 7.840 3.629 ( -0.000 0.275 -0.000) 0.275 3.793 ( 0.000 2.990 -0.000) 2.990 3.846 ( 0.000 2.422 -0.000) 2.422 4.095 ( 0.000 -9.501 0.000) 9.501 4.388 ( 0.000 -0.590 -0.000) 0.590 4.492 ( 0.000 -1.914 0.000) 1.914 4.659 ( 0.000 1.435 0.000) 1.435 4.664 ( -0.000 -0.238 -0.000) 0.238 4.846 ( 0.000 -1.645 -0.000) 1.645 4.917 ( 0.000 1.109 0.000) 1.109 5.050 ( 0.000 -5.894 0.000) 5.894 5.087 ( 0.000 -5.663 -0.000) 5.663 5.295 ( 0.000 -2.401 0.000) 2.401 5.323 ( -0.000 -3.632 0.000) 3.632 5.449 ( 0.000 4.520 0.000) 4.520 5.772 ( 0.000 -4.698 -0.000) 4.698 5.868 ( -0.000 13.148 0.000) 13.148 5.920 ( 0.000 0.331 0.000) 0.331 6.023 ( 0.000 -3.977 -0.000) 3.977 6.130 ( 0.000 5.745 0.000) 5.745 6.149 ( -0.000 2.288 -0.000) 2.288 6.169 ( 0.000 1.398 -0.000) 1.398 6.238 ( 0.000 -2.680 0.000) 2.680 6.291 ( 0.000 -2.272 0.000) 2.272 6.628 ( 0.000 11.472 -0.000) 11.472 6.864 ( 0.000 -2.932 0.000) 2.932 6.990 ( -0.000 4.640 -0.000) 4.640 7.075 ( 0.000 -7.819 -0.000) 7.819 7.110 ( 0.000 -2.649 0.000) 2.649 7.351 ( 0.000 7.113 -0.000) 7.113 7.485 ( 0.000 -5.780 -0.000) 5.780 7.501 ( 0.000 0.544 0.000) 0.544 7.728 ( 0.000 -1.803 -0.000) 1.803 7.746 ( -0.000 -1.149 0.000) 1.149 8.339 ( 0.000 6.394 0.000) 6.394 8.607 ( 0.000 -4.806 0.000) 4.806 9.138 ( 0.000 4.283 0.000) 4.283 9.286 ( 0.000 2.611 -0.000) 2.611 9.306 ( 0.000 -2.286 -0.000) 2.286 9.584 ( 0.000 -8.657 0.000) 8.657 10.051 ( 0.000 8.711 -0.000) 8.711 10.357 ( 0.000 -1.849 0.000) 1.849 10.477 ( 0.000 2.214 0.000) 2.214 10.632 ( 0.000 2.248 0.000) 2.248 10.794 ( 0.000 -2.469 0.000) 2.469 10.842 ( 0.000 -13.560 0.000) 13.560 11.046 ( 0.000 8.003 -0.000) 8.003 11.333 ( 0.000 3.212 0.000) 3.212 11.398 ( 0.000 0.398 -0.000) 0.398 11.551 ( 0.000 -9.738 0.000) 9.738 12.181 ( -0.000 3.202 0.000) 3.202 12.380 ( 0.000 -7.510 0.000) 7.510 12.401 ( -0.000 -2.390 -0.000) 2.390 12.404 ( 0.000 -1.092 0.000) 1.092 12.642 ( -0.000 2.403 0.000) 2.403 12.829 ( 0.000 -5.462 0.000) 5.462 13.186 ( 0.000 1.004 0.000) 1.004 13.311 ( 0.000 -4.186 0.000) 4.186 13.321 ( -0.000 5.708 -0.000) 5.708 13.472 ( 0.000 -1.225 -0.000) 1.225 13.591 ( 0.000 6.635 0.000) 6.635 14.006 ( -0.000 -7.421 -0.000) 7.421 14.007 ( 0.000 21.253 0.000) 21.253 14.583 ( -0.000 -4.336 -0.000) 4.336 14.585 ( 0.000 4.057 0.000) 4.057 14.738 ( 0.000 7.203 -0.000) 7.203 15.061 ( 0.000 -5.067 0.000) 5.067 15.149 ( 0.000 -15.737 -0.000) 15.737 15.942 ( 0.000 8.689 0.000) 8.689 16.229 ( 0.000 5.526 0.000) 5.526 16.323 ( 0.000 -3.548 0.000) 3.548 16.478 ( 0.000 -0.148 -0.000) 0.148 16.762 ( -0.000 -2.140 0.000) 2.140 16.884 ( 0.000 -4.059 -0.000) 4.059 17.034 ( 0.000 -2.754 -0.000) 2.754 17.161 ( 0.000 -1.059 0.000) 1.059 17.481 ( 0.000 3.278 -0.000) 3.278 17.557 ( -0.000 -2.793 0.000) 2.793 18.037 ( 0.000 1.254 -0.000) 1.254 18.194 ( 0.000 -4.536 0.000) 4.536 18.334 ( 0.000 7.930 0.000) 7.930 18.514 ( 0.000 3.004 0.000) 3.004 18.857 ( 0.000 -2.348 -0.000) 2.348 18.894 ( 0.000 -4.798 0.000) 4.798 19.194 ( 0.000 5.998 0.000) 5.998 19.236 ( 0.000 -2.725 -0.000) 2.725 19.337 ( 0.000 -3.668 -0.000) 3.668 19.431 ( 0.000 5.456 -0.000) 5.456 19.503 ( 0.000 5.847 0.000) 5.847 19.641 ( 0.000 2.569 0.000) 2.569 19.804 ( 0.000 2.323 0.000) 2.323 19.832 ( 0.000 6.250 0.000) 6.250 19.901 ( -0.000 -6.656 0.000) 6.656 19.902 ( 0.000 -1.490 -0.000) 1.490 20.146 ( 0.000 -11.626 0.000) 11.626 20.156 ( -0.000 -4.767 -0.000) 4.767 20.836 ( 0.000 4.073 0.000) 4.073 20.948 ( 0.000 6.966 -0.000) 6.966 21.020 ( 0.000 2.931 -0.000) 2.931 21.695 ( -0.000 -19.011 0.000) 19.011 21.749 ( 0.000 2.266 0.000) 2.266 21.859 ( 0.000 -2.608 -0.000) 2.608 21.924 ( 0.000 0.805 0.000) 0.805 21.972 ( 0.000 -1.458 -0.000) 1.458 22.254 ( 0.000 3.708 0.000) 3.708 22.384 ( 0.000 -1.420 0.000) 1.420 22.634 ( 0.000 17.068 0.000) 17.068 23.230 ( 0.000 -9.118 0.000) 9.118 24.884 ( 0.000 4.880 -0.000) 4.880 25.122 ( 0.000 -4.094 -0.000) 4.094 25.259 ( 0.000 8.421 0.000) 8.421 25.798 ( 0.000 -13.791 0.000) 13.791 26.328 ( 0.000 7.007 0.000) 7.007 26.478 ( 0.000 -2.560 0.000) 2.560 26.799 ( 0.000 8.210 0.000) 8.210 26.924 ( 0.000 4.386 -0.000) 4.386 27.131 ( 0.000 -4.609 -0.000) 4.609 27.276 ( -0.000 -7.417 0.000) 7.417 27.491 ( 0.000 2.478 -0.000) 2.478 27.681 ( 0.000 -5.502 -0.000) 5.502 27.845 ( 0.000 0.959 0.000) 0.959 27.867 ( 0.000 1.133 0.000) 1.133 28.471 ( 0.000 5.201 -0.000) 5.201 28.597 ( -0.000 0.929 0.000) 0.929 29.194 ( 0.000 -1.059 -0.000) 1.059 29.245 ( 0.000 -2.746 0.000) 2.746 29.616 ( 0.000 1.238 0.000) 1.238 29.656 ( 0.000 -0.344 0.000) 0.344 30.324 ( -0.000 -1.966 0.000) 1.966 30.452 ( 0.000 -8.980 -0.000) 8.980 30.722 ( -0.000 7.387 0.000) 7.387 31.050 ( 0.000 -0.808 0.000) 0.808 31.101 ( 0.000 10.231 -0.000) 10.231 31.469 ( 0.000 10.529 0.000) 10.529 31.763 ( 0.000 -12.149 -0.000) 12.149 31.919 ( 0.000 -6.673 -0.000) 6.673 32.732 ( 0.000 -1.301 -0.000) 1.301 32.783 ( 0.000 -3.930 0.000) 3.930 33.102 ( 0.000 4.376 -0.000) 4.376 33.269 ( 0.000 -2.267 0.000) 2.267 33.622 ( 0.000 6.669 0.000) 6.669 33.862 ( 0.000 -3.257 -0.000) 3.257 34.145 ( 0.000 3.600 0.000) 3.600 34.278 ( 0.000 -1.555 0.000) 1.555 38.064 ( 0.000 -3.034 0.000) 3.034 38.097 ( 0.000 -3.928 -0.000) 3.928 38.293 ( 0.000 3.788 -0.000) 3.788 38.340 ( -0.000 3.737 0.000) 3.737 38.513 ( 0.000 0.080 0.000) 0.080 38.689 ( 0.000 -6.440 0.000) 6.440 38.790 ( 0.000 7.843 -0.000) 7.843 39.027 ( 0.000 1.286 -0.000) 1.286 39.215 ( 0.000 -0.087 -0.000) 0.087 39.422 ( 0.000 -6.900 -0.000) 6.900 39.685 ( 0.000 1.525 -0.000) 1.525 39.791 ( 0.000 -6.721 0.000) 6.721 40.460 ( 0.000 16.899 -0.000) 16.899 40.522 ( 0.000 2.120 0.000) 2.120 40.590 ( 0.000 0.378 -0.000) 0.378 40.804 ( 0.000 0.168 0.000) 0.168 41.037 ( 0.000 0.199 0.000) 0.199 41.064 ( 0.000 -0.902 -0.000) 0.902 41.258 ( 0.000 2.193 -0.000) 2.193 41.463 ( 0.000 -4.930 -0.000) 4.930 42.338 ( 0.000 -5.228 0.000) 5.228 42.388 ( 0.000 -8.762 0.000) 8.762 43.402 ( 0.000 7.731 0.000) 7.731 43.620 ( 0.000 -1.725 -0.000) 1.725 ======================= Grid point 18 (11/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 -27.660 0.000) 27.660 1.327 ( 0.000 27.660 0.000) 27.660 1.689 ( 0.000 -27.777 0.000) 27.777 1.689 ( 0.000 27.777 0.000) 27.777 2.531 ( 0.000 -32.410 0.000) 32.410 2.531 ( 0.000 32.410 0.000) 32.410 2.932 ( 0.000 -7.165 0.000) 7.165 2.932 ( 0.000 7.165 0.000) 7.165 3.067 ( 0.000 -9.199 0.000) 9.199 3.067 ( 0.000 9.199 0.000) 9.199 3.585 ( 0.000 -0.119 0.000) 0.119 3.585 ( 0.000 0.119 0.000) 0.119 3.859 ( 0.000 -4.005 0.000) 4.005 3.859 ( 0.000 4.005 0.000) 4.005 4.031 ( 0.000 -0.380 0.000) 0.380 4.031 ( 0.000 0.380 0.000) 0.380 4.275 ( 0.000 -0.622 0.000) 0.622 4.275 ( 0.000 0.622 0.000) 0.622 4.470 ( 0.000 -2.197 0.000) 2.197 4.470 ( 0.000 2.197 0.000) 2.197 4.651 ( 0.000 -4.529 0.000) 4.529 4.651 ( 0.000 4.529 0.000) 4.529 4.952 ( 0.000 -1.812 0.000) 1.812 4.952 ( 0.000 1.812 0.000) 1.812 5.393 ( 0.000 -3.222 0.000) 3.222 5.393 ( 0.000 3.222 0.000) 3.222 5.452 ( 0.000 -6.090 0.000) 6.090 5.452 ( 0.000 6.090 0.000) 6.090 5.657 ( 0.000 -2.571 0.000) 2.571 5.657 ( 0.000 2.571 0.000) 2.571 6.062 ( 0.000 -12.611 0.000) 12.611 6.062 ( 0.000 12.611 0.000) 12.611 6.216 ( 0.000 -0.994 0.000) 0.994 6.216 ( 0.000 0.994 0.000) 0.994 6.582 ( 0.000 -1.754 0.000) 1.754 6.582 ( 0.000 1.754 0.000) 1.754 6.687 ( 0.000 -3.126 0.000) 3.126 6.687 ( 0.000 3.126 0.000) 3.126 7.187 ( 0.000 -4.806 0.000) 4.806 7.187 ( 0.000 4.806 0.000) 4.806 7.379 ( 0.000 -5.752 0.000) 5.752 7.379 ( 0.000 5.752 0.000) 5.752 7.435 ( 0.000 -5.950 0.000) 5.950 7.435 ( 0.000 5.950 0.000) 5.950 7.944 ( 0.000 -1.405 0.000) 1.405 7.944 ( 0.000 1.405 0.000) 1.405 8.309 ( 0.000 -5.892 0.000) 5.892 8.309 ( 0.000 5.892 0.000) 5.892 8.830 ( 0.000 -1.469 0.000) 1.469 8.830 ( 0.000 1.469 0.000) 1.469 9.096 ( 0.000 -0.191 0.000) 0.191 9.096 ( 0.000 0.191 0.000) 0.191 9.937 ( 0.000 -5.670 0.000) 5.670 9.937 ( 0.000 5.670 0.000) 5.670 10.236 ( 0.000 -5.535 0.000) 5.535 10.236 ( 0.000 5.535 0.000) 5.535 10.532 ( 0.000 -14.587 0.000) 14.587 10.532 ( 0.000 14.587 0.000) 14.587 11.087 ( 0.000 -7.798 0.000) 7.798 11.087 ( 0.000 7.798 0.000) 7.798 11.801 ( 0.000 -1.826 0.000) 1.826 11.801 ( 0.000 1.826 0.000) 1.826 12.024 ( 0.000 -1.201 0.000) 1.201 12.024 ( 0.000 1.201 0.000) 1.201 12.587 ( 0.000 -2.785 0.000) 2.785 12.587 ( 0.000 2.785 0.000) 2.785 12.796 ( 0.000 -3.084 0.000) 3.084 12.796 ( 0.000 3.084 0.000) 3.084 12.904 ( 0.000 -0.720 0.000) 0.720 12.904 ( 0.000 0.720 0.000) 0.720 13.344 ( 0.000 -4.698 0.000) 4.698 13.344 ( 0.000 4.698 0.000) 4.698 14.077 ( 0.000 -17.229 0.000) 17.229 14.077 ( 0.000 17.229 0.000) 17.229 14.729 ( 0.000 -0.646 0.000) 0.646 14.729 ( 0.000 0.646 0.000) 0.646 15.053 ( 0.000 -8.903 0.000) 8.903 15.053 ( 0.000 8.903 0.000) 8.903 15.520 ( 0.000 -3.389 0.000) 3.389 15.520 ( 0.000 3.389 0.000) 3.389 16.448 ( 0.000 -0.579 0.000) 0.579 16.448 ( 0.000 0.579 0.000) 0.579 16.724 ( 0.000 -1.472 0.000) 1.472 16.724 ( 0.000 1.472 0.000) 1.472 16.921 ( 0.000 -2.607 0.000) 2.607 16.921 ( 0.000 2.607 0.000) 2.607 17.283 ( 0.000 -0.210 0.000) 0.210 17.283 ( 0.000 0.210 0.000) 0.210 17.483 ( 0.000 -2.538 0.000) 2.538 17.483 ( 0.000 2.538 0.000) 2.538 18.183 ( 0.000 -0.698 0.000) 0.698 18.183 ( 0.000 0.698 0.000) 0.698 18.434 ( 0.000 -7.774 0.000) 7.774 18.434 ( 0.000 7.774 0.000) 7.774 18.739 ( 0.000 -4.376 0.000) 4.376 18.739 ( 0.000 4.376 0.000) 4.376 19.031 ( 0.000 -7.542 0.000) 7.542 19.031 ( 0.000 7.542 0.000) 7.542 19.264 ( 0.000 -3.358 0.000) 3.358 19.264 ( 0.000 3.358 0.000) 3.358 19.415 ( 0.000 -0.013 0.000) 0.013 19.415 ( 0.000 0.013 0.000) 0.013 19.696 ( 0.000 -0.079 0.000) 0.079 19.696 ( 0.000 0.079 0.000) 0.079 20.004 ( 0.000 -3.063 0.000) 3.063 20.004 ( 0.000 3.063 0.000) 3.063 20.242 ( 0.000 -2.204 0.000) 2.204 20.242 ( 0.000 2.204 0.000) 2.204 20.710 ( 0.000 -3.513 0.000) 3.513 20.710 ( 0.000 3.513 0.000) 3.513 21.312 ( 0.000 -3.788 0.000) 3.788 21.312 ( 0.000 3.788 0.000) 3.788 21.960 ( 0.000 -0.254 0.000) 0.254 21.960 ( 0.000 0.254 0.000) 0.254 22.305 ( 0.000 -4.213 0.000) 4.213 22.305 ( 0.000 4.213 0.000) 4.213 23.317 ( 0.000 -3.157 0.000) 3.157 23.317 ( 0.000 3.157 0.000) 3.157 23.548 ( 0.000 -7.272 0.000) 7.272 23.548 ( 0.000 7.272 0.000) 7.272 24.262 ( 0.000 -2.991 0.000) 2.991 24.262 ( 0.000 2.991 0.000) 2.991 25.579 ( 0.000 -17.113 0.000) 17.113 25.579 ( 0.000 17.113 0.000) 17.113 26.103 ( 0.000 -9.244 0.000) 9.244 26.103 ( 0.000 9.244 0.000) 9.244 26.813 ( 0.000 -6.870 0.000) 6.870 26.813 ( 0.000 6.870 0.000) 6.870 27.060 ( 0.000 -0.502 0.000) 0.502 27.060 ( 0.000 0.502 0.000) 0.502 27.729 ( 0.000 -8.591 0.000) 8.591 27.729 ( 0.000 8.591 0.000) 8.591 28.002 ( 0.000 -0.477 0.000) 0.477 28.002 ( 0.000 0.477 0.000) 0.477 28.690 ( 0.000 -10.516 0.000) 10.516 28.690 ( 0.000 10.516 0.000) 10.516 28.945 ( 0.000 -3.278 0.000) 3.278 28.945 ( 0.000 3.278 0.000) 3.278 29.228 ( 0.000 -1.367 0.000) 1.367 29.228 ( 0.000 1.367 0.000) 1.367 29.453 ( 0.000 -2.739 0.000) 2.739 29.453 ( 0.000 2.739 0.000) 2.739 30.140 ( 0.000 -0.434 0.000) 0.434 30.140 ( 0.000 0.434 0.000) 0.434 31.634 ( 0.000 -7.002 0.000) 7.002 31.634 ( 0.000 7.002 0.000) 7.002 32.369 ( 0.000 -0.777 0.000) 0.777 32.369 ( 0.000 0.777 0.000) 0.777 32.550 ( 0.000 -9.909 0.000) 9.909 32.550 ( 0.000 9.909 0.000) 9.909 33.551 ( 0.000 -2.744 0.000) 2.744 33.551 ( 0.000 2.744 0.000) 2.744 33.831 ( 0.000 -0.585 0.000) 0.585 33.831 ( 0.000 0.585 0.000) 0.585 34.131 ( 0.000 -2.950 0.000) 2.950 34.131 ( 0.000 2.950 0.000) 2.950 38.184 ( 0.000 -1.534 0.000) 1.534 38.184 ( 0.000 1.534 0.000) 1.534 38.418 ( 0.000 -2.752 0.000) 2.752 38.418 ( 0.000 2.752 0.000) 2.752 38.695 ( 0.000 -1.527 0.000) 1.527 38.695 ( 0.000 1.527 0.000) 1.527 38.903 ( 0.000 -1.899 0.000) 1.899 38.903 ( 0.000 1.899 0.000) 1.899 39.460 ( 0.000 -5.425 0.000) 5.425 39.460 ( 0.000 5.425 0.000) 5.425 39.708 ( 0.000 -1.804 0.000) 1.804 39.708 ( 0.000 1.804 0.000) 1.804 40.278 ( 0.000 -2.446 0.000) 2.446 40.278 ( 0.000 2.446 0.000) 2.446 40.933 ( 0.000 -4.098 0.000) 4.098 40.933 ( 0.000 4.098 0.000) 4.098 41.121 ( 0.000 -4.128 0.000) 4.128 41.121 ( 0.000 4.128 0.000) 4.128 41.363 ( 0.000 -0.733 0.000) 0.733 41.363 ( 0.000 0.733 0.000) 0.733 42.264 ( 0.000 -3.992 0.000) 3.992 42.264 ( 0.000 3.992 0.000) 3.992 43.039 ( 0.000 -4.046 0.000) 4.046 43.039 ( 0.000 4.046 0.000) 4.046 ======================= Grid point 20 (12/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 13.748 -22.952 1.589) 26.802 1.586 ( 13.748 22.952 1.589) 26.802 1.849 ( 18.105 -27.447 -0.551) 32.886 1.849 ( 18.105 27.447 -0.551) 32.886 2.745 ( 19.770 -18.705 5.820) 27.832 2.745 ( 19.770 18.705 5.820) 27.832 2.997 ( 6.227 -12.171 3.065) 14.011 2.997 ( 6.227 12.171 3.065) 14.011 3.119 ( 5.632 -6.602 -2.986) 9.178 3.119 ( 5.632 6.602 -2.986) 9.178 3.568 ( -1.741 -3.866 3.072) 5.235 3.568 ( -1.741 3.866 3.072) 5.235 3.880 ( -2.936 -1.339 2.551) 4.114 3.880 ( -2.936 1.339 2.551) 4.114 3.996 ( -0.542 -6.240 -1.015) 6.345 3.996 ( -0.542 6.240 -1.015) 6.345 4.279 ( 3.623 -0.761 -1.318) 3.930 4.279 ( 3.623 0.761 -1.318) 3.930 4.496 ( 0.197 -4.966 -3.675) 6.182 4.496 ( 0.197 4.966 -3.675) 6.182 4.733 ( 9.002 -3.786 -3.106) 10.247 4.733 ( 9.002 3.786 -3.106) 10.247 4.962 ( 1.690 -2.673 -0.184) 3.168 4.962 ( 1.690 2.673 -0.184) 3.168 5.346 ( -4.983 -3.004 -3.587) 6.836 5.346 ( -4.983 3.004 -3.587) 6.836 5.448 ( 0.761 -5.550 3.680) 6.703 5.448 ( 0.761 5.550 3.680) 6.703 5.736 ( 5.994 -3.768 1.052) 7.158 5.736 ( 5.994 3.768 1.052) 7.158 6.032 ( -1.721 -9.595 -0.636) 9.769 6.032 ( -1.721 9.595 -0.636) 9.769 6.257 ( 3.852 -3.747 -2.059) 5.755 6.257 ( 3.852 3.747 -2.059) 5.755 6.475 ( -8.916 -1.860 0.265) 9.112 6.475 ( -8.916 1.860 0.265) 9.112 6.723 ( 1.899 -2.016 4.918) 5.644 6.723 ( 1.899 2.016 4.918) 5.644 7.104 ( -8.980 -6.037 -4.302) 11.645 7.104 ( -8.980 6.037 -4.302) 11.645 7.263 ( -2.733 -1.699 0.012) 3.218 7.263 ( -2.733 1.699 0.012) 3.218 7.562 ( 4.302 -1.375 4.706) 6.523 7.562 ( 4.302 1.375 4.706) 6.523 7.909 ( -2.600 -2.378 -0.705) 3.594 7.909 ( -2.600 2.378 -0.705) 3.594 8.180 ( -9.397 -2.090 1.058) 9.684 8.180 ( -9.397 2.090 1.058) 9.684 8.936 ( 7.780 -3.180 -2.916) 8.896 8.936 ( 7.780 3.180 -2.916) 8.896 9.122 ( 4.129 -2.486 -2.436) 5.401 9.122 ( 4.129 2.486 -2.436) 5.401 9.991 ( 6.149 -6.894 -2.989) 9.710 9.991 ( 6.149 6.894 -2.989) 9.710 10.278 ( 3.991 -6.340 -1.984) 7.750 10.278 ( 3.991 6.340 -1.984) 7.750 10.559 ( 3.307 -11.963 0.653) 12.429 10.559 ( 3.307 11.963 0.653) 12.429 11.112 ( 1.478 -8.383 3.624) 9.251 11.112 ( 1.478 8.383 3.624) 9.251 11.770 ( -2.367 -3.667 -3.755) 5.758 11.770 ( -2.367 3.667 -3.755) 5.758 12.005 ( -1.482 -1.407 1.907) 2.795 12.005 ( -1.482 1.407 1.907) 2.795 12.548 ( -3.041 -3.124 -1.664) 4.666 12.548 ( -3.041 3.124 -1.664) 4.666 12.828 ( 1.717 -3.063 2.007) 4.044 12.828 ( 1.717 3.063 2.007) 4.044 12.955 ( 4.465 -2.539 2.946) 5.921 12.955 ( 4.465 2.539 2.946) 5.921 13.389 ( 2.564 -5.336 5.288) 7.938 13.389 ( 2.564 5.336 5.288) 7.938 14.070 ( -0.913 -16.021 -1.474) 16.115 14.070 ( -0.913 16.021 -1.474) 16.115 14.724 ( -0.308 -1.167 -5.033) 5.176 14.724 ( -0.308 1.167 -5.033) 5.176 14.882 ( -11.378 -8.990 -1.645) 14.594 14.882 ( -11.378 8.990 -1.645) 14.594 15.572 ( -0.079 -2.567 -0.283) 2.584 15.572 ( -0.079 2.567 -0.283) 2.584 16.437 ( -1.160 -4.321 -0.485) 4.500 16.437 ( -1.160 4.321 -0.485) 4.500 16.627 ( -10.034 -1.686 1.652) 10.307 16.627 ( -10.034 1.686 1.652) 10.307 16.899 ( -3.915 -3.806 4.231) 6.907 16.899 ( -3.915 3.806 4.231) 6.907 17.175 ( -9.713 -3.031 6.827) 12.253 17.175 ( -9.713 3.031 6.827) 12.253 17.538 ( 6.863 -4.948 -3.094) 9.009 17.538 ( 6.863 4.948 -3.094) 9.009 18.115 ( -4.919 -3.329 -3.019) 6.663 18.115 ( -4.919 3.329 -3.019) 6.663 18.416 ( -4.012 -10.380 1.900) 11.290 18.416 ( -4.012 10.380 1.900) 11.290 18.708 ( 1.961 -5.484 -4.623) 7.436 18.708 ( 1.961 5.484 -4.623) 7.436 19.101 ( 4.510 -7.785 -2.136) 9.247 19.101 ( 4.510 7.785 -2.136) 9.247 19.342 ( 5.529 -3.852 1.871) 6.993 19.342 ( 5.529 3.852 1.871) 6.993 19.432 ( 1.917 -2.031 -0.607) 2.858 19.432 ( 1.917 2.031 -0.607) 2.858 19.725 ( 2.970 -1.623 0.797) 3.477 19.725 ( 2.970 1.623 0.797) 3.477 19.988 ( -1.482 -2.304 0.106) 2.742 19.988 ( -1.482 2.304 0.106) 2.742 20.220 ( -2.298 -2.935 -1.233) 3.926 20.220 ( -2.298 2.935 -1.233) 3.926 20.745 ( 3.744 -4.553 0.292) 5.902 20.745 ( 3.744 4.553 0.292) 5.902 21.256 ( -4.094 -2.802 -1.874) 5.303 21.256 ( -4.094 2.802 -1.874) 5.303 21.961 ( -0.217 -1.533 0.525) 1.635 21.961 ( -0.217 1.533 0.525) 1.635 22.280 ( -2.273 -4.301 0.143) 4.867 22.280 ( -2.273 4.301 0.143) 4.867 23.062 ( -23.019 -2.167 7.503) 24.308 23.062 ( -23.019 2.167 7.503) 24.308 23.451 ( -10.261 -9.254 0.919) 13.849 23.451 ( -10.261 9.254 0.919) 13.849 24.446 ( 15.415 -2.012 -1.896) 15.661 24.446 ( 15.415 2.012 -1.896) 15.661 25.561 ( -0.391 -12.790 -3.106) 13.168 25.561 ( -0.391 12.790 -3.106) 13.168 26.194 ( 9.430 -7.428 -5.435) 13.177 26.194 ( 9.430 7.428 -5.435) 13.177 26.828 ( -0.049 -8.232 4.765) 9.512 26.828 ( -0.049 8.232 4.765) 9.512 27.058 ( 2.987 -3.406 -7.931) 9.134 27.058 ( 2.987 3.406 -7.931) 9.134 27.625 ( -7.133 -6.968 -5.203) 11.247 27.625 ( -7.133 6.968 -5.203) 11.247 27.946 ( -4.742 -3.139 5.076) 7.623 27.946 ( -4.742 3.139 5.076) 7.623 28.575 ( -0.955 -13.650 -10.990) 17.551 28.575 ( -0.955 13.650 -10.990) 17.551 29.052 ( 2.066 -0.582 9.871) 10.102 29.052 ( 2.066 0.582 9.871) 10.102 29.365 ( 7.127 -3.791 2.262) 8.383 29.365 ( 7.127 3.791 2.262) 8.383 29.582 ( 13.675 -4.792 0.872) 14.516 29.582 ( 13.675 4.792 0.872) 14.516 30.325 ( 14.933 -0.767 2.454) 15.152 30.325 ( 14.933 0.767 2.454) 15.152 31.597 ( -1.471 -9.131 -6.916) 11.549 31.597 ( -1.471 9.131 -6.916) 11.549 32.402 ( -5.494 -7.999 -0.575) 9.721 32.402 ( -5.494 7.999 -0.575) 9.721 32.475 ( 0.242 -3.915 3.379) 5.177 32.475 ( 0.242 3.915 3.379) 5.177 33.497 ( -8.104 -2.471 8.855) 12.255 33.497 ( -8.104 2.471 8.855) 12.255 33.768 ( -1.153 -4.136 -7.402) 8.557 33.768 ( -1.153 4.136 -7.402) 8.557 34.220 ( 3.734 -3.718 6.652) 8.487 34.220 ( 3.734 3.718 6.652) 8.487 38.122 ( -4.384 -2.045 -0.464) 4.860 38.122 ( -4.384 2.045 -0.464) 4.860 38.439 ( 1.817 -2.764 -0.288) 3.320 38.439 ( 1.817 2.764 -0.288) 3.320 38.639 ( -5.595 -3.900 3.592) 7.708 38.639 ( -5.595 3.900 3.592) 7.708 38.945 ( 2.132 -6.208 0.463) 6.580 38.945 ( 2.132 6.208 0.463) 6.580 39.456 ( -0.390 -7.454 -1.623) 7.638 39.456 ( -0.390 7.454 -1.623) 7.638 39.764 ( 3.422 -0.111 1.530) 3.751 39.764 ( 3.422 0.111 1.530) 3.751 40.250 ( -1.212 -9.711 1.390) 9.885 40.250 ( -1.212 9.711 1.390) 9.885 40.941 ( -1.481 -3.042 -0.840) 3.486 40.941 ( -1.481 3.042 -0.840) 3.486 41.019 ( -5.138 -4.973 -1.628) 7.334 41.019 ( -5.138 4.973 -1.628) 7.334 41.339 ( -0.804 -1.209 -1.357) 1.987 41.339 ( -0.804 1.209 -1.357) 1.987 42.279 ( 1.828 -7.899 -3.752) 8.934 42.279 ( 1.828 7.899 -3.752) 8.934 43.181 ( 9.646 -9.486 6.969) 15.218 43.181 ( 9.646 9.486 6.969) 15.218 ======================= Grid point 22 (13/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 14.415 -18.593 0.769) 23.539 1.840 ( 14.415 18.593 0.769) 23.539 2.222 ( 17.629 -15.982 1.577) 23.847 2.222 ( 17.629 15.982 1.577) 23.847 2.972 ( 4.142 -3.623 1.795) 5.788 2.972 ( 4.142 3.623 1.795) 5.788 3.173 ( 2.531 -4.973 -2.423) 6.083 3.173 ( 2.531 4.973 -2.423) 6.083 3.377 ( 14.223 -4.799 1.514) 15.087 3.377 ( 14.223 4.799 1.514) 15.087 3.602 ( 5.842 -10.422 6.052) 13.393 3.602 ( 5.842 10.422 6.052) 13.393 3.792 ( -5.778 -2.042 4.289) 7.480 3.792 ( -5.778 2.042 4.289) 7.480 3.930 ( -5.593 -3.226 0.256) 6.462 3.930 ( -5.593 3.226 0.256) 6.462 4.341 ( 1.124 -4.312 1.385) 4.667 4.341 ( 1.124 4.312 1.385) 4.667 4.586 ( 11.012 -5.477 -4.030) 12.942 4.586 ( 11.012 5.477 -4.030) 12.942 4.860 ( 6.716 -2.017 -6.330) 9.446 4.860 ( 6.716 2.017 -6.330) 9.446 5.011 ( 1.848 -3.444 -1.078) 4.054 5.011 ( 1.848 3.444 -1.078) 4.054 5.204 ( -6.552 -2.313 0.013) 6.948 5.204 ( -6.552 2.313 0.013) 6.948 5.533 ( 6.373 -7.731 3.993) 10.786 5.533 ( 6.373 7.731 3.993) 10.786 5.823 ( 2.112 -2.613 -3.426) 4.799 5.823 ( 2.112 2.613 -3.426) 4.799 6.027 ( 1.307 -5.702 1.840) 6.132 6.027 ( 1.307 5.702 1.840) 6.132 6.238 ( -4.423 -1.884 -2.274) 5.319 6.238 ( -4.423 1.884 -2.274) 5.319 6.394 ( 1.650 -5.656 -5.279) 7.910 6.394 ( 1.650 5.656 -5.279) 7.910 6.735 ( -4.725 -4.829 -0.537) 6.778 6.735 ( -4.725 4.829 -0.537) 6.778 6.952 ( -0.903 -3.505 3.957) 5.363 6.952 ( -0.903 3.505 3.957) 5.363 7.246 ( -0.582 -4.428 2.488) 5.112 7.246 ( -0.582 4.428 2.488) 5.112 7.616 ( -1.099 -2.806 3.177) 4.379 7.616 ( -1.099 2.806 3.177) 4.379 7.816 ( -7.692 -2.887 1.441) 8.341 7.816 ( -7.692 2.887 1.441) 8.341 8.130 ( 6.847 -6.474 -0.373) 9.430 8.130 ( 6.847 6.474 -0.373) 9.430 9.041 ( 5.941 -3.287 -3.687) 7.726 9.041 ( 5.941 3.287 -3.687) 7.726 9.230 ( 7.274 -7.337 -3.620) 10.948 9.230 ( 7.274 7.337 -3.620) 10.948 10.120 ( 7.897 -9.263 -3.161) 12.576 10.120 ( 7.897 9.263 -3.161) 12.576 10.347 ( 4.389 -5.873 -2.006) 7.601 10.347 ( 4.389 5.873 -2.006) 7.601 10.666 ( 6.129 -6.331 1.084) 8.878 10.666 ( 6.129 6.331 1.084) 8.878 11.175 ( 2.320 -10.545 4.733) 11.789 11.175 ( 2.320 10.545 4.733) 11.789 11.663 ( -6.249 -1.965 -4.745) 8.089 11.663 ( -6.249 1.965 -4.745) 8.089 12.026 ( 2.694 -1.650 3.751) 4.904 12.026 ( 2.694 1.650 3.751) 4.904 12.469 ( -4.316 -4.052 0.054) 5.920 12.469 ( -4.316 4.052 0.054) 5.920 12.857 ( -0.079 -2.818 1.652) 3.267 12.857 ( -0.079 2.818 1.652) 3.267 13.088 ( 6.603 -3.367 3.761) 8.312 13.088 ( 6.603 3.367 3.761) 8.312 13.463 ( 0.953 -3.968 5.800) 7.092 13.463 ( 0.953 3.968 5.800) 7.092 13.984 ( -6.209 -12.542 -7.290) 15.780 13.984 ( -6.209 12.542 -7.290) 15.780 14.592 ( -7.115 -13.409 -1.431) 15.247 14.592 ( -7.115 13.409 -1.431) 15.247 14.803 ( 2.323 -7.388 -3.104) 8.344 14.803 ( 2.323 7.388 -3.104) 8.344 15.370 ( -20.977 -0.739 1.475) 21.042 15.370 ( -20.977 0.739 1.475) 21.042 16.350 ( -10.348 -5.223 1.059) 11.640 16.350 ( -10.348 5.223 1.059) 11.640 16.430 ( -3.612 -6.340 -3.087) 7.923 16.430 ( -3.612 6.340 -3.087) 7.923 16.867 ( -0.399 -6.682 2.486) 7.140 16.867 ( -0.399 6.682 2.486) 7.140 17.128 ( -1.557 -6.497 10.094) 12.104 17.128 ( -1.557 6.497 10.094) 12.104 17.645 ( 1.579 -4.382 2.668) 5.368 17.645 ( 1.579 4.382 2.668) 5.368 17.927 ( -8.619 -4.807 -3.865) 10.599 17.927 ( -8.619 4.807 -3.865) 10.599 18.405 ( 4.807 -9.857 -5.588) 12.308 18.405 ( 4.807 9.857 -5.588) 12.308 18.797 ( 7.192 -7.005 -2.265) 10.292 18.797 ( 7.192 7.005 -2.265) 10.292 19.132 ( 0.117 -6.032 -0.567) 6.060 19.132 ( 0.117 6.032 -0.567) 6.060 19.418 ( 1.482 -6.121 -0.005) 6.298 19.418 ( 1.482 6.121 -0.005) 6.298 19.487 ( 3.285 -8.404 1.276) 9.113 19.487 ( 3.285 8.404 1.276) 9.113 19.809 ( 4.450 -4.517 0.019) 6.341 19.809 ( 4.450 4.517 0.019) 6.341 19.954 ( -2.044 -1.078 0.055) 2.311 19.954 ( -2.044 1.078 0.055) 2.311 20.134 ( -4.836 -3.903 -2.972) 6.888 20.134 ( -4.836 3.903 -2.972) 6.888 20.860 ( 6.711 -6.635 2.292) 9.711 20.860 ( 6.711 6.635 2.292) 9.711 21.177 ( -1.993 -4.101 -2.925) 5.417 21.177 ( -1.993 4.101 -2.925) 5.417 21.944 ( -2.310 -2.605 1.500) 3.790 21.944 ( -2.310 2.605 1.500) 3.790 22.218 ( -4.473 -3.144 -1.257) 5.610 22.218 ( -4.473 3.144 -1.257) 5.610 22.641 ( -22.173 -0.612 8.376) 23.710 22.641 ( -22.173 0.612 8.376) 23.710 23.220 ( -12.609 -12.329 2.348) 17.790 23.220 ( -12.609 12.329 2.348) 17.790 24.731 ( 13.430 -3.883 -1.013) 14.017 24.731 ( 13.430 3.883 -1.013) 14.017 25.539 ( -0.290 -10.585 -3.076) 11.026 25.539 ( -0.290 10.585 -3.076) 11.026 26.343 ( 8.843 -3.620 -10.416) 14.135 26.343 ( 8.843 3.620 -10.416) 14.135 26.855 ( 1.910 -9.190 0.023) 9.386 26.855 ( 1.910 9.190 0.023) 9.386 27.115 ( 4.465 -6.935 -2.395) 8.589 27.115 ( 4.465 6.935 -2.395) 8.589 27.500 ( -2.347 -5.865 -1.862) 6.586 27.500 ( -2.347 5.865 -1.862) 6.586 27.898 ( -3.902 -0.826 7.866) 8.819 27.898 ( -3.902 0.826 7.866) 8.819 28.551 ( 2.447 -11.178 -7.552) 13.710 28.551 ( 2.447 11.178 -7.552) 13.710 29.124 ( 1.353 -1.916 6.073) 6.510 29.124 ( 1.353 1.916 6.073) 6.510 29.493 ( 6.078 -2.496 0.417) 6.584 29.493 ( 6.078 2.496 0.417) 6.584 29.908 ( 18.155 -2.626 -1.443) 18.400 29.908 ( 18.155 2.626 -1.443) 18.400 30.607 ( 10.996 -3.497 3.436) 12.039 30.607 ( 10.996 3.497 3.436) 12.039 31.526 ( -1.483 -12.352 -7.829) 14.700 31.526 ( -1.483 12.352 -7.829) 14.700 32.153 ( -14.076 -12.134 -4.116) 19.035 32.153 ( -14.076 12.134 -4.116) 19.035 32.593 ( 4.688 -0.544 6.634) 8.141 32.593 ( 4.688 0.544 6.634) 8.141 33.359 ( -9.557 -1.332 8.193) 12.658 33.359 ( -9.557 1.332 8.193) 12.658 33.742 ( 1.136 -5.140 -4.458) 6.899 33.742 ( 1.136 5.140 -4.458) 6.899 34.279 ( -0.813 -3.006 4.373) 5.369 34.279 ( -0.813 3.006 4.373) 5.369 38.057 ( -1.379 -1.058 -2.040) 2.680 38.057 ( -1.379 1.058 -2.040) 2.680 38.466 ( -0.189 -3.681 -0.545) 3.726 38.466 ( -0.189 3.681 -0.545) 3.726 38.548 ( -5.281 -0.475 7.176) 8.922 38.548 ( -5.281 0.475 7.176) 8.922 38.965 ( -0.099 -6.463 0.863) 6.521 38.965 ( -0.099 6.463 0.863) 6.521 39.410 ( -3.731 -8.988 -1.408) 9.833 39.410 ( -3.731 8.988 -1.408) 9.833 39.775 ( -0.527 -3.308 -6.252) 7.093 39.775 ( -0.527 3.308 -6.252) 7.093 40.329 ( 6.065 -11.280 8.798) 15.538 40.329 ( 6.065 11.280 8.798) 15.538 40.830 ( -5.596 -0.797 0.921) 5.727 40.830 ( -5.596 0.797 0.921) 5.727 41.019 ( 2.718 -2.754 -4.176) 5.693 41.019 ( 2.718 2.754 -4.176) 5.693 41.328 ( 0.446 -2.671 -1.587) 3.139 41.328 ( 0.446 2.671 -1.587) 3.139 42.284 ( 0.458 -10.296 -2.498) 10.605 42.284 ( 0.458 10.296 -2.498) 10.605 43.387 ( 7.241 -10.272 5.169) 13.589 43.387 ( 7.241 10.272 5.169) 13.589 ======================= Grid point 24 (14/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 14.138 -11.076 1.830) 18.053 2.141 ( 14.138 11.076 1.830) 18.053 2.515 ( 10.932 -7.522 0.431) 13.277 2.515 ( 10.932 7.522 0.431) 13.277 3.047 ( 1.705 -1.981 2.254) 3.451 3.047 ( 1.705 1.981 2.254) 3.451 3.199 ( 2.754 -1.845 -1.664) 3.710 3.199 ( 2.754 1.845 -1.664) 3.710 3.399 ( -5.436 -5.008 0.066) 7.392 3.399 ( -5.436 5.008 0.066) 7.392 3.619 ( -4.466 -7.410 0.621) 8.674 3.619 ( -4.466 7.410 0.621) 8.674 3.813 ( 1.088 -9.087 1.906) 9.348 3.813 ( 1.088 9.087 1.906) 9.348 3.867 ( -1.208 -1.112 1.968) 2.563 3.867 ( -1.208 1.112 1.968) 2.563 4.392 ( 2.858 -3.960 0.740) 4.940 4.392 ( 2.858 3.960 0.740) 4.940 4.692 ( 1.066 -3.596 -3.710) 5.275 4.692 ( 1.066 3.596 -3.710) 5.275 4.907 ( -1.872 -3.342 -0.051) 3.831 4.907 ( -1.872 3.342 -0.051) 3.831 4.999 ( -0.451 -1.667 0.773) 1.892 4.999 ( -0.451 1.667 0.773) 1.892 5.195 ( 4.528 -4.430 0.946) 6.405 5.195 ( 4.528 4.430 0.946) 6.405 5.654 ( 0.854 -3.096 -4.216) 5.300 5.654 ( 0.854 3.096 -4.216) 5.300 5.861 ( 6.238 -3.543 1.952) 7.435 5.861 ( 6.238 3.543 1.952) 7.435 6.073 ( 2.332 -6.161 0.253) 6.592 6.073 ( 2.332 6.161 0.253) 6.592 6.197 ( -0.114 -1.481 1.608) 2.189 6.197 ( -0.114 1.481 1.608) 2.189 6.307 ( -5.697 -1.388 -6.249) 8.569 6.307 ( -5.697 1.388 -6.249) 8.569 6.722 ( 6.820 -7.229 -4.485) 10.904 6.722 ( 6.820 7.229 -4.485) 10.904 6.990 ( -1.314 -3.951 3.397) 5.374 6.990 ( -1.314 3.951 3.397) 5.374 7.255 ( -0.714 -4.057 4.704) 6.253 7.255 ( -0.714 4.057 4.704) 6.253 7.547 ( -6.061 -4.219 2.366) 7.755 7.547 ( -6.061 4.219 2.366) 7.755 7.724 ( -1.380 -2.640 0.196) 2.985 7.724 ( -1.380 2.640 0.196) 2.985 8.355 ( 12.323 -7.706 -0.314) 14.537 8.355 ( 12.323 7.706 -0.314) 14.537 9.158 ( 7.516 -3.467 -3.127) 8.848 9.158 ( 7.516 3.467 -3.127) 8.848 9.336 ( 5.031 -8.921 -1.874) 10.412 9.336 ( 5.031 8.921 -1.874) 10.412 10.230 ( 3.884 -9.496 -0.158) 10.261 10.230 ( 3.884 9.496 -0.158) 10.261 10.449 ( 7.265 -4.100 -1.328) 8.447 10.449 ( 7.265 4.100 -1.328) 8.447 10.754 ( 1.281 -2.114 -0.144) 2.476 10.754 ( 1.281 2.114 -0.144) 2.476 11.231 ( 1.079 -12.413 4.000) 13.086 11.231 ( 1.079 12.413 4.000) 13.086 11.502 ( -6.981 -0.538 -3.949) 8.039 11.502 ( -6.981 0.538 -3.949) 8.039 12.151 ( 7.835 -2.977 2.618) 8.781 12.151 ( 7.835 2.977 2.618) 8.781 12.394 ( -3.208 -3.698 1.321) 5.070 12.394 ( -3.208 3.698 1.321) 5.070 12.815 ( -6.191 -2.623 2.718) 7.253 12.815 ( -6.191 2.623 2.718) 7.253 13.210 ( 3.167 -1.672 2.244) 4.226 13.210 ( 3.167 1.672 2.244) 4.226 13.450 ( -2.988 -2.122 -0.947) 3.785 13.450 ( -2.988 2.122 -0.947) 3.785 13.830 ( -2.842 -11.772 -6.787) 13.882 13.830 ( -2.842 11.772 -6.787) 13.882 14.492 ( -5.702 -18.009 3.883) 19.285 14.492 ( -5.702 18.009 3.883) 19.285 14.862 ( 4.087 -7.218 -3.212) 8.895 14.862 ( 4.087 7.218 -3.212) 8.895 14.940 ( -17.794 -5.650 1.962) 18.772 14.940 ( -17.794 5.650 1.962) 18.772 16.199 ( -4.866 -9.711 0.792) 10.891 16.199 ( -4.866 9.711 0.792) 10.891 16.391 ( 0.364 -6.936 -3.636) 7.840 16.391 ( 0.364 6.936 -3.636) 7.840 16.847 ( -4.539 -5.829 3.624) 8.229 16.847 ( -4.539 5.829 3.624) 8.229 17.114 ( -4.029 -4.579 3.711) 7.140 17.114 ( -4.029 4.579 3.711) 7.140 17.562 ( -5.546 -3.268 2.495) 6.904 17.562 ( -5.546 3.268 2.495) 6.904 17.969 ( 9.954 -6.739 -1.382) 12.100 17.969 ( 9.954 6.739 -1.382) 12.100 18.473 ( 3.986 -7.849 -5.309) 10.280 18.473 ( 3.986 7.849 -5.309) 10.280 18.870 ( -0.953 -5.991 -0.184) 6.069 18.870 ( -0.953 5.991 -0.184) 6.069 19.158 ( 3.823 -3.534 -0.532) 5.234 19.158 ( 3.823 3.534 -0.532) 5.234 19.427 ( -0.043 -5.706 -0.064) 5.707 19.427 ( -0.043 5.706 -0.064) 5.707 19.564 ( 3.982 -5.938 1.500) 7.305 19.564 ( 3.982 5.938 1.500) 7.305 19.863 ( 0.003 -3.794 2.722) 4.669 19.863 ( 0.003 3.794 2.722) 4.669 19.911 ( -0.929 -4.709 -3.619) 6.011 19.911 ( -0.929 4.709 -3.619) 6.011 20.042 ( -2.518 -7.424 -1.998) 8.090 20.042 ( -2.518 7.424 -1.998) 8.090 20.948 ( -1.891 -4.792 6.263) 8.109 20.948 ( -1.891 4.792 6.263) 8.109 21.198 ( 7.949 -11.576 -7.626) 15.979 21.198 ( 7.949 11.576 -7.626) 15.979 21.883 ( -5.697 -2.361 4.607) 7.698 21.883 ( -5.697 2.361 4.607) 7.698 22.056 ( -9.823 -1.983 -2.584) 10.349 22.056 ( -9.823 1.983 -2.584) 10.349 22.384 ( -7.449 -2.531 4.714) 9.171 22.384 ( -7.449 2.531 4.714) 9.171 23.035 ( -6.956 -13.984 1.721) 15.713 23.035 ( -6.956 13.984 1.721) 15.713 24.933 ( 7.472 -6.044 -0.239) 9.614 24.933 ( 7.472 6.044 -0.239) 9.614 25.515 ( -0.797 -12.060 -1.632) 12.196 25.515 ( -0.797 12.060 -1.632) 12.196 26.413 ( 3.525 -2.641 -6.953) 8.231 26.413 ( 3.525 2.641 -6.953) 8.231 26.917 ( 5.602 -8.634 -4.712) 11.319 26.917 ( 5.602 8.634 -4.712) 11.319 27.133 ( -2.805 -9.500 2.151) 10.136 27.133 ( -2.805 9.500 2.151) 10.136 27.523 ( 3.666 -5.691 0.051) 6.769 27.523 ( 3.666 5.691 0.051) 6.769 27.874 ( -2.532 -0.750 6.701) 7.203 27.874 ( -2.532 0.750 6.701) 7.203 28.567 ( 2.177 -7.246 -4.725) 8.921 28.567 ( 2.177 7.246 -4.725) 8.921 29.172 ( 1.195 -2.242 2.683) 3.695 29.172 ( 1.195 2.242 2.683) 3.695 29.599 ( 4.157 -1.405 0.196) 4.392 29.599 ( 4.157 1.405 0.196) 4.392 30.211 ( 12.507 -4.013 -2.692) 13.408 30.211 ( 12.507 4.013 -2.692) 13.408 30.796 ( 7.127 -8.945 3.933) 12.094 30.796 ( 7.127 8.945 3.933) 12.094 31.467 ( -1.282 -13.355 -3.021) 13.752 31.467 ( -1.282 13.355 -3.021) 13.752 31.866 ( -11.663 -9.799 -5.885) 16.330 31.866 ( -11.663 9.799 -5.885) 16.330 32.692 ( 1.939 -0.303 5.547) 5.884 32.692 ( 1.939 0.303 5.547) 5.884 33.241 ( -5.420 -2.802 3.933) 7.259 33.241 ( -5.420 2.802 3.933) 7.259 33.752 ( 1.412 -5.687 -1.941) 6.173 33.752 ( 1.412 5.687 -1.941) 6.173 34.253 ( -2.667 -3.054 1.681) 4.389 34.253 ( -2.667 3.054 1.681) 4.389 38.040 ( 0.549 -1.011 -2.546) 2.794 38.040 ( 0.549 1.011 -2.546) 2.794 38.401 ( -4.747 -2.445 2.604) 5.941 38.401 ( -4.747 2.445 2.604) 5.941 38.547 ( 0.409 -3.830 3.335) 5.095 38.547 ( 0.409 3.830 3.335) 5.095 38.967 ( 0.106 -6.952 0.958) 7.018 38.967 ( 0.106 6.952 0.958) 7.018 39.315 ( -4.169 -8.276 -2.002) 9.481 39.315 ( -4.169 8.276 -2.002) 9.481 39.734 ( -0.286 -2.211 -4.388) 4.921 39.734 ( -0.286 2.211 -4.388) 4.921 40.495 ( 4.549 -6.061 8.646) 11.497 40.495 ( 4.549 6.061 8.646) 11.497 40.764 ( -1.372 -4.198 -1.442) 4.646 40.764 ( -1.372 4.198 -1.442) 4.646 41.040 ( 1.178 -1.234 -2.429) 2.968 41.040 ( 1.178 1.234 -2.429) 2.968 41.335 ( 0.858 -4.722 -1.459) 5.016 41.335 ( 0.858 4.722 -1.459) 5.016 42.276 ( -0.232 -6.690 -0.998) 6.768 42.276 ( -0.232 6.690 -0.998) 6.768 43.509 ( 3.417 -7.118 2.323) 8.230 43.509 ( 3.417 7.118 2.323) 8.230 ======================= Grid point 26 (15/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.000 -6.754 0.000) 6.754 2.310 ( 0.000 6.754 0.000) 6.754 2.622 ( 0.000 -1.385 0.000) 1.385 2.622 ( 0.000 1.385 0.000) 1.385 3.056 ( 0.000 -0.016 0.000) 0.016 3.056 ( 0.000 0.016 0.000) 0.016 3.240 ( 0.000 -6.892 -0.000) 6.892 3.240 ( 0.000 6.892 0.000) 6.892 3.323 ( 0.000 -5.459 -0.000) 5.459 3.323 ( 0.000 5.459 0.000) 5.459 3.576 ( 0.000 -3.897 0.000) 3.897 3.576 ( 0.000 3.897 0.000) 3.897 3.820 ( 0.000 -13.889 0.000) 13.889 3.820 ( 0.000 13.889 0.000) 13.889 3.859 ( 0.000 -2.525 -0.000) 2.525 3.859 ( 0.000 2.525 -0.000) 2.525 4.422 ( 0.000 -3.555 -0.000) 3.555 4.422 ( 0.000 3.555 0.000) 3.555 4.675 ( 0.000 -0.402 0.000) 0.402 4.675 ( 0.000 0.402 -0.000) 0.402 4.878 ( 0.000 -4.851 0.000) 4.851 4.878 ( 0.000 4.851 0.000) 4.851 4.993 ( 0.000 -2.606 0.000) 2.606 4.993 ( 0.000 2.606 0.000) 2.606 5.265 ( 0.000 -1.343 0.000) 1.343 5.265 ( 0.000 1.343 0.000) 1.343 5.617 ( 0.000 -8.410 0.000) 8.410 5.617 ( 0.000 8.410 0.000) 8.410 5.947 ( 0.000 -2.479 -0.000) 2.479 5.947 ( 0.000 2.479 0.000) 2.479 6.108 ( -0.000 -6.785 -0.000) 6.785 6.108 ( 0.000 6.785 0.000) 6.785 6.187 ( 0.000 -1.903 -0.000) 1.903 6.187 ( 0.000 1.903 0.000) 1.903 6.245 ( 0.000 -3.028 -0.000) 3.028 6.245 ( 0.000 3.028 0.000) 3.028 6.854 ( -0.000 -6.911 0.000) 6.911 6.854 ( 0.000 6.911 -0.000) 6.911 6.921 ( 0.000 -2.194 -0.000) 2.194 6.921 ( -0.000 2.194 0.000) 2.194 7.264 ( 0.000 -10.726 -0.000) 10.726 7.264 ( 0.000 10.726 -0.000) 10.726 7.486 ( 0.000 -2.490 -0.000) 2.490 7.486 ( 0.000 2.491 0.000) 2.491 7.719 ( 0.000 -0.828 -0.000) 0.828 7.719 ( 0.000 0.828 0.000) 0.828 8.485 ( 0.000 -6.513 -0.000) 6.513 8.485 ( 0.000 6.513 0.000) 6.513 9.236 ( 0.000 -4.128 0.000) 4.128 9.236 ( 0.000 4.128 -0.000) 4.128 9.391 ( 0.000 -7.694 -0.000) 7.694 9.391 ( 0.000 7.694 0.000) 7.694 10.267 ( 0.000 -8.215 -0.000) 8.215 10.267 ( 0.000 8.215 -0.000) 8.215 10.562 ( 0.000 -8.605 0.000) 8.605 10.562 ( 0.000 8.605 0.000) 8.605 10.721 ( 0.000 -4.684 -0.000) 4.684 10.721 ( 0.000 4.684 0.000) 4.684 11.268 ( 0.000 -11.685 0.000) 11.685 11.268 ( 0.000 11.685 -0.000) 11.685 11.400 ( 0.000 -0.022 0.000) 0.022 11.400 ( 0.000 0.022 0.000) 0.022 12.261 ( -0.000 -4.138 0.000) 4.138 12.261 ( 0.000 4.138 0.000) 4.138 12.385 ( 0.000 -0.444 -0.000) 0.444 12.385 ( 0.000 0.444 0.000) 0.444 12.708 ( 0.000 -4.635 0.000) 4.635 12.708 ( 0.000 4.635 0.000) 4.635 13.232 ( 0.000 -3.069 0.000) 3.069 13.232 ( 0.000 3.069 0.000) 3.069 13.418 ( 0.000 -3.566 -0.000) 3.566 13.418 ( 0.000 3.566 -0.000) 3.566 13.799 ( 0.000 -11.054 0.000) 11.054 13.799 ( 0.000 11.054 0.000) 11.054 14.420 ( 0.000 -13.188 0.000) 13.188 14.420 ( 0.000 13.188 -0.000) 13.188 14.766 ( 0.000 -14.054 -0.000) 14.054 14.766 ( 0.000 14.054 0.000) 14.054 14.921 ( 0.000 -6.983 0.000) 6.983 14.921 ( 0.000 6.983 0.000) 6.983 16.156 ( 0.000 -9.925 0.000) 9.925 16.156 ( 0.000 9.925 -0.000) 9.925 16.391 ( 0.000 -7.012 0.000) 7.012 16.391 ( 0.000 7.012 -0.000) 7.012 16.781 ( 0.000 -4.001 -0.000) 4.001 16.781 ( 0.000 4.001 -0.000) 4.001 17.079 ( 0.000 -5.318 0.000) 5.318 17.079 ( 0.000 5.318 0.000) 5.318 17.524 ( 0.000 -0.849 -0.000) 0.849 17.524 ( 0.000 0.849 -0.000) 0.849 18.097 ( 0.000 -4.109 -0.000) 4.109 18.097 ( 0.000 4.109 -0.000) 4.109 18.496 ( 0.000 -5.371 0.000) 5.371 18.496 ( 0.000 5.371 0.000) 5.371 18.829 ( 0.000 -0.395 -0.000) 0.395 18.829 ( 0.000 0.395 0.000) 0.395 19.210 ( 0.000 -0.718 0.000) 0.718 19.210 ( 0.000 0.718 0.000) 0.718 19.425 ( 0.000 -6.150 -0.000) 6.150 19.425 ( 0.000 6.150 -0.000) 6.150 19.623 ( 0.000 -2.996 0.000) 2.996 19.623 ( 0.000 2.996 0.000) 2.996 19.856 ( 0.000 -2.576 0.000) 2.576 19.856 ( 0.000 2.576 0.000) 2.576 19.898 ( 0.000 -8.292 -0.000) 8.292 19.898 ( 0.000 8.292 -0.000) 8.292 20.014 ( 0.000 -7.997 0.000) 7.997 20.014 ( 0.000 7.997 0.000) 7.997 20.923 ( 0.000 -3.675 0.000) 3.675 20.923 ( 0.000 3.675 -0.000) 3.675 21.293 ( 0.000 -16.979 0.000) 16.979 21.293 ( 0.000 16.979 0.000) 16.979 21.808 ( 0.000 -2.817 0.000) 2.817 21.808 ( 0.000 2.817 -0.000) 2.817 21.945 ( 0.000 -1.090 0.000) 1.090 21.945 ( 0.000 1.090 0.000) 1.090 22.334 ( 0.000 -3.266 0.000) 3.266 22.334 ( 0.000 3.266 0.000) 3.266 22.973 ( 0.000 -14.299 0.000) 14.299 22.973 ( 0.000 14.299 -0.000) 14.299 25.007 ( 0.000 -6.078 0.000) 6.078 25.007 ( 0.000 6.078 -0.000) 6.078 25.501 ( 0.000 -13.280 0.000) 13.280 25.501 ( 0.000 13.280 0.000) 13.280 26.426 ( 0.000 -2.754 0.000) 2.754 26.426 ( 0.000 2.754 0.000) 2.754 26.983 ( 0.000 -7.904 0.000) 7.904 26.983 ( 0.000 7.904 -0.000) 7.904 27.084 ( 0.000 -9.004 0.000) 9.004 27.084 ( -0.000 9.004 0.000) 9.004 27.568 ( 0.000 -4.674 -0.000) 4.674 27.568 ( 0.000 4.674 -0.000) 4.674 27.868 ( 0.000 -0.839 0.000) 0.839 27.868 ( 0.000 0.839 0.000) 0.839 28.577 ( 0.000 -3.388 -0.000) 3.388 28.577 ( 0.000 3.388 -0.000) 3.388 29.192 ( 0.000 -1.407 0.000) 1.407 29.192 ( 0.000 1.407 -0.000) 1.407 29.642 ( 0.000 -1.001 0.000) 1.001 29.642 ( 0.000 1.001 0.000) 1.001 30.326 ( 0.000 -2.737 0.000) 2.737 30.326 ( 0.000 2.737 0.000) 2.737 30.895 ( 0.000 -8.168 0.000) 8.168 30.895 ( 0.000 8.168 0.000) 8.168 31.450 ( 0.000 -16.367 -0.000) 16.367 31.450 ( 0.000 16.367 0.000) 16.367 31.712 ( 0.000 -11.487 0.000) 11.487 31.712 ( 0.000 11.487 0.000) 11.487 32.725 ( 0.000 -1.076 -0.000) 1.076 32.725 ( 0.000 1.076 0.000) 1.076 33.199 ( 0.000 -4.172 -0.000) 4.172 33.199 ( 0.000 4.172 0.000) 4.172 33.763 ( 0.000 -5.862 0.000) 5.862 33.763 ( 0.000 5.862 -0.000) 5.862 34.225 ( 0.000 -3.372 0.000) 3.372 34.225 ( 0.000 3.372 0.000) 3.372 38.041 ( 0.000 -0.951 0.000) 0.951 38.041 ( 0.000 0.951 -0.000) 0.951 38.357 ( 0.000 -1.815 -0.000) 1.815 38.357 ( 0.000 1.815 0.000) 1.815 38.562 ( 0.000 -4.642 0.000) 4.642 38.562 ( 0.000 4.642 -0.000) 4.642 38.974 ( 0.000 -7.264 -0.000) 7.264 38.974 ( 0.000 7.264 0.000) 7.264 39.263 ( 0.000 -5.933 -0.000) 5.933 39.263 ( 0.000 5.933 -0.000) 5.933 39.720 ( 0.000 -1.725 -0.000) 1.725 39.720 ( 0.000 1.725 -0.000) 1.725 40.564 ( 0.000 -1.339 -0.000) 1.339 40.564 ( 0.000 1.339 -0.000) 1.339 40.749 ( 0.000 -7.147 0.000) 7.147 40.749 ( 0.000 7.147 0.000) 7.147 41.044 ( 0.000 -0.655 -0.000) 0.655 41.044 ( 0.000 0.655 0.000) 0.655 41.340 ( 0.000 -5.513 -0.000) 5.513 41.340 ( 0.000 5.513 -0.000) 5.513 42.270 ( 0.000 -0.762 0.000) 0.762 42.270 ( 0.000 0.762 0.000) 0.762 43.548 ( 0.000 -5.199 0.000) 5.199 43.548 ( 0.000 5.199 -0.000) 5.199 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 7.674 0.000 30.055) 31.019 0.932 ( 6.277 0.000 40.789) 41.269 1.099 ( 11.157 0.000 50.536) 51.753 2.240 ( 0.719 0.000 10.801) 10.825 2.597 ( -0.914 0.000 -6.377) 6.442 2.711 ( 1.046 0.000 13.220) 13.261 2.983 ( 1.667 0.000 0.194) 1.678 3.037 ( -0.105 0.000 -4.093) 4.094 3.274 ( 2.219 0.000 -7.029) 7.371 3.301 ( -5.893 0.000 -1.848) 6.176 3.414 ( -0.902 0.000 -7.206) 7.262 3.583 ( -12.087 0.000 -10.032) 15.707 3.758 ( 2.339 0.000 -3.973) 4.610 3.807 ( 4.134 0.000 -7.942) 8.954 4.132 ( 1.660 0.000 -0.673) 1.791 4.158 ( -18.475 0.000 -2.548) 18.650 4.278 ( -3.477 0.000 9.444) 10.063 4.286 ( -1.337 0.000 -2.185) 2.562 4.309 ( 2.187 0.000 2.553) 3.361 4.517 ( -2.474 0.000 0.049) 2.475 4.576 ( 7.674 0.000 -11.304) 13.663 4.849 ( 10.685 0.000 1.745) 10.827 4.961 ( 1.626 0.000 -0.887) 1.852 5.102 ( -6.979 0.000 8.234) 10.794 5.196 ( 6.094 0.000 8.459) 10.426 5.367 ( -1.313 0.000 -2.992) 3.267 5.436 ( 4.259 0.000 7.652) 8.757 5.480 ( -0.858 0.000 -9.527) 9.566 5.519 ( -1.056 0.000 -1.432) 1.779 5.665 ( -1.975 0.000 -5.891) 6.213 5.684 ( 5.420 0.000 -4.939) 7.333 5.807 ( 1.040 0.000 -4.095) 4.225 6.243 ( 2.715 0.000 -2.937) 3.999 6.340 ( -0.610 0.000 -2.156) 2.240 6.442 ( 2.132 0.000 1.906) 2.860 6.564 ( 2.769 0.000 -2.417) 3.675 6.852 ( -4.341 0.000 7.708) 8.847 6.873 ( -2.625 0.000 9.618) 9.970 6.973 ( -4.286 0.000 10.519) 11.358 7.192 ( 2.418 0.000 -4.518) 5.124 7.349 ( -0.237 0.000 -0.852) 0.884 7.507 ( -9.373 0.000 -1.398) 9.477 7.620 ( -1.053 0.000 1.093) 1.518 7.668 ( 0.224 0.000 4.584) 4.590 7.744 ( 2.284 0.000 -8.436) 8.740 8.039 ( -3.667 0.000 4.004) 5.429 8.144 ( 1.310 0.000 -3.399) 3.642 8.519 ( 2.708 0.000 -0.572) 2.768 8.800 ( 0.062 0.000 0.649) 0.652 8.816 ( 0.200 0.000 -0.518) 0.555 9.040 ( -1.223 0.000 -2.573) 2.849 9.072 ( 0.954 0.000 -1.925) 2.148 9.596 ( -3.773 0.000 -2.428) 4.487 10.012 ( -0.518 0.000 -1.281) 1.382 10.043 ( -0.258 0.000 -1.774) 1.793 10.260 ( -1.663 0.000 -2.639) 3.119 10.406 ( 1.326 0.000 3.891) 4.110 10.853 ( 3.405 0.000 -3.955) 5.219 11.291 ( 2.869 0.000 3.995) 4.918 11.291 ( -4.048 0.000 0.251) 4.056 11.741 ( -0.917 0.000 2.140) 2.328 11.896 ( 1.278 0.000 0.427) 1.347 12.006 ( 3.378 0.000 -0.813) 3.474 12.051 ( -4.713 0.000 -0.455) 4.735 12.417 ( 0.286 0.000 -4.266) 4.276 12.559 ( -0.373 0.000 -4.114) 4.131 12.756 ( 6.620 0.000 -1.277) 6.742 12.849 ( 2.859 0.000 8.834) 9.285 12.936 ( -8.127 0.000 3.711) 8.934 13.175 ( 7.045 0.000 -7.039) 9.959 13.267 ( 0.723 0.000 8.926) 8.955 13.499 ( 1.192 0.000 1.688) 2.066 13.694 ( 0.601 0.000 0.536) 0.806 14.297 ( -5.492 0.000 -4.552) 7.133 14.703 ( 4.526 0.000 4.111) 6.114 14.898 ( -6.973 0.000 3.399) 7.758 15.047 ( -4.706 0.000 10.637) 11.631 15.124 ( -12.888 0.000 -3.983) 13.490 15.417 ( 0.664 0.000 5.130) 5.173 15.700 ( 2.480 0.000 9.265) 9.591 16.363 ( 0.275 0.000 -2.447) 2.463 16.502 ( -2.116 0.000 -7.740) 8.024 16.570 ( 10.967 0.000 -12.461) 16.600 16.725 ( -1.340 0.000 -1.818) 2.259 17.033 ( 0.630 0.000 2.432) 2.512 17.160 ( 8.042 0.000 1.517) 8.184 17.196 ( -1.992 0.000 4.792) 5.190 17.383 ( -7.150 0.000 -0.002) 7.150 17.519 ( 3.982 0.000 -1.292) 4.186 17.653 ( 6.002 0.000 -5.767) 8.324 17.793 ( 12.095 0.000 13.445) 18.085 18.053 ( -13.815 0.000 3.690) 14.299 18.424 ( 2.618 0.000 -6.681) 7.176 18.604 ( -2.531 0.000 -2.391) 3.482 18.742 ( -0.393 0.000 -2.876) 2.902 18.785 ( -9.417 0.000 -6.066) 11.202 18.921 ( -13.897 0.000 -3.166) 14.253 19.073 ( -2.128 0.000 2.429) 3.229 19.080 ( 3.726 0.000 -2.632) 4.562 19.424 ( 0.423 0.000 -2.650) 2.684 19.429 ( -0.887 0.000 1.030) 1.359 19.510 ( 5.145 0.000 5.758) 7.722 19.716 ( 3.244 0.000 -4.199) 5.306 19.754 ( -3.896 0.000 -1.877) 4.324 19.791 ( 1.104 0.000 -0.361) 1.162 20.052 ( -0.180 0.000 -2.351) 2.357 20.179 ( 0.137 0.000 2.022) 2.026 20.352 ( 3.452 0.000 -1.666) 3.833 20.606 ( -0.118 0.000 2.313) 2.316 20.754 ( 1.551 0.000 -2.091) 2.604 21.136 ( -6.677 0.000 -7.452) 10.006 21.283 ( 5.121 0.000 -4.154) 6.594 21.974 ( -3.517 0.000 0.780) 3.602 22.023 ( 0.799 0.000 -1.779) 1.950 22.121 ( -1.182 0.000 5.180) 5.313 22.299 ( 4.201 0.000 -6.221) 7.507 23.169 ( 2.272 0.000 0.874) 2.434 23.266 ( 9.161 0.000 -0.346) 9.167 23.721 ( -0.333 0.000 16.915) 16.918 23.950 ( 6.732 0.000 4.673) 8.195 24.186 ( 0.238 0.000 -2.567) 2.578 24.222 ( 0.622 0.000 -0.812) 1.023 25.016 ( -5.434 0.000 2.044) 5.806 25.563 ( -12.054 0.000 1.032) 12.098 25.743 ( -2.308 0.000 -13.011) 13.215 26.497 ( 3.023 0.000 -0.299) 3.038 26.653 ( -4.491 0.000 11.134) 12.006 26.916 ( -8.763 0.000 -10.597) 13.750 27.004 ( 2.799 0.000 -5.866) 6.500 27.008 ( -3.196 0.000 1.033) 3.358 27.534 ( 2.309 0.000 6.785) 7.167 27.625 ( -1.695 0.000 3.173) 3.597 27.723 ( -1.224 0.000 -0.167) 1.235 28.144 ( 0.681 0.000 10.564) 10.586 28.154 ( 0.402 0.000 -2.352) 2.386 28.934 ( -1.729 0.000 -7.439) 7.638 28.988 ( -0.211 0.000 -6.307) 6.310 29.078 ( 11.319 0.000 -6.617) 13.111 29.156 ( 0.050 0.000 0.146) 0.155 29.340 ( 2.375 0.000 -3.749) 4.438 29.523 ( 2.985 0.000 -0.300) 3.000 29.749 ( -6.929 0.000 -3.770) 7.888 30.073 ( 4.177 0.000 -2.637) 4.940 30.723 ( 27.441 0.000 -4.591) 27.823 31.529 ( -14.215 0.000 2.838) 14.496 31.723 ( -0.391 0.000 6.415) 6.427 32.105 ( -5.509 0.000 7.999) 9.713 32.473 ( 2.252 0.000 9.795) 10.050 32.474 ( 0.377 0.000 6.857) 6.868 32.716 ( -0.284 0.000 -6.781) 6.787 33.392 ( 5.867 0.000 -6.971) 9.112 33.461 ( 4.183 0.000 1.008) 4.302 33.784 ( -3.051 0.000 9.906) 10.365 34.052 ( 0.454 0.000 2.874) 2.910 34.186 ( 2.018 0.000 -2.543) 3.246 34.296 ( -1.506 0.000 -6.919) 7.081 38.179 ( 1.141 0.000 1.990) 2.294 38.262 ( 0.430 0.000 -1.087) 1.169 38.418 ( -22.696 0.000 -3.121) 22.910 38.480 ( 1.283 0.000 -0.381) 1.338 38.656 ( 6.115 0.000 2.766) 6.711 38.891 ( -3.087 0.000 3.435) 4.618 38.992 ( -1.541 0.000 -2.200) 2.686 39.090 ( 16.079 0.000 1.830) 16.183 39.217 ( -5.300 0.000 1.258) 5.447 39.306 ( 8.271 0.000 7.822) 11.384 39.324 ( 4.179 0.000 0.576) 4.218 39.777 ( -3.576 0.000 9.732) 10.368 40.240 ( 1.199 0.000 0.273) 1.229 40.700 ( 6.151 0.000 -0.821) 6.205 40.861 ( -16.077 0.000 -8.734) 18.296 40.862 ( -4.146 0.000 3.641) 5.518 41.267 ( -2.385 0.000 -7.312) 7.691 41.271 ( -3.010 0.000 4.243) 5.202 41.347 ( 0.322 0.000 2.612) 2.632 41.705 ( -22.386 0.000 -5.449) 23.040 41.936 ( 3.531 0.000 1.744) 3.938 42.138 ( -3.848 0.000 -3.097) 4.939 42.900 ( -1.172 0.000 0.870) 1.460 43.382 ( 59.438 0.000 -6.529) 59.795 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 18.970 0.000 33.156) 38.199 1.398 ( 19.982 0.000 29.334) 35.493 1.966 ( 43.562 0.000 23.478) 49.486 2.479 ( 14.765 0.000 10.042) 17.856 2.574 ( 5.867 0.000 -6.814) 8.991 2.907 ( 8.927 0.000 7.403) 11.597 2.980 ( -1.793 0.000 -5.127) 5.431 3.031 ( 2.685 0.000 6.403) 6.943 3.255 ( 4.012 0.000 2.441) 4.696 3.283 ( -4.775 0.000 -1.052) 4.889 3.377 ( 2.012 0.000 -10.313) 10.508 3.522 ( 12.340 0.000 -12.586) 17.627 3.760 ( 0.761 0.000 -1.822) 1.974 3.854 ( 2.960 0.000 -4.818) 5.654 3.988 ( -0.013 0.000 -3.295) 3.295 4.233 ( 3.814 0.000 2.251) 4.429 4.250 ( 2.703 0.000 -6.411) 6.957 4.261 ( -0.601 0.000 3.504) 3.555 4.365 ( 1.372 0.000 2.093) 2.503 4.517 ( 4.780 0.000 -6.862) 8.363 4.657 ( 5.928 0.000 -4.491) 7.437 4.832 ( -11.221 0.000 0.093) 11.222 4.982 ( 0.917 0.000 -3.444) 3.564 5.031 ( -0.004 0.000 5.243) 5.243 5.306 ( -2.604 0.000 2.959) 3.942 5.375 ( 3.141 0.000 1.760) 3.600 5.461 ( 6.392 0.000 -3.340) 7.213 5.541 ( 2.955 0.000 1.412) 3.275 5.545 ( 1.975 0.000 -2.031) 2.833 5.674 ( 1.928 0.000 -0.508) 1.993 5.782 ( -0.781 0.000 -3.650) 3.732 5.802 ( 8.307 0.000 -4.069) 9.250 6.244 ( 0.087 0.000 -10.110) 10.110 6.287 ( -2.484 0.000 -3.080) 3.957 6.357 ( -6.202 0.000 -2.357) 6.635 6.667 ( -0.009 0.000 3.626) 3.626 6.762 ( -7.233 0.000 10.363) 12.638 6.864 ( -3.134 0.000 5.547) 6.370 6.956 ( -1.644 0.000 5.953) 6.176 7.143 ( -3.401 0.000 0.383) 3.423 7.295 ( -1.393 0.000 2.256) 2.651 7.319 ( -7.352 0.000 8.526) 11.258 7.636 ( 3.559 0.000 -1.046) 3.709 7.688 ( -3.586 0.000 -8.792) 9.495 7.715 ( -0.374 0.000 2.328) 2.357 7.879 ( -11.719 0.000 -0.331) 11.723 8.175 ( 3.516 0.000 -1.324) 3.757 8.370 ( -10.395 0.000 2.010) 10.587 8.854 ( 3.478 0.000 0.654) 3.539 8.903 ( 4.555 0.000 -1.645) 4.843 9.050 ( 4.401 0.000 -3.104) 5.386 9.218 ( 12.442 0.000 -2.038) 12.608 9.592 ( 3.145 0.000 2.376) 3.942 10.055 ( 5.175 0.000 -2.052) 5.567 10.089 ( 6.498 0.000 -3.026) 7.168 10.242 ( 2.032 0.000 -4.155) 4.626 10.518 ( 7.344 0.000 3.773) 8.256 10.865 ( 1.145 0.000 -7.923) 8.005 11.229 ( -2.584 0.000 3.439) 4.301 11.387 ( 4.294 0.000 3.768) 5.713 11.726 ( -1.971 0.000 -1.026) 2.222 11.845 ( -11.775 0.000 -4.559) 12.627 11.942 ( 2.993 0.000 1.665) 3.425 12.078 ( 3.877 0.000 3.271) 5.073 12.377 ( -3.265 0.000 2.470) 4.094 12.549 ( 1.257 0.000 -4.010) 4.203 12.836 ( 3.081 0.000 -7.667) 8.263 12.883 ( 0.072 0.000 7.134) 7.134 12.976 ( 4.970 0.000 13.414) 14.306 13.251 ( 4.202 0.000 -7.496) 8.594 13.374 ( 4.205 0.000 11.924) 12.644 13.516 ( -1.561 0.000 2.715) 3.132 13.692 ( -1.390 0.000 2.508) 2.867 14.145 ( -5.844 0.000 -4.415) 7.325 14.658 ( -7.996 0.000 1.259) 8.095 14.743 ( -20.041 0.000 -7.886) 21.537 14.835 ( -3.087 0.000 5.572) 6.370 15.120 ( 6.462 0.000 5.403) 8.423 15.415 ( -4.698 0.000 1.826) 5.040 15.787 ( -2.045 0.000 12.819) 12.981 16.293 ( -6.322 0.000 -2.697) 6.873 16.413 ( -1.380 0.000 -6.641) 6.783 16.639 ( -4.908 0.000 -6.444) 8.101 16.719 ( -2.009 0.000 -0.543) 2.081 16.945 ( -19.697 0.000 6.354) 20.696 17.035 ( 1.503 0.000 2.681) 3.074 17.159 ( -3.507 0.000 5.139) 6.222 17.198 ( -8.607 0.000 -4.536) 9.729 17.516 ( -4.272 0.000 1.721) 4.605 17.776 ( 9.300 0.000 -9.823) 13.528 17.996 ( 0.508 0.000 14.105) 14.114 18.044 ( 9.469 0.000 0.418) 9.478 18.387 ( -7.243 0.000 0.809) 7.288 18.504 ( -7.470 0.000 -7.386) 10.505 18.572 ( -1.550 0.000 0.444) 1.613 18.768 ( -1.165 0.000 -3.163) 3.370 18.776 ( 5.491 0.000 -4.269) 6.955 19.089 ( 2.732 0.000 0.873) 2.868 19.278 ( 9.628 0.000 -5.809) 11.245 19.378 ( -3.490 0.000 1.274) 3.715 19.435 ( 2.057 0.000 -0.629) 2.151 19.611 ( -0.330 0.000 5.830) 5.839 19.693 ( 1.932 0.000 -5.333) 5.672 19.756 ( 2.887 0.000 -3.053) 4.202 19.821 ( 2.471 0.000 -2.351) 3.411 20.035 ( 0.318 0.000 -0.907) 0.961 20.181 ( -1.236 0.000 1.571) 1.999 20.383 ( -0.018 0.000 -2.214) 2.214 20.606 ( -1.064 0.000 2.698) 2.900 20.834 ( 7.709 0.000 -1.191) 7.800 20.963 ( -4.315 0.000 -12.026) 12.777 21.344 ( 2.233 0.000 -1.230) 2.550 21.905 ( -3.058 0.000 -0.456) 3.092 22.030 ( 0.389 0.000 -0.829) 0.915 22.138 ( 0.345 0.000 2.575) 2.598 22.320 ( 0.402 0.000 -3.290) 3.314 22.978 ( -18.675 0.000 2.618) 18.858 23.123 ( -19.974 0.000 -1.315) 20.018 23.567 ( -21.617 0.000 17.519) 27.825 23.916 ( -11.360 0.000 0.585) 11.375 24.366 ( 12.947 0.000 2.598) 13.205 24.435 ( 18.555 0.000 -0.922) 18.578 25.085 ( 11.045 0.000 -0.906) 11.082 25.464 ( 2.028 0.000 -2.565) 3.270 25.788 ( 11.050 0.000 -10.498) 15.242 26.547 ( 1.693 0.000 -0.815) 1.879 26.619 ( -3.266 0.000 6.054) 6.879 26.785 ( -0.166 0.000 -7.586) 7.588 27.008 ( 0.175 0.000 -3.341) 3.346 27.037 ( 5.502 0.000 3.651) 6.603 27.606 ( -2.285 0.000 5.060) 5.552 27.665 ( 6.667 0.000 2.687) 7.188 27.713 ( 0.443 0.000 -0.437) 0.622 28.128 ( -1.469 0.000 -2.538) 2.932 28.167 ( -3.976 0.000 11.517) 12.184 28.884 ( 2.161 0.000 -9.831) 10.066 28.894 ( -3.113 0.000 -6.988) 7.650 29.230 ( 7.024 0.000 -0.038) 7.024 29.253 ( 1.134 0.000 1.153) 1.617 29.364 ( 12.072 0.000 -9.091) 15.112 29.621 ( 8.844 0.000 1.924) 9.051 29.724 ( 4.645 0.000 -0.796) 4.712 30.224 ( 13.484 0.000 -7.577) 15.467 30.991 ( -2.439 0.000 6.825) 7.247 31.471 ( 7.736 0.000 -14.917) 16.804 31.677 ( -8.031 0.000 9.912) 12.758 31.965 ( -10.903 0.000 3.860) 11.566 32.538 ( -2.634 0.000 0.664) 2.717 32.616 ( 5.958 0.000 9.781) 11.453 32.618 ( -0.522 0.000 -2.430) 2.485 33.450 ( 0.056 0.000 2.166) 2.167 33.491 ( -2.529 0.000 2.923) 3.865 33.788 ( -3.157 0.000 10.689) 11.145 34.043 ( -0.398 0.000 -1.735) 1.780 34.067 ( -11.154 0.000 -10.775) 15.508 34.263 ( 4.379 0.000 1.072) 4.508 38.071 ( -5.095 0.000 -1.500) 5.312 38.210 ( -4.178 0.000 -2.586) 4.914 38.327 ( 1.576 0.000 3.349) 3.701 38.498 ( 0.522 0.000 -2.006) 2.073 38.736 ( -1.158 0.000 5.344) 5.468 38.813 ( -5.548 0.000 7.070) 8.987 38.980 ( 0.309 0.000 -2.777) 2.794 39.081 ( -6.898 0.000 4.723) 8.360 39.273 ( 3.367 0.000 -0.727) 3.444 39.417 ( 5.673 0.000 -4.549) 7.272 39.593 ( 13.654 0.000 4.888) 14.503 39.747 ( -4.556 0.000 6.996) 8.349 40.075 ( -10.685 0.000 2.405) 10.953 40.696 ( 1.629 0.000 -1.939) 2.532 40.786 ( -2.899 0.000 3.617) 4.635 40.831 ( 4.495 0.000 0.166) 4.498 41.143 ( -12.786 0.000 -5.472) 13.908 41.210 ( 0.028 0.000 -7.223) 7.223 41.324 ( -15.678 0.000 12.148) 19.834 41.386 ( 2.136 0.000 3.788) 4.349 42.036 ( 5.504 0.000 2.457) 6.027 42.338 ( 20.266 0.000 -10.062) 22.626 42.849 ( -4.046 0.000 -0.942) 4.154 43.842 ( 6.140 0.000 -12.472) 13.901 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 14.515 0.000 29.223) 32.629 1.946 ( 22.089 0.000 18.230) 28.640 2.459 ( 6.883 0.000 3.677) 7.803 2.795 ( 17.343 0.000 -1.986) 17.456 2.872 ( 10.638 0.000 -3.471) 11.190 2.977 ( 3.541 0.000 -2.961) 4.615 3.003 ( 2.407 0.000 0.301) 2.426 3.116 ( -8.446 0.000 -4.747) 9.689 3.207 ( 9.987 0.000 11.520) 15.246 3.398 ( 2.580 0.000 -5.054) 5.675 3.446 ( 8.920 0.000 6.730) 11.174 3.575 ( -1.168 0.000 -6.647) 6.749 3.758 ( -8.929 0.000 -4.437) 9.970 3.868 ( 8.176 0.000 -4.200) 9.191 4.011 ( -6.593 0.000 5.696) 8.713 4.166 ( -5.834 0.000 4.556) 7.402 4.341 ( 4.776 0.000 -3.662) 6.018 4.369 ( 6.600 0.000 -5.812) 8.794 4.400 ( 3.885 0.000 -1.289) 4.093 4.625 ( 8.419 0.000 -8.328) 11.842 4.751 ( 12.080 0.000 -5.736) 13.372 4.804 ( 8.009 0.000 6.103) 10.069 4.945 ( -0.990 0.000 -7.279) 7.346 5.153 ( 11.534 0.000 4.858) 12.515 5.254 ( -3.309 0.000 -2.976) 4.451 5.397 ( -0.230 0.000 9.341) 9.343 5.424 ( -10.515 0.000 -0.272) 10.519 5.591 ( -0.304 0.000 1.039) 1.082 5.630 ( 6.180 0.000 3.403) 7.055 5.741 ( 5.031 0.000 -4.265) 6.595 5.775 ( 3.889 0.000 -6.013) 7.161 5.943 ( 7.794 0.000 -5.245) 9.395 6.159 ( 0.727 0.000 -18.160) 18.175 6.220 ( -5.774 0.000 -4.127) 7.097 6.268 ( 0.778 0.000 6.602) 6.648 6.552 ( -10.755 0.000 3.982) 11.468 6.724 ( -12.741 0.000 4.353) 13.464 6.750 ( 0.124 0.000 8.657) 8.658 6.983 ( 2.195 0.000 2.964) 3.688 7.234 ( 8.121 0.000 3.335) 8.779 7.279 ( -3.677 0.000 10.407) 11.038 7.331 ( 2.954 0.000 2.045) 3.593 7.483 ( -12.305 0.000 -6.039) 13.707 7.658 ( -4.965 0.000 3.523) 6.088 7.697 ( -4.940 0.000 -3.859) 6.268 7.764 ( 11.399 0.000 -4.558) 12.277 8.211 ( -8.197 0.000 6.213) 10.286 8.303 ( 10.939 0.000 -1.692) 11.069 8.967 ( 7.424 0.000 2.312) 7.776 8.969 ( 4.256 0.000 -2.554) 4.964 9.148 ( 5.813 0.000 -2.083) 6.175 9.426 ( 9.649 0.000 -3.922) 10.415 9.721 ( 7.391 0.000 5.223) 9.050 10.166 ( 7.254 0.000 -2.870) 7.801 10.254 ( 11.251 0.000 -1.308) 11.327 10.295 ( 4.901 0.000 -3.140) 5.820 10.693 ( 7.906 0.000 2.070) 8.172 10.840 ( 1.664 0.000 -9.373) 9.520 11.211 ( -2.427 0.000 4.505) 5.117 11.474 ( 2.678 0.000 -1.356) 3.002 11.588 ( -10.838 0.000 -3.939) 11.531 11.639 ( -6.231 0.000 -1.255) 6.356 12.043 ( 6.273 0.000 3.195) 7.040 12.205 ( 7.198 0.000 4.408) 8.441 12.332 ( -3.504 0.000 5.202) 6.272 12.543 ( -0.737 0.000 -2.577) 2.681 12.863 ( 3.797 0.000 -7.959) 8.818 12.940 ( 3.275 0.000 3.567) 4.843 13.118 ( -2.196 0.000 7.893) 8.193 13.245 ( 1.445 0.000 -6.469) 6.628 13.466 ( -4.019 0.000 5.547) 6.850 13.508 ( 1.091 0.000 12.749) 12.796 13.669 ( -2.676 0.000 3.708) 4.573 14.029 ( -6.511 0.000 3.070) 7.199 14.318 ( -17.443 0.000 -9.575) 19.898 14.546 ( -2.170 0.000 -1.837) 2.843 14.814 ( 1.583 0.000 -3.665) 3.992 15.248 ( -14.628 0.000 4.377) 15.268 15.280 ( 5.855 0.000 6.075) 8.437 15.572 ( -28.292 0.000 13.352) 31.284 16.092 ( -13.212 0.000 -3.379) 13.638 16.335 ( -12.886 0.000 1.897) 13.025 16.369 ( 0.190 0.000 -7.934) 7.936 16.610 ( -8.337 0.000 -0.810) 8.376 16.731 ( -2.945 0.000 -0.800) 3.051 17.064 ( -4.476 0.000 10.735) 11.631 17.189 ( 6.655 0.000 -5.424) 8.585 17.231 ( 9.165 0.000 -3.551) 9.829 17.452 ( -1.330 0.000 2.153) 2.531 17.776 ( -21.789 0.000 5.797) 22.547 17.879 ( 7.987 0.000 -12.503) 14.837 18.255 ( 10.320 0.000 -1.024) 10.371 18.335 ( -18.405 0.000 9.321) 20.631 18.455 ( 3.793 0.000 10.158) 10.843 18.482 ( 7.989 0.000 -3.479) 8.713 18.863 ( 8.872 0.000 -6.082) 10.756 18.915 ( 10.390 0.000 -4.614) 11.368 19.163 ( 4.204 0.000 1.787) 4.568 19.292 ( -2.780 0.000 -3.832) 4.734 19.322 ( -2.540 0.000 0.179) 2.547 19.494 ( 2.688 0.000 -3.403) 4.336 19.582 ( -2.607 0.000 2.123) 3.362 19.751 ( 3.089 0.000 -0.236) 3.098 19.773 ( -0.417 0.000 0.015) 0.417 19.858 ( 3.239 0.000 -5.887) 6.719 20.088 ( 5.905 0.000 -2.989) 6.619 20.127 ( -4.797 0.000 0.250) 4.804 20.332 ( -3.120 0.000 -2.205) 3.820 20.625 ( 2.428 0.000 3.073) 3.916 20.852 ( -1.045 0.000 -12.839) 12.881 21.016 ( 10.075 0.000 -1.785) 10.232 21.344 ( -0.871 0.000 -2.274) 2.435 21.860 ( -1.072 0.000 -1.395) 1.759 22.014 ( -2.208 0.000 -0.722) 2.323 22.146 ( -0.692 0.000 -0.460) 0.831 22.283 ( -3.029 0.000 -0.357) 3.050 22.617 ( -17.806 0.000 3.979) 18.245 22.674 ( -21.847 0.000 -2.213) 21.958 23.147 ( -27.625 0.000 12.958) 30.513 23.634 ( -14.696 0.000 -2.715) 14.945 24.610 ( 9.311 0.000 4.755) 10.455 24.799 ( 17.821 0.000 -2.530) 18.000 25.286 ( 5.180 0.000 6.674) 8.448 25.600 ( 12.745 0.000 -4.070) 13.380 25.972 ( 10.093 0.000 -1.384) 10.187 26.550 ( 0.056 0.000 -3.425) 3.425 26.616 ( 1.679 0.000 1.081) 1.997 26.777 ( 2.128 0.000 -6.183) 6.539 26.987 ( -0.185 0.000 -2.933) 2.939 27.242 ( 11.584 0.000 4.012) 12.259 27.589 ( -3.217 0.000 8.199) 8.808 27.731 ( 1.312 0.000 -0.089) 1.315 27.782 ( 4.385 0.000 0.070) 4.386 28.103 ( 1.566 0.000 -3.683) 4.002 28.122 ( -6.723 0.000 11.827) 13.605 28.793 ( -3.979 0.000 -6.112) 7.293 28.930 ( 7.670 0.000 -9.386) 12.121 29.245 ( 0.470 0.000 -3.756) 3.785 29.395 ( 9.112 0.000 -0.173) 9.113 29.541 ( 7.027 0.000 -1.344) 7.155 29.884 ( 11.016 0.000 0.567) 11.030 29.953 ( 22.538 0.000 1.504) 22.588 30.489 ( 18.025 0.000 -10.662) 20.943 30.928 ( -8.077 0.000 15.904) 17.837 31.497 ( 0.544 0.000 -10.399) 10.413 31.543 ( -11.719 0.000 14.364) 18.538 31.769 ( -6.659 0.000 -7.947) 10.368 32.303 ( -13.310 0.000 -9.308) 16.242 32.742 ( 6.212 0.000 5.576) 8.348 32.770 ( 4.644 0.000 8.069) 9.310 33.385 ( -9.012 0.000 5.839) 10.738 33.408 ( -6.583 0.000 2.304) 6.975 33.755 ( -6.093 0.000 10.448) 12.094 33.858 ( -2.670 0.000 -13.454) 13.716 34.033 ( 1.084 0.000 -4.977) 5.093 34.323 ( 0.882 0.000 1.061) 1.380 38.012 ( -0.185 0.000 -4.324) 4.328 38.114 ( -2.735 0.000 -4.543) 5.303 38.359 ( -1.044 0.000 5.824) 5.917 38.458 ( -3.491 0.000 -2.100) 4.074 38.679 ( -6.512 0.000 4.847) 8.118 38.788 ( -1.936 0.000 9.749) 9.939 38.929 ( -4.484 0.000 -1.329) 4.677 39.022 ( -1.717 0.000 4.128) 4.471 39.284 ( -2.030 0.000 3.088) 3.696 39.480 ( 3.264 0.000 -4.091) 5.234 39.667 ( -2.950 0.000 -2.748) 4.032 39.857 ( 11.340 0.000 1.683) 11.464 40.012 ( -1.003 0.000 9.180) 9.235 40.718 ( -4.722 0.000 2.664) 5.422 40.727 ( -2.134 0.000 -2.364) 3.185 40.820 ( -9.204 0.000 -5.533) 10.739 40.934 ( 4.717 0.000 -0.458) 4.739 41.183 ( 0.602 0.000 -5.182) 5.217 41.208 ( -6.611 0.000 13.011) 14.594 41.467 ( 3.539 0.000 4.727) 5.905 42.173 ( 7.205 0.000 2.659) 7.680 42.671 ( 19.615 0.000 -14.592) 24.447 42.736 ( -6.454 0.000 -2.967) 7.104 43.807 ( -2.359 0.000 -6.046) 6.490 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 11.703 0.000 18.355) 21.768 2.392 ( 15.125 0.000 8.554) 17.376 2.537 ( 2.784 0.000 -3.574) 4.530 2.835 ( -12.178 0.000 -6.143) 13.639 2.964 ( 3.611 0.000 -0.671) 3.673 3.018 ( 6.105 0.000 -3.929) 7.260 3.050 ( 2.240 0.000 1.420) 2.652 3.233 ( -10.211 0.000 2.724) 10.568 3.274 ( 19.829 0.000 1.769) 19.907 3.419 ( 1.769 0.000 -1.694) 2.449 3.425 ( -9.745 0.000 -3.027) 10.204 3.511 ( -2.044 0.000 -2.899) 3.547 3.715 ( 2.861 0.000 1.600) 3.278 3.833 ( -9.608 0.000 11.671) 15.117 3.840 ( -7.115 0.000 -3.573) 7.962 4.171 ( 2.218 0.000 3.555) 4.190 4.421 ( 0.505 0.000 1.692) 1.766 4.447 ( 6.531 0.000 -7.948) 10.287 4.449 ( 4.892 0.000 -2.686) 5.581 4.630 ( -3.154 0.000 -9.412) 9.927 4.934 ( 1.243 0.000 6.136) 6.261 4.958 ( 4.457 0.000 0.506) 4.485 5.050 ( 15.996 0.000 -4.789) 16.698 5.174 ( -2.193 0.000 -2.388) 3.242 5.219 ( -5.802 0.000 -0.571) 5.830 5.406 ( -5.784 0.000 -4.552) 7.360 5.481 ( 2.959 0.000 10.191) 10.611 5.624 ( 15.330 0.000 -0.818) 15.352 5.648 ( -4.409 0.000 -0.562) 4.444 5.821 ( 5.634 0.000 -2.745) 6.267 5.889 ( 9.423 0.000 -6.603) 11.506 6.029 ( 4.101 0.000 -5.554) 6.904 6.094 ( -1.447 0.000 -8.313) 8.438 6.114 ( -2.462 0.000 -3.343) 4.151 6.387 ( -7.427 0.000 2.190) 7.743 6.448 ( 14.034 0.000 6.602) 15.510 6.500 ( -10.963 0.000 5.695) 12.354 6.798 ( -0.906 0.000 8.420) 8.469 7.064 ( 3.306 0.000 0.799) 3.402 7.185 ( -8.846 0.000 -0.220) 8.849 7.241 ( -4.315 0.000 -0.531) 4.347 7.297 ( -4.582 0.000 6.239) 7.741 7.494 ( 7.114 0.000 3.003) 7.721 7.579 ( -4.418 0.000 2.725) 5.191 7.631 ( -0.143 0.000 -3.121) 3.124 8.041 ( 16.929 0.000 -5.251) 17.725 8.092 ( -9.088 0.000 8.809) 12.657 8.539 ( 11.946 0.000 -2.166) 12.140 9.054 ( 4.971 0.000 0.473) 4.993 9.142 ( 8.321 0.000 1.181) 8.404 9.229 ( 4.005 0.000 -2.695) 4.827 9.554 ( 6.608 0.000 -6.040) 8.953 9.901 ( 7.400 0.000 4.296) 8.557 10.295 ( 6.677 0.000 -2.343) 7.077 10.378 ( 4.696 0.000 -1.024) 4.806 10.492 ( 12.047 0.000 1.652) 12.159 10.799 ( 2.098 0.000 -0.486) 2.154 10.835 ( 1.859 0.000 -9.405) 9.587 11.142 ( -6.408 0.000 2.194) 6.773 11.339 ( -7.529 0.000 -1.429) 7.663 11.510 ( -6.060 0.000 4.208) 7.377 11.554 ( 2.853 0.000 -4.450) 5.286 12.212 ( 6.804 0.000 5.063) 8.481 12.301 ( -0.008 0.000 3.124) 3.124 12.382 ( 7.279 0.000 -0.162) 7.281 12.503 ( -0.457 0.000 0.357) 0.580 12.848 ( -19.107 0.000 -7.334) 20.467 12.882 ( 0.950 0.000 -5.395) 5.478 13.061 ( 7.963 0.000 0.132) 7.965 13.303 ( -0.859 0.000 7.425) 7.474 13.454 ( -10.836 0.000 4.605) 11.774 13.457 ( 0.008 0.000 2.730) 2.730 13.648 ( -1.535 0.000 3.642) 3.953 13.886 ( -10.881 0.000 5.733) 12.299 14.080 ( -1.936 0.000 -0.012) 1.937 14.567 ( 5.224 0.000 -2.839) 5.946 14.888 ( 9.074 0.000 -8.941) 12.739 14.889 ( -23.077 0.000 6.296) 23.920 15.062 ( -26.140 0.000 13.900) 29.606 15.391 ( 2.175 0.000 5.519) 5.933 15.852 ( -6.161 0.000 -3.995) 7.343 16.230 ( -3.423 0.000 4.175) 5.399 16.325 ( -0.463 0.000 -7.880) 7.894 16.415 ( -7.949 0.000 -7.408) 10.866 16.736 ( 2.435 0.000 -4.158) 4.819 17.022 ( -4.313 0.000 6.418) 7.733 17.218 ( -1.622 0.000 -0.498) 1.697 17.362 ( 4.659 0.000 -2.374) 5.229 17.406 ( -15.349 0.000 11.337) 19.082 17.564 ( 5.421 0.000 1.748) 5.696 18.008 ( 11.532 0.000 -9.300) 14.815 18.075 ( -9.110 0.000 7.702) 11.929 18.392 ( 6.461 0.000 -5.577) 8.535 18.472 ( -7.984 0.000 7.677) 11.076 18.735 ( 15.741 0.000 2.793) 15.987 18.977 ( -5.670 0.000 -7.981) 9.790 18.997 ( 7.136 0.000 -3.480) 7.939 19.262 ( 2.079 0.000 2.243) 3.058 19.298 ( 8.270 0.000 -1.142) 8.348 19.317 ( 3.821 0.000 3.030) 4.876 19.484 ( -0.558 0.000 -3.056) 3.106 19.546 ( -2.562 0.000 2.292) 3.438 19.764 ( 0.188 0.000 -0.840) 0.861 19.782 ( 0.167 0.000 0.624) 0.646 19.880 ( 1.672 0.000 -3.127) 3.546 20.030 ( -4.190 0.000 -1.253) 4.373 20.147 ( 0.959 0.000 -8.441) 8.495 20.294 ( 1.085 0.000 -0.866) 1.388 20.739 ( 6.397 0.000 2.068) 6.723 20.759 ( -2.112 0.000 -8.202) 8.469 21.043 ( -6.747 0.000 -6.893) 9.646 21.409 ( 11.649 0.000 -6.447) 13.314 21.852 ( 1.250 0.000 -1.705) 2.114 21.922 ( -5.924 0.000 -0.067) 5.924 22.076 ( -5.718 0.000 -1.264) 5.856 22.226 ( -3.092 0.000 4.562) 5.511 22.326 ( -12.796 0.000 -3.223) 13.196 22.406 ( -5.703 0.000 4.475) 7.250 22.705 ( -21.738 0.000 7.501) 22.996 23.374 ( -8.977 0.000 -5.804) 10.690 24.774 ( 5.335 0.000 3.600) 6.437 25.055 ( 9.835 0.000 -4.480) 10.807 25.333 ( -4.531 0.000 11.600) 12.454 25.857 ( 13.614 0.000 0.971) 13.649 26.155 ( 7.259 0.000 6.924) 10.032 26.514 ( -1.240 0.000 -6.023) 6.149 26.691 ( 4.311 0.000 0.762) 4.378 26.798 ( 2.861 0.000 -3.843) 4.791 26.992 ( 3.120 0.000 -3.732) 4.864 27.434 ( 5.134 0.000 1.487) 5.345 27.565 ( -4.057 0.000 10.002) 10.793 27.750 ( 0.337 0.000 0.113) 0.355 27.828 ( 0.084 0.000 -1.422) 1.424 28.036 ( -7.944 0.000 10.437) 13.116 28.181 ( 8.831 0.000 -4.535) 9.928 28.679 ( -4.564 0.000 -3.928) 6.022 29.058 ( 8.827 0.000 -7.309) 11.460 29.229 ( 0.233 0.000 -6.132) 6.137 29.547 ( 5.747 0.000 0.226) 5.751 29.641 ( 3.596 0.000 0.615) 3.648 30.129 ( 13.276 0.000 0.824) 13.301 30.400 ( 20.095 0.000 1.870) 20.182 30.771 ( 14.171 0.000 -7.369) 15.973 30.867 ( -6.697 0.000 15.605) 16.982 31.345 ( -12.715 0.000 1.717) 12.830 31.402 ( -9.762 0.000 14.322) 17.333 31.706 ( 7.717 0.000 -18.662) 20.194 31.989 ( -12.129 0.000 -10.066) 15.762 32.849 ( 0.535 0.000 6.465) 6.487 32.869 ( 1.613 0.000 5.372) 5.609 33.194 ( -11.164 0.000 1.679) 11.289 33.299 ( -3.860 0.000 -1.698) 4.217 33.681 ( -5.999 0.000 9.090) 10.891 33.811 ( 2.545 0.000 -7.724) 8.132 34.027 ( 1.280 0.000 -6.263) 6.392 34.315 ( -1.423 0.000 -0.173) 1.433 38.006 ( 1.864 0.000 -4.285) 4.673 38.083 ( 2.307 0.000 -4.526) 5.080 38.352 ( -3.264 0.000 8.401) 9.013 38.360 ( -5.087 0.000 -1.401) 5.277 38.568 ( -5.664 0.000 -0.223) 5.668 38.793 ( -4.150 0.000 4.754) 6.310 38.841 ( -2.633 0.000 2.924) 3.935 39.029 ( 0.047 0.000 3.871) 3.871 39.244 ( -2.779 0.000 0.976) 2.946 39.499 ( 0.477 0.000 0.306) 0.566 39.660 ( 2.783 0.000 -1.177) 3.022 40.035 ( 6.407 0.000 -0.778) 6.454 40.057 ( 0.246 0.000 8.367) 8.371 40.540 ( -7.841 0.000 -3.503) 8.588 40.635 ( -4.455 0.000 0.035) 4.456 40.802 ( 0.447 0.000 0.826) 0.939 40.991 ( 1.905 0.000 -2.424) 3.083 41.182 ( -2.158 0.000 10.318) 10.541 41.191 ( 2.247 0.000 -1.889) 2.935 41.553 ( 2.142 0.000 5.279) 5.697 42.338 ( 7.601 0.000 3.442) 8.344 42.575 ( -7.610 0.000 -4.844) 9.021 42.927 ( 15.049 0.000 -17.075) 22.761 43.712 ( -4.402 0.000 -5.290) 6.882 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -9.160 0.000 -2.015) 9.379 2.406 ( -16.251 0.000 -8.094) 18.156 2.567 ( 0.967 0.000 0.860) 1.294 2.747 ( 7.163 0.000 1.074) 7.243 2.984 ( -1.876 0.000 5.244) 5.569 3.030 ( -0.215 0.000 3.152) 3.160 3.079 ( 1.988 0.000 -2.402) 3.118 3.126 ( -0.610 0.000 2.425) 2.500 3.366 ( 2.118 0.000 4.282) 4.778 3.370 ( -7.665 0.000 -1.770) 7.867 3.474 ( -2.656 0.000 -2.404) 3.583 3.498 ( 2.807 0.000 -2.065) 3.484 3.675 ( -3.145 0.000 5.431) 6.276 3.826 ( 0.109 0.000 0.087) 0.139 3.874 ( 14.360 0.000 6.590) 15.800 4.158 ( -2.842 0.000 -4.735) 5.523 4.380 ( -4.591 0.000 1.132) 4.728 4.514 ( -1.471 0.000 -4.753) 4.975 4.561 ( 5.230 0.000 4.393) 6.830 4.603 ( 10.069 0.000 -4.054) 10.855 4.936 ( -1.920 0.000 2.615) 3.244 5.025 ( -0.165 0.000 4.768) 4.770 5.079 ( -7.120 0.000 -12.208) 14.132 5.153 ( -6.238 0.000 -7.239) 9.555 5.190 ( 4.699 0.000 1.255) 4.863 5.348 ( 9.834 0.000 0.008) 9.834 5.473 ( -8.691 0.000 1.156) 8.768 5.616 ( 3.083 0.000 0.267) 3.095 5.757 ( -1.377 0.000 -8.335) 8.448 5.959 ( 0.202 0.000 4.787) 4.791 6.002 ( 2.929 0.000 -2.949) 4.156 6.041 ( -1.157 0.000 -4.999) 5.131 6.062 ( 7.952 0.000 -1.456) 8.084 6.121 ( 7.587 0.000 -2.822) 8.095 6.270 ( -4.656 0.000 -1.291) 4.832 6.426 ( -0.665 0.000 8.692) 8.718 6.687 ( -1.771 0.000 -8.266) 8.454 6.817 ( 2.169 0.000 24.587) 24.682 7.045 ( 4.358 0.000 -6.514) 7.837 7.155 ( -2.536 0.000 -4.225) 4.928 7.171 ( -3.144 0.000 8.622) 9.178 7.259 ( -0.746 0.000 4.650) 4.710 7.478 ( -5.575 0.000 -0.721) 5.621 7.596 ( 0.367 0.000 4.089) 4.106 7.645 ( 2.487 0.000 -2.655) 3.638 7.928 ( -11.526 0.000 6.684) 13.324 8.220 ( 1.561 0.000 -3.460) 3.796 8.659 ( 0.704 0.000 -2.550) 2.646 9.152 ( 3.003 0.000 5.132) 5.946 9.231 ( -0.406 0.000 -2.151) 2.189 9.277 ( 1.860 0.000 -3.365) 3.845 9.619 ( 2.904 0.000 -5.759) 6.450 10.007 ( 0.883 0.000 3.602) 3.709 10.346 ( -0.031 0.000 -4.765) 4.765 10.448 ( 0.413 0.000 0.617) 0.742 10.597 ( -2.829 0.000 -2.759) 3.951 10.752 ( -2.999 0.000 -6.948) 7.568 10.838 ( 1.126 0.000 2.359) 2.614 11.115 ( 3.538 0.000 2.067) 4.098 11.335 ( 7.393 0.000 6.426) 9.795 11.485 ( 0.782 0.000 6.537) 6.584 11.552 ( 0.079 0.000 -8.568) 8.569 12.206 ( -5.597 0.000 3.698) 6.709 12.391 ( -11.586 0.000 -1.338) 11.663 12.393 ( -0.590 0.000 -4.981) 5.016 12.532 ( -5.389 0.000 1.388) 5.564 12.562 ( 10.688 0.000 -2.914) 11.078 12.847 ( 1.441 0.000 -3.435) 3.725 13.217 ( 5.874 0.000 0.194) 5.877 13.240 ( -7.994 0.000 2.257) 8.306 13.389 ( 6.962 0.000 1.065) 7.043 13.465 ( 0.153 0.000 -0.833) 0.847 13.622 ( -4.020 0.000 7.077) 8.139 13.707 ( -7.413 0.000 0.947) 7.473 14.191 ( 8.031 0.000 10.213) 12.992 14.598 ( -6.334 0.000 3.747) 7.359 14.670 ( 4.199 0.000 0.184) 4.203 14.757 ( -10.117 0.000 9.691) 14.009 15.025 ( 7.792 0.000 -5.667) 9.635 15.414 ( -2.074 0.000 3.261) 3.865 15.808 ( 2.225 0.000 -1.477) 2.671 16.203 ( -1.549 0.000 3.539) 3.863 16.246 ( -0.541 0.000 -7.292) 7.312 16.346 ( 4.441 0.000 -8.778) 9.838 16.730 ( -0.668 0.000 -6.492) 6.527 16.944 ( -4.707 0.000 -0.819) 4.778 17.200 ( -1.269 0.000 7.883) 7.984 17.272 ( -4.575 0.000 9.639) 10.669 17.396 ( 1.053 0.000 -2.880) 3.067 17.586 ( -3.136 0.000 1.321) 3.403 18.134 ( 3.592 0.000 9.062) 9.748 18.176 ( 7.366 0.000 -4.927) 8.862 18.298 ( -6.680 0.000 3.485) 7.535 18.458 ( 0.244 0.000 -0.461) 0.522 18.727 ( -9.719 0.000 -10.032) 13.968 19.048 ( 13.148 0.000 2.647) 13.411 19.085 ( 2.928 0.000 -0.930) 3.072 19.295 ( 1.785 0.000 1.397) 2.266 19.374 ( -0.380 0.000 -4.386) 4.403 19.414 ( -0.429 0.000 6.639) 6.653 19.501 ( -2.360 0.000 1.627) 2.867 19.552 ( 6.120 0.000 2.132) 6.480 19.771 ( 0.300 0.000 -0.555) 0.631 19.794 ( 0.870 0.000 0.930) 1.273 19.896 ( 1.568 0.000 -1.885) 2.452 19.959 ( -1.355 0.000 -3.013) 3.303 20.083 ( -0.750 0.000 -9.511) 9.540 20.289 ( -1.921 0.000 -3.823) 4.278 20.649 ( -3.012 0.000 -6.480) 7.145 20.848 ( -4.476 0.000 -12.832) 13.591 20.918 ( 8.019 0.000 4.974) 9.436 21.604 ( 11.843 0.000 -10.584) 15.883 21.842 ( -4.805 0.000 -1.775) 5.123 21.887 ( 2.303 0.000 -1.821) 2.936 22.002 ( 1.172 0.000 1.008) 1.546 22.077 ( -7.240 0.000 -1.376) 7.369 22.270 ( 3.465 0.000 9.267) 9.894 22.378 ( -1.095 0.000 3.365) 3.539 22.430 ( -9.076 0.000 1.532) 9.204 23.241 ( -0.843 0.000 -7.804) 7.849 24.839 ( -0.651 0.000 1.247) 1.406 25.124 ( -0.047 0.000 -5.136) 5.136 25.289 ( -4.953 0.000 12.745) 13.673 26.120 ( 10.716 0.000 8.397) 13.614 26.329 ( 5.535 0.000 11.968) 13.187 26.445 ( -2.046 0.000 -7.085) 7.374 26.724 ( -3.089 0.000 3.624) 4.762 26.839 ( 2.796 0.000 -3.283) 4.312 27.088 ( 8.199 0.000 -4.113) 9.172 27.460 ( -1.711 0.000 -1.315) 2.158 27.550 ( -2.875 0.000 11.504) 11.858 27.733 ( -2.079 0.000 -1.049) 2.329 27.748 ( -5.976 0.000 -6.676) 8.960 27.935 ( -7.156 0.000 8.258) 10.927 28.358 ( 9.708 0.000 -3.347) 10.269 28.599 ( -2.073 0.000 0.038) 2.073 29.149 ( 3.222 0.000 -5.315) 6.215 29.175 ( -2.091 0.000 -8.561) 8.813 29.601 ( -0.491 0.000 0.436) 0.656 29.685 ( 0.185 0.000 1.965) 1.974 30.377 ( 9.601 0.000 2.409) 9.898 30.643 ( -0.037 0.000 3.288) 3.288 30.792 ( -9.741 0.000 10.297) 14.174 30.899 ( 0.496 0.000 6.095) 6.115 31.177 ( 0.934 0.000 -0.974) 1.349 31.283 ( -9.393 0.000 -1.338) 9.488 31.839 ( 13.102 0.000 -10.993) 17.103 31.853 ( 6.183 0.000 -6.160) 8.728 32.821 ( -5.911 0.000 5.488) 8.066 32.856 ( -6.196 0.000 1.432) 6.359 33.044 ( -2.415 0.000 -0.627) 2.495 33.246 ( -0.598 0.000 -4.132) 4.175 33.636 ( -3.091 0.000 8.513) 9.057 33.852 ( 4.140 0.000 -3.321) 5.307 34.017 ( 1.072 0.000 -6.534) 6.622 34.289 ( -0.438 0.000 -1.395) 1.462 38.043 ( 4.060 0.000 -3.169) 5.151 38.156 ( 6.941 0.000 -3.510) 7.778 38.261 ( -3.777 0.000 -1.657) 4.124 38.325 ( -4.234 0.000 7.831) 8.902 38.473 ( -2.559 0.000 -3.163) 4.068 38.697 ( -5.126 0.000 0.462) 5.146 38.840 ( -1.141 0.000 4.909) 5.040 39.058 ( 0.337 0.000 4.882) 4.893 39.196 ( -1.737 0.000 -1.704) 2.433 39.533 ( 1.945 0.000 3.852) 4.315 39.725 ( 2.735 0.000 3.600) 4.521 40.087 ( -0.372 0.000 -2.719) 2.744 40.107 ( 0.208 0.000 7.632) 7.635 40.420 ( -1.914 0.000 -5.364) 5.695 40.557 ( -2.610 0.000 -2.434) 3.569 40.799 ( -1.492 0.000 3.502) 3.807 40.998 ( 0.812 0.000 -3.602) 3.692 41.234 ( 2.079 0.000 0.683) 2.188 41.236 ( 1.507 0.000 11.715) 11.811 41.596 ( -0.700 0.000 5.546) 5.590 42.344 ( -8.331 0.000 -6.083) 10.316 42.545 ( 6.866 0.000 3.549) 7.729 43.068 ( 9.098 0.000 -19.083) 21.141 43.573 ( -6.892 0.000 -6.793) 9.677 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -25.207 0.000 -1.899) 25.278 1.937 ( -26.663 0.000 -6.176) 27.369 2.552 ( -4.288 0.000 6.948) 8.164 2.851 ( 2.328 0.000 -5.466) 5.941 2.965 ( -2.434 0.000 -0.539) 2.493 3.071 ( -5.835 0.000 -3.132) 6.622 3.125 ( -1.091 0.000 3.500) 3.666 3.130 ( -5.791 0.000 3.371) 6.700 3.198 ( 9.778 0.000 11.555) 15.137 3.396 ( -5.635 0.000 -2.506) 6.167 3.476 ( 3.127 0.000 -1.313) 3.392 3.588 ( 6.285 0.000 0.166) 6.287 3.635 ( -6.306 0.000 0.986) 6.382 3.825 ( 2.744 0.000 -0.695) 2.831 4.054 ( -1.230 0.000 -9.187) 9.269 4.166 ( 4.825 0.000 9.286) 10.465 4.265 ( -6.016 0.000 -0.425) 6.031 4.522 ( 5.646 0.000 -3.171) 6.475 4.637 ( -3.378 0.000 -0.352) 3.396 4.745 ( 4.359 0.000 -1.607) 4.646 4.798 ( -2.137 0.000 -13.193) 13.365 4.975 ( -1.802 0.000 6.978) 7.207 5.013 ( -3.737 0.000 4.478) 5.832 5.046 ( -2.552 0.000 -7.772) 8.180 5.328 ( -2.975 0.000 2.575) 3.935 5.347 ( 6.454 0.000 1.578) 6.644 5.498 ( 2.947 0.000 0.478) 2.985 5.602 ( -2.566 0.000 -6.589) 7.071 5.617 ( -5.068 0.000 -0.737) 5.121 5.891 ( -5.358 0.000 -2.158) 5.776 5.918 ( -9.084 0.000 -2.949) 9.551 6.050 ( 3.503 0.000 -2.873) 4.531 6.164 ( -5.788 0.000 -3.755) 6.899 6.305 ( 12.912 0.000 6.458) 14.437 6.324 ( 12.860 0.000 0.622) 12.875 6.494 ( -9.434 0.000 -2.800) 9.841 6.542 ( 6.686 0.000 9.362) 11.504 6.943 ( -6.148 0.000 9.292) 11.142 7.030 ( -10.540 0.000 10.345) 14.769 7.084 ( -4.182 0.000 -4.689) 6.283 7.149 ( 4.727 0.000 0.889) 4.810 7.346 ( -4.140 0.000 -7.806) 8.836 7.389 ( 11.318 0.000 4.286) 12.102 7.582 ( -3.763 0.000 5.671) 6.806 7.677 ( 2.274 0.000 -4.809) 5.319 7.788 ( -2.667 0.000 2.653) 3.762 8.086 ( -11.629 0.000 0.241) 11.631 8.541 ( -9.873 0.000 -5.396) 11.251 9.114 ( -8.595 0.000 -0.277) 8.600 9.194 ( -2.351 0.000 6.101) 6.538 9.248 ( -2.988 0.000 -2.127) 3.668 9.592 ( -3.341 0.000 -3.927) 5.156 9.997 ( -4.099 0.000 7.622) 8.654 10.284 ( 0.203 0.000 -11.704) 11.706 10.402 ( -4.805 0.000 4.014) 6.261 10.467 ( -7.742 0.000 -3.456) 8.478 10.743 ( 1.834 0.000 -0.814) 2.006 10.775 ( -7.515 0.000 0.910) 7.570 11.188 ( 1.925 0.000 2.049) 2.812 11.453 ( -4.204 0.000 -9.179) 10.096 11.607 ( 11.296 0.000 8.596) 14.195 11.617 ( 9.070 0.000 2.469) 9.400 12.032 ( -9.223 0.000 -2.074) 9.453 12.257 ( -11.847 0.000 -2.676) 12.146 12.270 ( 0.557 0.000 4.319) 4.355 12.448 ( 1.914 0.000 -3.663) 4.133 12.818 ( 10.698 0.000 -7.056) 12.815 12.883 ( 0.958 0.000 -2.188) 2.388 13.057 ( -8.588 0.000 -1.820) 8.779 13.306 ( 0.027 0.000 6.617) 6.617 13.436 ( -5.262 0.000 5.781) 7.817 13.477 ( 0.633 0.000 2.106) 2.199 13.652 ( 0.245 0.000 5.130) 5.136 13.679 ( 7.504 0.000 -4.034) 8.519 14.445 ( 12.802 0.000 10.777) 16.734 14.680 ( -3.328 0.000 0.636) 3.389 14.710 ( 17.354 0.000 -0.099) 17.355 14.901 ( 20.419 0.000 5.833) 21.236 15.109 ( 1.327 0.000 2.754) 3.056 15.360 ( -4.764 0.000 3.211) 5.745 15.905 ( 8.050 0.000 -0.001) 8.050 16.204 ( -0.115 0.000 2.605) 2.608 16.311 ( 9.721 0.000 -3.773) 10.427 16.417 ( 6.183 0.000 -7.566) 9.771 16.641 ( -3.969 0.000 -8.626) 9.496 16.895 ( 0.899 0.000 0.585) 1.073 17.196 ( -3.881 0.000 0.407) 3.903 17.295 ( 3.488 0.000 3.403) 4.873 17.394 ( 0.317 0.000 -1.545) 1.578 17.554 ( 0.740 0.000 -3.254) 3.337 18.030 ( -7.989 0.000 11.076) 13.657 18.119 ( -10.911 0.000 -10.492) 15.137 18.359 ( -5.272 0.000 5.872) 7.892 18.462 ( 8.996 0.000 7.239) 11.547 18.676 ( 3.972 0.000 -1.568) 4.270 19.108 ( -0.112 0.000 0.811) 0.818 19.226 ( 0.957 0.000 0.628) 1.145 19.310 ( -1.286 0.000 -2.379) 2.705 19.322 ( -6.445 0.000 3.629) 7.397 19.343 ( -0.770 0.000 2.806) 2.909 19.502 ( 0.112 0.000 0.901) 0.908 19.613 ( -1.514 0.000 2.042) 2.542 19.778 ( 1.881 0.000 -1.168) 2.214 19.798 ( 0.223 0.000 -0.795) 0.825 19.925 ( 1.829 0.000 -1.515) 2.375 19.987 ( 4.405 0.000 -0.180) 4.408 20.040 ( -0.430 0.000 -8.442) 8.452 20.209 ( -0.758 0.000 -7.576) 7.614 20.589 ( -1.044 0.000 -1.568) 1.884 20.770 ( 3.225 0.000 -14.564) 14.916 21.078 ( 5.846 0.000 3.293) 6.710 21.580 ( -15.767 0.000 -0.510) 15.776 21.835 ( 17.931 0.000 -16.973) 24.690 21.915 ( 1.740 0.000 1.421) 2.246 22.071 ( 2.541 0.000 0.494) 2.589 22.163 ( 13.692 0.000 0.212) 13.694 22.321 ( 0.575 0.000 -6.233) 6.260 22.361 ( -2.814 0.000 2.875) 4.024 22.526 ( 14.319 0.000 14.611) 20.458 23.265 ( 7.801 0.000 -8.348) 11.425 24.758 ( -7.704 0.000 1.749) 7.900 25.009 ( -8.920 0.000 -4.444) 9.966 25.296 ( -1.296 0.000 9.813) 9.899 26.340 ( 2.805 0.000 19.111) 19.316 26.352 ( -3.802 0.000 -3.210) 4.975 26.517 ( 6.142 0.000 13.576) 14.901 26.621 ( -6.955 0.000 0.324) 6.963 26.839 ( -0.833 0.000 -7.549) 7.595 27.179 ( 0.399 0.000 -3.132) 3.157 27.376 ( -6.226 0.000 1.180) 6.337 27.566 ( -5.248 0.000 -15.941) 16.782 27.584 ( -0.791 0.000 11.709) 11.735 27.688 ( 1.163 0.000 -1.877) 2.209 27.860 ( -4.447 0.000 5.970) 7.444 28.449 ( -1.091 0.000 3.744) 3.900 28.626 ( 5.495 0.000 -2.607) 6.082 29.056 ( -4.443 0.000 -11.609) 12.430 29.131 ( -1.889 0.000 -3.765) 4.212 29.536 ( -6.110 0.000 0.258) 6.116 29.670 ( -3.160 0.000 3.397) 4.639 30.350 ( -23.787 0.000 0.604) 23.795 30.405 ( -10.294 0.000 9.125) 13.756 30.746 ( -2.198 0.000 6.252) 6.627 30.988 ( -12.512 0.000 -7.015) 14.344 31.039 ( 7.887 0.000 5.602) 9.674 31.340 ( 12.720 0.000 -0.745) 12.741 32.046 ( 10.700 0.000 -4.183) 11.489 32.101 ( 18.662 0.000 -5.974) 19.594 32.692 ( -9.374 0.000 0.440) 9.384 32.713 ( -7.143 0.000 3.738) 8.062 33.073 ( 5.386 0.000 -4.182) 6.819 33.221 ( 0.285 0.000 -3.234) 3.246 33.661 ( 0.985 0.000 9.598) 9.648 33.914 ( 3.131 0.000 -1.601) 3.516 34.000 ( 0.735 0.000 -6.199) 6.243 34.282 ( 0.424 0.000 -2.376) 2.414 38.134 ( 6.723 0.000 -1.847) 6.972 38.178 ( -1.241 0.000 -3.427) 3.645 38.257 ( -4.010 0.000 -1.566) 4.305 38.326 ( 9.212 0.000 -2.343) 9.505 38.462 ( 0.827 0.000 5.041) 5.108 38.631 ( -1.892 0.000 3.694) 4.151 38.844 ( -0.426 0.000 2.904) 2.935 39.085 ( -0.403 0.000 4.882) 4.899 39.169 ( 0.237 0.000 -2.549) 2.560 39.596 ( 1.784 0.000 3.465) 3.898 39.791 ( 1.214 0.000 5.351) 5.487 39.990 ( -7.486 0.000 -4.334) 8.650 40.084 ( -6.990 0.000 5.237) 8.734 40.465 ( 9.949 0.000 -3.140) 10.432 40.518 ( 0.308 0.000 -3.347) 3.361 40.806 ( 0.749 0.000 4.254) 4.319 40.990 ( 0.033 0.000 -2.798) 2.798 41.274 ( 1.383 0.000 1.647) 2.151 41.350 ( 2.350 0.000 16.737) 16.901 41.583 ( -3.589 0.000 5.509) 6.575 42.133 ( -8.479 0.000 -8.361) 11.908 42.698 ( 6.048 0.000 4.318) 7.431 43.065 ( 0.645 0.000 -20.209) 20.220 43.368 ( -9.166 0.000 -12.040) 15.132 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -27.352 0.000 11.803) 29.789 1.352 ( -31.221 0.000 3.734) 31.444 2.460 ( -14.645 0.000 10.938) 18.279 2.729 ( -7.353 0.000 -6.828) 10.035 2.757 ( -40.034 0.000 -4.719) 40.311 2.942 ( -6.887 0.000 1.064) 6.969 2.996 ( 1.300 0.000 0.651) 1.454 3.082 ( -7.865 0.000 3.812) 8.740 3.176 ( 3.680 0.000 2.083) 4.229 3.454 ( -7.517 0.000 0.133) 7.518 3.531 ( 11.533 0.000 -0.183) 11.535 3.555 ( 5.086 0.000 -0.204) 5.090 3.687 ( 2.381 0.000 -2.739) 3.629 3.937 ( 9.467 0.000 -3.803) 10.202 3.974 ( -2.717 0.000 -6.036) 6.619 4.209 ( 0.221 0.000 1.576) 1.591 4.215 ( -0.604 0.000 3.053) 3.112 4.536 ( -0.373 0.000 -6.928) 6.938 4.588 ( -6.456 0.000 7.535) 9.922 4.719 ( -6.864 0.000 -1.793) 7.094 4.775 ( 0.577 0.000 -0.745) 0.943 4.887 ( -3.388 0.000 -9.443) 10.032 4.939 ( -3.301 0.000 1.100) 3.479 5.089 ( 2.318 0.000 12.388) 12.603 5.263 ( -3.995 0.000 -1.913) 4.429 5.401 ( -5.817 0.000 -1.616) 6.037 5.437 ( -4.435 0.000 -2.091) 4.903 5.526 ( -1.488 0.000 -5.960) 6.143 5.619 ( -4.214 0.000 -0.002) 4.214 5.700 ( -3.321 0.000 -3.564) 4.871 5.825 ( 3.977 0.000 -2.906) 4.925 5.968 ( -9.765 0.000 -6.843) 11.924 6.132 ( 5.426 0.000 -1.588) 5.654 6.347 ( -4.028 0.000 -0.828) 4.113 6.618 ( 14.348 0.000 -1.009) 14.383 6.618 ( 12.918 0.000 10.147) 16.426 6.638 ( -18.686 0.000 -1.730) 18.766 6.713 ( 4.951 0.000 11.589) 12.603 6.922 ( -6.298 0.000 -4.204) 7.573 7.009 ( -3.587 0.000 13.583) 14.049 7.227 ( 3.040 0.000 7.029) 7.658 7.302 ( 3.736 0.000 -10.966) 11.585 7.550 ( -1.938 0.000 6.684) 6.960 7.643 ( 3.557 0.000 -3.296) 4.849 7.712 ( 13.134 0.000 -0.575) 13.147 7.878 ( -9.447 0.000 2.606) 9.800 7.902 ( 11.860 0.000 0.481) 11.870 8.304 ( -8.756 0.000 -6.452) 10.876 8.966 ( -6.494 0.000 0.655) 6.527 9.125 ( -6.956 0.000 3.529) 7.800 9.166 ( -4.274 0.000 -0.572) 4.312 9.442 ( -10.240 0.000 -2.634) 10.573 9.924 ( -8.114 0.000 6.637) 10.482 10.221 ( -3.457 0.000 -6.802) 7.630 10.278 ( -9.205 0.000 -2.291) 9.486 10.339 ( -2.542 0.000 2.703) 3.711 10.604 ( -9.585 0.000 0.224) 9.587 10.767 ( 1.466 0.000 -1.985) 2.468 11.246 ( 3.137 0.000 3.369) 4.603 11.318 ( -4.419 0.000 -4.825) 6.543 11.785 ( 6.393 0.000 -0.532) 6.415 11.804 ( 4.569 0.000 8.786) 9.903 11.913 ( -2.337 0.000 -1.774) 2.934 12.025 ( -9.698 0.000 -1.692) 9.844 12.382 ( 6.966 0.000 2.879) 7.537 12.496 ( 5.000 0.000 -5.913) 7.743 12.782 ( -7.074 0.000 -1.177) 7.171 12.822 ( -6.105 0.000 -1.013) 6.189 13.013 ( 4.832 0.000 -9.781) 10.909 13.235 ( -7.627 0.000 10.462) 12.947 13.398 ( -7.595 0.000 4.648) 8.905 13.479 ( -0.506 0.000 0.039) 0.507 13.608 ( -0.435 0.000 0.825) 0.933 13.971 ( 19.608 0.000 1.683) 19.680 14.588 ( -4.371 0.000 -2.270) 4.925 14.781 ( 14.319 0.000 11.050) 18.087 15.095 ( -5.769 0.000 9.160) 10.825 15.163 ( 24.749 0.000 -3.157) 24.949 15.274 ( -6.565 0.000 5.369) 8.481 15.425 ( 22.101 0.000 9.996) 24.256 16.108 ( 12.130 0.000 -2.647) 12.416 16.243 ( 6.939 0.000 -2.696) 7.444 16.463 ( 4.218 0.000 -5.689) 7.082 16.531 ( -0.335 0.000 -9.055) 9.061 16.557 ( 13.033 0.000 1.667) 13.139 16.966 ( 1.123 0.000 4.596) 4.731 17.074 ( -2.771 0.000 -5.830) 6.455 17.384 ( 3.148 0.000 -0.738) 3.234 17.407 ( 1.169 0.000 2.154) 2.450 17.564 ( 2.153 0.000 -3.085) 3.762 17.828 ( -10.144 0.000 -10.210) 14.393 18.091 ( 9.890 0.000 1.705) 10.036 18.318 ( -3.494 0.000 7.697) 8.453 18.577 ( -1.261 0.000 8.941) 9.029 18.732 ( 0.033 0.000 3.765) 3.765 19.055 ( -11.544 0.000 0.067) 11.544 19.105 ( -0.836 0.000 1.681) 1.877 19.232 ( -1.854 0.000 4.392) 4.767 19.362 ( -0.136 0.000 1.790) 1.795 19.396 ( 5.589 0.000 -2.480) 6.115 19.490 ( -1.643 0.000 0.565) 1.737 19.547 ( -4.467 0.000 -2.795) 5.269 19.795 ( 0.143 0.000 -1.652) 1.658 19.819 ( 1.862 0.000 -1.305) 2.274 19.851 ( -9.540 0.000 -5.437) 10.981 19.989 ( 1.959 0.000 -2.242) 2.977 20.077 ( 3.802 0.000 1.786) 4.201 20.246 ( 5.995 0.000 -6.748) 9.027 20.580 ( -0.118 0.000 1.278) 1.283 20.789 ( 4.489 0.000 -11.202) 12.068 21.178 ( 3.284 0.000 1.205) 3.498 21.298 ( -9.692 0.000 -4.541) 10.703 21.966 ( 1.864 0.000 2.947) 3.487 22.017 ( 5.797 0.000 -12.207) 13.513 22.151 ( 5.782 0.000 -3.208) 6.612 22.286 ( -6.404 0.000 3.672) 7.382 22.457 ( 18.752 0.000 -4.203) 19.217 22.503 ( 20.490 0.000 -1.220) 20.526 22.944 ( 20.498 0.000 11.527) 23.517 23.453 ( 15.151 0.000 -6.531) 16.499 24.588 ( -10.545 0.000 2.104) 10.753 24.746 ( -15.611 0.000 -3.151) 15.926 25.292 ( -4.720 0.000 7.253) 8.653 26.240 ( -7.447 0.000 -1.712) 7.641 26.261 ( -19.500 0.000 15.604) 24.975 26.614 ( -7.118 0.000 1.221) 7.222 26.615 ( 2.123 0.000 10.282) 10.498 26.815 ( 8.285 0.000 0.830) 8.327 27.067 ( -5.449 0.000 -9.230) 10.718 27.279 ( -4.499 0.000 2.719) 5.256 27.404 ( -1.556 0.000 -17.407) 17.476 27.606 ( -0.075 0.000 4.433) 4.434 27.783 ( 0.804 0.000 2.393) 2.524 27.851 ( 4.246 0.000 8.496) 9.498 28.394 ( -6.647 0.000 5.642) 8.719 28.724 ( 5.961 0.000 -7.419) 9.517 28.917 ( -2.217 0.000 -9.897) 10.142 29.065 ( -2.659 0.000 -2.903) 3.937 29.386 ( -8.826 0.000 0.154) 8.828 29.601 ( -5.653 0.000 3.562) 6.682 29.871 ( -23.835 0.000 -0.852) 23.850 30.192 ( -14.315 0.000 10.193) 17.573 30.579 ( -20.682 0.000 -11.171) 23.506 30.712 ( -4.038 0.000 1.579) 4.336 31.344 ( 14.544 0.000 6.019) 15.740 31.602 ( 13.709 0.000 -1.144) 13.756 32.160 ( 1.886 0.000 -1.594) 2.469 32.423 ( 16.356 0.000 -6.370) 17.552 32.529 ( -7.750 0.000 2.966) 8.298 32.595 ( -6.506 0.000 3.627) 7.448 33.188 ( 9.700 0.000 -9.569) 13.625 33.245 ( 3.745 0.000 -1.287) 3.960 33.773 ( 4.670 0.000 9.978) 11.017 33.946 ( 0.275 0.000 2.805) 2.819 33.986 ( 0.962 0.000 -4.372) 4.477 34.266 ( -0.953 0.000 -2.816) 2.973 38.168 ( 2.261 0.000 -3.577) 4.232 38.170 ( -2.417 0.000 -3.877) 4.569 38.287 ( 9.372 0.000 -2.880) 9.804 38.440 ( 3.020 0.000 -2.597) 3.983 38.547 ( 3.299 0.000 12.374) 12.807 38.721 ( 8.069 0.000 9.020) 12.102 38.859 ( 1.032 0.000 0.934) 1.392 39.088 ( -1.690 0.000 3.687) 4.056 39.184 ( 2.759 0.000 -2.547) 3.755 39.572 ( -6.537 0.000 -10.781) 12.609 39.768 ( -12.484 0.000 -4.336) 13.216 39.789 ( -3.791 0.000 5.089) 6.346 39.997 ( -2.722 0.000 12.236) 12.535 40.533 ( 2.924 0.000 -3.174) 4.315 40.718 ( 13.595 0.000 2.733) 13.867 40.901 ( 8.179 0.000 3.279) 8.812 40.965 ( -1.638 0.000 -0.776) 1.813 41.307 ( 1.110 0.000 1.810) 2.123 41.511 ( -6.188 0.000 2.749) 6.771 41.520 ( 5.456 0.000 24.930) 25.520 41.957 ( -4.749 0.000 -6.789) 8.285 42.817 ( 3.962 0.000 3.525) 5.303 42.857 ( -11.898 0.000 -18.111) 21.670 43.081 ( -11.399 0.000 -24.895) 27.380 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -21.360 0.000 27.470) 34.797 0.947 ( -21.046 0.000 33.571) 39.623 1.483 ( -66.894 0.000 3.713) 66.996 2.379 ( -15.828 0.000 11.551) 19.595 2.619 ( -0.524 0.000 -4.866) 4.894 2.752 ( -11.637 0.000 5.342) 12.805 2.972 ( -1.051 0.000 -0.609) 1.214 3.040 ( 2.183 0.000 -1.952) 2.929 3.251 ( 2.747 0.000 0.500) 2.792 3.370 ( 0.176 0.000 -3.822) 3.826 3.580 ( -7.990 0.000 -7.626) 11.045 3.671 ( 4.886 0.000 -1.748) 5.189 3.737 ( 7.102 0.000 -0.903) 7.159 3.860 ( -6.754 0.000 -5.771) 8.884 4.155 ( 14.005 0.000 -5.660) 15.106 4.213 ( -2.470 0.000 -1.020) 2.673 4.276 ( 3.747 0.000 8.276) 9.085 4.365 ( -15.091 0.000 9.853) 18.023 4.487 ( -1.679 0.000 -2.801) 3.266 4.576 ( -8.054 0.000 -9.585) 12.520 4.649 ( -11.458 0.000 -0.851) 11.490 4.737 ( -5.487 0.000 -6.010) 8.138 4.943 ( 1.310 0.000 -1.291) 1.840 5.113 ( -3.681 0.000 5.244) 6.407 5.158 ( -2.627 0.000 8.588) 8.980 5.348 ( -0.152 0.000 7.140) 7.142 5.383 ( 1.994 0.000 -6.165) 6.480 5.496 ( 2.220 0.000 -4.494) 5.012 5.525 ( -1.703 0.000 -1.497) 2.267 5.724 ( -3.196 0.000 -7.506) 8.158 5.781 ( 1.044 0.000 -4.532) 4.650 5.861 ( -2.409 0.000 -13.012) 13.233 6.264 ( -6.742 0.000 -1.443) 6.895 6.274 ( 9.456 0.000 -0.086) 9.456 6.357 ( -4.397 0.000 3.296) 5.495 6.637 ( -4.528 0.000 -2.550) 5.197 6.826 ( 3.793 0.000 4.768) 6.093 6.860 ( -0.679 0.000 8.537) 8.564 7.003 ( -5.016 0.000 14.116) 14.981 7.026 ( 15.045 0.000 -0.416) 15.050 7.325 ( 3.192 0.000 -7.414) 8.072 7.435 ( 12.441 0.000 9.850) 15.869 7.580 ( 1.436 0.000 4.379) 4.609 7.672 ( 5.117 0.000 -6.495) 8.269 7.742 ( -6.840 0.000 3.906) 7.877 7.961 ( 8.672 0.000 3.271) 9.268 8.172 ( -1.929 0.000 -6.088) 6.386 8.220 ( 19.280 0.000 0.222) 19.281 8.861 ( -4.266 0.000 -0.461) 4.291 8.970 ( -10.475 0.000 1.154) 10.538 9.091 ( -3.023 0.000 -0.453) 3.057 9.201 ( -11.436 0.000 -1.914) 11.595 9.751 ( -9.679 0.000 -1.908) 9.865 10.091 ( -6.103 0.000 -1.803) 6.363 10.117 ( -6.666 0.000 0.236) 6.671 10.309 ( -2.015 0.000 -0.223) 2.027 10.442 ( -6.285 0.000 1.431) 6.446 10.798 ( 3.372 0.000 -3.050) 4.546 11.258 ( -0.875 0.000 0.942) 1.286 11.319 ( 1.297 0.000 2.598) 2.904 11.790 ( -5.087 0.000 1.454) 5.291 11.881 ( 0.136 0.000 0.978) 0.988 11.948 ( 3.142 0.000 -3.266) 4.532 11.954 ( 5.499 0.000 11.500) 12.747 12.455 ( 0.511 0.000 -8.772) 8.787 12.568 ( 4.439 0.000 -5.723) 7.243 12.699 ( -3.538 0.000 0.065) 3.538 12.730 ( 1.173 0.000 10.800) 10.863 13.077 ( 6.935 0.000 -9.200) 11.522 13.117 ( -11.470 0.000 6.621) 13.244 13.257 ( -4.427 0.000 5.515) 7.072 13.478 ( 0.530 0.000 -0.066) 0.534 13.657 ( 2.971 0.000 0.026) 2.971 14.297 ( 8.501 0.000 1.753) 8.680 14.556 ( 5.212 0.000 -2.039) 5.597 15.008 ( -7.545 0.000 9.124) 11.839 15.085 ( 10.766 0.000 8.228) 13.550 15.154 ( -9.299 0.000 8.209) 12.404 15.473 ( 4.271 0.000 -2.927) 5.178 15.617 ( -2.483 0.000 11.576) 11.840 16.297 ( 8.199 0.000 -2.038) 8.449 16.434 ( 10.732 0.000 -15.081) 18.509 16.502 ( 3.459 0.000 -5.515) 6.510 16.729 ( 26.643 0.000 -3.935) 26.932 16.799 ( 2.795 0.000 2.875) 4.010 16.898 ( 3.437 0.000 -0.820) 3.533 17.151 ( 4.158 0.000 4.501) 6.127 17.444 ( 4.415 0.000 3.889) 5.884 17.451 ( 0.280 0.000 4.049) 4.059 17.574 ( 0.006 0.000 1.121) 1.121 17.655 ( -3.292 0.000 -6.007) 6.850 18.279 ( -7.289 0.000 7.339) 10.343 18.334 ( 13.591 0.000 -8.302) 15.926 18.592 ( 1.388 0.000 1.845) 2.309 18.721 ( -0.202 0.000 1.553) 1.566 18.870 ( -6.426 0.000 -0.264) 6.431 19.093 ( -1.080 0.000 0.707) 1.291 19.255 ( -4.738 0.000 -2.368) 5.297 19.331 ( -13.210 0.000 -5.963) 14.493 19.338 ( 1.073 0.000 2.154) 2.406 19.458 ( -2.652 0.000 -1.975) 3.307 19.468 ( -1.201 0.000 3.938) 4.117 19.686 ( 0.312 0.000 -6.168) 6.176 19.788 ( -0.171 0.000 -1.102) 1.115 19.821 ( -1.769 0.000 -0.503) 1.839 20.037 ( 2.913 0.000 -1.753) 3.400 20.145 ( 2.184 0.000 2.166) 3.076 20.303 ( 3.114 0.000 -4.242) 5.262 20.591 ( 0.223 0.000 2.162) 2.173 20.776 ( -1.147 0.000 -4.556) 4.698 21.214 ( 3.437 0.000 -6.732) 7.559 21.216 ( 0.428 0.000 -1.504) 1.564 22.005 ( 0.229 0.000 2.057) 2.070 22.023 ( 0.710 0.000 -3.894) 3.958 22.166 ( -6.910 0.000 4.536) 8.266 22.233 ( 6.305 0.000 -8.744) 10.780 22.897 ( 24.722 0.000 -1.949) 24.799 22.909 ( 20.298 0.000 -0.924) 20.319 23.406 ( 19.858 0.000 10.990) 22.696 23.736 ( 14.021 0.000 -1.315) 14.082 24.369 ( -12.628 0.000 0.278) 12.631 24.406 ( -16.195 0.000 -1.531) 16.267 25.176 ( -10.415 0.000 6.369) 12.207 25.894 ( -22.244 0.000 7.105) 23.351 25.994 ( -14.555 0.000 -7.321) 16.293 26.480 ( -1.467 0.000 -4.863) 5.079 26.669 ( -4.274 0.000 16.730) 17.267 26.982 ( 2.914 0.000 -11.793) 12.148 27.011 ( 5.446 0.000 3.578) 6.516 27.143 ( -6.199 0.000 -14.809) 16.054 27.436 ( 7.316 0.000 5.261) 9.011 27.628 ( -0.224 0.000 3.282) 3.289 27.756 ( -2.246 0.000 1.001) 2.459 28.026 ( 5.607 0.000 10.191) 11.632 28.241 ( -9.045 0.000 -3.475) 9.689 28.795 ( 8.576 0.000 0.510) 8.591 28.935 ( 6.761 0.000 -3.558) 7.640 29.002 ( -2.090 0.000 -4.014) 4.525 29.227 ( -6.841 0.000 0.251) 6.845 29.426 ( -12.816 0.000 -6.561) 14.398 29.549 ( -8.048 0.000 9.562) 12.498 29.989 ( -12.685 0.000 4.329) 13.403 30.151 ( -12.880 0.000 -9.226) 15.843 30.592 ( -6.490 0.000 -3.920) 7.582 31.609 ( 8.796 0.000 5.571) 10.412 31.765 ( 1.067 0.000 -9.998) 10.054 32.123 ( -3.899 0.000 6.382) 7.479 32.443 ( -3.441 0.000 6.727) 7.556 32.488 ( -4.709 0.000 5.426) 7.184 32.661 ( 9.235 0.000 -6.193) 11.119 33.315 ( 8.767 0.000 -13.827) 16.372 33.346 ( 6.502 0.000 -0.142) 6.503 33.827 ( -2.975 0.000 0.707) 3.058 34.003 ( 2.243 0.000 -0.223) 2.254 34.094 ( 10.981 0.000 17.702) 20.831 34.217 ( -2.159 0.000 -2.944) 3.651 38.132 ( 0.820 0.000 -2.042) 2.201 38.219 ( 4.025 0.000 -2.503) 4.740 38.462 ( 0.804 0.000 -0.025) 0.804 38.465 ( 9.683 0.000 -0.622) 9.703 38.738 ( 9.479 0.000 14.474) 17.302 38.882 ( 1.085 0.000 3.031) 3.220 38.985 ( 12.515 0.000 5.895) 13.834 39.055 ( -3.013 0.000 1.968) 3.599 39.136 ( -27.150 0.000 -21.486) 34.623 39.246 ( 3.923 0.000 -1.882) 4.351 39.486 ( -13.891 0.000 -2.034) 14.039 39.781 ( -2.238 0.000 10.053) 10.300 40.097 ( 5.133 0.000 12.428) 13.446 40.597 ( 5.064 0.000 -2.163) 5.507 40.920 ( -3.208 0.000 1.769) 3.664 40.945 ( 8.069 0.000 0.832) 8.112 41.141 ( 11.731 0.000 2.388) 11.972 41.332 ( 0.386 0.000 1.865) 1.904 41.383 ( -6.129 0.000 -3.440) 7.029 41.894 ( 0.320 0.000 -1.546) 1.579 41.986 ( 30.552 0.000 35.136) 46.561 42.419 ( -21.032 0.000 -28.814) 35.674 42.610 ( -22.246 0.000 -15.637) 27.192 42.887 ( 1.601 0.000 2.330) 2.827 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 4.528 20.418 21.555) 30.034 1.041 ( 2.791 27.435 20.308) 34.247 1.768 ( 7.999 31.981 29.181) 44.026 1.953 ( 3.037 -19.595 7.705) 21.273 2.568 ( -2.300 -16.647 11.887) 20.584 2.794 ( -5.512 9.423 -5.287) 12.129 2.852 ( -1.291 -1.540 -1.594) 2.565 2.962 ( 1.704 -8.566 -1.721) 8.901 3.149 ( -1.065 -4.569 -3.617) 5.924 3.234 ( 1.089 -10.190 -0.126) 10.249 3.487 ( 1.572 6.276 -5.990) 8.817 3.632 ( -2.453 4.783 -7.859) 9.521 3.723 ( 1.933 -4.147 -1.076) 4.700 3.818 ( 3.690 0.132 -6.280) 7.285 4.047 ( -1.692 -2.880 1.383) 3.615 4.127 ( 1.748 -4.540 0.534) 4.894 4.284 ( -1.924 -0.285 -0.139) 1.950 4.301 ( -4.022 -0.347 2.296) 4.644 4.371 ( -7.057 5.507 0.171) 8.953 4.516 ( -1.579 -0.457 -0.204) 1.657 4.600 ( 0.198 2.061 -4.517) 4.969 4.719 ( 5.527 -3.674 3.317) 7.419 5.000 ( -4.430 -1.049 1.590) 4.822 5.057 ( -3.158 0.097 3.037) 4.382 5.234 ( 4.314 1.046 -3.784) 5.833 5.373 ( 1.502 -2.845 1.474) 3.539 5.409 ( -0.499 0.300 2.097) 2.176 5.492 ( 3.373 -0.794 -1.925) 3.964 5.548 ( 3.257 -0.643 -7.848) 8.521 5.645 ( 3.013 -1.649 -6.327) 7.199 5.802 ( 1.575 7.326 -2.605) 7.933 5.991 ( -2.165 12.207 -9.644) 15.707 6.242 ( 0.789 -0.890 -0.592) 1.329 6.338 ( -1.337 -0.908 -0.902) 1.851 6.471 ( 1.515 3.327 0.567) 3.700 6.611 ( 3.674 3.625 -1.418) 5.352 6.786 ( -3.562 -6.789 10.726) 13.185 6.855 ( -0.829 -3.187 7.840) 8.504 6.979 ( -1.592 3.890 -0.229) 4.209 7.231 ( -0.812 0.239 -4.610) 4.687 7.326 ( -2.636 -0.424 5.511) 6.123 7.463 ( -4.101 1.186 7.641) 8.753 7.576 ( -1.646 -3.936 3.211) 5.340 7.649 ( 3.336 -2.668 4.432) 6.155 7.795 ( 3.314 5.979 -6.921) 9.728 8.010 ( -2.708 -2.440 2.299) 4.310 8.152 ( -0.719 1.493 -4.071) 4.395 8.429 ( 3.175 -7.585 -2.249) 8.525 8.772 ( -2.616 -1.016 -1.586) 3.224 8.818 ( 1.244 -0.791 -0.883) 1.718 9.051 ( -1.621 1.016 -2.418) 3.083 9.070 ( -0.429 -0.097 -2.452) 2.491 9.700 ( -3.175 9.060 -2.584) 9.942 9.999 ( -0.015 -3.159 -2.393) 3.963 10.083 ( -2.213 5.621 -0.352) 6.051 10.264 ( -1.240 -0.168 -2.350) 2.663 10.422 ( 0.754 2.311 3.668) 4.401 10.857 ( 2.312 -4.803 -5.807) 7.882 11.058 ( -1.685 -8.649 6.657) 11.044 11.276 ( 3.137 -5.866 2.728) 7.189 11.743 ( -3.433 1.626 1.044) 3.940 11.903 ( -0.220 -2.387 1.742) 2.964 11.996 ( -0.972 -0.141 -0.608) 1.155 12.020 ( 1.228 0.025 -0.290) 1.262 12.449 ( -0.585 2.924 -5.122) 5.927 12.565 ( -1.906 -0.497 -2.847) 3.462 12.756 ( 6.392 1.497 1.061) 6.651 12.851 ( -1.401 -1.555 8.794) 9.040 12.897 ( 0.192 1.862 2.190) 2.881 13.179 ( 1.751 -5.395 4.270) 7.100 13.298 ( 4.735 3.877 2.917) 6.779 13.527 ( 2.180 -5.340 2.240) 6.188 13.672 ( 0.714 9.426 -1.669) 9.599 14.252 ( -2.039 -5.191 -5.531) 7.855 14.766 ( 3.652 2.603 -0.873) 4.569 14.836 ( -6.792 -4.015 1.498) 8.031 14.971 ( -9.555 -0.482 11.941) 15.300 15.171 ( -8.569 0.295 1.414) 8.690 15.473 ( -0.604 4.348 3.784) 5.796 15.666 ( 2.697 -3.454 7.293) 8.508 16.392 ( -1.725 2.767 -1.585) 3.625 16.438 ( 2.529 -1.451 -2.918) 4.125 16.609 ( 1.323 0.621 -8.816) 8.936 16.802 ( 5.210 5.380 -3.555) 8.290 16.935 ( 1.676 -8.796 0.046) 8.954 17.037 ( 7.975 -3.042 4.806) 9.795 17.242 ( 7.070 -1.215 0.125) 7.175 17.360 ( 0.663 -7.513 4.543) 8.805 17.456 ( -6.146 3.836 1.671) 7.435 17.625 ( 0.575 -2.304 5.641) 6.120 17.907 ( -1.516 10.719 -1.382) 10.913 18.159 ( -2.647 8.963 6.212) 11.222 18.351 ( 2.108 -6.033 -8.082) 10.303 18.618 ( -4.580 0.861 -1.174) 4.806 18.645 ( 3.251 -6.144 -3.227) 7.664 18.768 ( -4.654 -1.845 -4.320) 6.613 18.894 ( -9.321 2.350 -1.179) 9.685 19.097 ( -0.538 -0.224 -1.670) 1.768 19.200 ( 0.637 3.726 -3.583) 5.209 19.400 ( 4.739 -4.842 2.913) 7.375 19.422 ( -0.046 0.085 1.359) 1.362 19.452 ( -1.320 -0.333 2.131) 2.529 19.678 ( 0.753 -1.330 -1.205) 1.946 19.740 ( 1.873 -3.330 0.628) 3.872 19.825 ( -0.383 3.841 -6.650) 7.689 20.017 ( 0.230 -2.804 -3.283) 4.323 20.217 ( -0.143 2.011 1.109) 2.301 20.315 ( 1.289 -2.425 -0.199) 2.754 20.645 ( -0.085 3.005 1.854) 3.532 20.746 ( 0.897 -0.929 -1.445) 1.938 21.164 ( -3.933 2.938 -6.400) 8.066 21.298 ( 2.489 -1.145 -6.882) 7.407 21.977 ( -2.215 0.616 1.699) 2.859 22.028 ( 0.146 -0.815 1.695) 1.886 22.159 ( 0.326 3.450 -0.673) 3.530 22.284 ( 3.715 -1.466 -5.931) 7.150 23.201 ( 4.072 3.128 -0.493) 5.158 23.291 ( 8.580 1.332 -0.660) 8.708 23.702 ( 0.466 -1.261 15.099) 15.158 23.837 ( 1.861 -7.202 8.019) 10.938 24.181 ( -2.059 0.193 -2.951) 3.604 24.234 ( 0.615 -0.280 -3.915) 3.973 25.292 ( -6.873 15.123 0.828) 16.632 25.706 ( -6.506 1.470 -12.783) 14.419 25.865 ( -4.450 11.483 -5.311) 13.411 26.362 ( -1.825 -11.351 2.028) 11.674 26.649 ( 0.059 4.063 4.007) 5.707 26.939 ( 1.144 -1.981 -0.444) 2.331 26.979 ( -1.239 -0.877 -10.732) 10.838 27.004 ( -4.982 -1.032 -4.042) 6.498 27.536 ( -2.889 2.372 0.848) 3.833 27.677 ( -2.310 1.246 -5.979) 6.530 27.833 ( 2.928 7.743 3.612) 9.032 28.076 ( -2.011 -0.070 0.272) 2.030 28.256 ( 0.234 5.286 2.574) 5.885 28.753 ( -4.516 -11.921 -9.632) 15.978 29.035 ( 7.060 1.543 -1.721) 7.429 29.127 ( 8.452 2.426 -5.145) 10.188 29.153 ( -0.592 -0.392 0.319) 0.778 29.255 ( 5.240 -5.468 -2.047) 7.845 29.531 ( 0.116 1.208 2.192) 2.505 29.685 ( -6.437 -5.275 5.601) 10.032 30.097 ( 3.687 3.169 -3.444) 5.958 30.394 ( 9.092 -13.770 14.131) 21.725 31.540 ( -8.159 2.045 3.028) 8.940 31.724 ( -3.102 -4.273 -2.098) 5.682 32.287 ( -3.242 11.645 2.306) 12.306 32.462 ( 2.211 0.037 8.188) 8.482 32.480 ( 2.248 -0.246 6.957) 7.315 32.686 ( -1.961 -4.543 -3.610) 6.125 33.385 ( 7.226 2.015 -5.653) 9.393 33.488 ( 8.571 -0.080 -6.055) 10.494 33.826 ( -6.590 3.422 8.028) 10.936 34.006 ( -7.558 -4.659 2.553) 9.238 34.137 ( 5.800 1.677 2.381) 6.490 34.307 ( 4.822 -2.292 3.188) 6.219 38.185 ( 0.790 0.624 1.959) 2.202 38.243 ( -0.678 -1.800 0.412) 1.967 38.372 ( -8.175 -0.161 0.053) 8.177 38.465 ( 0.855 -2.302 -1.062) 2.676 38.692 ( 3.884 3.107 2.949) 5.782 38.798 ( 4.500 -5.262 4.016) 8.005 38.896 ( -5.942 -0.772 1.571) 6.194 39.064 ( 5.431 -9.222 2.393) 10.966 39.300 ( -2.423 6.693 0.432) 7.131 39.436 ( 4.106 6.245 -3.758) 8.366 39.526 ( 2.747 13.363 -3.480) 14.079 39.792 ( -1.451 0.963 8.840) 9.010 40.237 ( 0.179 0.462 0.709) 0.864 40.528 ( -1.108 -11.968 5.177) 13.087 40.869 ( -3.284 2.800 0.911) 4.411 40.909 ( -6.260 1.941 -3.996) 7.676 41.127 ( 2.434 -6.986 -1.535) 7.556 41.167 ( 0.486 -6.672 -0.188) 6.692 41.414 ( -2.907 3.524 5.282) 6.983 41.542 ( -8.179 -4.068 7.932) 12.098 42.148 ( 3.878 3.389 -5.971) 7.885 42.174 ( -12.398 4.367 -8.503) 15.655 42.921 ( 2.152 2.391 -0.600) 3.272 43.170 ( 30.360 -10.751 -0.109) 32.208 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 15.207 11.444 27.323) 33.298 1.586 ( 26.517 13.729 18.140) 34.938 2.088 ( 12.165 -6.599 10.303) 17.254 2.397 ( 23.973 -2.518 12.458) 27.134 2.566 ( 9.640 -6.090 0.326) 11.407 2.822 ( 5.069 3.219 -3.663) 7.033 2.940 ( 11.436 4.215 9.678) 15.563 2.991 ( 2.480 -4.353 -1.353) 5.190 3.144 ( 5.134 -4.807 -6.236) 9.400 3.311 ( 4.660 -3.659 3.353) 6.808 3.496 ( -0.847 6.978 -1.503) 7.188 3.631 ( 4.174 5.672 -10.907) 12.983 3.767 ( 2.864 1.313 -0.772) 3.244 3.890 ( 8.731 1.902 -4.649) 10.072 3.974 ( -4.586 -0.244 0.642) 4.637 4.150 ( -4.155 -7.026 4.188) 9.174 4.221 ( 2.567 -0.613 -3.642) 4.498 4.285 ( 2.897 0.027 -2.022) 3.533 4.373 ( 3.408 2.221 -0.184) 4.072 4.508 ( 2.664 -1.420 -4.340) 5.287 4.645 ( 5.290 -0.449 0.072) 5.309 4.766 ( -3.390 -3.228 0.610) 4.721 4.935 ( -1.596 -1.258 -0.311) 2.056 5.042 ( 0.416 -1.271 -0.689) 1.504 5.268 ( -0.091 -4.067 -2.946) 5.022 5.384 ( -0.474 0.727 4.403) 4.487 5.427 ( 1.163 1.049 1.909) 2.469 5.563 ( 4.995 -3.000 -1.469) 6.009 5.627 ( 4.522 2.211 -4.576) 6.803 5.667 ( 3.250 -0.070 -4.059) 5.200 5.823 ( 2.285 5.061 -3.801) 6.729 5.943 ( 2.142 11.380 -5.002) 12.614 6.228 ( -1.702 -2.715 -3.855) 5.013 6.281 ( -2.636 -0.907 -3.576) 4.534 6.404 ( -5.910 3.534 -1.743) 7.104 6.643 ( -5.381 -5.736 0.724) 7.898 6.733 ( -5.695 1.626 9.043) 10.810 6.860 ( -1.067 1.086 5.961) 6.153 6.966 ( 1.119 0.770 0.833) 1.593 7.196 ( -6.132 -4.956 2.603) 8.303 7.224 ( -2.711 5.885 5.054) 8.218 7.384 ( -4.607 2.514 9.092) 10.497 7.616 ( 2.985 -0.851 -1.626) 3.504 7.700 ( -0.907 -1.014 0.491) 1.446 7.770 ( -1.580 5.780 -5.155) 7.904 7.888 ( -9.378 0.548 -0.038) 9.394 8.121 ( 1.323 -3.369 -2.437) 4.363 8.297 ( -9.582 -6.299 -0.333) 11.472 8.839 ( 6.797 -1.009 -0.849) 6.924 8.901 ( 4.274 -0.676 -1.443) 4.562 9.040 ( 1.987 0.278 -2.606) 3.289 9.152 ( 9.896 -5.257 -2.980) 11.595 9.714 ( 4.406 10.385 1.997) 11.456 10.049 ( 6.395 -3.361 -2.059) 7.512 10.105 ( 4.376 4.539 -1.523) 6.487 10.263 ( 3.038 0.898 -4.476) 5.484 10.514 ( 6.317 0.450 2.823) 6.933 10.851 ( 1.526 -6.938 -7.980) 10.684 11.081 ( -0.511 -3.680 7.702) 8.551 11.359 ( 3.735 -5.643 2.849) 7.343 11.694 ( -2.773 -0.279 1.101) 2.996 11.819 ( -8.589 -3.240 -1.559) 9.312 11.970 ( 1.268 3.262 0.301) 3.512 12.063 ( 2.276 -0.527 1.721) 2.902 12.419 ( -1.266 2.615 -0.534) 2.954 12.538 ( 0.188 -1.441 -3.175) 3.492 12.823 ( 1.528 -0.972 -3.383) 3.837 12.849 ( 0.659 -1.926 3.833) 4.340 13.010 ( 5.518 3.257 10.404) 12.219 13.264 ( 3.966 -4.031 3.040) 6.420 13.436 ( 5.974 4.808 8.135) 11.180 13.548 ( -1.742 3.663 0.855) 4.145 13.687 ( 0.672 3.778 0.739) 3.908 14.146 ( -4.557 -2.245 -7.027) 8.671 14.609 ( -13.557 -1.506 -7.154) 15.402 14.775 ( -8.692 3.605 5.211) 10.756 14.864 ( -4.322 -2.807 4.415) 6.786 14.996 ( -3.506 -6.457 1.789) 7.562 15.495 ( -1.923 5.530 3.090) 6.620 15.742 ( -2.356 -4.280 9.398) 10.592 16.316 ( -4.592 3.025 -2.311) 5.964 16.438 ( -1.398 1.097 -3.458) 3.888 16.591 ( -2.426 -0.799 -4.213) 4.927 16.745 ( -8.651 -4.056 0.164) 9.556 16.907 ( -12.128 1.750 2.953) 12.605 17.041 ( -6.449 -1.086 3.228) 7.294 17.220 ( -6.915 4.370 3.994) 9.102 17.275 ( 2.605 7.317 -2.499) 8.159 17.469 ( -0.783 -4.322 2.485) 5.047 17.718 ( 8.383 -10.661 7.391) 15.446 17.864 ( 3.661 3.011 -9.165) 10.318 18.207 ( -6.532 4.581 4.834) 9.329 18.294 ( -3.295 -7.566 -5.761) 10.065 18.480 ( -1.172 5.653 1.532) 5.973 18.609 ( -8.718 -3.165 -1.482) 9.392 18.713 ( 5.628 -3.714 -3.555) 7.623 18.840 ( 4.320 7.535 -3.772) 9.469 19.152 ( 4.599 2.615 0.161) 5.293 19.267 ( 3.321 -0.301 -3.824) 5.074 19.395 ( -1.771 1.039 -0.500) 2.113 19.487 ( 4.971 1.867 -1.180) 5.440 19.538 ( 4.962 -6.574 4.289) 9.286 19.679 ( 0.294 2.026 -1.233) 2.390 19.780 ( 2.278 -3.500 1.098) 4.317 19.809 ( 2.763 2.885 -7.068) 8.119 19.986 ( -1.606 -1.893 -2.410) 3.460 20.197 ( -1.955 -0.440 -0.455) 2.055 20.303 ( -2.822 -5.236 -1.149) 6.058 20.654 ( 0.553 3.802 1.574) 4.152 20.808 ( 6.410 -2.271 -1.145) 6.897 21.043 ( -3.072 5.990 -9.173) 11.378 21.287 ( -0.343 -4.564 -2.780) 5.355 21.945 ( -1.879 2.894 1.217) 3.659 22.034 ( -0.256 -0.434 0.667) 0.836 22.158 ( -0.109 2.521 0.171) 2.529 22.298 ( 0.058 -2.103 -3.386) 3.986 23.032 ( -17.607 4.703 1.346) 18.274 23.142 ( -19.788 1.189 -1.480) 19.879 23.564 ( -20.021 -0.053 15.627) 25.398 23.777 ( -11.067 -9.731 5.293) 15.658 24.370 ( 15.776 0.351 0.660) 15.794 24.428 ( 17.517 -0.958 -2.053) 17.663 25.272 ( 5.184 12.910 -1.980) 14.052 25.570 ( -1.017 4.782 -5.872) 7.640 25.867 ( 8.258 7.527 -7.994) 13.739 26.339 ( -0.945 -12.432 -0.987) 12.507 26.672 ( 1.389 2.942 -0.073) 3.255 26.870 ( -1.079 1.524 -7.996) 8.211 26.971 ( 2.414 -0.221 -1.958) 3.116 27.046 ( 5.614 0.124 5.632) 7.953 27.506 ( -0.109 -3.731 1.466) 4.011 27.605 ( -2.471 -3.690 -1.999) 4.870 27.895 ( 1.662 9.044 2.981) 9.667 28.059 ( -0.958 -1.371 3.245) 3.651 28.267 ( -1.549 5.286 3.972) 6.791 28.666 ( 0.141 -11.358 -7.634) 13.685 29.045 ( 0.041 5.378 -5.594) 7.760 29.193 ( 2.762 -2.343 -0.061) 3.622 29.292 ( 4.913 2.212 -0.862) 5.456 29.352 ( 12.327 -0.732 -7.630) 14.516 29.623 ( 9.306 0.480 2.270) 9.591 29.706 ( 5.462 -1.898 2.704) 6.383 30.260 ( 14.445 3.950 -6.797) 16.445 30.730 ( 11.538 -17.872 9.152) 23.158 31.410 ( -5.143 0.643 0.485) 5.205 31.633 ( -5.234 -6.293 -1.383) 8.301 32.138 ( -12.152 11.760 2.144) 17.046 32.501 ( -7.211 -3.939 -3.245) 8.835 32.595 ( 5.031 0.033 5.860) 7.723 32.638 ( 3.754 -0.502 7.242) 8.173 33.439 ( -0.066 2.300 -2.604) 3.475 33.593 ( 3.833 3.504 -1.993) 5.562 33.721 ( -8.487 -3.550 7.824) 12.077 33.866 ( -7.240 -4.905 2.221) 9.023 34.239 ( 1.733 4.701 1.147) 5.139 34.326 ( -0.290 3.442 -2.126) 4.056 38.080 ( -6.264 1.045 -0.567) 6.376 38.179 ( -5.144 -2.509 -0.741) 5.771 38.356 ( 2.021 2.426 1.079) 3.337 38.492 ( 1.857 -1.840 -1.643) 3.088 38.708 ( -2.868 0.489 3.737) 4.736 38.800 ( -4.828 -1.578 6.646) 8.365 38.950 ( 4.922 -2.320 2.673) 6.062 39.119 ( -2.148 -4.677 2.628) 5.779 39.264 ( -1.112 7.324 1.104) 7.490 39.521 ( 1.832 8.866 -7.695) 11.882 39.555 ( 5.001 -3.086 2.411) 6.352 39.804 ( -2.332 1.113 1.940) 3.231 40.143 ( -4.428 6.839 5.137) 9.632 40.582 ( 4.043 -9.108 4.167) 10.800 40.813 ( -3.685 1.874 -0.733) 4.199 40.873 ( 2.891 2.895 0.211) 4.097 41.040 ( -8.768 -5.570 -6.791) 12.411 41.160 ( -1.787 -4.927 4.568) 6.952 41.356 ( -8.789 1.690 2.569) 9.311 41.387 ( -1.960 0.042 5.073) 5.439 42.083 ( 2.293 4.080 -0.513) 4.708 42.298 ( 11.561 -3.735 -7.675) 14.370 42.959 ( 3.322 9.294 -2.696) 10.232 43.574 ( 11.749 -18.692 -5.138) 22.668 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 16.407 4.450 22.766) 28.412 2.084 ( 18.130 9.496 13.845) 24.710 2.320 ( 8.173 -12.248 4.104) 15.286 2.623 ( 9.572 -17.613 0.851) 20.064 2.903 ( 6.105 5.952 -6.943) 10.995 2.947 ( 9.552 3.543 0.824) 10.221 2.982 ( 2.481 0.681 -1.375) 2.918 3.222 ( 5.038 -3.471 -2.271) 6.526 3.303 ( 4.414 8.142 3.240) 9.812 3.433 ( 3.840 -0.052 2.452) 4.556 3.490 ( 6.541 7.242 2.321) 10.031 3.588 ( -2.203 1.200 -6.809) 7.257 3.800 ( -1.419 3.059 -2.574) 4.242 3.896 ( -5.499 -0.493 3.529) 6.553 3.978 ( -0.675 1.260 3.052) 3.370 4.102 ( -1.184 -3.672 0.273) 3.868 4.273 ( 3.121 -3.538 -3.537) 5.896 4.391 ( 6.748 -1.016 -3.459) 7.651 4.474 ( 5.108 4.958 -1.608) 7.298 4.625 ( 9.937 -1.343 -6.144) 11.760 4.744 ( 8.528 0.838 -2.058) 8.812 4.798 ( 10.069 -1.173 5.162) 11.376 4.906 ( -1.445 -1.266 -3.748) 4.212 5.066 ( 3.823 -4.358 0.330) 5.806 5.210 ( -3.182 -2.282 2.397) 4.591 5.400 ( -3.643 -3.352 -3.361) 5.984 5.463 ( 3.246 2.295 6.407) 7.540 5.573 ( -4.420 1.421 1.138) 4.780 5.671 ( 5.108 -1.683 -4.476) 6.997 5.780 ( 8.927 1.291 -4.936) 10.282 5.840 ( 2.413 8.655 -3.405) 9.608 6.020 ( 6.637 5.982 -5.410) 10.445 6.148 ( -0.904 -2.232 -9.168) 9.479 6.247 ( -0.118 -1.735 4.104) 4.457 6.265 ( -6.733 3.662 -2.521) 8.069 6.484 ( -9.170 -7.402 -0.132) 11.786 6.636 ( -7.959 2.939 5.653) 10.196 6.870 ( -0.562 0.375 4.502) 4.552 7.006 ( -0.125 0.729 3.094) 3.182 7.099 ( -2.343 -3.445 6.918) 8.076 7.277 ( 0.934 0.172 3.112) 3.254 7.392 ( 0.214 1.919 7.311) 7.561 7.593 ( -6.585 5.148 -5.519) 10.016 7.637 ( -2.641 -0.509 -1.977) 3.339 7.695 ( -2.835 2.609 1.885) 4.289 7.826 ( 6.583 3.530 -3.386) 8.201 8.137 ( -6.338 -5.752 3.519) 9.254 8.224 ( 10.556 -6.454 -2.574) 12.638 8.953 ( 4.296 0.535 0.182) 4.333 9.015 ( 9.395 0.704 -0.714) 9.448 9.089 ( 4.041 -1.709 -1.680) 4.698 9.340 ( 9.782 -7.615 -3.325) 12.835 9.858 ( 7.533 11.575 4.869) 14.644 10.188 ( 7.088 0.361 -1.291) 7.214 10.232 ( 9.895 0.050 -0.602) 9.913 10.326 ( 5.659 1.277 -4.448) 7.310 10.655 ( 6.552 -1.865 -0.970) 6.881 10.856 ( 3.302 -4.818 -7.737) 9.694 11.099 ( -1.872 -1.320 6.573) 6.961 11.437 ( 3.176 -6.274 -0.607) 7.058 11.611 ( -8.886 0.492 -1.409) 9.011 11.634 ( -6.534 0.726 0.589) 6.600 12.026 ( 3.969 0.360 1.137) 4.144 12.141 ( 4.818 -2.563 3.802) 6.651 12.396 ( -1.663 2.817 3.248) 4.610 12.513 ( -1.782 -2.520 -2.505) 3.975 12.855 ( 3.469 -0.819 -5.851) 6.851 12.878 ( 1.333 -3.176 1.950) 3.958 13.178 ( 4.273 2.773 11.335) 12.428 13.343 ( 3.270 0.119 -1.609) 3.646 13.418 ( -10.841 6.467 -1.086) 12.670 13.568 ( -0.795 1.743 10.536) 10.709 13.691 ( -0.678 2.156 3.577) 4.232 14.036 ( -4.142 -4.602 -2.946) 6.857 14.290 ( -13.157 6.014 -4.689) 15.208 14.639 ( -3.724 5.874 -0.820) 7.004 14.813 ( -0.155 -0.775 -2.604) 2.722 15.011 ( -0.191 -15.740 3.112) 16.045 15.383 ( -12.775 4.171 6.300) 14.842 15.538 ( -25.191 -2.850 11.199) 27.715 16.155 ( -11.489 5.897 -2.618) 13.177 16.348 ( -9.309 1.214 0.845) 9.426 16.388 ( -3.266 0.927 -5.794) 6.716 16.525 ( -9.883 -6.997 -1.370) 12.187 16.773 ( -2.370 3.620 -0.223) 4.333 17.018 ( 3.647 -6.082 -1.088) 7.175 17.202 ( -1.129 6.153 9.438) 11.323 17.318 ( -2.523 3.162 -3.599) 5.414 17.501 ( 6.855 4.250 0.561) 8.085 17.767 ( -12.100 2.088 3.476) 12.761 17.963 ( 6.570 -2.985 -4.052) 8.276 18.061 ( 3.099 -2.153 -0.639) 3.827 18.165 ( -10.191 -11.783 4.671) 16.264 18.421 ( -0.127 -5.302 -6.068) 8.059 18.659 ( 7.876 8.414 5.773) 12.891 18.857 ( 9.980 -3.399 -2.286) 10.788 18.933 ( 5.704 6.537 -4.404) 9.729 19.236 ( -0.502 -3.776 -0.886) 3.910 19.258 ( 3.030 6.366 -0.671) 7.082 19.348 ( -2.251 2.212 -1.533) 3.509 19.575 ( 2.531 0.586 -1.008) 2.787 19.599 ( 0.983 3.138 -0.577) 3.338 19.684 ( 0.628 -1.472 0.582) 1.703 19.826 ( 1.983 2.393 -1.718) 3.551 19.862 ( 3.808 -0.326 -4.994) 6.288 19.958 ( 1.244 -5.760 -0.238) 5.898 20.131 ( -4.312 -2.278 -1.731) 5.175 20.216 ( -3.517 -8.674 -2.745) 9.754 20.713 ( 5.287 6.596 0.734) 8.486 20.927 ( 0.350 3.536 -7.166) 7.999 20.999 ( 8.006 -0.188 -3.635) 8.795 21.246 ( -2.587 -7.048 -2.828) 8.023 21.914 ( -1.779 3.857 0.380) 4.264 22.018 ( -2.029 -0.114 0.259) 2.049 22.144 ( -2.123 0.369 -0.385) 2.189 22.245 ( -4.605 -2.962 -0.932) 5.555 22.677 ( -17.262 3.963 2.224) 17.850 22.698 ( -21.736 2.073 -1.813) 21.909 23.180 ( -24.185 3.479 10.542) 26.611 23.527 ( -14.281 -8.876 0.141) 16.815 24.648 ( 10.966 2.948 2.978) 11.740 24.771 ( 16.867 -2.221 -2.057) 17.137 25.385 ( 2.933 7.941 5.494) 10.092 25.622 ( 7.307 0.532 -1.046) 7.401 26.028 ( 10.127 4.760 -3.331) 11.675 26.341 ( 3.232 -10.487 -4.912) 12.023 26.701 ( 1.838 1.784 -0.267) 2.576 26.846 ( 2.383 0.555 -6.598) 7.037 26.990 ( 0.150 4.858 -1.094) 4.982 27.246 ( 10.618 -0.293 4.475) 11.526 27.521 ( -2.528 -4.717 6.862) 8.702 27.577 ( 2.262 -7.767 -3.615) 8.860 27.935 ( 0.682 7.189 3.441) 7.999 28.064 ( -1.359 -0.528 6.097) 6.268 28.245 ( -1.408 7.532 1.298) 7.771 28.649 ( 0.946 -9.556 -5.876) 11.258 29.030 ( 2.632 5.578 -7.680) 9.850 29.211 ( 1.049 -2.799 -4.198) 5.153 29.423 ( 8.314 2.253 -0.663) 8.639 29.524 ( 7.190 -1.552 -1.477) 7.502 29.894 ( 12.077 0.827 1.878) 12.250 29.942 ( 20.224 -0.997 1.873) 20.335 30.548 ( 18.382 5.481 -8.048) 20.802 30.887 ( 0.132 -4.971 13.047) 13.963 31.332 ( -4.745 -4.697 2.252) 7.046 31.535 ( -0.985 -7.802 -8.489) 11.572 31.876 ( -15.250 10.020 1.893) 18.345 32.243 ( -14.048 -5.255 -7.060) 16.577 32.736 ( 5.340 0.260 6.572) 8.472 32.780 ( 4.365 -0.161 8.094) 9.198 33.361 ( -6.602 1.623 -0.641) 6.829 33.504 ( -11.873 2.704 5.913) 13.537 33.690 ( 2.730 -4.370 -2.948) 5.937 33.767 ( -3.684 -2.399 1.065) 4.523 34.197 ( -2.884 8.254 -4.330) 9.757 34.330 ( -0.462 0.363 0.378) 0.699 38.002 ( -1.277 -0.248 -2.505) 2.823 38.082 ( -3.058 -2.698 -2.392) 4.728 38.385 ( -0.541 2.360 2.760) 3.671 38.486 ( -1.992 1.061 -1.859) 2.925 38.648 ( -4.824 -1.220 3.088) 5.857 38.761 ( -2.947 -2.734 7.345) 8.373 38.999 ( -6.213 1.643 7.588) 9.944 39.033 ( -1.028 3.822 -1.211) 4.139 39.263 ( -0.793 0.406 3.137) 3.261 39.499 ( -0.726 0.222 -3.540) 3.620 39.666 ( 1.688 -1.058 0.951) 2.208 39.719 ( 0.213 -5.445 -3.546) 6.502 40.229 ( 6.391 13.107 7.817) 16.545 40.679 ( 2.194 -4.907 4.228) 6.839 40.729 ( -4.612 0.495 -2.587) 5.311 40.786 ( -8.352 -2.187 -6.936) 11.075 40.966 ( 3.445 3.010 1.272) 4.749 41.147 ( -1.587 -3.104 3.741) 5.114 41.258 ( -3.288 3.762 4.200) 6.527 41.427 ( 2.478 -3.308 4.333) 5.988 42.165 ( 5.139 0.210 1.357) 5.319 42.417 ( 3.888 -11.282 -7.429) 14.056 43.038 ( 7.634 15.563 -7.921) 19.059 43.662 ( 2.097 -11.947 -5.554) 13.340 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 13.538 2.183 14.280) 19.798 2.415 ( 7.301 -1.494 5.785) 9.434 2.487 ( 9.093 -2.246 0.959) 9.415 2.710 ( -0.747 -8.117 -0.924) 8.204 2.938 ( 3.342 1.991 -5.398) 6.654 3.047 ( 2.203 1.536 -2.421) 3.616 3.137 ( 2.706 -0.489 1.175) 2.990 3.221 ( -3.937 2.385 -0.030) 4.603 3.281 ( 4.499 -1.120 -2.894) 5.465 3.427 ( -1.745 1.175 -1.066) 2.358 3.498 ( -2.501 0.544 -3.356) 4.221 3.568 ( -1.502 8.929 -1.793) 9.231 3.735 ( -8.072 -2.550 5.279) 9.977 3.810 ( 1.128 7.316 2.031) 7.676 3.954 ( -5.567 4.560 4.584) 8.532 4.099 ( 1.163 -5.509 3.193) 6.473 4.315 ( 3.463 -4.455 -3.377) 6.576 4.449 ( 1.071 -1.787 -3.693) 4.240 4.548 ( 4.497 5.109 -2.547) 7.267 4.657 ( -1.217 1.717 -4.750) 5.196 4.868 ( 1.974 -5.839 -2.595) 6.687 4.939 ( 0.921 -0.341 5.486) 5.574 5.018 ( 7.881 -1.979 -0.875) 8.173 5.140 ( 4.908 2.244 -4.256) 6.873 5.200 ( -5.885 -3.136 4.119) 7.838 5.383 ( 7.441 1.424 0.102) 7.577 5.432 ( -6.436 -6.763 3.823) 10.089 5.636 ( 8.976 -2.017 1.079) 9.263 5.740 ( 4.231 -0.688 -8.763) 9.755 5.808 ( -0.499 6.188 -6.947) 9.317 5.971 ( 9.970 6.886 -0.280) 12.120 6.093 ( 3.117 3.790 -5.196) 7.147 6.114 ( -1.300 2.116 -3.666) 4.428 6.141 ( -2.989 2.565 -3.144) 5.040 6.314 ( -4.596 -5.832 2.212) 7.747 6.373 ( 3.466 -4.556 6.079) 8.350 6.547 ( 1.584 4.936 1.436) 5.380 6.883 ( -0.706 -1.194 5.056) 5.243 7.039 ( 2.328 -1.098 2.733) 3.754 7.099 ( -3.033 -2.605 3.988) 5.647 7.215 ( -6.145 2.096 0.193) 6.496 7.404 ( -4.418 5.127 4.511) 8.133 7.502 ( 0.651 0.046 0.822) 1.050 7.576 ( -4.432 0.566 1.444) 4.695 7.666 ( 0.425 2.095 -0.741) 2.262 7.926 ( -2.739 -8.324 4.273) 9.749 8.175 ( 11.208 5.703 -2.432) 12.809 8.466 ( 12.945 -5.951 -2.425) 14.452 9.053 ( 5.816 0.554 -0.206) 5.846 9.172 ( 5.768 -3.632 -3.062) 7.472 9.200 ( 8.125 3.759 1.606) 9.095 9.478 ( 6.183 -6.515 -3.292) 9.566 10.022 ( 6.009 10.530 3.962) 12.755 10.309 ( 5.230 0.470 -0.657) 5.292 10.397 ( 6.159 1.237 -0.547) 6.306 10.481 ( 11.726 -1.074 0.530) 11.787 10.730 ( 2.477 -2.696 -5.399) 6.524 10.857 ( -1.188 -6.135 -6.213) 8.812 11.078 ( -2.398 3.077 3.991) 5.581 11.403 ( -6.643 1.543 -1.834) 7.062 11.471 ( -2.692 -2.695 -1.160) 3.981 11.545 ( -2.694 -1.953 3.375) 4.739 12.134 ( 5.835 -2.664 1.526) 6.594 12.281 ( 6.589 -2.810 1.962) 7.427 12.405 ( 1.054 -0.242 4.463) 4.593 12.445 ( -2.877 -1.797 -2.244) 4.067 12.831 ( -11.424 -1.089 -2.225) 11.689 12.868 ( -0.870 -1.398 -3.914) 4.246 13.165 ( -1.267 7.464 -3.637) 8.399 13.306 ( -1.583 -0.089 8.524) 8.670 13.380 ( -0.872 -1.418 -2.517) 3.018 13.460 ( -8.709 -2.875 4.414) 10.179 13.712 ( -1.444 3.720 6.138) 7.321 13.987 ( 1.056 -6.823 2.885) 7.483 14.106 ( -6.459 18.758 1.567) 19.900 14.645 ( 4.855 5.769 -3.249) 8.210 14.861 ( 6.672 -2.548 -6.562) 9.698 14.878 ( -16.910 -3.540 3.640) 17.656 15.031 ( -25.613 -2.174 14.084) 29.310 15.212 ( -5.383 -12.065 3.633) 13.702 15.969 ( -4.581 8.758 -1.543) 10.004 16.255 ( -2.644 2.210 1.618) 3.807 16.318 ( -3.614 -2.212 -5.906) 7.268 16.381 ( -1.695 -2.947 -7.176) 7.941 16.746 ( -0.131 2.759 -2.855) 3.972 17.017 ( -4.207 -3.060 0.845) 5.271 17.209 ( -6.916 -1.713 3.824) 8.086 17.226 ( -1.058 -3.790 3.287) 5.127 17.517 ( -8.847 5.201 7.231) 12.554 17.653 ( 0.658 6.636 3.163) 7.381 17.985 ( -0.457 -4.508 4.793) 6.596 18.115 ( 10.185 6.696 -7.701) 14.418 18.215 ( 6.195 -9.953 2.112) 11.912 18.482 ( 4.201 -4.690 -4.285) 7.616 18.787 ( 4.617 4.439 2.695) 6.949 18.931 ( -4.502 -2.500 -2.810) 5.867 19.051 ( 8.212 3.347 -4.277) 9.846 19.230 ( 5.402 -3.818 -1.249) 6.732 19.287 ( -1.387 2.679 0.997) 3.177 19.375 ( 4.334 3.308 -1.805) 5.744 19.547 ( -2.693 3.481 3.306) 5.504 19.633 ( 1.706 6.905 -1.933) 7.371 19.721 ( 3.873 -2.820 -0.401) 4.808 19.828 ( -1.233 2.979 -1.805) 3.695 19.869 ( 0.837 -0.827 -2.292) 2.576 19.971 ( -3.095 -3.035 -0.291) 4.344 20.087 ( 2.490 -5.466 -5.806) 8.353 20.164 ( -0.749 -9.335 0.390) 9.373 20.827 ( -4.102 5.227 -8.587) 10.857 20.856 ( 8.326 8.381 0.155) 11.814 21.033 ( -7.159 -1.093 -4.803) 8.690 21.299 ( 13.495 -8.975 -6.542) 17.478 21.887 ( -0.986 2.859 0.295) 3.039 21.943 ( -6.072 1.927 -0.116) 6.372 22.039 ( -6.816 -2.896 -0.108) 7.407 22.123 ( -8.573 -6.019 3.283) 10.978 22.355 ( -11.308 3.039 -1.842) 11.853 22.462 ( -6.617 0.761 1.985) 6.950 22.817 ( -15.589 9.828 4.668) 19.010 23.283 ( -8.938 -8.039 -3.897) 12.637 24.824 ( 5.809 4.210 2.348) 7.549 25.016 ( 9.218 -3.291 -3.178) 10.291 25.411 ( -3.968 6.843 10.567) 13.200 25.783 ( 7.022 -6.780 5.143) 11.033 26.211 ( 9.154 4.498 2.376) 10.472 26.401 ( 4.713 -5.621 -5.080) 8.923 26.750 ( 3.243 1.759 -0.316) 3.703 26.896 ( 5.937 2.219 -4.889) 8.005 26.973 ( -1.070 4.633 -0.984) 4.855 27.427 ( 4.230 -3.713 3.609) 6.686 27.486 ( -2.865 -3.670 4.230) 6.290 27.622 ( 2.317 -6.467 -1.544) 7.041 27.938 ( -2.945 5.328 3.256) 6.904 28.033 ( -6.556 -0.077 9.218) 11.312 28.285 ( 7.004 8.018 -3.521) 11.214 28.623 ( -0.649 -5.161 -4.170) 6.667 29.077 ( 5.603 1.890 -6.820) 9.027 29.201 ( 0.490 -2.467 -6.098) 6.597 29.562 ( 5.369 1.300 0.031) 5.524 29.628 ( 3.847 -1.134 0.328) 4.024 30.154 ( 12.844 2.353 2.429) 13.281 30.337 ( 16.991 -4.916 2.293) 17.836 30.831 ( 7.129 5.027 5.977) 10.574 30.948 ( 5.571 5.674 1.729) 8.138 31.219 ( -9.508 -4.506 7.485) 12.912 31.533 ( 2.202 -2.854 -5.038) 6.195 31.608 ( -7.175 1.134 -7.731) 10.608 31.933 ( -12.075 -5.142 -7.574) 15.153 32.837 ( 0.378 -0.662 6.512) 6.556 32.860 ( -0.401 -0.837 6.625) 6.689 33.201 ( -8.565 1.799 -0.547) 8.769 33.322 ( -6.973 -0.276 -1.183) 7.078 33.692 ( -2.732 1.295 5.610) 6.373 33.767 ( 4.332 -2.145 -5.138) 7.055 34.121 ( -2.121 6.306 -5.011) 8.329 34.299 ( -2.165 -1.637 -0.868) 2.850 37.994 ( 1.609 -0.520 -2.459) 2.985 38.055 ( 1.724 -2.343 -2.161) 3.624 38.354 ( -4.018 1.406 2.239) 4.810 38.411 ( -4.428 2.117 -0.335) 4.919 38.558 ( -4.496 -0.013 -0.447) 4.519 38.750 ( -2.414 -6.584 3.378) 7.783 38.883 ( -5.302 7.507 4.240) 10.121 39.058 ( 0.522 2.157 4.716) 5.212 39.252 ( -2.129 -0.145 1.837) 2.816 39.444 ( -1.738 -5.766 -0.793) 6.074 39.682 ( 2.714 1.776 -0.219) 3.251 39.794 ( 3.081 -7.040 5.053) 9.197 40.378 ( 5.258 14.525 0.276) 15.450 40.559 ( -7.444 1.574 -4.538) 8.859 40.624 ( -4.873 -0.884 -1.166) 5.088 40.774 ( 2.365 -3.264 -0.119) 4.032 41.019 ( 1.359 2.745 0.024) 3.063 41.148 ( -0.151 -1.836 3.755) 4.183 41.260 ( 0.446 4.823 5.683) 7.467 41.504 ( 2.057 -4.292 6.084) 7.724 42.286 ( 5.769 -3.885 2.453) 7.375 42.384 ( -2.450 -10.684 -6.227) 12.607 43.149 ( 8.682 14.103 -12.723) 20.884 43.634 ( -1.495 -6.968 -6.329) 9.532 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -7.165 2.841 -0.377) 7.717 2.405 ( -8.491 -1.503 -4.190) 9.587 2.604 ( 0.374 2.811 1.417) 3.170 2.699 ( 1.258 -2.198 1.812) 3.114 2.970 ( 1.390 -0.094 -1.217) 1.850 3.026 ( 0.266 0.537 0.701) 0.922 3.092 ( -0.057 -1.306 -1.386) 1.905 3.170 ( 0.332 4.566 -1.445) 4.800 3.327 ( -4.325 -2.021 -1.241) 4.932 3.369 ( -0.068 -6.702 -2.210) 7.057 3.507 ( -1.518 3.101 -0.566) 3.499 3.573 ( 2.041 9.099 1.253) 9.409 3.691 ( 1.193 0.827 4.920) 5.130 3.820 ( -0.682 3.369 0.269) 3.448 3.950 ( 2.648 2.750 9.044) 9.817 4.093 ( -2.475 -5.281 0.414) 5.847 4.341 ( -0.216 -2.110 -4.686) 5.143 4.478 ( 2.973 -3.758 2.270) 5.302 4.616 ( 2.206 5.151 -1.927) 5.925 4.633 ( 4.546 2.669 -1.673) 5.530 4.890 ( -1.366 -7.584 -0.994) 7.770 4.977 ( 2.293 -3.445 1.244) 4.321 4.987 ( -3.033 -3.472 -4.368) 6.351 5.083 ( -2.501 -0.668 0.828) 2.718 5.260 ( -5.831 -0.002 -2.424) 6.315 5.325 ( 2.890 -1.433 0.201) 3.232 5.497 ( 0.934 3.956 3.437) 5.323 5.678 ( -1.223 1.969 -7.986) 8.316 5.804 ( 1.547 2.119 -7.004) 7.480 5.854 ( 9.653 -5.522 1.476) 11.219 6.032 ( -4.715 3.510 -0.603) 5.909 6.056 ( 0.732 2.551 -7.226) 7.698 6.114 ( 0.256 2.938 -0.388) 2.974 6.181 ( 5.185 0.892 -4.414) 6.867 6.250 ( 0.695 1.063 4.920) 5.081 6.420 ( 0.691 -1.035 8.965) 9.051 6.730 ( 7.946 1.640 -3.226) 8.731 6.915 ( -1.077 2.150 9.137) 9.448 6.980 ( -5.136 2.415 1.367) 5.838 7.083 ( -0.488 -0.388 4.293) 4.338 7.181 ( 1.289 -5.509 3.505) 6.656 7.330 ( -4.625 6.427 0.026) 7.918 7.451 ( -7.765 -2.815 -0.593) 8.281 7.539 ( 1.150 -3.604 1.761) 4.173 7.684 ( 0.861 1.862 -0.673) 2.159 7.837 ( -7.023 -6.316 5.068) 10.719 8.313 ( 0.760 6.996 -3.046) 7.668 8.606 ( 1.224 -4.666 -1.835) 5.161 9.153 ( 3.322 0.967 1.369) 3.720 9.249 ( 2.833 -1.219 -4.715) 5.634 9.299 ( 0.266 3.668 1.585) 4.004 9.542 ( 1.769 -5.966 -2.912) 6.871 10.100 ( -0.199 8.267 3.762) 9.085 10.350 ( 0.001 -0.548 -1.494) 1.591 10.494 ( 0.565 3.984 -0.246) 4.032 10.596 ( -3.304 -0.034 -2.412) 4.091 10.690 ( -0.403 -3.182 -6.767) 7.488 10.841 ( 5.120 -5.522 1.745) 7.730 11.067 ( -0.539 1.352 1.561) 2.134 11.361 ( 2.197 -1.520 1.449) 3.039 11.437 ( 1.550 -1.066 0.288) 1.903 11.549 ( 0.791 -1.558 3.251) 3.691 12.207 ( -1.172 0.129 1.822) 2.170 12.343 ( -1.966 -2.991 -4.570) 5.805 12.383 ( -4.819 -1.436 -0.298) 5.037 12.418 ( -7.592 -5.476 1.944) 9.561 12.605 ( 3.545 2.609 -3.059) 5.360 12.786 ( -1.149 -4.759 -3.188) 5.842 13.195 ( -0.998 0.433 0.878) 1.398 13.303 ( -2.695 0.018 -1.292) 2.988 13.347 ( 5.338 -0.268 1.705) 5.611 13.449 ( 4.281 -1.264 -1.030) 4.581 13.707 ( -2.343 7.682 9.392) 12.358 13.974 ( -4.399 16.970 -2.344) 17.687 14.131 ( 6.301 -2.169 10.930) 12.801 14.596 ( -7.062 -0.803 2.437) 7.514 14.737 ( -8.543 -0.735 9.872) 13.076 14.751 ( 3.623 6.094 -0.481) 7.106 14.974 ( 5.905 -5.216 -3.859) 8.773 15.187 ( -0.308 -16.120 1.381) 16.182 15.938 ( 1.175 8.510 0.082) 8.591 16.216 ( 0.337 -2.468 -5.429) 5.973 16.247 ( -0.295 3.607 -0.757) 3.697 16.377 ( 5.061 1.213 -7.975) 9.523 16.723 ( -0.936 0.455 -4.531) 4.649 16.913 ( -4.868 -3.110 -0.484) 5.797 17.128 ( -4.449 -4.514 8.612) 10.693 17.217 ( -1.546 -4.482 4.627) 6.625 17.448 ( -1.148 4.253 0.065) 4.406 17.586 ( -5.549 -0.263 2.866) 6.251 18.132 ( 3.248 0.331 8.350) 8.966 18.242 ( -3.276 -3.387 4.089) 6.239 18.279 ( 7.332 7.436 -4.717) 11.459 18.495 ( 2.030 1.237 -2.340) 3.336 18.750 ( -6.834 2.001 -7.017) 9.997 18.939 ( 7.610 -6.771 1.674) 10.323 19.146 ( 4.285 3.941 -2.791) 6.456 19.276 ( -1.631 -1.479 2.250) 3.148 19.336 ( 0.957 -3.300 0.369) 3.456 19.412 ( 3.731 -0.006 -2.483) 4.482 19.534 ( -2.233 5.722 2.628) 6.681 19.659 ( 1.521 2.515 1.007) 3.107 19.793 ( 0.043 1.385 -3.151) 3.442 19.822 ( 5.148 1.962 -0.401) 5.524 19.848 ( -3.545 -1.723 -1.434) 4.194 19.920 ( 0.136 -0.484 0.850) 0.988 20.067 ( 0.133 -2.693 -6.148) 6.714 20.173 ( -0.333 -8.396 -1.259) 8.496 20.723 ( -1.418 4.371 -6.852) 8.250 20.841 ( -4.264 -0.930 -10.937) 11.775 21.022 ( 6.107 9.386 1.645) 11.318 21.544 ( 15.159 -7.557 -13.088) 21.405 21.804 ( -10.921 -2.141 -0.227) 11.132 21.862 ( -0.449 -4.334 5.871) 7.311 21.970 ( -3.925 -1.327 2.854) 5.031 21.999 ( 2.618 -1.310 1.876) 3.476 22.241 ( -1.510 1.924 -0.503) 2.497 22.370 ( -4.051 -2.064 -1.376) 4.750 22.668 ( -1.670 14.141 2.413) 14.443 23.158 ( -0.979 -7.390 -6.286) 9.751 24.889 ( -0.315 4.189 0.491) 4.229 25.086 ( -0.124 -3.337 -3.637) 4.938 25.386 ( -3.674 8.624 12.021) 15.244 25.931 ( 3.831 -13.492 10.627) 17.597 26.407 ( 8.181 4.178 6.387) 11.188 26.446 ( 2.264 0.774 -2.228) 3.269 26.797 ( 0.376 3.482 -0.085) 3.503 26.926 ( -1.734 8.464 0.060) 8.640 27.038 ( 8.695 -3.465 -3.401) 9.959 27.441 ( -2.689 -8.117 7.141) 11.141 27.477 ( -0.952 0.337 -0.475) 1.116 27.622 ( -1.049 -5.192 -5.012) 7.293 27.839 ( -7.508 3.862 0.261) 8.447 27.932 ( -7.623 -0.485 7.162) 10.471 28.436 ( 8.395 6.071 -2.475) 10.652 28.603 ( 0.304 -0.218 -0.746) 0.834 29.132 ( 2.366 -1.199 -5.592) 6.189 29.155 ( -1.779 -1.656 -7.566) 7.947 29.613 ( -0.363 1.033 0.305) 1.136 29.671 ( 0.114 -1.148 1.320) 1.753 30.381 ( 6.271 0.931 5.535) 8.416 30.558 ( 3.109 -6.526 7.433) 10.368 30.804 ( -12.991 4.342 7.984) 15.855 31.062 ( -1.779 -3.695 -2.046) 4.583 31.091 ( 0.033 9.476 1.339) 9.570 31.421 ( -3.954 7.620 -4.590) 9.735 31.688 ( 11.944 -8.799 -5.797) 15.928 31.845 ( 9.243 -4.205 -5.745) 11.667 32.796 ( -6.677 -1.490 5.221) 8.606 32.825 ( -6.487 -2.201 3.589) 7.733 33.083 ( -1.905 3.100 -1.771) 4.047 33.224 ( -2.220 -2.314 -4.294) 5.359 33.684 ( -0.941 4.069 5.439) 6.857 33.833 ( 3.733 -1.737 -1.982) 4.570 34.072 ( 0.160 4.587 -5.597) 7.238 34.261 ( -0.435 -2.582 -2.119) 3.368 38.034 ( 3.327 -0.146 -1.068) 3.498 38.125 ( 5.627 -3.014 0.074) 6.384 38.273 ( -3.627 1.059 -1.643) 4.120 38.322 ( -4.078 -0.298 -0.972) 4.202 38.489 ( -1.986 2.028 -1.354) 3.145 38.682 ( -4.323 -4.251 -0.377) 6.075 38.854 ( -1.346 5.037 5.184) 7.352 39.096 ( 0.369 1.652 5.796) 6.039 39.203 ( -2.051 0.765 -1.214) 2.503 39.466 ( 2.392 -6.151 4.345) 7.902 39.748 ( 2.560 1.950 4.277) 5.352 39.876 ( 2.234 -6.354 6.636) 9.456 40.344 ( -5.979 7.210 -6.978) 11.680 40.460 ( -1.364 2.319 -8.328) 8.752 40.565 ( 0.363 3.242 0.159) 3.267 40.794 ( -0.542 -1.469 1.371) 2.081 41.031 ( 0.318 3.461 -0.387) 3.497 41.184 ( 1.586 -2.151 4.554) 5.280 41.312 ( 0.801 4.303 7.718) 8.873 41.554 ( -0.763 -4.099 7.143) 8.271 42.253 ( -5.024 -4.759 -6.470) 9.474 42.438 ( 5.933 -8.266 4.304) 11.048 43.218 ( 5.644 10.452 -15.865) 19.819 43.538 ( -4.481 -3.348 -8.149) 9.884 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -20.936 9.103 0.231) 22.830 2.062 ( -20.406 8.887 -6.469) 23.179 2.551 ( -8.969 -0.902 8.638) 12.485 2.703 ( -1.018 -8.455 -1.255) 8.608 2.968 ( -3.348 -1.487 -3.293) 4.926 3.026 ( -3.710 -6.330 -2.651) 7.801 3.138 ( 0.378 3.478 -2.477) 4.287 3.178 ( -2.083 3.050 0.315) 3.706 3.218 ( 7.043 3.726 5.763) 9.833 3.483 ( -0.066 0.871 -0.026) 0.874 3.497 ( 8.679 1.347 -0.210) 8.785 3.571 ( -6.124 6.192 0.798) 8.745 3.725 ( -2.768 4.602 -0.430) 5.387 3.760 ( -0.012 -6.049 -3.010) 6.757 3.990 ( -2.345 -4.078 -0.513) 4.732 4.102 ( 0.036 -5.642 6.560) 8.652 4.275 ( -4.403 1.612 -1.472) 4.915 4.524 ( 2.312 -1.778 3.228) 4.351 4.663 ( -1.121 1.518 -2.683) 3.280 4.721 ( 3.552 0.941 -1.903) 4.138 4.841 ( 3.209 1.183 -6.372) 7.232 4.929 ( -2.021 -2.730 -1.398) 3.673 5.001 ( -0.849 -1.104 -2.349) 2.731 5.074 ( -2.252 3.113 5.894) 7.036 5.198 ( 0.882 -8.458 -1.497) 8.634 5.298 ( -1.052 -4.775 1.995) 5.281 5.478 ( -3.683 3.408 -0.901) 5.099 5.698 ( 5.029 4.621 -1.102) 6.918 5.717 ( -5.630 1.178 -9.072) 10.742 5.890 ( -7.894 4.429 -2.980) 9.529 5.927 ( -4.019 0.012 -0.830) 4.104 6.066 ( 2.121 0.974 -3.489) 4.198 6.143 ( -3.124 -1.525 -3.016) 4.602 6.205 ( 9.939 -3.813 0.188) 10.647 6.412 ( 8.122 4.098 8.350) 12.349 6.555 ( 7.113 -0.275 7.631) 10.436 6.660 ( -7.092 11.403 -0.237) 13.430 6.916 ( -6.998 0.026 9.997) 12.203 6.977 ( -0.052 -3.500 0.677) 3.565 7.035 ( -10.441 -3.710 5.761) 12.489 7.204 ( -2.828 0.954 -1.634) 3.403 7.270 ( 4.244 -6.255 1.921) 7.800 7.376 ( 3.767 2.501 -3.382) 5.647 7.587 ( 4.805 -2.915 -1.456) 5.805 7.679 ( -0.282 1.073 -2.161) 2.430 7.749 ( -3.590 -2.314 2.490) 4.944 8.170 ( -11.623 6.825 -0.663) 13.495 8.486 ( -10.782 -5.058 -3.962) 12.552 9.138 ( -6.379 2.137 0.712) 6.765 9.211 ( -2.885 0.426 -1.242) 3.170 9.267 ( -3.733 2.517 2.809) 5.307 9.512 ( -3.459 -6.310 -2.233) 7.535 10.088 ( -3.451 8.156 7.724) 11.751 10.334 ( 1.206 1.476 -6.020) 6.314 10.397 ( -6.613 1.520 -0.655) 6.817 10.469 ( -7.557 -0.341 -0.937) 7.622 10.699 ( -1.543 -0.607 -0.953) 1.912 10.860 ( -2.480 3.553 -0.438) 4.355 11.095 ( 0.394 -6.839 2.858) 7.423 11.349 ( -2.355 -9.018 -7.258) 11.814 11.590 ( 10.305 0.832 5.399) 11.664 11.642 ( 5.991 -0.112 6.206) 8.627 12.051 ( -9.462 1.740 -1.830) 9.794 12.182 ( -11.350 -4.611 0.677) 12.269 12.305 ( 1.929 2.001 0.215) 2.787 12.396 ( 3.512 -2.706 -4.605) 6.392 12.762 ( 7.386 -4.305 -3.338) 9.178 12.821 ( 3.441 -4.151 -4.493) 7.018 13.099 ( -5.334 2.741 -3.193) 6.794 13.254 ( -3.199 -3.859 1.013) 5.114 13.442 ( -0.355 1.452 3.718) 4.007 13.510 ( -1.319 0.279 2.763) 3.074 13.760 ( 2.103 10.558 8.374) 13.639 13.908 ( 0.815 16.294 -2.141) 16.454 14.361 ( 12.632 -5.713 9.308) 16.699 14.676 ( 11.906 -3.999 -2.921) 12.895 14.760 ( 1.168 5.430 1.659) 5.797 14.885 ( 17.458 -1.348 5.899) 18.477 15.059 ( 3.857 -4.195 4.162) 7.056 15.196 ( 0.075 -11.108 3.550) 11.662 16.010 ( 6.229 7.060 0.312) 9.420 16.243 ( 2.831 1.502 -3.146) 4.491 16.300 ( 6.963 0.953 -0.096) 7.028 16.468 ( 6.690 2.820 -5.879) 9.342 16.660 ( -1.521 2.314 -7.289) 7.797 16.856 ( -0.683 -3.625 -0.816) 3.778 17.084 ( -3.735 -6.460 0.565) 7.483 17.216 ( -0.667 -6.304 2.277) 6.735 17.458 ( 3.010 3.459 -3.650) 5.861 17.537 ( 0.322 -0.678 -0.941) 1.204 18.034 ( -8.859 0.889 10.918) 14.088 18.149 ( -10.325 -1.563 -1.071) 10.498 18.362 ( 0.032 5.936 3.340) 6.811 18.587 ( 7.286 4.136 2.175) 8.656 18.695 ( 0.341 4.367 -1.057) 4.506 19.031 ( 1.938 -5.907 1.105) 6.315 19.162 ( -6.693 -2.938 0.455) 7.324 19.251 ( 1.895 -4.503 0.614) 4.925 19.325 ( 0.505 0.152 -1.554) 1.641 19.442 ( -5.048 4.460 0.690) 6.771 19.473 ( 0.290 -0.089 -0.233) 0.382 19.664 ( -1.738 -0.650 1.581) 2.438 19.755 ( -2.659 -0.692 -2.807) 3.928 19.817 ( 2.419 3.082 -1.115) 4.074 19.904 ( 3.069 -0.335 -1.457) 3.414 19.966 ( 1.237 1.071 2.416) 2.918 20.056 ( 1.574 -1.844 -4.539) 5.146 20.145 ( 1.754 -4.693 -5.985) 7.805 20.688 ( -0.201 6.403 -3.947) 7.524 20.776 ( 3.439 0.523 -12.428) 12.905 21.111 ( 2.965 3.924 1.149) 5.051 21.501 ( -13.589 -7.878 -3.609) 16.117 21.790 ( 12.576 -0.641 -6.843) 14.331 21.963 ( 3.571 -5.657 2.514) 7.147 22.025 ( 8.782 2.678 1.229) 9.263 22.139 ( 10.599 -1.806 0.910) 10.790 22.243 ( 1.144 -1.124 1.708) 2.343 22.309 ( 1.224 -1.248 -5.721) 5.982 22.756 ( 8.755 12.186 4.370) 15.629 23.184 ( 7.407 -7.012 -6.794) 12.255 24.817 ( -6.752 4.591 0.443) 8.177 24.984 ( -8.132 -2.229 -3.717) 9.215 25.407 ( -0.969 9.926 11.429) 15.168 26.037 ( -0.057 -16.487 14.831) 22.176 26.464 ( 0.961 4.499 0.222) 4.606 26.594 ( 4.638 1.859 11.063) 12.139 26.714 ( -8.333 6.761 -0.191) 10.733 26.899 ( -0.722 4.474 -5.526) 7.146 27.145 ( 1.126 -1.190 1.277) 2.078 27.385 ( -4.981 1.497 -2.361) 5.712 27.478 ( -2.277 -8.086 3.480) 9.093 27.544 ( 0.714 -3.495 -4.570) 5.797 27.721 ( -2.107 2.906 -2.448) 4.345 27.837 ( -4.888 -1.875 4.669) 7.015 28.523 ( -0.167 5.776 3.285) 6.647 28.647 ( 4.969 1.236 -2.011) 5.501 29.048 ( -4.127 -0.496 -10.312) 11.118 29.101 ( -2.194 -2.453 -4.854) 5.864 29.554 ( -5.677 1.551 0.122) 5.886 29.648 ( -3.381 -1.895 2.147) 4.431 30.301 ( -18.334 -0.470 6.539) 19.471 30.478 ( -19.605 -1.244 9.309) 21.738 30.639 ( 0.483 -0.745 3.680) 3.786 30.913 ( -11.034 -6.238 -4.243) 13.366 31.196 ( 9.123 10.565 0.463) 13.967 31.438 ( 9.655 5.302 -6.095) 12.588 31.949 ( 12.970 -4.288 1.006) 13.697 32.100 ( 16.696 -2.878 -3.165) 17.236 32.669 ( -8.122 -1.569 2.612) 8.675 32.692 ( -7.546 -1.713 3.042) 8.314 33.090 ( 3.852 1.367 -4.913) 6.391 33.177 ( -0.028 -2.971 -5.250) 6.033 33.719 ( 1.343 4.348 7.220) 8.535 33.877 ( 1.432 -2.586 0.025) 2.957 34.067 ( 1.903 4.920 -5.887) 7.905 34.257 ( 0.891 -2.479 -3.197) 4.143 38.091 ( 1.828 -1.499 0.387) 2.395 38.189 ( -2.779 -5.061 1.456) 5.955 38.238 ( 3.205 3.122 -4.973) 6.690 38.318 ( 7.698 -0.798 -3.651) 8.557 38.466 ( -0.585 1.378 1.745) 2.299 38.615 ( -2.075 -3.045 1.086) 3.841 38.862 ( -0.412 3.482 4.154) 5.436 39.114 ( -0.530 -3.213 1.847) 3.743 39.196 ( 0.929 6.997 2.405) 7.457 39.546 ( 2.659 -4.778 4.639) 7.170 39.815 ( 1.208 2.075 5.441) 5.947 39.928 ( -1.158 -3.264 3.759) 5.111 40.166 ( -8.595 5.244 -4.348) 10.967 40.396 ( 0.708 -4.314 -7.276) 8.489 40.606 ( 4.404 5.528 -2.635) 7.543 40.790 ( 0.216 -1.815 1.273) 2.227 41.032 ( -0.186 3.989 0.074) 3.994 41.243 ( 1.549 -2.898 4.521) 5.589 41.366 ( -0.271 1.486 11.118) 11.221 41.540 ( -4.324 -4.607 5.818) 8.589 42.133 ( -3.451 3.126 -4.635) 6.570 42.564 ( 3.954 -10.657 5.236) 12.515 43.187 ( 0.054 8.168 -17.854) 19.633 43.371 ( -7.184 -0.260 -12.360) 14.298 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -25.461 16.329 1.415) 30.281 1.667 ( -18.041 20.920 9.033) 29.064 2.355 ( -17.010 -10.030 9.436) 21.886 2.652 ( -7.264 -16.637 4.099) 18.611 2.760 ( -14.451 5.776 -7.322) 17.199 2.922 ( -23.260 9.538 -5.541) 25.743 3.069 ( -1.317 -3.751 -0.696) 4.036 3.127 ( -5.114 4.075 0.876) 6.597 3.173 ( -3.495 3.979 1.157) 5.421 3.391 ( -3.805 -4.006 0.864) 5.592 3.543 ( 0.440 -0.627 -8.324) 8.360 3.581 ( 2.566 0.454 2.688) 3.744 3.723 ( 3.831 1.610 -0.018) 4.156 3.813 ( 6.347 -8.628 -6.001) 12.277 3.958 ( 0.318 -0.752 2.683) 2.804 4.113 ( 0.210 -5.340 1.981) 5.700 4.235 ( 0.832 1.988 0.669) 2.256 4.508 ( -5.654 -4.200 0.935) 7.105 4.615 ( -6.901 1.875 5.101) 8.784 4.703 ( -5.541 -1.926 -1.571) 6.073 4.781 ( -3.554 2.585 -7.020) 8.282 4.934 ( 3.200 -0.031 -5.302) 6.193 4.971 ( -1.834 3.378 1.114) 4.002 5.085 ( -0.048 0.859 12.674) 12.703 5.182 ( -1.006 -3.878 -4.563) 6.072 5.382 ( 2.644 -2.186 1.980) 3.961 5.409 ( -2.431 -2.513 2.993) 4.602 5.520 ( -7.627 -2.735 -5.660) 9.883 5.728 ( -6.923 2.519 -6.831) 10.046 5.747 ( -2.805 10.556 -7.430) 13.210 5.845 ( 3.254 1.181 -3.034) 4.603 5.985 ( -4.813 1.712 -6.778) 8.487 6.149 ( 4.816 2.038 -0.914) 5.308 6.439 ( 1.633 -0.563 1.592) 2.349 6.455 ( 4.858 -2.453 4.017) 6.765 6.591 ( -13.670 -1.679 5.541) 14.845 6.701 ( 7.511 0.543 6.894) 10.210 6.782 ( -4.999 1.556 0.980) 5.326 6.908 ( 2.281 2.632 -0.706) 3.553 7.005 ( 0.380 0.384 12.270) 12.282 7.221 ( 3.105 -0.231 3.557) 4.727 7.300 ( 2.536 -2.311 -4.937) 6.012 7.505 ( 3.637 -0.494 3.595) 5.138 7.677 ( 2.644 1.995 -5.799) 6.678 7.725 ( -1.366 -5.405 1.695) 5.827 7.745 ( 13.062 -1.283 -3.278) 13.528 8.012 ( -1.166 5.254 2.010) 5.744 8.252 ( -8.391 -4.521 -3.774) 10.252 9.005 ( -6.624 3.120 0.150) 7.324 9.125 ( -5.679 -0.718 -0.578) 5.753 9.191 ( -5.245 2.707 2.279) 6.327 9.382 ( -8.906 -4.687 -1.542) 10.181 10.023 ( -8.048 8.389 5.885) 13.029 10.240 ( -9.189 -0.361 -1.769) 9.364 10.293 ( -4.607 2.727 -2.925) 6.100 10.362 ( -1.779 1.841 1.428) 2.931 10.587 ( -8.065 -0.025 0.788) 8.103 10.818 ( -0.569 2.349 -3.173) 3.988 11.104 ( -0.929 -10.631 4.121) 11.439 11.240 ( -3.487 -6.753 -5.274) 9.251 11.782 ( 5.469 0.341 5.005) 7.421 11.805 ( 6.073 0.054 5.411) 8.134 11.934 ( -1.658 1.381 -1.860) 2.849 11.999 ( -6.964 -1.945 -0.195) 7.233 12.409 ( 6.703 2.418 1.312) 7.245 12.464 ( 6.371 -1.110 -4.447) 7.849 12.765 ( -4.575 -2.701 -2.575) 5.904 12.812 ( -1.556 -1.307 -2.802) 3.461 13.027 ( -0.478 1.728 -6.636) 6.874 13.192 ( -4.679 -4.024 8.005) 10.108 13.372 ( -8.057 -0.638 3.124) 8.665 13.453 ( -1.086 -3.442 -2.177) 4.215 13.744 ( -3.968 13.828 0.193) 14.388 14.093 ( 13.308 6.580 2.451) 15.047 14.585 ( 2.793 0.067 -2.061) 3.472 14.777 ( 11.201 -0.885 8.045) 13.819 15.014 ( 4.619 -9.058 10.806) 14.837 15.038 ( -2.764 -5.161 5.853) 8.278 15.313 ( 14.169 2.816 1.207) 14.497 15.431 ( 22.663 -0.691 6.057) 23.469 16.185 ( 12.701 5.242 -4.027) 14.318 16.276 ( 2.361 4.628 -1.262) 5.347 16.426 ( 4.606 -5.203 -5.113) 8.627 16.547 ( 4.280 4.725 -2.163) 6.732 16.663 ( 7.119 5.839 -2.498) 9.540 16.845 ( -1.729 -8.827 -1.762) 9.166 17.034 ( 2.356 -2.495 -2.974) 4.541 17.204 ( -1.089 -9.757 1.614) 9.950 17.504 ( 2.505 3.304 -2.836) 5.023 17.567 ( 2.923 0.198 -3.533) 4.590 17.948 ( -4.613 6.570 -3.393) 8.715 18.068 ( 6.362 -1.280 2.167) 6.841 18.327 ( -5.375 3.260 8.199) 10.332 18.647 ( -5.392 -1.560 3.007) 6.367 18.698 ( 0.554 3.375 5.576) 6.542 18.975 ( -8.338 -4.918 1.171) 9.751 19.087 ( 0.137 -0.431 1.415) 1.486 19.268 ( -0.106 -6.503 0.231) 6.508 19.309 ( -2.447 3.933 0.923) 4.723 19.393 ( -0.854 2.190 2.167) 3.197 19.490 ( 1.819 -1.729 -2.435) 3.496 19.626 ( -1.830 3.165 -2.401) 4.374 19.699 ( -3.051 -4.870 -1.715) 5.997 19.805 ( -5.306 -0.553 -4.689) 7.103 19.881 ( -1.959 1.623 -0.941) 2.712 19.962 ( 1.992 -2.165 -2.266) 3.714 20.116 ( 4.391 1.882 0.139) 4.779 20.216 ( 6.202 -2.360 -4.803) 8.192 20.660 ( -1.274 6.189 -0.530) 6.341 20.801 ( 3.301 0.510 -8.803) 9.416 21.172 ( 2.835 -0.096 0.180) 2.842 21.268 ( -6.335 -2.790 -3.670) 7.834 21.942 ( 4.595 -0.912 0.204) 4.689 22.017 ( 1.897 -1.853 -2.171) 3.427 22.169 ( 4.971 0.886 -5.393) 7.388 22.200 ( -2.240 -3.647 0.960) 4.386 22.471 ( 19.999 1.217 -3.249) 20.298 22.504 ( 21.057 0.315 -1.059) 21.086 23.040 ( 16.749 6.668 5.959) 18.986 23.372 ( 14.611 -6.871 -4.728) 16.824 24.651 ( -10.351 4.027 -0.023) 11.107 24.742 ( -14.566 -0.481 -3.001) 14.879 25.441 ( -2.349 12.409 11.616) 17.159 26.067 ( -6.421 -12.327 17.119) 22.051 26.390 ( -13.453 6.607 -1.852) 15.102 26.554 ( -5.466 -1.746 5.074) 7.659 26.633 ( -4.488 2.360 0.028) 5.070 26.864 ( 2.268 -1.851 -4.143) 5.073 27.103 ( -3.143 4.507 -1.634) 5.733 27.278 ( -4.925 -0.383 -4.003) 6.358 27.414 ( 2.469 2.174 -5.126) 6.091 27.628 ( 2.546 0.622 4.906) 5.562 27.775 ( 3.980 -0.811 -0.752) 4.131 27.801 ( 2.700 -3.672 5.383) 7.053 28.496 ( -4.518 8.503 5.097) 10.895 28.733 ( 5.030 0.243 -4.881) 7.013 28.915 ( -2.644 -0.059 -9.826) 10.176 29.019 ( -3.274 -4.003 -4.886) 7.115 29.409 ( -8.590 2.093 -0.421) 8.851 29.562 ( -6.475 -3.623 0.594) 7.444 29.887 ( -22.961 2.738 3.057) 23.325 30.159 ( -17.997 -4.797 9.245) 20.793 30.552 ( -13.180 -0.950 -6.011) 14.517 30.647 ( -11.129 -3.079 1.685) 11.670 31.414 ( 10.662 5.500 2.847) 12.330 31.661 ( 14.388 0.973 -7.527) 16.267 32.132 ( 3.794 1.209 7.020) 8.071 32.394 ( 12.850 -2.725 -4.069) 13.751 32.540 ( -5.405 -0.483 4.511) 7.057 32.575 ( -5.938 -1.688 3.217) 6.961 33.176 ( 6.723 -2.126 -4.948) 8.613 33.183 ( 6.136 -1.943 -9.837) 11.756 33.818 ( 4.276 2.896 8.717) 10.132 33.905 ( 1.218 -1.876 3.567) 4.211 34.062 ( 0.165 4.883 -4.210) 6.449 34.242 ( -0.822 -2.296 -3.844) 4.553 38.114 ( 1.080 -2.654 -1.488) 3.228 38.132 ( -0.502 -3.492 -1.830) 3.974 38.340 ( 8.005 3.829 -2.561) 9.236 38.442 ( 3.578 0.340 -1.991) 4.109 38.484 ( 0.558 -2.656 6.245) 6.809 38.653 ( 5.565 -6.229 3.628) 9.107 38.881 ( 0.054 2.756 3.894) 4.771 39.116 ( -0.234 -4.914 0.670) 4.965 39.236 ( 1.668 10.186 2.364) 10.589 39.587 ( -0.737 -1.334 -1.527) 2.157 39.795 ( -7.199 2.468 -4.135) 8.661 39.821 ( -7.026 2.354 -1.001) 7.477 40.053 ( -1.728 5.467 8.737) 10.450 40.428 ( 3.536 -8.281 -0.433) 9.015 40.731 ( 9.384 0.978 -1.142) 9.504 40.847 ( 6.017 -3.786 0.074) 7.110 41.020 ( -1.162 3.887 1.024) 4.184 41.271 ( -1.480 -6.023 2.347) 6.632 41.401 ( -3.875 -2.475 10.540) 11.500 41.484 ( -1.528 -2.673 7.043) 7.687 42.098 ( 1.196 10.449 1.533) 10.629 42.622 ( -1.739 -11.564 4.321) 12.466 43.034 ( -5.317 8.234 -17.209) 19.805 43.129 ( -9.146 2.711 -20.005) 22.163 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -21.153 22.133 9.233) 31.978 1.435 ( -24.104 25.765 18.115) 39.661 1.778 ( -35.627 20.851 6.927) 41.857 2.132 ( -21.703 -13.836 4.997) 26.219 2.594 ( -6.013 -13.383 8.541) 16.977 2.821 ( 1.210 7.582 -2.969) 8.232 2.935 ( -6.398 0.433 1.307) 6.544 3.030 ( -5.335 -3.409 -1.521) 6.511 3.173 ( 0.296 -6.004 -0.867) 6.074 3.272 ( -2.512 -6.487 -3.411) 7.748 3.569 ( -2.757 -2.093 -7.287) 8.067 3.632 ( 3.486 -2.987 0.094) 4.592 3.765 ( 3.033 1.506 -0.746) 3.468 3.809 ( -3.462 -2.067 -7.287) 8.328 4.031 ( 1.399 -7.037 6.341) 9.575 4.134 ( -0.826 -4.807 -0.501) 4.903 4.264 ( 1.273 3.062 -1.333) 3.574 4.346 ( -5.292 -0.515 5.616) 7.734 4.515 ( -4.125 0.797 -1.049) 4.330 4.600 ( -4.152 -0.332 -3.942) 5.735 4.658 ( -5.408 -0.146 0.917) 5.487 4.764 ( -11.603 3.926 -2.944) 12.598 5.059 ( -0.868 -4.282 4.282) 6.118 5.109 ( -3.318 3.017 4.318) 6.226 5.151 ( 3.413 6.161 -0.162) 7.045 5.348 ( -0.105 -0.560 -0.437) 0.718 5.394 ( 0.738 -0.183 -2.743) 2.846 5.463 ( -0.163 -1.540 -2.106) 2.614 5.627 ( -0.056 -5.792 -5.682) 8.114 5.647 ( -3.847 1.586 -11.153) 11.904 5.788 ( -0.250 7.364 -3.282) 8.066 6.019 ( 7.158 6.169 -11.890) 15.188 6.264 ( 2.008 2.289 1.011) 3.209 6.341 ( -4.530 2.954 1.514) 5.616 6.394 ( -1.593 3.353 3.906) 5.389 6.616 ( -0.428 -2.270 0.464) 2.356 6.749 ( 3.752 -4.188 3.248) 6.494 6.803 ( -0.930 -9.569 12.006) 15.382 6.986 ( 2.131 6.338 -1.045) 6.768 7.152 ( 7.922 7.911 7.603) 13.533 7.301 ( 2.511 -4.872 -4.475) 7.076 7.386 ( 5.908 -0.623 7.491) 9.561 7.559 ( 1.419 -1.920 5.649) 6.133 7.662 ( -5.579 -5.711 3.349) 8.658 7.729 ( 6.103 5.294 -7.633) 11.114 7.965 ( 7.228 -1.227 0.814) 7.377 8.148 ( 3.245 -1.487 -2.384) 4.292 8.194 ( 12.467 -1.942 -1.173) 12.672 8.883 ( -5.626 1.981 -0.941) 6.039 8.965 ( -10.540 -0.755 -1.747) 10.710 9.110 ( -3.556 1.382 0.022) 3.815 9.179 ( -9.279 -1.427 -1.364) 9.487 9.847 ( -9.374 7.825 -2.321) 12.429 10.070 ( -6.221 -1.936 -1.674) 6.727 10.179 ( -6.570 5.553 1.261) 8.695 10.322 ( -3.152 0.668 -0.266) 3.233 10.453 ( -5.440 1.826 2.343) 6.198 10.823 ( 2.922 -0.267 -3.903) 4.883 11.083 ( -3.484 -12.792 5.040) 14.184 11.215 ( 2.150 -6.520 -0.550) 6.888 11.819 ( -4.086 1.646 1.442) 4.635 11.881 ( 0.598 -0.743 3.787) 3.905 11.956 ( 3.652 1.250 -2.707) 4.715 11.969 ( 3.176 0.636 4.246) 5.340 12.487 ( 1.389 2.775 -5.496) 6.312 12.600 ( 7.567 3.356 -1.917) 8.497 12.653 ( -4.076 -2.699 -1.574) 5.136 12.783 ( -0.515 2.472 7.558) 7.969 12.966 ( -3.430 -2.963 -2.283) 5.075 13.176 ( -2.972 -6.015 7.690) 10.205 13.242 ( -1.783 3.716 -0.826) 4.204 13.471 ( 2.582 -8.075 -0.717) 8.508 13.686 ( -1.232 12.494 -2.113) 12.731 14.264 ( 3.534 -5.247 -2.464) 6.789 14.659 ( 6.963 8.461 -1.303) 11.035 14.945 ( -6.343 -4.718 5.902) 9.865 15.030 ( -0.202 -3.975 12.407) 13.030 15.107 ( 5.455 -3.149 9.999) 11.817 15.531 ( 3.567 3.929 -1.540) 5.526 15.632 ( -4.191 0.708 8.198) 9.234 16.341 ( 5.945 3.302 -0.318) 6.808 16.411 ( 6.891 0.772 -9.948) 12.126 16.548 ( 9.218 0.733 -5.814) 10.923 16.675 ( 18.357 -4.634 -3.687) 19.288 16.759 ( -0.907 -1.937 -2.044) 2.958 16.891 ( 8.225 -0.462 1.064) 8.306 17.111 ( 4.609 -1.773 1.593) 5.189 17.247 ( 4.859 -8.852 2.935) 10.516 17.530 ( -0.627 3.570 3.072) 4.751 17.580 ( 0.297 0.672 1.062) 1.291 17.900 ( 1.094 14.601 -5.412) 15.610 18.233 ( 3.246 -4.863 0.274) 5.853 18.287 ( 1.305 0.127 1.848) 2.266 18.595 ( 0.859 -6.645 -1.333) 6.832 18.672 ( -3.837 3.541 3.765) 6.437 18.843 ( -4.979 -2.068 0.430) 5.409 19.071 ( -4.194 -0.766 1.981) 4.701 19.194 ( -7.182 -0.080 0.385) 7.193 19.307 ( -0.439 -1.289 -0.237) 1.382 19.356 ( -3.516 -0.523 0.557) 3.598 19.478 ( -2.012 -0.102 0.395) 2.053 19.500 ( -10.590 -0.649 -4.376) 11.477 19.642 ( 3.614 -1.488 -3.461) 5.220 19.720 ( -0.170 -3.434 -1.345) 3.692 19.866 ( -0.276 2.474 -3.825) 4.563 20.002 ( 2.689 -2.792 -2.430) 4.575 20.187 ( 2.382 2.624 1.280) 3.768 20.283 ( 2.728 -1.539 -2.419) 3.957 20.642 ( -0.716 4.068 1.321) 4.336 20.773 ( -1.903 -0.850 -3.106) 3.740 21.220 ( 0.985 0.569 -2.120) 2.406 21.240 ( 5.318 0.802 -6.349) 8.321 21.995 ( 0.386 -0.585 1.869) 1.996 22.022 ( -0.482 -1.170 0.723) 1.458 22.157 ( -0.985 1.086 -0.078) 1.469 22.229 ( 5.285 -0.642 -7.796) 9.440 22.904 ( 22.979 1.310 -2.440) 23.145 22.941 ( 23.198 1.543 -1.250) 23.283 23.423 ( 17.401 1.701 8.317) 19.362 23.654 ( 13.539 -6.617 0.815) 15.091 24.415 ( -13.415 1.526 -1.687) 13.606 24.418 ( -15.481 1.169 -3.051) 15.822 25.420 ( -6.586 15.917 10.520) 20.184 25.934 ( -13.019 -2.209 6.259) 14.614 26.055 ( -14.157 5.554 -5.946) 16.329 26.422 ( -4.829 -7.560 -2.870) 9.418 26.625 ( -0.800 2.116 7.861) 8.180 26.902 ( 2.359 -4.850 -1.213) 5.528 27.061 ( -0.289 1.286 -7.277) 7.396 27.142 ( -3.902 -1.035 -11.821) 12.491 27.515 ( 3.913 7.482 7.490) 11.287 27.695 ( 4.069 3.224 -5.314) 7.430 27.775 ( 0.791 1.547 0.430) 1.790 28.004 ( 8.584 -3.025 7.257) 11.640 28.371 ( -8.868 11.357 -6.138) 15.662 28.807 ( 7.005 -0.228 0.758) 7.049 28.902 ( 1.143 -3.081 -8.096) 8.738 28.945 ( 2.394 -4.075 0.234) 4.732 29.244 ( -7.166 1.496 -1.078) 7.399 29.363 ( -11.754 -4.316 -5.672) 13.746 29.586 ( -9.693 3.545 9.268) 13.872 29.884 ( -14.739 -8.568 6.001) 18.074 30.213 ( -12.803 4.697 -6.390) 15.060 30.433 ( -12.694 -7.888 3.473) 15.343 31.582 ( 3.317 1.136 4.396) 5.623 31.792 ( 1.607 -4.386 -9.692) 10.759 32.232 ( 3.838 10.442 8.048) 13.730 32.426 ( -2.264 -0.185 4.896) 5.397 32.475 ( -4.606 -1.142 5.141) 6.996 32.651 ( 6.855 -3.999 -1.124) 8.016 33.264 ( 7.986 -1.041 -7.938) 11.308 33.332 ( 10.777 -1.218 -7.837) 13.381 33.887 ( -1.553 3.772 2.654) 4.866 34.021 ( 5.997 -0.485 3.378) 6.900 34.061 ( 0.416 0.056 9.225) 9.235 34.192 ( -0.817 -2.408 -1.145) 2.788 38.119 ( 2.395 -0.458 -0.459) 2.481 38.189 ( 4.587 -2.667 -0.986) 5.397 38.447 ( 1.149 -0.482 0.184) 1.260 38.490 ( 1.082 -1.067 2.898) 3.272 38.541 ( 4.701 -2.343 4.468) 6.895 38.788 ( 2.413 -8.269 0.642) 8.638 38.918 ( 2.692 -0.054 6.609) 7.136 39.053 ( -6.898 -3.737 -2.124) 8.128 39.290 ( 2.764 7.933 0.988) 8.458 39.476 ( -3.512 9.501 -11.230) 15.123 39.577 ( -7.923 7.761 -4.230) 11.870 39.774 ( -1.600 -0.529 7.956) 8.132 40.140 ( 4.063 4.234 9.334) 11.025 40.494 ( 2.607 -8.831 1.752) 9.373 40.888 ( 4.069 -0.854 0.197) 4.162 40.971 ( 2.947 -0.069 1.567) 3.338 41.068 ( 8.524 -4.820 -1.568) 9.917 41.165 ( -8.007 -10.732 -1.623) 13.488 41.391 ( -0.226 3.498 6.402) 7.299 41.557 ( 0.558 -5.999 13.113) 14.431 42.182 ( 2.131 5.991 2.821) 6.957 42.498 ( -10.716 -6.874 -0.679) 12.749 42.804 ( -2.586 13.973 -25.200) 28.930 42.932 ( -0.964 2.736 -2.984) 4.162 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 5.952 -23.893 7.638) 25.780 1.395 ( 5.952 23.893 7.638) 25.780 1.765 ( -3.314 -28.921 10.196) 30.844 1.765 ( -3.314 28.921 10.196) 30.844 2.626 ( 1.278 -19.054 4.651) 19.655 2.626 ( 1.278 19.054 4.651) 19.655 2.952 ( 1.658 -8.674 3.979) 9.686 2.952 ( 1.658 8.674 3.979) 9.686 3.039 ( -2.259 -7.810 -3.241) 8.752 3.039 ( -2.259 7.810 -3.241) 8.752 3.605 ( 1.661 -5.491 0.036) 5.737 3.605 ( 1.661 5.491 0.036) 5.737 3.765 ( 5.530 -5.638 -7.166) 10.664 3.765 ( 5.530 5.638 -7.166) 10.664 4.038 ( -0.914 -2.640 1.170) 3.029 4.038 ( -0.914 2.640 1.170) 3.029 4.283 ( -4.287 -0.459 1.523) 4.573 4.283 ( -4.287 0.459 1.523) 4.573 4.471 ( -2.585 -3.544 1.584) 4.664 4.471 ( -2.585 3.544 1.584) 4.664 4.664 ( -0.879 -3.541 -0.504) 3.683 4.664 ( -0.879 3.541 -0.504) 3.683 5.019 ( -4.323 -3.079 3.785) 6.519 5.019 ( -4.323 3.079 3.785) 6.519 5.280 ( 2.338 -3.956 -6.916) 8.304 5.280 ( 2.338 3.956 -6.916) 8.304 5.454 ( 1.893 -2.846 1.338) 3.670 5.454 ( 1.893 2.846 1.338) 3.670 5.580 ( 4.554 -3.477 -8.347) 10.124 5.580 ( 4.554 3.477 -8.347) 10.124 5.997 ( 0.771 -8.768 -4.658) 9.958 5.997 ( 0.771 8.768 -4.658) 9.958 6.291 ( -3.801 -3.909 3.308) 6.377 6.291 ( -3.801 3.909 3.308) 6.377 6.578 ( -0.811 -6.456 0.866) 6.564 6.578 ( -0.811 6.456 0.866) 6.564 6.754 ( 4.059 -4.847 5.211) 8.193 6.754 ( 4.059 4.847 5.211) 8.193 7.112 ( -2.338 -7.171 -4.319) 8.691 7.112 ( -2.338 7.171 -4.319) 8.691 7.447 ( -4.258 -6.848 7.435) 10.968 7.447 ( -4.258 6.848 7.435) 10.968 7.557 ( 4.218 -4.965 5.440) 8.487 7.557 ( 4.218 4.965 5.440) 8.487 7.933 ( -0.328 -5.239 -1.311) 5.411 7.933 ( -0.328 5.239 -1.311) 5.411 8.247 ( 1.416 -7.655 -5.331) 9.435 8.247 ( 1.416 7.655 -5.331) 9.435 8.782 ( -1.828 -1.780 -2.525) 3.589 8.782 ( -1.828 1.780 -2.525) 3.589 9.069 ( -1.381 -0.340 -2.501) 2.877 9.069 ( -1.381 0.340 -2.501) 2.877 9.892 ( -1.161 -7.147 -2.912) 7.804 9.892 ( -1.161 7.147 -2.912) 7.804 10.220 ( -1.761 -4.837 -1.720) 5.427 10.220 ( -1.761 4.837 -1.720) 5.427 10.568 ( -1.058 -12.983 2.937) 13.353 10.568 ( -1.058 12.983 2.937) 13.353 11.117 ( 2.927 -7.607 2.508) 8.527 11.117 ( 2.927 7.607 2.508) 8.527 11.810 ( -3.364 -4.354 1.306) 5.655 11.810 ( -3.364 4.354 1.306) 5.655 12.019 ( 1.573 -0.772 -0.869) 1.955 12.019 ( 1.573 0.772 -0.869) 1.955 12.520 ( -1.417 -3.215 -4.872) 6.007 12.520 ( -1.417 3.215 -4.872) 6.007 12.807 ( 0.793 -2.158 3.617) 4.286 12.807 ( 0.793 2.158 3.617) 4.286 13.019 ( 1.563 -8.162 6.147) 10.337 13.019 ( 1.563 8.162 6.147) 10.337 13.377 ( 5.414 -5.176 3.368) 8.212 13.377 ( 5.414 5.176 3.368) 8.212 14.013 ( 0.400 -16.505 -5.179) 17.303 14.013 ( 0.400 16.505 -5.179) 17.303 14.773 ( -4.178 -1.285 0.813) 4.446 14.773 ( -4.178 1.285 0.813) 4.446 15.091 ( -7.507 -7.154 5.751) 11.858 15.091 ( -7.507 7.154 5.751) 11.858 15.572 ( 0.516 -4.725 4.295) 6.407 15.572 ( 0.516 4.725 4.295) 6.407 16.440 ( 0.252 -0.233 -0.513) 0.617 16.440 ( 0.252 0.233 -0.513) 0.617 16.682 ( -0.282 -7.971 -2.993) 8.519 16.682 ( -0.282 7.971 -2.993) 8.519 16.968 ( 10.900 -4.561 0.235) 11.818 16.968 ( 10.900 4.561 0.235) 11.818 17.240 ( 5.547 -2.705 0.880) 6.234 17.240 ( 5.547 2.705 0.880) 6.234 17.556 ( -7.811 -4.239 4.404) 9.918 17.556 ( -7.811 4.239 4.404) 9.918 18.141 ( -2.951 -10.038 -4.469) 11.377 18.141 ( -2.951 10.038 -4.469) 11.377 18.429 ( 4.179 -11.545 0.706) 12.299 18.429 ( 4.179 11.545 0.706) 12.299 18.701 ( -4.478 -4.035 -3.566) 7.003 18.701 ( -4.478 4.035 -3.566) 7.003 18.998 ( -2.435 -6.605 -2.800) 7.576 18.998 ( -2.435 6.605 -2.800) 7.576 19.294 ( 1.380 -4.919 1.557) 5.341 19.294 ( 1.380 4.919 1.557) 5.341 19.439 ( -0.576 -1.041 2.036) 2.358 19.439 ( -0.576 1.041 2.036) 2.358 19.681 ( 1.820 -1.622 -0.543) 2.498 19.681 ( 1.820 1.622 -0.543) 2.498 19.925 ( 1.005 -5.210 -6.575) 8.450 19.925 ( 1.005 5.210 -6.575) 8.450 20.264 ( -0.800 -2.459 1.643) 3.064 20.264 ( -0.800 2.459 1.643) 3.064 20.709 ( 0.188 -2.564 0.054) 2.572 20.709 ( 0.188 2.564 0.054) 2.572 21.239 ( -0.730 -3.603 -6.183) 7.193 21.239 ( -0.730 3.603 -6.183) 7.193 22.000 ( -0.594 -1.412 2.956) 3.329 22.000 ( -0.594 1.412 2.956) 3.329 22.235 ( 2.369 -3.131 -4.709) 6.131 22.235 ( 2.369 3.131 -4.709) 6.131 23.278 ( 7.510 -2.932 -1.811) 8.263 23.278 ( 7.510 2.932 -1.811) 8.263 23.713 ( -0.389 -3.305 12.828) 13.252 23.713 ( -0.389 3.305 12.828) 13.252 24.207 ( -1.489 -1.740 -3.963) 4.577 24.207 ( -1.489 1.740 -3.963) 4.577 25.584 ( -6.215 -11.303 -4.155) 13.552 25.584 ( -6.215 11.303 -4.155) 13.552 26.102 ( -3.393 -11.668 2.458) 12.397 26.102 ( -3.393 11.668 2.458) 12.397 26.807 ( 2.047 -8.350 -2.390) 8.924 26.807 ( 2.047 8.350 -2.390) 8.924 26.982 ( -2.481 -0.755 -5.823) 6.374 26.982 ( -2.481 0.755 -5.823) 6.374 27.624 ( -4.143 -4.602 -5.303) 8.152 27.624 ( -4.143 4.602 -5.303) 8.152 28.009 ( 2.176 -7.111 2.440) 7.827 28.009 ( 2.176 7.111 2.440) 7.827 28.470 ( -4.294 -13.491 -7.222) 15.893 28.470 ( -4.294 13.491 -7.222) 15.893 29.084 ( 7.675 -3.282 1.898) 8.560 29.084 ( 7.675 3.282 1.898) 8.560 29.187 ( 3.273 -1.891 -3.186) 4.944 29.187 ( 3.273 1.891 -3.186) 4.944 29.583 ( -3.232 -3.703 5.682) 7.513 29.583 ( -3.232 3.703 5.682) 7.513 30.202 ( 2.717 -6.279 3.417) 7.647 30.202 ( 2.717 6.279 3.417) 7.647 31.614 ( -5.551 -4.775 0.990) 7.388 31.614 ( -5.551 4.775 0.990) 7.388 32.457 ( 1.272 -1.623 5.676) 6.038 32.457 ( 1.272 1.623 5.676) 6.038 32.534 ( -1.179 -8.211 1.148) 8.375 32.534 ( -1.179 8.211 1.148) 8.375 33.451 ( 8.660 -3.026 -6.691) 11.354 33.451 ( 8.660 3.026 -6.691) 11.354 33.910 ( -7.926 -4.193 4.744) 10.144 33.910 ( -7.926 4.193 4.744) 10.144 34.219 ( 6.191 -4.876 5.306) 9.500 34.219 ( 6.191 4.876 5.306) 9.500 38.206 ( -0.052 -1.379 1.704) 2.193 38.206 ( -0.052 1.379 1.704) 2.193 38.407 ( -1.657 -2.664 -1.231) 3.370 38.407 ( -1.657 2.664 -1.231) 3.370 38.745 ( 2.997 -1.232 3.973) 5.127 38.745 ( 2.997 1.232 3.973) 5.127 38.913 ( -0.145 -4.066 1.194) 4.240 38.913 ( -0.145 4.066 1.194) 4.240 39.432 ( 0.167 -4.284 -0.997) 4.401 39.432 ( 0.167 4.284 -0.997) 4.401 39.756 ( 1.306 -6.026 1.093) 6.262 39.756 ( 1.306 6.026 1.093) 6.262 40.311 ( -1.055 -7.207 4.595) 8.612 40.311 ( -1.055 7.207 4.595) 8.612 40.934 ( -2.870 -1.245 -0.461) 3.162 40.934 ( -2.870 1.245 -0.461) 3.162 41.054 ( 2.026 -1.541 -3.332) 4.193 41.054 ( 2.026 1.541 -3.332) 4.193 41.480 ( -5.470 -2.676 7.099) 9.353 41.480 ( -5.470 2.676 7.099) 9.353 42.195 ( -2.827 -1.548 -5.646) 6.501 42.195 ( -2.827 1.548 -5.646) 6.501 43.006 ( 9.958 -5.426 -2.455) 11.603 43.006 ( 9.958 5.426 -2.455) 11.603 ======================= Grid point 63 (33/78) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 10.262 -24.653 12.339) 29.416 1.698 ( 10.262 24.653 12.339) 29.416 1.962 ( 16.577 -21.310 8.669) 28.356 1.962 ( 16.577 21.310 8.669) 28.356 2.779 ( 14.487 -8.637 -2.212) 17.010 2.779 ( 14.487 8.637 -2.212) 17.010 3.023 ( 4.240 -6.503 -3.169) 8.385 3.023 ( 4.240 6.503 -3.169) 8.385 3.137 ( 11.333 -11.358 7.981) 17.920 3.137 ( 11.333 11.358 7.981) 17.920 3.623 ( 0.537 -4.723 -2.575) 5.406 3.623 ( 0.537 4.723 -2.575) 5.406 3.862 ( 4.037 -4.430 -5.542) 8.163 3.862 ( 4.037 4.430 -5.542) 8.163 4.017 ( -0.928 -4.496 4.708) 6.576 4.017 ( -0.928 4.496 4.708) 6.576 4.236 ( 1.383 -2.324 -0.425) 2.738 4.236 ( 1.383 2.324 -0.425) 2.738 4.452 ( 0.795 -3.611 -0.690) 3.762 4.452 ( 0.795 3.611 -0.690) 3.762 4.685 ( 2.338 -4.199 -0.358) 4.820 4.685 ( 2.338 4.199 -0.358) 4.820 4.973 ( -0.937 -4.053 -0.099) 4.161 4.973 ( -0.937 4.053 -0.099) 4.161 5.292 ( -0.595 -5.540 0.255) 5.578 5.292 ( -0.595 5.540 0.255) 5.578 5.493 ( 1.896 -3.036 0.271) 3.590 5.493 ( 1.896 3.036 0.271) 3.590 5.651 ( 6.949 -1.079 -8.338) 10.908 5.651 ( 6.949 1.079 -8.338) 10.908 5.990 ( 1.165 -7.691 -2.993) 8.335 5.990 ( 1.165 7.691 -2.993) 8.335 6.235 ( -2.695 -3.756 -1.933) 5.011 6.235 ( -2.695 3.756 -1.933) 5.011 6.494 ( -7.937 -5.914 2.044) 10.107 6.494 ( -7.937 5.914 2.044) 10.107 6.816 ( -0.886 -4.180 3.300) 5.399 6.816 ( -0.886 4.180 3.300) 5.399 7.062 ( -1.396 -6.463 0.536) 6.633 7.062 ( -1.396 6.463 0.536) 6.633 7.368 ( -5.743 -4.634 8.464) 11.230 7.368 ( -5.743 4.634 8.464) 11.230 7.643 ( 1.430 -3.335 0.918) 3.743 7.643 ( 1.430 3.335 0.918) 3.743 7.875 ( -2.679 -2.702 -2.093) 4.343 7.875 ( -2.679 2.702 -2.093) 4.343 8.143 ( -6.503 -6.243 -3.870) 9.810 8.143 ( -6.503 6.243 -3.870) 9.810 8.856 ( 7.646 -2.698 -2.159) 8.390 8.856 ( 7.646 2.698 -2.159) 8.390 9.066 ( 2.918 -2.199 -2.706) 4.547 9.066 ( 2.918 2.199 -2.706) 4.547 9.935 ( 6.477 -8.018 -0.724) 10.333 9.935 ( 6.477 8.018 -0.724) 10.333 10.227 ( 3.305 -5.083 -3.077) 6.799 10.227 ( 3.305 5.083 -3.077) 6.799 10.598 ( 2.779 -9.312 1.687) 9.863 10.598 ( 2.779 9.312 1.687) 9.863 11.185 ( 2.531 -8.733 2.936) 9.554 11.185 ( 2.531 8.733 2.936) 9.554 11.735 ( -4.832 -3.558 0.591) 6.029 11.735 ( -4.832 3.558 0.591) 6.029 12.041 ( 1.077 -2.209 0.919) 2.624 12.041 ( 1.077 2.209 0.919) 2.624 12.483 ( -0.567 -3.285 -3.219) 4.634 12.483 ( -0.567 3.285 -3.219) 4.634 12.818 ( 0.382 -0.762 0.308) 0.907 12.818 ( 0.382 0.762 0.308) 0.907 13.123 ( 4.444 -7.068 8.413) 11.852 13.123 ( 4.444 7.068 8.413) 11.852 13.519 ( 5.266 -3.760 6.452) 9.137 13.519 ( 5.266 3.760 6.452) 9.137 13.961 ( -3.183 -14.488 -7.674) 16.701 13.961 ( -3.183 14.488 -7.674) 16.701 14.681 ( -4.870 -7.714 -1.815) 9.301 14.681 ( -4.870 7.714 -1.815) 9.301 14.898 ( -11.234 -5.029 4.618) 13.146 14.898 ( -11.234 5.029 4.618) 13.146 15.623 ( -1.395 -6.203 5.046) 8.117 15.623 ( -1.395 6.203 5.046) 8.117 16.413 ( -2.766 -4.173 -1.397) 5.198 16.413 ( -2.766 4.173 -1.397) 5.198 16.623 ( -5.358 -4.077 -1.330) 6.863 16.623 ( -5.358 4.077 -1.330) 6.863 16.984 ( -11.535 -3.785 2.886) 12.478 16.984 ( -11.535 3.785 2.886) 12.478 17.338 ( 0.268 -5.797 3.058) 6.559 17.338 ( 0.268 5.797 3.058) 6.559 17.480 ( 6.672 -10.023 1.902) 12.190 17.480 ( 6.672 10.023 1.902) 12.190 18.023 ( -4.000 -10.177 -5.634) 12.301 18.023 ( -4.000 10.177 -5.634) 12.301 18.432 ( -9.460 -8.862 -0.366) 12.968 18.432 ( -9.460 8.862 -0.366) 12.968 18.628 ( 4.295 -4.603 -1.887) 6.572 18.628 ( 4.295 4.603 -1.887) 6.572 19.049 ( 6.105 -9.999 -2.466) 11.972 19.049 ( 6.105 9.999 -2.466) 11.972 19.352 ( 2.566 -5.906 -1.010) 6.518 19.352 ( 2.566 5.906 -1.010) 6.518 19.469 ( 2.820 -2.189 2.810) 4.543 19.469 ( 2.820 2.189 2.810) 4.543 19.724 ( 2.947 -1.575 0.038) 3.341 19.724 ( 2.947 1.575 0.038) 3.341 19.909 ( 1.186 -5.663 -6.996) 9.078 19.909 ( 1.186 5.663 -6.996) 9.078 20.212 ( -5.428 -2.942 0.533) 6.197 20.212 ( -5.428 2.942 0.533) 6.197 20.741 ( 3.640 -3.827 -0.349) 5.293 20.741 ( 3.640 3.827 -0.349) 5.293 21.174 ( -2.064 -5.844 -5.420) 8.234 21.174 ( -2.064 5.844 -5.420) 8.234 22.003 ( -0.782 -2.270 2.502) 3.468 22.003 ( -0.782 2.270 2.502) 3.468 22.233 ( -0.474 -3.727 -2.957) 4.781 22.233 ( -0.474 3.727 -2.957) 4.781 23.132 ( -18.098 -3.047 -1.049) 18.383 23.132 ( -18.098 3.047 -1.049) 18.383 23.603 ( -15.363 -4.977 11.682) 19.931 23.603 ( -15.363 4.977 11.682) 19.931 24.394 ( 17.352 -1.763 -1.525) 17.508 24.394 ( 17.352 1.763 -1.525) 17.508 25.521 ( 1.581 -8.707 -4.315) 9.846 25.521 ( 1.581 8.707 -4.315) 9.846 26.081 ( 1.765 -11.405 -2.624) 11.836 26.081 ( 1.765 11.405 -2.624) 11.836 26.777 ( -0.404 -6.322 -7.064) 9.488 26.777 ( -0.404 6.322 -7.064) 9.488 27.027 ( 6.187 -2.247 3.291) 7.359 27.027 ( 6.187 2.247 3.291) 7.359 27.511 ( -4.002 -3.668 -2.638) 6.035 27.511 ( -4.002 3.668 -2.638) 6.035 28.031 ( -0.378 -3.255 3.434) 4.747 28.031 ( -0.378 3.255 3.434) 4.747 28.426 ( 0.793 -10.096 -2.669) 10.473 28.426 ( 0.793 10.096 -2.669) 10.473 29.133 ( 1.254 -3.269 -2.075) 4.070 29.133 ( 1.254 3.269 -2.075) 4.070 29.333 ( 8.787 -1.376 -3.825) 9.682 29.333 ( 8.787 1.376 -3.825) 9.682 29.654 ( 8.422 -2.366 3.313) 9.355 29.654 ( 8.422 2.366 3.313) 9.355 30.415 ( 14.876 -10.853 1.505) 18.476 30.415 ( 14.876 10.853 1.505) 18.476 31.489 ( -7.207 -5.934 0.945) 9.383 31.489 ( -7.207 5.934 0.945) 9.383 32.365 ( -10.792 -8.765 -2.088) 14.059 32.365 ( -10.792 8.765 -2.088) 14.059 32.611 ( 5.448 -1.338 8.050) 9.812 32.611 ( 5.448 1.338 8.050) 9.812 33.530 ( 2.086 -5.377 -5.780) 8.165 33.530 ( 2.086 5.377 -5.780) 8.165 33.772 ( -8.260 -4.588 6.853) 11.672 33.772 ( -8.260 4.588 6.853) 11.672 34.324 ( 1.887 -2.989 1.696) 3.921 34.324 ( 1.887 2.989 1.696) 3.921 38.120 ( -6.573 -2.610 0.126) 7.074 38.120 ( -6.573 2.610 0.126) 7.074 38.423 ( 2.453 -3.643 -0.603) 4.433 38.423 ( 2.453 3.643 -0.603) 4.433 38.754 ( -3.667 -2.585 4.834) 6.595 38.754 ( -3.667 2.585 4.834) 6.595 38.976 ( 3.557 -5.069 3.032) 6.895 38.976 ( 3.557 5.069 3.032) 6.895 39.451 ( 0.489 -7.000 1.577) 7.192 39.451 ( 0.489 7.000 1.577) 7.192 39.721 ( -3.721 -8.122 -5.907) 10.710 39.721 ( -3.721 8.122 -5.907) 10.710 40.352 ( 3.206 -11.369 7.770) 14.139 40.352 ( 3.206 11.369 7.770) 14.139 40.868 ( -3.533 -3.085 -3.572) 5.896 40.868 ( -3.533 3.085 -3.572) 5.896 41.039 ( -1.406 -5.136 1.947) 5.670 41.039 ( -1.406 5.136 1.947) 5.670 41.381 ( -5.164 -0.680 3.548) 6.302 41.381 ( -5.164 0.680 3.548) 6.302 42.192 ( 3.183 -5.566 -4.106) 7.614 42.192 ( 3.183 5.566 -4.106) 7.614 43.213 ( 10.944 -14.292 -3.268) 18.295 43.213 ( 10.944 14.292 -3.268) 18.295 ======================= Grid point 65 (34/78) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 11.621 -18.070 11.093) 24.179 1.960 ( 11.621 18.070 11.093) 24.179 2.310 ( 14.398 -11.692 5.604) 19.376 2.310 ( 14.398 11.692 5.604) 19.376 2.985 ( 7.599 -0.530 -0.098) 7.618 2.985 ( 7.599 0.530 -0.098) 7.618 3.081 ( 2.801 -8.119 -5.443) 10.168 3.081 ( 2.801 8.119 -5.443) 10.168 3.411 ( 5.296 -2.323 2.751) 6.404 3.411 ( 5.296 2.323 2.751) 6.404 3.596 ( 0.013 -1.677 -6.009) 6.238 3.596 ( 0.013 1.677 -6.009) 6.238 3.885 ( 0.961 -3.725 0.777) 3.924 3.885 ( 0.961 3.725 0.777) 3.924 4.004 ( -3.186 -4.923 5.931) 8.340 4.004 ( -3.186 4.923 5.931) 8.340 4.316 ( 4.249 -5.545 -2.832) 7.538 4.316 ( 4.249 5.545 -2.832) 7.538 4.562 ( 8.452 -3.674 -1.862) 9.402 4.562 ( 8.452 3.674 -1.862) 9.402 4.765 ( 9.193 -1.345 1.071) 9.352 4.765 ( 9.193 1.345 1.071) 9.352 4.967 ( 0.495 -5.523 -0.478) 5.565 4.967 ( 0.495 5.523 -0.478) 5.565 5.254 ( -3.474 -6.770 3.078) 8.208 5.254 ( -3.474 6.770 3.078) 8.208 5.533 ( 2.350 -3.249 -3.681) 5.443 5.533 ( 2.350 3.249 -3.681) 5.443 5.745 ( 5.023 -4.266 -4.472) 7.964 5.745 ( 5.023 4.266 -4.472) 7.964 5.996 ( 2.878 -6.236 -4.576) 8.253 5.996 ( 2.878 6.236 -4.576) 8.253 6.195 ( 0.593 -4.065 -2.120) 4.623 6.195 ( 0.593 4.065 -2.120) 4.623 6.344 ( -7.745 -4.547 1.708) 9.142 6.344 ( -7.745 4.547 1.708) 9.142 6.764 ( -4.882 -7.023 2.696) 8.968 6.764 ( -4.882 7.023 2.696) 8.968 7.046 ( -1.573 -2.704 3.343) 4.578 7.046 ( -1.573 2.704 3.343) 4.578 7.356 ( -0.221 -4.235 6.673) 7.906 7.356 ( -0.221 4.235 6.673) 7.906 7.630 ( -1.509 -1.477 -2.147) 3.011 7.630 ( -1.509 1.477 -2.147) 3.011 7.827 ( -4.311 -5.807 0.679) 7.264 7.827 ( -4.311 5.807 0.679) 7.264 8.088 ( 6.622 -4.006 -3.295) 8.412 8.088 ( 6.622 4.006 -3.295) 8.412 8.979 ( 5.572 -1.763 -0.524) 5.867 8.979 ( 5.572 1.763 -0.524) 5.867 9.167 ( 8.200 -7.016 -1.820) 10.944 9.167 ( 8.200 7.016 -1.820) 10.944 10.105 ( 9.364 -8.360 1.912) 12.698 10.105 ( 9.364 8.360 1.912) 12.698 10.297 ( 5.445 -4.109 -2.990) 7.448 10.297 ( 5.445 4.109 -2.990) 7.448 10.674 ( 4.201 -5.416 -1.143) 6.949 10.674 ( 4.201 5.416 -1.143) 6.949 11.242 ( 1.857 -10.222 1.429) 10.487 11.242 ( 1.857 10.222 1.429) 10.487 11.625 ( -7.009 -1.060 0.842) 7.138 11.625 ( -7.009 1.060 0.842) 7.138 12.085 ( 3.170 -3.412 1.270) 4.827 12.085 ( 3.170 3.412 1.270) 4.827 12.450 ( -1.867 -2.849 -0.562) 3.452 12.450 ( -1.867 2.849 -0.562) 3.452 12.842 ( 2.063 -0.230 -1.204) 2.399 12.842 ( 2.063 0.230 -1.204) 2.399 13.252 ( 3.275 -4.443 8.803) 10.390 13.252 ( 3.275 4.443 8.803) 10.390 13.575 ( -5.566 -2.068 2.423) 6.413 13.575 ( -5.566 2.068 2.423) 6.413 13.824 ( -3.911 -11.242 -4.493) 12.723 13.824 ( -3.911 11.242 -4.493) 12.723 14.601 ( -1.898 -17.952 -0.643) 18.063 14.601 ( -1.898 17.952 -0.643) 18.063 14.768 ( -3.458 -3.491 0.806) 4.979 14.768 ( -3.458 3.491 0.806) 4.979 15.466 ( -19.621 -3.656 7.789) 21.425 15.466 ( -19.621 3.656 7.789) 21.425 16.323 ( -6.815 -8.073 -2.614) 10.884 16.323 ( -6.815 8.073 -2.614) 10.884 16.393 ( -9.943 -1.285 -0.919) 10.068 16.393 ( -9.943 1.285 -0.919) 10.068 16.880 ( 0.743 -6.103 -1.207) 6.265 16.880 ( 0.743 6.103 -1.207) 6.265 17.317 ( -5.337 -3.253 4.149) 7.502 17.317 ( -5.337 3.253 4.149) 7.502 17.677 ( 8.462 -12.083 3.679) 15.204 17.677 ( 8.462 12.083 3.679) 15.204 17.927 ( -6.113 -9.220 1.972) 11.237 17.927 ( -6.113 9.220 1.972) 11.237 18.241 ( -1.335 -10.274 -8.061) 13.127 18.241 ( -1.335 10.274 -8.061) 13.127 18.780 ( 8.983 -3.920 0.792) 9.833 18.780 ( 8.983 3.920 0.792) 9.833 19.111 ( 0.666 -7.876 -1.736) 8.092 19.111 ( 0.666 7.876 -1.736) 8.092 19.379 ( 1.680 -2.223 -2.429) 3.696 19.379 ( 1.680 2.223 -2.429) 3.696 19.547 ( 3.080 -2.095 2.458) 4.463 19.547 ( 3.080 2.095 2.458) 4.463 19.793 ( 4.258 -5.559 -1.793) 7.228 19.793 ( 4.258 5.559 -1.793) 7.228 19.899 ( 0.687 -3.771 -4.628) 6.009 19.899 ( 0.687 3.771 -4.628) 6.009 20.083 ( -6.301 -0.658 -0.663) 6.370 20.083 ( -6.301 0.658 -0.663) 6.370 20.858 ( 8.738 -6.408 -1.731) 10.973 20.858 ( 8.738 6.408 -1.731) 10.973 21.101 ( -3.318 -6.422 -4.333) 8.428 21.101 ( -3.318 6.422 -4.333) 8.428 21.988 ( -1.917 -2.685 1.778) 3.748 21.988 ( -1.917 2.685 1.778) 3.748 22.179 ( -4.479 -2.771 -1.450) 5.463 22.179 ( -4.479 2.771 -1.450) 5.463 22.728 ( -20.238 -0.521 -0.332) 20.247 22.728 ( -20.238 0.521 -0.332) 20.247 23.317 ( -16.938 -9.181 5.556) 20.051 23.317 ( -16.938 9.181 5.556) 20.051 24.714 ( 14.391 -3.009 -0.037) 14.703 24.714 ( 14.391 3.009 -0.037) 14.703 25.558 ( 1.534 -6.669 3.277) 7.588 25.558 ( 1.534 6.669 3.277) 7.588 26.155 ( 7.868 -7.006 -5.327) 11.806 26.155 ( 7.868 7.006 -5.327) 11.806 26.764 ( 2.130 -4.588 -4.193) 6.570 26.764 ( 2.130 4.588 -4.193) 6.570 27.170 ( 5.163 -7.735 1.853) 9.482 27.170 ( 5.163 7.735 1.853) 9.482 27.467 ( 0.305 -1.303 0.986) 1.663 27.467 ( 0.305 1.303 0.986) 1.663 28.041 ( -1.298 -2.575 5.841) 6.514 28.041 ( -1.298 2.575 5.841) 6.514 28.435 ( 1.507 -9.944 -2.967) 10.486 28.435 ( 1.507 9.944 -2.967) 10.486 29.135 ( 1.392 -4.247 -5.667) 7.217 29.135 ( 1.392 4.247 -5.667) 7.217 29.478 ( 7.529 -2.584 -1.325) 8.070 29.478 ( 7.529 2.584 -1.325) 8.070 29.916 ( 15.683 -1.218 2.442) 15.919 29.916 ( 15.683 1.218 2.442) 15.919 30.714 ( 14.268 -9.371 1.697) 17.154 30.714 ( 14.268 9.371 1.697) 17.154 31.361 ( -5.273 -6.307 -2.012) 8.464 31.361 ( -5.273 6.307 -2.012) 8.464 32.089 ( -15.462 -8.959 -2.301) 18.018 32.089 ( -15.462 8.959 -2.301) 18.018 32.758 ( 4.490 -1.477 7.907) 9.212 32.758 ( 4.490 1.477 7.907) 9.212 33.444 ( -8.001 -5.282 -1.852) 9.764 33.444 ( -8.001 5.282 -1.852) 9.764 33.709 ( -0.891 -3.285 2.181) 4.043 33.709 ( -0.891 3.285 2.181) 4.043 34.313 ( -2.557 -2.650 -1.248) 3.888 34.313 ( -2.557 2.650 -1.248) 3.888 38.023 ( -2.738 -2.212 -1.049) 3.673 38.023 ( -2.738 2.212 -1.049) 3.673 38.451 ( -0.115 -3.381 -0.023) 3.383 38.451 ( -0.115 3.381 -0.023) 3.383 38.684 ( -5.067 -3.789 3.254) 7.115 38.684 ( -5.067 3.789 3.254) 7.115 39.037 ( -0.010 -2.404 6.481) 6.912 39.037 ( -0.010 2.404 6.481) 6.912 39.396 ( -6.287 -8.981 -1.105) 11.018 39.396 ( -6.287 8.981 -1.105) 11.018 39.662 ( 1.990 -1.728 -3.233) 4.171 39.662 ( 1.990 1.728 -3.233) 4.171 40.498 ( 6.700 -11.288 6.104) 14.477 40.498 ( 6.700 11.288 6.104) 14.477 40.749 ( -5.933 -1.361 -4.965) 7.856 40.749 ( -5.933 1.361 -4.965) 7.856 41.056 ( 0.911 -4.874 3.983) 6.360 41.056 ( 0.911 4.874 3.983) 6.360 41.345 ( -0.476 -4.076 3.527) 5.411 41.345 ( -0.476 4.076 3.527) 5.411 42.227 ( 2.044 -6.054 -2.978) 7.050 42.227 ( 2.044 6.054 -2.978) 7.050 43.365 ( 7.242 -14.883 -6.479) 17.775 43.365 ( 7.242 14.883 -6.479) 17.775 ======================= Grid point 67 (35/78) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 10.304 -10.013 6.856) 15.920 2.237 ( 10.304 10.013 6.856) 15.920 2.555 ( 7.953 -5.824 2.960) 10.293 2.555 ( 7.953 5.824 2.960) 10.293 3.039 ( -0.569 -4.256 -2.821) 5.137 3.039 ( -0.569 4.256 -2.821) 5.137 3.134 ( 3.791 -2.559 -3.230) 5.600 3.134 ( 3.791 2.559 -3.230) 5.600 3.375 ( -4.898 -4.687 -2.601) 7.261 3.375 ( -4.898 4.687 -2.601) 7.261 3.575 ( 0.585 -5.012 -2.290) 5.541 3.575 ( 0.585 5.012 -2.290) 5.541 3.869 ( -2.422 -8.830 3.441) 9.781 3.869 ( -2.422 8.830 3.441) 9.781 3.986 ( -2.220 -5.219 5.269) 7.741 3.986 ( -2.220 5.219 5.269) 7.741 4.347 ( 1.046 -6.326 -3.282) 7.203 4.347 ( 1.046 6.326 -3.282) 7.203 4.636 ( 3.567 -3.220 -3.171) 5.757 4.636 ( 3.567 3.220 -3.171) 5.757 4.869 ( -1.390 -5.144 -1.421) 5.515 4.869 ( -1.390 5.144 -1.421) 5.515 5.073 ( 0.547 -6.350 4.282) 7.679 5.073 ( 0.547 6.350 4.282) 7.679 5.255 ( 5.525 -6.701 4.722) 9.886 5.255 ( 5.525 6.701 4.722) 9.886 5.511 ( 0.662 -7.306 -6.494) 9.797 5.511 ( 0.662 7.306 -6.494) 9.797 5.797 ( 3.635 -3.962 -5.585) 7.752 5.797 ( 3.635 3.962 -5.585) 7.752 6.117 ( 7.008 -2.720 -1.088) 7.596 6.117 ( 7.008 2.720 -1.088) 7.596 6.180 ( -2.764 -1.582 -4.441) 5.465 6.180 ( -2.764 1.582 -4.441) 5.465 6.257 ( 0.488 -3.929 4.010) 5.635 6.257 ( 0.488 3.929 4.010) 5.635 6.714 ( 0.059 -9.920 2.011) 10.122 6.714 ( 0.059 9.920 2.011) 10.122 7.046 ( 0.407 -2.461 1.352) 2.837 7.046 ( 0.407 2.461 1.352) 2.837 7.374 ( -2.290 -7.180 6.110) 9.702 7.374 ( -2.290 7.180 6.110) 9.702 7.556 ( -6.166 -2.936 -0.233) 6.833 7.556 ( -6.166 2.936 -0.233) 6.833 7.745 ( -2.716 -6.603 2.623) 7.607 7.745 ( -2.716 6.603 2.623) 7.607 8.318 ( 14.537 -7.277 -3.951) 16.730 8.318 ( 14.537 7.277 -3.951) 16.730 9.090 ( 6.673 -2.979 -1.500) 7.460 9.090 ( 6.673 2.979 -1.500) 7.460 9.321 ( 7.084 -7.089 0.404) 10.030 9.321 ( 7.084 7.089 0.404) 10.030 10.257 ( 4.099 -7.693 1.751) 8.891 10.257 ( 4.099 7.693 1.751) 8.891 10.431 ( 9.787 -2.901 -0.237) 10.211 10.431 ( 9.787 2.901 -0.237) 10.211 10.713 ( -0.129 -2.425 -3.891) 4.587 10.713 ( -0.129 2.425 -3.891) 4.587 11.261 ( -0.107 -10.700 -1.079) 10.754 11.261 ( -0.107 10.700 -1.079) 10.754 11.492 ( -6.184 -2.392 3.007) 7.281 11.492 ( -6.184 2.392 3.007) 7.281 12.175 ( 5.207 -5.235 -0.508) 7.401 12.175 ( 5.207 5.235 -0.508) 7.401 12.419 ( -1.070 -1.428 1.689) 2.457 12.419 ( -1.070 1.428 1.689) 2.457 12.833 ( -5.222 -1.337 -0.898) 5.464 12.833 ( -5.222 1.337 -0.898) 5.464 13.281 ( -5.192 -2.724 1.641) 6.089 13.281 ( -5.192 2.724 1.641) 6.089 13.396 ( -3.678 -2.409 -1.241) 4.568 13.396 ( -3.678 2.409 -1.241) 4.568 13.824 ( 1.248 -7.112 5.684) 9.189 13.824 ( 1.248 7.112 5.684) 9.189 14.569 ( -2.873 -20.994 -0.387) 21.193 14.569 ( -2.873 20.994 -0.387) 21.193 14.780 ( 4.675 -4.635 -2.197) 6.940 14.780 ( 4.675 4.635 -2.197) 6.940 15.048 ( -22.461 -3.746 8.477) 24.298 15.048 ( -22.461 3.746 8.477) 24.298 16.173 ( -4.730 -9.315 -2.800) 10.816 16.173 ( -4.730 9.315 -2.800) 10.816 16.321 ( 0.184 -2.841 -3.074) 4.190 16.321 ( 0.184 2.841 -3.074) 4.190 16.873 ( -1.930 -8.037 -2.763) 8.715 16.873 ( -1.930 8.037 -2.763) 8.715 17.193 ( -7.619 -0.863 5.142) 9.232 17.193 ( -7.619 0.863 5.142) 9.232 17.660 ( -9.543 -6.580 7.577) 13.849 17.660 ( -9.543 6.580 7.577) 13.849 18.006 ( 10.673 -7.664 3.195) 13.522 18.006 ( 10.673 7.664 3.195) 13.522 18.311 ( 9.975 -9.651 -8.985) 16.534 18.311 ( 9.975 9.651 -8.985) 16.534 18.872 ( -2.493 -3.180 0.339) 4.055 18.872 ( -2.493 3.180 0.339) 4.055 19.137 ( 5.897 -4.443 -1.777) 7.594 19.137 ( 5.897 4.443 -1.777) 7.594 19.381 ( -0.329 -3.757 -2.890) 4.752 19.381 ( -0.329 3.757 -2.890) 4.752 19.610 ( 2.048 -4.153 1.954) 5.026 19.610 ( 2.048 4.153 1.954) 5.026 19.823 ( -0.377 -5.177 -4.553) 6.905 19.823 ( -0.377 5.177 -4.553) 6.905 19.917 ( 3.993 -5.981 0.052) 7.192 19.917 ( 3.993 5.981 0.052) 7.192 20.001 ( -2.544 -5.253 0.137) 5.838 20.001 ( -2.544 5.253 0.137) 5.838 20.936 ( -4.604 -3.748 -6.993) 9.174 20.936 ( -4.604 3.748 -6.993) 9.174 21.091 ( 9.976 -9.079 -2.238) 13.673 21.091 ( 9.976 9.079 -2.238) 13.673 21.955 ( -2.176 -2.956 1.596) 4.002 21.955 ( -2.176 2.956 1.596) 4.002 22.019 ( -11.074 -3.410 0.130) 11.588 22.019 ( -11.074 3.410 0.130) 11.588 22.428 ( -9.702 -3.143 -0.390) 10.206 22.428 ( -9.702 3.143 -0.390) 10.206 23.062 ( -9.989 -11.790 0.166) 15.454 23.062 ( -9.989 11.790 0.166) 15.454 24.927 ( 7.386 -4.846 -0.361) 8.842 24.927 ( 7.386 4.846 -0.361) 8.842 25.596 ( -0.728 -9.641 8.423) 12.823 25.596 ( -0.728 9.641 8.423) 12.823 26.307 ( 8.979 -3.971 -1.994) 10.019 26.307 ( 8.979 3.971 -1.994) 10.019 26.812 ( 4.716 -4.527 -3.149) 7.256 26.812 ( 4.716 4.527 -3.149) 7.256 27.213 ( -0.922 -12.412 1.932) 12.595 27.213 ( -0.922 12.412 1.932) 12.595 27.515 ( 2.623 -3.588 0.247) 4.451 27.515 ( 2.623 3.588 0.247) 4.451 28.017 ( -5.436 -1.956 7.011) 9.084 28.017 ( -5.436 1.956 7.011) 9.084 28.471 ( 4.557 -8.563 -3.899) 10.454 28.471 ( 4.557 8.563 -3.899) 10.454 29.135 ( 1.793 -3.266 -6.264) 7.289 29.135 ( 1.793 3.266 -6.264) 7.289 29.596 ( 4.563 -1.716 -0.060) 4.875 29.596 ( 4.563 1.716 -0.060) 4.875 30.229 ( 13.551 -4.558 3.650) 14.756 30.229 ( 13.551 4.558 3.650) 14.756 30.953 ( 4.943 -5.165 9.207) 11.657 30.953 ( 4.943 5.165 9.207) 11.657 31.297 ( 3.702 -11.088 -10.055) 15.419 31.297 ( 3.702 11.088 -10.055) 15.419 31.781 ( -13.308 -8.605 -2.425) 16.033 31.781 ( -13.308 8.605 -2.425) 16.033 32.839 ( -0.938 -0.858 7.253) 7.364 32.839 ( -0.938 0.858 7.253) 7.364 33.268 ( -7.675 -3.784 -1.947) 8.776 33.268 ( -7.675 3.784 -1.947) 8.776 33.730 ( 2.065 -1.770 0.149) 2.724 33.730 ( 2.065 1.770 0.149) 2.724 34.238 ( -3.346 -4.168 -2.759) 6.015 34.238 ( -3.346 4.168 -2.759) 6.015 38.006 ( 1.345 -1.721 -0.779) 2.319 38.006 ( 1.345 1.721 -0.779) 2.319 38.401 ( -4.457 -2.396 -1.138) 5.187 38.401 ( -4.457 2.396 -1.138) 5.187 38.616 ( -3.077 -5.197 1.385) 6.196 38.616 ( -3.077 5.197 1.385) 6.196 39.045 ( -2.509 -5.250 5.980) 8.344 39.045 ( -2.509 5.250 5.980) 8.344 39.292 ( -2.393 -5.906 -0.324) 6.381 39.292 ( -2.393 5.906 -0.324) 6.381 39.719 ( 3.079 -1.703 2.617) 4.385 39.719 ( 3.079 1.703 2.617) 4.385 40.591 ( -5.229 -0.658 -5.899) 7.910 40.591 ( -5.229 0.658 -5.899) 7.910 40.645 ( 4.164 -8.183 0.214) 9.183 40.645 ( 4.164 8.183 0.214) 9.183 41.093 ( 0.841 -3.398 3.177) 4.727 41.093 ( 0.841 3.398 3.177) 4.727 41.385 ( 1.027 -6.317 6.905) 9.414 41.385 ( 1.027 6.317 6.905) 9.414 42.243 ( 1.169 -1.640 -1.855) 2.738 42.243 ( 1.169 1.640 -1.855) 2.738 43.431 ( 3.917 -11.631 -9.109) 15.284 43.431 ( 3.917 11.631 -9.109) 15.284 ======================= Grid point 69 (36/78) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -4.593 -4.888 -0.433) 6.721 2.327 ( -4.593 4.888 -0.433) 6.721 2.658 ( 0.437 -2.240 4.474) 5.023 2.658 ( 0.437 2.240 4.474) 5.023 3.012 ( -1.355 -2.821 -4.582) 5.549 3.012 ( -1.355 2.821 -4.582) 5.549 3.151 ( 3.702 -9.071 -5.353) 11.164 3.151 ( 3.702 9.071 -5.353) 11.164 3.275 ( -1.768 -4.470 -1.864) 5.155 3.275 ( -1.768 4.470 -1.864) 5.155 3.592 ( -0.028 -3.938 0.009) 3.938 3.592 ( -0.028 3.938 0.009) 3.938 3.858 ( -1.663 -8.047 4.403) 9.322 3.858 ( -1.663 8.047 4.403) 9.322 3.966 ( -2.855 -5.607 6.488) 9.038 3.966 ( -2.855 5.607 6.488) 9.038 4.370 ( 3.427 -4.970 -2.291) 6.458 4.370 ( 3.427 4.970 -2.291) 6.458 4.709 ( 3.134 -2.559 0.465) 4.073 4.709 ( 3.134 2.559 0.465) 4.073 4.810 ( -0.826 -6.797 -3.780) 7.821 4.810 ( -0.825 6.797 -3.780) 7.821 5.016 ( -3.010 -4.184 1.018) 5.254 5.016 ( -3.010 4.184 1.018) 5.254 5.301 ( -3.739 -2.336 2.256) 4.953 5.301 ( -3.739 2.336 2.256) 4.953 5.617 ( 7.582 -6.266 -1.194) 9.909 5.617 ( 7.582 6.266 -1.194) 9.909 5.802 ( 1.182 -1.902 -7.684) 8.003 5.802 ( 1.182 1.902 -7.684) 8.003 6.116 ( -0.204 -2.941 -5.390) 6.144 6.116 ( -0.204 2.941 -5.390) 6.144 6.137 ( -2.135 -3.368 -0.554) 4.025 6.137 ( -2.135 3.368 -0.554) 4.025 6.350 ( 3.361 -5.454 8.607) 10.729 6.350 ( 3.361 5.454 8.607) 10.729 6.805 ( 7.751 -5.879 -3.568) 10.362 6.805 ( 7.751 5.879 -3.568) 10.362 7.061 ( -1.946 -4.168 6.753) 8.170 7.061 ( -1.946 4.168 6.753) 8.170 7.281 ( -10.340 -11.070 4.762) 15.879 7.281 ( -10.340 11.070 4.762) 15.879 7.459 ( -1.453 -3.723 -1.493) 4.266 7.459 ( -1.453 3.723 -1.493) 4.266 7.730 ( -1.043 -3.151 1.238) 3.542 7.730 ( -1.043 3.151 1.238) 3.542 8.473 ( 1.269 -7.339 -2.446) 7.840 8.473 ( 1.269 7.339 -2.446) 7.840 9.197 ( 4.115 -2.779 -2.230) 5.443 9.197 ( 4.115 2.779 -2.230) 5.443 9.407 ( 0.512 -6.035 1.133) 6.162 9.407 ( 0.512 6.035 1.133) 6.162 10.288 ( -1.021 -6.443 1.434) 6.679 10.288 ( -1.021 6.443 1.434) 6.679 10.593 ( -5.075 -4.278 0.375) 6.648 10.593 ( -5.075 4.278 0.375) 6.648 10.661 ( 8.482 -4.800 -2.725) 10.120 10.661 ( 8.482 4.800 -2.725) 10.120 11.211 ( -3.615 -9.228 -3.579) 10.537 11.211 ( -3.615 9.228 -3.579) 10.537 11.489 ( 3.064 -3.439 6.375) 7.865 11.489 ( 3.064 3.439 6.375) 7.865 12.242 ( 1.175 -3.771 -1.555) 4.245 12.242 ( 1.175 3.771 -1.555) 4.245 12.381 ( -6.876 -0.888 0.218) 6.937 12.381 ( -6.876 0.888 0.218) 6.937 12.676 ( -1.722 -4.562 -2.542) 5.499 12.676 ( -1.722 4.562 -2.542) 5.499 13.237 ( -1.432 -3.160 0.241) 3.477 13.237 ( -1.432 3.160 0.241) 3.477 13.403 ( 4.412 -2.910 -1.079) 5.394 13.403 ( 4.412 2.910 -1.079) 5.394 13.910 ( 3.197 -9.907 9.208) 13.898 13.910 ( 3.197 9.907 9.208) 13.898 14.459 ( -6.046 -15.704 -0.398) 16.833 14.459 ( -6.046 15.704 -0.398) 16.833 14.777 ( -4.152 -6.771 3.834) 8.819 14.777 ( -4.152 6.771 3.834) 8.819 14.921 ( 4.865 -7.892 0.642) 9.293 14.921 ( 4.865 7.892 0.642) 9.293 16.110 ( 0.182 -7.021 -3.149) 7.697 16.110 ( 0.182 7.021 -3.149) 7.697 16.345 ( 4.252 -4.034 -4.239) 7.233 16.345 ( 4.252 4.034 -4.239) 7.233 16.797 ( -3.192 -6.204 -1.863) 7.222 16.797 ( -3.192 6.204 -1.863) 7.222 17.119 ( -3.835 -3.491 5.888) 7.846 17.119 ( -3.835 3.491 5.888) 7.846 17.544 ( -4.576 -3.821 2.343) 6.405 17.544 ( -4.576 3.821 2.343) 6.405 18.167 ( 0.084 -2.919 6.453) 7.084 18.167 ( 0.084 2.919 6.453) 7.084 18.443 ( 6.606 -6.184 -4.951) 10.315 18.443 ( 6.606 6.184 -4.951) 10.315 18.814 ( 1.146 -4.316 -1.415) 4.684 18.814 ( 1.146 4.316 -1.415) 4.684 19.226 ( -0.222 -2.984 0.845) 3.109 19.226 ( -0.222 2.984 0.845) 3.109 19.356 ( 1.415 -4.526 -4.702) 6.678 19.356 ( 1.415 4.526 -4.702) 6.678 19.636 ( -0.827 -3.086 0.945) 3.332 19.636 ( -0.827 3.086 0.945) 3.332 19.806 ( 0.934 -2.362 -2.295) 3.423 19.806 ( 0.934 2.362 -2.295) 3.423 19.945 ( -0.888 -4.358 -0.781) 4.516 19.945 ( -0.888 4.358 -0.781) 4.516 20.009 ( 2.471 -4.912 0.859) 5.565 20.009 ( 2.471 4.912 0.859) 5.565 20.800 ( -2.422 -2.844 -8.451) 9.239 20.800 ( -2.422 2.844 -8.451) 9.239 21.284 ( 8.327 -13.972 -4.097) 16.773 21.284 ( 8.327 13.972 -4.097) 16.773 21.799 ( -7.750 -1.522 2.365) 8.245 21.799 ( -7.750 1.522 2.365) 8.245 21.978 ( 2.792 -0.823 1.858) 3.453 21.978 ( 2.792 0.823 1.858) 3.453 22.307 ( -3.248 -3.497 -2.259) 5.280 22.307 ( -3.248 3.497 -2.259) 5.280 22.948 ( -1.074 -11.722 -2.469) 12.027 22.948 ( -1.074 11.722 -2.469) 12.027 24.993 ( -0.083 -5.007 -1.341) 5.184 24.993 ( -0.083 5.007 -1.341) 5.184 25.631 ( -0.738 -13.543 11.255) 17.625 25.631 ( -0.738 13.543 11.255) 17.625 26.458 ( 5.931 -0.630 3.122) 6.732 26.458 ( 5.931 0.630 3.122) 6.732 26.894 ( 4.313 -5.825 -4.092) 8.323 26.894 ( 4.313 5.825 -4.092) 8.323 27.201 ( -1.039 -12.509 5.443) 13.681 27.201 ( -1.039 12.509 5.443) 13.681 27.527 ( -0.782 -3.571 -3.927) 5.365 27.527 ( -0.782 3.571 -3.927) 5.365 27.904 ( -8.419 -2.181 4.501) 9.793 27.904 ( -8.419 2.181 4.501) 9.793 28.559 ( 5.210 -4.294 -1.787) 6.984 28.559 ( 5.210 4.294 -1.787) 6.984 29.123 ( -0.193 -0.773 -6.187) 6.238 29.123 ( -0.193 0.773 -6.187) 6.238 29.642 ( -0.107 -1.496 0.439) 1.563 29.642 ( -0.107 1.496 0.439) 1.563 30.436 ( 2.978 -4.334 8.939) 10.371 30.436 ( 2.978 4.334 8.939) 10.371 30.928 ( -9.031 -6.439 3.037) 11.500 30.928 ( -9.031 6.439 3.037) 11.500 31.359 ( 3.081 -12.078 -8.410) 15.037 31.359 ( 3.081 12.078 -8.410) 15.037 31.697 ( 9.265 -8.203 -0.758) 12.398 31.697 ( 9.265 8.203 -0.758) 12.398 32.787 ( -7.140 -0.884 5.246) 8.904 32.787 ( -7.140 0.884 5.246) 8.904 33.157 ( -2.241 -3.558 -3.815) 5.678 33.157 ( -2.241 3.558 -3.815) 5.678 33.775 ( 1.765 -3.723 1.184) 4.287 33.775 ( 1.765 3.723 1.184) 4.287 34.180 ( -0.394 -4.826 -3.864) 6.195 34.180 ( -0.394 4.826 -3.864) 6.195 38.058 ( 3.346 -2.460 1.296) 4.350 38.058 ( 3.346 2.460 1.296) 4.350 38.302 ( -3.277 -1.412 -3.968) 5.337 38.302 ( -3.277 1.412 -3.968) 5.337 38.568 ( -2.418 -5.058 0.043) 5.607 38.568 ( -2.418 5.058 0.043) 5.607 39.013 ( -2.674 -7.753 2.911) 8.702 39.013 ( -2.674 7.753 2.911) 8.702 39.307 ( 2.156 -7.588 4.346) 9.006 39.307 ( 2.156 7.588 4.346) 9.006 39.795 ( 2.419 -2.408 5.887) 6.805 39.795 ( 2.419 2.408 5.887) 6.805 40.437 ( -5.379 -2.941 -9.682) 11.459 40.437 ( -5.379 2.941 -9.682) 11.459 40.707 ( 1.902 -6.585 -1.624) 7.044 40.707 ( 1.902 6.585 -1.624) 7.044 41.124 ( 0.553 -3.962 3.684) 5.439 41.124 ( 0.553 3.962 3.684) 5.439 41.428 ( -1.049 -6.583 7.554) 10.074 41.428 ( -1.049 6.583 7.554) 10.074 42.264 ( 1.586 -5.962 0.416) 6.183 42.264 ( 1.586 5.962 0.416) 6.183 43.421 ( 0.576 -7.718 -11.542) 13.897 43.421 ( 0.576 7.718 -11.542) 13.897 ======================= Grid point 71 (37/78) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -13.379 -6.057 -0.586) 14.697 2.122 ( -13.379 6.057 -0.586) 14.697 2.565 ( -12.888 -4.885 4.733) 14.573 2.565 ( -12.888 4.885 4.733) 14.573 2.941 ( -0.583 -0.902 -6.649) 6.735 2.941 ( -0.583 0.902 -6.649) 6.735 3.187 ( 0.868 -1.298 -2.213) 2.708 3.187 ( 0.868 1.298 -2.213) 2.708 3.374 ( 8.424 -8.054 -1.463) 11.746 3.374 ( 8.424 8.054 -1.463) 11.746 3.583 ( 1.711 -6.273 1.043) 6.586 3.583 ( 1.711 6.273 1.043) 6.586 3.774 ( -10.416 -3.921 -2.350) 11.375 3.774 ( -10.416 3.921 -2.350) 11.375 3.961 ( -0.928 -4.180 7.021) 8.224 3.961 ( -0.928 4.180 7.021) 8.224 4.380 ( -2.754 -8.164 1.061) 8.681 4.380 ( -2.754 8.164 1.061) 8.681 4.727 ( 0.489 -2.588 0.333) 2.655 4.727 ( 0.489 2.588 0.333) 2.655 4.881 ( 5.869 -3.636 -4.774) 8.394 4.881 ( 5.869 3.636 -4.774) 8.394 5.000 ( 1.396 -3.407 1.479) 3.968 5.000 ( 1.396 3.407 1.479) 3.968 5.216 ( -4.801 -3.470 2.057) 6.270 5.216 ( -4.801 3.470 2.057) 6.270 5.595 ( -5.588 -7.023 -6.364) 11.002 5.595 ( -5.588 7.023 -6.364) 11.002 5.837 ( 2.894 -5.878 -1.575) 6.739 5.837 ( 2.894 5.878 -1.575) 6.739 6.038 ( -4.191 -4.406 -4.739) 7.710 6.038 ( -4.191 4.406 -4.739) 7.710 6.151 ( 3.375 -2.261 -1.170) 4.228 6.151 ( 3.375 2.261 -1.170) 4.228 6.501 ( 6.603 -3.968 10.392) 12.936 6.501 ( 6.603 3.968 10.392) 12.936 6.863 ( -3.814 -7.078 -3.053) 8.600 6.863 ( -3.814 7.078 -3.053) 8.600 6.965 ( -8.838 -3.130 11.108) 14.536 6.965 ( -8.838 3.130 11.108) 14.536 7.196 ( 1.208 -0.499 -0.432) 1.376 7.196 ( 1.208 0.499 -0.432) 1.376 7.473 ( 4.649 -5.952 -3.573) 8.355 7.473 ( 4.649 5.952 -3.573) 8.355 7.710 ( -0.862 -1.511 -0.655) 1.859 7.710 ( -0.862 1.511 -0.655) 1.859 8.339 ( -11.851 -8.115 -1.944) 14.494 8.339 ( -11.851 8.115 -1.944) 14.494 9.189 ( -3.948 -2.106 -0.925) 4.569 9.189 ( -3.948 2.106 -0.925) 4.569 9.368 ( -3.919 -6.346 1.256) 7.563 9.368 ( -3.919 6.346 1.256) 7.563 10.274 ( -1.532 -6.626 3.120) 7.483 10.274 ( -1.532 6.626 3.120) 7.483 10.454 ( -6.236 -1.520 -2.209) 6.788 10.454 ( -6.236 1.520 -2.209) 6.788 10.766 ( -1.319 -7.717 2.705) 8.283 10.766 ( -1.319 7.717 2.705) 8.283 11.135 ( -1.657 -9.243 -4.578) 10.446 11.135 ( -1.657 9.243 -4.578) 10.446 11.620 ( 6.854 -1.534 6.271) 9.416 11.620 ( 6.854 1.534 6.271) 9.416 12.101 ( -10.082 -2.886 -1.065) 10.541 12.101 ( -10.082 2.886 -1.065) 10.541 12.351 ( 4.155 -2.036 -2.022) 5.050 12.351 ( 4.155 2.036 -2.022) 5.050 12.734 ( 4.671 -2.453 -4.078) 6.668 12.734 ( 4.671 2.453 -4.078) 6.668 13.169 ( -3.637 -3.776 -2.554) 5.832 13.169 ( -3.637 3.776 -2.554) 5.832 13.484 ( -0.957 -2.062 2.925) 3.705 13.484 ( -0.957 2.062 2.925) 3.705 14.012 ( 2.457 -9.546 7.961) 12.671 14.012 ( 2.457 9.546 7.961) 12.671 14.454 ( 6.609 -15.086 -1.996) 16.591 14.454 ( 6.609 15.086 -1.996) 16.591 14.853 ( 9.639 -2.215 1.556) 10.012 14.853 ( 9.639 2.215 1.556) 10.012 15.025 ( 5.985 -3.690 6.810) 9.788 15.025 ( 5.985 3.690 6.810) 9.788 16.155 ( 5.799 -6.321 -2.743) 9.006 16.155 ( 5.799 6.321 -2.743) 9.006 16.434 ( 5.539 -6.405 -0.826) 8.509 16.434 ( 5.539 6.405 -0.826) 8.509 16.746 ( -0.135 -5.510 -6.012) 8.156 16.746 ( -0.135 5.510 -6.012) 8.156 17.071 ( -3.477 -5.318 1.791) 6.601 17.071 ( -3.477 5.318 1.791) 6.601 17.516 ( 1.569 -1.846 -1.942) 3.105 17.516 ( 1.569 1.846 -1.942) 3.105 18.079 ( -8.843 -3.285 7.958) 12.342 18.079 ( -8.843 3.285 7.958) 12.342 18.530 ( 2.136 -6.943 0.547) 7.284 18.530 ( 2.136 6.943 0.547) 7.284 18.875 ( 2.174 -8.796 0.078) 9.061 18.875 ( 2.174 8.796 0.078) 9.061 19.156 ( -3.760 -2.732 -1.022) 4.759 19.156 ( -3.760 2.732 -1.022) 4.759 19.380 ( 1.888 -4.479 -2.701) 5.561 19.380 ( 1.888 4.479 -2.701) 5.561 19.576 ( -4.682 -5.382 1.739) 7.342 19.576 ( -4.682 5.382 1.739) 7.342 19.821 ( 1.123 -3.992 -1.618) 4.452 19.821 ( 1.123 3.992 -1.618) 4.452 19.953 ( -1.171 -4.711 -1.040) 4.965 19.953 ( -1.171 4.711 -1.040) 4.965 20.047 ( 4.505 -4.214 -1.664) 6.389 20.047 ( 4.505 4.214 -1.664) 6.389 20.774 ( 3.057 -1.469 -8.089) 8.771 20.774 ( 3.057 1.469 -8.089) 8.771 21.278 ( -5.192 -10.952 -2.289) 12.335 21.278 ( -5.192 10.952 -2.289) 12.335 21.830 ( 7.345 -4.191 1.589) 8.604 21.830 ( 7.345 4.191 1.589) 8.604 22.099 ( 8.199 -2.474 1.180) 8.645 22.099 ( 8.199 2.474 1.180) 8.645 22.269 ( 2.412 -2.216 -4.385) 5.473 22.269 ( 2.412 2.216 -4.385) 5.473 22.994 ( 7.226 -10.178 -2.374) 12.706 22.994 ( 7.226 10.178 -2.374) 12.706 24.916 ( -6.779 -4.105 -1.984) 8.169 24.916 ( -6.779 4.105 -1.984) 8.169 25.688 ( -0.295 -15.460 13.845) 20.755 25.688 ( -0.295 15.460 13.845) 20.755 26.562 ( 1.767 -3.930 6.513) 7.809 26.562 ( 1.767 3.930 6.513) 7.809 26.868 ( -4.772 -6.573 -6.487) 10.395 26.868 ( -4.772 6.573 -6.487) 10.395 27.264 ( 1.973 -10.500 8.850) 13.873 27.264 ( 1.973 10.500 8.850) 13.873 27.452 ( -1.909 -4.373 -6.894) 8.385 27.452 ( -1.909 4.373 -6.894) 8.385 27.786 ( -4.237 -2.824 1.157) 5.222 27.786 ( -4.237 2.824 1.157) 5.222 28.634 ( 2.750 -3.278 0.751) 4.344 28.634 ( 2.750 3.278 0.751) 4.344 29.053 ( -3.220 -1.377 -7.617) 8.384 29.053 ( -3.220 1.377 -7.617) 8.384 29.598 ( -4.516 -2.470 0.443) 5.166 29.598 ( -4.516 2.470 0.443) 5.166 30.357 ( -16.953 -5.462 10.419) 20.635 30.357 ( -16.953 5.462 10.419) 20.635 30.759 ( -7.025 -7.675 -0.720) 10.430 30.759 ( -7.025 7.675 -0.720) 10.430 31.409 ( 8.066 -7.879 -7.360) 13.465 31.409 ( 8.066 7.879 -7.360) 13.465 31.982 ( 15.341 -6.375 3.568) 16.992 31.982 ( 15.341 6.375 3.568) 16.992 32.658 ( -7.643 -0.831 3.119) 8.297 32.658 ( -7.643 0.831 3.119) 8.297 33.124 ( 1.479 -1.879 -6.411) 6.843 33.124 ( 1.479 1.879 -6.411) 6.843 33.810 ( 1.051 -3.773 3.395) 5.183 33.810 ( 1.051 3.773 3.395) 5.183 34.177 ( 1.688 -4.806 -4.802) 7.001 34.177 ( 1.688 4.806 -4.802) 7.001 38.099 ( -1.026 -2.461 2.005) 3.336 38.099 ( -1.026 2.461 2.005) 3.336 38.291 ( 5.632 -1.811 -4.899) 7.681 38.291 ( 5.632 1.811 -4.899) 7.681 38.527 ( -1.655 -4.040 0.320) 4.378 38.527 ( -1.655 4.040 0.320) 4.378 38.986 ( -1.361 -7.003 2.220) 7.472 38.986 ( -1.361 7.003 2.220) 7.472 39.391 ( 3.210 -9.265 5.129) 11.066 39.391 ( 3.210 9.265 5.129) 11.066 39.867 ( 1.137 -2.611 5.734) 6.402 39.867 ( 1.137 2.611 5.734) 6.402 40.287 ( -4.661 -5.764 -8.344) 11.161 40.287 ( -4.661 5.764 -8.344) 11.161 40.720 ( 1.469 -4.630 -2.780) 5.596 40.720 ( 1.469 4.630 -2.780) 5.596 41.147 ( -0.703 -5.817 4.029) 7.111 41.147 ( -0.703 5.817 4.029) 7.111 41.425 ( -2.445 -4.468 6.335) 8.129 41.425 ( -2.445 4.468 6.335) 8.129 42.308 ( 1.719 -11.736 3.267) 12.303 42.308 ( 1.719 11.736 3.267) 12.303 43.328 ( -3.282 -4.271 -14.328) 15.307 43.328 ( -3.282 4.271 -14.328) 15.307 ======================= Grid point 73 (38/78) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -14.080 -13.225 2.552) 19.485 1.862 ( -14.080 13.225 2.552) 19.485 2.284 ( -16.835 -14.024 7.106) 23.034 2.284 ( -16.835 14.024 7.106) 23.034 2.910 ( -2.382 -6.958 -3.429) 8.114 2.910 ( -2.382 6.958 -3.429) 8.114 3.162 ( -7.481 -3.075 -4.363) 9.190 3.162 ( -7.481 3.075 -4.363) 9.190 3.279 ( -16.837 -9.414 -4.291) 19.762 3.279 ( -16.837 9.414 -4.291) 19.762 3.519 ( -1.852 -4.315 -2.199) 5.185 3.519 ( -1.852 4.315 -2.199) 5.185 3.732 ( 8.028 -1.770 0.853) 8.264 3.732 ( 8.028 1.770 0.853) 8.264 3.999 ( 1.017 -4.730 4.355) 6.509 3.999 ( 1.017 4.730 4.355) 6.509 4.352 ( -1.335 -8.249 3.405) 9.024 4.352 ( -1.335 8.249 3.405) 9.024 4.657 ( -7.893 -2.107 0.794) 8.208 4.657 ( -7.893 2.107 0.794) 8.208 4.862 ( -2.877 -4.245 -6.292) 8.117 4.862 ( -2.877 4.245 -6.292) 8.117 5.063 ( -0.343 -3.872 4.301) 5.797 5.063 ( -0.343 3.872 4.301) 5.797 5.240 ( 6.755 -7.015 2.384) 10.026 5.240 ( 6.755 7.015 2.384) 10.026 5.445 ( -6.183 -3.444 -1.899) 7.328 5.445 ( -6.183 3.444 -1.899) 7.328 5.797 ( -6.329 -3.391 -9.347) 11.787 5.797 ( -6.329 3.391 -9.347) 11.787 5.959 ( 0.348 -6.124 -3.367) 6.997 5.959 ( 0.348 6.124 -3.367) 6.997 6.255 ( 7.539 -7.766 0.001) 10.823 6.255 ( 7.539 7.766 0.001) 10.823 6.552 ( -8.503 -3.183 7.187) 11.579 6.552 ( -8.503 3.183 7.187) 11.579 6.722 ( -3.639 -2.697 0.797) 4.599 6.722 ( -3.639 2.697 0.797) 4.599 7.014 ( 7.057 -2.202 7.215) 10.330 7.014 ( 7.057 2.202 7.215) 10.330 7.227 ( 1.963 -1.901 0.561) 2.790 7.227 ( 1.963 1.901 0.561) 2.790 7.571 ( 2.867 -5.917 -0.066) 6.575 7.571 ( 2.867 5.917 -0.066) 6.575 7.728 ( 6.621 -1.926 -5.992) 9.136 7.728 ( 6.621 1.926 -5.992) 9.136 8.133 ( -5.852 -6.015 0.623) 8.415 8.133 ( -5.852 6.015 0.623) 8.415 9.080 ( -6.125 -3.336 -0.761) 7.016 9.080 ( -6.125 3.336 -0.761) 7.016 9.275 ( -6.465 -4.803 0.679) 8.082 9.275 ( -6.465 4.803 0.679) 8.082 10.185 ( -9.245 -4.893 0.608) 10.477 10.185 ( -9.245 4.893 0.608) 10.477 10.372 ( -2.084 -2.384 0.653) 3.233 10.372 ( -2.084 2.384 0.653) 3.233 10.683 ( -6.606 -10.388 3.398) 12.772 10.683 ( -6.606 10.388 3.398) 12.772 11.075 ( -1.661 -6.981 -4.066) 8.248 11.075 ( -1.661 6.981 -4.066) 8.248 11.799 ( 6.365 -0.778 5.809) 8.653 11.799 ( 6.365 0.778 5.809) 8.653 11.962 ( -3.448 -1.360 -0.886) 3.811 11.962 ( -3.448 1.360 -0.886) 3.811 12.455 ( 6.862 -0.959 0.071) 6.929 12.455 ( 6.862 0.959 0.071) 6.929 12.749 ( -0.267 -2.381 -5.124) 5.657 12.749 ( -0.267 2.381 -5.124) 5.657 13.094 ( -3.667 -4.295 0.371) 5.660 13.094 ( -3.667 4.295 0.371) 5.660 13.390 ( -6.548 -2.158 -0.047) 6.894 13.390 ( -6.548 2.158 -0.047) 6.894 14.054 ( -0.363 -11.256 -0.595) 11.277 14.054 ( -0.363 11.256 -0.595) 11.277 14.667 ( 13.498 -7.945 1.968) 15.786 14.667 ( 13.498 7.945 1.968) 15.786 14.942 ( -3.001 -2.942 12.262) 12.962 14.942 ( -3.001 2.942 12.262) 12.962 15.383 ( 21.879 -3.320 2.048) 22.224 15.383 ( 21.879 3.320 2.048) 22.224 16.289 ( 9.824 -4.922 -4.473) 11.864 16.289 ( 9.824 4.922 -4.473) 11.864 16.481 ( -1.988 -9.788 0.956) 10.033 16.481 ( -1.988 9.788 0.956) 10.033 16.759 ( 5.788 -1.590 -5.981) 8.474 16.759 ( 5.788 1.590 -5.981) 8.474 17.030 ( 0.202 -4.418 0.502) 4.451 17.030 ( 0.202 4.418 0.502) 4.451 17.554 ( 2.839 -1.545 -4.210) 5.307 17.554 ( 2.839 1.545 -4.210) 5.307 18.032 ( 1.678 -2.465 3.727) 4.773 18.032 ( 1.678 2.465 3.727) 4.773 18.488 ( -6.689 -9.482 3.697) 12.179 18.488 ( -6.689 9.482 3.697) 12.179 18.853 ( -3.983 -6.967 2.048) 8.282 18.853 ( -3.983 6.967 2.048) 8.282 19.134 ( 0.998 -4.870 -0.289) 4.979 19.134 ( 0.998 4.870 -0.289) 4.979 19.386 ( -0.687 -4.128 -0.834) 4.267 19.386 ( -0.687 4.128 -0.834) 4.267 19.525 ( -2.024 -6.348 3.072) 7.337 19.525 ( -2.024 6.348 3.072) 7.337 19.763 ( -6.173 -4.249 -5.877) 9.523 19.763 ( -6.173 4.249 -5.877) 9.523 19.912 ( 1.051 -1.700 -2.883) 3.507 19.912 ( 1.051 1.700 -2.883) 3.507 20.161 ( 5.937 -2.532 -0.728) 6.496 20.161 ( 5.937 2.532 -0.728) 6.496 20.776 ( -0.406 -3.464 -4.297) 5.535 20.776 ( -0.406 3.464 -4.297) 5.535 21.199 ( -0.012 -2.792 -1.771) 3.307 21.199 ( -0.012 2.792 -1.771) 3.307 21.954 ( 3.408 -2.283 2.204) 4.657 21.954 ( 3.408 2.283 2.204) 4.657 22.177 ( 1.891 -0.490 -4.813) 5.194 22.177 ( 1.891 0.490 -4.813) 5.194 22.499 ( 21.217 -1.009 -2.218) 21.357 22.499 ( 21.217 1.009 -2.218) 21.357 23.200 ( 14.245 -8.263 -0.137) 16.469 23.200 ( 14.245 8.263 -0.137) 16.469 24.717 ( -12.306 -2.028 -2.277) 12.678 24.717 ( -12.306 2.028 -2.277) 12.678 25.754 ( -1.719 -15.628 16.402) 22.720 25.754 ( -1.719 15.628 16.402) 22.720 26.507 ( -13.438 -3.724 2.396) 14.149 26.507 ( -13.438 3.724 2.396) 14.149 26.739 ( -0.348 -7.072 -5.233) 8.804 26.739 ( -0.348 7.072 -5.233) 8.804 27.217 ( -5.120 -4.872 -4.713) 8.495 27.217 ( -5.120 4.872 -4.713) 8.495 27.543 ( 8.046 -7.897 7.859) 13.743 27.543 ( 8.046 7.897 7.859) 13.743 27.762 ( 2.162 -0.692 -2.482) 3.363 27.762 ( 2.162 0.692 -2.482) 3.363 28.680 ( 1.263 -6.446 2.463) 7.015 28.680 ( 1.263 6.446 2.463) 7.015 28.934 ( -3.695 -2.568 -9.846) 10.825 28.934 ( -3.695 2.568 -9.846) 10.825 29.474 ( -8.030 -3.900 -1.206) 9.008 29.474 ( -8.030 3.900 -1.206) 9.008 30.004 ( -21.032 -7.633 7.310) 23.538 30.004 ( -21.032 7.633 7.310) 23.538 30.585 ( -12.000 -2.948 -0.568) 12.370 30.585 ( -12.000 2.948 -0.568) 12.370 31.562 ( 9.004 -7.712 -3.797) 12.449 31.562 ( 9.004 7.712 -3.797) 12.449 32.267 ( 11.062 -8.607 5.424) 15.029 32.267 ( 11.062 8.607 5.424) 15.029 32.538 ( -6.187 -1.174 3.007) 6.979 32.538 ( -6.187 1.174 3.007) 6.979 33.159 ( 6.843 -0.805 -9.239) 11.526 33.159 ( 6.843 0.805 -9.239) 11.526 33.869 ( 2.576 -1.824 6.321) 7.065 33.869 ( 2.576 1.824 6.321) 7.065 34.167 ( -0.490 -4.519 -4.699) 6.537 34.167 ( -0.490 4.519 -4.699) 6.537 38.085 ( 0.413 -0.321 -0.226) 0.570 38.085 ( 0.413 0.321 -0.226) 0.570 38.412 ( 6.004 -2.596 -1.084) 6.631 38.412 ( 6.004 2.596 -1.084) 6.631 38.520 ( 1.554 -5.120 1.183) 5.480 38.520 ( 1.554 5.120 1.183) 5.480 38.980 ( -0.809 -6.230 2.279) 6.682 38.980 ( -0.809 6.230 2.279) 6.682 39.464 ( 1.659 -9.278 3.124) 9.930 39.464 ( 1.659 9.278 3.124) 9.930 39.842 ( -5.270 -0.820 -2.443) 5.866 39.842 ( -5.270 0.820 -2.443) 5.866 40.226 ( 0.963 -9.796 2.142) 10.074 40.226 ( 0.963 9.796 2.142) 10.074 40.770 ( 5.780 -2.863 -2.470) 6.907 40.770 ( 5.780 2.863 -2.470) 6.907 41.123 ( -3.451 -5.938 1.929) 7.134 41.123 ( -3.451 5.938 1.929) 7.134 41.424 ( -0.935 -2.567 7.507) 7.988 41.424 ( -0.935 2.567 7.507) 7.988 42.354 ( 0.360 -12.849 4.737) 13.699 42.354 ( 0.360 12.849 4.737) 13.699 43.144 ( -6.796 -1.925 -16.744) 18.173 43.144 ( -6.796 1.925 -16.744) 18.173 ======================= Grid point 75 (39/78) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -17.783 -24.857 2.790) 30.690 1.569 ( -17.783 24.857 2.790) 30.690 1.972 ( -20.710 -21.991 8.236) 31.310 1.972 ( -20.710 21.991 8.236) 31.310 2.646 ( -10.660 -21.616 -0.381) 24.105 2.646 ( -10.660 21.616 -0.381) 24.105 2.971 ( -2.610 -8.302 0.706) 8.731 2.971 ( -2.610 8.302 0.706) 8.731 3.152 ( -5.721 -7.746 -0.600) 9.648 3.152 ( -5.721 7.746 -0.600) 9.648 3.552 ( 3.267 -2.853 0.252) 4.344 3.552 ( 3.267 2.853 0.252) 4.344 3.793 ( -1.470 -0.763 -5.810) 6.042 3.793 ( -1.470 0.763 -5.810) 6.042 4.017 ( 0.522 -4.593 2.013) 5.042 4.017 ( 0.522 4.593 2.013) 5.042 4.322 ( -2.676 -1.946 4.506) 5.590 4.322 ( -2.676 1.946 4.506) 5.590 4.555 ( -3.335 -2.729 -1.172) 4.466 4.555 ( -3.335 2.729 -1.172) 4.466 4.734 ( -6.780 -5.316 -0.378) 8.623 4.734 ( -6.780 5.316 -0.378) 8.623 5.061 ( -2.558 -3.986 6.663) 8.175 5.061 ( -2.558 3.986 6.663) 8.175 5.315 ( -0.741 -3.995 -8.450) 9.377 5.315 ( -0.741 3.995 -8.450) 9.377 5.398 ( 2.901 -2.885 2.190) 4.641 5.398 ( 2.901 2.885 2.190) 4.641 5.605 ( -3.584 -2.912 -10.957) 11.890 5.605 ( -3.584 2.912 -10.957) 11.890 5.982 ( 3.029 -8.047 -4.633) 9.767 5.982 ( 3.029 8.047 -4.633) 9.767 6.348 ( -2.623 -2.981 4.040) 5.665 6.348 ( -2.623 2.981 4.040) 5.665 6.508 ( 4.823 -7.282 2.806) 9.174 6.508 ( 4.823 7.282 2.806) 9.174 6.687 ( -0.934 -1.945 3.828) 4.394 6.687 ( -0.934 1.945 3.828) 4.394 7.151 ( 1.998 -7.861 -2.625) 8.525 7.151 ( 1.998 7.861 -2.625) 8.525 7.329 ( 7.817 -6.609 6.216) 11.975 7.329 ( 7.817 6.609 6.216) 11.975 7.557 ( -3.670 -3.127 4.544) 6.625 7.557 ( -3.670 3.127 4.544) 6.625 7.870 ( 8.112 -6.810 -5.222) 11.809 7.870 ( 8.112 6.810 -5.222) 11.809 8.151 ( 6.166 -1.646 -0.135) 6.384 8.151 ( 6.166 1.646 -0.135) 6.384 8.933 ( -8.617 -2.209 -2.495) 9.238 8.933 ( -8.617 2.209 -2.495) 9.238 9.144 ( -5.782 -1.764 -0.543) 6.069 9.144 ( -5.782 1.764 -0.543) 6.069 9.998 ( -7.822 -5.136 -2.550) 9.699 9.998 ( -7.822 5.136 -2.550) 9.699 10.304 ( -5.270 -3.459 0.275) 6.310 10.304 ( -5.270 3.459 0.275) 6.310 10.599 ( -3.806 -13.461 3.786) 14.492 10.599 ( -3.806 13.461 3.786) 14.492 11.061 ( 1.694 -6.667 -0.664) 6.911 11.061 ( 1.694 6.667 -0.664) 6.911 11.852 ( -2.076 -1.627 3.053) 4.035 11.852 ( -2.076 1.627 3.053) 4.035 11.975 ( 3.523 -0.313 -1.194) 3.733 11.975 ( 3.523 0.313 -1.194) 3.733 12.562 ( 1.549 -3.943 -1.980) 4.676 12.562 ( 1.549 3.943 -1.980) 4.676 12.735 ( 2.534 -6.111 1.514) 6.787 12.735 ( 2.534 6.111 1.514) 6.787 13.023 ( -4.120 -6.880 3.741) 8.849 13.023 ( -4.120 6.880 3.741) 8.849 13.314 ( -0.094 -4.566 -1.136) 4.706 13.314 ( -0.094 4.566 -1.136) 4.706 14.030 ( -0.052 -15.792 -4.161) 16.332 14.030 ( -0.052 15.792 -4.161) 16.332 14.828 ( -0.456 -6.431 0.092) 6.448 14.828 ( -0.456 6.431 0.092) 6.448 15.024 ( 5.708 -3.581 14.460) 15.953 15.024 ( 5.708 3.581 14.460) 15.953 15.609 ( -0.984 -2.981 2.242) 3.857 15.609 ( -0.984 2.981 2.242) 3.857 16.429 ( 1.002 -4.603 -0.899) 4.796 16.429 ( 1.002 4.603 -0.899) 4.796 16.541 ( 15.379 -5.124 -5.705) 17.185 16.541 ( 15.379 5.124 -5.705) 17.185 16.829 ( 2.964 -5.167 -2.606) 6.502 16.829 ( 2.964 5.167 -2.606) 6.502 17.120 ( 6.777 -2.945 1.631) 7.567 17.120 ( 6.777 2.945 1.631) 7.567 17.582 ( 1.284 -1.051 1.399) 2.170 17.582 ( 1.284 1.051 1.399) 2.170 18.125 ( 5.362 -5.952 -3.068) 8.578 18.125 ( 5.362 5.952 -3.068) 8.578 18.397 ( -2.337 -9.631 1.889) 10.089 18.397 ( -2.337 9.631 1.889) 10.089 18.778 ( -4.048 -4.349 1.303) 6.082 18.778 ( -4.048 4.349 1.303) 6.082 19.121 ( -4.249 -4.919 -0.152) 6.502 19.121 ( -4.249 4.919 -0.152) 6.502 19.331 ( -4.931 -2.029 0.652) 5.372 19.331 ( -4.931 2.029 0.652) 5.372 19.468 ( -4.072 -0.510 1.275) 4.297 19.468 ( -4.072 0.510 1.275) 4.297 19.661 ( 0.601 -2.155 -4.358) 4.898 19.661 ( 0.601 2.155 -4.358) 4.898 19.929 ( 1.767 -3.514 -4.517) 5.990 19.929 ( 1.767 3.514 -4.517) 5.990 20.241 ( 2.417 -2.351 0.473) 3.405 20.241 ( 2.417 2.351 0.473) 3.405 20.729 ( -2.013 -3.360 -0.813) 4.001 20.729 ( -2.013 3.360 -0.813) 4.001 21.237 ( 3.517 -0.765 -3.907) 5.312 21.237 ( 3.517 0.765 -3.907) 5.312 21.994 ( -0.154 -0.735 2.989) 3.082 21.994 ( -0.154 0.735 2.989) 3.082 22.200 ( 3.495 -2.031 -5.719) 7.003 22.200 ( 3.495 2.031 -5.719) 7.003 22.942 ( 23.630 -1.465 -2.350) 23.792 22.942 ( 23.630 1.465 -2.350) 23.792 23.505 ( 14.177 -6.116 5.018) 16.235 23.505 ( 14.177 6.116 5.018) 16.235 24.431 ( -14.882 -0.229 -2.767) 15.138 24.431 ( -14.882 0.229 -2.767) 15.138 25.743 ( -8.543 -13.485 11.267) 19.539 25.743 ( -8.543 13.485 11.267) 19.539 26.219 ( -10.878 -9.320 -2.349) 14.516 26.219 ( -10.878 9.320 -2.349) 14.516 26.760 ( 2.326 -7.711 -0.053) 8.054 26.760 ( 2.326 7.711 -0.053) 8.054 27.098 ( -3.712 -2.339 -8.840) 9.869 27.098 ( -3.712 2.339 -8.840) 9.869 27.673 ( 1.173 -5.020 0.680) 5.199 27.673 ( 1.173 5.020 0.680) 5.199 27.878 ( 8.955 -7.364 2.327) 11.825 27.878 ( 8.955 7.364 2.327) 11.825 28.650 ( -5.887 -12.713 -8.085) 16.175 28.650 ( -5.887 12.713 -8.085) 16.175 28.890 ( 5.739 -1.667 -0.370) 5.988 28.890 ( 5.739 1.667 -0.370) 5.988 29.287 ( -8.737 -2.640 -3.256) 9.690 29.287 ( -8.737 2.640 -3.256) 9.690 29.702 ( -13.135 -7.298 8.428) 17.228 29.702 ( -13.135 7.298 8.428) 17.228 30.314 ( -13.000 -4.538 -0.465) 13.777 30.314 ( -13.000 4.538 -0.465) 13.777 31.661 ( 1.363 -5.779 -0.292) 5.944 31.661 ( 1.363 5.779 -0.292) 5.944 32.426 ( 0.406 -2.632 3.155) 4.129 32.426 ( 0.406 2.632 3.155) 4.129 32.493 ( 2.312 -7.826 4.827) 9.482 32.493 ( 2.312 7.826 4.827) 9.482 33.292 ( 10.940 -2.366 -8.731) 14.196 33.292 ( 10.940 2.366 -8.731) 14.196 33.963 ( 1.522 -3.363 6.987) 7.902 33.963 ( 1.522 3.363 6.987) 7.902 34.123 ( -0.659 -3.736 -0.307) 3.806 34.123 ( -0.659 3.736 -0.307) 3.806 38.134 ( 4.404 -1.886 0.318) 4.801 38.134 ( 4.404 1.886 0.318) 4.801 38.448 ( -1.208 -0.849 1.426) 2.053 38.448 ( -1.208 0.849 1.426) 2.053 38.626 ( 6.768 -6.474 1.138) 9.434 38.626 ( 6.768 6.474 1.138) 9.434 38.956 ( -3.170 -3.686 1.884) 5.214 38.956 ( -3.170 3.686 1.884) 5.214 39.466 ( -1.920 -6.224 -1.581) 6.702 39.466 ( -1.920 6.224 -1.581) 6.702 39.737 ( -1.904 -4.138 -0.035) 4.555 39.737 ( -1.904 4.138 -0.035) 4.555 40.287 ( 1.528 -9.164 4.849) 10.480 40.287 ( 1.528 9.164 4.849) 10.480 40.910 ( 7.845 -2.997 -1.302) 8.498 40.910 ( 7.845 2.997 -1.302) 8.498 41.050 ( -3.221 -2.168 -1.164) 4.053 41.050 ( -3.221 2.168 -1.164) 4.053 41.469 ( 0.418 -3.603 9.338) 10.018 41.469 ( 0.418 3.603 9.338) 10.018 42.331 ( -5.497 -7.854 0.138) 9.588 42.331 ( -5.497 7.854 0.138) 9.588 42.952 ( -2.059 -1.813 -11.984) 12.294 42.952 ( -2.059 1.813 -11.984) 12.294 ======================= Grid point 85 (40/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 11.017 0.000 29.873) 31.840 1.663 ( 0.741 0.000 26.453) 26.464 2.008 ( 13.238 0.000 29.033) 31.909 2.409 ( -6.241 0.000 -11.817) 13.364 2.509 ( -2.755 0.000 16.750) 16.975 2.907 ( 1.025 0.000 -2.996) 3.166 2.961 ( 3.806 0.000 -1.115) 3.966 3.012 ( -3.029 0.000 -11.709) 12.095 3.098 ( 3.262 0.000 17.920) 18.215 3.286 ( -7.844 0.000 -14.683) 16.647 3.332 ( -2.623 0.000 3.932) 4.727 3.408 ( -1.219 0.000 1.061) 1.616 3.532 ( 1.728 0.000 -15.801) 15.895 3.716 ( 0.656 0.000 -1.389) 1.537 4.057 ( 3.317 0.000 -5.393) 6.332 4.086 ( -6.567 0.000 -3.582) 7.480 4.233 ( -1.968 0.000 -5.082) 5.450 4.343 ( 2.927 0.000 2.377) 3.771 4.446 ( -3.912 0.000 -2.208) 4.492 4.527 ( 2.583 0.000 9.125) 9.483 4.545 ( -6.438 0.000 7.513) 9.894 4.866 ( 1.502 0.000 -9.479) 9.598 4.908 ( 0.440 0.000 5.898) 5.914 5.158 ( 3.753 0.000 -14.191) 14.679 5.272 ( 7.165 0.000 1.485) 7.318 5.287 ( -7.798 0.000 3.394) 8.505 5.399 ( 1.553 0.000 -6.062) 6.258 5.433 ( -0.521 0.000 3.490) 3.529 5.538 ( 3.300 0.000 -1.318) 3.554 5.565 ( 2.126 0.000 -8.173) 8.445 5.653 ( 0.849 0.000 6.689) 6.743 5.738 ( 4.136 0.000 -1.191) 4.304 6.188 ( -8.347 0.000 -0.694) 8.376 6.353 ( 1.960 0.000 3.651) 4.144 6.447 ( 7.990 0.000 -3.745) 8.824 6.492 ( -3.714 0.000 -2.753) 4.623 6.940 ( 2.925 0.000 -1.602) 3.335 6.975 ( -2.924 0.000 2.841) 4.077 7.189 ( -7.007 0.000 7.681) 10.396 7.216 ( 4.283 0.000 4.297) 6.067 7.413 ( -2.731 0.000 7.949) 8.405 7.539 ( -3.640 0.000 4.216) 5.570 7.565 ( 0.790 0.000 -7.112) 7.156 7.605 ( 0.757 0.000 -2.496) 2.608 7.719 ( -2.570 0.000 0.174) 2.576 7.994 ( -2.036 0.000 -8.989) 9.217 8.153 ( 4.588 0.000 4.921) 6.728 8.451 ( -0.937 0.000 -5.231) 5.314 8.806 ( 1.019 0.000 0.393) 1.092 8.815 ( 1.299 0.000 0.575) 1.421 8.967 ( -3.260 0.000 -3.680) 4.916 9.008 ( 1.287 0.000 -4.278) 4.467 9.685 ( 0.173 0.000 10.445) 10.447 9.967 ( 0.144 0.000 -2.844) 2.847 9.998 ( -1.077 0.000 -1.112) 1.548 10.194 ( -4.621 0.000 -3.943) 6.074 10.488 ( 1.361 0.000 3.017) 3.310 10.691 ( 1.335 0.000 -9.256) 9.352 11.337 ( -3.033 0.000 2.757) 4.099 11.354 ( 3.581 0.000 1.740) 3.981 11.790 ( -2.862 0.000 2.314) 3.680 11.889 ( 1.599 0.000 -1.779) 2.392 11.999 ( 6.934 0.000 -0.170) 6.936 12.000 ( -8.831 0.000 -2.008) 9.057 12.454 ( 1.013 0.000 5.408) 5.502 12.535 ( -2.272 0.000 2.939) 3.714 12.682 ( 2.153 0.000 -4.839) 5.296 12.883 ( 7.539 0.000 -7.243) 10.455 13.074 ( -6.493 0.000 7.825) 10.168 13.159 ( 6.242 0.000 5.092) 8.055 13.447 ( 4.327 0.000 7.360) 8.538 13.529 ( -1.433 0.000 2.084) 2.529 13.742 ( 1.429 0.000 4.552) 4.771 14.126 ( -4.634 0.000 -10.658) 11.622 14.707 ( 6.465 0.000 0.391) 6.477 14.997 ( -16.083 0.000 -7.842) 17.893 15.016 ( -3.449 0.000 6.476) 7.338 15.424 ( 1.535 0.000 -6.877) 7.046 15.427 ( -13.061 0.000 21.155) 24.862 15.908 ( 7.224 0.000 5.046) 8.811 16.278 ( 3.121 0.000 -0.057) 3.121 16.375 ( -3.135 0.000 -3.184) 4.469 16.428 ( 6.805 0.000 -0.600) 6.831 16.665 ( 1.232 0.000 -4.465) 4.632 17.096 ( -4.195 0.000 2.421) 4.843 17.132 ( 18.838 0.000 -3.210) 19.110 17.297 ( 1.903 0.000 5.121) 5.463 17.394 ( -12.513 0.000 0.968) 12.551 17.484 ( 5.798 0.000 -2.272) 6.228 17.546 ( -1.265 0.000 -4.235) 4.419 18.058 ( 18.281 0.000 7.687) 19.832 18.103 ( -19.848 0.000 0.531) 19.855 18.340 ( 3.212 0.000 1.440) 3.520 18.518 ( 2.434 0.000 -3.345) 4.137 18.611 ( -3.402 0.000 -7.994) 8.688 18.662 ( -8.729 0.000 -5.651) 10.399 18.864 ( -8.555 0.000 -1.436) 8.674 18.996 ( 5.379 0.000 -5.076) 7.396 19.157 ( -3.225 0.000 5.184) 6.105 19.377 ( 3.413 0.000 -1.824) 3.869 19.437 ( -1.656 0.000 -0.436) 1.712 19.556 ( 3.872 0.000 -9.634) 10.383 19.655 ( -0.068 0.000 6.764) 6.765 19.736 ( -3.660 0.000 1.374) 3.910 19.778 ( 2.340 0.000 -1.107) 2.588 19.981 ( 0.703 0.000 -4.830) 4.881 20.230 ( -0.446 0.000 2.473) 2.513 20.311 ( 3.245 0.000 -1.806) 3.713 20.661 ( -0.256 0.000 2.285) 2.299 20.708 ( 3.077 0.000 -1.772) 3.551 21.003 ( -11.840 0.000 -3.528) 12.354 21.154 ( 9.710 0.000 -7.156) 12.062 22.004 ( -4.601 0.000 1.556) 4.856 22.016 ( 2.013 0.000 0.842) 2.182 22.197 ( -2.544 0.000 1.581) 2.995 22.204 ( 5.550 0.000 -2.283) 6.001 23.199 ( 3.378 0.000 1.944) 3.898 23.275 ( 4.947 0.000 -0.100) 4.948 24.008 ( 2.751 0.000 9.277) 9.676 24.070 ( 1.673 0.000 5.579) 5.824 24.145 ( 5.942 0.000 -0.144) 5.944 24.198 ( 0.498 0.000 -1.418) 1.503 25.134 ( -17.290 0.000 5.937) 18.280 25.434 ( 1.407 0.000 -14.045) 14.115 25.622 ( -9.513 0.000 7.844) 12.330 26.362 ( 3.542 0.000 -16.403) 16.781 26.693 ( 0.663 0.000 -2.183) 2.281 26.729 ( -1.370 0.000 -1.231) 1.842 27.120 ( -5.687 0.000 10.230) 11.704 27.122 ( -0.150 0.000 5.232) 5.234 27.646 ( 3.229 0.000 1.407) 3.522 27.650 ( -1.305 0.000 3.633) 3.860 27.746 ( -2.082 0.000 3.001) 3.653 28.074 ( 0.642 0.000 -5.402) 5.440 28.380 ( -0.050 0.000 10.042) 10.042 28.758 ( -4.394 0.000 -6.821) 8.114 28.798 ( -2.303 0.000 -11.055) 11.292 28.877 ( 14.706 0.000 -10.687) 18.179 29.170 ( -0.521 0.000 1.218) 1.325 29.262 ( 0.609 0.000 -3.289) 3.345 29.525 ( -0.764 0.000 1.090) 1.331 29.680 ( -2.317 0.000 -4.180) 4.779 30.079 ( -2.654 0.000 5.684) 6.273 30.560 ( 14.036 0.000 -10.681) 17.638 31.667 ( -7.648 0.000 9.191) 11.957 31.856 ( 2.707 0.000 4.300) 5.082 32.311 ( -9.507 0.000 10.069) 13.847 32.563 ( 0.406 0.000 -3.836) 3.857 32.655 ( -2.851 0.000 6.177) 6.803 32.681 ( 2.762 0.000 8.491) 8.929 33.257 ( 12.444 0.000 -5.350) 13.545 33.391 ( 5.189 0.000 -7.255) 8.920 33.983 ( -0.330 0.000 8.186) 8.193 34.107 ( -2.710 0.000 -0.347) 2.732 34.133 ( 7.406 0.000 -0.466) 7.421 34.145 ( -10.057 0.000 -5.869) 11.644 38.218 ( 0.814 0.000 1.367) 1.591 38.245 ( 0.785 0.000 -0.553) 0.960 38.368 ( -9.390 0.000 -1.113) 9.456 38.434 ( 0.232 0.000 -3.163) 3.172 38.729 ( 5.926 0.000 4.077) 7.193 38.918 ( -1.338 0.000 -4.065) 4.280 39.020 ( -3.600 0.000 6.772) 7.670 39.135 ( 5.750 0.000 1.637) 5.978 39.247 ( -5.245 0.000 1.499) 5.455 39.313 ( 4.604 0.000 -1.353) 4.798 39.517 ( 9.143 0.000 11.491) 14.684 39.936 ( -5.903 0.000 -0.664) 5.940 40.313 ( -4.654 0.000 10.759) 11.723 40.729 ( 5.904 0.000 3.328) 6.777 40.760 ( -7.303 0.000 -0.574) 7.326 40.907 ( -2.607 0.000 0.690) 2.697 41.022 ( 1.085 0.000 -14.710) 14.750 41.196 ( -2.501 0.000 -10.099) 10.404 41.464 ( -0.117 0.000 7.145) 7.146 41.650 ( -6.779 0.000 -0.230) 6.783 41.969 ( 4.137 0.000 1.145) 4.293 42.056 ( -4.907 0.000 -4.057) 6.367 42.940 ( -5.218 0.000 3.186) 6.114 43.211 ( 27.754 0.000 -8.740) 29.098 ======================= Grid point 86 (41/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 11.800 0.000 13.319) 17.795 1.892 ( 25.894 0.000 26.686) 37.183 2.393 ( 12.787 0.000 -9.418) 15.881 2.521 ( -0.883 0.000 21.897) 21.915 2.528 ( 17.533 0.000 -0.582) 17.543 2.882 ( 0.834 0.000 -4.298) 4.378 2.949 ( 2.979 0.000 1.035) 3.154 3.116 ( -4.542 0.000 -12.654) 13.445 3.191 ( 10.328 0.000 -3.003) 10.756 3.319 ( 1.310 0.000 4.922) 5.093 3.394 ( 15.555 0.000 17.766) 23.613 3.416 ( 2.829 0.000 -0.493) 2.872 3.552 ( 10.473 0.000 -16.045) 19.161 3.727 ( 2.679 0.000 -1.756) 3.203 3.967 ( -4.922 0.000 -0.874) 4.999 4.139 ( -1.454 0.000 -2.514) 2.904 4.159 ( 9.239 0.000 -5.712) 10.862 4.311 ( -6.702 0.000 -8.344) 10.702 4.431 ( 2.828 0.000 5.183) 5.904 4.498 ( -3.416 0.000 10.512) 11.053 4.692 ( 9.759 0.000 7.784) 12.483 4.810 ( -0.167 0.000 -13.969) 13.970 4.875 ( -6.008 0.000 3.269) 6.840 5.180 ( 4.017 0.000 -5.551) 6.852 5.211 ( -2.663 0.000 9.056) 9.439 5.432 ( 4.180 0.000 -6.044) 7.349 5.451 ( 3.415 0.000 -7.961) 8.662 5.476 ( 6.605 0.000 4.290) 7.876 5.568 ( 0.388 0.000 -2.252) 2.285 5.576 ( 6.266 0.000 -4.790) 7.887 5.684 ( -0.257 0.000 1.073) 1.104 5.801 ( 2.850 0.000 -1.866) 3.407 6.006 ( -8.064 0.000 -4.409) 9.190 6.304 ( -9.684 0.000 -1.828) 9.855 6.408 ( -0.742 0.000 8.177) 8.211 6.623 ( 7.647 0.000 -6.625) 10.118 6.887 ( -4.904 0.000 0.800) 4.969 6.919 ( -3.973 0.000 0.856) 4.064 7.076 ( -6.073 0.000 3.932) 7.235 7.277 ( -6.144 0.000 11.261) 12.828 7.363 ( 1.047 0.000 2.681) 2.878 7.517 ( -1.733 0.000 9.714) 9.868 7.531 ( -1.879 0.000 -4.375) 4.761 7.613 ( 1.215 0.000 -0.313) 1.255 7.716 ( 0.740 0.000 -1.720) 1.873 7.788 ( -12.171 0.000 -7.882) 14.500 8.217 ( -0.407 0.000 4.079) 4.099 8.310 ( -4.573 0.000 -6.274) 7.764 8.869 ( 2.381 0.000 -1.540) 2.835 8.897 ( 4.748 0.000 3.434) 5.860 8.975 ( 7.344 0.000 -2.952) 7.915 9.141 ( 11.811 0.000 -4.368) 12.593 9.786 ( 2.514 0.000 11.584) 11.853 9.995 ( 4.009 0.000 -3.936) 5.619 10.073 ( 8.248 0.000 3.844) 9.100 10.150 ( 2.915 0.000 -4.395) 5.274 10.569 ( 5.670 0.000 0.741) 5.719 10.657 ( 0.839 0.000 -8.826) 8.866 11.305 ( -1.979 0.000 2.095) 2.882 11.424 ( 2.418 0.000 0.193) 2.425 11.739 ( -3.610 0.000 2.266) 4.262 11.767 ( -11.090 0.000 -1.102) 11.145 11.959 ( 4.052 0.000 -0.687) 4.109 12.131 ( 6.082 0.000 1.019) 6.166 12.472 ( -1.763 0.000 5.384) 5.665 12.520 ( -0.385 0.000 1.549) 1.596 12.692 ( 2.349 0.000 -5.401) 5.890 12.994 ( 6.710 0.000 -11.892) 13.654 13.024 ( -3.305 0.000 5.162) 6.130 13.290 ( 3.252 0.000 9.726) 10.255 13.501 ( -0.144 0.000 -3.106) 3.110 13.598 ( 5.525 0.000 7.059) 8.964 13.795 ( 0.957 0.000 8.383) 8.437 14.015 ( 0.179 0.000 -7.956) 7.958 14.584 ( -21.132 0.000 -6.853) 22.216 14.691 ( -7.722 0.000 6.365) 10.008 15.017 ( -6.694 0.000 8.179) 10.569 15.322 ( -2.810 0.000 12.755) 13.061 15.387 ( -1.423 0.000 -6.302) 6.460 16.018 ( -1.369 0.000 2.916) 3.221 16.265 ( -4.408 0.000 5.355) 6.936 16.298 ( -2.650 0.000 -3.456) 4.355 16.573 ( 1.967 0.000 1.050) 2.230 16.688 ( 0.050 0.000 -4.007) 4.008 16.968 ( -3.963 0.000 -7.578) 8.552 17.061 ( -21.302 0.000 5.163) 21.919 17.133 ( -13.898 0.000 -1.951) 14.034 17.351 ( -0.543 0.000 9.830) 9.845 17.492 ( -3.536 0.000 -1.594) 3.879 17.507 ( 7.251 0.000 -13.024) 14.907 17.932 ( 4.082 0.000 -11.455) 12.161 18.218 ( -8.528 0.000 8.807) 12.260 18.427 ( -2.720 0.000 -0.266) 2.733 18.488 ( 14.068 0.000 4.981) 14.924 18.653 ( 4.051 0.000 7.610) 8.621 18.680 ( 6.794 0.000 -4.031) 7.900 18.723 ( -6.017 0.000 -0.119) 6.019 19.139 ( 0.084 0.000 3.727) 3.728 19.146 ( 9.150 0.000 -6.640) 11.305 19.382 ( -3.123 0.000 -0.878) 3.244 19.410 ( 0.857 0.000 -2.653) 2.788 19.605 ( 6.302 0.000 -8.415) 10.513 19.624 ( -2.093 0.000 0.086) 2.095 19.752 ( 1.149 0.000 6.530) 6.630 19.797 ( -0.200 0.000 -0.605) 0.637 19.962 ( 0.494 0.000 -6.223) 6.242 20.209 ( -2.926 0.000 0.885) 3.056 20.326 ( -0.330 0.000 -2.582) 2.603 20.678 ( 0.973 0.000 1.986) 2.212 20.747 ( -10.297 0.000 -4.998) 11.446 20.797 ( 6.978 0.000 -2.303) 7.348 21.275 ( 4.819 0.000 -4.349) 6.491 21.910 ( -4.775 0.000 0.596) 4.812 22.043 ( 0.028 0.000 1.494) 1.494 22.167 ( -1.315 0.000 -0.219) 1.333 22.284 ( 3.030 0.000 -0.246) 3.040 23.026 ( -17.709 0.000 1.449) 17.768 23.051 ( -21.233 0.000 -4.794) 21.768 23.825 ( -23.011 0.000 6.418) 23.889 23.885 ( -17.133 0.000 -4.038) 17.603 24.403 ( 17.327 0.000 -1.994) 17.441 24.421 ( 14.980 0.000 1.012) 15.014 25.145 ( 14.864 0.000 7.242) 16.534 25.577 ( -1.844 0.000 13.557) 13.682 25.653 ( 20.690 0.000 -1.145) 20.722 26.338 ( 3.335 0.000 -17.173) 17.494 26.672 ( -3.860 0.000 -0.153) 3.863 26.711 ( 0.887 0.000 0.449) 0.994 27.049 ( -4.863 0.000 4.014) 6.305 27.190 ( 4.376 0.000 8.386) 9.459 27.679 ( 3.347 0.000 -1.241) 3.569 27.707 ( 0.008 0.000 2.083) 2.083 27.761 ( 2.041 0.000 8.430) 8.674 28.045 ( -0.730 0.000 -5.666) 5.713 28.406 ( -2.960 0.000 10.355) 10.769 28.679 ( 1.000 0.000 -7.831) 7.894 28.700 ( -1.738 0.000 -10.065) 10.214 29.078 ( 7.738 0.000 -14.120) 16.101 29.234 ( 6.170 0.000 0.305) 6.177 29.284 ( 8.465 0.000 0.399) 8.474 29.659 ( 11.705 0.000 2.340) 11.937 29.722 ( 7.579 0.000 -1.524) 7.731 30.141 ( 6.803 0.000 2.563) 7.270 30.804 ( 16.981 0.000 -17.278) 24.226 31.535 ( -11.185 0.000 11.715) 16.197 31.880 ( -2.875 0.000 6.315) 6.939 32.112 ( -15.763 0.000 8.928) 18.116 32.424 ( -11.631 0.000 -4.203) 12.367 32.698 ( 4.079 0.000 4.015) 5.723 32.802 ( 4.893 0.000 6.944) 8.495 33.412 ( 1.397 0.000 -10.485) 10.578 33.455 ( 10.057 0.000 -4.873) 11.176 33.810 ( -16.771 0.000 -5.520) 17.656 34.019 ( -3.533 0.000 8.116) 8.851 34.027 ( -4.733 0.000 0.759) 4.793 34.266 ( 5.383 0.000 -1.063) 5.487 38.068 ( -8.073 0.000 0.895) 8.123 38.154 ( -6.716 0.000 -2.490) 7.162 38.408 ( 3.861 0.000 3.526) 5.228 38.467 ( 1.396 0.000 -0.307) 1.429 38.818 ( -0.216 0.000 3.021) 3.029 38.860 ( -0.352 0.000 -4.168) 4.183 39.008 ( -2.486 0.000 5.881) 6.385 39.167 ( -4.105 0.000 2.838) 4.991 39.265 ( 7.634 0.000 -0.909) 7.688 39.366 ( 1.668 0.000 -0.779) 1.841 39.722 ( -11.596 0.000 -8.777) 14.543 39.739 ( 7.790 0.000 8.659) 11.648 40.293 ( -4.251 0.000 17.359) 17.872 40.704 ( 0.496 0.000 2.193) 2.249 40.794 ( -1.241 0.000 -3.801) 3.998 40.884 ( 1.631 0.000 4.811) 5.080 40.974 ( -12.381 0.000 -7.575) 14.514 41.033 ( 4.574 0.000 -8.409) 9.572 41.515 ( 1.332 0.000 7.566) 7.683 41.534 ( -7.352 0.000 5.721) 9.316 42.078 ( 6.581 0.000 2.189) 6.935 42.120 ( 12.309 0.000 -9.582) 15.599 42.817 ( -7.562 0.000 -2.202) 7.876 43.513 ( 11.426 0.000 -16.279) 19.889 ======================= Grid point 87 (42/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 16.628 0.000 9.817) 19.309 2.370 ( 11.011 0.000 10.042) 14.903 2.423 ( -5.770 0.000 9.868) 11.432 2.719 ( 17.881 0.000 -6.893) 19.163 2.853 ( 9.345 0.000 4.630) 10.430 2.923 ( -5.956 0.000 -7.782) 9.800 2.968 ( 9.244 0.000 -0.150) 9.246 2.983 ( 2.102 0.000 -3.238) 3.860 3.306 ( 4.480 0.000 -3.570) 5.728 3.378 ( -0.328 0.000 4.690) 4.702 3.458 ( 1.262 0.000 -4.269) 4.452 3.558 ( -5.152 0.000 -0.672) 5.196 3.740 ( 2.670 0.000 6.522) 7.047 3.823 ( 4.445 0.000 -0.419) 4.465 3.954 ( 6.709 0.000 -5.169) 8.469 4.170 ( -0.295 0.000 -7.720) 7.726 4.256 ( 11.678 0.000 -2.248) 11.893 4.311 ( 5.294 0.000 -1.044) 5.396 4.470 ( -0.910 0.000 6.044) 6.112 4.470 ( -1.900 0.000 -4.808) 5.170 4.783 ( 5.259 0.000 -4.995) 7.253 4.842 ( 2.588 0.000 11.717) 12.000 5.003 ( 12.184 0.000 10.441) 16.046 5.209 ( -1.465 0.000 0.317) 1.499 5.245 ( 2.287 0.000 5.896) 6.324 5.441 ( 5.349 0.000 -16.076) 16.942 5.461 ( 0.391 0.000 0.057) 0.395 5.517 ( -8.538 0.000 -7.416) 11.309 5.603 ( 4.903 0.000 1.770) 5.213 5.643 ( 4.284 0.000 -5.525) 6.991 5.703 ( 3.611 0.000 0.398) 3.633 5.831 ( 2.952 0.000 -7.399) 7.967 5.932 ( 3.655 0.000 0.381) 3.675 6.128 ( -5.496 0.000 -2.492) 6.035 6.400 ( -2.146 0.000 4.836) 5.291 6.608 ( -7.632 0.000 3.209) 8.279 6.847 ( -7.481 0.000 4.649) 8.808 6.887 ( 4.118 0.000 2.340) 4.737 7.024 ( -0.873 0.000 0.971) 1.306 7.270 ( 5.047 0.000 1.094) 5.164 7.381 ( -12.480 0.000 -1.754) 12.603 7.395 ( -0.110 0.000 3.584) 3.586 7.550 ( -1.764 0.000 12.269) 12.395 7.583 ( -2.665 0.000 -5.423) 6.043 7.670 ( 5.133 0.000 -1.952) 5.492 7.705 ( -0.313 0.000 0.095) 0.327 8.253 ( 6.131 0.000 -4.920) 7.861 8.256 ( 0.159 0.000 -1.044) 1.056 8.913 ( 4.296 0.000 -2.488) 4.964 9.030 ( 6.889 0.000 2.748) 7.416 9.147 ( 7.581 0.000 3.813) 8.486 9.325 ( 8.849 0.000 -4.838) 10.086 9.877 ( 2.611 0.000 5.548) 6.132 10.077 ( 7.492 0.000 -5.825) 9.490 10.243 ( 6.906 0.000 -1.489) 7.065 10.322 ( 12.483 0.000 9.083) 15.438 10.657 ( 3.246 0.000 -5.598) 6.471 10.690 ( 6.250 0.000 -2.618) 6.777 11.262 ( -3.635 0.000 0.239) 3.642 11.433 ( -1.246 0.000 -0.904) 1.539 11.565 ( -8.866 0.000 1.390) 8.974 11.681 ( -3.965 0.000 4.321) 5.864 12.071 ( 7.818 0.000 -0.598) 7.841 12.240 ( 5.297 0.000 -1.321) 5.459 12.440 ( -4.187 0.000 3.860) 5.695 12.514 ( -0.951 0.000 -0.328) 1.006 12.734 ( 4.191 0.000 -3.605) 5.528 12.931 ( -5.875 0.000 -12.703) 13.996 12.999 ( -0.237 0.000 0.808) 0.842 13.392 ( 1.234 0.000 7.260) 7.364 13.535 ( 3.878 0.000 1.734) 4.248 13.673 ( -0.281 0.000 1.519) 1.544 13.853 ( -5.739 0.000 13.764) 14.913 14.061 ( 5.996 0.000 -3.402) 6.894 14.177 ( -12.314 0.000 -3.808) 12.890 14.542 ( -10.321 0.000 6.830) 12.376 14.825 ( -11.898 0.000 3.606) 12.433 15.288 ( -7.926 0.000 -2.583) 8.336 15.411 ( 3.273 0.000 5.128) 6.084 15.780 ( -23.039 0.000 3.827) 23.355 16.089 ( -18.558 0.000 5.651) 19.399 16.233 ( -2.146 0.000 -4.335) 4.837 16.460 ( -10.148 0.000 10.613) 14.684 16.505 ( -12.900 0.000 -8.803) 15.618 16.692 ( -8.483 0.000 -1.961) 8.707 16.975 ( 7.000 0.000 -12.395) 14.235 17.182 ( 11.072 0.000 -1.550) 11.180 17.308 ( -8.004 0.000 6.012) 10.011 17.482 ( 4.767 0.000 4.423) 6.503 17.582 ( 9.044 0.000 -14.659) 17.224 18.012 ( 10.801 0.000 -15.890) 19.213 18.024 ( -16.751 0.000 18.070) 24.639 18.511 ( 9.556 0.000 0.190) 9.558 18.537 ( -15.136 0.000 9.652) 17.952 18.698 ( -2.137 0.000 9.031) 9.280 18.773 ( 10.648 0.000 -0.698) 10.671 18.843 ( 9.112 0.000 -1.515) 9.237 19.205 ( 0.679 0.000 -4.478) 4.530 19.232 ( 7.337 0.000 3.815) 8.270 19.331 ( -2.042 0.000 2.198) 3.001 19.409 ( 1.450 0.000 -4.669) 4.889 19.612 ( -0.309 0.000 1.752) 1.779 19.696 ( 6.686 0.000 -8.735) 11.001 19.772 ( -1.215 0.000 -0.318) 1.256 19.804 ( 0.934 0.000 4.039) 4.146 19.938 ( 1.255 0.000 -9.282) 9.366 20.116 ( -6.337 0.000 -1.042) 6.423 20.290 ( -1.745 0.000 -2.149) 2.768 20.594 ( -1.931 0.000 -8.406) 8.625 20.734 ( 3.266 0.000 5.420) 6.328 20.914 ( 5.526 0.000 -7.302) 9.157 21.281 ( -1.244 0.000 -2.805) 3.068 21.843 ( -2.069 0.000 -0.404) 2.108 22.020 ( -3.368 0.000 0.693) 3.439 22.134 ( -2.043 0.000 -0.908) 2.235 22.321 ( 0.344 0.000 2.781) 2.802 22.591 ( -20.565 0.000 -4.237) 20.997 22.674 ( -16.703 0.000 0.275) 16.705 23.304 ( -29.453 0.000 2.723) 29.578 23.506 ( -16.491 0.000 -8.206) 18.419 24.693 ( 10.807 0.000 1.956) 10.983 24.724 ( 15.734 0.000 -3.812) 16.190 25.532 ( 12.655 0.000 16.042) 20.433 25.682 ( 6.857 0.000 11.207) 13.139 26.070 ( 17.682 0.000 9.327) 19.991 26.310 ( 2.748 0.000 -16.268) 16.498 26.619 ( -0.041 0.000 0.017) 0.045 26.724 ( 0.925 0.000 -1.278) 1.578 26.993 ( -2.198 0.000 2.133) 3.063 27.360 ( 6.905 0.000 6.390) 9.408 27.689 ( -1.652 0.000 -0.560) 1.745 27.738 ( 4.004 0.000 -4.288) 5.867 27.857 ( 0.671 0.000 13.014) 13.031 28.020 ( 1.948 0.000 -4.604) 4.999 28.363 ( -6.966 0.000 10.541) 12.635 28.613 ( -2.018 0.000 -9.726) 9.933 28.731 ( 8.594 0.000 -8.297) 11.945 29.079 ( 1.744 0.000 -10.273) 10.420 29.397 ( 9.627 0.000 0.592) 9.646 29.496 ( 9.990 0.000 -1.863) 10.162 29.931 ( 12.865 0.000 2.376) 13.083 30.009 ( 21.932 0.000 3.862) 22.269 30.358 ( 14.299 0.000 0.002) 14.299 31.033 ( 16.279 0.000 -15.729) 22.637 31.367 ( -11.810 0.000 10.158) 15.578 31.807 ( -19.807 0.000 7.247) 21.091 31.822 ( -6.357 0.000 7.162) 9.576 32.109 ( -17.735 0.000 -4.498) 18.297 32.825 ( 6.748 0.000 1.816) 6.988 32.920 ( 3.346 0.000 5.615) 6.536 33.330 ( -3.795 0.000 -10.466) 11.133 33.445 ( -14.078 0.000 -10.890) 17.799 33.601 ( 5.019 0.000 1.768) 5.322 33.949 ( -2.738 0.000 -1.809) 3.281 33.966 ( -6.292 0.000 8.600) 10.656 34.313 ( 0.265 0.000 -2.017) 2.034 37.972 ( -2.502 0.000 0.154) 2.507 38.034 ( -3.271 0.000 -2.630) 4.197 38.428 ( -4.598 0.000 -1.358) 4.794 38.474 ( 0.975 0.000 3.702) 3.828 38.740 ( -8.489 0.000 2.008) 8.723 38.870 ( 0.896 0.000 -1.527) 1.771 38.966 ( -4.163 0.000 5.520) 6.913 39.130 ( -1.203 0.000 4.505) 4.663 39.340 ( -5.425 0.000 0.338) 5.436 39.422 ( 8.126 0.000 -1.411) 8.248 39.530 ( -0.122 0.000 -7.725) 7.726 39.904 ( 6.054 0.000 2.645) 6.607 40.295 ( -4.755 0.000 14.040) 14.823 40.676 ( -8.543 0.000 -1.796) 8.730 40.719 ( -3.902 0.000 -3.103) 4.985 40.824 ( 2.306 0.000 6.915) 7.289 40.922 ( -0.021 0.000 -1.507) 1.507 41.092 ( 4.753 0.000 -2.597) 5.417 41.428 ( -6.592 0.000 7.001) 9.616 41.593 ( 2.724 0.000 6.742) 7.272 42.255 ( 9.166 0.000 6.481) 11.226 42.335 ( 15.329 0.000 -16.138) 22.258 42.633 ( -8.631 0.000 -7.080) 11.164 43.555 ( 2.859 0.000 -15.379) 15.642 ======================= Grid point 88 (43/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -4.560 0.000 -8.936) 10.032 2.481 ( -1.263 0.000 -0.256) 1.289 2.606 ( 1.933 0.000 13.069) 13.211 2.656 ( -0.243 0.000 -8.563) 8.566 3.011 ( 3.710 0.000 4.235) 5.630 3.026 ( 4.932 0.000 5.160) 7.138 3.050 ( 6.864 0.000 2.277) 7.232 3.281 ( 16.890 0.000 -1.809) 16.987 3.334 ( -11.109 0.000 7.055) 13.160 3.377 ( 5.422 0.000 -2.393) 5.927 3.398 ( -0.950 0.000 1.177) 1.513 3.438 ( -0.605 0.000 -3.009) 3.069 3.800 ( 0.865 0.000 5.995) 6.057 3.805 ( -2.398 0.000 -0.638) 2.481 3.904 ( -7.503 0.000 -5.175) 9.115 4.217 ( -7.246 0.000 -9.070) 11.609 4.277 ( 9.611 0.000 -2.618) 9.961 4.436 ( 6.740 0.000 1.171) 6.841 4.475 ( 3.315 0.000 -1.900) 3.821 4.548 ( 4.575 0.000 8.517) 9.668 4.956 ( 10.412 0.000 0.769) 10.440 5.042 ( 3.056 0.000 6.383) 7.077 5.067 ( -2.400 0.000 5.157) 5.688 5.134 ( -3.463 0.000 -1.158) 3.651 5.143 ( -14.458 0.000 -10.727) 18.003 5.303 ( -3.636 0.000 3.308) 4.916 5.476 ( 4.974 0.000 -15.163) 15.957 5.568 ( 7.544 0.000 -4.255) 8.661 5.670 ( -3.980 0.000 0.077) 3.981 5.709 ( 5.615 0.000 -6.962) 8.944 5.846 ( 12.947 0.000 3.416) 13.390 5.866 ( 5.420 0.000 -7.947) 9.619 6.054 ( 2.646 0.000 4.897) 5.566 6.090 ( 0.459 0.000 2.518) 2.560 6.458 ( 8.782 0.000 -4.424) 9.833 6.463 ( -8.811 0.000 6.454) 10.922 6.675 ( -10.524 0.000 8.276) 13.388 6.962 ( -1.927 0.000 -0.798) 2.086 7.092 ( 9.455 0.000 2.522) 9.785 7.141 ( -7.978 0.000 0.957) 8.035 7.227 ( -6.919 0.000 0.023) 6.919 7.543 ( -4.312 0.000 10.794) 11.623 7.571 ( 9.485 0.000 1.813) 9.656 7.603 ( 2.382 0.000 4.292) 4.908 7.618 ( -6.306 0.000 2.224) 6.687 7.882 ( 16.238 0.000 -8.565) 18.359 8.231 ( -5.818 0.000 4.992) 7.666 8.402 ( 11.989 0.000 -11.719) 16.765 9.035 ( 9.548 0.000 -2.990) 10.005 9.139 ( 2.649 0.000 -0.355) 2.672 9.278 ( 2.902 0.000 6.939) 7.522 9.437 ( 5.826 0.000 -4.080) 7.112 9.960 ( 4.509 0.000 -0.013) 4.509 10.211 ( 7.108 0.000 -5.160) 8.784 10.367 ( 6.226 0.000 -0.120) 6.228 10.570 ( 5.039 0.000 3.578) 6.180 10.705 ( 2.588 0.000 -1.497) 2.990 10.785 ( 6.726 0.000 0.723) 6.764 11.161 ( -5.474 0.000 0.415) 5.490 11.399 ( -1.309 0.000 5.025) 5.193 11.445 ( -3.676 0.000 -3.898) 5.358 11.637 ( -3.453 0.000 6.360) 7.237 12.251 ( 10.606 0.000 -1.310) 10.687 12.301 ( 1.620 0.000 -5.581) 5.811 12.352 ( -5.361 0.000 0.454) 5.380 12.517 ( 3.655 0.000 -1.151) 3.832 12.699 ( -12.471 0.000 -3.533) 12.962 12.782 ( 1.214 0.000 -3.216) 3.438 13.049 ( 6.079 0.000 -2.292) 6.497 13.390 ( -3.526 0.000 1.656) 3.895 13.511 ( -16.332 0.000 1.354) 16.388 13.559 ( -5.676 0.000 4.789) 7.427 13.742 ( -0.539 0.000 5.865) 5.890 14.064 ( -11.340 0.000 9.015) 14.486 14.220 ( 8.069 0.000 9.267) 12.287 14.461 ( 5.122 0.000 -5.635) 7.615 14.738 ( 5.293 0.000 -4.610) 7.019 14.985 ( -21.539 0.000 2.153) 21.647 15.333 ( -24.806 0.000 10.191) 26.818 15.443 ( -1.038 0.000 -1.850) 2.121 15.834 ( -6.480 0.000 3.975) 7.602 16.172 ( -0.769 0.000 -6.021) 6.069 16.231 ( -8.507 0.000 -7.583) 11.396 16.339 ( -6.155 0.000 4.880) 7.855 16.643 ( 0.052 0.000 -2.625) 2.625 16.965 ( -1.921 0.000 -10.839) 11.008 17.247 ( -0.043 0.000 2.551) 2.551 17.312 ( 2.755 0.000 -2.057) 3.438 17.627 ( -0.206 0.000 8.035) 8.038 17.783 ( 18.008 0.000 -12.214) 21.759 17.867 ( -5.910 0.000 25.396) 26.074 18.174 ( 13.436 0.000 -12.995) 18.692 18.261 ( -15.802 0.000 10.310) 18.868 18.632 ( -8.292 0.000 6.519) 10.548 18.736 ( 9.479 0.000 -5.538) 10.978 18.854 ( -3.281 0.000 -2.094) 3.893 18.949 ( 7.710 0.000 -0.249) 7.714 19.258 ( 5.255 0.000 -2.796) 5.953 19.320 ( -1.102 0.000 3.763) 3.921 19.416 ( 2.942 0.000 -3.463) 4.544 19.435 ( 9.094 0.000 6.636) 11.257 19.608 ( -1.795 0.000 3.937) 4.327 19.726 ( 1.755 0.000 -4.072) 4.434 19.801 ( 3.937 0.000 -3.959) 5.583 19.811 ( -1.782 0.000 1.967) 2.654 19.908 ( 1.081 0.000 -11.828) 11.878 19.987 ( -5.176 0.000 -2.338) 5.679 20.239 ( -2.084 0.000 -3.650) 4.203 20.548 ( 0.850 0.000 -7.620) 7.668 20.834 ( -8.414 0.000 -10.964) 13.820 20.866 ( 6.438 0.000 6.973) 9.490 21.286 ( 4.382 0.000 -4.643) 6.385 21.825 ( 0.497 0.000 -0.830) 0.967 21.921 ( -5.924 0.000 -0.180) 5.926 22.066 ( -4.315 0.000 0.136) 4.317 22.245 ( -11.260 0.000 -3.651) 11.837 22.368 ( 0.081 0.000 6.275) 6.275 22.445 ( -5.790 0.000 -2.147) 6.175 22.797 ( -22.536 0.000 3.284) 22.774 23.203 ( -9.497 0.000 -8.819) 12.960 24.846 ( 3.878 0.000 2.661) 4.704 24.945 ( 9.091 0.000 -5.119) 10.433 25.664 ( -4.985 0.000 18.409) 19.072 25.988 ( 14.854 0.000 10.207) 18.023 26.275 ( 2.210 0.000 -14.621) 14.787 26.384 ( 8.235 0.000 12.564) 15.022 26.708 ( 8.141 0.000 2.006) 8.384 26.752 ( 3.116 0.000 -1.594) 3.500 26.985 ( 0.086 0.000 1.827) 1.829 27.425 ( -1.340 0.000 -3.052) 3.334 27.653 ( -0.829 0.000 -1.860) 2.036 27.790 ( 0.146 0.000 -1.264) 1.272 27.901 ( -3.681 0.000 13.334) 13.833 28.087 ( 8.341 0.000 -5.463) 9.971 28.265 ( -8.363 0.000 10.709) 13.587 28.541 ( 0.363 0.000 -8.063) 8.071 28.891 ( 10.746 0.000 -7.416) 13.057 29.054 ( 0.408 0.000 -8.548) 8.557 29.567 ( 6.065 0.000 2.001) 6.387 29.639 ( 5.767 0.000 -0.808) 5.823 30.214 ( 13.273 0.000 6.279) 14.683 30.463 ( 20.323 0.000 4.108) 20.734 30.672 ( 17.451 0.000 -1.064) 17.483 31.195 ( -9.179 0.000 4.314) 10.142 31.299 ( 18.155 0.000 -8.722) 20.142 31.423 ( -22.760 0.000 4.270) 23.157 31.709 ( -21.576 0.000 2.987) 21.782 31.728 ( -4.541 0.000 -3.307) 5.617 32.944 ( 3.346 0.000 1.919) 3.857 32.977 ( -0.691 0.000 4.698) 4.749 33.153 ( -10.670 0.000 -5.947) 12.215 33.191 ( -4.033 0.000 -8.891) 9.763 33.705 ( 5.292 0.000 -0.539) 5.319 33.885 ( -6.210 0.000 9.223) 11.118 33.903 ( -0.461 0.000 -4.121) 4.147 34.272 ( -2.145 0.000 -3.956) 4.500 37.961 ( 1.170 0.000 -0.173) 1.183 38.016 ( 2.616 0.000 -1.525) 3.028 38.309 ( -5.600 0.000 -3.318) 6.509 38.484 ( -2.150 0.000 -1.601) 2.681 38.560 ( -8.826 0.000 5.013) 10.151 38.806 ( -5.434 0.000 -0.579) 5.465 38.952 ( -1.174 0.000 4.730) 4.873 39.164 ( 0.607 0.000 8.188) 8.210 39.213 ( -4.524 0.000 -4.164) 6.148 39.549 ( 4.239 0.000 4.128) 5.917 39.598 ( 7.616 0.000 -4.920) 9.067 39.995 ( 3.167 0.000 -3.069) 4.410 40.270 ( -3.260 0.000 9.116) 9.681 40.515 ( -7.600 0.000 3.340) 8.302 40.609 ( -5.626 0.000 -2.353) 6.098 40.892 ( 0.285 0.000 -7.036) 7.042 40.929 ( 0.992 0.000 10.559) 10.606 41.177 ( 4.446 0.000 -0.918) 4.540 41.388 ( -0.530 0.000 8.810) 8.826 41.680 ( 1.952 0.000 7.630) 7.876 42.397 ( -8.169 0.000 -7.342) 10.983 42.497 ( 7.752 0.000 7.747) 10.959 42.513 ( 12.421 0.000 -20.787) 24.215 43.489 ( -1.495 0.000 -14.344) 14.422 ======================= Grid point 89 (44/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -9.144 0.000 -2.174) 9.399 2.240 ( -14.558 0.000 -6.192) 15.820 2.651 ( 0.835 0.000 2.942) 3.058 2.741 ( 5.469 0.000 -2.066) 5.846 3.036 ( -2.157 0.000 2.891) 3.607 3.092 ( -0.533 0.000 4.811) 4.841 3.202 ( -3.210 0.000 6.516) 7.263 3.249 ( 6.187 0.000 9.254) 11.132 3.369 ( -7.910 0.000 -2.614) 8.331 3.392 ( -0.160 0.000 -4.599) 4.602 3.448 ( 2.353 0.000 4.351) 4.947 3.460 ( 4.893 0.000 0.985) 4.992 3.742 ( -5.314 0.000 -2.466) 5.859 3.844 ( -0.089 0.000 6.530) 6.530 3.844 ( 3.071 0.000 -8.446) 8.987 4.168 ( 9.602 0.000 5.729) 11.182 4.366 ( 1.261 0.000 -7.626) 7.730 4.502 ( -5.334 0.000 5.591) 7.728 4.576 ( 7.078 0.000 -1.501) 7.236 4.670 ( -3.231 0.000 -4.793) 5.780 4.729 ( -5.387 0.000 -3.619) 6.489 4.976 ( -5.717 0.000 1.821) 6.000 5.042 ( 1.130 0.000 -1.738) 2.074 5.124 ( -2.533 0.000 6.274) 6.766 5.207 ( 8.235 0.000 0.721) 8.266 5.351 ( 5.971 0.000 -2.331) 6.410 5.446 ( -2.508 0.000 -7.039) 7.473 5.536 ( -4.393 0.000 -8.527) 9.592 5.620 ( 0.499 0.000 -4.432) 4.460 5.803 ( 6.402 0.000 -12.111) 13.699 5.933 ( 3.167 0.000 -3.215) 4.513 6.003 ( -4.710 0.000 -0.077) 4.710 6.128 ( 1.335 0.000 5.437) 5.598 6.148 ( 11.811 0.000 8.878) 14.775 6.354 ( -5.012 0.000 6.138) 7.924 6.540 ( -1.249 0.000 -7.409) 7.513 6.616 ( 0.883 0.000 7.207) 7.260 6.888 ( 3.649 0.000 -7.726) 8.544 7.098 ( -5.461 0.000 -0.467) 5.481 7.125 ( 2.055 0.000 2.778) 3.455 7.350 ( 11.849 0.000 7.492) 14.019 7.456 ( -10.580 0.000 -1.216) 10.650 7.470 ( -11.199 0.000 14.849) 18.599 7.660 ( -0.423 0.000 4.664) 4.684 7.682 ( 1.240 0.000 2.959) 3.208 8.063 ( -13.582 0.000 7.329) 15.433 8.103 ( 7.502 0.000 -8.118) 11.054 8.508 ( 3.049 0.000 -10.964) 11.380 9.133 ( -1.434 0.000 -4.332) 4.564 9.199 ( 7.072 0.000 -2.397) 7.468 9.323 ( -1.900 0.000 6.063) 6.353 9.521 ( 3.875 0.000 -2.496) 4.610 10.053 ( 4.955 0.000 0.356) 4.968 10.174 ( -6.898 0.000 -8.351) 10.832 10.474 ( 3.186 0.000 1.351) 3.461 10.530 ( -5.562 0.000 -2.723) 6.193 10.742 ( 2.042 0.000 3.871) 4.377 10.894 ( -0.784 0.000 1.445) 1.644 11.159 ( 4.410 0.000 2.890) 5.273 11.352 ( -2.783 0.000 -8.055) 8.522 11.526 ( 10.756 0.000 8.818) 13.909 11.598 ( -3.205 0.000 3.555) 4.786 12.206 ( -7.530 0.000 -2.594) 7.964 12.270 ( -0.430 0.000 -5.608) 5.625 12.405 ( -6.883 0.000 1.761) 7.105 12.541 ( -7.015 0.000 -0.970) 7.081 12.543 ( 7.947 0.000 2.690) 8.390 12.762 ( 4.043 0.000 -4.998) 6.429 13.200 ( 9.583 0.000 -0.744) 9.612 13.254 ( -10.695 0.000 -1.145) 10.756 13.417 ( 7.835 0.000 1.493) 7.976 13.454 ( -2.223 0.000 -0.190) 2.231 13.807 ( -15.135 0.000 7.844) 17.047 13.815 ( 1.051 0.000 10.025) 10.080 14.448 ( 8.393 0.000 8.247) 11.767 14.595 ( 7.377 0.000 -6.931) 10.122 14.651 ( -9.534 0.000 3.688) 10.222 14.931 ( 14.116 0.000 -3.632) 14.575 14.965 ( -15.549 0.000 9.451) 18.196 15.388 ( -0.376 0.000 -6.304) 6.315 15.847 ( 3.364 0.000 5.734) 6.647 16.128 ( 1.078 0.000 -4.714) 4.835 16.175 ( 4.491 0.000 -4.302) 6.219 16.272 ( -2.511 0.000 1.046) 2.720 16.600 ( -3.199 0.000 -2.889) 4.310 16.864 ( -2.205 0.000 -6.909) 7.253 17.285 ( 2.555 0.000 -0.337) 2.577 17.326 ( 1.164 0.000 -3.233) 3.437 17.499 ( -13.717 0.000 12.561) 18.599 17.827 ( -16.373 0.000 19.333) 25.334 18.029 ( 8.863 0.000 -9.043) 12.662 18.295 ( 13.682 0.000 4.590) 14.431 18.385 ( 13.391 0.000 -7.358) 15.279 18.484 ( -10.559 0.000 15.213) 18.518 18.549 ( -10.010 0.000 -5.866) 11.602 19.042 ( 10.186 0.000 -4.031) 10.954 19.075 ( 4.888 0.000 0.503) 4.914 19.263 ( 0.375 0.000 -5.792) 5.804 19.322 ( 0.216 0.000 1.237) 1.256 19.514 ( 8.208 0.000 -6.211) 10.293 19.538 ( -3.570 0.000 1.552) 3.892 19.578 ( -3.368 0.000 7.509) 8.229 19.756 ( 1.399 0.000 -2.228) 2.631 19.814 ( 0.099 0.000 0.673) 0.680 19.834 ( -1.651 0.000 -12.255) 12.366 19.848 ( 2.464 0.000 -2.419) 3.453 19.922 ( 1.683 0.000 1.409) 2.195 20.159 ( -3.385 0.000 -6.603) 7.420 20.544 ( 1.877 0.000 -3.325) 3.818 20.605 ( -6.950 0.000 -8.681) 11.120 21.025 ( 5.779 0.000 5.434) 7.932 21.358 ( 6.263 0.000 -10.917) 12.586 21.817 ( -5.749 0.000 0.282) 5.756 21.856 ( 3.370 0.000 -1.026) 3.523 22.029 ( 1.619 0.000 1.374) 2.124 22.053 ( -4.962 0.000 -0.695) 5.011 22.350 ( -6.915 0.000 -1.664) 7.113 22.394 ( 0.374 0.000 -2.231) 2.262 22.599 ( 1.160 0.000 12.972) 13.024 23.054 ( -0.920 0.000 -9.097) 9.143 24.877 ( -1.973 0.000 2.228) 2.976 25.016 ( 0.857 0.000 -4.606) 4.685 25.623 ( -7.539 0.000 17.373) 18.939 26.245 ( 1.714 0.000 -11.228) 11.358 26.312 ( 13.157 0.000 8.608) 15.723 26.537 ( 4.134 0.000 3.395) 5.350 26.815 ( 2.012 0.000 3.593) 4.118 26.847 ( -0.492 0.000 7.623) 7.639 27.037 ( 6.404 0.000 -1.249) 6.524 27.331 ( -3.728 0.000 -11.124) 11.732 27.656 ( -11.415 0.000 -0.777) 11.441 27.661 ( 2.566 0.000 0.261) 2.579 27.841 ( -8.998 0.000 10.152) 13.566 28.169 ( -7.608 0.000 12.611) 14.728 28.269 ( 11.358 0.000 -6.043) 12.866 28.548 ( 3.114 0.000 -4.723) 5.657 28.985 ( -3.731 0.000 -7.503) 8.380 29.016 ( 5.081 0.000 -6.303) 8.096 29.628 ( -1.001 0.000 2.100) 2.327 29.712 ( 1.878 0.000 0.002) 1.878 30.489 ( 9.983 0.000 8.243) 12.946 30.747 ( 1.122 0.000 5.076) 5.198 30.957 ( 9.331 0.000 -0.476) 9.343 30.985 ( -20.895 0.000 5.051) 21.496 31.112 ( 2.848 0.000 -4.733) 5.524 31.295 ( -19.805 0.000 0.450) 19.811 31.646 ( 20.074 0.000 -3.954) 20.460 31.699 ( 5.548 0.000 -6.394) 8.466 32.902 ( -8.290 0.000 2.751) 8.735 32.934 ( -5.404 0.000 4.151) 6.814 33.014 ( -2.298 0.000 -1.513) 2.751 33.131 ( 1.825 0.000 -6.419) 6.673 33.789 ( 2.107 0.000 0.523) 2.170 33.861 ( 0.463 0.000 9.209) 9.221 33.881 ( 0.572 0.000 -5.315) 5.345 34.216 ( -0.553 0.000 -5.488) 5.515 38.011 ( 3.932 0.000 0.124) 3.934 38.096 ( 4.203 0.000 -2.456) 4.868 38.210 ( -0.863 0.000 -1.871) 2.061 38.321 ( -8.057 0.000 -5.334) 9.663 38.552 ( 0.728 0.000 7.732) 7.766 38.711 ( -3.425 0.000 0.177) 3.429 38.948 ( -1.702 0.000 4.822) 5.114 39.134 ( -1.592 0.000 -3.891) 4.204 39.213 ( -0.818 0.000 9.728) 9.762 39.632 ( 1.279 0.000 2.112) 2.469 39.716 ( 6.808 0.000 -2.965) 7.426 39.983 ( -1.947 0.000 -6.837) 7.109 40.281 ( -0.729 0.000 7.744) 7.778 40.428 ( -3.104 0.000 7.796) 8.391 40.503 ( -3.336 0.000 -2.791) 4.350 40.876 ( 2.134 0.000 -8.001) 8.281 40.946 ( -3.569 0.000 9.137) 9.809 41.246 ( 3.315 0.000 -1.373) 3.589 41.512 ( 6.119 0.000 14.116) 15.386 41.732 ( -1.446 0.000 8.473) 8.596 42.158 ( -9.599 0.000 -10.824) 14.467 42.582 ( 6.663 0.000 -24.798) 25.678 42.705 ( 6.542 0.000 11.746) 13.444 43.345 ( -5.818 0.000 -14.106) 15.259 ======================= Grid point 90 (45/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -17.578 0.000 3.768) 17.978 1.927 ( -12.391 0.000 13.809) 18.553 2.708 ( 2.848 0.000 3.670) 4.646 2.760 ( -3.885 0.000 -3.560) 5.269 2.961 ( -7.255 0.000 1.673) 7.445 3.069 ( -3.502 0.000 3.211) 4.752 3.187 ( -3.854 0.000 2.235) 4.455 3.204 ( -0.545 0.000 6.218) 6.242 3.312 ( -7.290 0.000 -4.995) 8.838 3.420 ( 3.895 0.000 -3.689) 5.365 3.524 ( 0.311 0.000 5.491) 5.500 3.585 ( 6.768 0.000 0.023) 6.769 3.629 ( -4.984 0.000 3.493) 6.086 3.802 ( 0.393 0.000 -12.348) 12.354 3.824 ( -6.336 0.000 5.637) 8.481 4.254 ( -7.902 0.000 -8.251) 11.425 4.285 ( -2.883 0.000 -1.103) 3.086 4.536 ( -4.774 0.000 5.785) 7.500 4.539 ( 16.731 0.000 5.287) 17.546 4.657 ( 4.109 0.000 -6.664) 7.829 4.809 ( 1.652 0.000 6.134) 6.352 4.851 ( -7.911 0.000 -5.919) 9.880 5.065 ( 1.098 0.000 -1.291) 1.695 5.180 ( 5.067 0.000 9.377) 10.659 5.239 ( -5.041 0.000 -7.279) 8.854 5.381 ( -1.878 0.000 -3.602) 4.062 5.425 ( 2.916 0.000 -5.323) 6.069 5.475 ( 3.552 0.000 -1.848) 4.004 5.583 ( -0.352 0.000 -2.826) 2.848 5.753 ( -6.786 0.000 -9.081) 11.336 5.846 ( -9.825 0.000 -1.182) 9.896 5.919 ( -1.292 0.000 -9.069) 9.160 6.172 ( -2.655 0.000 5.435) 6.048 6.384 ( 7.595 0.000 1.204) 7.690 6.400 ( -3.577 0.000 -6.495) 7.415 6.461 ( 12.268 0.000 7.931) 14.609 6.760 ( 8.529 0.000 8.929) 12.348 6.986 ( 2.153 0.000 -5.912) 6.291 7.022 ( -2.765 0.000 -1.014) 2.945 7.180 ( -4.106 0.000 5.351) 6.744 7.194 ( -13.169 0.000 -4.706) 13.984 7.283 ( -3.362 0.000 10.447) 10.975 7.578 ( 4.457 0.000 9.812) 10.777 7.636 ( -1.309 0.000 0.996) 1.645 7.682 ( -2.215 0.000 2.341) 3.223 7.875 ( -6.644 0.000 6.736) 9.462 8.061 ( -6.337 0.000 -4.685) 7.881 8.386 ( -9.559 0.000 -6.283) 11.439 9.049 ( -4.175 0.000 -5.237) 6.697 9.242 ( -1.501 0.000 -2.032) 2.526 9.278 ( -5.106 0.000 4.505) 6.810 9.523 ( -2.716 0.000 -2.541) 3.719 10.029 ( -0.257 0.000 -9.290) 9.293 10.112 ( -2.278 0.000 2.098) 3.097 10.389 ( -6.814 0.000 -2.430) 7.235 10.498 ( -1.851 0.000 4.564) 4.925 10.782 ( -1.488 0.000 2.648) 3.037 10.788 ( -8.378 0.000 -0.805) 8.416 11.264 ( 2.831 0.000 5.167) 5.892 11.269 ( -0.941 0.000 -6.550) 6.617 11.607 ( 5.130 0.000 -3.008) 5.947 11.781 ( 8.760 0.000 3.830) 9.561 12.062 ( -6.172 0.000 7.904) 10.029 12.200 ( -6.822 0.000 -2.206) 7.170 12.299 ( -1.589 0.000 -2.207) 2.719 12.380 ( -3.165 0.000 -2.476) 4.018 12.738 ( 7.434 0.000 0.307) 7.440 12.830 ( 2.718 0.000 -3.465) 4.404 13.028 ( -10.172 0.000 -1.559) 10.291 13.384 ( 7.927 0.000 1.940) 8.161 13.531 ( 4.770 0.000 2.504) 5.387 13.585 ( -1.722 0.000 5.122) 5.404 13.672 ( 3.498 0.000 3.904) 5.242 13.792 ( -7.340 0.000 9.307) 11.854 14.582 ( -3.671 0.000 -8.666) 9.412 14.591 ( 9.480 0.000 1.741) 9.639 14.771 ( 18.565 0.000 0.197) 18.566 15.014 ( 15.245 0.000 8.974) 17.690 15.155 ( 8.206 0.000 -1.274) 8.304 15.415 ( 3.573 0.000 3.071) 4.711 15.980 ( 6.232 0.000 6.645) 9.110 16.210 ( 10.640 0.000 -10.350) 14.843 16.243 ( -0.392 0.000 -1.932) 1.971 16.311 ( 10.382 0.000 2.152) 10.602 16.493 ( -6.593 0.000 -0.531) 6.615 16.843 ( 3.874 0.000 -5.198) 6.482 17.263 ( -15.070 0.000 7.277) 16.735 17.335 ( 2.630 0.000 -2.555) 3.667 17.346 ( 2.859 0.000 -2.647) 3.896 17.621 ( -11.273 0.000 11.304) 15.964 17.909 ( -12.232 0.000 -8.350) 14.810 18.305 ( -9.295 0.000 12.930) 15.925 18.474 ( 0.381 0.000 4.123) 4.140 18.619 ( 12.263 0.000 -4.581) 13.090 18.647 ( 9.197 0.000 9.630) 13.316 19.115 ( 4.475 0.000 -12.224) 13.017 19.133 ( 0.711 0.000 2.065) 2.184 19.204 ( -3.917 0.000 -7.864) 8.785 19.338 ( -0.050 0.000 -1.844) 1.845 19.412 ( -6.369 0.000 3.858) 7.447 19.567 ( -1.788 0.000 5.703) 5.977 19.605 ( -5.273 0.000 -3.180) 6.158 19.686 ( 2.599 0.000 -7.757) 8.181 19.773 ( -1.495 0.000 -0.749) 1.673 19.833 ( 6.954 0.000 -9.570) 11.829 19.887 ( 1.765 0.000 -1.436) 2.276 20.050 ( 5.804 0.000 5.047) 7.692 20.058 ( -1.899 0.000 -5.433) 5.755 20.508 ( 1.346 0.000 -8.241) 8.350 20.584 ( 2.496 0.000 1.040) 2.704 21.134 ( 3.442 0.000 2.615) 4.323 21.327 ( -4.235 0.000 -16.159) 16.705 21.753 ( 1.172 0.000 3.653) 3.836 21.939 ( 4.655 0.000 0.342) 4.668 22.115 ( 10.734 0.000 1.431) 10.829 22.160 ( 11.132 0.000 0.002) 11.132 22.205 ( -5.530 0.000 -1.823) 5.823 22.399 ( -0.060 0.000 1.166) 1.167 22.822 ( 12.458 0.000 12.098) 17.365 23.089 ( 9.857 0.000 -8.218) 12.834 24.797 ( -7.230 0.000 2.065) 7.519 24.931 ( -7.561 0.000 -2.711) 8.032 25.581 ( -5.878 0.000 16.107) 17.146 26.222 ( 0.621 0.000 -7.192) 7.219 26.569 ( 8.445 0.000 2.980) 8.956 26.569 ( -0.450 0.000 -12.843) 12.851 26.766 ( -9.891 0.000 7.561) 12.450 26.869 ( 0.955 0.000 11.296) 11.336 27.138 ( 0.928 0.000 2.586) 2.747 27.153 ( -6.608 0.000 -18.941) 20.061 27.461 ( -6.927 0.000 4.571) 8.299 27.680 ( -9.130 0.000 4.969) 10.395 27.764 ( 5.362 0.000 3.582) 6.448 28.109 ( -5.312 0.000 14.301) 15.256 28.410 ( 5.909 0.000 -6.929) 9.107 28.591 ( 2.921 0.000 -2.288) 3.710 28.827 ( -7.279 0.000 -8.212) 10.974 29.027 ( -0.263 0.000 -5.285) 5.292 29.559 ( -6.706 0.000 1.869) 6.961 29.702 ( -2.992 0.000 -1.312) 3.267 30.404 ( -26.359 0.000 2.814) 26.509 30.584 ( -7.038 0.000 8.158) 10.775 30.795 ( -19.057 0.000 -8.907) 21.036 30.813 ( -5.878 0.000 -1.672) 6.112 31.217 ( 7.868 0.000 9.000) 11.954 31.296 ( 14.095 0.000 -0.995) 14.130 31.908 ( 19.092 0.000 -11.323) 22.197 31.997 ( 16.124 0.000 0.684) 16.139 32.764 ( -7.858 0.000 5.814) 9.775 32.837 ( -6.878 0.000 6.913) 9.752 32.974 ( -0.489 0.000 -3.691) 3.723 33.154 ( 2.968 0.000 -3.211) 4.373 33.817 ( 0.994 0.000 2.996) 3.157 33.871 ( 1.669 0.000 -5.666) 5.906 33.977 ( 5.409 0.000 8.272) 9.883 34.196 ( 1.111 0.000 -5.561) 5.671 38.077 ( -0.524 0.000 -4.978) 5.005 38.089 ( 2.277 0.000 -3.426) 4.113 38.194 ( -0.380 0.000 -0.478) 0.611 38.319 ( 7.748 0.000 1.750) 7.943 38.640 ( 3.849 0.000 8.477) 9.310 38.698 ( 2.283 0.000 1.357) 2.656 38.947 ( -1.051 0.000 6.422) 6.508 39.106 ( 0.615 0.000 -3.217) 3.276 39.226 ( -2.853 0.000 8.570) 9.032 39.573 ( -6.320 0.000 -7.864) 10.089 39.831 ( 4.861 0.000 2.480) 5.457 39.854 ( -6.967 0.000 -7.958) 10.577 40.277 ( -4.310 0.000 12.423) 13.150 40.461 ( 0.431 0.000 -2.465) 2.502 40.541 ( 9.875 0.000 7.455) 12.374 40.886 ( 2.841 0.000 -7.267) 7.803 40.930 ( -1.750 0.000 7.170) 7.381 41.295 ( 2.396 0.000 -1.237) 2.696 41.682 ( -7.455 0.000 2.172) 7.765 41.739 ( 8.084 0.000 18.882) 20.540 41.955 ( -5.689 0.000 -5.007) 7.579 42.498 ( -1.212 0.000 -28.143) 28.169 42.862 ( 3.316 0.000 11.352) 11.826 43.108 ( -10.972 0.000 -14.235) 17.973 ======================= Grid point 91 (46/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -15.639 0.000 19.870) 25.287 1.809 ( -12.211 0.000 30.562) 32.911 2.568 ( -39.770 0.000 -3.838) 39.955 2.615 ( -6.275 0.000 -1.771) 6.520 2.770 ( -0.922 0.000 4.942) 5.027 2.978 ( -13.540 0.000 1.703) 13.646 3.013 ( -2.574 0.000 -0.797) 2.694 3.193 ( -9.593 0.000 6.888) 11.809 3.245 ( 4.396 0.000 5.009) 6.664 3.325 ( -6.371 0.000 -2.380) 6.801 3.470 ( 2.886 0.000 -7.883) 8.395 3.628 ( -3.748 0.000 -2.367) 4.433 3.710 ( -3.560 0.000 -3.379) 4.908 3.778 ( 3.570 0.000 -9.672) 10.310 3.829 ( 12.335 0.000 8.750) 15.123 4.208 ( 3.202 0.000 -5.344) 6.230 4.228 ( -2.119 0.000 -1.836) 2.803 4.519 ( -1.519 0.000 2.726) 3.121 4.627 ( -10.660 0.000 -2.871) 11.040 4.633 ( 1.426 0.000 -10.050) 10.150 4.834 ( -2.006 0.000 7.432) 7.698 4.837 ( 2.548 0.000 8.261) 8.645 4.987 ( -16.560 0.000 0.598) 16.571 5.106 ( 5.351 0.000 -8.764) 10.268 5.336 ( 2.297 0.000 8.780) 9.076 5.339 ( 2.776 0.000 -5.380) 6.054 5.434 ( 1.750 0.000 5.315) 5.595 5.436 ( -15.503 0.000 -0.895) 15.529 5.597 ( 1.715 0.000 -7.532) 7.725 5.606 ( 4.868 0.000 -4.445) 6.592 5.648 ( -7.375 0.000 -4.780) 8.789 5.772 ( -8.137 0.000 -11.514) 14.099 6.139 ( 0.918 0.000 0.336) 0.978 6.299 ( -2.409 0.000 -4.554) 5.152 6.584 ( 10.550 0.000 -2.875) 10.935 6.682 ( -17.116 0.000 2.496) 17.298 6.753 ( 7.634 0.000 6.526) 10.043 6.851 ( -8.845 0.000 -3.148) 9.389 7.009 ( 7.930 0.000 14.566) 16.585 7.092 ( 5.052 0.000 -6.295) 8.071 7.292 ( 8.983 0.000 6.215) 10.924 7.375 ( -1.164 0.000 7.907) 7.992 7.597 ( -2.502 0.000 0.855) 2.644 7.644 ( -1.889 0.000 0.675) 2.006 7.696 ( 10.575 0.000 -1.187) 10.641 7.910 ( -6.009 0.000 -1.595) 6.218 7.967 ( 10.602 0.000 4.624) 11.567 8.164 ( -8.545 0.000 -3.382) 9.190 8.938 ( -4.808 0.000 -2.851) 5.589 9.142 ( -7.132 0.000 -1.706) 7.333 9.187 ( -5.898 0.000 2.272) 6.321 9.390 ( -9.506 0.000 -2.634) 9.864 9.939 ( -12.752 0.000 -2.606) 13.016 10.033 ( 2.907 0.000 -7.620) 8.155 10.255 ( -7.116 0.000 -0.683) 7.149 10.455 ( -5.915 0.000 6.684) 8.926 10.613 ( -8.500 0.000 0.295) 8.506 10.720 ( -2.624 0.000 -4.181) 4.936 11.256 ( 1.168 0.000 -1.132) 1.627 11.345 ( 2.524 0.000 5.342) 5.908 11.726 ( 7.725 0.000 -4.114) 8.752 11.860 ( 1.201 0.000 -2.821) 3.066 12.014 ( -9.806 0.000 0.423) 9.815 12.105 ( 1.696 0.000 16.217) 16.305 12.290 ( 2.410 0.000 -6.408) 6.846 12.398 ( 4.643 0.000 -2.021) 5.064 12.807 ( -3.727 0.000 -1.288) 3.944 12.854 ( 3.635 0.000 -5.036) 6.211 12.880 ( -2.320 0.000 4.936) 5.454 13.444 ( -9.484 0.000 7.204) 11.910 13.466 ( -5.315 0.000 2.458) 5.855 13.528 ( -2.450 0.000 6.151) 6.621 13.661 ( -5.336 0.000 5.465) 7.638 14.014 ( 20.935 0.000 1.780) 21.011 14.440 ( -3.671 0.000 -10.648) 11.263 14.931 ( 19.132 0.000 0.701) 19.145 15.160 ( 18.434 0.000 0.343) 18.437 15.199 ( -2.541 0.000 0.321) 2.561 15.479 ( 24.652 0.000 -5.161) 25.187 15.507 ( -0.387 0.000 14.623) 14.628 16.156 ( 9.368 0.000 8.218) 12.462 16.235 ( -0.975 0.000 0.554) 1.122 16.353 ( 6.630 0.000 -4.368) 7.939 16.377 ( -1.743 0.000 -1.085) 2.053 16.616 ( 18.601 0.000 2.948) 18.833 16.944 ( 1.268 0.000 -5.522) 5.666 17.029 ( -2.276 0.000 0.145) 2.281 17.368 ( 1.009 0.000 -1.273) 1.624 17.418 ( 5.310 0.000 -0.918) 5.389 17.542 ( 0.368 0.000 2.690) 2.715 17.659 ( -7.725 0.000 -5.344) 9.393 18.229 ( -4.417 0.000 9.749) 10.703 18.471 ( -3.385 0.000 6.629) 7.443 18.722 ( -4.733 0.000 4.742) 6.700 18.794 ( 5.420 0.000 1.015) 5.514 18.959 ( -9.844 0.000 -10.354) 14.287 19.127 ( -1.924 0.000 0.638) 2.027 19.221 ( 5.622 0.000 -13.374) 14.508 19.306 ( -2.405 0.000 -0.206) 2.413 19.377 ( -0.445 0.000 4.537) 4.559 19.442 ( -4.390 0.000 -6.159) 7.564 19.572 ( -0.961 0.000 6.474) 6.545 19.647 ( -4.313 0.000 -9.137) 10.104 19.780 ( 2.282 0.000 -1.525) 2.745 19.790 ( -4.919 0.000 -4.089) 6.396 19.929 ( 3.919 0.000 -2.620) 4.714 20.133 ( 7.681 0.000 -3.385) 8.394 20.156 ( 2.639 0.000 4.271) 5.021 20.563 ( 8.261 0.000 -8.305) 11.714 20.634 ( 0.946 0.000 3.870) 3.984 21.115 ( -6.874 0.000 -11.255) 13.189 21.193 ( 1.525 0.000 1.088) 1.873 21.845 ( 6.262 0.000 -2.306) 6.674 22.015 ( 2.477 0.000 1.436) 2.863 22.124 ( -1.819 0.000 -1.421) 2.308 22.325 ( -1.293 0.000 1.007) 1.639 22.458 ( 21.548 0.000 4.752) 22.065 22.506 ( 16.725 0.000 1.222) 16.769 23.177 ( 18.100 0.000 9.189) 20.299 23.358 ( 20.163 0.000 -2.772) 20.353 24.623 ( -11.583 0.000 1.283) 11.654 24.703 ( -14.569 0.000 -0.807) 14.592 25.543 ( -7.373 0.000 15.973) 17.593 26.134 ( -10.123 0.000 -8.387) 13.146 26.391 ( -4.363 0.000 -14.406) 15.053 26.416 ( -21.826 0.000 1.835) 21.903 26.753 ( 4.081 0.000 -7.529) 8.564 26.908 ( -4.391 0.000 -15.874) 16.470 27.009 ( 4.402 0.000 2.425) 5.026 27.124 ( -6.032 0.000 21.290) 22.128 27.461 ( 2.934 0.000 9.126) 9.586 27.585 ( -0.844 0.000 -3.085) 3.198 27.836 ( -1.220 0.000 2.821) 3.074 28.158 ( 2.664 0.000 14.735) 14.973 28.368 ( -7.708 0.000 -6.583) 10.136 28.622 ( 2.328 0.000 -3.348) 4.077 28.732 ( 4.250 0.000 -7.943) 9.009 28.971 ( -2.463 0.000 -5.062) 5.629 29.409 ( -9.177 0.000 1.987) 9.390 29.558 ( -10.500 0.000 -5.917) 12.052 29.954 ( -19.890 0.000 4.825) 20.467 30.318 ( -21.025 0.000 -11.149) 23.798 30.393 ( -16.390 0.000 9.475) 18.931 30.648 ( -8.329 0.000 -7.631) 11.296 31.480 ( 12.879 0.000 5.592) 14.040 31.560 ( 11.511 0.000 1.172) 11.571 32.237 ( 18.895 0.000 -9.996) 21.376 32.253 ( 7.577 0.000 7.403) 10.593 32.663 ( -6.174 0.000 8.416) 10.438 32.749 ( -6.643 0.000 9.755) 11.802 32.973 ( 3.998 0.000 -7.673) 8.652 33.214 ( 4.671 0.000 -2.125) 5.131 33.862 ( 1.853 0.000 3.221) 3.716 33.898 ( 4.130 0.000 -4.838) 6.361 34.138 ( 6.076 0.000 8.242) 10.239 34.187 ( 0.340 0.000 -3.933) 3.948 38.061 ( 0.546 0.000 -4.151) 4.187 38.080 ( 3.476 0.000 -4.130) 5.398 38.311 ( 8.130 0.000 3.144) 8.716 38.438 ( 3.113 0.000 1.840) 3.616 38.779 ( 5.226 0.000 7.863) 9.441 38.811 ( 7.145 0.000 0.212) 7.149 39.000 ( 3.108 0.000 10.636) 11.081 39.127 ( 3.394 0.000 -2.821) 4.414 39.192 ( -4.592 0.000 6.251) 7.756 39.306 ( -15.477 0.000 -10.056) 18.457 39.647 ( -9.794 0.000 -6.590) 11.805 39.925 ( 2.815 0.000 4.663) 5.447 40.277 ( -2.803 0.000 13.913) 14.192 40.493 ( 3.761 0.000 -0.924) 3.873 40.810 ( 11.320 0.000 3.846) 11.955 40.905 ( 2.393 0.000 -5.289) 5.805 40.976 ( 4.634 0.000 4.166) 6.231 41.302 ( -1.400 0.000 -5.583) 5.756 41.509 ( -7.556 0.000 -0.904) 7.610 41.887 ( -1.398 0.000 1.657) 2.168 42.044 ( 13.540 0.000 21.670) 25.552 42.237 ( -10.265 0.000 -27.337) 29.201 42.773 ( -15.589 0.000 -13.644) 20.717 42.954 ( 0.523 0.000 9.780) 9.794 ======================= Grid point 92 (47/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -41.503 0.000 16.834) 44.787 1.558 ( -6.834 0.000 31.477) 32.210 1.862 ( -15.531 0.000 29.300) 33.162 2.538 ( -2.193 0.000 -1.367) 2.585 2.584 ( -13.952 0.000 8.608) 16.393 2.912 ( 1.672 0.000 -2.915) 3.360 2.958 ( -1.610 0.000 -5.654) 5.879 3.035 ( -7.438 0.000 17.904) 19.388 3.238 ( -10.457 0.000 -5.846) 11.980 3.327 ( 1.421 0.000 1.686) 2.205 3.406 ( 0.188 0.000 -3.242) 3.248 3.548 ( -3.243 0.000 -12.039) 12.468 3.623 ( -2.360 0.000 -11.352) 11.595 3.741 ( -4.001 0.000 -1.514) 4.278 4.093 ( 9.702 0.000 2.139) 9.935 4.126 ( -6.410 0.000 -6.730) 9.294 4.239 ( 3.162 0.000 -8.934) 9.477 4.380 ( -7.145 0.000 -5.536) 9.039 4.525 ( -5.335 0.000 9.242) 10.671 4.573 ( -10.158 0.000 -1.778) 10.313 4.617 ( -5.794 0.000 5.018) 7.664 4.851 ( -0.114 0.000 9.485) 9.485 4.867 ( 1.472 0.000 -7.366) 7.512 5.181 ( -0.980 0.000 -10.634) 10.679 5.209 ( 0.504 0.000 2.741) 2.787 5.357 ( -3.164 0.000 9.543) 10.054 5.459 ( 4.258 0.000 1.153) 4.411 5.491 ( -1.488 0.000 -3.429) 3.738 5.516 ( -4.249 0.000 -4.213) 5.984 5.544 ( -4.152 0.000 -6.934) 8.082 5.585 ( 2.718 0.000 1.799) 3.260 5.683 ( 3.354 0.000 -4.826) 5.877 6.248 ( 10.559 0.000 -4.028) 11.301 6.268 ( 0.148 0.000 0.164) 0.221 6.401 ( -10.132 0.000 1.674) 10.269 6.616 ( -5.707 0.000 0.620) 5.740 6.839 ( 8.311 0.000 -6.065) 10.289 6.933 ( 5.198 0.000 4.304) 6.748 7.126 ( 3.351 0.000 1.922) 3.863 7.280 ( -7.841 0.000 10.083) 12.773 7.293 ( 9.160 0.000 8.658) 12.605 7.526 ( 7.305 0.000 -0.020) 7.305 7.562 ( -0.215 0.000 -1.409) 1.426 7.618 ( -0.849 0.000 -1.547) 1.765 7.807 ( -5.019 0.000 0.258) 5.026 7.937 ( 11.750 0.000 -7.085) 13.721 8.070 ( 0.563 0.000 -0.615) 0.834 8.250 ( 15.690 0.000 2.242) 15.850 8.843 ( -3.549 0.000 -0.802) 3.638 8.961 ( -10.503 0.000 -1.501) 10.610 9.077 ( -5.826 0.000 -0.742) 5.873 9.146 ( -11.782 0.000 -4.339) 12.556 9.719 ( -7.716 0.000 2.432) 8.090 10.012 ( -1.607 0.000 -4.575) 4.849 10.098 ( -7.413 0.000 -1.721) 7.610 10.334 ( -8.110 0.000 1.513) 8.250 10.495 ( -3.919 0.000 2.646) 4.729 10.692 ( 2.393 0.000 -7.184) 7.572 11.288 ( 2.074 0.000 1.415) 2.511 11.380 ( -1.652 0.000 2.750) 3.208 11.826 ( 0.504 0.000 1.019) 1.136 11.868 ( 1.251 0.000 -1.882) 2.260 11.893 ( 1.124 0.000 -1.186) 1.634 12.141 ( -4.072 0.000 0.643) 4.123 12.363 ( 4.807 0.000 5.785) 7.521 12.505 ( 5.176 0.000 1.326) 5.343 12.705 ( -4.570 0.000 -0.616) 4.611 12.821 ( 1.759 0.000 -4.909) 5.215 13.007 ( 6.812 0.000 3.406) 7.616 13.234 ( -13.155 0.000 5.217) 14.152 13.388 ( -1.956 0.000 5.788) 6.109 13.529 ( -1.103 0.000 5.917) 6.019 13.686 ( 2.098 0.000 3.511) 4.090 14.235 ( -0.133 0.000 -7.414) 7.415 14.486 ( 14.182 0.000 -3.449) 14.595 15.108 ( -6.701 0.000 2.890) 7.298 15.178 ( 3.519 0.000 -1.316) 3.757 15.396 ( 6.003 0.000 -7.447) 9.565 15.523 ( -7.903 0.000 21.461) 22.870 15.740 ( 9.503 0.000 -4.471) 10.502 16.202 ( 0.227 0.000 2.930) 2.939 16.347 ( 3.451 0.000 3.333) 4.798 16.413 ( 1.103 0.000 -1.374) 1.762 16.650 ( 27.807 0.000 -1.317) 27.838 16.755 ( -7.738 0.000 -5.304) 9.381 16.982 ( 13.465 0.000 6.987) 15.170 17.211 ( 8.546 0.000 0.088) 8.546 17.374 ( 3.496 0.000 -4.401) 5.621 17.495 ( 1.017 0.000 0.361) 1.079 17.565 ( -0.916 0.000 -2.654) 2.807 17.693 ( 13.846 0.000 1.876) 13.973 18.242 ( 2.746 0.000 2.147) 3.486 18.420 ( -8.189 0.000 5.659) 9.954 18.603 ( -6.943 0.000 0.287) 6.949 18.682 ( -8.021 0.000 -6.355) 10.233 18.842 ( -3.758 0.000 -2.166) 4.337 19.055 ( -6.795 0.000 -4.198) 7.987 19.126 ( -7.188 0.000 -12.012) 13.998 19.204 ( -4.984 0.000 2.490) 5.571 19.370 ( -2.920 0.000 -6.010) 6.682 19.432 ( 1.435 0.000 3.616) 3.891 19.533 ( 2.599 0.000 -8.108) 8.515 19.601 ( 0.136 0.000 8.398) 8.399 19.745 ( 1.251 0.000 -2.873) 3.134 19.797 ( -0.913 0.000 -1.181) 1.492 19.976 ( 2.374 0.000 -3.807) 4.487 20.208 ( 0.999 0.000 3.161) 3.315 20.235 ( 4.970 0.000 -1.894) 5.319 20.656 ( -0.571 0.000 3.655) 3.699 20.669 ( 4.283 0.000 -4.580) 6.271 21.033 ( 5.029 0.000 -9.499) 10.748 21.178 ( -4.196 0.000 -0.934) 4.299 21.950 ( 5.271 0.000 -2.092) 5.671 22.045 ( -0.481 0.000 1.692) 1.759 22.124 ( 2.808 0.000 -1.629) 3.246 22.258 ( -4.832 0.000 3.155) 5.771 22.907 ( 21.086 0.000 0.969) 21.108 22.936 ( 23.250 0.000 4.222) 23.630 23.611 ( 21.632 0.000 7.771) 22.985 23.782 ( 20.838 0.000 4.098) 21.238 24.361 ( -15.218 0.000 -0.445) 15.224 24.390 ( -15.828 0.000 -0.023) 15.828 25.431 ( -14.364 0.000 16.557) 21.919 25.730 ( -19.000 0.000 -15.810) 24.717 25.935 ( -23.898 0.000 -2.201) 23.999 26.355 ( 4.072 0.000 -10.572) 11.329 26.748 ( -2.605 0.000 -13.088) 13.345 26.750 ( 0.505 0.000 -5.331) 5.355 27.094 ( 1.998 0.000 1.820) 2.702 27.143 ( -4.928 0.000 20.620) 21.201 27.593 ( 2.851 0.000 -3.537) 4.542 27.614 ( 4.563 0.000 8.082) 9.281 27.789 ( -3.507 0.000 1.882) 3.980 28.149 ( -7.765 0.000 -5.100) 9.290 28.296 ( 2.839 0.000 12.122) 12.450 28.696 ( 8.589 0.000 -7.871) 11.650 28.825 ( 6.585 0.000 -7.974) 10.341 28.880 ( -4.034 0.000 -5.695) 6.979 29.249 ( -7.621 0.000 1.624) 7.792 29.303 ( -8.274 0.000 -4.387) 9.365 29.679 ( -12.178 0.000 1.697) 12.295 29.883 ( -15.426 0.000 -8.515) 17.620 30.176 ( -10.774 0.000 8.471) 13.705 30.477 ( -2.143 0.000 -7.015) 7.335 31.704 ( 1.269 0.000 4.033) 4.228 31.722 ( 8.896 0.000 3.844) 9.691 32.362 ( -1.469 0.000 11.314) 11.409 32.487 ( 10.524 0.000 -7.176) 12.738 32.626 ( -2.066 0.000 9.098) 9.330 32.687 ( -4.791 0.000 9.649) 10.773 33.066 ( 9.888 0.000 -7.775) 12.579 33.306 ( 5.906 0.000 -3.353) 6.791 33.923 ( 1.821 0.000 6.088) 6.355 33.986 ( 7.262 0.000 -3.737) 8.167 34.162 ( -1.680 0.000 -0.920) 1.915 34.250 ( 1.113 0.000 0.905) 1.435 38.108 ( 5.430 0.000 -0.370) 5.443 38.161 ( 6.266 0.000 -2.838) 6.879 38.466 ( -0.691 0.000 0.141) 0.705 38.488 ( 7.137 0.000 1.285) 7.252 38.780 ( -12.698 0.000 -4.766) 13.563 38.906 ( 2.881 0.000 -0.301) 2.897 39.040 ( -1.435 0.000 5.817) 5.992 39.097 ( -5.447 0.000 4.989) 7.386 39.210 ( 6.040 0.000 -1.765) 6.292 39.213 ( 7.952 0.000 11.117) 13.668 39.439 ( -7.648 0.000 -2.169) 7.950 39.977 ( -0.477 0.000 4.737) 4.761 40.308 ( -1.174 0.000 11.043) 11.105 40.593 ( 6.111 0.000 1.616) 6.321 40.896 ( -1.967 0.000 -2.571) 3.237 40.919 ( 1.028 0.000 -2.338) 2.554 41.154 ( 8.713 0.000 -2.194) 8.985 41.158 ( -5.688 0.000 -13.859) 14.981 41.446 ( -1.769 0.000 5.829) 6.092 41.872 ( -13.083 0.000 -14.748) 19.714 41.902 ( 1.849 0.000 1.745) 2.543 42.320 ( -12.844 0.000 -4.833) 13.724 42.615 ( 24.969 0.000 8.250) 26.296 42.984 ( -2.187 0.000 7.239) 7.562 ======================= Grid point 93 (48/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 8.800 11.773 25.725) 29.628 1.622 ( 5.904 4.262 27.908) 28.843 2.141 ( -0.852 -12.958 8.606) 15.579 2.284 ( 3.781 14.722 13.864) 20.573 2.620 ( -9.087 -19.146 -4.070) 21.580 2.698 ( -2.827 2.490 -3.049) 4.846 2.907 ( 4.071 -3.367 0.706) 5.329 2.997 ( -3.608 -1.008 -7.038) 7.973 3.081 ( -0.587 1.287 18.465) 18.519 3.275 ( 3.969 0.504 -0.940) 4.110 3.385 ( 2.185 1.768 0.266) 2.823 3.458 ( 0.506 -0.782 -9.511) 9.557 3.600 ( -0.857 7.900 -8.627) 11.729 3.746 ( 1.075 1.269 -0.536) 1.748 4.005 ( 2.541 -2.835 -6.658) 7.670 4.040 ( -3.919 -3.939 -3.930) 6.806 4.302 ( 0.417 3.898 -4.537) 5.995 4.383 ( 0.015 4.456 2.576) 5.147 4.427 ( -4.973 -4.254 8.879) 11.030 4.507 ( -5.732 4.692 -3.124) 8.039 4.602 ( 0.116 2.793 8.369) 8.824 4.816 ( -0.157 -6.315 7.234) 9.604 4.881 ( -0.707 1.199 -10.651) 10.741 5.148 ( 0.021 -4.441 -0.907) 4.533 5.221 ( -0.576 -0.066 -0.261) 0.636 5.268 ( 4.466 0.515 -1.085) 4.625 5.380 ( 3.572 -2.045 -9.891) 10.713 5.460 ( -0.143 -0.482 -0.480) 0.695 5.477 ( 1.226 -0.949 -0.282) 1.576 5.575 ( 3.172 -9.529 2.391) 10.324 5.721 ( 3.288 8.529 -5.894) 10.876 5.827 ( 2.163 7.649 -6.037) 9.981 6.227 ( -8.298 3.733 0.699) 9.126 6.349 ( -0.063 -0.503 2.708) 2.755 6.478 ( 5.038 2.749 -3.097) 6.522 6.536 ( -1.367 3.069 -4.568) 5.671 6.899 ( 3.682 -2.867 -0.394) 4.682 6.969 ( -1.522 -1.614 0.724) 2.334 7.050 ( -3.774 -6.932 8.637) 11.700 7.201 ( -0.207 -4.307 0.089) 4.313 7.448 ( 0.320 4.671 4.834) 6.729 7.561 ( -2.996 2.073 1.763) 4.047 7.609 ( -1.808 1.705 1.413) 2.859 7.692 ( 0.292 5.015 1.687) 5.299 7.735 ( 0.706 2.969 1.007) 3.214 8.005 ( -1.343 -0.383 -4.847) 5.044 8.096 ( 2.353 -2.954 1.275) 3.986 8.337 ( -1.032 -9.432 -5.336) 10.886 8.778 ( 0.815 -1.035 2.403) 2.741 8.825 ( -0.208 -1.073 1.521) 1.873 8.972 ( -2.007 0.599 -4.814) 5.250 9.000 ( -0.680 -0.206 -4.355) 4.412 9.749 ( 0.704 5.488 7.220) 9.096 9.960 ( 0.602 -2.292 0.167) 2.375 10.042 ( -1.850 4.869 -4.043) 6.593 10.190 ( -3.962 -0.675 -4.812) 6.270 10.499 ( 0.110 1.962 2.834) 3.449 10.701 ( 0.686 -0.635 -7.991) 8.046 11.205 ( -0.509 -6.352 6.481) 9.090 11.323 ( 2.983 -5.516 1.112) 6.369 11.797 ( -3.610 1.433 3.266) 5.075 11.919 ( 2.002 1.323 -1.211) 2.688 11.980 ( -2.909 -2.196 0.128) 3.647 11.990 ( 0.859 -0.004 -1.474) 1.707 12.392 ( 1.909 -0.856 1.116) 2.371 12.567 ( -3.312 -2.864 0.424) 4.399 12.744 ( 0.632 6.561 -0.783) 6.638 12.909 ( 3.258 1.937 -2.264) 4.415 13.052 ( 0.019 -0.879 7.915) 7.963 13.185 ( 3.535 0.147 0.668) 3.601 13.443 ( 5.465 0.591 7.569) 9.354 13.589 ( -0.146 1.265 2.959) 3.221 13.691 ( 2.239 0.683 4.276) 4.875 14.078 ( -3.240 -5.146 -10.342) 11.997 14.685 ( 0.317 -1.136 -3.219) 3.428 14.828 ( -3.356 -7.584 -4.078) 9.242 15.174 ( -12.889 6.563 5.803) 15.584 15.354 ( -9.396 -1.448 10.213) 13.953 15.538 ( -1.375 5.049 4.879) 7.155 15.818 ( 6.168 -6.966 4.259) 10.232 16.371 ( 2.121 6.346 1.170) 6.793 16.410 ( 0.063 4.105 -2.069) 4.597 16.441 ( 1.252 1.083 -2.299) 2.833 16.711 ( 5.536 3.056 -5.100) 8.124 16.949 ( 2.370 -9.662 1.063) 10.005 17.068 ( 13.235 -6.301 -2.603) 14.888 17.285 ( 1.225 0.606 5.538) 5.705 17.418 ( 1.053 -3.738 1.109) 4.039 17.495 ( -8.956 6.545 1.530) 11.198 17.645 ( 3.046 4.199 -3.708) 6.376 17.960 ( -4.549 -3.053 4.766) 7.261 18.157 ( 1.606 -2.351 -7.087) 7.638 18.326 ( -0.137 3.209 6.819) 7.538 18.544 ( -2.215 2.384 -3.169) 4.542 18.578 ( 2.092 -3.317 -3.906) 5.535 18.657 ( -7.689 -1.033 -5.557) 9.543 18.864 ( -6.769 1.282 -0.916) 6.950 18.995 ( 3.439 -1.633 -6.486) 7.521 19.202 ( -1.186 3.942 2.982) 5.083 19.389 ( -0.245 -1.550 -2.351) 2.827 19.438 ( 4.689 1.594 0.383) 4.967 19.540 ( -0.123 -1.643 1.542) 2.256 19.654 ( 0.274 1.798 -3.532) 3.972 19.704 ( -1.449 -1.963 2.061) 3.194 19.753 ( 2.447 -2.289 -0.712) 3.426 19.910 ( 0.232 -5.874 -6.092) 8.466 20.255 ( -1.144 2.024 2.211) 3.209 20.312 ( 1.648 0.106 -0.242) 1.669 20.694 ( -0.036 2.061 2.373) 3.143 20.718 ( 1.477 0.660 -0.759) 1.787 21.027 ( -7.775 2.236 -5.020) 9.521 21.139 ( 6.666 -1.563 -7.618) 10.243 22.021 ( -2.596 1.556 1.969) 3.611 22.040 ( 0.896 1.686 0.541) 1.984 22.175 ( -0.053 -1.463 0.467) 1.537 22.193 ( 3.541 -1.168 -2.049) 4.255 23.214 ( 4.182 1.601 1.562) 4.743 23.284 ( 4.889 0.179 -0.692) 4.941 23.971 ( 2.030 -1.072 9.483) 9.757 24.066 ( 1.651 -1.945 9.716) 10.046 24.145 ( 4.422 0.029 0.023) 4.422 24.174 ( -0.278 -1.617 -0.371) 1.682 25.237 ( -13.740 7.145 -4.382) 16.095 25.413 ( -3.915 -1.091 -14.216) 14.786 25.847 ( -6.216 16.713 4.658) 18.430 26.310 ( -0.786 -4.302 -9.710) 10.649 26.665 ( 0.039 -1.052 -0.018) 1.053 26.753 ( 0.796 -0.268 -5.372) 5.438 27.017 ( -2.376 -5.213 8.319) 10.101 27.087 ( 2.531 -4.639 4.656) 7.043 27.548 ( -3.167 -1.699 0.561) 3.637 27.628 ( -1.307 -3.126 -1.752) 3.814 27.933 ( 0.147 10.320 5.402) 11.649 28.087 ( -0.512 1.240 -0.533) 1.443 28.365 ( 0.674 -0.708 6.184) 6.261 28.580 ( -3.130 -9.208 -6.205) 11.536 28.926 ( 7.461 4.643 -6.988) 11.228 28.945 ( 4.318 5.304 -9.729) 11.892 29.162 ( -1.180 -0.780 0.706) 1.581 29.215 ( 2.310 -3.386 -1.663) 4.423 29.561 ( -1.634 3.450 2.300) 4.457 29.752 ( -3.469 3.054 0.156) 4.625 30.009 ( 0.071 -2.528 -0.751) 2.638 30.415 ( 9.517 -11.685 -8.679) 17.391 31.681 ( -6.419 1.408 8.984) 11.131 31.804 ( -0.068 -3.748 5.766) 6.878 32.390 ( -6.854 5.426 5.609) 10.387 32.533 ( 0.299 -2.017 -2.438) 3.178 32.645 ( -0.394 0.772 8.738) 8.781 32.727 ( -0.764 0.906 6.928) 7.029 33.269 ( 10.366 1.058 -5.296) 11.688 33.339 ( 5.962 -2.903 -7.994) 10.386 33.998 ( -2.039 1.018 7.600) 7.934 34.047 ( -3.869 -2.040 2.099) 4.852 34.176 ( 5.109 3.815 0.563) 6.401 34.251 ( -1.560 4.021 -5.942) 7.342 38.224 ( 0.783 0.566 1.405) 1.705 38.247 ( 0.681 -0.009 -0.001) 0.681 38.357 ( -6.770 -0.335 -0.561) 6.801 38.418 ( -0.038 -1.749 -2.851) 3.345 38.751 ( 3.870 2.627 2.846) 5.475 38.848 ( 2.063 -3.022 0.094) 3.660 38.989 ( -2.987 -2.933 5.726) 7.093 39.099 ( 3.267 -6.864 0.756) 7.639 39.322 ( -0.554 6.074 1.489) 6.278 39.396 ( 2.024 9.169 -1.075) 9.451 39.545 ( 3.929 1.729 5.092) 6.660 39.879 ( -4.092 -5.558 -3.625) 7.796 40.356 ( -3.221 4.264 12.173) 13.295 40.626 ( 0.580 -6.320 5.241) 8.231 40.818 ( -1.646 2.578 -2.559) 3.988 40.914 ( -1.130 -0.385 -1.072) 1.604 40.973 ( -0.506 -0.840 -7.211) 7.278 41.184 ( 1.359 -3.530 -2.143) 4.347 41.487 ( -3.815 2.594 1.632) 4.893 41.614 ( -6.958 -2.512 0.183) 7.400 42.032 ( 2.531 4.123 -1.865) 5.185 42.073 ( -3.401 1.246 -3.708) 5.183 42.931 ( -1.786 -0.377 1.600) 2.427 43.098 ( 20.952 -8.124 -5.190) 23.063 ======================= Grid point 94 (49/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 10.597 4.206 25.575) 28.001 1.947 ( 21.263 4.576 16.142) 27.085 2.187 ( 7.665 -8.407 -0.670) 11.396 2.467 ( 5.684 -11.663 -5.322) 14.023 2.695 ( 13.032 -1.307 12.602) 18.176 2.741 ( 6.225 4.980 -3.979) 8.910 2.956 ( 1.695 1.818 -2.267) 3.365 3.028 ( 7.724 -8.127 1.011) 11.257 3.226 ( 8.491 5.528 3.757) 10.806 3.387 ( 5.127 0.760 4.385) 6.789 3.442 ( 0.704 -0.005 -3.298) 3.372 3.473 ( 3.064 4.158 3.161) 6.055 3.585 ( 11.318 4.341 -16.735) 20.665 3.750 ( 1.199 0.246 -3.838) 4.028 3.982 ( 2.431 1.633 -0.923) 3.070 4.119 ( 7.934 -2.704 -3.047) 8.919 4.222 ( -4.641 6.250 -0.862) 7.832 4.332 ( -5.904 0.952 -3.255) 6.809 4.420 ( -0.792 -2.798 10.479) 10.875 4.447 ( 1.728 0.679 2.457) 3.079 4.695 ( 4.511 0.450 1.848) 4.895 4.798 ( 0.211 -1.070 -0.787) 1.344 4.892 ( 0.522 1.787 3.119) 3.632 5.108 ( -2.482 -4.827 1.874) 5.742 5.234 ( 0.911 1.257 -0.890) 1.790 5.355 ( 4.486 -3.237 -3.228) 6.405 5.398 ( 3.489 -2.818 -13.194) 13.935 5.482 ( 2.146 1.129 1.664) 2.940 5.542 ( 6.723 -1.725 -0.483) 6.957 5.640 ( 2.067 -7.554 -0.668) 7.861 5.731 ( 1.131 6.789 -5.895) 9.062 5.841 ( 2.775 5.851 -6.144) 8.927 6.073 ( -6.502 5.550 -2.455) 8.895 6.355 ( -3.373 -3.220 4.530) 6.501 6.374 ( -6.105 4.004 -0.210) 7.304 6.595 ( 2.465 -3.069 -4.715) 6.143 6.892 ( -3.478 -0.428 0.012) 3.504 6.927 ( -5.733 2.162 2.884) 6.772 7.013 ( 0.568 -3.162 5.706) 6.548 7.222 ( 0.301 -8.352 -0.524) 8.374 7.382 ( -6.153 6.518 6.099) 10.842 7.497 ( -3.893 0.003 0.833) 3.981 7.614 ( -0.527 2.330 5.261) 5.778 7.665 ( -3.345 3.244 -0.102) 4.661 7.733 ( 0.880 3.412 -1.156) 3.709 7.847 ( -9.728 3.217 -3.266) 10.754 8.120 ( -2.440 -6.591 0.712) 7.064 8.240 ( -2.136 -6.267 -2.891) 7.225 8.870 ( 6.335 -0.554 3.189) 7.114 8.902 ( 3.764 0.976 1.189) 4.067 8.979 ( 4.716 0.517 -2.831) 5.524 9.077 ( 10.351 -4.948 -3.309) 11.941 9.861 ( 4.893 6.101 9.210) 12.082 10.034 ( 4.199 1.764 -3.270) 5.607 10.069 ( 7.972 0.573 2.971) 8.527 10.151 ( 3.087 -0.182 -5.873) 6.638 10.542 ( 2.921 -0.362 0.178) 2.949 10.681 ( 2.166 -0.216 -6.691) 7.036 11.219 ( -1.461 -4.164 4.733) 6.471 11.374 ( 2.166 -5.476 -1.171) 6.004 11.745 ( -3.679 0.753 3.222) 4.948 11.795 ( -9.800 1.040 -0.355) 9.861 11.961 ( 2.918 1.530 -1.266) 3.530 12.101 ( 5.089 -2.295 1.910) 5.900 12.435 ( 1.140 -0.708 2.012) 2.419 12.529 ( -1.236 -2.622 0.627) 2.966 12.729 ( 0.361 4.201 -2.956) 5.150 12.922 ( -1.458 -3.558 0.345) 3.860 13.146 ( 7.207 6.409 -1.485) 9.758 13.294 ( 4.171 0.051 5.077) 6.571 13.528 ( -2.922 3.062 -2.572) 4.953 13.613 ( 5.316 1.233 5.880) 8.023 13.782 ( 2.270 -0.695 7.875) 8.225 13.961 ( -1.399 -5.280 -9.805) 11.224 14.512 ( -13.057 -0.429 -1.537) 13.154 14.787 ( -4.821 -0.886 -1.440) 5.109 14.980 ( -8.272 -0.325 6.339) 10.427 15.164 ( -13.334 -5.249 10.663) 17.862 15.568 ( 1.054 8.695 3.034) 9.270 15.922 ( -0.384 -7.352 4.683) 8.725 16.322 ( -5.620 4.423 4.581) 8.493 16.356 ( -2.836 4.415 -4.166) 6.700 16.525 ( 2.186 -2.116 -1.458) 3.374 16.722 ( -6.665 -2.769 -3.011) 7.820 16.919 ( -3.531 1.434 -3.114) 4.922 17.078 ( -20.309 -1.445 1.597) 20.423 17.159 ( -5.697 3.334 -3.285) 7.373 17.360 ( 4.499 -3.354 -4.137) 6.972 17.446 ( 1.552 3.553 4.137) 5.670 17.656 ( 0.315 8.513 -5.702) 10.251 17.809 ( -0.721 -8.054 -4.470) 9.240 18.227 ( 0.983 -12.345 1.994) 12.543 18.295 ( -8.231 5.067 5.002) 10.883 18.570 ( 7.711 2.596 4.142) 9.130 18.590 ( -1.850 -5.013 -0.538) 5.371 18.676 ( 7.372 -1.009 1.373) 7.567 18.802 ( 0.464 7.630 0.504) 7.661 19.115 ( 8.363 -3.284 -6.740) 11.232 19.207 ( 1.104 5.457 1.963) 5.904 19.352 ( -1.570 -0.734 -3.393) 3.810 19.490 ( -0.251 2.599 1.362) 2.945 19.569 ( 3.602 -2.498 -5.906) 7.356 19.632 ( 2.270 2.247 -1.034) 3.357 19.733 ( 1.384 -0.922 3.015) 3.443 19.790 ( 1.179 -1.893 -0.260) 2.245 19.881 ( 0.573 -5.716 -6.772) 8.880 20.205 ( -4.385 -0.058 1.194) 4.545 20.285 ( -4.259 -2.350 -0.762) 4.924 20.707 ( -0.119 1.613 3.434) 3.796 20.779 ( 5.167 -1.182 -1.472) 5.501 20.860 ( -4.262 8.624 -7.025) 11.912 21.204 ( 2.508 -5.915 -4.491) 7.839 21.963 ( -3.194 4.104 0.447) 5.220 22.054 ( -0.358 0.699 1.351) 1.563 22.164 ( -0.651 0.014 -0.403) 0.766 22.252 ( 2.245 -2.758 -0.980) 3.688 23.048 ( -17.326 1.741 -0.037) 17.414 23.067 ( -20.534 1.166 -4.745) 21.108 23.797 ( -20.348 -1.282 5.286) 21.063 23.865 ( -20.575 -2.284 1.520) 20.757 24.386 ( 17.708 -0.710 -1.250) 17.766 24.416 ( 15.689 -0.731 1.069) 15.742 25.246 ( 13.798 7.838 2.476) 16.061 25.513 ( 12.038 -3.459 1.299) 12.592 25.839 ( 4.355 12.629 6.070) 14.673 26.249 ( -0.413 -6.136 -7.750) 9.894 26.678 ( 0.542 -1.290 0.617) 1.530 26.739 ( 0.309 0.899 -3.666) 3.787 26.995 ( -2.288 -1.072 2.581) 3.612 27.190 ( 5.432 -2.436 5.749) 8.276 27.511 ( -0.576 -4.619 -0.212) 4.660 27.635 ( 0.991 -5.841 3.400) 6.831 27.959 ( 1.018 9.585 3.615) 10.295 28.094 ( 0.488 2.618 -0.114) 2.665 28.397 ( -1.263 -0.316 7.073) 7.192 28.535 ( 0.854 -6.643 -4.667) 8.163 28.846 ( -1.503 6.765 -10.601) 12.665 29.050 ( 2.761 -2.559 -11.640) 12.234 29.249 ( 9.949 1.557 -0.569) 10.086 29.296 ( 7.841 0.514 -0.029) 7.858 29.680 ( 11.011 2.203 3.847) 11.870 29.785 ( 5.973 3.404 2.075) 7.181 30.109 ( 10.892 -0.065 -3.130) 11.333 30.620 ( 16.330 -14.926 -14.492) 26.447 31.567 ( -10.391 2.887 11.307) 15.625 31.780 ( -6.160 -6.441 8.727) 12.474 32.217 ( -13.194 6.720 4.822) 15.572 32.406 ( -11.473 -1.800 -2.748) 11.934 32.716 ( 4.224 1.855 4.842) 6.688 32.806 ( 4.310 -0.278 6.473) 7.782 33.362 ( 1.259 -2.113 -7.877) 8.252 33.419 ( 7.657 -3.049 -9.452) 12.540 33.846 ( -13.804 3.066 3.528) 14.574 33.981 ( -6.158 -2.306 5.322) 8.460 34.171 ( -1.818 8.529 -3.465) 9.384 34.292 ( 3.967 1.699 -1.437) 4.549 38.083 ( -8.074 1.381 0.819) 8.232 38.149 ( -6.999 -0.615 -1.729) 7.236 38.405 ( 3.753 0.125 2.771) 4.667 38.469 ( 2.840 -0.661 -0.096) 2.917 38.746 ( -3.178 -1.653 0.130) 3.584 38.877 ( -1.681 -2.288 -0.794) 2.948 39.003 ( 2.812 0.732 3.431) 4.496 39.197 ( 3.329 -4.437 3.129) 6.369 39.303 ( -2.108 8.713 1.978) 9.180 39.411 ( 1.550 5.346 -2.718) 6.195 39.643 ( 0.894 -4.758 2.222) 5.327 39.720 ( -5.486 -4.281 -4.365) 8.214 40.378 ( -1.755 6.789 14.616) 16.211 40.658 ( 1.387 -4.052 3.640) 5.620 40.796 ( -1.250 0.060 -2.957) 3.211 40.849 ( -5.117 -4.342 -4.117) 7.873 40.963 ( 1.367 4.679 2.821) 5.632 41.115 ( -3.206 2.457 -6.608) 7.744 41.468 ( 0.284 -2.891 7.528) 8.069 41.507 ( -5.256 -2.539 4.169) 7.173 42.081 ( 4.912 1.023 0.231) 5.023 42.140 ( 7.738 0.421 -6.315) 9.997 42.885 ( -1.780 6.485 -4.097) 7.874 43.365 ( 11.197 -12.038 -12.318) 20.543 ======================= Grid point 95 (50/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 8.159 -2.526 11.178) 14.068 2.331 ( 9.897 -3.851 8.269) 13.460 2.409 ( 9.513 -0.922 12.252) 15.539 2.611 ( 11.068 -11.884 -0.139) 16.241 2.743 ( 1.278 4.452 -8.549) 9.723 2.941 ( 7.491 4.262 -0.580) 8.638 3.048 ( 8.486 3.777 2.800) 9.702 3.145 ( 4.081 -5.797 -1.023) 7.163 3.238 ( -4.129 6.851 -6.143) 10.086 3.396 ( 0.494 0.251 -6.512) 6.535 3.481 ( -0.321 -0.914 -0.368) 1.036 3.576 ( -2.152 2.573 -0.760) 3.440 3.751 ( 7.830 0.629 1.324) 7.966 3.890 ( 13.253 -2.413 -7.756) 15.544 3.993 ( -3.383 9.914 4.675) 11.471 4.143 ( -4.473 -1.648 0.549) 4.799 4.239 ( 5.119 -2.114 1.080) 5.642 4.316 ( 6.432 0.750 -4.357) 7.805 4.470 ( 0.355 1.989 1.552) 2.547 4.533 ( 3.377 2.142 1.831) 4.398 4.738 ( 7.036 0.427 -4.461) 8.342 4.877 ( 2.077 -1.657 7.955) 8.387 5.021 ( 7.915 1.025 10.009) 12.801 5.093 ( 0.415 -1.979 0.448) 2.071 5.243 ( 3.821 -3.075 3.199) 5.855 5.352 ( -2.456 -3.605 -4.007) 5.924 5.440 ( 5.489 -1.952 -9.892) 11.480 5.568 ( 5.697 1.913 -1.128) 6.114 5.596 ( -4.743 -2.690 -2.744) 6.104 5.645 ( 3.688 -1.615 -2.469) 4.723 5.766 ( 4.729 4.695 -6.336) 9.195 5.862 ( 5.050 2.607 -10.149) 11.631 6.014 ( 2.332 7.084 0.759) 7.496 6.187 ( -7.664 4.865 -2.801) 9.500 6.375 ( -0.147 -2.882 5.767) 6.449 6.531 ( -7.658 -5.587 4.158) 10.351 6.800 ( -10.271 -0.790 7.502) 12.744 6.876 ( 3.394 -2.293 -3.014) 5.085 7.057 ( -3.068 0.897 1.277) 3.442 7.188 ( 1.766 -6.077 0.784) 6.377 7.358 ( -3.718 2.106 1.262) 4.456 7.443 ( 1.294 1.855 0.055) 2.262 7.601 ( -4.138 1.333 5.718) 7.183 7.618 ( -0.605 3.671 1.081) 3.874 7.723 ( 1.237 2.552 -3.265) 4.325 7.749 ( 0.092 5.451 2.049) 5.824 8.125 ( 6.571 -8.090 -5.620) 11.841 8.208 ( -0.867 -5.920 1.587) 6.190 8.955 ( 3.918 3.160 -0.958) 5.124 9.058 ( 7.792 2.698 1.904) 8.463 9.090 ( 6.457 -3.666 4.624) 8.747 9.277 ( 10.110 -4.556 -2.229) 11.311 9.984 ( 3.860 8.499 3.370) 9.924 10.128 ( 8.174 4.128 -3.891) 9.949 10.232 ( 6.949 -1.306 -3.604) 7.936 10.310 ( 12.012 -1.663 8.195) 14.636 10.593 ( 3.000 -1.672 -2.416) 4.199 10.726 ( 4.596 -0.802 -4.317) 6.356 11.190 ( -3.350 -2.670 1.769) 4.635 11.385 ( 0.127 -5.337 -3.402) 6.330 11.614 ( -8.606 3.302 2.030) 9.438 11.691 ( -4.066 0.351 3.699) 5.508 12.032 ( 5.087 -1.200 -0.613) 5.263 12.206 ( 4.718 -4.186 2.026) 6.625 12.431 ( -1.547 0.749 -2.279) 2.855 12.509 ( -2.222 -1.389 3.193) 4.130 12.754 ( 3.494 2.475 -2.260) 4.842 12.887 ( -1.626 -2.819 -2.167) 3.910 13.155 ( -4.411 11.225 -9.184) 15.160 13.382 ( 0.525 -0.750 5.208) 5.288 13.500 ( 0.984 -1.726 3.961) 4.431 13.719 ( 1.709 -0.950 -0.252) 1.972 13.777 ( -4.954 -2.199 4.445) 7.010 13.989 ( 4.893 -6.444 1.945) 8.322 14.280 ( -7.619 10.140 1.151) 12.736 14.622 ( -9.947 4.388 2.688) 11.199 14.820 ( -10.479 -0.539 2.649) 10.822 15.046 ( -3.399 -13.933 0.881) 14.369 15.550 ( -7.775 6.247 7.163) 12.280 15.748 ( -20.910 -2.984 6.036) 21.967 16.150 ( -14.984 5.384 2.713) 16.152 16.275 ( -3.463 3.390 -3.727) 6.113 16.413 ( -10.418 -4.181 2.490) 11.498 16.448 ( -12.505 -4.095 -2.431) 13.381 16.724 ( -7.515 2.519 -3.429) 8.635 16.907 ( 3.850 -5.263 -9.359) 11.406 17.249 ( 7.673 5.013 -2.511) 9.503 17.345 ( -4.780 1.630 1.592) 5.296 17.522 ( 7.052 4.117 -0.876) 8.213 17.695 ( 8.471 10.321 -4.886) 14.218 17.871 ( 9.275 -9.237 -10.873) 17.017 18.093 ( -14.896 4.456 13.102) 20.333 18.320 ( 5.883 -13.706 6.330) 16.203 18.435 ( -13.909 -8.671 7.715) 18.115 18.788 ( 8.889 2.165 4.771) 10.318 18.842 ( 2.486 8.713 -2.231) 9.331 18.857 ( 9.011 0.132 1.320) 9.108 19.135 ( 0.106 -3.803 -7.079) 8.036 19.299 ( 1.736 2.380 -1.224) 3.190 19.317 ( 2.573 1.386 2.629) 3.931 19.501 ( 2.396 4.784 -3.295) 6.284 19.589 ( 1.820 -0.889 -2.696) 3.372 19.705 ( 2.921 -0.569 -0.397) 3.002 19.761 ( 0.794 0.205 -1.897) 2.067 19.812 ( 2.013 -0.573 -0.078) 2.094 19.868 ( 1.612 -3.626 -6.003) 7.196 20.108 ( -6.436 -0.894 -0.418) 6.511 20.187 ( -3.006 -6.247 -0.688) 6.967 20.733 ( -0.244 7.525 -1.313) 7.643 20.781 ( 1.558 5.239 -2.260) 5.914 20.898 ( 6.481 -1.165 -6.139) 9.002 21.178 ( -2.449 -7.921 -2.873) 8.775 21.910 ( -2.216 4.938 -0.386) 5.426 22.033 ( -2.667 0.646 0.747) 2.844 22.135 ( -2.637 0.256 -0.672) 2.734 22.260 ( -1.538 -4.669 1.571) 5.161 22.618 ( -20.390 2.371 -4.285) 20.970 22.694 ( -16.246 0.787 -1.279) 16.315 23.316 ( -27.178 1.544 2.391) 27.326 23.467 ( -17.852 -3.394 -5.544) 18.999 24.696 ( 12.230 0.169 0.285) 12.234 24.715 ( 15.163 -0.473 -2.706) 15.409 25.587 ( 11.784 4.616 13.791) 18.718 25.720 ( 6.949 1.815 10.791) 12.963 26.091 ( 14.880 1.986 7.384) 16.730 26.220 ( 1.576 -4.813 -5.800) 7.700 26.694 ( 1.496 0.430 -0.775) 1.738 26.743 ( 2.576 2.845 -3.524) 5.210 26.970 ( -0.591 1.416 -0.459) 1.601 27.350 ( 7.456 -4.744 3.619) 9.549 27.498 ( -0.635 -4.740 -2.953) 5.620 27.681 ( 0.356 -7.238 6.447) 9.700 28.004 ( 1.678 9.404 2.569) 9.892 28.114 ( 1.977 4.913 0.942) 5.379 28.371 ( -5.813 0.913 8.433) 10.283 28.532 ( 0.506 -5.379 -5.084) 7.418 28.810 ( 4.600 5.244 -10.805) 12.861 29.031 ( 2.275 -4.062 -10.677) 11.648 29.423 ( 8.870 2.039 0.469) 9.113 29.489 ( 9.512 -0.646 -1.308) 9.623 29.972 ( 13.012 2.629 4.003) 13.865 30.021 ( 18.251 0.932 5.294) 19.026 30.378 ( 18.349 3.452 -4.418) 19.186 30.875 ( 17.984 -13.188 -14.633) 26.673 31.408 ( -11.707 3.612 10.552) 16.170 31.654 ( -12.035 -7.238 9.287) 16.837 31.959 ( -14.804 5.834 4.193) 16.455 32.102 ( -17.412 -0.877 -3.005) 17.691 32.843 ( 6.060 1.734 2.586) 6.813 32.918 ( 3.459 -0.372 4.746) 5.885 33.287 ( -4.175 -1.139 -8.256) 9.322 33.421 ( -4.843 -5.016 -11.653) 13.580 33.652 ( -3.473 5.857 4.001) 7.897 33.877 ( -5.924 -3.529 3.421) 7.697 34.113 ( -3.332 8.289 -1.015) 8.991 34.310 ( -1.065 -0.693 -2.177) 2.520 37.983 ( -2.771 1.031 0.493) 2.998 38.032 ( -3.268 -0.347 -1.801) 3.748 38.449 ( -3.501 0.802 0.127) 3.594 38.472 ( 0.418 0.768 2.299) 2.460 38.658 ( -6.323 -3.839 -1.173) 7.490 38.821 ( -2.370 -6.126 -0.939) 6.636 39.052 ( -2.250 7.326 2.383) 8.026 39.164 ( -2.884 3.717 6.752) 8.229 39.346 ( -1.554 -0.772 4.144) 4.492 39.413 ( 1.044 -2.349 -4.819) 5.462 39.558 ( 3.020 3.273 -5.632) 7.180 39.791 ( 4.745 -7.562 4.649) 10.065 40.405 ( -2.371 7.579 7.411) 10.862 40.669 ( -8.097 -2.233 -3.521) 9.107 40.690 ( -2.364 -0.954 -0.218) 2.559 40.781 ( 0.118 -2.590 5.258) 5.862 40.990 ( -0.074 4.473 -0.911) 4.566 41.092 ( 3.648 -0.129 -3.178) 4.840 41.448 ( -3.729 1.824 8.165) 9.159 41.558 ( 3.649 -2.696 8.284) 9.445 42.217 ( 6.752 -3.053 4.092) 8.465 42.230 ( 5.427 -5.298 -8.821) 11.633 42.838 ( 1.334 14.277 -10.658) 17.866 43.436 ( 4.159 -10.372 -13.983) 17.900 ======================= Grid point 96 (51/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -0.636 -0.129 -5.848) 5.884 2.436 ( -2.081 -4.504 -1.385) 5.151 2.626 ( 3.266 0.366 9.880) 10.412 2.673 ( 3.197 3.330 1.642) 4.900 2.890 ( 8.156 -5.343 1.031) 9.804 3.044 ( 3.032 2.104 4.756) 6.020 3.141 ( -1.251 5.680 -3.282) 6.678 3.180 ( -1.017 -8.597 -1.507) 8.787 3.266 ( 5.184 -4.198 4.485) 8.038 3.370 ( 3.190 0.914 -8.532) 9.155 3.428 ( -1.121 0.504 1.064) 1.626 3.532 ( 1.385 4.669 -1.608) 5.129 3.796 ( -2.527 1.468 -1.077) 3.115 3.918 ( -4.201 5.620 5.513) 8.924 3.997 ( 0.677 7.836 -1.082) 7.939 4.171 ( 5.948 -6.503 -2.726) 9.225 4.239 ( -6.109 1.784 4.411) 7.744 4.409 ( 5.101 -1.314 -1.246) 5.413 4.508 ( 5.872 0.238 -4.861) 7.627 4.592 ( 4.094 1.838 3.845) 5.909 4.854 ( -4.848 -8.036 -1.161) 9.456 4.943 ( 8.210 -2.694 -4.020) 9.531 5.071 ( -2.424 2.035 5.975) 6.761 5.121 ( -3.056 4.160 7.923) 9.456 5.262 ( -0.739 0.245 0.612) 0.990 5.375 ( -8.584 5.139 -5.205) 11.278 5.485 ( 5.611 -0.873 -6.102) 8.335 5.527 ( 7.107 -5.852 -4.490) 10.243 5.645 ( 1.673 -1.000 -1.926) 2.740 5.685 ( 3.391 -0.645 -3.928) 5.229 5.846 ( 6.952 5.000 -7.385) 11.308 5.954 ( 8.578 2.193 -8.320) 12.149 6.104 ( -0.075 3.140 3.555) 4.743 6.111 ( 2.427 3.205 1.964) 4.474 6.402 ( -6.024 -2.824 6.023) 8.974 6.466 ( 7.488 -2.485 1.331) 8.001 6.639 ( -7.978 0.009 6.068) 10.024 6.892 ( -3.751 -6.738 -3.041) 8.290 7.049 ( 6.396 -2.365 -0.972) 6.888 7.177 ( -3.615 -4.508 1.816) 6.057 7.274 ( -3.863 9.443 3.790) 10.884 7.516 ( -1.921 1.742 4.664) 5.337 7.544 ( -0.478 -2.257 1.969) 3.033 7.639 ( -0.221 0.746 3.262) 3.353 7.700 ( -3.335 5.135 6.782) 9.137 7.899 ( 12.622 0.973 -6.424) 14.196 8.180 ( -1.166 -3.390 3.961) 5.342 8.329 ( 13.830 -6.083 -10.737) 18.536 9.060 ( 7.131 2.133 -0.694) 7.476 9.148 ( 2.663 -0.319 0.213) 2.691 9.262 ( 5.790 0.814 5.465) 8.003 9.418 ( 5.787 -2.397 -2.339) 6.687 10.066 ( 4.567 8.723 -1.146) 9.913 10.277 ( 6.155 5.132 -2.053) 8.273 10.355 ( 7.730 -1.059 -2.361) 8.152 10.567 ( 7.872 -1.492 5.882) 9.940 10.618 ( 0.403 -3.904 -2.730) 4.781 10.785 ( 3.425 -3.756 0.177) 5.086 11.118 ( -3.407 -0.004 -0.356) 3.425 11.353 ( -1.467 -5.508 -3.713) 6.802 11.490 ( -4.879 4.561 4.061) 7.817 11.645 ( -2.434 -0.487 5.232) 5.791 12.153 ( 7.026 -3.744 -0.134) 7.963 12.277 ( 0.739 -5.547 -1.892) 5.907 12.399 ( 1.121 3.653 -1.870) 4.254 12.480 ( -0.883 -1.339 1.611) 2.273 12.752 ( -11.827 2.817 -3.988) 12.795 12.794 ( -0.459 0.716 -2.214) 2.372 13.086 ( 4.384 3.740 -4.145) 7.099 13.319 ( -4.923 -4.956 -2.537) 7.432 13.481 ( -8.811 -0.772 6.500) 10.976 13.567 ( -11.071 -2.633 4.676) 12.303 13.815 ( 3.523 6.705 3.400) 8.303 14.087 ( -1.080 -3.647 6.684) 7.690 14.240 ( 0.005 8.544 7.058) 11.082 14.525 ( 3.186 3.445 -6.136) 7.725 14.739 ( 4.673 0.080 -3.696) 5.958 14.912 ( -12.184 -7.234 -0.230) 14.172 15.314 ( -24.326 -1.577 10.173) 26.415 15.340 ( -13.694 -5.211 7.702) 16.553 15.958 ( -3.965 8.034 0.745) 8.990 16.182 ( -3.557 -0.917 -8.736) 9.477 16.208 ( -4.909 0.036 -3.666) 6.127 16.317 ( -5.226 -1.895 2.513) 6.100 16.655 ( -0.229 1.757 -3.842) 4.231 16.891 ( -0.497 -6.301 -10.631) 12.368 17.280 ( -1.887 2.137 2.479) 3.777 17.304 ( -0.873 -0.096 1.953) 2.141 17.725 ( 3.063 7.201 3.160) 8.440 17.843 ( 2.552 3.387 1.922) 4.656 17.914 ( 3.949 6.247 12.285) 14.337 18.094 ( 13.336 -5.782 -9.687) 17.468 18.182 ( -10.226 -5.742 8.523) 14.497 18.503 ( 5.247 -10.870 4.532) 12.893 18.805 ( -2.025 4.262 -2.168) 5.193 18.861 ( -6.725 0.710 -3.116) 7.446 18.986 ( 8.178 3.318 -0.828) 8.864 19.219 ( 9.999 -5.548 -1.059) 11.484 19.306 ( 0.813 0.538 0.665) 1.180 19.367 ( -1.402 0.802 2.407) 2.898 19.559 ( 4.957 5.015 -4.230) 8.223 19.614 ( 0.551 2.077 2.725) 3.470 19.725 ( 0.323 -4.658 -2.186) 5.156 19.762 ( 1.425 1.243 -2.376) 3.036 19.841 ( 0.854 0.414 -0.592) 1.119 19.883 ( 3.150 -0.716 -8.865) 9.435 19.988 ( -4.527 0.181 -0.722) 4.588 20.155 ( -0.937 -5.743 -1.691) 6.060 20.662 ( -2.701 7.763 -6.015) 10.185 20.830 ( -4.655 -0.205 -5.732) 7.387 20.915 ( 4.469 3.767 -1.084) 5.945 21.180 ( 5.504 -7.959 -3.875) 10.424 21.882 ( -0.347 4.221 -0.137) 4.237 21.952 ( -5.755 2.798 0.439) 6.414 22.045 ( -4.988 -1.854 0.406) 5.336 22.223 ( -6.161 -8.632 4.513) 11.526 22.289 ( -8.828 3.643 -3.412) 10.141 22.466 ( -6.940 -1.562 -1.935) 7.372 22.872 ( -17.403 6.261 1.090) 18.527 23.153 ( -10.375 -4.555 -7.373) 13.518 24.865 ( 4.924 1.617 1.120) 5.303 24.932 ( 8.695 -1.014 -4.148) 9.687 25.720 ( -4.006 4.655 17.399) 18.451 25.952 ( 8.507 -3.838 9.269) 13.153 26.281 ( 7.758 1.882 -4.140) 8.993 26.381 ( 8.587 -0.265 10.598) 13.643 26.742 ( 3.802 0.691 -0.616) 3.913 26.823 ( 7.719 3.891 -1.850) 8.840 26.966 ( -0.199 2.322 0.251) 2.344 27.446 ( -2.612 -1.306 -5.242) 6.001 27.467 ( 3.635 -8.817 -0.778) 9.569 27.680 ( -3.985 -7.939 3.581) 9.577 28.040 ( -2.323 8.512 6.558) 10.993 28.181 ( 4.049 4.276 0.463) 5.907 28.284 ( -5.499 2.813 6.809) 9.193 28.508 ( 1.546 -3.277 -6.427) 7.378 28.904 ( 8.575 1.392 -7.933) 11.765 29.022 ( 1.614 -2.707 -8.700) 9.254 29.580 ( 5.672 1.069 1.671) 6.009 29.630 ( 5.475 -0.784 -0.281) 5.538 30.254 ( 13.274 3.368 6.142) 15.009 30.417 ( 17.724 -3.413 5.191) 18.781 30.741 ( 19.716 5.982 -4.146) 21.016 31.165 ( 17.741 -10.138 -16.015) 25.962 31.239 ( -10.118 2.834 12.200) 16.101 31.392 ( -18.461 -2.477 5.996) 19.568 31.725 ( -18.095 0.986 7.565) 19.638 31.741 ( -8.881 0.709 -7.889) 11.901 32.945 ( 1.996 0.354 2.596) 3.294 32.971 ( -0.872 -0.328 4.031) 4.138 33.139 ( -6.411 0.322 -5.661) 8.559 33.216 ( -7.106 -0.408 -8.000) 10.708 33.701 ( 4.595 0.792 0.213) 4.668 33.809 ( -2.583 -2.766 3.268) 5.000 34.036 ( -3.656 6.918 -1.070) 7.897 34.248 ( -2.979 -2.350 -3.776) 5.353 37.973 ( 1.305 1.099 0.349) 1.741 38.017 ( 2.460 -0.143 -0.970) 2.648 38.333 ( -6.177 1.729 -3.031) 7.094 38.474 ( -6.772 -5.535 3.456) 9.405 38.504 ( -2.860 2.267 -2.821) 4.612 38.756 ( -4.108 -6.552 -1.781) 7.935 38.987 ( -3.393 5.604 4.423) 7.904 39.215 ( 1.549 4.856 8.724) 10.104 39.232 ( -5.395 -0.820 -3.286) 6.370 39.492 ( 3.927 -5.319 5.623) 8.679 39.655 ( 6.839 5.023 -3.472) 9.168 39.896 ( 3.875 -6.258 1.742) 7.564 40.354 ( -4.185 4.970 -0.367) 6.508 40.501 ( -7.853 -1.707 0.159) 8.038 40.612 ( -4.054 1.539 0.604) 4.378 40.814 ( 0.132 -4.801 0.328) 4.814 41.012 ( 2.231 4.686 1.397) 5.375 41.157 ( 3.660 -1.749 -1.232) 4.239 41.444 ( -0.909 4.737 7.682) 9.071 41.675 ( 2.602 -1.665 10.236) 10.692 42.202 ( -1.628 -5.312 -8.651) 10.282 42.414 ( 7.962 -6.694 9.590) 14.148 42.826 ( 4.425 16.759 -16.972) 24.259 43.399 ( -0.021 -8.100 -14.587) 16.685 ======================= Grid point 97 (52/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -6.348 4.122 -3.550) 8.360 2.261 ( -10.686 1.547 -7.216) 12.986 2.704 ( -0.562 4.721 4.276) 6.395 2.738 ( 2.446 -0.242 3.396) 4.192 2.923 ( -1.541 -5.670 -1.057) 5.970 3.073 ( -4.286 -7.858 -0.710) 8.979 3.143 ( 0.177 2.238 -0.592) 2.321 3.213 ( 3.715 -4.150 11.436) 12.721 3.281 ( 2.099 -4.946 -2.218) 5.813 3.393 ( -0.610 -4.026 6.153) 7.378 3.469 ( 1.319 5.492 -0.715) 5.694 3.605 ( 4.878 2.184 0.223) 5.349 3.719 ( -3.603 6.445 -3.607) 8.218 3.836 ( -5.187 2.469 -3.145) 6.549 3.989 ( -1.590 6.479 0.353) 6.680 4.233 ( -1.764 -6.912 4.469) 8.418 4.272 ( 9.972 6.172 4.670) 12.622 4.531 ( 3.399 -4.056 1.746) 5.572 4.576 ( 1.129 1.504 -4.395) 4.780 4.691 ( 0.096 -3.478 -11.958) 12.453 4.712 ( 2.080 3.962 7.042) 8.344 4.913 ( -12.382 -1.539 2.373) 12.701 5.046 ( 2.321 -2.153 3.303) 4.575 5.147 ( 2.383 -0.060 5.420) 5.921 5.196 ( -3.787 2.524 -3.767) 5.908 5.300 ( 1.776 -2.157 -2.959) 4.070 5.487 ( -3.779 -0.172 -5.654) 6.803 5.537 ( 1.785 1.163 -9.322) 9.563 5.649 ( 1.568 2.028 -4.560) 5.231 5.818 ( 9.042 -3.739 -5.105) 11.036 5.879 ( -0.285 1.651 -6.873) 7.075 6.010 ( -2.516 -0.370 -4.453) 5.129 6.144 ( 0.616 0.795 6.890) 6.963 6.162 ( 3.312 1.318 4.252) 5.549 6.403 ( 3.735 4.630 6.987) 9.177 6.587 ( 1.771 2.992 -8.831) 9.491 6.609 ( 2.112 -0.838 7.299) 7.644 6.801 ( 1.571 -5.660 -6.523) 8.778 7.117 ( -0.410 -0.982 1.531) 1.864 7.163 ( 0.434 0.598 -1.623) 1.783 7.332 ( 7.321 1.800 8.869) 11.641 7.414 ( -8.432 -0.499 2.898) 8.931 7.494 ( -11.710 0.300 8.703) 14.593 7.606 ( -2.894 -3.667 4.673) 6.608 7.713 ( -0.605 2.093 3.924) 4.489 7.949 ( -7.214 -6.775 4.895) 11.041 8.214 ( 3.009 6.338 -5.260) 8.768 8.469 ( 4.016 -3.707 -10.196) 11.568 9.140 ( -0.257 0.901 -2.670) 2.829 9.203 ( 3.264 -0.253 -0.399) 3.298 9.341 ( 0.093 2.251 3.016) 3.765 9.494 ( 2.913 -2.472 -1.888) 4.261 10.156 ( 4.830 8.462 0.780) 9.774 10.249 ( -5.920 5.733 -6.201) 10.314 10.468 ( 2.353 -0.414 -0.330) 2.412 10.518 ( -5.196 -1.264 -3.934) 6.639 10.706 ( 4.385 -1.794 6.322) 7.900 10.900 ( 2.797 -1.706 2.617) 4.194 11.085 ( 1.454 -4.114 -0.151) 4.366 11.267 ( -3.692 -7.452 -7.172) 10.982 11.539 ( 5.746 3.530 7.432) 10.035 11.651 ( 0.475 1.569 3.930) 4.258 12.219 ( -5.163 -0.185 -1.059) 5.274 12.244 ( 2.453 -1.390 -3.467) 4.469 12.403 ( -6.006 -0.213 1.949) 6.318 12.457 ( -8.922 -4.503 0.637) 10.015 12.561 ( 3.088 1.325 0.680) 3.429 12.720 ( 0.670 -3.607 -3.197) 4.867 13.208 ( 1.822 0.738 0.033) 1.966 13.257 ( -4.091 0.003 -2.432) 4.760 13.385 ( 3.026 -1.965 1.818) 4.040 13.434 ( 3.649 -1.758 -0.598) 4.094 13.927 ( 1.123 8.246 9.533) 12.654 13.955 ( -7.790 11.948 1.753) 14.370 14.376 ( 5.686 -4.897 8.422) 11.280 14.546 ( -2.577 -4.674 -7.721) 9.387 14.727 ( -0.764 5.185 1.715) 5.515 14.913 ( 5.055 -2.131 -1.815) 5.778 14.972 ( -6.045 1.359 9.495) 11.338 15.234 ( -0.234 -10.670 2.201) 10.897 15.959 ( 2.324 6.875 1.849) 7.488 16.114 ( 1.030 -1.603 -2.558) 3.189 16.172 ( 2.702 1.010 -6.451) 7.066 16.267 ( 0.784 -0.757 -2.554) 2.777 16.616 ( -2.339 1.714 -3.003) 4.175 16.816 ( -1.214 -4.694 -7.825) 9.205 17.270 ( -1.855 -1.701 1.704) 3.040 17.287 ( -1.071 -0.793 2.765) 3.070 17.569 ( -13.102 4.774 10.510) 17.462 17.779 ( -16.354 -3.929 15.913) 23.155 18.115 ( 13.267 6.582 -10.046) 17.896 18.307 ( 9.042 1.478 6.265) 11.099 18.340 ( 13.729 -3.315 -4.611) 14.858 18.474 ( -8.521 -1.766 9.890) 13.173 18.616 ( -5.685 5.718 -4.641) 9.304 18.942 ( 8.230 -7.430 -2.169) 11.298 19.109 ( 5.554 2.505 -0.073) 6.093 19.263 ( -1.565 0.283 -5.795) 6.009 19.310 ( -3.814 -1.506 0.611) 4.146 19.407 ( 4.491 -6.227 -0.110) 7.678 19.584 ( -1.600 2.376 0.173) 2.870 19.647 ( 3.034 4.794 -0.293) 5.681 19.714 ( 1.639 -3.200 -3.577) 5.071 19.810 ( -1.486 0.362 -0.901) 1.775 19.826 ( 0.690 -1.047 -3.220) 3.455 19.866 ( 0.259 0.801 -8.387) 8.429 19.950 ( 1.696 2.414 1.854) 3.484 20.110 ( -2.233 -3.754 -4.076) 5.974 20.597 ( -1.516 3.674 -3.995) 5.635 20.665 ( -3.733 3.850 -5.314) 7.550 21.034 ( 5.019 1.783 0.919) 5.405 21.279 ( 7.013 -6.172 -10.438) 14.008 21.834 ( -5.839 2.192 3.052) 6.943 21.916 ( 3.309 3.443 0.164) 4.778 22.022 ( 2.948 -0.604 1.215) 3.245 22.038 ( -7.122 -1.932 1.129) 7.465 22.277 ( 1.463 -5.056 2.782) 5.954 22.324 ( -7.001 -2.746 -2.412) 7.898 22.719 ( 0.300 7.401 3.064) 8.016 22.998 ( -1.170 -4.767 -8.028) 9.410 24.903 ( -1.483 2.244 0.949) 2.852 25.001 ( 0.470 -1.397 -3.799) 4.075 25.707 ( -5.059 7.305 16.568) 18.800 26.113 ( 5.646 -8.907 2.836) 10.920 26.430 ( 5.843 7.041 2.656) 9.527 26.542 ( 5.581 1.656 3.979) 7.051 26.805 ( 1.430 -0.626 1.920) 2.474 26.937 ( -3.478 0.124 0.446) 3.509 27.019 ( 10.937 4.913 1.727) 12.114 27.337 ( -4.462 0.426 -10.376) 11.302 27.511 ( -1.351 -8.322 -0.963) 8.486 27.563 ( -4.259 -8.669 -0.592) 9.677 27.950 ( -10.097 6.923 9.672) 15.602 28.146 ( -8.070 -1.909 11.732) 14.367 28.366 ( 9.238 6.738 -4.874) 12.429 28.541 ( 4.262 -0.881 -5.006) 6.633 28.977 ( -2.451 -0.597 -7.121) 7.555 28.998 ( 3.733 -1.452 -6.309) 7.473 29.638 ( -0.812 0.869 1.883) 2.227 29.696 ( 1.113 -1.370 0.437) 1.819 30.532 ( 10.264 3.713 8.162) 13.629 30.714 ( 6.253 -2.944 6.996) 9.834 30.955 ( -0.362 -0.070 -6.508) 6.519 30.975 ( -21.179 -0.778 2.740) 21.370 31.145 ( 1.729 2.745 1.933) 3.776 31.280 ( -10.309 -1.890 -3.406) 11.020 31.631 ( 14.510 0.161 0.061) 14.511 31.701 ( 9.014 -0.648 -7.016) 11.441 32.905 ( -7.501 0.244 4.539) 8.771 32.917 ( -6.023 -0.793 4.396) 7.499 33.034 ( -2.169 1.289 -2.541) 3.581 33.113 ( -0.490 -1.848 -5.342) 5.674 33.778 ( 2.047 -0.005 1.030) 2.292 33.823 ( 2.742 -1.060 1.281) 3.207 33.980 ( -0.883 5.528 -0.602) 5.630 34.184 ( -0.726 -2.976 -4.986) 5.852 38.029 ( 3.864 1.638 0.497) 4.226 38.098 ( 4.642 -0.155 -1.948) 5.037 38.218 ( -2.205 0.672 -1.932) 3.008 38.298 ( -7.532 -2.372 -2.762) 8.366 38.511 ( 0.513 -0.993 3.844) 4.003 38.666 ( -3.459 -4.720 -1.582) 6.062 38.972 ( -1.293 3.084 5.337) 6.298 39.138 ( -2.586 -1.238 -2.663) 3.913 39.285 ( 0.289 6.310 9.770) 11.634 39.596 ( 2.614 -4.578 7.441) 9.120 39.746 ( 4.748 3.893 -6.358) 8.839 39.939 ( 0.338 -3.456 -3.703) 5.076 40.284 ( -2.789 0.239 3.123) 4.194 40.373 ( -4.786 -3.682 1.652) 6.260 40.565 ( -1.225 4.768 0.850) 4.996 40.803 ( -0.051 -4.753 -2.736) 5.484 41.042 ( -0.744 6.182 2.890) 6.864 41.226 ( 3.667 -1.823 -0.505) 4.126 41.499 ( 2.370 0.221 7.839) 8.193 41.723 ( -3.384 -5.251 6.353) 8.909 42.125 ( -1.734 5.069 -1.781) 5.645 42.606 ( 5.574 -8.824 11.981) 15.890 42.802 ( 2.842 14.676 -21.850) 26.474 43.282 ( -4.036 -5.893 -15.372) 16.951 ======================= Grid point 98 (53/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -15.823 7.508 2.702) 17.721 2.066 ( -7.459 7.304 8.284) 13.327 2.701 ( -6.437 -6.688 3.739) 10.008 2.741 ( 2.352 3.721 2.544) 5.084 2.896 ( -10.023 -6.592 1.277) 12.064 2.977 ( 1.856 -9.048 -1.838) 9.417 3.098 ( -3.247 2.402 -1.895) 4.462 3.207 ( -3.009 -2.525 2.148) 4.477 3.369 ( 1.403 -0.314 1.804) 2.306 3.479 ( -6.616 1.354 3.353) 7.540 3.507 ( 6.741 2.858 0.651) 7.350 3.616 ( -3.963 1.857 -0.448) 4.399 3.642 ( -2.895 0.463 -3.540) 4.597 3.724 ( 0.653 -0.031 -1.221) 1.385 3.934 ( -5.021 6.851 0.067) 8.494 4.193 ( -2.062 -7.184 -0.119) 7.475 4.334 ( -6.248 4.551 0.003) 7.730 4.562 ( 5.037 0.633 4.889) 7.048 4.634 ( -0.339 4.568 0.095) 4.582 4.645 ( 4.105 1.595 -7.794) 8.952 4.765 ( -3.411 -4.075 -2.261) 5.775 4.827 ( 2.975 1.211 5.045) 5.980 5.070 ( -0.894 -0.855 -1.343) 1.826 5.123 ( -2.989 -5.546 -0.767) 6.347 5.214 ( 2.496 -0.080 7.988) 8.370 5.379 ( 4.050 -5.441 2.035) 7.082 5.418 ( 2.103 1.282 -7.908) 8.283 5.495 ( -0.113 4.415 -5.441) 7.008 5.636 ( -0.668 3.617 -4.064) 5.481 5.757 ( -8.252 0.571 -8.409) 11.796 5.844 ( -7.848 0.667 -3.147) 8.482 5.908 ( 0.034 -1.078 -11.225) 11.276 6.175 ( -1.304 0.141 4.991) 5.161 6.279 ( 7.299 -5.184 4.361) 9.958 6.489 ( -4.123 5.859 -7.289) 10.220 6.578 ( 9.581 5.651 2.412) 11.382 6.745 ( 7.081 -0.944 4.617) 8.506 6.886 ( 5.687 -5.161 -4.071) 8.692 7.091 ( -4.490 1.514 -0.677) 4.786 7.176 ( -1.283 -0.288 0.846) 1.564 7.195 ( -14.531 2.249 2.996) 15.006 7.313 ( -3.652 1.595 10.681) 11.400 7.521 ( 5.137 -4.273 8.867) 11.102 7.568 ( -2.180 -4.552 2.945) 5.844 7.690 ( -2.836 0.534 1.472) 3.240 7.816 ( -6.398 -4.352 4.682) 9.044 8.144 ( -6.301 6.168 -3.230) 9.390 8.364 ( -8.867 -2.295 -5.418) 10.642 9.075 ( -3.723 2.149 -4.801) 6.445 9.196 ( -3.138 -2.990 -0.811) 4.410 9.314 ( -3.819 2.717 1.977) 5.087 9.480 ( -3.615 -3.495 -1.449) 5.233 10.118 ( -2.233 7.240 -8.019) 11.032 10.235 ( 0.357 9.283 2.820) 9.709 10.366 ( -7.190 -1.961 -3.455) 8.215 10.491 ( -1.394 -1.087 3.785) 4.178 10.767 ( -4.736 0.702 4.133) 6.325 10.835 ( -4.355 2.987 -2.066) 5.671 11.106 ( -0.322 -8.844 -2.664) 9.242 11.241 ( 1.724 -7.045 -0.853) 7.303 11.642 ( 4.753 3.107 -0.231) 5.683 11.766 ( 6.926 -1.530 2.495) 7.519 12.082 ( -6.971 1.524 5.555) 9.043 12.212 ( -11.990 -1.981 1.918) 12.303 12.299 ( 4.436 -0.587 -2.547) 5.149 12.331 ( 0.322 1.652 1.281) 2.115 12.712 ( 6.817 -2.539 -0.528) 7.294 12.778 ( 2.958 -4.727 -0.157) 5.578 13.041 ( -7.977 1.532 -2.343) 8.454 13.253 ( 1.718 -8.133 -0.051) 8.312 13.523 ( 3.551 0.828 3.146) 4.816 13.586 ( -0.999 -0.463 4.018) 4.166 13.841 ( -2.121 12.292 -0.264) 12.476 13.976 ( 0.501 12.894 8.213) 15.295 14.457 ( 2.524 -8.043 -3.474) 9.118 14.555 ( 8.278 -5.802 -4.697) 11.147 14.823 ( 13.718 3.820 0.079) 14.240 14.981 ( 12.682 -2.740 3.833) 13.529 15.177 ( 9.055 1.720 5.758) 10.867 15.334 ( 5.737 -5.785 8.893) 12.061 16.039 ( 4.390 3.350 2.590) 6.100 16.177 ( 4.343 -4.058 -3.617) 6.957 16.233 ( 8.624 3.763 -7.701) 12.159 16.361 ( 10.481 2.022 -2.402) 10.941 16.538 ( -3.605 3.439 -0.972) 5.076 16.784 ( 1.772 -5.887 -5.770) 8.431 17.163 ( -11.714 -2.982 7.229) 14.084 17.298 ( -0.341 -3.520 2.042) 4.084 17.423 ( -3.406 3.904 1.354) 5.355 17.579 ( -8.991 -3.146 6.822) 11.716 18.048 ( -11.157 9.980 -6.598) 16.359 18.287 ( -9.678 -1.649 10.900) 14.670 18.484 ( 3.551 0.900 6.109) 7.123 18.597 ( 12.685 -1.511 -2.485) 13.014 18.715 ( 6.736 5.286 3.274) 9.167 19.000 ( 2.048 -6.494 -6.296) 9.274 19.141 ( -6.029 -2.342 -2.375) 6.890 19.214 ( -0.087 -2.363 -5.977) 6.428 19.276 ( 4.535 -0.282 0.831) 4.619 19.432 ( -1.598 -1.022 0.479) 1.956 19.525 ( -4.018 0.476 2.414) 4.712 19.660 ( -7.897 2.646 -5.856) 10.181 19.699 ( -1.422 -3.974 -0.843) 4.304 19.736 ( 4.282 3.894 -5.365) 7.892 19.856 ( 2.607 -0.201 -6.690) 7.183 19.881 ( 3.597 -1.096 -2.319) 4.418 20.034 ( 0.802 -1.442 -1.475) 2.213 20.039 ( 2.742 -0.999 0.233) 2.927 20.574 ( 2.668 5.232 -4.180) 7.209 20.653 ( 1.784 4.586 -0.444) 4.941 21.107 ( 2.749 -1.336 -0.363) 3.078 21.266 ( -2.858 -5.178 -13.546) 14.781 21.800 ( 1.747 4.183 4.363) 6.291 21.981 ( 1.488 2.326 -0.107) 2.764 22.076 ( 10.367 -2.639 1.316) 10.778 22.161 ( 6.476 -1.053 1.812) 6.806 22.207 ( 0.577 0.896 -1.574) 1.901 22.329 ( 2.115 -4.738 3.828) 6.448 22.862 ( 11.002 3.049 5.784) 12.799 23.037 ( 9.651 -4.213 -6.741) 12.503 24.823 ( -7.054 2.124 0.620) 7.393 24.914 ( -7.546 -1.461 -2.546) 8.097 25.721 ( -2.484 11.528 16.230) 20.062 26.219 ( 4.588 -4.557 -0.444) 6.482 26.488 ( -1.643 1.043 -1.932) 2.742 26.642 ( 2.965 4.200 -0.776) 5.199 26.783 ( -8.371 0.145 0.335) 8.379 26.837 ( -3.068 -4.548 2.930) 6.219 27.137 ( -6.513 1.066 -11.689) 13.423 27.191 ( -1.250 1.522 -3.360) 3.895 27.384 ( 0.036 -2.484 2.202) 3.319 27.661 ( 7.061 -8.348 3.075) 11.358 27.796 ( -9.507 7.714 8.936) 15.157 28.064 ( -6.571 -3.739 13.730) 15.674 28.489 ( 5.703 5.537 -6.046) 9.987 28.600 ( 3.907 0.474 -3.374) 5.184 28.839 ( -6.946 1.349 -7.495) 10.307 28.986 ( -1.372 -3.549 -5.327) 6.546 29.573 ( -6.509 1.248 1.553) 6.808 29.670 ( -4.067 -2.569 -0.640) 4.853 30.435 ( -25.076 3.082 3.415) 25.495 30.631 ( -11.731 2.146 6.623) 13.642 30.691 ( -11.702 -4.229 -3.993) 13.068 30.832 ( -8.848 -1.482 -2.059) 9.205 31.232 ( 8.289 1.303 4.557) 9.548 31.292 ( 12.647 -0.604 -3.623) 13.169 31.936 ( 19.628 2.328 -8.022) 21.331 31.999 ( 17.359 -0.003 -0.482) 17.365 32.783 ( -7.666 1.238 7.057) 10.494 32.813 ( -7.198 -1.448 7.284) 10.342 32.989 ( -0.852 1.079 -3.284) 3.560 33.103 ( 1.098 -4.099 -1.590) 4.532 33.820 ( 2.275 0.817 0.744) 2.529 33.868 ( 2.169 -0.412 -2.826) 3.586 34.023 ( 4.015 3.444 4.381) 6.868 34.169 ( 1.376 -2.407 -4.552) 5.330 38.067 ( -0.589 -0.264 -2.961) 3.031 38.092 ( -0.957 -0.448 -4.855) 4.968 38.221 ( 3.120 2.503 1.259) 4.193 38.319 ( 7.887 -0.263 2.129) 8.173 38.563 ( 2.020 -4.418 6.232) 7.902 38.625 ( 0.285 -5.365 -0.694) 5.417 38.985 ( -0.541 2.375 6.619) 7.053 39.104 ( 0.181 -1.267 -1.494) 1.967 39.322 ( -1.431 8.214 8.169) 11.672 39.613 ( -4.069 1.819 -2.068) 4.914 39.780 ( 1.460 -2.377 -4.305) 5.129 39.864 ( -3.486 -0.477 -6.635) 7.510 40.268 ( -2.584 -0.368 10.279) 10.605 40.383 ( 3.320 -5.222 3.397) 7.059 40.590 ( 4.255 3.524 2.033) 5.887 40.799 ( 1.211 -5.090 -1.527) 5.450 41.027 ( -1.344 5.949 0.464) 6.117 41.273 ( 1.214 -2.696 -2.042) 3.593 41.603 ( 2.796 -4.785 9.329) 10.851 41.616 ( -7.180 -6.425 0.046) 9.635 42.142 ( 1.234 13.749 8.432) 16.176 42.689 ( -1.967 13.406 -24.863) 28.315 42.741 ( 1.483 -10.292 10.792) 14.986 43.082 ( -7.726 -3.215 -15.439) 17.562 ======================= Grid point 99 (54/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -17.529 8.815 16.838) 25.856 2.037 ( -4.629 12.857 21.911) 25.823 2.503 ( -22.708 -10.827 3.731) 25.432 2.655 ( -17.834 4.419 -2.582) 18.553 2.777 ( -8.061 -6.308 5.234) 11.496 2.816 ( -6.884 0.269 -2.993) 7.511 3.064 ( -0.356 -0.093 1.285) 1.337 3.095 ( -5.502 -3.064 -3.135) 7.034 3.267 ( -5.840 0.771 3.638) 6.924 3.345 ( -12.328 -4.412 -0.259) 13.096 3.449 ( 4.989 -0.425 -1.688) 5.284 3.588 ( -0.755 -2.470 -4.175) 4.909 3.704 ( 1.694 -0.535 -1.829) 2.550 3.778 ( -2.521 1.707 2.807) 4.141 3.915 ( 8.283 8.512 -1.140) 11.931 4.165 ( -0.893 -5.062 -0.252) 5.147 4.305 ( 1.372 5.886 0.457) 6.061 4.545 ( -6.309 1.317 -5.746) 8.635 4.568 ( -5.577 -1.204 3.635) 6.765 4.626 ( -2.152 -1.271 -5.067) 5.649 4.731 ( -2.134 -2.972 3.425) 5.012 4.946 ( 1.346 -5.130 2.585) 5.900 5.002 ( -5.326 2.280 1.406) 5.962 5.070 ( 1.354 5.328 -3.124) 6.322 5.271 ( 0.326 -6.505 -0.980) 6.587 5.403 ( -0.437 3.021 2.570) 3.990 5.446 ( -9.740 0.909 3.016) 10.237 5.499 ( -1.115 -4.280 -8.713) 9.771 5.513 ( -0.635 1.997 1.087) 2.361 5.581 ( -4.847 -1.885 -5.139) 7.311 5.709 ( 1.069 6.167 -7.464) 9.741 5.795 ( -3.442 3.126 -10.614) 11.587 6.170 ( 1.461 2.314 0.167) 2.742 6.377 ( -1.439 4.532 -5.880) 7.562 6.484 ( 8.444 -7.397 0.128) 11.227 6.641 ( -8.149 -4.187 -2.225) 9.428 6.805 ( 1.573 4.470 5.842) 7.523 6.895 ( -7.618 4.823 0.618) 9.038 7.012 ( 6.692 -2.049 8.518) 11.024 7.115 ( 3.028 2.460 -0.689) 3.962 7.244 ( 6.347 -3.077 2.661) 7.539 7.362 ( -0.120 -1.034 7.656) 7.727 7.573 ( 0.249 -1.493 1.012) 1.821 7.645 ( -1.640 0.329 1.796) 2.454 7.667 ( 11.507 -2.926 -1.202) 11.934 7.786 ( -0.919 -6.772 3.119) 7.512 8.068 ( 1.507 5.090 0.476) 5.330 8.173 ( -6.736 0.294 -1.126) 6.835 8.966 ( -5.105 2.451 -2.890) 6.358 9.098 ( -6.379 -2.970 -1.226) 7.143 9.220 ( -6.399 2.177 0.653) 6.790 9.348 ( -8.978 -3.254 -2.049) 9.767 9.992 ( -9.284 5.360 -5.420) 12.012 10.140 ( -5.859 4.797 -4.790) 8.960 10.265 ( -3.676 3.062 -0.927) 4.873 10.455 ( -5.438 -0.459 4.989) 7.394 10.629 ( -7.626 2.297 1.101) 8.040 10.744 ( -2.909 1.983 -4.291) 5.550 11.144 ( 4.384 -8.877 0.846) 9.937 11.224 ( -2.979 -9.523 2.992) 10.417 11.758 ( 6.990 2.508 -3.183) 8.080 11.856 ( 2.933 -0.921 -2.881) 4.213 11.995 ( -7.497 -0.284 1.745) 7.703 12.083 ( -2.158 -2.794 9.237) 9.888 12.365 ( 2.346 5.233 -3.187) 6.561 12.440 ( 8.991 5.001 3.635) 10.911 12.745 ( -3.316 -4.136 0.507) 5.325 12.844 ( 4.908 -2.370 0.822) 5.512 12.929 ( -3.022 4.399 -0.983) 5.427 13.343 ( 4.218 -12.213 6.155) 14.312 13.450 ( -8.808 -0.802 4.266) 9.819 13.468 ( -9.674 -1.741 4.113) 10.655 13.742 ( -5.945 10.629 0.761) 12.202 14.125 ( 6.767 2.180 0.272) 7.115 14.454 ( 5.217 4.129 -8.491) 10.787 14.841 ( 15.220 -7.631 -1.797) 17.120 15.153 ( 12.855 -0.330 1.874) 12.996 15.191 ( 7.203 -0.909 -0.926) 7.319 15.475 ( 11.199 0.124 9.801) 14.882 15.516 ( 12.910 0.039 7.609) 14.986 16.159 ( 6.698 0.418 3.724) 7.675 16.248 ( 5.288 0.723 -2.993) 6.119 16.294 ( 1.562 0.832 -3.845) 4.232 16.537 ( 2.781 8.523 2.219) 9.235 16.653 ( 18.098 2.289 0.604) 18.253 16.776 ( -3.024 -12.244 -4.488) 13.386 17.021 ( 0.823 0.249 0.836) 1.199 17.265 ( -4.015 -7.992 3.885) 9.751 17.446 ( 4.790 2.158 -1.726) 5.530 17.535 ( 2.006 -0.682 0.469) 2.170 17.831 ( -5.498 11.901 -5.975) 14.407 18.184 ( -5.128 -3.995 7.223) 9.717 18.508 ( -4.448 3.258 8.365) 10.019 18.712 ( -6.271 -2.490 3.533) 7.617 18.786 ( 3.600 0.677 1.734) 4.053 18.925 ( -6.044 -2.854 -7.277) 9.881 19.096 ( 1.523 -1.320 -2.007) 2.844 19.189 ( 1.748 -3.903 -8.761) 9.749 19.313 ( -1.331 2.155 -0.412) 2.566 19.417 ( -1.882 3.647 0.093) 4.105 19.461 ( -2.968 0.798 -6.426) 7.123 19.514 ( -0.928 -3.454 0.354) 3.594 19.672 ( -6.329 0.530 -4.858) 7.996 19.694 ( -0.900 -4.296 0.720) 4.448 19.824 ( -1.065 0.435 -4.251) 4.404 19.907 ( 2.035 -1.927 -1.933) 3.405 20.129 ( 7.186 -0.128 -2.257) 7.533 20.138 ( 5.532 -0.913 0.950) 5.687 20.649 ( 5.983 5.848 -3.652) 9.129 20.684 ( 0.471 3.794 2.094) 4.359 21.097 ( -4.065 -1.266 -10.092) 10.954 21.158 ( 1.770 -2.981 -1.830) 3.920 21.890 ( 5.402 3.912 -0.949) 6.737 22.021 ( 1.825 0.211 1.199) 2.194 22.123 ( -1.417 -0.085 -1.038) 1.758 22.231 ( 0.796 -6.310 2.216) 6.735 22.496 ( 18.328 1.879 4.807) 19.041 22.514 ( 18.990 0.691 1.151) 19.038 23.179 ( 17.843 0.591 6.714) 19.074 23.309 ( 19.824 -3.932 -0.889) 20.229 24.641 ( -11.828 1.338 -0.161) 11.904 24.691 ( -14.026 -0.869 -1.461) 14.129 25.754 ( -4.103 16.217 15.642) 22.902 26.214 ( -12.634 6.832 -9.611) 17.282 26.321 ( -4.273 -6.332 -1.071) 7.714 26.442 ( -18.389 0.540 -8.093) 20.098 26.743 ( 4.368 -0.620 -5.738) 7.238 26.847 ( -0.357 -8.773 9.006) 12.578 26.924 ( -4.884 1.333 -14.974) 15.806 27.081 ( -5.875 -5.357 2.979) 8.491 27.545 ( 9.148 5.259 3.567) 11.138 27.680 ( -4.356 6.921 6.827) 10.653 27.791 ( 1.185 -2.423 2.289) 3.537 28.079 ( 1.445 -5.937 13.535) 14.850 28.473 ( -6.183 7.583 -4.798) 10.897 28.654 ( 3.550 2.415 -2.692) 5.068 28.723 ( 2.265 -0.647 -8.606) 8.922 28.911 ( -2.945 -5.298 -4.814) 7.741 29.419 ( -9.509 0.926 1.342) 9.648 29.514 ( -10.858 -3.227 -3.756) 11.933 30.000 ( -19.870 4.211 4.317) 20.765 30.289 ( -19.577 -6.598 0.391) 20.663 30.399 ( -16.732 4.819 -3.799) 17.822 30.619 ( -10.752 -2.927 -5.716) 12.524 31.480 ( 12.261 0.486 4.131) 12.947 31.551 ( 12.317 -1.247 0.546) 12.392 32.254 ( 14.972 2.034 -6.774) 16.559 32.291 ( 11.937 2.133 3.407) 12.596 32.690 ( -5.975 1.590 8.896) 10.834 32.727 ( -5.874 -1.424 9.678) 11.410 32.986 ( 3.512 1.360 -5.074) 6.319 33.146 ( 3.838 -5.213 0.149) 6.476 33.874 ( 3.421 1.334 -1.098) 3.833 33.911 ( 4.155 0.625 -2.866) 5.086 34.144 ( 4.023 0.376 6.393) 7.563 34.175 ( 1.352 -0.989 -1.220) 2.072 38.053 ( 1.093 -0.438 -2.980) 3.204 38.072 ( 2.915 -0.769 -2.979) 4.238 38.358 ( 7.907 4.250 2.806) 9.405 38.446 ( 3.215 0.935 1.871) 3.835 38.627 ( 1.043 -7.925 4.831) 9.340 38.700 ( 6.463 -9.095 2.036) 11.342 39.020 ( 0.068 0.866 7.551) 7.601 39.125 ( 1.195 -2.398 0.907) 2.829 39.306 ( -3.633 9.806 3.090) 10.904 39.447 ( -7.449 9.750 -6.612) 13.938 39.656 ( -7.645 0.166 -7.299) 10.572 39.868 ( 2.124 -5.151 2.174) 5.981 40.300 ( -0.824 2.277 12.646) 12.875 40.461 ( 3.282 -2.938 2.072) 4.868 40.767 ( 9.786 -2.455 3.215) 10.589 40.853 ( 5.903 -4.827 0.345) 7.634 41.000 ( -0.950 2.563 -1.793) 3.269 41.208 ( -5.545 -7.244 -7.896) 12.065 41.519 ( -2.519 2.163 3.914) 5.133 41.699 ( 1.625 -6.800 8.084) 10.688 42.230 ( 0.660 9.404 6.630) 11.526 42.495 ( -2.122 17.078 -19.068) 25.686 42.677 ( -12.052 -8.195 -6.272) 15.867 42.925 ( -1.166 -3.288 0.692) 3.556 ======================= Grid point 100 (55/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -12.187 4.450 27.844) 30.718 1.698 ( -38.939 12.229 10.760) 42.208 2.179 ( -3.840 14.770 22.720) 27.370 2.274 ( -17.500 -12.048 8.877) 23.026 2.692 ( -0.251 -8.376 1.521) 8.517 2.817 ( 1.202 3.396 -4.554) 5.807 2.961 ( -8.759 -4.348 -4.968) 10.968 3.042 ( -4.579 0.116 14.143) 14.867 3.176 ( -5.548 -2.458 -4.234) 7.399 3.236 ( -1.961 -6.885 4.173) 8.287 3.423 ( -5.167 3.751 -3.660) 7.360 3.594 ( -7.292 0.608 -10.464) 12.769 3.604 ( 3.281 -1.189 -1.003) 3.631 3.728 ( 0.496 -0.623 -5.252) 5.312 4.079 ( 4.199 -0.765 -0.558) 4.304 4.104 ( -6.489 -1.727 -2.584) 7.195 4.315 ( -1.222 4.692 -9.982) 11.097 4.345 ( -1.052 1.952 2.269) 3.173 4.515 ( -7.689 -2.842 6.605) 10.527 4.575 ( -0.150 0.806 4.841) 4.910 4.686 ( -11.203 6.896 -2.227) 13.343 4.752 ( 1.462 -2.380 2.558) 3.788 5.026 ( -6.043 5.038 -3.586) 8.646 5.116 ( 3.789 -6.321 -1.814) 7.590 5.232 ( -2.866 2.235 -1.860) 4.083 5.264 ( 0.396 -7.042 -5.412) 8.891 5.379 ( -2.313 -1.269 0.250) 2.650 5.460 ( -0.345 -2.093 -1.077) 2.379 5.506 ( -3.545 -2.496 0.197) 4.340 5.522 ( 1.232 -6.506 1.121) 6.716 5.686 ( 2.520 9.142 -5.967) 11.205 5.802 ( 4.418 8.494 -7.436) 12.123 6.278 ( 9.026 2.809 -2.572) 9.797 6.348 ( -0.519 6.210 -0.820) 6.285 6.415 ( -7.577 0.521 0.373) 7.604 6.618 ( -1.883 -0.908 -1.019) 2.326 6.791 ( 4.640 -2.379 0.867) 5.286 6.953 ( 4.031 2.612 -0.191) 4.807 7.075 ( -3.382 -10.029 6.650) 12.500 7.185 ( 1.657 1.439 3.013) 3.728 7.361 ( 5.015 -0.618 3.818) 6.334 7.512 ( 9.137 0.812 5.053) 10.473 7.590 ( 3.096 3.831 -1.886) 5.274 7.634 ( -0.665 0.946 0.205) 1.175 7.757 ( -3.087 -4.946 4.035) 7.090 7.920 ( 11.894 -3.122 -4.416) 13.066 8.086 ( -0.081 2.725 -2.973) 4.034 8.217 ( 9.341 -2.754 2.324) 10.012 8.854 ( -5.231 1.096 -0.967) 5.431 8.934 ( -9.555 -2.045 -0.437) 9.781 9.089 ( -6.285 0.814 -2.018) 6.651 9.127 ( -10.379 -1.282 -3.955) 11.181 9.792 ( -7.253 6.185 0.124) 9.533 10.015 ( -4.791 -1.537 -2.341) 5.549 10.151 ( -6.140 5.459 -3.825) 9.062 10.328 ( -7.868 -0.973 -0.396) 7.938 10.522 ( -4.237 3.219 3.017) 6.117 10.714 ( 1.763 1.146 -6.525) 6.855 11.191 ( -1.443 -8.617 4.491) 9.823 11.247 ( 3.679 -8.408 3.352) 9.771 11.851 ( -0.269 2.224 0.643) 2.331 11.885 ( 2.946 0.165 -2.495) 3.864 11.892 ( 0.279 1.227 -1.117) 1.683 12.090 ( -2.892 -5.382 4.150) 7.386 12.368 ( 0.751 3.336 -2.788) 4.412 12.637 ( 3.430 -1.504 -0.126) 3.747 12.667 ( -0.947 6.945 6.226) 9.376 12.879 ( 0.687 4.845 -3.790) 6.190 12.970 ( 4.482 -2.383 5.851) 7.746 13.247 ( -10.361 -0.710 3.778) 11.052 13.361 ( -1.504 -1.705 6.614) 6.994 13.504 ( 5.300 -9.642 4.591) 11.922 13.677 ( -1.836 8.664 2.121) 9.107 14.155 ( 0.105 -7.396 -7.161) 10.296 14.591 ( 9.131 7.792 -4.720) 12.898 14.937 ( -2.429 -9.130 -3.824) 10.193 15.264 ( 1.485 2.279 7.400) 7.884 15.382 ( 4.637 -1.090 -0.194) 4.768 15.569 ( -4.785 3.619 13.670) 14.929 15.715 ( 4.049 -1.897 -1.841) 4.836 16.260 ( 5.185 5.192 -0.605) 7.362 16.351 ( 5.867 2.037 0.263) 6.216 16.508 ( -2.850 3.579 4.233) 6.233 16.588 ( 21.927 -4.913 -2.396) 22.598 16.687 ( -0.747 -2.642 -4.417) 5.201 16.968 ( 8.015 -2.859 5.469) 10.116 17.169 ( 8.141 -2.043 2.386) 8.726 17.263 ( 6.696 -6.053 -1.391) 9.133 17.546 ( 4.106 2.525 -0.982) 4.920 17.596 ( 3.281 1.237 -1.361) 3.761 17.824 ( 7.310 10.152 -3.037) 12.874 18.173 ( 1.533 -5.471 0.680) 5.722 18.433 ( -8.821 1.343 7.454) 11.627 18.580 ( -4.523 -2.881 -0.049) 5.363 18.694 ( -9.533 2.018 -2.440) 10.045 18.808 ( -4.498 -2.192 -3.182) 5.930 19.061 ( -7.741 0.125 -3.767) 8.610 19.110 ( -4.795 -1.244 -9.607) 10.809 19.232 ( -4.381 2.402 -2.058) 5.404 19.376 ( 1.044 -3.588 -0.763) 3.814 19.396 ( -1.191 2.008 -3.672) 4.351 19.528 ( 0.244 -2.454 3.116) 3.973 19.604 ( 2.873 1.873 1.178) 3.626 19.714 ( 1.180 -2.805 0.266) 3.055 19.774 ( -2.476 -0.509 -3.642) 4.433 19.925 ( 1.247 -4.381 -4.293) 6.259 20.221 ( 3.472 1.250 1.244) 3.894 20.248 ( 4.508 0.557 -0.420) 4.562 20.688 ( -0.676 2.504 2.758) 3.786 20.711 ( 1.094 2.477 -1.955) 3.340 21.052 ( 5.251 1.732 -10.156) 11.564 21.155 ( -2.018 -1.965 -2.999) 4.114 21.984 ( 4.351 2.726 -1.193) 5.271 22.049 ( -0.109 0.233 1.638) 1.658 22.123 ( 2.228 -0.026 -1.221) 2.540 22.210 ( -2.669 -3.751 2.555) 5.265 22.911 ( 21.243 0.991 1.926) 21.353 22.958 ( 22.607 0.777 2.627) 22.772 23.607 ( 21.171 0.372 8.484) 22.810 23.740 ( 21.006 -3.605 6.207) 22.198 24.367 ( -15.392 0.433 -1.209) 15.445 24.381 ( -15.886 -0.470 -1.094) 15.930 25.617 ( -18.661 11.341 4.492) 22.294 25.780 ( -20.637 3.007 -12.359) 24.242 26.012 ( -14.093 8.451 -2.029) 16.557 26.347 ( 1.703 -1.351 -6.034) 6.413 26.708 ( -2.581 -1.143 -6.179) 6.793 26.780 ( 0.070 0.069 -11.521) 11.522 26.970 ( 2.225 -8.306 11.544) 14.395 27.042 ( -0.534 -6.947 4.137) 8.103 27.598 ( -0.962 1.632 -3.474) 3.957 27.690 ( -2.850 0.210 2.194) 3.603 27.846 ( 4.496 7.827 7.720) 11.878 28.150 ( -3.097 -1.464 2.098) 4.017 28.328 ( -2.645 4.271 4.238) 6.573 28.703 ( -3.434 -8.549 -8.120) 12.281 28.751 ( 8.917 4.383 -5.937) 11.575 28.901 ( 5.968 -0.599 -4.076) 7.252 29.248 ( -7.913 -0.033 1.301) 8.019 29.276 ( -8.929 -1.728 -2.492) 9.430 29.712 ( -12.689 3.307 2.084) 13.278 29.932 ( -14.562 0.311 -2.416) 14.765 30.113 ( -10.492 -0.947 0.299) 10.539 30.408 ( -5.234 -6.228 -6.058) 10.143 31.682 ( 4.171 -0.482 5.367) 6.815 31.724 ( 5.219 -0.873 2.735) 5.956 32.412 ( 1.839 3.459 5.517) 6.766 32.473 ( 6.250 -0.454 -2.361) 6.696 32.642 ( -4.254 0.729 10.139) 11.020 32.711 ( -0.719 0.753 7.276) 7.350 33.090 ( 9.719 2.464 -5.121) 11.259 33.243 ( 6.311 -4.300 -2.690) 8.096 33.944 ( 3.174 1.788 2.751) 4.565 33.999 ( 6.458 0.494 -3.341) 7.288 34.154 ( -1.938 0.706 2.544) 3.276 34.260 ( 2.627 -0.532 1.953) 3.317 38.113 ( 5.758 0.522 -0.068) 5.782 38.155 ( 6.353 -0.692 -1.973) 6.688 38.462 ( -1.199 -0.032 0.528) 1.310 38.504 ( 1.564 0.882 -0.321) 1.824 38.648 ( 0.331 -6.009 3.597) 7.011 38.815 ( 2.806 -6.180 1.625) 6.979 39.021 ( -3.406 -2.925 1.004) 4.600 39.088 ( -3.469 -1.582 7.074) 8.037 39.304 ( 2.828 6.034 0.812) 6.713 39.361 ( -0.333 11.083 0.316) 11.093 39.508 ( -2.747 5.441 -3.042) 6.812 39.909 ( 0.583 -6.276 1.670) 6.520 40.344 ( -1.516 3.355 11.406) 11.986 40.550 ( 4.089 -3.826 3.641) 6.679 40.878 ( 1.436 -0.242 -0.509) 1.543 40.938 ( -1.262 0.989 -4.161) 4.459 41.042 ( -3.309 -7.059 -7.795) 11.024 41.076 ( 8.258 -6.097 0.891) 10.303 41.519 ( -1.086 5.372 4.468) 7.071 41.729 ( -2.528 -4.909 1.459) 5.711 42.085 ( -7.244 7.551 -9.072) 13.849 42.320 ( -15.238 -1.879 -9.952) 18.297 42.676 ( 18.402 5.887 4.644) 19.871 42.940 ( -0.535 -3.971 4.674) 6.156 ======================= Grid point 101 (56/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 9.361 -10.244 16.736) 21.741 1.672 ( 9.361 10.244 16.736) 21.741 2.104 ( -5.591 -18.219 16.787) 25.397 2.104 ( -5.591 18.219 16.787) 25.397 2.600 ( -4.243 -10.743 -4.538) 12.410 2.600 ( -4.243 10.743 -4.538) 12.410 2.950 ( 0.304 -3.892 -3.350) 5.144 2.950 ( 0.304 3.892 -3.350) 5.144 3.169 ( 3.271 -6.572 13.655) 15.503 3.169 ( 3.271 6.572 13.655) 15.503 3.447 ( 1.068 -2.517 -11.621) 11.938 3.447 ( 1.068 2.517 -11.621) 11.938 3.722 ( 4.734 -4.164 1.721) 6.536 3.722 ( 4.734 4.164 1.721) 6.536 3.983 ( -3.277 -0.988 -6.845) 7.653 3.983 ( -3.277 0.988 -6.845) 7.653 4.353 ( -1.932 -1.996 2.239) 3.568 4.353 ( -1.932 1.996 2.239) 3.568 4.543 ( -3.924 -5.041 2.168) 6.746 4.543 ( -3.924 5.041 2.168) 6.746 4.664 ( -1.624 -5.503 2.208) 6.147 4.664 ( -1.624 5.503 2.208) 6.147 4.993 ( 1.132 -8.426 -0.859) 8.545 4.993 ( 1.132 8.426 -0.859) 8.545 5.280 ( 1.374 -4.394 1.665) 4.896 5.280 ( 1.374 4.394 1.665) 4.896 5.341 ( 3.987 -3.161 -10.072) 11.284 5.341 ( 3.987 3.161 -10.072) 11.284 5.489 ( 0.777 -2.096 1.972) 2.981 5.489 ( 0.777 2.096 1.972) 2.981 5.868 ( 2.656 -3.746 -7.790) 9.043 5.868 ( 2.656 3.746 -7.790) 9.043 6.317 ( -5.072 -3.106 1.212) 6.070 6.317 ( -5.072 3.106 1.212) 6.070 6.551 ( 0.526 -2.761 -5.309) 6.007 6.551 ( 0.526 2.761 -5.309) 6.007 6.875 ( 2.721 -2.335 4.335) 5.626 6.875 ( 2.721 2.335 4.335) 5.626 7.067 ( -1.914 -5.499 -0.211) 5.826 7.067 ( -1.914 5.499 -0.211) 5.826 7.608 ( -3.991 -3.114 4.906) 7.049 7.608 ( -3.991 3.114 4.906) 7.049 7.613 ( 3.686 -5.927 2.993) 7.595 7.613 ( 3.686 5.927 2.993) 7.595 7.913 ( 1.410 -8.025 0.366) 8.157 7.913 ( 1.410 8.025 0.366) 8.157 8.137 ( -1.670 -6.707 -4.364) 8.175 8.137 ( -1.670 6.707 -4.364) 8.175 8.783 ( -1.162 -1.673 2.640) 3.335 8.783 ( -1.162 1.673 2.640) 3.335 8.992 ( -1.289 -0.806 -4.711) 4.951 8.992 ( -1.289 0.806 -4.711) 4.951 9.876 ( 0.864 -5.425 2.394) 5.993 9.876 ( 0.864 5.425 2.394) 5.993 10.146 ( -2.543 -3.777 -5.589) 7.209 10.146 ( -2.543 3.777 -5.589) 7.209 10.603 ( -1.242 -7.100 -0.278) 7.214 10.603 ( -1.242 7.100 -0.278) 7.214 11.189 ( 2.485 -4.816 4.091) 6.790 11.189 ( 2.485 4.816 4.091) 6.790 11.861 ( -4.429 -4.350 2.954) 6.875 11.861 ( -4.429 4.350 2.954) 6.875 11.982 ( 3.535 -1.017 -2.178) 4.275 11.982 ( 3.535 1.017 -2.178) 4.275 12.458 ( -0.994 -5.794 -1.010) 5.964 12.458 ( -0.994 5.794 -1.010) 5.964 12.875 ( -2.326 -4.932 2.076) 5.835 12.875 ( -2.326 4.932 2.076) 5.835 13.117 ( 3.503 -5.574 2.827) 7.164 13.117 ( 3.503 5.574 2.827) 7.164 13.497 ( 6.817 -4.545 7.825) 11.329 13.497 ( 6.817 4.545 7.825) 11.329 13.889 ( -1.390 -11.685 -6.131) 13.269 13.889 ( -1.390 11.685 -6.131) 13.269 14.703 ( -3.203 -3.394 -5.624) 7.308 14.703 ( -3.203 3.394 -5.624) 7.308 15.298 ( -11.995 -4.655 10.867) 16.842 15.298 ( -11.995 4.655 10.867) 16.842 15.662 ( 3.300 -6.863 3.384) 8.333 15.662 ( 3.300 6.863 3.384) 8.333 16.436 ( 0.726 -1.681 -0.458) 1.887 16.436 ( 0.726 1.681 -0.458) 1.887 16.619 ( 0.125 -11.272 -1.859) 11.425 16.619 ( 0.125 11.272 -1.859) 11.425 16.912 ( 12.765 -6.472 -2.984) 14.620 16.912 ( 12.765 6.472 -2.984) 14.620 17.335 ( 0.984 -3.608 5.091) 6.317 17.335 ( 0.984 3.608 5.091) 6.317 17.625 ( -4.003 -4.976 1.756) 6.623 17.625 ( -4.003 4.976 1.756) 6.623 18.022 ( -2.558 -7.177 -5.135) 9.188 18.022 ( -2.558 7.177 -5.135) 9.188 18.465 ( 1.973 -6.935 1.435) 7.351 18.465 ( 1.973 6.935 1.435) 7.351 18.609 ( -5.076 -3.074 -3.887) 7.094 18.609 ( -5.076 3.074 -3.887) 7.094 18.925 ( -0.918 -3.907 -3.611) 5.399 18.925 ( -0.918 3.907 -3.611) 5.399 19.304 ( 1.299 -5.036 -0.245) 5.206 19.304 ( 1.299 5.036 -0.245) 5.206 19.493 ( 0.180 -2.697 3.146) 4.148 19.493 ( 0.180 2.697 3.146) 4.148 19.688 ( 2.299 -0.767 -0.044) 2.424 19.688 ( 2.299 0.767 -0.044) 2.424 19.771 ( -0.539 -5.942 -6.335) 8.702 19.771 ( -0.539 5.942 -6.335) 8.702 20.299 ( -0.412 -1.544 1.463) 2.166 20.299 ( -0.412 1.544 1.463) 2.166 20.722 ( -0.229 -0.489 1.314) 1.421 20.722 ( -0.229 0.489 1.314) 1.421 21.088 ( 0.034 -3.007 -7.116) 7.725 21.088 ( 0.034 3.007 -7.116) 7.725 22.054 ( -0.627 -0.890 1.971) 2.252 22.054 ( -0.627 0.890 1.971) 2.252 22.164 ( 2.169 -0.886 -1.829) 2.972 22.164 ( 2.169 0.886 -1.829) 2.972 23.261 ( 5.079 -2.218 -0.044) 5.542 23.261 ( 5.079 2.218 -0.044) 5.542 23.998 ( 1.328 -3.247 10.766) 11.324 23.998 ( 1.328 3.247 10.766) 11.324 24.150 ( 1.182 -0.565 0.719) 1.494 24.150 ( 1.182 0.565 0.719) 1.494 25.365 ( -8.128 -4.069 -13.358) 16.157 25.365 ( -8.128 4.069 -13.358) 16.157 26.166 ( -5.677 -10.633 0.793) 12.080 26.166 ( -5.677 10.633 0.793) 12.080 26.687 ( 0.176 -3.660 -4.003) 5.427 26.687 ( 0.176 3.660 -4.003) 5.427 26.992 ( 3.309 -2.767 4.669) 6.357 26.992 ( 3.309 2.767 4.669) 6.357 27.564 ( -3.429 -2.386 -1.752) 4.530 27.564 ( -3.429 2.386 -1.752) 4.530 28.085 ( -0.794 -3.181 3.335) 4.677 28.085 ( -0.794 3.181 3.335) 4.677 28.408 ( -0.756 -5.768 0.031) 5.818 28.408 ( -0.756 5.768 0.031) 5.818 29.000 ( 6.282 -1.144 -6.984) 9.463 29.000 ( 6.282 1.144 -6.984) 9.463 29.157 ( 0.719 -1.271 -0.176) 1.471 29.157 ( 0.719 1.271 -0.176) 1.471 29.675 ( -3.295 -6.789 5.388) 9.273 29.675 ( -3.295 6.789 5.388) 9.273 30.142 ( 3.967 -12.114 -8.863) 15.525 30.142 ( 3.967 12.114 -8.863) 15.525 31.729 ( -3.694 -2.975 7.810) 9.137 31.729 ( -3.694 2.975 7.810) 9.137 32.483 ( -2.474 -3.010 -0.232) 3.903 32.483 ( -2.474 3.010 -0.232) 3.903 32.693 ( -0.809 -3.120 9.517) 10.048 32.693 ( -0.809 3.120 9.517) 10.048 33.297 ( 7.641 -1.422 -7.551) 10.836 33.297 ( 7.641 1.422 -7.551) 10.836 34.019 ( -3.185 -0.939 5.580) 6.493 34.019 ( -3.185 0.939 5.580) 6.493 34.260 ( 3.169 -2.824 -1.605) 4.538 34.260 ( 3.169 2.824 -1.605) 4.538 38.239 ( 0.638 -0.667 1.138) 1.465 38.239 ( 0.638 0.667 1.138) 1.465 38.373 ( -2.634 -1.812 -1.577) 3.565 38.373 ( -2.634 1.812 -1.577) 3.565 38.816 ( 3.978 -1.741 2.095) 4.822 38.816 ( 3.978 1.741 2.095) 4.822 38.963 ( -0.952 -3.104 3.057) 4.459 38.963 ( -0.952 3.104 3.057) 4.459 39.446 ( 2.547 -4.152 2.302) 5.387 39.446 ( 2.547 4.152 2.302) 5.387 39.699 ( -2.315 -10.609 -5.261) 12.066 39.699 ( -2.315 10.609 -5.261) 12.066 40.482 ( -0.662 -6.813 10.102) 12.203 40.482 ( -0.662 6.813 10.102) 12.203 40.867 ( -2.087 -2.402 -5.757) 6.578 40.867 ( -2.087 2.402 -5.757) 6.578 41.058 ( 2.401 -6.581 3.249) 7.722 41.058 ( 2.401 6.581 3.249) 7.722 41.555 ( -6.961 -3.108 -0.802) 7.666 41.555 ( -6.961 3.108 -0.802) 7.666 42.087 ( -0.054 -0.589 -3.214) 3.268 42.087 ( -0.054 0.589 -3.214) 3.268 42.959 ( 8.075 -3.837 -1.677) 9.096 42.959 ( 8.075 3.837 -1.677) 9.096 ======================= Grid point 103 (57/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 8.879 -4.699 11.250) 15.082 2.043 ( 8.879 4.699 11.250) 15.082 2.132 ( 9.308 -13.236 9.657) 18.844 2.132 ( 9.308 13.236 9.657) 18.844 2.743 ( 14.689 -4.519 0.939) 15.397 2.743 ( 14.689 4.519 0.939) 15.397 2.971 ( 2.866 -1.045 -1.018) 3.216 2.971 ( 2.866 1.045 -1.018) 3.216 3.349 ( 10.209 -6.318 4.684) 12.887 3.349 ( 10.209 6.318 4.684) 12.887 3.457 ( 3.153 -4.132 -2.794) 5.901 3.457 ( 3.153 4.132 -2.794) 5.901 3.700 ( -1.798 -4.635 -10.364) 11.495 3.700 ( -1.798 4.635 -10.364) 11.495 4.038 ( 9.003 -3.597 -1.048) 9.751 4.038 ( 9.003 3.597 -1.048) 9.751 4.320 ( -4.079 -1.552 3.695) 5.719 4.320 ( -4.079 1.552 3.695) 5.719 4.453 ( -1.645 -2.625 0.495) 3.138 4.453 ( -1.645 2.625 0.495) 3.138 4.726 ( 3.209 -3.204 3.758) 5.890 4.726 ( 3.209 3.204 3.758) 5.890 4.999 ( -0.372 -5.900 3.270) 6.756 4.999 ( -0.372 5.900 3.270) 6.756 5.294 ( 0.208 -4.762 -4.305) 6.423 5.294 ( 0.208 4.762 -4.305) 6.423 5.390 ( 4.764 -3.508 -6.665) 8.912 5.390 ( 4.764 3.508 -6.665) 8.912 5.545 ( 4.876 -2.781 0.597) 5.645 5.545 ( 4.876 2.781 0.597) 5.645 5.863 ( 1.019 -3.987 -9.045) 9.937 5.863 ( 1.019 3.987 -9.045) 9.937 6.224 ( -4.647 -7.533 2.375) 9.164 6.224 ( -4.647 7.533 2.375) 9.164 6.495 ( -3.494 -5.718 -2.754) 7.244 6.495 ( -3.494 5.718 -2.754) 7.244 6.912 ( -3.853 -2.448 5.537) 7.176 6.912 ( -3.853 2.448 5.537) 7.176 7.056 ( 3.172 -6.400 -2.464) 7.556 7.056 ( 3.172 6.400 -2.464) 7.556 7.500 ( -7.484 -3.361 2.554) 8.593 7.500 ( -7.484 3.361 2.554) 8.593 7.654 ( -1.030 -2.854 2.880) 4.184 7.654 ( -1.030 2.854 2.880) 4.184 7.837 ( -4.977 -4.899 -1.521) 7.147 7.837 ( -4.977 4.899 -1.521) 7.147 8.094 ( -2.220 -5.457 -0.150) 5.894 8.094 ( -2.220 5.457 -0.150) 5.894 8.887 ( 8.084 -2.090 4.477) 9.474 8.887 ( 8.084 2.090 4.477) 9.474 9.000 ( 4.197 -1.674 -3.615) 5.786 9.000 ( 4.197 1.674 -3.615) 5.786 9.988 ( 7.762 -4.707 5.492) 10.610 9.988 ( 7.762 4.707 5.492) 10.610 10.126 ( 3.551 -2.403 -6.583) 7.856 10.126 ( 3.551 2.403 -6.583) 7.856 10.602 ( 1.294 -5.457 -0.640) 5.645 10.602 ( 1.294 5.457 -0.640) 5.645 11.237 ( 0.898 -5.487 1.576) 5.779 11.237 ( 0.898 5.487 1.576) 5.779 11.774 ( -5.709 -1.885 2.338) 6.451 11.774 ( -5.709 1.885 2.338) 6.451 12.036 ( 2.698 -3.933 -0.995) 4.872 12.036 ( 2.698 3.933 -0.995) 4.872 12.457 ( 0.716 -2.749 0.447) 2.876 12.457 ( 0.716 2.749 0.447) 2.876 12.831 ( -2.067 -4.807 0.860) 5.302 12.831 ( -2.067 4.807 0.860) 5.302 13.254 ( 7.796 -3.759 3.174) 9.219 13.254 ( 7.796 3.759 3.174) 9.219 13.618 ( 0.941 -2.368 0.448) 2.587 13.618 ( 0.941 2.368 0.448) 2.587 13.819 ( -1.427 -5.653 -3.062) 6.585 13.819 ( -1.427 5.653 -3.062) 6.585 14.615 ( -3.157 -9.116 -2.864) 10.064 14.615 ( -3.157 9.116 -2.864) 10.064 15.069 ( -15.485 -4.994 10.063) 19.131 15.069 ( -15.485 4.994 10.063) 19.131 15.748 ( 0.927 -8.412 5.266) 9.968 15.748 ( 0.927 8.412 5.266) 9.968 16.401 ( -3.936 -2.124 0.494) 4.500 16.401 ( -3.936 2.124 0.494) 4.500 16.574 ( -3.923 -7.489 -3.641) 9.205 16.574 ( -3.923 7.489 -3.641) 9.205 17.013 ( -12.918 -4.496 -0.160) 13.679 17.013 ( -12.918 4.496 -0.160) 13.679 17.253 ( 4.414 -5.224 -6.202) 9.232 17.253 ( 4.414 5.224 -6.202) 9.232 17.585 ( 1.168 -8.280 1.263) 8.457 17.585 ( 1.168 8.280 1.263) 8.457 17.936 ( -2.807 -13.412 0.267) 13.705 17.936 ( -2.807 13.412 0.267) 13.705 18.436 ( -7.241 -7.373 1.901) 10.508 18.436 ( -7.241 7.373 1.901) 10.508 18.637 ( 7.364 -2.456 2.172) 8.061 18.637 ( 7.364 2.456 2.172) 8.061 18.989 ( 6.333 -8.326 -3.537) 11.043 18.989 ( 6.333 8.326 -3.537) 11.043 19.317 ( 0.615 -3.555 -1.927) 4.090 19.317 ( 0.615 3.555 -1.927) 4.090 19.511 ( 1.268 -1.589 1.189) 2.356 19.511 ( 1.268 1.589 1.189) 2.356 19.733 ( 0.302 -0.451 -0.494) 0.734 19.733 ( 0.302 0.451 -0.494) 0.734 19.752 ( 4.067 -5.476 -5.333) 8.658 19.752 ( 4.067 5.476 -5.333) 8.658 20.233 ( -6.700 -2.395 1.173) 7.211 20.233 ( -6.700 2.395 1.173) 7.211 20.745 ( 2.397 -1.834 0.904) 3.151 20.745 ( 2.397 1.834 0.904) 3.151 21.049 ( -0.534 -8.289 -5.687) 10.066 21.049 ( -0.534 8.289 -5.687) 10.066 22.042 ( -1.475 -2.393 1.162) 3.042 22.042 ( -1.475 2.393 1.162) 3.042 22.188 ( 0.799 -2.498 -1.462) 3.003 22.188 ( 0.799 2.498 -1.462) 3.003 23.078 ( -18.386 -0.536 -3.291) 18.686 23.078 ( -18.386 0.536 -3.291) 18.686 23.806 ( -20.655 -2.211 5.485) 21.485 23.806 ( -20.655 2.211 5.485) 21.485 24.392 ( 16.904 -1.104 0.237) 16.941 24.392 ( 16.904 1.104 0.237) 16.941 25.410 ( 13.813 -6.525 -2.191) 15.433 25.410 ( 13.813 6.525 -2.191) 15.433 26.092 ( -1.756 -9.487 2.867) 10.065 26.092 ( -1.756 9.487 2.867) 10.065 26.684 ( 1.018 -2.810 -1.938) 3.562 26.684 ( 1.018 2.810 -1.938) 3.562 27.076 ( 3.659 -6.447 1.011) 7.481 27.076 ( 3.659 6.447 1.011) 7.481 27.522 ( -0.909 -4.013 2.180) 4.657 27.522 ( -0.909 4.013 2.180) 4.657 28.099 ( 0.916 -2.913 2.951) 4.247 28.099 ( 0.916 2.913 2.951) 4.247 28.422 ( 0.795 -3.315 1.302) 3.649 28.422 ( 0.795 3.315 1.302) 3.649 28.971 ( -1.001 -4.810 -10.377) 11.481 28.971 ( -1.001 4.810 -10.377) 11.481 29.287 ( 9.575 -1.415 -0.802) 9.712 29.287 ( 9.575 1.415 -0.802) 9.712 29.756 ( 7.756 -4.423 6.881) 11.273 29.756 ( 7.756 4.423 6.881) 11.273 30.278 ( 14.811 -14.587 -11.835) 23.921 30.278 ( 14.811 14.587 -11.835) 23.921 31.653 ( -8.621 -5.111 10.424) 14.461 31.653 ( -8.621 5.111 10.424) 14.461 32.340 ( -11.845 -4.452 0.320) 12.658 32.340 ( -11.845 4.452 0.320) 12.658 32.771 ( 4.228 -2.738 6.223) 8.006 32.771 ( 4.228 2.738 6.223) 8.006 33.361 ( 3.184 -1.792 -9.247) 9.942 33.361 ( 3.184 1.792 -9.247) 9.942 33.919 ( -9.100 -3.367 5.546) 11.176 33.919 ( -9.100 3.367 5.546) 11.176 34.295 ( 1.022 -2.441 -3.104) 4.079 34.295 ( 1.022 2.441 -3.104) 4.079 38.121 ( -7.701 -1.858 -0.022) 7.922 38.121 ( -7.701 1.858 -0.022) 7.922 38.430 ( 3.836 -2.143 1.175) 4.548 38.430 ( 3.836 2.143 1.175) 4.548 38.787 ( -4.632 -4.543 -1.139) 6.587 38.787 ( -4.632 4.543 -1.139) 6.587 39.070 ( 6.789 -5.292 4.323) 9.632 39.070 ( 6.789 5.292 4.323) 9.632 39.517 ( -1.320 -6.954 3.884) 8.074 39.517 ( -1.320 6.954 3.884) 8.074 39.563 ( -3.393 -8.080 -7.178) 11.328 39.563 ( -3.393 8.080 -7.178) 11.328 40.535 ( 0.755 -7.084 8.381) 11.000 40.535 ( 0.755 7.084 8.381) 11.000 40.799 ( -2.888 -0.593 -3.102) 4.280 40.799 ( -2.888 0.593 -3.102) 4.280 41.083 ( -0.623 -5.023 1.052) 5.169 41.083 ( -0.623 5.023 1.052) 5.169 41.451 ( -2.663 -1.665 4.007) 5.092 41.451 ( -2.663 1.665 4.007) 5.092 42.119 ( 3.419 -1.972 -2.571) 4.710 42.119 ( 3.419 1.972 -2.571) 4.710 43.089 ( 7.268 -12.098 -7.473) 15.969 43.089 ( 7.268 12.098 -7.473) 15.969 ======================= Grid point 105 (58/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 6.291 -4.812 8.501) 11.619 2.217 ( 6.291 4.812 8.501) 11.619 2.437 ( 12.824 -3.912 7.112) 15.176 2.437 ( 12.824 3.912 7.112) 15.176 2.910 ( 5.143 -8.813 -6.657) 12.184 2.910 ( 5.143 8.813 -6.657) 12.184 3.066 ( 4.898 -3.190 4.593) 7.434 3.066 ( 4.898 3.190 4.593) 7.434 3.378 ( -2.592 -4.091 -7.736) 9.127 3.378 ( -2.592 4.091 -7.736) 9.127 3.517 ( -0.226 -6.457 -1.235) 6.578 3.517 ( -0.226 6.457 -1.235) 6.578 3.819 ( 12.130 -4.893 -1.998) 13.231 3.819 ( 12.130 4.893 -1.998) 13.231 4.106 ( -3.424 -3.903 2.572) 5.794 4.106 ( -3.424 3.903 2.572) 5.794 4.282 ( 2.411 -4.437 -1.620) 5.303 4.282 ( 2.411 4.437 -1.620) 5.303 4.532 ( 3.785 -2.424 3.071) 5.444 4.532 ( 3.785 2.424 3.071) 5.444 4.795 ( 3.855 -3.742 -1.277) 5.523 4.795 ( 3.855 3.742 -1.277) 5.523 5.071 ( 7.111 -4.414 7.372) 11.154 5.071 ( 7.111 4.414 7.372) 11.154 5.257 ( -1.568 -6.781 -2.480) 7.388 5.257 ( -1.568 6.781 -2.480) 7.388 5.438 ( 2.050 -3.593 -3.157) 5.203 5.438 ( 2.050 3.593 -3.157) 5.203 5.651 ( 5.078 -1.394 -3.978) 6.599 5.651 ( 5.078 1.394 -3.978) 6.599 5.844 ( 4.610 -3.846 -8.990) 10.811 5.844 ( 4.610 3.846 -8.990) 10.811 6.180 ( -1.471 -6.825 1.437) 7.128 6.180 ( -1.471 6.825 1.437) 7.128 6.401 ( -5.195 -6.426 2.375) 8.597 6.401 ( -5.195 6.426 2.375) 8.597 6.823 ( -6.287 -2.259 2.349) 7.081 6.823 ( -6.287 2.259 2.349) 7.081 7.080 ( -1.440 -2.921 0.348) 3.275 7.080 ( -1.440 2.921 0.348) 3.275 7.441 ( 1.359 -3.764 0.482) 4.031 7.441 ( 1.359 3.764 0.482) 4.031 7.627 ( -2.926 -2.475 2.983) 4.856 7.627 ( -2.926 2.475 2.983) 4.856 7.806 ( 3.409 -3.898 -3.430) 6.211 7.806 ( 3.409 3.898 -3.430) 6.211 8.060 ( 0.111 -5.196 1.863) 5.521 8.060 ( 0.111 5.196 1.863) 5.521 9.020 ( 3.843 -2.810 2.187) 5.240 9.020 ( 3.843 2.810 2.187) 5.240 9.155 ( 10.672 -5.881 1.591) 12.289 9.155 ( 10.672 5.881 1.591) 12.289 10.157 ( 6.181 -5.740 -1.939) 8.655 10.157 ( 6.181 5.740 -1.939) 8.655 10.234 ( 9.932 -4.686 1.567) 11.093 10.234 ( 9.932 4.686 1.567) 11.093 10.637 ( 2.292 -5.266 -0.831) 5.803 10.637 ( 2.292 5.266 -0.831) 5.803 11.241 ( -0.336 -6.469 -1.852) 6.738 11.241 ( -0.336 6.469 -1.852) 6.738 11.671 ( -6.142 -2.043 3.032) 7.148 11.671 ( -6.142 2.043 3.032) 7.148 12.085 ( 3.156 -5.533 -0.636) 6.402 12.085 ( 3.156 5.533 -0.636) 6.402 12.469 ( -0.556 -2.115 1.734) 2.791 12.469 ( -0.556 2.115 1.734) 2.791 12.820 ( 0.781 -3.295 -0.717) 3.461 12.820 ( 0.781 3.295 -0.717) 3.461 13.349 ( -3.232 -3.972 -2.751) 5.813 13.349 ( -3.232 3.972 -2.751) 5.813 13.549 ( -1.997 -8.190 -0.396) 8.439 13.549 ( -1.997 8.190 -0.396) 8.439 13.857 ( 3.381 -5.364 4.385) 7.709 13.857 ( 3.381 5.364 4.385) 7.709 14.544 ( -2.881 -12.152 -2.620) 12.761 14.544 ( -2.881 12.152 -2.620) 12.761 14.846 ( -10.781 -4.304 6.124) 13.124 14.846 ( -10.781 4.304 6.124) 13.124 15.663 ( -15.491 -4.671 8.483) 18.269 15.663 ( -15.491 4.671 8.483) 18.269 16.286 ( -11.206 -6.411 -0.873) 12.940 16.286 ( -11.206 6.411 -0.873) 12.940 16.363 ( -8.494 -3.833 -1.437) 9.428 16.363 ( -8.494 3.833 -1.437) 9.428 16.797 ( -2.792 -4.385 -6.155) 8.057 16.797 ( -2.792 4.385 -6.155) 8.057 17.337 ( 0.796 -2.473 -0.752) 2.704 17.337 ( 0.796 2.473 -0.752) 2.704 17.667 ( 10.883 -8.947 -9.015) 16.726 17.667 ( 10.883 8.947 -9.015) 16.726 17.987 ( 6.568 -15.689 4.881) 17.695 17.987 ( 6.568 15.689 4.881) 17.695 18.239 ( -15.269 -8.551 10.470) 20.393 18.239 ( -15.269 8.551 10.470) 20.393 18.830 ( 9.589 -1.955 3.564) 10.415 18.830 ( 9.589 1.955 3.564) 10.415 19.028 ( -0.250 -7.002 -6.562) 9.599 19.028 ( -0.250 7.002 -6.562) 9.599 19.334 ( 2.105 -1.091 -1.459) 2.784 19.334 ( 2.105 1.091 -1.459) 2.784 19.562 ( 4.085 -2.169 -1.438) 4.843 19.562 ( 4.085 2.169 -1.438) 4.843 19.729 ( 0.473 -2.768 -2.557) 3.798 19.729 ( 0.473 2.768 -2.557) 3.798 19.821 ( 3.659 -1.978 -2.483) 4.844 19.821 ( 3.659 1.978 -2.483) 4.844 20.100 ( -6.089 -1.226 1.409) 6.369 20.100 ( -6.089 1.226 1.409) 6.369 20.825 ( 4.883 -2.921 -1.023) 5.782 20.825 ( 4.883 2.921 -1.023) 5.782 20.992 ( -2.194 -9.036 -5.217) 10.662 20.992 ( -2.194 9.036 -5.217) 10.662 22.009 ( -2.265 -3.415 0.326) 4.111 22.009 ( -2.265 3.415 0.326) 4.111 22.167 ( -2.979 -3.168 -0.048) 4.349 22.167 ( -2.979 3.168 -0.048) 4.349 22.676 ( -18.531 -2.349 -3.598) 19.022 22.676 ( -18.531 2.349 -3.598) 19.022 23.380 ( -21.871 -4.102 -0.461) 22.257 23.380 ( -21.871 4.102 -0.461) 22.257 24.704 ( 14.153 -0.577 -1.532) 14.247 24.704 ( 14.153 0.577 -1.532) 14.247 25.693 ( 9.482 -4.164 10.626) 14.837 25.693 ( 9.482 4.164 10.626) 14.837 26.148 ( 5.973 -2.798 3.852) 7.638 26.148 ( 5.973 2.798 3.852) 7.638 26.712 ( 2.940 -2.604 -1.269) 4.128 26.712 ( 2.940 2.604 -1.269) 4.128 27.139 ( 3.586 -11.232 -3.932) 12.428 27.139 ( 3.586 11.232 -3.932) 12.428 27.540 ( 0.211 -5.280 4.272) 6.795 27.540 ( 0.211 5.280 4.272) 6.795 28.146 ( 1.935 -2.815 3.464) 4.865 28.146 ( 1.935 2.815 3.464) 4.865 28.422 ( -1.990 -4.193 1.623) 4.917 28.422 ( -1.990 4.193 1.623) 4.917 28.926 ( 2.889 -5.393 -11.403) 12.940 28.926 ( 2.889 5.393 -11.403) 12.940 29.465 ( 8.685 -1.621 -0.210) 8.837 29.465 ( 8.685 1.621 -0.210) 8.837 30.017 ( 14.252 -1.521 6.618) 15.788 30.017 ( 14.252 1.521 6.618) 15.788 30.565 ( 20.545 -13.462 -11.517) 27.129 30.565 ( 20.545 13.462 -11.517) 27.129 31.512 ( -11.499 -5.931 10.508) 16.668 31.512 ( -11.499 5.931 10.508) 16.668 32.059 ( -16.525 -3.366 0.331) 16.868 32.059 ( -16.525 3.366 0.331) 16.868 32.891 ( 4.581 -2.198 3.833) 6.365 32.891 ( 4.581 2.198 3.833) 6.365 33.314 ( -3.291 -3.617 -8.586) 9.881 33.314 ( -3.291 3.617 -8.586) 9.881 33.782 ( -5.790 -5.485 2.974) 8.512 33.782 ( -5.790 5.485 2.974) 8.512 34.258 ( -2.981 -4.612 -2.755) 6.144 34.258 ( -2.981 4.612 -2.755) 6.144 38.012 ( -3.158 -1.444 0.013) 3.473 38.012 ( -3.158 1.444 0.013) 3.473 38.467 ( -1.456 -1.460 1.372) 2.477 38.467 ( -1.456 1.460 1.372) 2.477 38.679 ( -4.584 -5.515 -2.818) 7.705 38.679 ( -4.584 5.515 -2.818) 7.705 39.201 ( 2.201 -4.440 6.532) 8.200 39.201 ( 2.201 4.440 6.532) 8.200 39.335 ( -7.241 -3.387 -2.865) 8.492 39.335 ( -7.241 3.387 -2.865) 8.492 39.652 ( 6.127 -5.264 1.144) 8.159 39.652 ( 6.127 5.264 1.144) 8.159 40.560 ( -2.036 -6.523 -0.378) 6.844 40.560 ( -2.036 6.523 -0.378) 6.844 40.722 ( -3.953 -2.676 3.010) 5.643 40.722 ( -3.953 2.676 3.010) 5.643 41.069 ( 0.896 -2.394 -3.193) 4.090 41.069 ( 0.896 2.394 -3.193) 4.090 41.499 ( 2.138 -2.681 10.093) 10.660 41.499 ( 2.138 2.681 10.093) 10.660 42.172 ( 3.223 -0.307 -1.293) 3.486 42.172 ( 3.223 0.307 -1.293) 3.486 43.157 ( 5.069 -14.727 -12.162) 19.761 43.157 ( 5.069 14.727 -12.162) 19.761 ======================= Grid point 107 (59/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 1.173 -4.958 -1.802) 5.404 2.317 ( 1.173 4.958 -1.802) 5.404 2.660 ( 6.626 -2.718 6.234) 9.495 2.660 ( 6.626 2.718 6.234) 9.495 2.966 ( 2.778 -9.231 -2.735) 10.020 2.966 ( 2.778 9.231 -2.735) 10.020 3.135 ( -0.929 -6.318 4.971) 8.093 3.135 ( -0.929 6.318 4.971) 8.093 3.285 ( -3.030 -6.195 -5.471) 8.803 3.285 ( -3.030 6.195 -5.471) 8.803 3.529 ( 3.703 -5.014 -2.720) 6.801 3.529 ( 3.703 5.014 -2.720) 6.801 3.907 ( 0.571 -7.236 -1.137) 7.347 3.907 ( 0.571 7.236 -1.137) 7.347 4.085 ( -0.593 -1.210 4.957) 5.137 4.085 ( -0.593 1.210 4.957) 5.137 4.346 ( 2.631 -5.588 1.763) 6.423 4.346 ( 2.631 5.588 1.763) 6.423 4.534 ( -0.080 -3.852 -2.032) 4.356 4.534 ( -0.080 3.852 -2.032) 4.356 4.850 ( 2.528 -4.890 -2.960) 6.250 4.850 ( 2.528 4.890 -2.960) 6.250 5.154 ( -6.192 -3.423 5.199) 8.780 5.154 ( -6.192 3.423 5.199) 8.780 5.327 ( 5.188 -8.068 -1.199) 9.667 5.327 ( 5.188 8.068 -1.199) 9.667 5.448 ( 3.917 -1.954 1.549) 4.644 5.448 ( 3.917 1.954 1.549) 4.644 5.674 ( 0.694 -1.987 -6.352) 6.692 5.674 ( 0.694 1.987 -6.352) 6.692 5.944 ( 7.344 -2.853 -11.190) 13.685 5.944 ( 7.344 2.853 -11.190) 13.685 6.161 ( -0.786 -1.595 2.254) 2.871 6.161 ( -0.786 1.595 2.254) 2.871 6.387 ( 2.567 -2.922 6.301) 7.405 6.387 ( 2.567 2.922 6.301) 7.405 6.723 ( -3.605 -7.118 -1.049) 8.048 6.723 ( -3.605 7.118 -1.049) 8.048 7.065 ( 0.529 -3.883 0.969) 4.036 7.065 ( 0.529 3.883 0.969) 4.036 7.460 ( -0.995 -6.363 1.437) 6.598 7.460 ( -0.995 6.363 1.437) 6.598 7.593 ( -2.980 -4.073 2.734) 5.739 7.593 ( -2.980 4.073 2.734) 5.739 7.839 ( -1.784 -6.738 5.102) 8.638 7.839 ( -1.784 6.738 5.102) 8.638 8.192 ( 13.023 -5.168 -6.107) 15.284 8.192 ( 13.023 5.168 -6.107) 15.284 9.112 ( 4.489 -2.384 1.908) 5.429 9.112 ( 4.489 2.384 1.908) 5.429 9.336 ( 6.514 -4.691 0.973) 8.086 9.336 ( 6.514 4.691 0.973) 8.086 10.253 ( 5.281 -6.874 -2.446) 9.006 10.253 ( 5.281 6.874 -2.446) 9.006 10.443 ( 9.284 -7.515 1.239) 12.008 10.443 ( 9.284 7.515 1.239) 12.008 10.653 ( -0.836 -5.382 0.465) 5.466 10.653 ( -0.836 5.382 0.465) 5.466 11.210 ( -1.525 -6.888 -3.873) 8.048 11.210 ( -1.525 6.888 -3.873) 8.048 11.590 ( -3.245 -4.254 5.381) 7.588 11.590 ( -3.245 4.254 5.381) 7.588 12.156 ( 4.174 -3.933 -0.628) 5.769 12.156 ( 4.174 3.934 -0.628) 5.769 12.457 ( -1.039 -1.609 1.191) 2.255 12.457 ( -1.039 1.609 1.191) 2.255 12.792 ( -6.138 -1.061 -2.552) 6.731 12.792 ( -6.138 1.061 -2.552) 6.731 13.198 ( -2.082 -6.065 -5.613) 8.522 13.198 ( -2.082 6.065 -5.613) 8.522 13.499 ( -8.540 -2.496 6.755) 11.171 13.499 ( -8.540 2.496 6.755) 11.171 13.963 ( 4.877 -6.616 5.117) 9.682 13.963 ( 4.877 6.616 5.117) 9.682 14.486 ( -1.771 -9.564 -4.746) 10.822 14.486 ( -1.771 9.564 -4.746) 10.822 14.758 ( 1.066 -3.317 0.497) 3.519 14.758 ( 1.066 3.317 0.497) 3.519 15.291 ( -23.838 -0.446 11.626) 26.526 15.291 ( -23.838 0.446 11.626) 26.526 16.103 ( -4.227 -5.266 -3.566) 7.636 16.103 ( -4.227 5.266 -3.566) 7.636 16.262 ( -3.381 -3.114 -1.982) 5.006 16.262 ( -3.381 3.114 -1.982) 5.006 16.742 ( -0.324 -6.359 -7.624) 9.933 16.742 ( -0.324 6.359 -7.624) 9.933 17.306 ( -3.055 -0.265 3.464) 4.626 17.306 ( -3.055 0.265 3.464) 4.626 17.864 ( 1.907 -3.930 2.452) 5.010 17.864 ( 1.907 3.930 2.452) 5.010 18.001 ( -1.295 -2.666 2.722) 4.024 18.001 ( -1.295 2.666 2.722) 4.024 18.230 ( 11.456 -12.434 4.335) 17.454 18.230 ( 11.456 12.434 4.335) 17.454 18.863 ( -7.086 -1.005 -1.969) 7.423 18.863 ( -7.086 1.005 -1.969) 7.423 19.087 ( 9.653 -5.807 -1.934) 11.430 19.087 ( 9.653 5.807 -1.934) 11.430 19.352 ( -0.719 -2.372 0.638) 2.559 19.352 ( -0.719 2.372 0.638) 2.559 19.626 ( 1.981 -3.359 -2.081) 4.420 19.626 ( 1.981 3.359 -2.081) 4.420 19.724 ( 1.391 -4.848 -3.511) 6.145 19.724 ( 1.391 4.848 -3.511) 6.145 19.857 ( 2.296 -1.317 -3.554) 4.431 19.857 ( 2.296 1.317 -3.554) 4.431 20.040 ( -1.589 -4.550 1.315) 4.996 20.040 ( -1.589 4.550 1.315) 4.996 20.796 ( -5.988 -3.840 -4.998) 8.694 20.796 ( -5.988 3.840 -4.998) 8.694 21.019 ( 7.387 -6.218 -3.603) 10.306 21.019 ( 7.387 6.218 -3.603) 10.306 21.973 ( -1.120 -3.390 0.418) 3.594 21.973 ( -1.120 3.390 0.418) 3.594 22.057 ( -8.629 -5.802 2.753) 10.756 22.057 ( -8.629 5.802 2.753) 10.756 22.388 ( -9.031 -4.894 -2.958) 10.689 22.388 ( -9.031 4.894 -2.958) 10.689 23.023 ( -12.630 -7.093 -3.610) 14.929 23.023 ( -12.630 7.093 -3.610) 14.929 24.903 ( 7.114 -1.691 -1.853) 7.543 24.903 ( 7.114 1.691 -1.853) 7.543 25.839 ( 0.170 -5.968 13.334) 14.609 25.839 ( 0.170 5.968 13.334) 14.609 26.349 ( 10.563 -3.074 5.556) 12.324 26.349 ( 10.563 3.074 5.556) 12.324 26.780 ( 4.113 -3.328 -0.475) 5.312 26.780 ( 4.113 3.328 -0.475) 5.312 27.181 ( 3.317 -13.213 -4.166) 14.246 27.181 ( 3.317 13.213 -4.166) 14.246 27.532 ( -3.136 -5.351 0.469) 6.219 27.532 ( -3.136 5.351 0.469) 6.219 28.177 ( -3.738 -3.728 7.467) 9.144 28.177 ( -3.738 3.728 7.467) 9.144 28.401 ( 2.560 -6.285 -2.821) 7.349 28.401 ( 2.560 6.285 -2.821) 7.349 28.955 ( 4.599 -3.151 -8.682) 10.318 28.955 ( 4.599 3.151 -8.682) 10.318 29.607 ( 5.246 -1.306 0.806) 5.466 29.607 ( 5.246 1.306 0.806) 5.466 30.337 ( 14.651 -3.996 6.051) 16.347 30.337 ( 14.651 3.996 6.051) 16.347 30.922 ( 19.918 -10.728 -9.687) 24.610 30.922 ( 19.918 10.728 -9.687) 24.610 31.321 ( -13.178 -4.000 8.730) 16.306 31.321 ( -13.178 4.000 8.730) 16.306 31.743 ( -14.092 -0.544 -0.496) 14.111 31.743 ( -14.092 0.544 -0.496) 14.111 32.961 ( -0.057 -0.785 3.456) 3.545 32.961 ( -0.057 0.785 3.456) 3.545 33.171 ( -5.977 -2.548 -6.150) 8.946 33.171 ( -5.977 2.548 -6.150) 8.946 33.749 ( 0.933 -2.990 1.135) 3.332 33.749 ( 0.933 2.990 1.135) 3.332 34.168 ( -4.107 -5.101 -3.019) 7.211 34.168 ( -4.107 5.101 -3.019) 7.211 38.002 ( 1.872 -1.285 0.311) 2.292 38.002 ( 1.872 1.285 0.311) 2.292 38.378 ( -6.907 -2.992 -0.934) 7.585 38.378 ( -6.907 2.992 -0.934) 7.585 38.602 ( -2.298 -6.550 -2.113) 7.256 38.602 ( -2.298 6.550 -2.113) 7.256 39.136 ( -5.601 -6.950 0.641) 8.949 39.136 ( -5.601 6.950 0.641) 8.949 39.353 ( 2.997 -6.958 7.490) 10.653 39.353 ( 2.997 6.958 7.490) 10.653 39.773 ( 5.557 -5.467 0.244) 7.799 39.773 ( 5.557 5.467 0.244) 7.799 40.441 ( -7.009 -3.431 -4.216) 8.870 40.441 ( -7.009 3.431 -4.216) 8.870 40.698 ( -1.015 -5.598 2.142) 6.079 40.698 ( -1.015 5.598 2.142) 6.079 41.102 ( 3.381 -3.429 -1.391) 5.012 41.102 ( 3.381 3.429 -1.391) 5.012 41.573 ( -0.330 -6.701 7.692) 10.207 41.573 ( -0.330 6.701 7.692) 10.207 42.246 ( 3.833 -7.368 4.294) 9.350 42.246 ( 3.833 7.368 4.294) 9.350 43.160 ( 2.688 -13.830 -15.584) 21.008 43.160 ( 2.688 13.830 -15.584) 21.008 ======================= Grid point 109 (60/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -4.513 -2.845 -5.019) 7.325 2.255 ( -4.513 2.845 -5.019) 7.325 2.767 ( 1.417 -2.528 2.027) 3.536 2.767 ( 1.417 2.528 2.027) 3.536 2.904 ( -6.978 -6.536 -2.103) 9.790 2.904 ( -6.978 6.536 -2.103) 9.790 3.143 ( 0.569 -0.884 2.743) 2.937 3.143 ( 0.569 0.884 2.743) 2.937 3.290 ( 4.201 -4.562 5.493) 8.285 3.290 ( 4.201 4.562 5.493) 8.285 3.575 ( 1.442 -3.172 -1.709) 3.881 3.575 ( 1.442 3.172 -1.709) 3.881 3.875 ( -3.158 -4.601 -4.197) 6.982 3.875 ( -3.158 4.601 -4.197) 6.982 4.085 ( -2.322 -4.084 3.696) 5.977 4.085 ( -2.322 4.084 3.696) 5.977 4.420 ( 2.104 -5.775 7.276) 9.525 4.420 ( 2.104 5.775 7.276) 9.525 4.591 ( 8.348 -2.933 -7.131) 11.365 4.591 ( 8.348 2.933 -7.131) 11.365 4.855 ( -2.683 -7.121 4.180) 8.682 4.855 ( -2.683 7.121 4.180) 8.682 5.050 ( -5.365 -5.148 3.454) 8.198 5.050 ( -5.365 5.148 3.454) 8.198 5.292 ( -2.757 -1.851 -3.809) 5.053 5.292 ( -2.757 1.851 -3.809) 5.053 5.508 ( 1.010 -3.266 -7.702) 8.427 5.508 ( 1.010 3.266 -7.702) 8.427 5.707 ( 4.870 -4.143 -1.705) 6.617 5.707 ( 4.870 4.143 -1.705) 6.617 5.960 ( 0.279 -3.857 -9.053) 9.844 5.960 ( 0.279 3.857 -9.053) 9.844 6.172 ( -0.413 -1.052 4.400) 4.542 6.172 ( -0.413 1.052 4.400) 4.542 6.528 ( 6.633 -5.684 5.219) 10.176 6.528 ( 6.633 5.684 5.219) 10.176 6.684 ( 1.577 -5.231 -4.973) 7.388 6.684 ( 1.577 5.231 -4.973) 7.388 7.107 ( 3.057 -2.130 -0.541) 3.765 7.107 ( 3.057 2.130 -0.541) 3.765 7.425 ( -4.437 -1.326 2.335) 5.186 7.425 ( -4.437 1.326 2.335) 5.186 7.512 ( -7.144 -3.707 8.139) 11.447 7.512 ( -7.144 3.707 8.139) 11.447 7.799 ( -5.209 -6.216 6.275) 10.254 7.799 ( -5.209 6.216 6.275) 10.254 8.355 ( 4.845 -6.455 -8.028) 11.383 8.355 ( 4.845 6.455 -8.028) 11.383 9.175 ( 0.333 -2.014 0.153) 2.047 9.175 ( 0.333 2.014 0.153) 2.047 9.418 ( 1.867 -4.260 -0.654) 4.697 9.418 ( 1.867 4.260 -0.654) 4.697 10.312 ( 0.306 -2.965 0.815) 3.090 10.312 ( 0.306 2.965 0.815) 3.090 10.475 ( -2.642 -1.889 -5.992) 6.816 10.475 ( -2.642 1.889 -5.992) 6.816 10.757 ( 8.845 -7.575 7.633) 13.924 10.757 ( 8.845 7.575 7.633) 13.924 11.114 ( -5.179 -5.627 -6.230) 9.864 11.114 ( -5.179 5.627 -6.230) 9.864 11.628 ( 2.757 -3.491 5.928) 7.411 11.628 ( 2.757 3.491 5.928) 7.411 12.212 ( 1.039 -1.119 -1.048) 1.852 12.212 ( 1.039 1.119 -1.048) 1.852 12.409 ( -8.034 -1.065 2.279) 8.419 12.409 ( -8.034 1.065 2.279) 8.419 12.625 ( -1.581 -4.517 -1.874) 5.139 12.625 ( -1.581 4.517 -1.874) 5.139 13.235 ( -3.169 -1.747 -0.381) 3.638 13.235 ( -3.169 1.747 -0.381) 3.638 13.388 ( 5.517 -2.027 -0.293) 5.885 13.388 ( 5.517 2.027 -0.293) 5.885 14.089 ( 4.003 -4.174 5.005) 7.649 14.089 ( 4.003 4.174 5.005) 7.649 14.385 ( -5.128 -8.418 -2.879) 10.269 14.385 ( -5.128 8.418 -2.879) 10.269 14.837 ( 0.587 -4.697 -0.517) 4.762 14.837 ( 0.587 4.697 -0.517) 4.762 15.044 ( -0.835 -5.943 10.021) 11.681 15.044 ( -0.835 5.943 10.021) 11.681 16.062 ( 0.567 -3.117 -0.868) 3.285 16.062 ( 0.567 3.117 -0.868) 3.285 16.229 ( 3.286 -2.932 -6.359) 7.735 16.229 ( 3.286 2.932 -6.359) 7.735 16.692 ( -1.309 -5.498 -5.608) 7.962 16.692 ( -1.309 5.498 -5.608) 7.962 17.267 ( -3.520 -1.045 4.801) 6.044 17.267 ( -3.520 1.045 4.801) 6.044 17.678 ( -14.636 -5.200 11.408) 19.272 17.678 ( -14.636 5.200 11.408) 19.272 18.247 ( 17.283 -4.968 -8.377) 19.838 18.247 ( 17.283 4.968 -8.377) 19.838 18.390 ( -2.836 -5.233 8.632) 10.486 18.390 ( -2.836 5.233 8.632) 10.486 18.769 ( 3.047 -8.025 -2.897) 9.059 18.769 ( 3.047 8.025 -2.897) 9.059 19.198 ( 0.253 -5.476 -2.228) 5.917 19.198 ( 0.253 5.476 -2.228) 5.917 19.316 ( -0.860 -2.477 -0.190) 2.629 19.316 ( -0.860 2.477 -0.190) 2.629 19.640 ( 1.026 -2.848 -1.632) 3.440 19.640 ( 1.026 2.848 -1.632) 3.440 19.755 ( 3.142 -4.374 -2.637) 5.997 19.755 ( 3.142 4.374 -2.637) 5.997 19.853 ( -0.978 -1.775 -4.860) 5.265 19.853 ( -0.978 1.775 -4.860) 5.265 20.023 ( -0.644 -4.059 -0.594) 4.153 20.023 ( -0.644 4.059 -0.594) 4.153 20.676 ( -2.634 -2.784 -2.335) 4.488 20.676 ( -2.634 2.784 -2.335) 4.488 21.133 ( 5.928 -6.762 -7.494) 11.706 21.133 ( 5.928 6.762 -7.494) 11.706 21.910 ( -5.563 -4.219 5.995) 9.203 21.910 ( -5.563 4.219 5.995) 9.203 22.007 ( 3.297 -0.541 0.906) 3.462 22.007 ( 3.297 0.541 0.906) 3.462 22.260 ( -3.694 -2.494 -1.621) 4.743 22.260 ( -3.694 2.494 -1.621) 4.743 22.871 ( -0.922 -6.719 -4.227) 7.991 22.871 ( -0.922 6.719 -4.227) 7.991 24.958 ( -0.501 -2.521 -1.645) 3.052 24.958 ( -0.501 2.521 -1.645) 3.052 25.902 ( 0.504 -10.144 12.100) 15.798 25.902 ( 0.504 10.144 12.100) 15.798 26.552 ( 6.598 -2.933 5.145) 8.866 26.552 ( 6.598 2.933 5.145) 8.866 26.835 ( 0.812 -4.553 -1.715) 4.933 26.835 ( 0.812 4.553 -1.715) 4.933 27.242 ( 4.454 -11.132 -1.313) 12.061 27.242 ( 4.454 11.132 -1.313) 12.061 27.424 ( -5.644 -3.107 -4.681) 7.964 27.424 ( -5.644 3.107 -4.681) 7.964 28.078 ( -9.775 -4.615 10.969) 15.400 28.078 ( -9.775 4.615 10.969) 15.400 28.491 ( 6.936 -4.213 -5.064) 9.566 28.491 ( 6.936 4.213 -5.064) 9.566 28.973 ( 0.532 -0.524 -6.508) 6.551 28.973 ( 0.532 0.524 -6.508) 6.551 29.663 ( -0.126 -1.465 1.256) 1.934 29.663 ( -0.126 1.465 1.256) 1.934 30.628 ( 10.265 -4.748 8.126) 13.926 30.628 ( 10.265 4.748 8.126) 13.926 30.959 ( -14.832 -0.535 -4.377) 15.474 30.959 ( -14.832 0.535 -4.377) 15.474 31.216 ( -0.438 -3.563 0.473) 3.621 31.216 ( -0.438 3.563 0.473) 3.621 31.666 ( 10.848 -2.310 -2.882) 11.459 31.666 ( 10.848 2.310 -2.882) 11.459 32.910 ( -6.930 -0.292 5.493) 8.848 32.910 ( -6.930 0.292 5.493) 8.848 33.066 ( -2.124 -1.966 -3.888) 4.847 33.066 ( -2.124 1.966 -3.888) 4.847 33.798 ( 2.854 -1.393 0.366) 3.197 33.798 ( 2.854 1.393 0.366) 3.197 34.095 ( -1.049 -5.020 -3.156) 6.022 34.095 ( -1.049 5.020 -3.156) 6.022 38.074 ( 4.394 -2.081 -0.141) 4.864 38.074 ( 4.394 2.081 -0.141) 4.864 38.242 ( -4.860 -1.944 -1.024) 5.333 38.242 ( -4.860 1.944 -1.024) 5.333 38.555 ( -1.612 -4.484 -1.016) 4.872 38.555 ( -1.612 4.484 -1.016) 4.872 39.064 ( -2.563 -4.796 1.552) 5.655 39.064 ( -2.563 4.796 1.552) 5.655 39.451 ( 2.304 -8.172 9.009) 12.379 39.451 ( 2.304 8.172 9.009) 12.379 39.850 ( 2.718 -4.820 -3.913) 6.777 39.850 ( 2.718 4.820 -3.913) 6.777 40.306 ( -4.620 -2.154 -0.146) 5.099 40.306 ( -4.620 2.154 -0.146) 5.099 40.685 ( -0.543 -5.995 -0.702) 6.060 40.685 ( -0.543 5.995 -0.702) 6.060 41.162 ( 2.338 -4.374 0.463) 4.981 41.162 ( 2.338 4.374 0.463) 4.981 41.565 ( -2.703 -6.282 3.458) 7.664 41.565 ( -2.703 6.282 3.458) 7.664 42.359 ( 3.397 -13.191 10.029) 16.915 42.359 ( 3.397 13.191 10.029) 16.915 43.093 ( -0.470 -11.618 -18.411) 21.775 43.093 ( -0.470 11.618 -18.411) 21.775 ======================= Grid point 111 (61/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -6.733 -3.972 2.146) 8.106 2.132 ( -6.733 3.972 2.146) 8.106 2.646 ( -11.608 -6.104 2.237) 13.304 2.646 ( -11.608 6.104 2.237) 13.304 2.869 ( 1.955 -5.671 1.287) 6.135 2.869 ( 1.955 5.671 1.287) 6.135 3.156 ( -0.723 -2.273 -0.445) 2.426 3.156 ( -0.723 2.273 -0.445) 2.426 3.394 ( 0.489 -4.271 2.761) 5.109 3.394 ( 0.489 4.271 2.761) 5.109 3.590 ( -1.215 -1.755 -4.760) 5.217 3.590 ( -1.215 1.755 -4.760) 5.217 3.735 ( -6.493 -5.277 2.176) 8.646 3.735 ( -6.493 5.277 2.176) 8.646 4.060 ( -1.362 -4.910 2.066) 5.498 4.060 ( -1.362 4.910 2.066) 5.498 4.440 ( -0.785 -6.825 2.313) 7.249 4.440 ( -0.785 6.825 2.313) 7.249 4.699 ( 2.303 -0.852 -6.065) 6.543 4.699 ( 2.303 0.852 -6.065) 6.543 4.793 ( -4.419 -5.492 1.414) 7.190 4.793 ( -4.419 5.492 1.414) 7.190 5.056 ( 3.989 -3.569 5.023) 7.340 5.056 ( 3.989 3.569 5.023) 7.340 5.244 ( -0.734 -5.482 0.194) 5.534 5.244 ( -0.734 5.482 0.194) 5.534 5.500 ( 1.259 -3.702 -3.161) 5.028 5.500 ( 1.259 3.702 -3.161) 5.028 5.732 ( -2.198 -4.263 -5.226) 7.093 5.732 ( -2.198 4.263 -5.226) 7.093 5.873 ( -2.602 -1.833 -9.964) 10.460 5.873 ( -2.602 1.833 -9.964) 10.460 6.196 ( 0.929 -2.507 3.811) 4.655 6.196 ( 0.929 2.507 3.811) 4.655 6.592 ( 0.039 -3.446 -5.249) 6.279 6.592 ( 0.039 3.446 -5.249) 6.279 6.789 ( 8.745 -4.351 1.479) 9.879 6.789 ( 8.745 4.351 1.479) 9.879 7.121 ( -2.915 -3.238 -2.419) 4.984 7.121 ( -2.915 3.238 -2.419) 4.984 7.300 ( -7.723 -3.819 9.930) 13.147 7.300 ( -7.723 3.819 9.930) 13.147 7.484 ( 0.254 -1.971 6.314) 6.619 7.484 ( 0.254 1.971 6.314) 6.619 7.726 ( -4.020 -3.246 2.576) 5.773 7.726 ( -4.020 3.246 2.576) 5.773 8.278 ( -7.390 -5.596 -3.781) 10.011 8.278 ( -7.390 5.596 -3.781) 10.011 9.131 ( -3.381 -2.979 -2.660) 5.233 9.131 ( -3.381 2.979 -2.660) 5.233 9.392 ( -4.115 -4.285 0.188) 5.944 9.392 ( -4.115 4.285 0.188) 5.944 10.272 ( -3.554 -5.659 -3.962) 7.769 10.272 ( -3.554 5.659 -3.962) 7.769 10.426 ( -1.428 -5.501 1.791) 5.959 10.426 ( -1.428 5.501 1.791) 5.959 10.842 ( -4.626 -4.989 0.936) 6.868 10.842 ( -4.626 4.989 0.936) 6.868 11.044 ( 0.938 -7.173 -2.208) 7.564 11.044 ( 0.938 7.173 -2.208) 7.564 11.715 ( 4.552 -3.147 1.653) 5.776 11.715 ( 4.552 3.147 1.653) 5.776 12.127 ( -7.976 -3.141 2.502) 8.930 12.127 ( -7.976 3.141 2.502) 8.930 12.353 ( 3.492 -1.599 2.943) 4.839 12.353 ( 3.492 1.599 2.943) 4.839 12.684 ( 3.861 -1.928 0.057) 4.316 12.684 ( 3.861 1.928 0.057) 4.316 13.110 ( -4.161 -5.021 -2.280) 6.908 13.110 ( -4.161 5.021 -2.280) 6.908 13.556 ( 1.353 -1.907 3.380) 4.110 13.556 ( 1.353 1.907 3.380) 4.110 14.102 ( -3.843 -7.660 -0.456) 8.582 14.102 ( -3.843 7.660 -0.456) 8.582 14.382 ( 9.424 -6.807 -2.143) 11.821 14.382 ( 9.424 6.807 -2.143) 11.821 14.908 ( 11.417 -3.878 -0.006) 12.057 14.908 ( 11.417 3.878 -0.006) 12.057 15.230 ( 8.324 -3.493 12.120) 15.112 15.230 ( 8.324 3.493 12.120) 15.112 16.098 ( 4.008 -3.011 -2.482) 5.594 16.098 ( 4.008 3.011 -2.482) 5.594 16.346 ( 11.788 -4.132 -6.423) 14.046 16.346 ( 11.788 4.132 -6.423) 14.046 16.633 ( -2.197 -6.172 -3.306) 7.338 16.633 ( -2.197 6.172 -3.306) 7.338 17.197 ( -7.835 -4.742 8.220) 12.306 17.197 ( -7.835 4.742 8.220) 12.306 17.506 ( -5.320 -3.727 1.983) 6.791 17.506 ( -5.320 3.727 1.983) 6.791 18.222 ( -11.190 -5.163 3.311) 12.761 18.222 ( -11.190 5.163 3.311) 12.761 18.535 ( 10.819 -3.811 0.683) 11.491 18.535 ( 10.819 3.811 0.683) 11.491 18.853 ( 2.061 -7.002 -2.710) 7.786 18.853 ( 2.061 7.002 -2.710) 7.786 19.128 ( -2.500 -2.082 -1.253) 3.486 19.128 ( -2.500 2.082 -1.253) 3.486 19.349 ( 3.158 -4.526 -0.242) 5.524 19.349 ( 3.158 4.526 -0.242) 5.524 19.594 ( -4.495 -4.367 -1.498) 6.444 19.594 ( -4.495 4.367 -1.498) 6.444 19.760 ( -3.061 -4.182 -5.412) 7.493 19.760 ( -3.061 4.182 -5.412) 7.493 19.845 ( 3.276 -1.927 -4.560) 5.936 19.845 ( 3.276 1.927 -4.560) 5.936 20.021 ( 2.565 -0.410 -0.210) 2.606 20.021 ( 2.565 0.410 -0.210) 2.606 20.679 ( 2.835 -2.994 -0.577) 4.163 20.679 ( 2.835 2.994 -0.577) 4.163 21.143 ( -0.238 -4.976 -7.909) 9.347 21.143 ( -0.238 4.976 -7.909) 9.347 21.917 ( 2.335 -6.116 4.140) 7.746 21.917 ( 2.335 6.116 4.140) 7.746 22.106 ( 4.328 -3.533 0.191) 5.590 22.106 ( 4.328 3.533 0.191) 5.590 22.248 ( 5.056 -2.739 2.080) 6.115 22.248 ( 5.056 2.739 2.080) 6.115 22.940 ( 9.722 -4.258 -2.002) 10.800 22.940 ( 9.722 4.258 -2.002) 10.800 24.873 ( -7.219 -2.283 -1.453) 7.709 24.873 ( -7.219 2.283 -1.453) 7.709 25.999 ( 2.754 -13.133 12.244) 18.165 25.999 ( 2.754 13.133 12.244) 18.165 26.642 ( -0.385 -8.796 -2.143) 9.062 26.642 ( -0.385 8.796 -2.143) 9.062 26.756 ( -6.414 -2.020 -1.171) 6.825 26.756 ( -6.414 2.020 -1.171) 6.825 27.170 ( -8.050 -2.075 -10.005) 13.008 27.170 ( -8.050 2.075 -10.005) 13.008 27.467 ( 9.605 -8.415 3.601) 13.268 27.467 ( 9.605 8.415 3.601) 13.268 27.954 ( -8.629 -6.507 12.520) 16.540 27.954 ( -8.629 6.507 12.520) 16.540 28.584 ( 5.356 -2.573 -5.443) 8.058 28.584 ( 5.356 2.573 -5.443) 8.058 28.897 ( -4.607 -4.003 -5.822) 8.434 28.897 ( -4.607 4.003 -5.822) 8.434 29.613 ( -5.702 -2.428 0.638) 6.230 29.613 ( -5.702 2.428 0.638) 6.230 30.534 ( -22.141 -5.842 2.199) 23.004 30.534 ( -22.141 5.842 2.199) 23.004 30.757 ( -6.031 -4.860 1.150) 7.830 30.757 ( -6.031 4.860 1.150) 7.830 31.266 ( 9.974 -1.655 -2.320) 10.373 31.266 ( 9.974 1.655 -2.320) 10.373 31.985 ( 19.426 -1.612 -3.689) 19.839 31.985 ( 19.426 1.612 -3.689) 19.839 32.797 ( -7.846 -0.358 8.520) 11.588 32.797 ( -7.846 0.358 8.520) 11.588 33.024 ( -0.630 -2.588 -1.902) 3.273 33.024 ( -0.630 2.588 -1.902) 3.273 33.849 ( 2.787 -1.396 -1.183) 3.335 33.849 ( 2.787 1.396 -1.183) 3.335 34.101 ( 2.347 -3.612 -0.983) 4.418 34.101 ( 2.347 3.612 -0.983) 4.418 38.074 ( -1.992 -0.859 -3.214) 3.878 38.074 ( -1.992 0.859 -3.214) 3.878 38.286 ( 7.354 -2.920 3.238) 8.550 38.286 ( 7.354 2.920 3.238) 8.550 38.533 ( -0.551 -2.124 0.263) 2.210 38.533 ( -0.551 2.124 0.263) 2.210 39.046 ( -0.710 -3.292 3.075) 4.560 39.046 ( -0.710 3.292 3.075) 4.560 39.522 ( 0.239 -8.905 6.929) 11.285 39.522 ( 0.239 8.905 6.929) 11.285 39.817 ( -2.198 -3.713 -9.495) 10.429 39.817 ( -2.198 3.713 -9.495) 10.429 40.290 ( 1.015 -2.832 6.697) 7.342 40.290 ( 1.015 2.832 6.697) 7.342 40.685 ( 1.410 -5.215 -0.173) 5.405 40.685 ( 1.410 5.215 -0.173) 5.405 41.166 ( -2.006 -6.567 -2.114) 7.185 41.166 ( -2.006 6.567 -2.114) 7.185 41.548 ( -0.492 -0.655 4.700) 4.771 41.548 ( -0.492 0.655 4.700) 4.771 42.461 ( 0.852 -14.913 11.208) 18.675 42.461 ( 0.852 14.913 11.208) 18.675 42.948 ( -3.849 -9.529 -19.944) 22.436 42.948 ( -3.849 9.529 -19.944) 22.436 ======================= Grid point 113 (62/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -11.705 -17.462 10.430) 23.467 1.998 ( -11.705 17.462 10.430) 23.467 2.468 ( -10.419 -11.587 8.935) 17.962 2.468 ( -10.419 11.587 8.935) 17.962 2.848 ( -10.180 -4.302 -2.545) 11.341 2.848 ( -10.180 4.302 -2.545) 11.341 3.040 ( -7.073 -2.656 -4.074) 8.583 3.040 ( -7.073 2.656 -4.074) 8.583 3.264 ( -7.962 -1.189 1.238) 8.145 3.264 ( -7.962 1.189 1.238) 8.145 3.506 ( 1.337 -4.749 0.147) 4.936 3.506 ( 1.337 4.749 0.147) 4.936 3.763 ( -0.566 -3.404 1.534) 3.777 3.763 ( -0.566 3.404 1.534) 3.777 4.063 ( 0.452 -4.422 1.884) 4.828 4.063 ( 0.452 4.422 1.884) 4.828 4.461 ( 0.534 -8.400 0.580) 8.437 4.461 ( 0.534 8.400 0.580) 8.437 4.598 ( -7.283 -1.873 -0.282) 7.526 4.598 ( -7.283 1.873 -0.282) 7.526 4.764 ( 1.378 -6.981 -2.207) 7.450 4.764 ( 1.378 6.981 -2.207) 7.450 5.094 ( -3.382 -6.803 -0.984) 7.661 5.094 ( -3.382 6.803 -0.984) 7.661 5.283 ( 3.342 -9.840 -0.313) 10.397 5.283 ( 3.342 9.840 -0.313) 10.397 5.492 ( -3.062 -2.645 4.980) 6.417 5.492 ( -3.062 2.645 4.980) 6.417 5.532 ( -11.407 -2.790 -9.814) 15.304 5.532 ( -11.407 2.790 -9.814) 15.304 5.835 ( 2.812 -2.762 -8.517) 9.385 5.835 ( 2.812 2.762 -8.517) 9.385 6.266 ( 5.878 -7.942 0.059) 9.881 6.266 ( 5.878 7.942 0.059) 9.881 6.522 ( -3.044 -6.055 -4.140) 7.941 6.522 ( -3.044 6.055 -4.140) 7.941 6.918 ( -1.017 -5.321 7.957) 9.626 6.918 ( -1.017 5.321 7.957) 9.626 7.043 ( -0.017 -7.102 -1.855) 7.341 7.043 ( -0.017 7.102 -1.855) 7.341 7.301 ( 3.590 -5.324 4.497) 7.840 7.301 ( 3.590 5.324 4.497) 7.840 7.581 ( 7.255 -3.330 0.864) 8.030 7.581 ( 7.255 3.330 0.864) 8.030 7.680 ( -2.003 -3.092 2.780) 4.615 7.680 ( -2.003 3.092 2.780) 4.615 8.152 ( -2.785 -2.510 0.498) 3.782 8.152 ( -2.785 2.510 0.498) 3.782 9.031 ( -5.620 -3.251 -2.322) 6.895 9.031 ( -5.620 3.251 -2.322) 6.895 9.276 ( -7.635 -3.122 -0.713) 8.279 9.276 ( -7.635 3.122 -0.713) 8.279 10.116 ( -9.126 -4.774 -4.790) 11.359 10.116 ( -9.126 4.774 -4.790) 11.359 10.398 ( -3.777 -5.486 0.327) 6.668 10.398 ( -3.777 5.486 0.327) 6.668 10.732 ( -4.920 -5.322 -1.061) 7.325 10.732 ( -4.920 5.322 -1.061) 7.325 11.042 ( 0.202 -3.826 2.396) 4.519 11.042 ( 0.202 3.826 2.396) 4.519 11.815 ( 5.225 -2.559 -2.561) 6.357 11.815 ( 5.225 2.559 -2.561) 6.357 12.019 ( -5.044 -2.356 3.674) 6.670 12.019 ( -5.044 2.356 3.674) 6.670 12.479 ( 5.217 -4.100 1.141) 6.733 12.479 ( 5.217 4.100 1.141) 6.733 12.745 ( 2.770 -5.300 4.464) 7.463 12.745 ( 2.770 5.300 4.464) 7.463 13.080 ( 1.031 -10.119 0.526) 10.185 13.080 ( 1.031 10.119 0.526) 10.185 13.449 ( -10.365 -0.540 4.478) 11.304 13.449 ( -10.365 0.540 4.478) 11.304 14.000 ( -3.967 -11.251 -3.595) 12.460 14.000 ( -3.967 11.251 -3.595) 12.460 14.639 ( 13.133 -10.485 -3.513) 17.168 14.639 ( 13.133 10.485 -3.513) 17.168 15.163 ( 10.339 -1.278 1.028) 10.468 15.163 ( 10.339 1.278 1.028) 10.468 15.495 ( 12.663 -1.565 11.481) 17.165 15.495 ( 12.663 1.565 11.481) 17.165 16.195 ( 7.950 -2.824 -2.835) 8.900 16.195 ( 7.950 2.824 -2.835) 8.900 16.468 ( -1.707 -11.850 -1.871) 12.117 16.468 ( -1.707 11.850 -1.871) 12.117 16.684 ( 11.954 -1.936 -1.311) 12.180 16.684 ( 11.954 1.936 -1.311) 12.180 17.088 ( -4.461 -6.742 4.732) 9.367 17.088 ( -4.461 6.742 4.732) 9.367 17.501 ( 3.571 -2.493 -0.981) 4.464 17.501 ( 3.571 2.493 -0.981) 4.464 18.057 ( -5.368 -8.236 -0.531) 9.845 18.057 ( -5.368 8.236 -0.531) 9.845 18.608 ( -5.936 -5.754 7.690) 11.290 18.608 ( -5.936 5.754 7.690) 11.290 18.846 ( -0.271 -4.028 -3.516) 5.354 18.846 ( -0.271 4.028 -3.516) 5.354 19.110 ( 1.783 -2.538 -3.819) 4.920 19.110 ( 1.783 2.538 -3.819) 4.920 19.391 ( -0.961 -4.489 -0.150) 4.593 19.391 ( -0.961 4.489 -0.150) 4.593 19.496 ( -3.184 -1.703 -8.615) 9.341 19.496 ( -3.184 1.703 -8.615) 9.341 19.645 ( -4.064 -0.955 1.731) 4.519 19.645 ( -4.064 0.955 1.731) 4.519 19.855 ( 0.005 -2.528 -2.854) 3.813 19.855 ( 0.005 2.528 -2.854) 3.813 20.129 ( 7.162 -0.110 -1.315) 7.283 20.129 ( 7.162 0.110 -1.315) 7.283 20.732 ( 1.453 -0.795 0.554) 1.747 20.732 ( 1.453 0.795 0.554) 1.747 21.096 ( 0.816 -1.816 -7.096) 7.370 21.096 ( 0.816 1.816 -7.096) 7.370 21.987 ( 3.146 -4.047 0.578) 5.158 21.987 ( 3.146 4.047 0.578) 5.158 22.133 ( -0.262 -1.881 1.223) 2.259 22.133 ( -0.262 1.881 1.223) 2.259 22.520 ( 19.048 -0.457 2.900) 19.273 22.520 ( 19.048 0.457 2.900) 19.273 23.222 ( 18.652 -3.467 2.692) 19.162 23.222 ( 18.652 3.467 2.692) 19.162 24.669 ( -12.798 -1.195 -1.527) 12.944 24.669 ( -12.798 1.195 -1.527) 12.944 26.098 ( -2.326 -14.067 11.072) 18.052 26.098 ( -2.326 14.067 11.072) 18.052 26.380 ( -15.825 -6.672 -10.259) 20.005 26.380 ( -15.825 6.672 -10.259) 20.005 26.742 ( 1.087 -1.240 0.705) 1.794 26.742 ( 1.087 1.240 0.705) 1.794 26.971 ( -5.746 -3.639 -8.792) 11.116 26.971 ( -5.746 3.639 -8.792) 11.116 27.654 ( 5.407 -4.981 -0.550) 7.372 27.654 ( 5.407 4.981 -0.550) 7.372 27.917 ( -0.608 -9.037 14.090) 16.750 27.917 ( -0.608 9.037 14.090) 16.750 28.628 ( 0.229 -5.445 -6.102) 8.181 28.628 ( 0.229 5.445 -6.102) 8.181 28.777 ( -1.975 -5.819 -4.430) 7.575 28.777 ( -1.975 5.819 -4.430) 7.575 29.452 ( -10.336 -2.257 -0.571) 10.595 29.452 ( -10.336 2.257 -0.571) 10.595 30.127 ( -19.735 -7.349 3.025) 21.275 30.127 ( -19.735 7.349 3.025) 21.275 30.523 ( -14.372 -5.699 -5.736) 16.490 30.523 ( -14.372 5.699 -5.736) 16.490 31.510 ( 12.286 -2.102 1.683) 12.577 31.510 ( 12.286 2.102 1.683) 12.577 32.302 ( 13.852 -1.459 -3.064) 14.262 32.302 ( 13.852 1.459 -3.064) 14.262 32.707 ( -6.197 -0.643 10.546) 12.248 32.707 ( -6.197 0.643 10.546) 12.248 33.042 ( 3.748 -3.947 -0.578) 5.474 33.042 ( 3.748 3.947 -0.578) 5.474 33.907 ( 4.464 -1.135 -3.088) 5.546 33.907 ( 4.464 1.135 -3.088) 5.546 34.154 ( 2.132 -0.740 3.181) 3.900 34.154 ( 2.132 0.740 3.181) 3.900 38.054 ( 1.968 -0.613 -1.871) 2.784 38.054 ( 1.968 0.613 -1.871) 2.784 38.466 ( 7.424 -2.801 4.626) 9.185 38.466 ( 7.424 2.801 4.626) 9.185 38.532 ( 0.721 -3.117 0.003) 3.200 38.532 ( 0.721 3.117 0.003) 3.200 39.058 ( -0.806 -2.884 4.805) 5.661 39.058 ( -0.806 2.884 4.805) 5.661 39.505 ( -4.219 -6.395 -0.393) 7.671 39.505 ( -4.219 6.395 -0.393) 7.671 39.726 ( -1.212 -7.314 -5.420) 9.184 39.726 ( -1.212 7.314 -5.420) 9.184 40.375 ( 2.363 -4.468 8.617) 9.990 40.375 ( 2.363 4.468 8.617) 9.990 40.761 ( 6.235 -2.429 2.013) 6.988 40.761 ( 6.235 2.429 2.013) 6.988 41.076 ( -4.339 -4.662 -5.395) 8.347 41.076 ( -4.339 4.662 -5.395) 8.347 41.591 ( 1.141 -4.082 6.756) 7.975 41.591 ( 1.141 4.082 6.756) 7.975 42.458 ( -6.737 -11.281 0.417) 13.146 42.458 ( -6.737 11.281 0.417) 13.146 42.790 ( -1.183 -9.840 -10.362) 14.339 42.790 ( -1.183 9.840 -10.362) 14.339 ======================= Grid point 115 (63/78) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -19.418 -13.733 11.988) 26.634 1.749 ( -19.418 13.733 11.988) 26.634 2.197 ( -16.711 -13.607 13.983) 25.689 2.197 ( -16.711 13.607 13.983) 25.689 2.695 ( -0.967 -12.156 2.049) 12.366 2.695 ( -0.967 12.156 2.049) 12.366 3.002 ( -0.657 -5.253 -1.320) 5.456 3.002 ( -0.657 5.253 -1.320) 5.456 3.143 ( -7.367 -0.872 4.935) 8.910 3.143 ( -7.367 0.872 4.935) 8.910 3.549 ( -1.285 -5.622 -5.573) 8.019 3.549 ( -1.285 5.622 -5.573) 8.019 3.642 ( -3.233 -4.884 -1.811) 6.131 3.642 ( -3.233 4.884 -1.811) 6.131 4.073 ( -1.881 -1.124 1.291) 2.544 4.073 ( -1.881 1.124 1.291) 2.544 4.401 ( -2.768 -2.169 -5.736) 6.729 4.401 ( -2.768 2.169 -5.736) 6.729 4.538 ( -2.057 -6.075 9.170) 11.190 4.538 ( -2.057 6.075 9.170) 11.190 4.776 ( -4.137 -1.802 1.413) 4.728 4.776 ( -4.137 1.802 1.413) 4.728 4.980 ( -0.202 -0.351 -10.499) 10.507 4.980 ( -0.202 0.351 -10.499) 10.507 5.285 ( -3.493 -3.086 3.071) 5.582 5.285 ( -3.493 3.086 3.071) 5.582 5.349 ( -0.196 -1.600 -8.732) 8.879 5.349 ( -0.196 1.600 -8.732) 8.879 5.475 ( -0.920 -1.596 3.663) 4.100 5.475 ( -0.920 1.596 3.663) 4.100 5.851 ( 3.068 -4.281 -7.628) 9.270 5.851 ( 3.068 4.281 -7.628) 9.270 6.370 ( 1.248 -4.680 -0.821) 4.912 6.370 ( 1.248 4.680 -0.821) 4.912 6.507 ( 4.506 -8.011 -3.237) 9.744 6.507 ( 4.506 8.011 -3.237) 9.744 6.860 ( -5.320 -7.895 8.297) 12.628 6.860 ( -5.320 7.895 8.297) 12.628 7.077 ( 2.000 -7.492 -2.843) 8.259 7.077 ( 2.000 7.492 -2.843) 8.259 7.455 ( 8.175 -6.546 4.945) 11.582 7.455 ( 8.175 6.546 4.945) 11.582 7.648 ( -1.052 -1.231 1.108) 1.962 7.648 ( -1.052 1.231 1.108) 1.962 7.776 ( 9.760 -8.544 0.428) 12.978 7.776 ( 9.760 8.544 0.428) 12.978 8.157 ( 1.345 -3.001 -0.498) 3.326 8.157 ( 1.345 3.001 -0.498) 3.326 8.889 ( -7.894 -2.021 -0.571) 8.169 8.889 ( -7.894 2.021 -0.571) 8.169 9.105 ( -7.725 -0.771 -3.125) 8.369 9.105 ( -7.725 0.771 -3.125) 8.369 9.933 ( -6.516 -5.822 -1.811) 8.924 9.933 ( -6.516 5.822 -1.811) 8.924 10.272 ( -6.937 -4.487 -3.738) 9.068 10.272 ( -6.937 4.487 -3.738) 9.068 10.650 ( -3.285 -7.370 -0.248) 8.073 10.650 ( -3.285 7.370 -0.248) 8.073 11.104 ( 3.384 -3.355 4.844) 6.795 11.104 ( 3.384 3.355 4.844) 6.795 11.883 ( 2.512 -0.415 -1.375) 2.894 11.883 ( 2.512 0.415 -1.375) 2.894 11.960 ( -2.098 -5.319 1.366) 5.878 11.960 ( -2.098 5.319 1.366) 5.878 12.499 ( -1.548 -7.561 -1.953) 7.961 12.499 ( -1.548 7.561 -1.953) 7.961 12.851 ( 3.678 -6.304 3.731) 8.196 12.851 ( 3.678 6.304 3.731) 8.196 13.101 ( -2.265 -11.853 5.903) 13.434 13.101 ( -2.265 11.853 5.903) 13.434 13.355 ( 1.284 -1.936 4.796) 5.329 13.355 ( 1.284 1.936 4.796) 5.329 13.933 ( -0.998 -12.576 -4.379) 13.354 13.933 ( -0.998 12.576 -4.379) 13.354 14.759 ( 1.950 -7.719 -5.794) 9.847 14.759 ( 1.950 7.719 -5.794) 9.847 15.322 ( 3.780 -3.673 7.854) 9.458 15.322 ( 3.780 3.673 7.854) 9.458 15.656 ( -1.842 -3.803 4.325) 6.047 15.656 ( -1.842 3.803 4.325) 6.047 16.398 ( 6.885 -5.992 -2.714) 9.522 16.398 ( 6.885 5.992 -2.714) 9.522 16.462 ( 9.918 -4.863 0.425) 11.054 16.462 ( 9.918 4.863 0.425) 11.054 16.817 ( -0.323 -9.816 2.437) 10.119 16.817 ( -0.323 9.816 2.437) 10.119 17.175 ( 10.474 -2.324 1.814) 10.881 17.175 ( 10.474 2.324 1.814) 10.881 17.592 ( 5.249 -1.517 -0.934) 5.543 17.592 ( 5.249 1.517 -0.934) 5.543 18.030 ( 2.787 -8.094 -3.698) 9.325 18.030 ( 2.787 8.094 -3.698) 9.325 18.494 ( -7.065 -4.222 5.759) 10.045 18.494 ( -7.065 4.222 5.759) 10.045 18.756 ( -6.262 -2.904 -3.277) 7.641 18.756 ( -6.262 2.904 -3.277) 7.641 19.074 ( -6.914 -1.535 -6.041) 9.309 19.074 ( -6.914 1.535 -6.041) 9.309 19.299 ( -1.652 -3.546 -3.227) 5.072 19.299 ( -1.652 3.546 -3.227) 5.072 19.457 ( 1.503 -3.475 0.499) 3.819 19.457 ( 1.503 3.475 0.499) 3.819 19.651 ( 1.061 -2.406 2.839) 3.870 19.651 ( 1.061 2.406 2.839) 3.870 19.821 ( -1.108 -4.432 -5.353) 7.038 19.821 ( -1.108 4.432 -5.353) 7.038 20.246 ( 4.785 -0.766 0.230) 4.851 20.246 ( 4.785 0.766 0.230) 4.851 20.731 ( -1.212 -0.852 1.216) 1.916 20.731 ( -1.212 0.852 1.216) 1.916 21.102 ( 2.661 -2.715 -7.675) 8.564 21.102 ( 2.661 2.715 -7.675) 8.564 22.040 ( 1.589 -1.664 0.928) 2.481 22.040 ( 1.589 1.664 0.928) 2.481 22.138 ( 0.682 -2.088 0.241) 2.210 22.138 ( 0.682 2.088 0.241) 2.210 22.945 ( 21.711 -1.701 1.983) 21.867 22.945 ( 21.711 1.701 1.983) 21.867 23.652 ( 20.998 -3.753 8.420) 22.933 23.652 ( 20.998 3.753 8.420) 22.933 24.375 ( -15.742 -0.249 -1.820) 15.848 24.375 ( -15.742 0.249 -1.820) 15.848 25.776 ( -23.383 -3.726 -9.393) 25.473 25.776 ( -23.383 3.726 -9.393) 25.473 26.245 ( -2.610 -9.300 3.190) 10.172 26.245 ( -2.610 9.300 3.190) 10.172 26.725 ( -0.799 -3.160 -7.182) 7.887 26.725 ( -0.799 3.160 -7.182) 7.887 26.914 ( 1.761 -3.344 1.903) 4.232 26.914 ( 1.761 3.344 1.903) 4.232 27.648 ( -2.919 -2.694 -2.888) 4.911 27.648 ( -2.919 2.694 -2.888) 4.911 28.039 ( 3.384 -8.208 8.824) 12.517 28.039 ( 3.384 8.208 8.824) 12.517 28.496 ( -7.019 -10.012 -4.435) 13.007 28.496 ( -7.019 10.012 -4.435) 13.007 28.847 ( 8.959 -4.003 -3.765) 10.510 28.847 ( 8.959 4.003 -3.765) 10.510 29.251 ( -8.656 -0.524 -0.147) 8.673 29.251 ( -8.656 0.524 -0.147) 8.673 29.822 ( -13.326 -6.686 3.737) 15.370 29.822 ( -13.326 6.686 3.737) 15.370 30.237 ( -9.172 -8.792 -7.367) 14.687 30.237 ( -9.172 8.792 -7.367) 14.687 31.694 ( 4.432 -1.377 4.327) 6.345 31.694 ( 4.432 1.377 4.327) 6.345 32.464 ( 4.211 -1.057 -0.622) 4.386 32.464 ( 4.211 1.057 -0.622) 4.386 32.679 ( -2.708 -2.727 10.504) 11.185 32.679 ( -2.708 2.727 10.504) 11.185 33.161 ( 8.594 -3.578 -3.271) 9.867 33.161 ( 8.594 3.578 -3.271) 9.867 33.985 ( 4.231 -1.647 -1.006) 4.651 33.985 ( 4.231 1.647 -1.006) 4.651 34.209 ( 1.492 -3.580 3.999) 5.571 34.209 ( 1.492 3.580 3.999) 5.571 38.132 ( 6.246 -1.215 -0.380) 6.375 38.132 ( 6.246 1.215 -0.380) 6.375 38.479 ( -4.149 -1.853 0.443) 4.565 38.479 ( -4.149 1.853 0.443) 4.565 38.666 ( 8.253 -6.056 2.799) 10.613 38.666 ( 8.253 6.056 2.799) 10.613 39.028 ( -5.079 -2.923 4.420) 7.340 39.028 ( -5.079 2.923 4.420) 7.340 39.424 ( -1.332 -3.578 -1.317) 4.039 39.424 ( -1.332 3.578 -1.317) 4.039 39.717 ( 1.342 -11.230 -2.733) 11.635 39.717 ( 1.342 11.230 -2.733) 11.635 40.444 ( -0.025 -5.479 8.974) 10.514 40.444 ( -0.025 5.479 8.974) 10.514 40.914 ( 4.911 -3.749 0.296) 6.186 40.914 ( 4.911 3.749 0.296) 6.186 40.977 ( -0.625 -2.670 -3.590) 4.518 40.977 ( -0.625 2.670 -3.590) 4.518 41.632 ( -0.966 -4.789 4.100) 6.378 41.632 ( -0.966 4.789 4.100) 6.378 42.227 ( -10.611 -5.921 -9.012) 15.128 42.227 ( -10.611 5.921 -9.012) 15.128 42.823 ( 5.308 -6.697 1.041) 8.608 42.823 ( 5.308 6.697 1.041) 8.608 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -11.157 0.000 -17.694) 20.917 1.811 ( 11.157 0.000 17.694) 20.917 2.240 ( -7.821 0.000 -0.025) 7.821 2.240 ( 7.821 0.000 0.025) 7.821 2.862 ( -6.806 0.000 -2.169) 7.143 2.862 ( 6.806 0.000 2.169) 7.143 2.921 ( -0.883 0.000 -17.176) 17.198 2.921 ( 0.883 0.000 17.176) 17.198 3.107 ( -8.267 0.000 -12.200) 14.737 3.107 ( 8.267 0.000 12.200) 14.737 3.432 ( -2.130 0.000 -0.356) 2.159 3.432 ( 2.130 0.000 0.356) 2.159 3.566 ( -2.044 0.000 -15.779) 15.911 3.566 ( 2.044 0.000 15.779) 15.911 4.009 ( -4.030 0.000 -2.635) 4.815 4.009 ( 4.030 0.000 2.635) 4.815 4.266 ( -0.665 0.000 -10.000) 10.022 4.266 ( 0.665 0.000 10.000) 10.022 4.513 ( 0.371 0.000 -12.947) 12.952 4.513 ( -0.371 0.000 12.947) 12.952 4.683 ( -4.159 0.000 -2.817) 5.023 4.683 ( 4.159 0.000 2.817) 5.023 5.083 ( -9.053 0.000 1.314) 9.148 5.083 ( 9.053 0.000 -1.314) 9.148 5.187 ( -3.159 0.000 -3.509) 4.722 5.187 ( 3.159 0.000 3.509) 4.722 5.423 ( 3.466 0.000 -2.950) 4.551 5.423 ( -3.466 0.000 2.950) 4.551 5.501 ( 1.203 0.000 -2.097) 2.417 5.501 ( -1.203 0.000 2.097) 2.417 5.729 ( -2.330 0.000 0.388) 2.362 5.729 ( 2.330 0.000 -0.388) 2.362 6.272 ( 12.149 0.000 -8.096) 14.600 6.272 ( -12.149 0.000 8.096) 14.600 6.460 ( -7.515 0.000 -4.365) 8.691 6.460 ( 7.515 0.000 4.365) 8.691 6.957 ( -4.258 0.000 -3.199) 5.325 6.957 ( 4.258 0.000 3.199) 5.325 7.261 ( -7.967 0.000 -0.245) 7.971 7.261 ( 7.967 0.000 0.245) 7.971 7.501 ( -1.785 0.000 -1.381) 2.257 7.501 ( 1.785 0.000 1.381) 2.257 7.632 ( 0.446 0.000 -0.537) 0.699 7.632 ( -0.446 0.000 0.537) 0.699 7.745 ( 1.106 0.000 -9.572) 9.636 7.745 ( -1.106 0.000 9.572) 9.636 8.308 ( -5.228 0.000 -8.084) 9.628 8.308 ( 5.228 0.000 8.084) 9.628 8.822 ( 0.842 0.000 -0.609) 1.039 8.822 ( -0.842 0.000 0.609) 1.039 8.932 ( 3.620 0.000 -1.490) 3.914 8.932 ( -3.620 0.000 1.490) 3.914 9.890 ( -0.404 0.000 -5.558) 5.573 9.890 ( 0.404 0.000 5.558) 5.573 10.061 ( -3.664 0.000 -7.623) 8.458 10.061 ( 3.664 0.000 7.623) 8.458 10.546 ( -0.238 0.000 -3.773) 3.781 10.546 ( 0.238 0.000 3.773) 3.781 11.370 ( -2.969 0.000 0.229) 2.978 11.370 ( 2.969 0.000 -0.229) 2.978 11.842 ( 2.490 0.000 -2.459) 3.500 11.842 ( -2.490 0.000 2.459) 3.500 11.988 ( -8.436 0.000 0.499) 8.451 11.988 ( 8.436 0.000 -0.499) 8.451 12.570 ( -0.459 0.000 -5.122) 5.143 12.570 ( 0.459 0.000 5.122) 5.143 12.684 ( 4.720 0.000 -9.497) 10.606 12.684 ( -4.720 0.000 9.497) 10.606 13.198 ( 7.556 0.000 -2.525) 7.967 13.198 ( -7.556 0.000 2.525) 7.967 13.551 ( -6.094 0.000 -1.728) 6.335 13.551 ( 6.094 0.000 1.728) 6.335 13.897 ( -2.740 0.000 -9.832) 10.207 13.897 ( 2.740 0.000 9.832) 10.207 14.810 ( -12.049 0.000 -8.693) 14.858 14.810 ( 12.049 0.000 8.693) 14.858 15.194 ( 3.098 0.000 -11.041) 11.468 15.194 ( -3.098 0.000 11.041) 11.468 15.801 ( 13.745 0.000 -12.531) 18.600 15.801 ( -13.745 0.000 12.531) 18.600 16.363 ( -5.893 0.000 0.064) 5.894 16.363 ( 5.893 0.000 -0.064) 5.894 16.509 ( 1.683 0.000 -9.484) 9.632 16.509 ( -1.683 0.000 9.484) 9.632 17.102 ( -13.619 0.000 -0.740) 13.639 17.102 ( 13.619 0.000 0.740) 13.639 17.425 ( -10.825 0.000 0.564) 10.840 17.425 ( 10.825 0.000 -0.564) 10.840 17.437 ( -3.880 0.000 -4.960) 6.298 17.437 ( 3.880 0.000 4.960) 6.298 18.096 ( -25.717 0.000 -0.052) 25.717 18.096 ( 25.717 0.000 0.052) 25.717 18.475 ( 6.582 0.000 -6.365) 9.157 18.475 ( -6.582 0.000 6.365) 9.157 18.528 ( -11.867 0.000 -5.120) 12.924 18.528 ( 11.867 0.000 5.120) 12.924 18.890 ( 6.249 0.000 -3.944) 7.390 18.890 ( -6.249 0.000 3.944) 7.390 19.290 ( 3.484 0.000 -7.009) 7.827 19.290 ( -3.484 0.000 7.009) 7.827 19.429 ( -4.033 0.000 0.885) 4.129 19.429 ( 4.033 0.000 -0.885) 4.129 19.739 ( 4.233 0.000 -2.429) 4.880 19.739 ( -4.233 0.000 2.429) 4.880 19.849 ( -0.300 0.000 -7.151) 7.157 19.849 ( 0.300 0.000 7.151) 7.157 20.276 ( 1.687 0.000 -1.798) 2.466 20.276 ( -1.687 0.000 1.798) 2.466 20.687 ( -2.283 0.000 0.496) 2.336 20.687 ( 2.283 0.000 -0.496) 2.336 21.019 ( 12.686 0.000 -4.595) 13.493 21.019 ( -12.686 0.000 4.595) 13.493 22.026 ( -4.076 0.000 0.323) 4.089 22.026 ( 4.076 0.000 -0.323) 4.089 22.197 ( -4.018 0.000 -0.847) 4.106 22.197 ( 4.018 0.000 0.847) 4.106 23.246 ( -1.264 0.000 -2.243) 2.574 23.246 ( 1.264 0.000 2.243) 2.574 24.119 ( 0.710 0.000 -1.827) 1.960 24.119 ( -0.710 0.000 1.827) 1.960 24.172 ( -7.916 0.000 -1.184) 8.004 24.172 ( 7.916 0.000 1.184) 8.004 25.222 ( 13.774 0.000 -5.351) 14.777 25.222 ( -13.774 0.000 5.351) 14.777 25.944 ( 5.268 0.000 -20.037) 20.718 25.944 ( -5.268 0.000 20.037) 20.718 26.707 ( -1.435 0.000 -1.185) 1.861 26.707 ( 1.435 0.000 1.185) 1.861 27.202 ( -5.586 0.000 -1.607) 5.812 27.202 ( 5.586 0.000 1.607) 5.812 27.678 ( -4.229 0.000 -0.656) 4.279 27.678 ( 4.229 0.000 0.656) 4.279 27.907 ( 1.294 0.000 -10.148) 10.230 27.907 ( -1.294 0.000 10.148) 10.230 28.570 ( -0.452 0.000 -9.287) 9.298 28.570 ( 0.452 0.000 9.287) 9.298 28.716 ( 8.721 0.000 -3.311) 9.329 28.716 ( -8.721 0.000 3.311) 9.329 29.205 ( 0.756 0.000 -2.100) 2.232 29.205 ( -0.756 0.000 2.100) 2.232 29.581 ( -0.499 0.000 -4.146) 4.176 29.581 ( 0.499 0.000 4.146) 4.176 30.298 ( 7.841 0.000 -12.990) 15.173 30.298 ( -7.841 0.000 12.990) 15.173 31.843 ( 5.219 0.000 -5.631) 7.677 31.843 ( -5.219 0.000 5.631) 7.677 32.474 ( 5.262 0.000 -4.966) 7.235 32.474 ( -5.262 0.000 4.966) 7.235 32.767 ( 4.365 0.000 -1.776) 4.713 32.767 ( -4.365 0.000 1.776) 4.713 33.232 ( -3.918 0.000 -4.733) 6.144 33.232 ( 3.918 0.000 4.733) 6.144 34.077 ( -11.401 0.000 0.311) 11.405 34.077 ( 11.401 0.000 -0.311) 11.405 34.115 ( -2.226 0.000 -3.011) 3.744 34.115 ( 2.226 0.000 3.011) 3.744 38.235 ( 0.954 0.000 -0.472) 1.065 38.235 ( -0.954 0.000 0.472) 1.065 38.377 ( 1.793 0.000 -1.821) 2.556 38.377 ( -1.793 0.000 1.821) 2.556 38.823 ( -3.985 0.000 -4.643) 6.118 38.823 ( 3.985 0.000 4.643) 6.118 39.128 ( 3.254 0.000 -2.757) 4.265 39.128 ( -3.254 0.000 2.757) 4.265 39.280 ( 4.562 0.000 -1.597) 4.833 39.280 ( -4.562 0.000 1.597) 4.833 39.769 ( -8.805 0.000 -11.594) 14.558 39.769 ( 8.805 0.000 11.594) 14.558 40.652 ( 0.767 0.000 -17.489) 17.506 40.652 ( -0.767 0.000 17.489) 17.506 40.789 ( -7.083 0.000 1.560) 7.253 40.789 ( 7.083 0.000 -1.560) 7.253 40.975 ( -1.820 0.000 -8.078) 8.280 40.975 ( 1.820 0.000 8.078) 8.280 41.604 ( -1.546 0.000 -4.987) 5.221 41.604 ( 1.546 0.000 4.987) 5.221 41.993 ( -4.316 0.000 -1.672) 4.628 41.993 ( 4.316 0.000 1.672) 4.628 43.043 ( 13.796 0.000 -6.614) 15.300 43.043 ( -13.796 0.000 6.614) 15.300 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 25.604 0.000 -12.292) 28.401 2.091 ( 7.615 0.000 -15.114) 16.923 2.241 ( 11.302 0.000 -7.083) 13.338 2.478 ( 14.453 0.000 7.106) 16.106 2.827 ( -1.025 0.000 -13.746) 13.784 2.841 ( 3.051 0.000 1.468) 3.386 2.905 ( -1.272 0.000 -2.016) 2.383 3.021 ( 1.053 0.000 13.760) 13.800 3.252 ( 19.276 0.000 5.495) 20.044 3.296 ( 0.354 0.000 9.019) 9.026 3.398 ( -1.109 0.000 -2.218) 2.480 3.460 ( 1.536 0.000 -0.802) 1.733 3.540 ( 12.578 0.000 -17.352) 21.431 3.710 ( 3.410 0.000 5.410) 6.395 3.981 ( 4.352 0.000 4.541) 6.290 4.070 ( -2.610 0.000 1.687) 3.108 4.207 ( 2.147 0.000 -2.724) 3.469 4.289 ( -4.732 0.000 17.274) 17.911 4.432 ( -2.346 0.000 -12.929) 13.140 4.601 ( 2.023 0.000 9.230) 9.450 4.663 ( 3.426 0.000 -0.515) 3.464 4.787 ( 6.821 0.000 0.196) 6.824 5.006 ( 1.272 0.000 6.828) 6.945 5.114 ( 0.182 0.000 -12.953) 12.954 5.249 ( 5.046 0.000 6.136) 7.944 5.278 ( 5.915 0.000 -3.489) 6.867 5.406 ( -0.652 0.000 6.083) 6.118 5.502 ( -1.393 0.000 -2.906) 3.222 5.505 ( 4.663 0.000 -3.974) 6.127 5.524 ( 5.202 0.000 -1.224) 5.344 5.648 ( -5.099 0.000 -2.051) 5.496 5.731 ( -0.824 0.000 -5.081) 5.147 6.093 ( -9.711 0.000 8.904) 13.175 6.269 ( -8.861 0.000 -0.962) 8.913 6.480 ( 13.012 0.000 -5.819) 14.254 6.579 ( 0.129 0.000 6.356) 6.357 6.815 ( -4.543 0.000 -4.848) 6.643 6.960 ( -4.987 0.000 1.742) 5.282 7.119 ( -5.920 0.000 0.927) 5.992 7.395 ( 5.872 0.000 -0.432) 5.887 7.449 ( -5.260 0.000 3.616) 6.383 7.530 ( -4.531 0.000 -3.369) 5.646 7.546 ( -3.117 0.000 -3.587) 4.752 7.637 ( 1.634 0.000 -3.398) 3.771 7.721 ( -6.326 0.000 9.450) 11.372 7.733 ( 0.258 0.000 5.890) 5.896 8.160 ( -1.856 0.000 -7.055) 7.295 8.276 ( -9.277 0.000 0.588) 9.296 8.841 ( 2.029 0.000 -0.773) 2.171 8.936 ( 7.590 0.000 0.469) 7.604 9.017 ( 11.281 0.000 6.414) 12.977 9.077 ( 9.615 0.000 -1.302) 9.703 9.861 ( 2.764 0.000 -8.575) 9.010 9.927 ( 0.697 0.000 3.640) 3.706 10.083 ( 6.647 0.000 -1.058) 6.731 10.270 ( 11.491 0.000 9.577) 14.959 10.542 ( 2.040 0.000 -2.582) 3.291 10.574 ( 0.950 0.000 1.615) 1.874 11.313 ( -2.702 0.000 -0.794) 2.816 11.416 ( 1.754 0.000 -0.797) 1.927 11.795 ( -8.826 0.000 2.723) 9.236 11.806 ( -2.583 0.000 3.524) 4.369 11.918 ( 4.289 0.000 -2.463) 4.946 12.127 ( 5.551 0.000 -0.340) 5.561 12.519 ( -2.000 0.000 -5.012) 5.397 12.561 ( -4.117 0.000 1.213) 4.293 12.680 ( 0.280 0.000 5.774) 5.780 12.741 ( 5.392 0.000 -8.600) 10.150 13.068 ( -6.240 0.000 -1.039) 6.326 13.349 ( 10.122 0.000 -4.389) 11.033 13.457 ( -1.264 0.000 -0.671) 1.431 13.646 ( 3.236 0.000 -2.348) 3.998 13.824 ( 0.782 0.000 -8.988) 9.022 14.025 ( 4.518 0.000 11.538) 12.391 14.471 ( -19.045 0.000 -2.930) 19.269 14.975 ( -3.288 0.000 17.247) 17.558 15.176 ( -6.987 0.000 8.102) 10.699 15.209 ( 3.197 0.000 -7.551) 8.200 15.577 ( -12.138 0.000 9.926) 15.680 15.893 ( 1.446 0.000 -11.941) 12.028 16.270 ( -3.594 0.000 -0.270) 3.604 16.422 ( -2.237 0.000 1.988) 2.993 16.518 ( 2.964 0.000 -11.022) 11.414 16.632 ( 9.724 0.000 4.863) 10.872 16.758 ( -16.420 0.000 -10.304) 19.385 17.094 ( -16.090 0.000 -2.329) 16.258 17.169 ( -21.497 0.000 3.886) 21.846 17.327 ( 4.392 0.000 -2.301) 4.958 17.482 ( -0.967 0.000 1.417) 1.716 17.510 ( -0.844 0.000 3.537) 3.637 17.715 ( -7.742 0.000 -5.258) 9.359 18.366 ( -0.310 0.000 -6.249) 6.257 18.440 ( -1.094 0.000 10.403) 10.461 18.525 ( 15.252 0.000 0.313) 15.255 18.632 ( 10.516 0.000 -1.513) 10.624 18.764 ( 2.771 0.000 4.884) 5.615 18.879 ( 4.005 0.000 10.911) 11.623 19.025 ( 8.262 0.000 -2.941) 8.769 19.238 ( -3.852 0.000 5.581) 6.781 19.302 ( 1.728 0.000 -6.080) 6.320 19.395 ( 0.174 0.000 3.582) 3.586 19.494 ( 3.086 0.000 -2.790) 4.160 19.673 ( -3.187 0.000 3.601) 4.809 19.782 ( 0.789 0.000 -2.767) 2.877 19.798 ( -0.731 0.000 -6.527) 6.568 19.879 ( -0.609 0.000 5.320) 5.355 20.218 ( -4.695 0.000 0.193) 4.699 20.271 ( -0.527 0.000 -2.766) 2.816 20.624 ( -5.765 0.000 -0.924) 5.838 20.734 ( 3.416 0.000 -3.514) 4.901 20.844 ( -5.626 0.000 7.983) 9.766 21.196 ( 6.220 0.000 -2.590) 6.738 21.924 ( -5.818 0.000 0.755) 5.867 22.064 ( 0.007 0.000 0.109) 0.110 22.137 ( -1.482 0.000 -1.914) 2.421 22.289 ( 4.552 0.000 -0.015) 4.552 22.955 ( -21.706 0.000 -3.629) 22.007 23.018 ( -19.604 0.000 -2.502) 19.763 23.759 ( -21.515 0.000 -6.838) 22.575 23.861 ( -24.798 0.000 -2.178) 24.894 24.367 ( 16.289 0.000 -1.108) 16.327 24.406 ( 16.177 0.000 -1.370) 16.235 25.390 ( 19.331 0.000 15.050) 24.499 25.690 ( 27.799 0.000 -0.395) 27.802 25.968 ( 7.240 0.000 -13.326) 15.166 25.973 ( -3.095 0.000 21.469) 21.691 26.656 ( -2.416 0.000 -0.483) 2.463 26.712 ( -0.907 0.000 -0.329) 0.965 27.102 ( -4.585 0.000 0.986) 4.690 27.342 ( 7.541 0.000 3.774) 8.433 27.611 ( -1.848 0.000 -5.233) 5.550 27.719 ( -1.804 0.000 -1.516) 2.356 27.886 ( 1.857 0.000 -7.954) 8.168 27.989 ( 5.225 0.000 10.457) 11.690 28.505 ( -1.670 0.000 -8.530) 8.692 28.583 ( -2.621 0.000 2.472) 3.603 28.627 ( -3.551 0.000 8.137) 8.879 28.856 ( 6.503 0.000 -4.930) 8.160 29.247 ( 5.391 0.000 1.250) 5.534 29.279 ( 8.218 0.000 -0.955) 8.273 29.685 ( 11.625 0.000 -0.646) 11.643 29.737 ( 12.826 0.000 5.215) 13.845 30.296 ( 1.994 0.000 9.528) 9.734 30.440 ( 14.072 0.000 -15.859) 21.202 31.723 ( -9.713 0.000 4.547) 10.724 31.852 ( -1.364 0.000 -7.310) 7.436 32.312 ( -14.840 0.000 9.273) 17.499 32.446 ( -7.633 0.000 3.084) 8.233 32.736 ( 1.575 0.000 -0.616) 1.692 32.859 ( 6.089 0.000 -3.428) 6.988 33.127 ( -1.712 0.000 -13.077) 13.188 33.289 ( 0.609 0.000 -4.681) 4.721 33.857 ( -11.069 0.000 6.548) 12.861 34.025 ( -4.811 0.000 -2.440) 5.394 34.139 ( -1.366 0.000 2.872) 3.181 34.243 ( 4.685 0.000 -0.129) 4.687 38.104 ( -7.823 0.000 2.365) 8.173 38.115 ( -7.332 0.000 -1.072) 7.410 38.458 ( 3.829 0.000 1.157) 4.000 38.483 ( 0.440 0.000 1.308) 1.380 38.769 ( 4.134 0.000 -3.182) 5.216 38.875 ( -1.636 0.000 2.323) 2.841 39.098 ( -1.164 0.000 1.662) 2.029 39.189 ( -4.962 0.000 -0.173) 4.965 39.207 ( 6.926 0.000 -4.472) 8.244 39.370 ( 5.670 0.000 0.090) 5.671 39.492 ( -12.138 0.000 -10.833) 16.269 39.925 ( 2.169 0.000 7.592) 7.896 40.593 ( 1.616 0.000 -13.734) 13.829 40.616 ( -9.260 0.000 4.899) 10.476 40.773 ( 0.700 0.000 8.965) 8.992 40.903 ( 4.730 0.000 -3.201) 5.711 40.922 ( 0.064 0.000 4.191) 4.191 41.033 ( -0.585 0.000 7.837) 7.859 41.556 ( -1.603 0.000 -3.215) 3.592 41.669 ( 2.214 0.000 6.928) 7.273 41.965 ( 2.844 0.000 -4.784) 5.566 42.166 ( 11.315 0.000 6.618) 13.108 42.750 ( -15.880 0.000 -4.348) 16.465 43.198 ( 7.654 0.000 -12.878) 14.981 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 2.817 0.000 -18.795) 19.005 2.400 ( 6.597 0.000 -22.480) 23.428 2.420 ( 22.006 0.000 8.354) 23.538 2.668 ( 5.111 0.000 -3.847) 6.397 2.834 ( 11.442 0.000 -2.155) 11.643 2.958 ( 5.407 0.000 3.130) 6.248 2.986 ( 11.384 0.000 0.626) 11.401 3.141 ( -0.570 0.000 18.015) 18.024 3.299 ( 0.120 0.000 2.242) 2.245 3.354 ( 0.301 0.000 -6.317) 6.324 3.398 ( 1.281 0.000 -2.238) 2.579 3.575 ( 1.679 0.000 2.659) 3.145 3.700 ( -0.100 0.000 -3.843) 3.845 3.770 ( 13.901 0.000 -9.229) 16.686 3.941 ( -7.296 0.000 -4.579) 8.614 4.115 ( -2.426 0.000 10.662) 10.934 4.263 ( -0.115 0.000 -8.310) 8.311 4.337 ( 3.301 0.000 12.261) 12.698 4.383 ( 4.856 0.000 4.502) 6.622 4.660 ( 1.292 0.000 12.549) 12.615 4.778 ( 8.762 0.000 -2.767) 9.189 5.045 ( 10.894 0.000 3.662) 11.493 5.062 ( 2.221 0.000 -15.292) 15.453 5.154 ( 9.333 0.000 -0.137) 9.334 5.248 ( -10.851 0.000 -6.342) 12.569 5.303 ( -5.074 0.000 8.890) 10.236 5.426 ( -0.301 0.000 6.045) 6.052 5.507 ( 4.555 0.000 3.886) 5.987 5.532 ( 2.250 0.000 -8.323) 8.622 5.584 ( 3.892 0.000 1.081) 4.039 5.635 ( 0.606 0.000 -8.364) 8.386 5.669 ( 4.841 0.000 -3.395) 5.913 6.063 ( 3.173 0.000 7.756) 8.380 6.174 ( -1.640 0.000 5.856) 6.081 6.484 ( -9.526 0.000 4.389) 10.489 6.681 ( 2.325 0.000 2.306) 3.274 6.853 ( 8.618 0.000 -3.116) 9.164 6.870 ( 1.121 0.000 -2.660) 2.887 7.036 ( -3.796 0.000 0.622) 3.846 7.282 ( -10.278 0.000 -10.002) 14.342 7.302 ( -7.835 0.000 1.871) 8.055 7.460 ( -2.670 0.000 1.089) 2.884 7.573 ( 1.467 0.000 5.215) 5.417 7.655 ( 1.569 0.000 -1.311) 2.045 7.685 ( 3.072 0.000 -1.362) 3.360 7.786 ( 0.844 0.000 8.891) 8.931 8.097 ( -4.601 0.000 -7.939) 9.176 8.196 ( 7.355 0.000 -3.878) 8.314 8.890 ( 3.043 0.000 0.846) 3.158 9.086 ( 6.338 0.000 2.913) 6.976 9.242 ( 8.223 0.000 -3.025) 8.762 9.286 ( 9.628 0.000 7.197) 12.021 9.936 ( -1.233 0.000 2.155) 2.483 9.949 ( 9.975 0.000 -4.481) 10.935 10.236 ( 7.852 0.000 0.668) 7.880 10.561 ( 11.218 0.000 9.821) 14.909 10.595 ( 3.089 0.000 -5.174) 6.026 10.611 ( 5.598 0.000 0.057) 5.599 11.253 ( -3.367 0.000 -0.478) 3.401 11.419 ( -1.004 0.000 -1.329) 1.666 11.637 ( -9.024 0.000 4.314) 10.002 11.781 ( -2.289 0.000 4.519) 5.066 12.039 ( 8.773 0.000 -1.792) 8.954 12.201 ( 2.690 0.000 -0.526) 2.741 12.429 ( -3.067 0.000 -9.869) 10.335 12.434 ( -6.602 0.000 -4.053) 7.746 12.740 ( 2.422 0.000 4.155) 4.810 12.778 ( 0.312 0.000 -0.587) 0.665 12.966 ( -2.096 0.000 -3.005) 3.664 13.465 ( 0.434 0.000 0.952) 1.047 13.545 ( 9.632 0.000 -1.359) 9.727 13.663 ( 0.515 0.000 -3.489) 3.527 13.866 ( 10.016 0.000 -12.102) 15.709 14.053 ( -22.139 0.000 -0.666) 22.149 14.192 ( 6.839 0.000 10.393) 12.442 14.832 ( -19.302 0.000 12.352) 22.916 14.954 ( -18.132 0.000 11.529) 21.487 15.208 ( -2.091 0.000 -2.258) 3.077 15.463 ( -5.599 0.000 -0.644) 5.636 15.746 ( -10.415 0.000 -6.652) 12.358 16.196 ( -4.801 0.000 0.943) 4.893 16.248 ( -17.562 0.000 6.716) 18.802 16.306 ( -13.247 0.000 -8.030) 15.491 16.636 ( 7.834 0.000 -18.096) 19.719 16.658 ( -17.806 0.000 -1.110) 17.841 16.739 ( -8.035 0.000 12.896) 15.194 17.115 ( 15.908 0.000 -5.936) 16.980 17.355 ( 0.573 0.000 -3.763) 3.807 17.382 ( -7.071 0.000 2.299) 7.435 17.580 ( 6.150 0.000 3.372) 7.014 17.706 ( 9.210 0.000 -11.777) 14.951 18.426 ( 8.937 0.000 -7.511) 11.674 18.493 ( -5.797 0.000 22.243) 22.986 18.600 ( -2.580 0.000 -2.170) 3.371 18.807 ( 6.086 0.000 -3.316) 6.931 18.855 ( 4.172 0.000 2.079) 4.661 18.903 ( -8.827 0.000 15.104) 17.494 19.136 ( 4.356 0.000 -1.098) 4.493 19.318 ( 9.276 0.000 5.330) 10.698 19.319 ( 2.771 0.000 -2.914) 4.021 19.449 ( 0.498 0.000 8.202) 8.217 19.520 ( 2.804 0.000 -7.676) 8.172 19.683 ( 1.425 0.000 4.848) 5.053 19.739 ( -0.238 0.000 -8.369) 8.372 19.767 ( -1.303 0.000 -0.629) 1.447 19.880 ( -1.324 0.000 2.697) 3.005 20.099 ( -7.712 0.000 0.005) 7.712 20.234 ( -1.861 0.000 -3.120) 3.633 20.487 ( -5.197 0.000 -1.090) 5.311 20.750 ( 0.045 0.000 -7.104) 7.104 20.893 ( 4.182 0.000 9.200) 10.105 21.230 ( -0.373 0.000 -2.165) 2.197 21.836 ( -2.983 0.000 -0.267) 2.995 22.029 ( -3.741 0.000 -0.009) 3.741 22.114 ( -0.500 0.000 -0.606) 0.786 22.348 ( 0.034 0.000 -0.574) 0.575 22.532 ( -16.601 0.000 -1.384) 16.658 22.601 ( -18.688 0.000 -6.692) 19.850 23.325 ( -26.840 0.000 0.574) 26.846 23.339 ( -17.157 0.000 -7.094) 18.566 24.658 ( 13.522 0.000 -2.293) 13.715 24.702 ( 13.206 0.000 -0.336) 13.210 25.877 ( 18.997 0.000 15.026) 24.221 25.924 ( 6.370 0.000 -18.793) 19.843 26.032 ( -2.452 0.000 19.432) 19.587 26.312 ( 21.975 0.000 10.889) 24.525 26.656 ( 2.450 0.000 5.042) 5.606 26.681 ( -1.446 0.000 -1.687) 2.222 27.038 ( -2.583 0.000 1.262) 2.875 27.469 ( -4.754 0.000 0.581) 4.789 27.572 ( 10.905 0.000 -10.050) 14.829 27.629 ( -3.655 0.000 -5.530) 6.628 27.913 ( 3.228 0.000 -4.726) 5.723 28.150 ( 2.626 0.000 13.255) 13.512 28.411 ( -2.428 0.000 -9.766) 10.064 28.564 ( -7.015 0.000 8.374) 10.924 28.608 ( 6.290 0.000 -2.721) 6.853 28.922 ( 3.060 0.000 -2.408) 3.894 29.441 ( 11.204 0.000 4.061) 11.918 29.457 ( 9.486 0.000 -2.127) 9.722 29.975 ( 17.351 0.000 1.771) 17.441 30.122 ( 21.984 0.000 7.078) 23.095 30.465 ( 9.638 0.000 8.220) 12.667 30.662 ( 17.051 0.000 -16.038) 23.408 31.527 ( -11.646 0.000 2.289) 11.869 31.701 ( -9.129 0.000 -10.522) 13.930 32.012 ( -21.131 0.000 11.038) 23.840 32.245 ( -15.361 0.000 8.666) 17.637 32.811 ( 6.391 0.000 -3.306) 7.196 32.950 ( 5.249 0.000 -5.783) 7.809 33.034 ( -0.408 0.000 -13.727) 13.733 33.199 ( -5.853 0.000 -4.388) 7.315 33.757 ( -3.850 0.000 8.172) 9.033 33.924 ( -4.035 0.000 -1.862) 4.444 34.104 ( -3.813 0.000 4.608) 5.981 34.252 ( -2.272 0.000 -3.564) 4.227 38.005 ( -3.622 0.000 2.735) 4.538 38.012 ( -2.589 0.000 0.590) 2.656 38.382 ( -7.133 0.000 -3.046) 7.757 38.487 ( -0.842 0.000 -1.873) 2.054 38.788 ( -7.611 0.000 2.148) 7.909 38.855 ( -0.021 0.000 -0.455) 0.456 39.061 ( -3.872 0.000 3.601) 5.287 39.191 ( 6.609 0.000 2.160) 6.953 39.223 ( -7.021 0.000 -9.623) 11.912 39.338 ( 7.113 0.000 -6.862) 9.883 39.514 ( 7.178 0.000 5.186) 8.855 39.954 ( -1.073 0.000 1.350) 1.725 40.471 ( -6.711 0.000 2.352) 7.111 40.561 ( 1.576 0.000 -11.603) 11.710 40.749 ( -5.593 0.000 8.133) 9.870 40.873 ( -6.620 0.000 -2.581) 7.105 41.054 ( 2.198 0.000 -2.422) 3.271 41.062 ( 5.754 0.000 13.883) 15.028 41.508 ( -1.747 0.000 0.987) 2.007 41.792 ( 4.697 0.000 14.017) 14.783 42.032 ( 7.559 0.000 -11.493) 13.756 42.417 ( -8.894 0.000 -12.014) 14.948 42.476 ( 9.810 0.000 12.027) 15.520 43.223 ( 2.808 0.000 -15.002) 15.263 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 4.874 0.000 -9.309) 10.507 2.288 ( -3.282 0.000 -16.307) 16.634 2.645 ( 1.424 0.000 5.586) 5.765 2.708 ( -0.495 0.000 0.941) 1.063 3.082 ( 5.017 0.000 3.460) 6.095 3.106 ( 11.324 0.000 -7.939) 13.830 3.195 ( 4.155 0.000 4.616) 6.210 3.200 ( 3.137 0.000 4.212) 5.252 3.334 ( 2.101 0.000 -4.180) 4.678 3.400 ( -2.880 0.000 -1.399) 3.202 3.441 ( 10.574 0.000 4.221) 11.386 3.527 ( -3.996 0.000 8.550) 9.438 3.680 ( -0.088 0.000 -6.366) 6.367 3.775 ( -5.536 0.000 -4.537) 7.158 3.952 ( 9.293 0.000 -6.941) 11.599 4.090 ( -4.282 0.000 15.570) 16.148 4.228 ( 2.903 0.000 -5.462) 6.186 4.466 ( 4.496 0.000 4.084) 6.074 4.529 ( 3.972 0.000 5.630) 6.890 4.749 ( -6.583 0.000 -0.333) 6.592 4.872 ( -9.091 0.000 2.160) 9.344 4.935 ( 6.632 0.000 -6.803) 9.501 5.042 ( 5.647 0.000 -14.630) 15.682 5.188 ( 2.376 0.000 2.864) 3.721 5.208 ( -2.332 0.000 2.526) 3.438 5.285 ( -0.856 0.000 5.123) 5.194 5.415 ( -9.107 0.000 7.811) 11.998 5.483 ( -5.976 0.000 -10.946) 12.471 5.527 ( 4.053 0.000 5.189) 6.584 5.581 ( 3.514 0.000 -3.884) 5.238 5.831 ( 8.775 0.000 0.659) 8.800 5.872 ( 13.987 0.000 -1.358) 14.053 6.224 ( 1.451 0.000 8.857) 8.975 6.235 ( 6.878 0.000 7.057) 9.854 6.338 ( -4.311 0.000 -3.168) 5.350 6.566 ( -8.937 0.000 0.249) 8.940 6.828 ( -10.114 0.000 7.331) 12.492 6.887 ( -8.849 0.000 -4.489) 9.923 7.049 ( 6.076 0.000 -2.514) 6.576 7.181 ( 8.334 0.000 -1.322) 8.438 7.235 ( -5.213 0.000 -0.180) 5.216 7.501 ( 12.664 0.000 -8.026) 14.993 7.648 ( 2.273 0.000 4.726) 5.244 7.662 ( -4.792 0.000 -0.208) 4.797 7.728 ( 6.359 0.000 -5.432) 8.363 7.864 ( 1.103 0.000 12.418) 12.466 8.103 ( 10.828 0.000 -14.167) 17.831 8.313 ( 2.208 0.000 2.655) 3.453 8.981 ( 6.468 0.000 -0.124) 6.470 9.171 ( 0.106 0.000 3.168) 3.170 9.368 ( 6.721 0.000 -3.381) 7.523 9.435 ( 2.381 0.000 6.405) 6.833 9.938 ( 2.393 0.000 -0.040) 2.393 10.130 ( 5.972 0.000 -1.670) 6.201 10.369 ( 6.092 0.000 0.230) 6.097 10.575 ( -1.672 0.000 -2.327) 2.865 10.736 ( 5.782 0.000 3.126) 6.573 10.816 ( 8.660 0.000 0.167) 8.662 11.185 ( -2.531 0.000 2.113) 3.297 11.362 ( -4.204 0.000 -3.106) 5.227 11.525 ( -2.391 0.000 4.304) 4.924 11.752 ( -4.023 0.000 4.230) 5.838 12.194 ( 4.732 0.000 -2.137) 5.192 12.213 ( -1.480 0.000 -2.354) 2.780 12.346 ( 2.186 0.000 0.552) 2.255 12.378 ( 6.414 0.000 -11.055) 12.781 12.734 ( -6.052 0.000 4.762) 7.701 12.755 ( -3.480 0.000 -0.283) 3.491 13.007 ( 7.627 0.000 -0.412) 7.638 13.406 ( -6.657 0.000 -0.139) 6.659 13.543 ( -13.758 0.000 1.161) 13.807 13.619 ( -5.633 0.000 0.964) 5.715 13.792 ( 2.073 0.000 -3.501) 4.068 14.035 ( 9.862 0.000 -11.037) 14.802 14.389 ( 7.370 0.000 8.081) 10.937 14.519 ( -16.065 0.000 8.829) 18.332 14.697 ( -4.212 0.000 1.198) 4.379 15.057 ( -13.803 0.000 5.667) 14.921 15.287 ( -7.449 0.000 -12.437) 14.497 15.455 ( -17.673 0.000 1.137) 17.709 15.993 ( -8.913 0.000 9.611) 13.108 16.109 ( -5.065 0.000 -4.755) 6.947 16.138 ( -0.996 0.000 3.350) 3.495 16.367 ( -10.226 0.000 -1.947) 10.410 16.677 ( 4.447 0.000 -14.099) 14.783 16.700 ( -3.246 0.000 6.992) 7.708 17.291 ( -0.235 0.000 0.496) 0.549 17.295 ( -2.828 0.000 2.107) 3.526 17.498 ( 20.766 0.000 -13.718) 24.888 17.769 ( 8.446 0.000 5.668) 10.171 17.895 ( 16.287 0.000 -13.155) 20.936 18.383 ( -11.028 0.000 17.446) 20.640 18.496 ( -15.424 0.000 8.095) 17.419 18.551 ( 4.440 0.000 -10.478) 11.379 18.779 ( -1.452 0.000 12.592) 12.676 18.807 ( 0.236 0.000 -4.278) 4.285 19.021 ( 5.075 0.000 6.993) 8.641 19.192 ( 1.061 0.000 -3.113) 3.289 19.343 ( 0.687 0.000 -2.879) 2.960 19.458 ( -4.735 0.000 9.275) 10.414 19.542 ( 4.515 0.000 -9.476) 10.497 19.544 ( 9.242 0.000 4.253) 10.174 19.706 ( -3.084 0.000 4.399) 5.372 19.713 ( 2.117 0.000 -7.100) 7.409 19.768 ( 2.140 0.000 -0.563) 2.213 19.857 ( -2.846 0.000 1.940) 3.445 19.969 ( -2.675 0.000 1.894) 3.278 20.155 ( -4.528 0.000 -4.417) 6.325 20.448 ( 1.474 0.000 -1.637) 2.203 20.648 ( -6.137 0.000 -5.714) 8.385 21.048 ( 5.125 0.000 10.483) 11.669 21.202 ( -0.478 0.000 -3.679) 3.710 21.808 ( 0.424 0.000 -1.195) 1.268 21.927 ( -6.089 0.000 0.879) 6.152 22.083 ( -4.034 0.000 1.663) 4.363 22.182 ( -9.806 0.000 -2.138) 10.036 22.316 ( -3.870 0.000 -8.419) 9.266 22.424 ( -1.868 0.000 -0.505) 1.935 22.915 ( -15.241 0.000 7.747) 17.097 23.030 ( -10.556 0.000 -8.128) 13.323 24.853 ( 8.106 0.000 -3.440) 8.806 24.888 ( 5.452 0.000 1.657) 5.698 25.938 ( 5.504 0.000 -16.876) 17.751 26.022 ( -5.363 0.000 13.171) 14.221 26.257 ( 10.168 0.000 14.976) 18.102 26.588 ( -3.317 0.000 3.539) 4.850 26.746 ( 12.373 0.000 3.137) 12.764 26.827 ( 10.029 0.000 10.332) 14.399 27.005 ( -1.257 0.000 -1.490) 1.949 27.298 ( -7.908 0.000 -8.457) 11.579 27.574 ( 1.834 0.000 -5.203) 5.516 27.772 ( 5.195 0.000 -1.280) 5.350 27.909 ( 4.237 0.000 -10.714) 11.521 28.190 ( -5.595 0.000 12.957) 14.113 28.361 ( 3.242 0.000 -9.442) 9.983 28.472 ( -6.498 0.000 8.460) 10.667 28.776 ( 10.511 0.000 -2.743) 10.863 28.954 ( 0.498 0.000 0.107) 0.510 29.606 ( 6.761 0.000 -2.170) 7.101 29.634 ( 5.269 0.000 3.982) 6.604 30.363 ( 19.273 0.000 6.539) 20.352 30.576 ( 18.917 0.000 6.496) 20.002 30.719 ( 12.673 0.000 4.658) 13.502 30.876 ( 9.955 0.000 -15.078) 18.068 31.351 ( -4.374 0.000 -2.487) 5.032 31.418 ( -12.679 0.000 -12.073) 17.508 31.643 ( -20.803 0.000 13.440) 24.767 31.956 ( -18.279 0.000 6.939) 19.551 32.921 ( 6.735 0.000 -5.934) 8.976 32.978 ( 0.381 0.000 -6.360) 6.371 32.984 ( 1.472 0.000 -6.738) 6.897 33.082 ( -5.082 0.000 3.265) 6.041 33.761 ( 0.422 0.000 4.607) 4.627 33.855 ( -2.323 0.000 -1.341) 2.682 34.059 ( -3.535 0.000 7.260) 8.075 34.153 ( -3.964 0.000 -7.208) 8.227 37.991 ( 0.538 0.000 2.890) 2.939 38.022 ( 2.391 0.000 2.031) 3.137 38.234 ( -5.392 0.000 -3.332) 6.339 38.392 ( -7.130 0.000 -4.704) 8.542 38.674 ( -3.911 0.000 3.608) 5.321 38.770 ( -5.003 0.000 -3.543) 6.130 39.035 ( -1.152 0.000 3.462) 3.648 39.091 ( -2.246 0.000 -6.733) 7.097 39.360 ( 4.979 0.000 10.268) 11.411 39.429 ( 6.078 0.000 -9.741) 11.482 39.682 ( 6.137 0.000 7.619) 9.783 39.913 ( -2.184 0.000 -4.352) 4.869 40.398 ( -2.354 0.000 3.834) 4.499 40.512 ( -1.963 0.000 -7.882) 8.122 40.687 ( -5.412 0.000 10.653) 11.949 40.713 ( -3.909 0.000 -8.851) 9.676 41.090 ( 4.013 0.000 -6.997) 8.066 41.173 ( -2.071 0.000 10.146) 10.355 41.572 ( 6.702 0.000 8.947) 11.179 41.943 ( -0.019 0.000 15.441) 15.441 42.105 ( 6.767 0.000 -16.161) 17.521 42.149 ( -7.861 0.000 -11.642) 14.047 42.778 ( 10.030 0.000 15.876) 18.779 43.158 ( -1.053 0.000 -15.794) 15.829 ======================= Grid point 130 (68/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -5.250 0.000 -3.323) 6.213 2.151 ( 5.250 0.000 3.323) 6.213 2.677 ( 2.253 0.000 -2.002) 3.014 2.677 ( -2.253 0.000 2.002) 3.014 3.171 ( -0.020 0.000 -8.087) 8.087 3.171 ( 0.020 0.000 8.087) 8.087 3.265 ( -2.254 0.000 -4.651) 5.168 3.265 ( 2.254 0.000 4.651) 5.168 3.323 ( -0.442 0.000 -4.048) 4.072 3.323 ( 0.442 0.000 4.048) 4.072 3.531 ( 1.461 0.000 -2.137) 2.588 3.531 ( -1.461 0.000 2.137) 2.588 3.685 ( -1.746 0.000 -3.543) 3.950 3.685 ( 1.746 0.000 3.543) 3.950 4.100 ( 5.781 0.000 -13.508) 14.693 4.100 ( -5.781 0.000 13.508) 14.693 4.371 ( -14.619 0.000 -8.909) 17.119 4.371 ( 14.619 0.000 8.909) 17.119 4.556 ( 2.279 0.000 -1.245) 2.597 4.556 ( -2.279 0.000 1.245) 2.597 4.922 ( 0.083 0.000 -10.005) 10.006 4.922 ( -0.083 0.000 10.005) 10.006 5.184 ( 11.394 0.000 -13.273) 17.493 5.184 ( -11.394 0.000 13.273) 17.493 5.264 ( -4.197 0.000 -1.829) 4.579 5.264 ( 4.197 0.000 1.829) 4.579 5.312 ( -3.270 0.000 -9.217) 9.780 5.312 ( 3.270 0.000 9.217) 9.780 5.603 ( -0.148 0.000 -4.181) 4.183 5.603 ( 0.148 0.000 4.181) 4.183 5.971 ( -2.685 0.000 -3.107) 4.106 5.971 ( 2.685 0.000 3.107) 4.106 6.267 ( 1.167 0.000 -4.086) 4.250 6.267 ( -1.167 0.000 4.086) 4.250 6.411 ( -7.001 0.000 0.229) 7.004 6.411 ( 7.001 0.000 -0.229) 7.004 6.735 ( -0.322 0.000 -6.081) 6.090 6.735 ( 0.322 0.000 6.081) 6.090 7.124 ( -5.218 0.000 1.689) 5.485 7.124 ( 5.218 0.000 -1.689) 5.485 7.432 ( -12.253 0.000 -1.469) 12.341 7.432 ( 12.253 0.000 1.469) 12.341 7.674 ( 2.389 0.000 -4.285) 4.906 7.674 ( -2.389 0.000 4.285) 4.906 7.875 ( 9.128 0.000 -12.731) 15.665 7.875 ( -9.128 0.000 12.731) 15.665 8.261 ( 10.267 0.000 -11.166) 15.169 8.261 ( -10.267 0.000 11.166) 15.169 9.117 ( 6.863 0.000 -2.854) 7.433 9.117 ( -6.863 0.000 2.854) 7.433 9.455 ( 3.534 0.000 -5.031) 6.148 9.455 ( -3.534 0.000 5.031) 6.148 10.063 ( -8.561 0.000 -2.036) 8.800 10.063 ( 8.561 0.000 2.036) 8.800 10.495 ( -5.665 0.000 -0.882) 5.733 10.495 ( 5.665 0.000 0.882) 5.733 10.850 ( -2.702 0.000 -5.059) 5.735 10.850 ( 2.702 0.000 5.059) 5.735 11.234 ( -5.286 0.000 -3.858) 6.545 11.234 ( 5.286 0.000 3.858) 6.545 11.629 ( -8.797 0.000 -0.813) 8.834 11.629 ( 8.797 0.000 0.813) 8.834 12.189 ( 1.174 0.000 -1.676) 2.046 12.189 ( -1.175 0.000 1.676) 2.046 12.478 ( 0.139 0.000 -4.687) 4.689 12.478 ( -0.139 0.000 4.687) 4.689 12.640 ( 0.291 0.000 -5.655) 5.662 12.640 ( -0.291 0.000 5.655) 5.662 13.215 ( -11.644 0.000 -1.902) 11.799 13.215 ( 11.644 0.000 1.902) 11.799 13.444 ( -5.213 0.000 -0.905) 5.291 13.444 ( 5.213 0.000 0.905) 5.291 13.942 ( -12.200 0.000 1.134) 12.252 13.942 ( 12.200 0.000 -1.134) 12.252 14.467 ( 3.787 0.000 -1.953) 4.261 14.467 ( -3.787 0.000 1.953) 4.261 14.825 ( 12.674 0.000 -7.496) 14.725 14.825 ( -12.674 0.000 7.496) 14.725 15.182 ( 8.047 0.000 -11.324) 13.892 15.182 ( -8.047 0.000 11.324) 13.892 15.996 ( -2.547 0.000 -6.959) 7.411 15.996 ( 2.547 0.000 6.959) 7.411 16.209 ( -4.818 0.000 -4.774) 6.783 16.209 ( 4.818 0.000 4.774) 6.783 16.681 ( 2.768 0.000 -8.651) 9.083 16.681 ( -2.768 0.000 8.651) 9.083 17.280 ( -0.052 0.000 -0.820) 0.822 17.280 ( 0.052 0.000 0.820) 0.822 17.788 ( 13.451 0.000 -13.480) 19.043 17.788 ( -13.451 0.000 13.480) 19.043 18.181 ( 19.473 0.000 -11.961) 22.853 18.181 ( -19.473 0.000 11.961) 22.853 18.421 ( -7.510 0.000 -7.229) 10.423 18.421 ( 7.510 0.000 7.229) 10.423 18.835 ( 3.673 0.000 -15.450) 15.881 18.835 ( -3.673 0.000 15.450) 15.881 19.136 ( -3.398 0.000 -5.490) 6.456 19.136 ( 3.398 0.000 5.490) 6.456 19.372 ( 5.785 0.000 -4.565) 7.370 19.372 ( -5.785 0.000 4.565) 7.370 19.593 ( 4.522 0.000 -5.520) 7.136 19.593 ( -4.522 0.000 5.520) 7.136 19.711 ( -0.159 0.000 -5.144) 5.147 19.711 ( 0.159 0.000 5.144) 5.147 19.821 ( -2.036 0.000 0.274) 2.054 19.821 ( 2.036 0.000 -0.274) 2.054 20.024 ( -4.629 0.000 -6.496) 7.976 20.024 ( 4.629 0.000 6.496) 7.976 20.511 ( -5.257 0.000 -0.601) 5.292 20.511 ( 5.257 0.000 0.601) 5.292 21.162 ( -1.372 0.000 -7.720) 7.841 21.162 ( 1.372 0.000 7.720) 7.841 21.838 ( -3.256 0.000 0.975) 3.399 21.838 ( 3.256 0.000 -0.975) 3.399 22.048 ( -2.569 0.000 -0.197) 2.577 22.048 ( 2.569 0.000 0.197) 2.577 22.335 ( -5.634 0.000 1.463) 5.821 22.335 ( 5.634 0.000 -1.463) 5.821 22.852 ( -1.955 0.000 -10.498) 10.678 22.852 ( 1.955 0.000 10.498) 10.678 24.934 ( 1.898 0.000 -3.227) 3.744 24.934 ( -1.898 0.000 3.227) 3.744 25.972 ( 6.609 0.000 -14.854) 16.258 25.972 ( -6.609 0.000 14.854) 16.258 26.473 ( -6.723 0.000 -6.494) 9.347 26.473 ( 6.723 0.000 6.494) 9.347 26.937 ( -4.863 0.000 -3.752) 6.142 26.937 ( 4.863 0.000 3.752) 6.142 27.085 ( -9.473 0.000 -9.604) 13.490 27.085 ( 9.473 0.000 9.604) 13.490 27.662 ( -8.162 0.000 0.281) 8.167 27.662 ( 8.162 0.000 -0.281) 8.167 28.076 ( 12.309 0.000 -11.394) 16.773 28.076 ( -12.309 0.000 11.394) 16.773 28.405 ( 5.362 0.000 -8.958) 10.440 28.405 ( -5.362 0.000 8.958) 10.440 28.922 ( -4.915 0.000 1.625) 5.176 28.922 ( 4.915 0.000 -1.625) 5.176 29.681 ( 1.839 0.000 -2.510) 3.112 29.681 ( -1.839 0.000 2.510) 3.112 30.708 ( -8.742 0.000 -10.448) 13.623 30.708 ( 8.742 0.000 10.448) 13.623 30.939 ( 0.367 0.000 -0.185) 0.411 30.939 ( -0.367 0.000 0.185) 0.411 31.200 ( 5.326 0.000 -8.000) 9.611 31.200 ( -5.326 0.000 8.000) 9.611 31.639 ( -14.155 0.000 -0.783) 14.176 31.639 ( 14.155 0.000 0.783) 14.176 32.963 ( 1.424 0.000 -2.051) 2.497 32.963 ( -1.424 0.000 2.051) 2.497 33.016 ( 4.201 0.000 -2.583) 4.931 33.016 ( -4.201 0.000 2.583) 4.931 33.807 ( -2.041 0.000 -1.901) 2.789 33.807 ( 2.041 0.000 1.901) 2.789 34.064 ( -0.132 0.000 -8.724) 8.725 34.064 ( 0.132 0.000 8.724) 8.725 38.041 ( -2.044 0.000 -2.415) 3.164 38.041 ( 2.044 0.000 2.415) 3.164 38.223 ( -5.762 0.000 -3.115) 6.550 38.223 ( 5.762 0.000 3.115) 6.550 38.678 ( -1.857 0.000 -3.704) 4.143 38.678 ( 1.857 0.000 3.704) 4.143 39.044 ( 0.023 0.000 -4.418) 4.418 39.044 ( -0.023 0.000 4.418) 4.418 39.452 ( 1.716 0.000 -12.126) 12.247 39.452 ( -1.716 0.000 12.126) 12.247 39.822 ( -3.950 0.000 -7.750) 8.699 39.822 ( 3.950 0.000 7.750) 8.699 40.422 ( -2.303 0.000 -5.179) 5.668 40.422 ( 2.303 0.000 5.179) 5.668 40.660 ( 3.184 0.000 -11.893) 12.312 40.660 ( -3.184 0.000 11.893) 12.312 41.138 ( 4.915 0.000 -8.085) 9.462 41.138 ( -4.915 0.000 8.085) 9.462 41.806 ( -10.111 0.000 -11.163) 15.061 41.806 ( 10.111 0.000 11.163) 15.061 42.110 ( 2.688 0.000 -16.354) 16.574 42.110 ( -2.688 0.000 16.354) 16.574 43.013 ( -5.375 0.000 -16.220) 17.087 43.013 ( 5.375 0.000 16.220) 17.087 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -6.225 4.566 -12.579) 14.759 1.869 ( 6.225 4.566 12.579) 14.759 2.237 ( 1.018 -1.101 -7.649) 7.794 2.237 ( -1.018 -1.101 7.649) 7.794 2.676 ( -4.643 -7.474 -5.832) 10.557 2.676 ( 4.643 -7.474 5.832) 10.557 2.977 ( 1.172 -1.648 -4.277) 4.731 2.977 ( -1.172 -1.648 4.277) 4.731 3.161 ( -4.453 3.183 -10.659) 11.982 3.161 ( 4.453 3.183 10.659) 11.982 3.436 ( -2.612 2.969 -8.106) 9.019 3.436 ( 2.612 2.969 8.106) 9.019 3.627 ( -0.066 3.278 -13.039) 13.445 3.627 ( 0.066 3.278 13.039) 13.445 3.961 ( -6.108 -3.994 -3.396) 8.049 3.961 ( 6.108 -3.994 3.396) 8.049 4.315 ( -1.231 3.664 -7.655) 8.575 4.315 ( 1.231 3.664 7.655) 8.575 4.511 ( 0.142 -0.732 -4.674) 4.733 4.511 ( -0.142 -0.732 4.674) 4.733 4.713 ( -2.148 2.934 -2.152) 4.226 4.713 ( 2.148 2.934 2.152) 4.226 5.024 ( -1.265 -4.190 -7.388) 8.587 5.024 ( 1.265 -4.190 7.388) 8.587 5.190 ( -1.659 1.167 -2.418) 3.156 5.190 ( 1.659 1.167 2.418) 3.156 5.407 ( 0.414 -3.922 -6.557) 7.652 5.407 ( -0.414 -3.922 6.557) 7.652 5.535 ( 0.571 1.960 -6.539) 6.850 5.535 ( -0.571 1.960 6.539) 6.850 5.701 ( 0.043 0.066 -5.513) 5.513 5.701 ( -0.043 0.066 5.513) 5.513 6.316 ( 10.413 3.627 -7.534) 13.355 6.316 ( -10.413 3.627 7.534) 13.355 6.448 ( -4.285 -1.097 -5.451) 7.020 6.448 ( 4.285 -1.097 5.451) 7.020 6.935 ( -2.773 -1.846 -3.231) 4.641 6.935 ( 2.773 -1.846 3.231) 4.641 7.168 ( -2.753 -6.995 -3.202) 8.170 7.168 ( 2.753 -6.995 3.202) 8.170 7.527 ( -4.773 4.925 -3.100) 7.527 7.527 ( 4.773 4.925 3.100) 7.527 7.696 ( -1.957 1.969 -4.290) 5.110 7.696 ( 1.957 1.969 4.290) 5.110 7.831 ( -0.155 6.705 -8.945) 11.180 7.831 ( 0.155 6.705 8.945) 11.180 8.208 ( -4.378 -7.944 -6.818) 11.347 8.208 ( 4.378 -7.944 6.818) 11.347 8.850 ( -0.983 1.865 -3.009) 3.674 8.850 ( 0.983 1.865 3.009) 3.674 8.906 ( 1.244 -1.885 -2.680) 3.505 8.906 ( -1.244 -1.885 2.680) 3.505 9.924 ( -1.699 2.802 -7.015) 7.743 9.924 ( 1.699 2.802 7.015) 7.743 10.046 ( -3.687 -1.465 -7.689) 8.652 10.046 ( 3.687 -1.465 7.689) 8.652 10.564 ( 0.567 1.563 -4.402) 4.706 10.564 ( -0.567 1.563 4.402) 4.706 11.308 ( 0.563 -4.541 -2.728) 5.327 11.308 ( -0.563 -4.541 2.728) 5.327 11.866 ( 3.182 1.869 -3.158) 4.857 11.866 ( -3.182 1.869 3.158) 4.857 11.980 ( -8.630 -0.999 0.035) 8.688 11.980 ( 8.630 -0.999 -0.035) 8.688 12.490 ( -2.040 -3.746 -6.362) 7.660 12.490 ( 2.040 -3.746 6.362) 7.660 12.803 ( 3.864 7.109 -5.518) 9.794 12.803 ( -3.864 7.109 5.518) 9.794 13.174 ( -2.184 -1.973 -2.228) 3.691 13.174 ( 2.184 -1.973 2.228) 3.691 13.585 ( -5.396 2.782 -4.226) 7.397 13.585 ( 5.396 2.782 4.226) 7.397 13.851 ( -3.864 -3.807 -10.128) 11.489 13.851 ( 3.864 -3.807 10.128) 11.489 14.706 ( -5.193 -6.476 -4.726) 9.552 14.706 ( 5.193 -6.476 4.726) 9.552 15.313 ( 7.919 8.158 -6.941) 13.321 15.313 ( -7.919 8.158 6.941) 13.321 15.767 ( 12.047 -3.413 -9.205) 15.541 15.767 ( -12.047 -3.413 9.205) 15.541 16.373 ( -3.093 1.910 -0.223) 3.642 16.373 ( 3.093 1.910 0.223) 3.642 16.563 ( 5.250 3.729 -8.526) 10.684 16.563 ( -5.250 3.729 8.526) 10.684 16.995 ( -9.207 -7.821 -2.099) 12.262 16.995 ( 9.207 -7.821 2.099) 12.262 17.399 ( 0.296 -0.521 -3.429) 3.481 17.399 ( -0.296 -0.521 3.429) 3.481 17.546 ( 3.277 6.397 -3.875) 8.166 17.546 ( -3.277 6.397 3.875) 8.166 18.040 ( -16.393 -4.598 -1.535) 17.094 18.040 ( 16.393 -4.598 1.535) 17.094 18.462 ( 2.486 -0.050 -5.166) 5.733 18.462 ( -2.486 -0.050 5.166) 5.733 18.560 ( -6.705 1.528 -2.665) 7.376 18.560 ( 6.705 1.528 2.665) 7.376 18.884 ( 4.441 -0.359 -3.254) 5.517 18.884 ( -4.441 -0.359 3.254) 5.517 19.297 ( 0.818 0.340 -5.469) 5.540 19.297 ( -0.818 0.340 5.469) 5.540 19.472 ( -3.645 3.970 -3.196) 6.266 19.472 ( 3.645 3.970 3.196) 6.266 19.702 ( 3.679 -3.335 -3.892) 6.310 19.702 ( -3.679 -3.335 3.892) 6.310 19.789 ( -1.041 -4.272 -4.999) 6.658 19.789 ( 1.041 -4.272 4.999) 6.658 20.296 ( 1.071 1.489 -1.314) 2.256 20.296 ( -1.071 1.489 1.314) 2.256 20.718 ( -0.412 2.192 -0.211) 2.240 20.718 ( 0.412 2.192 0.211) 2.240 21.008 ( 3.375 -0.840 -1.994) 4.009 21.008 ( -3.375 -0.840 1.994) 4.009 22.047 ( -3.053 1.779 0.397) 3.555 22.047 ( 3.053 1.779 -0.397) 3.555 22.176 ( -2.737 -1.747 -0.621) 3.305 22.176 ( 2.737 -1.747 0.621) 3.305 23.254 ( -1.037 0.611 -1.950) 2.291 23.254 ( 1.037 0.611 1.950) 2.291 24.081 ( 4.386 -1.813 -2.558) 5.391 24.081 ( -4.386 -1.813 2.558) 5.391 24.217 ( -5.493 2.264 -1.306) 6.083 24.217 ( 5.493 2.264 1.306) 6.083 25.201 ( -2.101 -1.464 -2.119) 3.324 25.201 ( 2.101 -1.464 2.119) 3.324 26.042 ( 3.434 7.623 -12.611) 15.131 26.042 ( -3.434 7.623 12.611) 15.131 26.696 ( 0.041 -1.455 -1.746) 2.273 26.696 ( -0.041 -1.455 1.746) 2.273 27.130 ( -4.231 -5.213 -1.145) 6.811 27.130 ( 4.231 -5.213 1.145) 6.811 27.584 ( -1.966 -4.291 -2.041) 5.143 27.584 ( 1.966 -4.291 2.041) 5.143 28.039 ( 0.766 7.102 -3.957) 8.166 28.039 ( -0.766 7.102 3.957) 8.166 28.475 ( -1.464 -4.973 -4.458) 6.837 28.475 ( 1.464 -4.973 4.458) 6.837 28.829 ( -6.341 6.465 -0.025) 9.056 28.829 ( 6.341 6.465 0.025) 9.056 29.183 ( 0.337 -1.789 -0.975) 2.065 29.183 ( -0.337 -1.789 0.975) 2.065 29.653 ( -0.016 6.516 -6.200) 8.994 29.653 ( 0.016 6.516 6.200) 8.994 30.167 ( 5.531 -10.736 -12.369) 17.287 30.167 ( -5.531 -10.736 12.369) 17.287 31.835 ( 3.497 -0.489 -3.726) 5.133 31.835 ( -3.497 -0.489 3.726) 5.133 32.479 ( 3.199 0.212 -2.734) 4.214 32.479 ( -3.199 0.212 2.734) 4.214 32.793 ( 1.946 2.050 -2.887) 4.040 32.793 ( -1.946 2.050 2.887) 4.040 33.211 ( -2.919 -1.566 -1.911) 3.825 33.211 ( 2.919 -1.566 1.911) 3.825 34.104 ( -1.324 0.707 -1.507) 2.127 34.104 ( 1.324 0.707 1.507) 2.127 34.151 ( -1.835 3.855 -1.303) 4.464 34.151 ( 1.835 3.855 1.303) 4.464 38.242 ( 0.133 0.571 -0.347) 0.681 38.242 ( -0.133 0.571 0.347) 0.681 38.367 ( 1.394 -0.813 -1.531) 2.225 38.367 ( -1.394 -0.813 1.531) 2.225 38.814 ( -2.994 0.292 -2.517) 3.923 38.814 ( 2.994 0.292 2.517) 3.923 39.084 ( -1.269 -4.697 -1.976) 5.251 39.084 ( 1.269 -4.697 1.976) 5.251 39.360 ( -1.026 7.237 -1.926) 7.559 39.360 ( 1.026 7.237 1.926) 7.559 39.715 ( -6.439 -4.818 -9.469) 12.423 39.715 ( 6.439 -4.818 9.469) 12.423 40.654 ( 0.818 0.048 -12.489) 12.516 40.654 ( -0.818 0.048 12.489) 12.516 40.759 ( -0.910 -1.403 -4.102) 4.429 40.759 ( 0.910 -1.403 4.102) 4.429 41.049 ( -0.819 4.943 -7.905) 9.359 41.049 ( 0.819 4.943 7.905) 9.359 41.561 ( -1.745 -3.240 -4.529) 5.836 41.561 ( 1.745 -3.240 4.529) 5.836 42.027 ( -2.386 2.448 -0.784) 3.507 42.027 ( 2.386 2.448 0.784) 3.507 42.993 ( 9.655 -3.747 -4.124) 11.148 42.993 ( -9.655 -3.747 4.124) 11.148 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 19.822 4.229 -11.907) 23.507 1.978 ( 12.219 -2.338 -12.719) 17.791 2.403 ( 9.751 0.326 -0.405) 9.765 2.497 ( 14.769 4.806 7.051) 17.057 2.617 ( 0.722 -9.394 -0.786) 9.454 2.780 ( 1.398 -0.008 -2.275) 2.670 2.950 ( 0.296 -4.188 -6.436) 7.684 3.070 ( 4.245 2.486 1.517) 5.148 3.206 ( 11.848 0.690 5.972) 13.286 3.336 ( -1.615 -1.380 -7.821) 8.104 3.371 ( 9.327 -2.150 5.174) 10.880 3.504 ( 3.354 6.296 2.380) 7.521 3.595 ( 3.240 0.312 -7.315) 8.007 3.679 ( -0.989 -0.503 1.789) 2.105 3.970 ( 9.534 2.058 2.389) 10.042 4.120 ( 7.005 -0.854 4.345) 8.287 4.201 ( -5.410 2.701 -5.874) 8.430 4.299 ( -5.105 1.379 7.221) 8.950 4.548 ( 2.956 4.302 0.402) 5.235 4.592 ( 3.394 0.380 4.028) 5.280 4.652 ( -1.489 1.180 4.196) 4.606 4.809 ( 5.525 2.152 -2.011) 6.261 4.972 ( 3.960 -3.303 1.185) 5.291 5.092 ( 0.826 -8.597 -5.687) 10.341 5.175 ( -0.708 2.082 3.550) 4.176 5.249 ( 4.005 -1.073 -0.099) 4.147 5.373 ( 0.648 -3.441 -0.418) 3.526 5.477 ( 2.650 -3.351 0.985) 4.384 5.521 ( 3.568 0.527 -5.894) 6.910 5.567 ( 0.711 0.965 0.011) 1.199 5.647 ( -1.753 2.377 -4.481) 5.367 5.723 ( -0.230 0.664 0.232) 0.740 6.161 ( -8.853 6.151 7.609) 13.195 6.319 ( -6.522 3.789 -0.873) 7.593 6.474 ( 8.437 -1.514 -4.560) 9.709 6.520 ( -0.600 -4.719 6.869) 8.356 6.865 ( -0.752 3.999 -5.224) 6.622 6.935 ( -4.325 -0.071 2.022) 4.775 7.100 ( -2.135 -4.099 1.294) 4.800 7.236 ( 1.321 -10.765 1.903) 11.011 7.393 ( -5.781 1.273 -2.270) 6.340 7.571 ( -5.109 2.826 3.670) 6.896 7.638 ( -5.529 3.524 -3.946) 7.652 7.655 ( -0.713 2.166 -4.351) 4.913 7.768 ( 0.859 0.553 4.397) 4.514 7.822 ( -6.103 4.768 2.588) 8.165 8.083 ( -3.893 -2.713 -2.498) 5.363 8.235 ( -2.838 -4.720 0.662) 5.547 8.864 ( 3.209 1.967 -1.860) 4.198 8.942 ( 7.103 0.215 -0.684) 7.139 9.006 ( 9.220 -0.451 6.334) 11.195 9.050 ( 10.445 -2.245 1.092) 10.739 9.888 ( 2.611 2.976 -7.451) 8.437 9.996 ( 3.028 4.162 1.236) 5.294 10.066 ( 6.783 -0.593 1.263) 6.925 10.238 ( 10.299 -3.006 8.470) 13.669 10.571 ( 1.904 2.431 0.241) 3.097 10.592 ( 1.392 1.471 1.075) 2.293 11.257 ( -2.873 -3.955 -1.318) 5.062 11.325 ( 0.627 -6.845 -3.184) 7.575 11.814 ( -8.118 1.086 2.188) 8.477 11.820 ( -3.469 0.790 3.485) 4.980 11.920 ( 3.990 1.282 -2.246) 4.755 12.128 ( 5.965 -2.418 0.176) 6.439 12.411 ( -2.306 -1.809 -4.983) 5.781 12.571 ( 1.884 -3.103 4.588) 5.850 12.752 ( -2.130 5.665 3.035) 6.771 12.848 ( 1.281 5.768 -5.064) 7.782 13.079 ( -2.846 2.975 -4.258) 5.923 13.338 ( 10.863 -1.678 -2.504) 11.274 13.456 ( -2.788 0.463 -3.461) 4.468 13.641 ( -1.227 -4.022 -4.608) 6.239 13.762 ( 0.658 -0.571 -6.273) 6.333 13.982 ( 4.129 -4.483 8.968) 10.843 14.513 ( -11.541 3.746 1.481) 12.224 14.829 ( 1.881 -10.557 5.275) 11.950 15.166 ( -11.447 3.943 11.925) 16.994 15.318 ( -9.795 2.004 2.794) 10.381 15.638 ( -1.992 5.653 3.779) 7.086 15.878 ( 2.260 -2.141 -8.914) 9.442 16.298 ( -2.910 2.976 -1.190) 4.329 16.388 ( -3.444 0.727 -3.578) 5.019 16.548 ( 2.041 -5.278 5.627) 7.981 16.615 ( -5.982 -1.489 -5.595) 8.325 16.750 ( -2.400 4.664 -11.499) 12.639 17.074 ( -14.160 -2.715 -3.164) 14.761 17.165 ( -19.180 0.140 3.129) 19.434 17.246 ( 2.966 -5.373 -2.518) 6.633 17.514 ( -2.892 2.384 1.751) 4.137 17.582 ( 0.911 2.358 -2.182) 3.340 17.757 ( -8.654 6.511 2.088) 11.029 18.240 ( 2.781 -9.856 -2.790) 10.614 18.472 ( 0.749 2.356 10.134) 10.431 18.567 ( 12.241 1.183 -2.870) 12.629 18.625 ( 6.909 0.554 1.894) 7.185 18.745 ( 6.772 -1.947 3.457) 7.849 18.892 ( 1.996 1.519 8.274) 8.646 18.991 ( 4.779 -2.320 -1.522) 5.526 19.251 ( -1.518 1.290 -1.733) 2.640 19.307 ( -0.172 -0.183 3.001) 3.012 19.418 ( 1.035 2.293 -4.728) 5.356 19.537 ( 0.765 2.576 1.403) 3.031 19.654 ( -0.526 -1.256 0.906) 1.635 19.735 ( 0.635 -2.946 -4.774) 5.646 19.760 ( 0.611 -2.470 -1.408) 2.908 19.835 ( 0.994 -4.043 4.051) 5.809 20.225 ( -5.417 0.798 0.472) 5.496 20.265 ( -4.058 -0.391 -1.175) 4.243 20.715 ( -0.356 5.559 -2.370) 6.054 20.744 ( 2.524 0.825 -2.155) 3.420 20.859 ( -6.329 2.469 7.144) 9.858 21.133 ( 3.657 -5.413 -1.404) 6.682 21.971 ( -4.325 3.831 0.321) 5.786 22.071 ( -0.415 0.352 -0.188) 0.576 22.137 ( -0.723 0.122 -1.699) 1.850 22.242 ( 3.246 -3.891 -0.535) 5.095 22.971 ( -21.123 1.396 -3.839) 21.514 23.022 ( -19.580 -0.036 -2.537) 19.744 23.775 ( -22.411 1.337 -6.514) 23.376 23.846 ( -24.670 -1.316 -2.781) 24.861 24.362 ( 16.351 -0.116 -0.628) 16.364 24.395 ( 15.596 -1.025 -2.115) 15.772 25.424 ( 20.939 3.231 13.280) 25.004 25.631 ( 25.382 -4.725 7.576) 26.907 26.057 ( 1.932 8.292 0.275) 8.519 26.093 ( 2.469 7.532 7.219) 10.721 26.675 ( -0.453 0.748 -1.664) 1.880 26.690 ( -0.936 -1.925 -0.056) 2.141 27.025 ( -4.433 -4.590 0.101) 6.382 27.232 ( 5.113 -9.911 -3.909) 11.818 27.526 ( -1.838 -0.136 2.114) 2.805 27.686 ( 4.852 -5.646 1.229) 7.545 27.995 ( -2.051 9.025 -3.546) 9.912 28.107 ( 4.164 5.822 3.419) 7.933 28.443 ( 0.527 -2.495 -4.461) 5.138 28.547 ( 1.590 -5.149 6.870) 8.731 28.694 ( -5.430 6.296 -2.336) 8.636 28.870 ( -0.528 -0.176 -3.440) 3.485 29.247 ( 8.202 0.454 0.308) 8.221 29.282 ( 8.050 -0.139 -1.368) 8.167 29.747 ( 11.811 5.960 -2.598) 13.482 29.800 ( 11.156 5.362 7.161) 14.299 30.203 ( 4.934 -7.570 6.543) 11.156 30.308 ( 13.891 -10.925 -10.644) 20.630 31.732 ( -8.577 1.084 2.841) 9.100 31.825 ( -2.919 -2.201 -4.510) 5.806 32.338 ( -12.965 2.307 6.681) 14.766 32.441 ( -8.153 -1.004 3.879) 9.085 32.770 ( 1.102 2.850 -0.234) 3.064 32.856 ( 4.856 -0.381 -3.814) 6.186 33.135 ( -1.575 1.083 -8.405) 8.619 33.259 ( 1.539 -2.940 -6.020) 6.874 33.904 ( -11.356 3.707 3.357) 12.409 34.014 ( -6.109 -1.023 -1.635) 6.406 34.174 ( -0.351 3.164 1.194) 3.400 34.266 ( 3.116 1.103 -0.299) 3.319 38.113 ( -7.678 0.664 1.835) 7.922 38.120 ( -7.302 0.384 -0.849) 7.362 38.452 ( 4.138 -0.233 1.460) 4.394 38.484 ( 2.823 -0.255 1.241) 3.094 38.715 ( -3.051 -2.942 -2.802) 5.081 38.844 ( -1.976 -2.999 -1.350) 3.837 39.042 ( 1.589 -1.628 -0.141) 2.279 39.202 ( 6.668 -1.559 -2.890) 7.432 39.321 ( -1.544 6.078 -0.196) 6.274 39.408 ( 2.933 6.813 0.343) 7.425 39.499 ( -9.287 -0.403 -6.214) 11.182 39.833 ( 1.379 -7.832 7.073) 10.643 40.595 ( -2.793 0.219 -5.624) 6.283 40.613 ( -3.339 -0.221 -3.644) 4.947 40.784 ( 1.404 0.873 8.367) 8.528 40.845 ( 3.367 -2.431 3.283) 5.294 40.971 ( -2.156 2.384 -4.548) 5.569 41.063 ( -3.284 1.018 3.685) 5.040 41.548 ( 1.296 0.201 1.102) 1.712 41.641 ( 2.387 -1.948 7.137) 7.774 42.026 ( 2.791 4.031 -2.492) 5.500 42.147 ( 8.783 -1.759 5.432) 10.476 42.788 ( -9.864 3.968 -5.120) 11.801 43.112 ( 6.219 -7.415 -10.752) 14.466 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 6.652 1.636 -15.609) 17.046 2.431 ( 5.587 2.403 -7.502) 9.658 2.529 ( 13.147 2.094 -2.493) 13.544 2.616 ( 11.492 -8.023 0.599) 14.028 2.819 ( 9.348 3.813 6.851) 12.201 2.848 ( 11.321 -2.859 -3.851) 12.295 2.979 ( 3.181 -8.095 -1.290) 8.792 3.106 ( 1.727 5.938 -1.636) 6.397 3.302 ( -0.350 -0.100 0.815) 0.892 3.349 ( 1.834 -4.238 4.417) 6.390 3.470 ( 0.869 0.671 0.764) 1.338 3.492 ( -4.756 -1.908 -3.356) 6.125 3.695 ( 7.213 3.117 -2.799) 8.342 3.846 ( 12.784 3.228 -2.808) 13.481 4.013 ( -5.155 5.243 -8.095) 10.936 4.114 ( -1.616 -0.223 3.901) 4.228 4.265 ( 0.375 2.522 1.917) 3.190 4.346 ( 8.884 -1.467 7.744) 11.876 4.501 ( -4.957 9.228 2.730) 10.825 4.667 ( 2.307 0.490 9.542) 9.829 4.743 ( 7.361 -2.804 -0.003) 7.877 4.970 ( -8.611 -11.031 -4.265) 14.629 5.041 ( 14.664 -0.103 -0.890) 14.692 5.116 ( 1.817 -1.115 -4.681) 5.144 5.200 ( 7.685 2.454 2.411) 8.420 5.346 ( 4.238 -5.755 -0.432) 7.160 5.438 ( 3.157 -0.060 7.121) 7.790 5.502 ( -3.171 6.232 1.095) 7.077 5.550 ( 3.663 -2.939 -2.389) 5.269 5.588 ( 3.338 -0.089 -8.121) 8.781 5.626 ( -1.128 2.313 1.498) 2.977 5.690 ( 2.262 1.925 -5.696) 6.424 6.103 ( 0.682 4.264 5.075) 6.664 6.234 ( -2.806 4.197 7.104) 8.715 6.462 ( -5.134 -2.688 2.354) 6.255 6.597 ( 2.058 -6.714 1.700) 7.225 6.826 ( -1.617 0.368 -0.352) 1.696 6.907 ( -1.678 0.791 1.811) 2.592 7.065 ( -2.326 1.755 -0.848) 3.035 7.183 ( -1.944 -7.069 0.602) 7.356 7.292 ( -4.697 1.066 -5.578) 7.369 7.477 ( 0.515 0.144 -1.080) 1.206 7.610 ( 0.382 2.189 -0.933) 2.410 7.647 ( 0.331 0.138 -2.197) 2.226 7.695 ( -3.175 1.008 0.626) 3.389 7.823 ( 3.044 -1.464 0.946) 3.508 8.030 ( -0.885 0.200 -0.218) 0.933 8.211 ( 2.434 -1.383 -1.788) 3.322 8.930 ( 4.006 3.491 -0.173) 5.316 9.081 ( 6.148 -1.272 0.747) 6.322 9.212 ( 8.422 -0.873 2.610) 8.861 9.274 ( 9.539 -1.465 3.558) 10.285 9.949 ( 5.248 4.173 -2.362) 7.109 10.089 ( 6.795 6.876 0.007) 9.667 10.221 ( 6.887 -0.012 2.207) 7.232 10.485 ( 10.308 -5.346 4.832) 12.577 10.608 ( 0.063 2.008 2.155) 2.946 10.668 ( 7.417 2.405 0.366) 7.806 11.179 ( -4.498 -4.908 -1.867) 6.914 11.307 ( 0.110 -8.566 -4.195) 9.538 11.682 ( -7.118 3.227 3.809) 8.694 11.777 ( -3.198 -0.648 4.204) 5.322 12.013 ( 6.419 -0.179 -0.800) 6.471 12.207 ( 2.966 -5.368 -2.468) 6.611 12.356 ( -0.910 4.118 -2.786) 5.054 12.550 ( -5.607 2.130 -1.789) 6.259 12.768 ( 2.273 1.907 0.822) 3.079 12.806 ( -2.839 2.134 -1.998) 4.075 12.992 ( -1.954 4.257 -5.557) 7.268 13.416 ( -5.485 -5.989 -0.869) 8.168 13.538 ( 8.853 -0.549 -1.232) 8.955 13.607 ( 5.795 -6.329 -8.469) 12.057 13.787 ( 3.529 3.144 -2.355) 5.281 14.100 ( 4.189 -6.287 3.868) 8.488 14.296 ( -10.160 12.777 3.815) 16.764 14.760 ( -13.556 -7.259 5.805) 16.436 14.966 ( -16.569 1.671 12.765) 20.982 15.107 ( -9.613 -5.022 4.830) 11.873 15.600 ( -5.728 7.903 -3.366) 10.325 15.745 ( -10.877 -0.270 -6.178) 12.512 16.187 ( -10.166 0.224 0.590) 10.186 16.255 ( -11.518 -0.003 -0.728) 11.541 16.297 ( -9.308 0.346 -4.299) 10.259 16.616 ( -11.686 -8.775 8.717) 17.017 16.664 ( -6.616 1.746 -7.436) 10.105 16.685 ( -3.881 0.546 -3.177) 5.045 17.125 ( 13.947 2.901 -8.596) 16.638 17.326 ( 1.963 -1.777 -1.944) 3.285 17.448 ( -2.312 2.802 -1.391) 3.890 17.620 ( 6.707 -6.192 -8.985) 12.808 17.732 ( 5.680 12.695 3.653) 14.380 18.315 ( 7.861 -9.717 -4.210) 13.189 18.526 ( -7.669 2.627 22.487) 23.904 18.643 ( -3.857 2.289 0.994) 4.594 18.762 ( 4.899 -2.290 1.000) 5.499 18.869 ( 2.375 0.143 -1.949) 3.075 18.922 ( -2.726 1.721 6.106) 6.904 19.056 ( 6.415 -6.358 3.797) 9.797 19.277 ( 3.232 0.866 0.976) 3.485 19.371 ( 5.660 0.036 1.214) 5.788 19.441 ( 2.189 1.041 -1.597) 2.902 19.540 ( 0.608 -0.342 -2.006) 2.124 19.689 ( 1.941 0.886 -0.046) 2.134 19.716 ( 1.068 -1.020 -5.035) 5.247 19.762 ( -0.416 -0.186 0.706) 0.840 19.862 ( -0.047 -1.945 2.320) 3.028 20.105 ( -7.438 0.396 0.206) 7.451 20.166 ( -3.811 -3.608 -1.335) 5.415 20.643 ( -4.091 10.518 -2.957) 11.667 20.765 ( 0.491 1.254 -5.272) 5.441 20.889 ( 3.549 -0.055 8.269) 8.999 21.143 ( -1.099 -7.255 -0.423) 7.350 21.899 ( -2.677 4.908 -0.763) 5.642 22.037 ( -2.691 0.277 -0.341) 2.726 22.119 ( -1.092 0.684 -0.553) 1.402 22.273 ( -0.218 -5.729 -0.934) 5.809 22.547 ( -18.771 1.671 -2.245) 18.979 22.618 ( -17.062 0.356 -5.534) 17.940 23.303 ( -23.455 -0.737 -3.815) 23.775 23.340 ( -21.021 -0.784 -4.380) 21.486 24.657 ( 13.594 0.098 -1.756) 13.708 24.687 ( 13.540 -1.084 -0.919) 13.614 25.919 ( 18.063 3.339 16.065) 24.403 25.997 ( 6.147 2.889 1.407) 6.936 26.095 ( -0.271 7.213 6.846) 9.948 26.305 ( 17.108 -0.546 8.910) 19.297 26.677 ( -0.128 0.021 -0.357) 0.380 26.698 ( 4.005 2.851 1.590) 5.167 26.968 ( -1.330 -4.198 -0.376) 4.420 27.280 ( 3.982 -14.224 -10.060) 17.872 27.513 ( -2.490 3.469 3.223) 5.350 27.756 ( 0.962 -5.355 0.719) 5.488 27.944 ( 1.787 10.042 -8.138) 13.049 28.200 ( 2.441 1.226 3.949) 4.802 28.429 ( -1.053 2.178 -3.569) 4.312 28.548 ( -5.369 -1.541 8.010) 9.765 28.651 ( 4.213 3.806 -3.335) 6.584 28.871 ( 2.912 -4.439 -2.620) 5.920 29.445 ( 10.566 0.348 1.522) 10.680 29.459 ( 9.789 0.047 -1.284) 9.873 30.025 ( 16.625 4.458 0.992) 17.241 30.155 ( 19.380 2.347 7.678) 20.977 30.415 ( 13.263 -3.640 4.665) 14.523 30.572 ( 18.191 -7.407 -9.654) 21.885 31.541 ( -11.508 1.553 0.463) 11.621 31.665 ( -10.236 -2.891 -7.198) 12.843 32.062 ( -19.219 4.098 9.009) 21.618 32.229 ( -16.220 -1.883 8.902) 18.598 32.834 ( 5.772 2.043 -3.218) 6.917 32.931 ( 5.178 -1.556 -6.411) 8.386 33.059 ( -1.190 2.369 -9.849) 10.199 33.192 ( -4.027 -1.417 -7.041) 8.235 33.770 ( -4.925 1.740 6.631) 8.441 33.898 ( -4.767 -2.311 -0.389) 5.312 34.141 ( -3.433 3.134 1.808) 4.987 34.252 ( -3.032 -0.477 -3.277) 4.490 38.013 ( -3.390 0.599 1.757) 3.865 38.018 ( -2.706 0.459 0.955) 2.906 38.417 ( -6.802 3.143 -2.362) 7.856 38.495 ( -0.060 1.220 -1.549) 1.973 38.646 ( -5.640 -8.009 0.599) 9.814 38.773 ( -2.829 -8.479 -3.305) 9.530 39.085 ( -0.542 2.701 0.487) 2.797 39.237 ( -5.184 0.025 -7.727) 9.305 39.277 ( 4.693 6.251 3.362) 8.508 39.453 ( 5.601 8.055 -3.708) 10.488 39.498 ( 5.053 -0.807 6.756) 8.476 39.866 ( -0.100 -7.496 2.142) 7.797 40.472 ( -6.199 0.749 -0.863) 6.303 40.559 ( -0.776 -1.053 -8.139) 8.243 40.763 ( -5.598 1.512 5.960) 8.315 40.853 ( -6.746 -1.686 -2.055) 7.250 41.003 ( 5.346 -2.669 6.689) 8.969 41.036 ( 2.998 -2.661 -2.159) 4.553 41.557 ( -1.540 4.067 1.413) 4.573 41.751 ( 4.396 -3.557 6.449) 8.577 42.088 ( 3.875 5.793 1.177) 7.068 42.408 ( 11.864 -5.310 12.425) 17.981 42.592 ( -4.955 12.846 -11.999) 18.264 43.129 ( 2.484 -8.398 -13.893) 16.423 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 4.758 3.273 -8.688) 10.432 2.284 ( -5.419 -0.251 -10.186) 11.541 2.691 ( 3.261 2.551 3.738) 5.578 2.816 ( 4.413 4.441 -4.504) 7.712 2.908 ( -1.162 -11.426 4.953) 12.508 3.032 ( 4.319 -7.396 -6.567) 10.792 3.102 ( 5.776 0.944 -1.291) 5.993 3.195 ( 3.989 -0.205 -1.168) 4.161 3.353 ( 4.591 -2.563 11.347) 12.506 3.414 ( 4.081 0.130 5.183) 6.598 3.471 ( 5.361 0.991 -0.136) 5.454 3.501 ( 0.423 -1.388 4.965) 5.173 3.688 ( -2.873 4.786 -7.549) 9.389 3.835 ( -6.587 3.724 -8.495) 11.377 4.046 ( 7.741 5.593 -4.681) 10.636 4.120 ( 0.409 0.946 6.425) 6.508 4.288 ( 4.190 4.094 -2.542) 6.386 4.476 ( -0.050 0.366 8.303) 8.311 4.505 ( 1.397 -0.657 6.168) 6.358 4.726 ( -8.860 -3.612 -7.247) 12.003 4.798 ( 2.710 -2.452 10.930) 11.524 4.904 ( 9.444 -4.727 -3.493) 11.124 5.095 ( -1.064 5.788 -12.946) 14.221 5.193 ( 2.857 0.347 -4.899) 5.682 5.256 ( -6.244 2.362 5.927) 8.927 5.291 ( -0.308 -1.103 2.924) 3.140 5.409 ( -5.380 1.040 1.161) 5.601 5.469 ( -8.789 0.279 -5.307) 10.271 5.569 ( 4.489 3.055 4.821) 7.261 5.642 ( 3.892 3.878 -2.073) 5.872 5.772 ( 12.405 -5.097 0.816) 13.436 5.824 ( 8.543 -2.701 -2.679) 9.352 6.192 ( 3.186 0.136 4.685) 5.668 6.266 ( 0.154 0.100 7.176) 7.178 6.402 ( 0.263 4.216 -1.743) 4.569 6.555 ( -6.016 -2.112 3.695) 7.369 6.733 ( -7.888 -4.159 2.558) 9.277 6.854 ( -6.958 -3.285 0.565) 7.715 7.042 ( 5.722 -1.273 1.111) 5.966 7.185 ( -1.935 -2.215 -1.074) 3.131 7.289 ( 4.144 6.108 -2.321) 7.738 7.514 ( 5.962 -0.236 -5.370) 8.028 7.584 ( -2.744 -2.325 0.323) 3.611 7.678 ( -0.913 -1.244 -0.541) 1.635 7.722 ( 10.024 2.430 -5.186) 11.544 7.909 ( 2.741 0.430 4.035) 4.897 8.089 ( 9.373 0.846 -6.548) 11.465 8.281 ( 1.598 -3.196 3.943) 5.322 9.026 ( 6.333 3.852 -0.792) 7.455 9.168 ( 1.896 -0.731 1.528) 2.543 9.352 ( 5.653 -0.647 -0.915) 5.763 9.415 ( 2.795 -1.810 4.239) 5.390 10.028 ( 4.413 7.744 0.100) 8.914 10.246 ( 5.032 9.213 -0.307) 10.502 10.337 ( 5.567 -3.000 0.194) 6.327 10.565 ( -2.053 -1.554 -2.858) 3.847 10.703 ( 7.001 -1.560 6.398) 9.611 10.837 ( 7.327 -0.083 1.938) 7.579 11.081 ( -3.189 -5.896 -1.653) 6.904 11.274 ( -3.206 -7.341 -3.149) 8.607 11.594 ( -2.379 4.918 4.319) 6.964 11.740 ( -3.018 -1.235 3.412) 4.720 12.141 ( 5.369 -1.037 -0.404) 5.483 12.240 ( 2.157 -4.912 -0.959) 5.450 12.353 ( 1.433 5.706 -2.983) 6.596 12.416 ( -0.739 2.278 -7.586) 7.955 12.709 ( -6.168 -0.883 0.031) 6.231 12.779 ( -4.324 -0.249 0.084) 4.332 13.019 ( 7.159 1.773 -1.039) 7.448 13.274 ( -4.395 -8.817 -1.822) 10.019 13.555 ( -8.689 1.003 0.563) 8.764 13.629 ( -7.234 -0.524 0.802) 7.297 13.855 ( 5.280 6.288 -0.583) 8.232 14.145 ( 2.379 5.187 -5.524) 7.942 14.297 ( 4.821 -3.943 5.438) 8.268 14.515 ( -9.105 -2.350 2.325) 9.686 14.737 ( -5.785 3.557 4.319) 8.048 14.961 ( -9.225 -6.411 4.294) 12.027 15.356 ( -13.770 3.872 -6.854) 15.861 15.442 ( -17.686 -1.104 0.187) 17.722 16.009 ( -6.012 1.672 5.193) 8.119 16.110 ( -1.329 -1.404 0.686) 2.052 16.155 ( -6.508 2.973 -0.850) 7.205 16.338 ( -11.134 -2.787 -0.075) 11.477 16.633 ( 2.085 -2.184 -4.737) 5.617 16.679 ( -0.773 -2.561 -0.998) 2.855 17.292 ( 1.905 0.981 -2.414) 3.228 17.312 ( -1.388 0.944 -0.059) 1.680 17.544 ( 17.957 3.871 -11.138) 21.482 17.804 ( 16.786 -6.795 -12.044) 21.749 17.919 ( 7.039 11.661 4.992) 14.506 18.367 ( -8.368 -2.548 9.417) 12.853 18.442 ( -13.598 -3.414 14.775) 20.368 18.542 ( 2.567 -2.590 -1.123) 3.816 18.782 ( -5.125 0.244 1.145) 5.257 18.801 ( 1.108 0.677 0.813) 1.532 19.035 ( 5.276 1.321 5.535) 7.760 19.179 ( 4.209 -3.098 -1.802) 5.529 19.311 ( -1.073 0.305 -1.688) 2.023 19.451 ( -3.602 -1.491 4.839) 6.214 19.520 ( 6.523 -0.589 -0.645) 6.581 19.552 ( 4.584 -0.473 -3.864) 6.014 19.684 ( -0.666 -0.439 1.368) 1.584 19.727 ( 1.090 1.110 -4.483) 4.745 19.777 ( 1.743 0.018 1.514) 2.309 19.850 ( -2.350 -0.901 1.117) 2.754 19.990 ( -2.424 1.713 0.767) 3.066 20.100 ( -2.810 -3.466 -3.188) 5.484 20.572 ( -1.152 8.806 -2.674) 9.275 20.687 ( -5.005 2.979 -4.306) 7.243 21.021 ( 4.166 -2.052 8.679) 9.843 21.125 ( 0.011 -6.030 -1.553) 6.227 21.868 ( 0.344 4.658 -1.695) 4.969 21.968 ( -4.318 3.264 1.011) 5.506 22.059 ( -4.876 -1.595 1.192) 5.267 22.222 ( -11.867 2.699 -2.351) 12.395 22.245 ( -0.389 -5.112 -3.388) 6.145 22.401 ( -4.770 -2.612 -3.382) 6.404 22.914 ( -14.036 0.354 3.880) 14.567 23.001 ( -11.388 -2.420 -6.760) 13.463 24.857 ( 7.992 0.341 -2.572) 8.403 24.881 ( 6.275 -0.554 0.652) 6.333 26.002 ( 1.589 4.442 -7.642) 8.980 26.069 ( -6.341 2.591 12.889) 14.597 26.316 ( 12.333 6.323 9.331) 16.708 26.595 ( 0.555 -0.196 7.056) 7.080 26.733 ( 10.037 -0.571 0.979) 10.101 26.854 ( 8.546 -0.035 5.757) 10.305 26.961 ( 1.215 -0.508 -1.405) 1.926 27.288 ( -0.390 -4.942 -7.737) 9.189 27.442 ( -1.772 -3.176 -2.380) 4.347 27.702 ( -6.851 -8.573 -0.959) 11.016 28.018 ( 10.158 9.518 -9.550) 16.881 28.251 ( 0.152 1.874 3.592) 4.055 28.370 ( -1.513 1.684 -3.109) 3.846 28.468 ( -6.571 -0.659 8.379) 10.669 28.789 ( 9.067 1.471 -2.295) 9.468 28.919 ( 1.844 -3.016 -0.206) 3.541 29.609 ( 6.611 0.281 -1.439) 6.772 29.630 ( 5.558 -0.424 2.497) 6.108 30.391 ( 18.285 2.570 6.094) 19.444 30.549 ( 16.475 -2.766 6.998) 18.112 30.726 ( 14.727 1.251 1.149) 14.825 30.855 ( 13.066 -2.384 -9.920) 16.578 31.339 ( -6.163 -0.655 -3.215) 6.982 31.382 ( -12.880 -1.905 -8.384) 15.486 31.719 ( -19.563 5.480 9.817) 22.563 31.928 ( -18.802 -2.771 7.652) 20.488 32.933 ( 5.903 0.850 -4.255) 7.326 32.974 ( 2.708 -0.442 -7.275) 7.775 33.000 ( -0.625 1.634 -4.955) 5.254 33.082 ( -4.480 -0.392 -0.283) 4.506 33.760 ( 0.224 0.296 4.501) 4.516 33.833 ( -2.041 -1.856 0.283) 2.774 34.080 ( -3.766 1.738 3.761) 5.599 34.147 ( -4.363 -0.636 -5.623) 7.145 38.002 ( 0.960 0.869 2.343) 2.677 38.025 ( 2.281 0.125 1.800) 2.908 38.267 ( -6.098 3.021 -2.810) 7.363 38.394 ( -7.955 -0.034 -4.772) 9.276 38.577 ( -1.357 -5.522 3.629) 6.745 38.687 ( -3.660 -6.990 -4.779) 9.225 39.056 ( -1.295 2.366 2.105) 3.422 39.126 ( -2.667 0.642 -5.483) 6.131 39.423 ( 4.865 5.492 9.076) 11.671 39.522 ( 4.119 7.597 -7.243) 11.276 39.652 ( 5.454 -2.868 8.598) 10.578 39.854 ( -0.892 -5.313 -3.974) 6.694 40.378 ( -2.966 -0.804 1.077) 3.256 40.474 ( -4.346 -3.520 -4.854) 7.405 40.694 ( -3.763 0.723 4.083) 5.599 40.714 ( -3.500 -0.027 -5.015) 6.116 41.087 ( 4.739 -0.095 -4.481) 6.522 41.144 ( 1.693 -2.326 8.663) 9.128 41.555 ( 1.582 0.547 3.827) 4.177 41.789 ( -1.647 -9.346 -5.429) 10.933 42.205 ( 3.602 12.172 14.622) 19.364 42.457 ( -1.003 16.938 -16.403) 23.600 42.703 ( 9.297 -6.708 15.898) 19.600 43.067 ( -0.920 -8.340 -15.455) 17.586 ======================= Grid point 140 (73/78) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -3.726 1.332 -2.258) 4.556 2.154 ( 3.726 1.332 2.258) 4.556 2.769 ( -0.821 5.203 -0.767) 5.323 2.769 ( 0.821 5.203 0.767) 5.323 2.981 ( -1.399 -11.114 -6.189) 12.797 2.981 ( 1.399 -11.114 6.189) 12.797 3.179 ( 0.319 -1.515 -3.561) 3.883 3.179 ( -0.319 -1.515 3.561) 3.883 3.474 ( -1.203 -0.363 -4.064) 4.254 3.474 ( 1.203 -0.363 4.064) 4.254 3.549 ( -4.650 1.862 -7.313) 8.864 3.549 ( 4.650 1.862 7.313) 8.864 3.659 ( -6.107 3.493 -7.945) 10.612 3.659 ( 6.107 3.493 7.945) 10.612 4.136 ( 1.646 1.429 -9.372) 9.623 4.136 ( -1.646 1.429 9.372) 9.623 4.466 ( -12.297 5.742 -6.166) 14.907 4.466 ( 12.297 5.742 6.166) 14.907 4.514 ( -0.393 -2.247 -1.495) 2.727 4.514 ( 0.393 -2.247 1.495) 2.727 4.920 ( -4.079 0.952 -9.154) 10.067 4.920 ( 4.079 0.952 9.154) 10.067 5.133 ( -9.047 -4.890 -2.449) 10.572 5.133 ( 9.047 -4.890 2.449) 10.572 5.279 ( -0.045 0.179 -9.634) 9.636 5.279 ( 0.045 0.179 9.634) 9.636 5.323 ( -2.118 2.460 -7.675) 8.333 5.323 ( 2.118 2.460 7.675) 8.333 5.657 ( -0.229 3.856 -5.218) 6.492 5.657 ( 0.229 3.856 5.218) 6.492 5.904 ( 0.062 -5.367 -5.083) 7.393 5.904 ( -0.062 -5.367 5.083) 7.393 6.258 ( -1.334 -0.369 -1.512) 2.050 6.258 ( 1.334 -0.369 1.512) 2.050 6.454 ( -4.418 2.980 -0.405) 5.344 6.454 ( 4.418 2.980 0.405) 5.344 6.709 ( -3.788 -1.432 -3.311) 5.231 6.709 ( 3.788 -1.432 3.311) 5.231 7.135 ( -2.982 -1.159 0.083) 3.201 7.135 ( 2.982 -1.159 -0.083) 3.201 7.420 ( -8.650 0.591 -1.301) 8.767 7.420 ( 8.650 0.591 1.301) 8.767 7.639 ( -0.755 -2.616 -2.754) 3.873 7.639 ( 0.755 -2.616 2.754) 3.873 7.899 ( 7.229 2.048 -10.158) 12.634 7.899 ( -7.229 2.048 10.158) 12.634 8.246 ( 8.597 -1.485 -9.047) 12.569 8.246 ( -8.597 -1.485 9.047) 12.569 9.146 ( 2.545 2.454 -2.457) 4.305 9.146 ( -2.545 2.454 2.457) 4.305 9.430 ( 2.943 -2.057 -4.221) 5.542 9.430 ( -2.943 -2.057 4.221) 5.542 10.166 ( -8.546 8.533 -1.574) 12.178 10.166 ( 8.546 8.533 1.574) 12.178 10.473 ( -6.218 -2.227 -0.779) 6.650 10.473 ( 6.218 -2.227 0.779) 6.650 10.860 ( -4.456 1.255 -6.600) 8.061 10.860 ( 4.456 1.255 6.600) 8.061 11.129 ( -6.489 -8.497 -5.125) 11.856 11.129 ( 6.489 -8.497 5.125) 11.856 11.662 ( -4.085 2.514 -2.935) 5.624 11.662 ( 4.085 2.514 2.935) 5.624 12.205 ( -2.910 0.510 -0.212) 2.962 12.205 ( 2.910 0.510 0.212) 2.962 12.442 ( -2.292 -1.380 -1.566) 3.100 12.442 ( 2.292 -1.380 1.566) 3.100 12.634 ( -0.116 -1.258 -4.507) 4.681 12.634 ( 0.116 -1.258 4.507) 4.681 13.216 ( -9.253 0.460 -1.061) 9.325 13.216 ( 9.253 0.460 1.061) 9.325 13.417 ( -5.285 -2.095 -0.479) 5.705 13.417 ( 5.285 -2.095 0.479) 5.705 14.022 ( -9.707 6.111 -0.007) 11.470 14.022 ( 9.707 6.111 0.007) 11.470 14.432 ( -4.392 -3.074 -1.093) 5.471 14.432 ( 4.392 -3.074 1.093) 5.471 14.824 ( 7.886 -0.075 -5.446) 9.584 14.824 ( -7.886 -0.075 5.446) 9.584 15.179 ( 4.866 -0.250 -7.743) 9.148 15.179 ( -4.866 -0.250 7.743) 9.148 16.024 ( -3.177 2.568 -4.684) 6.215 16.024 ( 3.176 2.568 4.684) 6.215 16.177 ( -3.413 -2.821 -4.564) 6.359 16.177 ( 3.413 -2.821 4.564) 6.359 16.653 ( 1.870 -1.929 -5.903) 6.486 16.653 ( -1.870 -1.929 5.903) 6.486 17.294 ( 0.156 1.006 -1.016) 1.438 17.294 ( -0.156 1.006 1.016) 1.438 17.851 ( 16.038 5.041 -14.140) 21.968 17.851 ( -16.038 5.041 14.140) 21.968 18.112 ( 19.085 -5.448 -13.275) 23.878 18.112 ( -19.085 -5.448 13.275) 23.878 18.470 ( -6.981 4.291 -7.084) 10.832 18.470 ( 6.981 4.291 7.084) 10.832 18.792 ( 4.646 -4.158 -12.616) 14.073 18.792 ( -4.646 -4.158 12.616) 14.073 19.159 ( -4.156 2.041 -4.295) 6.316 19.159 ( 4.156 2.041 4.295) 6.316 19.331 ( 3.734 -3.251 -2.961) 5.769 19.331 ( -3.734 -3.251 2.961) 5.769 19.592 ( 2.737 0.050 -3.840) 4.716 19.592 ( -2.737 0.050 3.840) 4.716 19.716 ( -0.311 0.576 -4.002) 4.055 19.716 ( 0.311 0.576 4.002) 4.055 19.819 ( -0.691 -0.427 -0.790) 1.133 19.819 ( 0.691 -0.427 0.790) 1.133 20.015 ( -2.846 -0.572 -4.335) 5.218 20.015 ( 2.846 -0.572 4.335) 5.218 20.584 ( -0.785 5.546 -1.932) 5.925 20.584 ( 0.785 5.546 1.932) 5.925 21.107 ( -0.511 -4.202 -5.952) 7.304 21.107 ( 0.511 -4.202 5.952) 7.304 21.896 ( 3.258 4.691 -2.066) 6.074 21.896 ( -3.258 4.691 2.066) 6.074 22.042 ( -4.112 -0.661 -0.603) 4.208 22.042 ( 4.112 -0.661 0.603) 4.208 22.296 ( -4.858 -3.171 -0.017) 5.802 22.296 ( 4.858 -3.171 0.017) 5.802 22.833 ( -1.539 -1.388 -7.312) 7.600 22.833 ( 1.539 -1.388 7.312) 7.600 24.936 ( 1.316 0.161 -2.278) 2.635 24.936 ( -1.316 0.161 2.278) 2.635 26.014 ( 4.944 2.777 -10.875) 12.265 26.014 ( -4.944 2.777 10.875) 12.265 26.526 ( -5.312 4.962 -4.152) 8.371 26.526 ( 5.312 4.962 4.152) 8.371 26.895 ( -3.152 -3.995 -4.532) 6.814 26.895 ( 3.152 -3.995 4.532) 6.814 27.124 ( -9.799 3.833 -8.069) 13.260 27.124 ( 9.799 3.833 8.069) 13.260 27.526 ( -7.166 -9.706 -1.219) 12.126 27.526 ( 7.166 -9.706 1.219) 12.126 28.179 ( 9.383 6.894 -10.309) 15.551 28.179 ( -9.383 6.894 10.309) 15.551 28.393 ( 5.750 -1.276 -8.903) 10.675 28.393 ( -5.750 -1.276 8.903) 10.675 28.911 ( -3.506 -0.816 1.101) 3.765 28.911 ( 3.506 -0.816 -1.101) 3.765 29.680 ( 1.256 -0.095 -1.733) 2.143 29.680 ( -1.256 -0.095 1.733) 2.143 30.727 ( -9.262 1.840 -9.381) 13.311 30.727 ( 9.262 1.840 9.381) 13.311 30.885 ( -9.536 -4.141 -4.463) 11.313 30.885 ( 9.536 -4.141 4.463) 11.313 31.246 ( -0.379 3.191 -4.523) 5.548 31.246 ( 0.379 3.191 4.523) 5.548 31.625 ( -11.066 -1.126 -0.394) 11.130 31.625 ( 11.066 -1.126 0.394) 11.130 32.977 ( 0.272 1.024 -0.768) 1.309 32.977 ( -0.272 1.024 0.768) 1.309 33.012 ( 2.620 -0.312 -3.181) 4.133 33.012 ( -2.620 -0.312 3.181) 4.133 33.800 ( -1.249 -0.471 -1.834) 2.268 33.800 ( 1.249 -0.471 1.834) 2.268 34.064 ( -0.207 0.044 -5.947) 5.950 34.064 ( 0.207 0.044 5.947) 5.950 38.054 ( -1.666 0.919 -1.847) 2.651 38.054 ( 1.666 0.919 1.847) 2.651 38.230 ( -4.380 0.603 -2.677) 5.168 38.230 ( 4.380 0.603 2.677) 5.168 38.605 ( -1.923 -4.927 -4.096) 6.689 38.605 ( 1.923 -4.927 4.096) 6.689 39.069 ( -0.723 1.179 -3.831) 4.073 39.069 ( 0.723 1.179 3.831) 4.073 39.522 ( 1.089 5.958 -11.871) 13.327 39.522 ( -1.089 5.958 11.871) 13.327 39.782 ( -2.706 -3.710 -8.836) 9.958 39.782 ( 2.706 -3.710 8.836) 9.958 40.380 ( -1.947 -2.935 -3.278) 4.811 40.380 ( 1.947 -2.935 3.278) 4.811 40.669 ( 2.192 0.564 -8.178) 8.485 40.669 ( -2.192 0.564 8.178) 8.485 41.150 ( 3.799 0.920 -5.792) 6.988 41.150 ( -3.799 0.920 5.792) 6.988 41.669 ( -5.460 -7.090 -8.194) 12.133 41.669 ( 5.460 -7.090 8.194) 12.133 42.347 ( -0.970 15.815 -19.301) 24.972 42.347 ( 0.970 15.815 19.301) 24.972 42.927 ( -4.467 -7.815 -17.036) 19.268 42.927 ( 4.467 -7.815 17.036) 19.268 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 0.000 0.000) 0.000 1.942 ( -0.000 0.000 0.000) 0.000 2.197 ( -0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.618 ( -0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.926 ( -0.000 -0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.191 ( -0.000 0.000 -0.000) 0.000 3.191 ( -0.000 0.000 0.000) 0.000 3.516 ( -0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.654 ( -0.000 0.000 -0.000) 0.000 3.654 ( -0.000 0.000 0.000) 0.000 3.898 ( -0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.370 ( -0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.489 ( -0.000 0.000 -0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.764 ( -0.000 0.000 0.000) 0.000 4.764 ( -0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.261 ( -0.000 -0.000 0.000) 0.000 5.261 ( -0.000 0.000 0.000) 0.000 5.278 ( 0.000 -0.000 -0.000) 0.000 5.278 ( -0.000 0.000 0.000) 0.000 5.558 ( -0.000 0.000 -0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.724 ( -0.000 0.000 0.000) 0.000 5.724 ( -0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 -0.000) 0.000 6.380 ( -0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 -0.000) 0.000 6.423 ( -0.000 0.000 0.000) 0.000 6.903 ( -0.000 -0.000 0.000) 0.000 6.903 ( -0.000 0.000 0.000) 0.000 7.077 ( -0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.627 ( -0.000 0.000 0.000) 0.000 7.627 ( -0.000 0.000 0.000) 0.000 7.699 ( -0.000 0.000 0.000) 0.000 7.699 ( -0.000 0.000 0.000) 0.000 7.931 ( 0.000 -0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.077 ( -0.000 0.000 0.000) 0.000 8.077 ( -0.000 0.000 0.000) 0.000 8.871 ( -0.000 0.000 -0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.883 ( -0.000 0.000 -0.000) 0.000 8.883 ( 0.000 -0.000 0.000) 0.000 9.979 ( -0.000 -0.000 -0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.009 ( -0.000 0.000 -0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.589 ( -0.000 0.000 0.000) 0.000 10.589 ( -0.000 0.000 0.000) 0.000 11.245 ( -0.000 0.000 0.000) 0.000 11.245 ( -0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 11.900 ( -0.000 -0.000 0.000) 0.000 11.953 ( -0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.451 ( -0.000 0.000 0.000) 0.000 12.451 ( -0.000 0.000 0.000) 0.000 12.897 ( -0.000 0.000 0.000) 0.000 12.897 ( -0.000 0.000 0.000) 0.000 13.143 ( -0.000 0.000 0.000) 0.000 13.143 ( -0.000 0.000 0.000) 0.000 13.633 ( -0.000 0.000 0.000) 0.000 13.633 ( -0.000 0.000 0.000) 0.000 13.786 ( -0.000 0.000 0.000) 0.000 13.786 ( 0.000 0.000 0.000) 0.000 14.626 ( -0.000 0.000 0.000) 0.000 14.626 ( -0.000 0.000 0.000) 0.000 15.433 ( 0.000 -0.000 0.000) 0.000 15.433 ( 0.000 0.000 0.000) 0.000 15.700 ( -0.000 0.000 0.000) 0.000 15.700 ( -0.000 0.000 0.000) 0.000 16.412 ( -0.000 0.000 0.000) 0.000 16.412 ( -0.000 0.000 0.000) 0.000 16.621 ( 0.000 -0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.877 ( -0.000 -0.000 0.000) 0.000 16.877 ( -0.000 0.000 0.000) 0.000 17.394 ( -0.000 0.000 0.000) 0.000 17.394 ( -0.000 0.000 0.000) 0.000 17.637 ( -0.000 -0.000 0.000) 0.000 17.637 ( 0.000 0.000 0.000) 0.000 17.966 ( -0.000 0.000 0.000) 0.000 17.966 ( 0.000 0.000 0.000) 0.000 18.467 ( -0.000 -0.000 0.000) 0.000 18.467 ( -0.000 0.000 0.000) 0.000 18.576 ( -0.000 0.000 0.000) 0.000 18.576 ( -0.000 0.000 0.000) 0.000 18.880 ( 0.000 0.000 0.000) 0.000 18.880 ( -0.000 0.000 0.000) 0.000 19.300 ( -0.000 0.000 0.000) 0.000 19.300 ( 0.000 0.000 0.000) 0.000 19.561 ( -0.000 0.000 0.000) 0.000 19.561 ( 0.000 0.000 0.000) 0.000 19.620 ( -0.000 -0.000 0.000) 0.000 19.620 ( -0.000 0.000 0.000) 0.000 19.735 ( -0.000 0.000 0.000) 0.000 19.735 ( -0.000 0.000 0.000) 0.000 20.316 ( -0.000 0.000 0.000) 0.000 20.316 ( -0.000 0.000 0.000) 0.000 20.747 ( -0.000 0.000 0.000) 0.000 20.747 ( -0.000 0.000 0.000) 0.000 20.996 ( 0.000 0.000 0.000) 0.000 20.996 ( -0.000 0.000 0.000) 0.000 22.078 ( 0.000 0.000 0.000) 0.000 22.078 ( -0.000 0.000 0.000) 0.000 22.145 ( -0.000 0.000 0.000) 0.000 22.145 ( -0.000 0.000 0.000) 0.000 23.263 ( -0.000 0.000 0.000) 0.000 23.263 ( -0.000 0.000 0.000) 0.000 24.061 ( -0.000 0.000 0.000) 0.000 24.061 ( -0.000 0.000 0.000) 0.000 24.243 ( -0.000 0.000 0.000) 0.000 24.243 ( -0.000 0.000 0.000) 0.000 25.182 ( -0.000 0.000 0.000) 0.000 25.182 ( -0.000 0.000 0.000) 0.000 26.157 ( -0.000 0.000 0.000) 0.000 26.157 ( -0.000 0.000 0.000) 0.000 26.660 ( -0.000 0.000 0.000) 0.000 26.660 ( -0.000 0.000 0.000) 0.000 27.063 ( 0.000 -0.000 0.000) 0.000 27.063 ( 0.000 0.000 0.000) 0.000 27.539 ( -0.000 0.000 0.000) 0.000 27.539 ( -0.000 0.000 0.000) 0.000 28.121 ( -0.000 0.000 0.000) 0.000 28.121 ( -0.000 0.000 0.000) 0.000 28.416 ( -0.000 0.000 0.000) 0.000 28.416 ( -0.000 0.000 0.000) 0.000 28.911 ( -0.000 0.000 0.000) 0.000 28.911 ( 0.000 0.000 0.000) 0.000 29.155 ( -0.000 0.000 0.000) 0.000 29.155 ( -0.000 0.000 0.000) 0.000 29.796 ( -0.000 -0.000 0.000) 0.000 29.796 ( -0.000 0.000 0.000) 0.000 29.968 ( 0.000 -0.000 0.000) 0.000 29.968 ( -0.000 0.000 -0.000) 0.000 31.830 ( -0.000 0.000 0.000) 0.000 31.830 ( -0.000 0.000 0.000) 0.000 32.480 ( 0.000 0.000 0.000) 0.000 32.480 ( -0.000 0.000 0.000) 0.000 32.823 ( -0.000 0.000 0.000) 0.000 32.823 ( 0.000 0.000 0.000) 0.000 33.189 ( -0.000 0.000 0.000) 0.000 33.189 ( -0.000 0.000 0.000) 0.000 34.110 ( -0.000 0.000 0.000) 0.000 34.110 ( 0.000 0.000 0.000) 0.000 34.206 ( -0.000 0.000 0.000) 0.000 34.206 ( 0.000 0.000 0.000) 0.000 38.251 ( 0.000 0.000 0.000) 0.000 38.251 ( -0.000 0.000 0.000) 0.000 38.355 ( -0.000 0.000 0.000) 0.000 38.355 ( 0.000 0.000 0.000) 0.000 38.836 ( -0.000 0.000 0.000) 0.000 38.836 ( 0.000 0.000 0.000) 0.000 39.002 ( -0.000 0.000 0.000) 0.000 39.002 ( -0.000 0.000 0.000) 0.000 39.496 ( -0.000 -0.000 0.000) 0.000 39.496 ( -0.000 0.000 0.000) 0.000 39.612 ( -0.000 -0.000 0.000) 0.000 39.612 ( -0.000 0.000 0.000) 0.000 40.654 ( 0.000 0.000 0.000) 0.000 40.654 ( -0.000 0.000 0.000) 0.000 40.746 ( -0.000 0.000 -0.000) 0.000 40.746 ( -0.000 0.000 0.000) 0.000 41.115 ( 0.000 0.000 0.000) 0.000 41.115 ( -0.000 0.000 0.000) 0.000 41.514 ( -0.000 0.000 0.000) 0.000 41.514 ( 0.000 0.000 0.000) 0.000 42.060 ( -0.000 0.000 0.000) 0.000 42.060 ( -0.000 0.000 0.000) 0.000 42.941 ( -0.000 0.000 0.000) 0.000 42.941 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 149 (75/78) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 14.481 -2.814 -9.194) 17.383 1.983 ( 14.481 2.814 -9.194) 17.383 2.380 ( 7.253 -5.636 4.060) 10.043 2.380 ( 7.253 5.636 4.060) 10.043 2.743 ( 6.183 -8.456 -3.799) 11.143 2.743 ( 6.183 8.456 -3.799) 11.143 2.958 ( 6.916 -8.240 -0.282) 10.761 2.958 ( 6.916 8.240 -0.282) 10.761 3.274 ( 3.718 -2.866 0.644) 4.738 3.274 ( 3.718 2.866 0.644) 4.738 3.449 ( 2.779 -6.622 -8.301) 10.976 3.449 ( 2.779 6.622 -8.301) 10.976 3.665 ( 0.922 -2.954 5.102) 5.967 3.665 ( 0.922 2.954 5.102) 5.967 4.051 ( 10.137 -3.992 2.292) 11.133 4.051 ( 10.137 3.992 2.292) 11.133 4.290 ( -5.084 -3.274 -0.360) 6.058 4.290 ( -5.084 3.274 -0.360) 6.058 4.565 ( 3.454 -1.509 8.823) 9.594 4.565 ( 3.454 1.509 8.823) 9.594 4.798 ( 2.543 -7.584 -0.996) 8.061 4.798 ( 2.543 7.584 -0.996) 8.061 4.923 ( -0.708 -3.810 -5.502) 6.729 4.923 ( -0.708 3.810 -5.502) 6.729 5.257 ( 0.588 -1.073 -1.470) 1.913 5.257 ( 0.588 1.073 -1.470) 1.913 5.339 ( 4.716 -5.480 1.853) 7.464 5.339 ( 4.716 5.480 1.853) 7.464 5.553 ( 1.075 -1.677 -3.362) 3.908 5.553 ( 1.075 1.677 -3.362) 3.908 5.720 ( -0.780 -2.435 0.995) 2.743 5.720 ( -0.780 2.435 0.995) 2.743 6.323 ( -6.063 -7.312 5.201) 10.830 6.323 ( -6.063 7.312 5.201) 10.830 6.438 ( 0.864 -3.313 -0.384) 3.446 6.438 ( 0.864 3.313 -0.384) 3.446 6.966 ( 5.444 -5.514 -2.197) 8.054 6.966 ( 5.444 5.514 -2.197) 8.054 7.027 ( -4.618 -7.464 1.942) 8.989 7.027 ( -4.618 7.464 1.942) 8.989 7.516 ( -9.458 -7.451 -0.817) 12.068 7.516 ( -9.458 7.451 -0.817) 12.068 7.683 ( 0.233 -2.300 -1.929) 3.011 7.683 ( 0.233 2.300 -1.929) 3.011 7.814 ( -7.634 -4.902 -0.885) 9.115 7.814 ( -7.634 4.902 -0.885) 9.115 8.121 ( 0.464 -4.605 2.212) 5.130 8.121 ( 0.464 4.605 2.212) 5.130 8.918 ( 5.558 -2.551 -2.905) 6.770 8.918 ( 5.558 2.551 -2.905) 6.770 9.011 ( 9.421 -0.927 5.556) 10.976 9.011 ( 9.421 0.927 5.556) 10.976 9.972 ( 3.980 -4.027 -5.479) 7.879 9.972 ( 3.980 4.027 -5.479) 7.879 10.147 ( 7.958 -5.275 7.496) 12.139 10.147 ( 7.958 5.275 7.496) 12.139 10.612 ( 1.729 -0.452 1.877) 2.591 10.612 ( 1.729 0.452 1.877) 2.591 11.216 ( -1.774 -1.637 -3.984) 4.658 11.216 ( -1.774 1.637 -3.984) 4.658 11.826 ( -5.364 -0.171 2.801) 6.053 11.826 ( -5.364 0.171 2.801) 6.053 12.007 ( 3.533 -6.386 -1.934) 7.550 12.007 ( 3.533 6.386 -1.934) 7.550 12.475 ( 1.683 -5.260 0.880) 5.592 12.475 ( 1.683 5.260 0.880) 5.592 12.857 ( -3.230 -3.509 1.355) 4.958 12.857 ( -3.230 3.509 1.355) 4.958 13.238 ( 8.137 -8.305 -4.578) 12.496 13.238 ( 8.137 8.305 -4.578) 12.496 13.502 ( -6.062 -4.797 -8.235) 11.295 13.502 ( -6.062 4.797 -8.235) 11.295 13.853 ( 3.018 -6.515 3.389) 7.940 13.853 ( 3.018 6.515 3.389) 7.940 14.629 ( -1.816 -7.360 4.675) 8.906 14.629 ( -1.816 7.360 4.675) 8.906 15.276 ( -14.606 -4.841 8.353) 17.508 15.276 ( -14.606 4.841 8.353) 17.508 15.782 ( 4.162 -6.489 -3.169) 8.335 15.782 ( 4.162 6.489 -3.169) 8.335 16.395 ( -0.360 -5.304 -1.943) 5.661 16.395 ( -0.360 5.304 -1.943) 5.661 16.496 ( -10.523 -5.959 -2.310) 12.311 16.496 ( -10.523 5.959 -2.310) 12.311 16.937 ( 1.301 -9.371 -7.240) 11.913 16.937 ( 1.301 9.371 -7.240) 11.913 17.178 ( -12.889 -1.172 0.171) 12.944 17.178 ( -12.889 1.172 0.171) 12.944 17.567 ( -3.479 -2.260 -0.015) 4.148 17.567 ( -3.479 2.260 -0.015) 4.148 17.988 ( -0.605 -12.703 1.820) 12.847 17.988 ( -0.605 12.703 1.820) 12.847 18.531 ( 5.862 -2.898 4.818) 8.122 18.531 ( 5.862 2.898 4.818) 8.122 18.683 ( 7.078 -3.444 1.759) 8.066 18.683 ( 7.078 3.444 1.759) 8.066 18.941 ( 2.779 -2.589 1.875) 4.236 18.941 ( 2.779 2.589 1.875) 4.236 19.284 ( -0.288 -1.622 -1.044) 1.950 19.284 ( -0.288 1.622 -1.044) 1.950 19.498 ( -1.862 -4.597 -2.395) 5.507 19.498 ( -1.862 4.597 -2.395) 5.507 19.695 ( 3.780 -3.058 0.107) 4.863 19.695 ( 3.780 3.058 0.107) 4.863 19.738 ( 0.722 -3.152 0.735) 3.317 19.738 ( 0.722 3.152 0.735) 3.317 20.249 ( -6.251 -1.131 0.212) 6.356 20.249 ( -6.251 1.131 0.212) 6.356 20.761 ( 1.713 -0.354 -0.476) 1.813 20.761 ( 1.713 0.354 -0.476) 1.813 20.986 ( -1.657 -7.718 1.427) 8.022 20.986 ( -1.657 7.718 1.427) 8.022 22.053 ( -2.159 -2.729 -0.212) 3.486 22.053 ( -2.159 2.729 -0.212) 3.486 22.160 ( 1.218 -2.640 -1.268) 3.172 22.160 ( 1.218 2.640 -1.268) 3.172 23.005 ( -20.088 -1.463 -3.383) 20.424 23.005 ( -20.088 1.463 -3.383) 20.424 23.810 ( -23.931 -1.813 -4.795) 24.474 23.810 ( -23.931 1.813 -4.795) 24.474 24.371 ( 15.804 -0.919 -1.396) 15.892 24.371 ( 15.804 0.919 -1.396) 15.892 25.519 ( 23.322 -5.227 11.406) 26.483 25.519 ( 23.322 5.227 11.406) 26.483 26.191 ( 1.307 -1.020 5.910) 6.138 26.191 ( 1.307 1.020 5.910) 6.138 26.660 ( 0.565 -0.626 -0.450) 0.956 26.660 ( 0.565 0.626 -0.450) 0.956 27.036 ( -0.740 -6.287 -5.342) 8.283 27.036 ( -0.740 6.287 -5.342) 8.283 27.578 ( 2.287 -4.035 3.185) 5.627 27.578 ( 2.287 4.035 3.185) 5.627 28.139 ( 0.881 -3.391 -0.334) 3.519 28.139 ( 0.881 3.391 -0.334) 3.519 28.449 ( 3.022 -3.184 1.121) 4.531 28.449 ( 3.022 3.184 1.121) 4.531 28.817 ( -5.657 -4.580 -2.740) 7.777 28.817 ( -5.657 4.580 -2.740) 7.777 29.267 ( 9.180 -1.106 -1.164) 9.320 29.267 ( 9.180 1.106 -1.164) 9.320 29.889 ( 9.271 -2.478 1.002) 9.649 29.889 ( 9.271 2.478 1.002) 9.649 30.092 ( 12.210 -3.608 0.186) 12.733 30.092 ( 12.210 3.608 0.186) 12.733 31.772 ( -5.936 -2.444 -0.428) 6.434 31.772 ( -5.936 2.444 -0.428) 6.434 32.397 ( -9.890 -2.804 4.519) 11.229 32.397 ( -9.890 2.804 4.519) 11.229 32.831 ( 2.053 -2.200 -1.922) 3.570 32.831 ( 2.053 2.200 -1.922) 3.570 33.183 ( 0.412 -3.353 -5.907) 6.804 33.183 ( 0.412 3.353 -5.907) 6.804 33.977 ( -9.172 -2.604 0.385) 9.543 33.977 ( -9.172 2.604 0.385) 9.543 34.250 ( 0.994 -2.839 -0.938) 3.151 34.250 ( 0.994 2.839 -0.938) 3.151 38.124 ( -7.393 -0.195 0.303) 7.401 38.124 ( -7.393 0.195 0.303) 7.401 38.462 ( 4.897 -1.229 1.571) 5.288 38.462 ( 4.897 1.229 1.571) 5.288 38.736 ( -6.805 -4.793 -3.297) 8.953 38.736 ( -6.805 4.793 -3.297) 8.953 39.104 ( 7.665 -5.674 -1.564) 9.664 39.104 ( 7.665 5.674 -1.564) 9.664 39.437 ( -3.980 -4.694 -3.078) 6.881 39.437 ( -3.980 4.694 -3.078) 6.881 39.628 ( 0.263 -10.707 5.147) 11.883 39.628 ( 0.263 10.707 5.147) 11.883 40.604 ( -2.706 -0.543 -4.273) 5.087 40.604 ( -2.706 0.543 -4.273) 5.087 40.807 ( 2.769 -1.313 5.847) 6.601 40.807 ( 2.769 1.313 5.847) 6.601 41.034 ( -5.587 -3.095 -4.903) 8.052 41.034 ( -5.587 3.095 -4.903) 8.052 41.588 ( 3.742 -2.920 7.252) 8.668 41.588 ( 3.742 2.920 7.252) 8.668 42.098 ( 4.074 -2.682 1.552) 5.119 42.098 ( 4.074 2.682 1.552) 5.119 42.927 ( 0.563 -8.564 -7.197) 11.201 42.927 ( 0.563 8.564 -7.197) 11.201 ======================= Grid point 151 (76/78) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 6.993 -13.849 -7.215) 17.110 2.214 ( 6.993 13.849 -7.215) 17.110 2.580 ( 10.558 -7.156 1.792) 12.879 2.580 ( 10.558 7.156 1.792) 12.879 2.803 ( 7.468 -6.165 -1.215) 9.760 2.803 ( 7.468 6.165 -1.215) 9.760 3.078 ( 6.127 -10.839 -5.709) 13.697 3.078 ( 6.127 10.839 -5.709) 13.697 3.282 ( 0.774 -2.283 -0.351) 2.436 3.282 ( 0.774 2.283 -0.351) 2.436 3.474 ( -1.851 -1.736 1.218) 2.815 3.474 ( -1.851 1.736 1.218) 2.815 3.817 ( 8.543 -5.630 -1.821) 10.392 3.817 ( 8.543 5.630 -1.821) 10.392 4.110 ( -2.138 -2.078 -2.260) 3.741 4.110 ( -2.138 2.078 -2.260) 3.741 4.313 ( 3.916 -1.142 6.517) 7.688 4.313 ( 3.916 1.142 6.517) 7.688 4.673 ( 0.108 -1.513 7.449) 7.602 4.673 ( 0.108 1.513 7.449) 7.602 4.726 ( -2.374 -7.928 -4.897) 9.617 4.726 ( -2.374 7.928 -4.897) 9.617 5.072 ( 13.860 -2.942 -2.065) 14.319 5.072 ( 13.860 2.942 -2.065) 14.319 5.258 ( -0.078 -2.866 -0.589) 2.927 5.258 ( -0.078 2.866 -0.589) 2.927 5.464 ( 6.598 -3.333 3.317) 8.103 5.464 ( 6.598 3.333 3.317) 8.103 5.576 ( 1.391 -1.279 -2.618) 3.229 5.576 ( 1.391 1.279 -2.618) 3.229 5.702 ( -0.366 -2.237 -1.063) 2.503 5.702 ( -0.366 2.237 -1.063) 2.503 6.235 ( -3.878 -6.160 2.633) 7.741 6.235 ( -3.878 6.160 2.633) 7.741 6.453 ( 0.322 -4.829 2.885) 5.634 6.453 ( 0.322 4.829 2.885) 5.634 6.879 ( -8.851 -3.286 4.009) 10.257 6.879 ( -8.851 3.286 4.009) 10.257 7.081 ( 2.321 -1.598 -0.867) 2.949 7.081 ( 2.321 1.598 -0.867) 2.949 7.396 ( 1.053 -6.986 -4.071) 8.154 7.396 ( 1.053 6.986 -4.071) 8.154 7.654 ( -2.932 -2.320 -3.687) 5.251 7.654 ( -2.932 2.320 -3.687) 5.251 7.730 ( 2.102 -4.429 -1.514) 5.131 7.730 ( 2.102 4.429 -1.514) 5.131 8.127 ( 0.121 -5.762 2.967) 6.482 8.127 ( 0.121 5.762 2.967) 6.482 9.018 ( 5.373 -4.096 -0.915) 6.818 9.018 ( 5.373 4.096 -0.915) 6.818 9.232 ( 9.111 -2.037 3.669) 10.031 9.232 ( 9.111 2.037 3.669) 10.031 10.072 ( 7.583 -5.686 -1.706) 9.630 10.072 ( 7.583 5.686 -1.706) 9.630 10.343 ( 7.803 -7.932 5.179) 12.273 10.343 ( 7.803 7.932 5.179) 12.273 10.667 ( 2.226 -2.617 3.267) 4.741 10.667 ( 2.226 2.617 3.267) 4.741 11.151 ( -1.352 -3.863 -6.076) 7.326 11.151 ( -1.352 3.863 -6.076) 7.326 11.745 ( -4.802 -2.361 3.704) 6.508 11.745 ( -4.802 2.361 3.704) 6.508 12.068 ( 3.997 -5.288 -1.189) 6.735 12.068 ( 3.997 5.288 -1.189) 6.735 12.493 ( -1.026 -6.196 0.106) 6.281 12.493 ( -1.026 6.196 0.106) 6.281 12.811 ( -1.828 -1.519 -0.777) 2.500 12.811 ( -1.828 1.519 -0.777) 2.500 13.191 ( -6.799 -12.466 -8.952) 16.786 13.191 ( -6.799 12.466 -8.952) 16.786 13.537 ( 9.713 -0.999 -2.723) 10.137 13.537 ( 9.713 0.999 -2.723) 10.137 13.930 ( 3.794 -8.462 2.829) 9.695 13.930 ( 3.794 8.462 2.829) 9.695 14.555 ( -8.864 -11.042 3.395) 14.561 14.555 ( -8.864 11.042 3.395) 14.561 15.023 ( -15.175 -3.331 9.883) 18.413 15.023 ( -15.175 3.331 9.883) 18.413 15.717 ( -9.314 -2.908 -4.801) 10.875 15.717 ( -9.314 2.908 -4.801) 10.875 16.218 ( -12.159 -2.283 -4.574) 13.190 16.218 ( -12.159 2.283 -4.574) 13.190 16.403 ( -3.952 -8.903 4.142) 10.585 16.403 ( -3.952 8.903 4.142) 10.585 16.691 ( -10.685 -0.574 -2.511) 10.991 16.691 ( -10.685 0.574 -2.511) 10.991 17.238 ( 11.406 -6.202 -8.438) 15.485 17.238 ( 11.406 6.202 -8.438) 15.485 17.509 ( -0.207 -3.574 -2.743) 4.510 17.509 ( -0.207 3.574 -2.743) 4.510 18.042 ( 6.742 -14.778 0.875) 16.267 18.042 ( 6.742 14.778 0.875) 16.267 18.602 ( -8.466 -4.216 18.283) 20.585 18.602 ( -8.466 4.216 18.283) 20.585 18.809 ( 5.464 -4.803 -8.379) 11.097 18.809 ( 5.464 4.803 -8.379) 11.097 18.965 ( 2.158 -2.213 5.352) 6.181 18.965 ( 2.158 2.213 5.352) 6.181 19.328 ( 4.236 -3.062 1.359) 5.400 19.328 ( 4.236 3.062 1.359) 5.400 19.492 ( 2.125 -2.975 -3.955) 5.386 19.492 ( 2.125 2.975 -3.955) 5.386 19.706 ( -0.308 -1.148 -1.919) 2.258 19.706 ( -0.308 1.148 -1.919) 2.258 19.798 ( 2.460 -3.579 1.408) 4.565 19.798 ( 2.460 3.579 1.408) 4.565 20.117 ( -6.283 -1.064 0.213) 6.376 20.117 ( -6.283 1.064 0.213) 6.376 20.784 ( 0.064 -0.806 -3.398) 3.493 20.784 ( 0.064 0.806 -3.398) 3.493 20.962 ( -0.715 -8.199 3.728) 9.035 20.962 ( -0.715 8.199 3.728) 9.035 22.004 ( -2.376 -3.844 -0.790) 4.587 22.004 ( -2.376 3.844 -0.790) 4.587 22.162 ( -0.798 -3.726 -0.740) 3.882 22.162 ( -0.798 3.726 -0.740) 3.882 22.595 ( -18.204 -2.219 -3.862) 18.741 22.595 ( -18.204 2.219 -3.862) 18.741 23.311 ( -22.399 -1.375 -4.917) 22.973 23.311 ( -22.399 1.375 -4.917) 22.973 24.666 ( 13.729 -0.755 -1.241) 13.805 24.666 ( 13.729 0.755 -1.241) 13.805 25.990 ( 12.743 -2.609 15.355) 20.124 25.990 ( 12.743 2.609 15.355) 20.124 26.259 ( 5.195 -5.192 4.747) 8.746 26.259 ( 5.195 5.192 4.747) 8.746 26.699 ( 3.439 -2.245 0.613) 4.152 26.699 ( 3.439 2.245 0.613) 4.152 27.014 ( 2.802 -9.254 -7.200) 12.055 27.014 ( 2.802 9.254 -7.200) 12.055 27.615 ( -1.451 -6.021 2.734) 6.770 27.615 ( -1.451 6.021 2.734) 6.770 28.140 ( 1.899 -6.618 -5.342) 8.714 28.140 ( 1.899 6.618 -5.342) 8.714 28.497 ( -2.070 -3.242 5.292) 6.542 28.497 ( -2.070 3.242 5.292) 6.542 28.756 ( 2.670 -5.660 -3.296) 7.073 28.756 ( 2.670 5.660 -3.296) 7.073 29.455 ( 10.037 -0.449 -0.660) 10.069 29.455 ( 10.037 0.449 -0.660) 10.069 30.140 ( 14.726 -4.821 2.674) 15.724 30.140 ( 14.726 4.821 2.674) 15.724 30.415 ( 19.630 -5.285 0.413) 20.333 30.415 ( 19.630 5.285 0.413) 20.333 31.596 ( -11.031 -3.249 -3.037) 11.894 31.596 ( -11.031 3.249 -3.037) 11.894 32.159 ( -17.393 -4.371 8.381) 19.796 32.159 ( -17.393 4.371 8.381) 19.796 32.886 ( 4.973 -2.499 -4.760) 7.323 32.886 ( 4.973 2.499 -4.760) 7.323 33.130 ( -1.939 -3.800 -7.738) 8.836 33.130 ( -1.939 3.800 -7.738) 8.836 33.832 ( -5.743 -3.519 2.739) 7.271 33.832 ( -5.743 3.519 2.739) 7.271 34.214 ( -3.446 -3.039 -1.951) 4.992 34.214 ( -3.446 3.039 -1.951) 4.992 38.023 ( -2.989 -0.150 0.989) 3.152 38.023 ( -2.989 0.150 0.989) 3.152 38.499 ( -3.758 -4.235 1.256) 5.799 38.499 ( -3.758 4.235 1.256) 5.799 38.591 ( -3.586 -6.704 -4.984) 9.091 38.591 ( -3.586 6.704 -4.984) 9.091 39.170 ( -0.678 -4.656 -5.420) 7.178 39.170 ( -0.678 4.656 -5.420) 7.178 39.420 ( 3.324 -5.342 6.734) 9.216 39.420 ( 3.324 5.342 6.734) 9.216 39.670 ( 2.211 -10.051 0.701) 10.316 39.670 ( 2.211 10.051 0.701) 10.316 40.512 ( -4.643 -2.666 -4.052) 6.714 40.512 ( -4.643 2.666 -4.052) 6.714 40.808 ( -6.064 -2.360 1.523) 6.683 40.808 ( -6.064 2.360 1.523) 6.683 40.985 ( 4.663 -1.221 -0.849) 4.894 40.985 ( 4.663 1.221 -0.849) 4.894 41.658 ( 0.020 -4.869 2.060) 5.287 41.658 ( 0.020 4.869 2.060) 5.287 42.253 ( 8.187 -8.439 10.560) 15.803 42.253 ( 8.187 8.439 10.560) 15.803 42.888 ( 0.558 -13.411 -12.180) 18.125 42.888 ( 0.558 13.411 -12.180) 18.125 ======================= Grid point 153 (77/78) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.639 -7.143 -5.452) 9.009 2.216 ( -0.639 7.143 -5.452) 9.009 2.702 ( 4.760 -3.751 -2.378) 6.510 2.702 ( 4.760 3.751 -2.378) 6.510 2.927 ( 2.078 -4.311 -2.252) 5.289 2.927 ( 2.078 4.311 -2.252) 5.289 3.174 ( 1.440 -2.725 -2.612) 4.040 3.174 ( 1.440 2.725 -2.612) 4.040 3.350 ( 5.455 -2.721 10.837) 12.434 3.350 ( 5.455 2.721 10.837) 12.434 3.479 ( 2.806 -0.901 -0.746) 3.040 3.479 ( 2.806 0.901 -0.746) 3.040 3.840 ( -2.309 -6.163 -4.867) 8.186 3.840 ( -2.309 6.163 -4.867) 8.186 4.111 ( 2.408 -2.728 -2.874) 4.637 4.111 ( 2.408 2.728 -2.874) 4.637 4.386 ( 2.428 -5.116 4.551) 7.265 4.386 ( 2.428 5.116 4.551) 7.265 4.606 ( -3.760 -6.226 3.712) 8.166 4.606 ( -3.760 6.226 3.712) 8.166 4.809 ( 6.531 -2.890 0.932) 7.202 4.809 ( 6.531 2.890 0.932) 7.202 5.214 ( -2.229 -3.851 -7.245) 8.503 5.214 ( -2.229 3.851 -7.245) 8.503 5.240 ( 1.936 -3.649 0.120) 4.133 5.240 ( 1.936 3.649 0.120) 4.133 5.462 ( -8.434 -2.243 -1.390) 8.837 5.462 ( -8.434 2.244 -1.390) 8.837 5.644 ( 6.330 -3.886 6.894) 10.133 5.644 ( 6.330 3.886 6.894) 10.133 5.757 ( 5.848 -4.085 -4.821) 8.609 5.757 ( 5.848 4.085 -4.821) 8.609 6.229 ( 1.268 -2.946 2.079) 3.822 6.229 ( 1.268 2.946 2.079) 3.822 6.479 ( 0.293 -3.333 3.119) 4.574 6.479 ( 0.293 3.333 3.119) 4.574 6.754 ( -5.935 -4.702 4.335) 8.725 6.754 ( -5.935 4.702 4.335) 8.725 7.081 ( -0.034 -5.076 0.625) 5.114 7.081 ( -0.034 5.076 0.625) 5.114 7.439 ( 2.518 -6.182 -3.590) 7.579 7.439 ( 2.518 6.182 -3.590) 7.579 7.611 ( -0.284 -3.300 -2.286) 4.024 7.611 ( -0.284 3.300 -2.286) 4.024 7.830 ( 9.350 -5.840 -6.059) 12.579 7.830 ( 9.350 5.840 -6.059) 12.579 8.179 ( 2.402 -5.775 4.650) 7.794 8.179 ( 2.402 5.775 4.650) 7.794 9.118 ( 5.448 -3.942 -0.821) 6.775 9.118 ( 5.448 3.942 -0.821) 6.775 9.368 ( 3.291 -2.029 1.893) 4.305 9.368 ( 3.291 2.029 1.893) 4.305 10.214 ( 6.964 -7.988 0.259) 10.600 10.214 ( 6.964 7.988 0.259) 10.600 10.459 ( 1.039 -8.459 -0.322) 8.529 10.459 ( 1.039 8.459 -0.322) 8.529 10.744 ( 4.722 -5.607 6.842) 10.027 10.744 ( 4.722 5.607 6.842) 10.027 11.103 ( -2.228 -6.876 -5.489) 9.076 11.103 ( -2.228 6.876 -5.489) 9.076 11.690 ( -1.880 -3.537 3.509) 5.325 11.690 ( -1.880 3.537 3.509) 5.325 12.152 ( 4.541 -2.297 -0.096) 5.090 12.152 ( 4.541 2.297 -0.096) 5.090 12.440 ( -1.856 -1.544 -3.236) 4.037 12.440 ( -1.856 1.544 -3.236) 4.037 12.730 ( -6.478 -3.032 -3.297) 7.876 12.730 ( -6.478 3.032 -3.297) 7.876 13.105 ( 3.361 -6.305 -2.365) 7.526 13.105 ( 3.361 6.305 -2.365) 7.526 13.593 ( -7.503 -2.274 1.061) 7.912 13.593 ( -7.503 2.274 1.061) 7.912 14.035 ( 4.856 -9.429 3.447) 11.152 14.035 ( 4.856 9.429 3.447) 11.152 14.404 ( -2.820 -7.536 -3.058) 8.608 14.404 ( -2.820 7.536 -3.058) 8.608 14.833 ( -7.197 -5.280 5.560) 10.516 14.833 ( -7.197 5.280 5.560) 10.516 15.413 ( -17.445 -1.696 -2.095) 17.652 15.413 ( -17.445 1.696 -2.095) 17.652 16.060 ( -2.488 -2.771 0.405) 3.746 16.060 ( -2.488 2.771 0.405) 3.746 16.249 ( -9.882 -5.076 1.417) 11.199 16.249 ( -9.882 5.076 1.417) 11.199 16.624 ( 0.948 -1.548 -2.610) 3.179 16.624 ( 0.948 1.548 -2.610) 3.179 17.318 ( 0.209 -0.736 -2.258) 2.384 17.318 ( 0.209 0.736 -2.258) 2.384 17.653 ( 18.064 -6.335 -11.652) 22.410 17.653 ( 18.064 6.335 -11.652) 22.410 18.193 ( 0.388 -12.164 5.471) 13.343 18.193 ( 0.388 12.164 5.471) 13.343 18.454 ( -6.766 -3.690 12.111) 14.355 18.454 ( -6.766 3.691 12.111) 14.355 18.805 ( -3.208 -0.915 -1.240) 3.559 18.805 ( -3.208 0.915 -1.240) 3.559 19.086 ( 6.285 -3.760 1.828) 7.548 19.086 ( 6.285 3.760 1.828) 7.548 19.379 ( -2.856 -4.434 -0.669) 5.316 19.379 ( -2.856 4.434 -0.669) 5.316 19.530 ( 4.688 -1.188 -1.233) 4.990 19.530 ( 4.688 1.188 -1.233) 4.990 19.708 ( 1.460 -2.198 0.218) 2.647 19.708 ( 1.460 2.198 0.218) 2.647 19.811 ( -0.694 -2.602 -0.361) 2.717 19.811 ( -0.694 2.602 -0.361) 2.717 20.036 ( -2.135 -2.532 -1.156) 3.507 20.036 ( -2.135 2.532 -1.156) 3.507 20.715 ( -3.650 -2.448 -3.131) 5.397 20.715 ( -3.650 2.448 -3.131) 5.397 21.010 ( 2.201 -2.773 3.542) 5.008 21.010 ( 2.201 2.773 3.542) 5.008 21.967 ( -0.412 -3.765 -1.037) 3.926 21.967 ( -0.412 3.765 -1.037) 3.926 22.106 ( -5.434 -5.990 1.114) 8.164 22.106 ( -5.434 5.990 1.114) 8.164 22.316 ( -7.436 -4.737 -3.634) 9.536 22.316 ( -7.436 4.737 -3.634) 9.536 22.944 ( -12.524 -2.410 -2.657) 13.027 22.944 ( -12.524 2.410 -2.657) 13.027 24.868 ( 7.423 -0.633 -0.991) 7.516 24.868 ( 7.423 0.633 -0.991) 7.516 26.075 ( -3.545 -1.912 6.019) 7.243 26.075 ( -3.545 1.912 6.019) 7.243 26.502 ( 10.173 -8.608 7.996) 15.541 26.502 ( 10.173 8.608 7.996) 15.541 26.774 ( 3.604 -4.339 -0.479) 5.661 26.774 ( 3.604 4.339 -0.479) 5.661 27.088 ( 7.260 -9.786 -2.576) 12.454 27.088 ( 7.260 9.786 -2.576) 12.454 27.518 ( -8.280 -7.320 -1.610) 11.168 27.518 ( -8.280 7.320 -1.610) 11.168 28.197 ( 7.313 -6.131 -8.026) 12.469 28.197 ( 7.313 6.131 -8.026) 12.469 28.432 ( -6.543 -2.790 7.201) 10.122 28.432 ( -6.543 2.790 7.201) 10.122 28.844 ( 5.344 -3.452 -1.177) 6.470 28.844 ( 5.344 3.452 -1.177) 6.470 29.618 ( 6.147 -0.571 0.152) 6.176 29.618 ( 6.147 0.571 0.152) 6.176 30.467 ( 16.207 -4.210 5.798) 17.720 30.467 ( 16.207 4.210 5.798) 17.720 30.782 ( 15.629 -3.643 -2.519) 16.245 30.782 ( 15.629 3.643 -2.519) 16.245 31.347 ( -9.762 -1.329 -5.869) 11.468 31.347 ( -9.762 1.329 -5.869) 11.468 31.839 ( -19.228 -5.289 8.528) 21.689 31.839 ( -19.228 5.289 8.528) 21.689 32.954 ( 4.156 -1.098 -4.648) 6.331 32.954 ( 4.156 1.098 -4.648) 6.331 33.051 ( -2.369 -2.427 -4.129) 5.344 33.051 ( -2.369 2.427 -4.129) 5.344 33.787 ( -0.938 -2.092 2.920) 3.713 33.787 ( -0.938 2.092 2.920) 3.713 34.121 ( -4.377 -1.785 -1.735) 5.036 34.121 ( -4.377 1.785 -1.735) 5.036 38.020 ( 1.766 -0.653 1.603) 2.473 38.020 ( 1.766 0.653 1.603) 2.473 38.351 ( -8.102 -4.079 -2.110) 9.313 38.351 ( -8.102 4.079 -2.110) 9.313 38.553 ( -0.547 -3.919 -1.910) 4.394 38.553 ( -0.547 3.919 -1.910) 4.394 39.106 ( -2.090 -2.049 -2.474) 3.832 39.106 ( -2.090 2.049 -2.474) 3.832 39.556 ( 4.505 -5.930 9.509) 12.078 39.556 ( 4.505 5.930 9.509) 12.078 39.702 ( 1.683 -8.341 -4.912) 9.825 39.702 ( 1.683 8.341 -4.912) 9.825 40.397 ( -4.629 -2.701 -2.218) 5.800 40.397 ( -4.629 2.701 -2.218) 5.800 40.709 ( -3.118 -0.503 -1.343) 3.432 40.709 ( -3.118 0.503 -1.343) 3.432 41.099 ( 5.082 -1.418 2.319) 5.763 41.099 ( 5.082 1.418 2.319) 5.763 41.625 ( -2.374 -5.718 -2.036) 6.517 41.625 ( -2.374 5.718 -2.036) 6.517 42.482 ( 7.043 -12.138 15.961) 21.253 42.482 ( 7.043 12.138 15.961) 21.253 42.817 ( -0.691 -14.473 -14.883) 20.772 42.817 ( -0.691 14.473 -14.883) 20.772 ======================= Grid point 155 (78/78) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.000 -0.000 0.000) 0.000 2.190 ( -0.000 0.000 0.000) 0.000 2.749 ( -0.000 0.000 0.000) 0.000 2.749 ( -0.000 0.000 0.000) 0.000 2.926 ( -0.000 0.000 0.000) 0.000 2.926 ( -0.000 0.000 0.000) 0.000 3.160 ( -0.000 -0.000 0.000) 0.000 3.160 ( -0.000 0.000 0.000) 0.000 3.452 ( -0.000 0.000 -0.000) 0.000 3.452 ( -0.000 -0.000 -0.000) 0.000 3.525 ( -0.000 -0.000 0.000) 0.000 3.525 ( -0.000 0.000 0.000) 0.000 3.782 ( -0.000 0.000 0.000) 0.000 3.782 ( -0.000 0.000 0.000) 0.000 4.116 ( -0.000 0.000 0.000) 0.000 4.116 ( -0.000 0.000 0.000) 0.000 4.504 ( -0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.530 ( -0.000 0.000 0.000) 0.000 4.530 ( 0.000 -0.000 -0.000) 0.000 4.979 ( -0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.023 ( -0.000 0.000 -0.000) 0.000 5.023 ( -0.000 0.000 0.000) 0.000 5.279 ( -0.000 -0.000 0.000) 0.000 5.279 ( -0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.365 ( -0.000 0.000 0.000) 0.000 5.723 ( -0.000 0.000 -0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.811 ( -0.000 -0.000 0.000) 0.000 5.811 ( -0.000 0.000 0.000) 0.000 6.256 ( -0.000 0.000 -0.000) 0.000 6.256 ( -0.000 -0.000 0.000) 0.000 6.493 ( -0.000 0.000 0.000) 0.000 6.493 ( -0.000 0.000 0.000) 0.000 6.699 ( -0.000 0.000 0.000) 0.000 6.699 ( -0.000 0.000 0.000) 0.000 7.091 ( -0.000 -0.000 0.000) 0.000 7.091 ( -0.000 0.000 0.000) 0.000 7.451 ( -0.000 0.000 0.000) 0.000 7.451 ( -0.000 0.000 0.000) 0.000 7.599 ( -0.000 0.000 0.000) 0.000 7.599 ( -0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 -0.000) 0.000 7.932 ( -0.000 0.000 0.000) 0.000 8.220 ( -0.000 0.000 -0.000) 0.000 8.220 ( -0.000 0.000 0.000) 0.000 9.186 ( -0.000 -0.000 0.000) 0.000 9.186 ( -0.000 0.000 0.000) 0.000 9.396 ( -0.000 0.000 0.000) 0.000 9.396 ( -0.000 0.000 0.000) 0.000 10.323 ( -0.000 -0.000 0.000) 0.000 10.323 ( -0.000 0.000 0.000) 0.000 10.408 ( -0.000 -0.000 -0.000) 0.000 10.408 ( -0.000 0.000 0.000) 0.000 10.911 ( -0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.973 ( -0.000 0.000 -0.000) 0.000 10.973 ( -0.000 0.000 -0.000) 0.000 11.698 ( -0.000 0.000 -0.000) 0.000 11.698 ( -0.000 0.000 0.000) 0.000 12.200 ( -0.000 0.000 0.000) 0.000 12.200 ( -0.000 0.000 0.000) 0.000 12.445 ( 0.000 0.000 -0.000) 0.000 12.445 ( -0.000 0.000 0.000) 0.000 12.604 ( -0.000 0.000 0.000) 0.000 12.604 ( -0.000 0.000 0.000) 0.000 13.229 ( -0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.385 ( -0.000 0.000 0.000) 0.000 13.385 ( -0.000 0.000 0.000) 0.000 14.115 ( -0.000 0.000 -0.000) 0.000 14.115 ( -0.000 0.000 0.000) 0.000 14.378 ( -0.000 0.000 0.000) 0.000 14.378 ( -0.000 0.000 0.000) 0.000 14.823 ( -0.000 0.000 -0.000) 0.000 14.823 ( -0.000 0.000 0.000) 0.000 15.175 ( -0.000 0.000 0.000) 0.000 15.175 ( -0.000 0.000 0.000) 0.000 16.087 ( -0.000 -0.000 -0.000) 0.000 16.087 ( -0.000 0.000 0.000) 0.000 16.111 ( -0.000 0.000 0.000) 0.000 16.111 ( 0.000 0.000 0.000) 0.000 16.628 ( -0.000 0.000 0.000) 0.000 16.628 ( -0.000 0.000 0.000) 0.000 17.308 ( -0.000 0.000 -0.000) 0.000 17.308 ( -0.000 0.000 0.000) 0.000 17.950 ( 0.000 0.000 -0.000) 0.000 17.950 ( -0.000 0.000 0.000) 0.000 18.007 ( 0.000 0.000 -0.000) 0.000 18.007 ( -0.000 0.000 0.000) 0.000 18.554 ( -0.000 -0.000 -0.000) 0.000 18.554 ( -0.000 0.000 0.000) 0.000 18.707 ( -0.000 0.000 -0.000) 0.000 18.707 ( 0.000 0.000 0.000) 0.000 19.198 ( -0.000 0.000 -0.000) 0.000 19.198 ( -0.000 0.000 0.000) 0.000 19.277 ( -0.000 0.000 0.000) 0.000 19.277 ( -0.000 0.000 0.000) 0.000 19.592 ( -0.000 0.000 0.000) 0.000 19.592 ( -0.000 0.000 0.000) 0.000 19.730 ( -0.000 -0.000 0.000) 0.000 19.730 ( -0.000 -0.000 -0.000) 0.000 19.808 ( -0.000 0.000 0.000) 0.000 19.808 ( -0.000 0.000 0.000) 0.000 20.008 ( -0.000 0.000 0.000) 0.000 20.008 ( -0.000 0.000 0.000) 0.000 20.665 ( -0.000 0.000 -0.000) 0.000 20.665 ( -0.000 0.000 0.000) 0.000 21.044 ( -0.000 -0.000 0.000) 0.000 21.044 ( -0.000 0.000 0.000) 0.000 21.985 ( -0.000 -0.000 -0.000) 0.000 21.985 ( 0.000 0.000 -0.000) 0.000 22.012 ( -0.000 -0.000 0.000) 0.000 22.012 ( -0.000 0.000 0.000) 0.000 22.247 ( -0.000 0.000 0.000) 0.000 22.247 ( -0.000 0.000 0.000) 0.000 22.814 ( -0.000 0.000 0.000) 0.000 22.814 ( -0.000 0.000 0.000) 0.000 24.938 ( -0.000 0.000 0.000) 0.000 24.938 ( -0.000 0.000 0.000) 0.000 26.048 ( -0.000 0.000 0.000) 0.000 26.048 ( -0.000 0.000 0.000) 0.000 26.622 ( -0.000 -0.000 0.000) 0.000 26.622 ( -0.000 0.000 0.000) 0.000 26.815 ( -0.000 -0.000 0.000) 0.000 26.815 ( -0.000 0.000 0.000) 0.000 27.209 ( -0.000 0.000 -0.000) 0.000 27.209 ( -0.000 0.000 0.000) 0.000 27.369 ( -0.000 0.000 0.000) 0.000 27.369 ( 0.000 0.000 0.000) 0.000 28.282 ( 0.000 0.000 -0.000) 0.000 28.282 ( -0.000 0.000 0.000) 0.000 28.359 ( 0.000 -0.000 -0.000) 0.000 28.359 ( -0.000 -0.000 0.000) 0.000 28.899 ( -0.000 0.000 0.000) 0.000 28.899 ( -0.000 0.000 0.000) 0.000 29.679 ( -0.000 0.000 0.000) 0.000 29.679 ( -0.000 0.000 0.000) 0.000 30.776 ( 0.000 -0.000 0.000) 0.000 30.776 ( 0.000 0.000 0.000) 0.000 30.807 ( -0.000 -0.000 -0.000) 0.000 30.807 ( -0.000 0.000 -0.000) 0.000 31.289 ( -0.000 0.000 -0.000) 0.000 31.289 ( 0.000 0.000 0.000) 0.000 31.608 ( -0.000 0.000 0.000) 0.000 31.608 ( -0.000 0.000 0.000) 0.000 32.992 ( -0.000 0.000 -0.000) 0.000 32.992 ( -0.000 0.000 0.000) 0.000 33.007 ( 0.000 0.000 -0.000) 0.000 33.007 ( -0.000 -0.000 0.000) 0.000 33.794 ( -0.000 0.000 -0.000) 0.000 33.794 ( -0.000 0.000 0.000) 0.000 34.065 ( -0.000 0.000 0.000) 0.000 34.065 ( -0.000 0.000 0.000) 0.000 38.066 ( -0.000 0.000 -0.000) 0.000 38.066 ( -0.000 0.000 0.000) 0.000 38.240 ( -0.000 0.000 -0.000) 0.000 38.240 ( 0.000 0.000 0.000) 0.000 38.541 ( -0.000 0.000 0.000) 0.000 38.541 ( -0.000 0.000 0.000) 0.000 39.079 ( -0.000 0.000 0.000) 0.000 39.079 ( -0.000 0.000 0.000) 0.000 39.662 ( 0.000 -0.000 -0.000) 0.000 39.662 ( 0.000 0.000 -0.000) 0.000 39.673 ( -0.000 -0.000 0.000) 0.000 39.673 ( -0.000 0.000 0.000) 0.000 40.342 ( -0.000 0.000 -0.000) 0.000 40.342 ( -0.000 0.000 0.000) 0.000 40.676 ( -0.000 0.000 0.000) 0.000 40.676 ( -0.000 0.000 0.000) 0.000 41.164 ( -0.000 0.000 -0.000) 0.000 41.164 ( -0.000 0.000 0.000) 0.000 41.587 ( -0.000 -0.000 -0.000) 0.000 41.587 ( -0.000 0.000 0.000) 0.000 42.641 ( -0.000 -0.000 -0.000) 0.000 42.641 ( -0.000 0.000 -0.000) 0.000 42.725 ( -0.000 -0.000 0.000) 0.000 42.725 ( -0.000 0.000 0.000) 0.000 =================== 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 3/34560 10.0 868.228 779.277 947.111 0.000 335.174 0.000 3/34560 20.0 201.273 156.138 169.754 0.000 37.780 0.000 3/34560 30.0 80.343 53.901 57.756 0.000 12.266 0.000 3/34560 40.0 42.239 27.313 29.355 0.000 5.976 0.000 3/34560 50.0 26.767 17.069 18.516 0.000 3.605 0.000 3/34560 60.0 19.096 12.091 13.253 0.000 2.469 0.000 3/34560 70.0 14.716 9.276 10.263 0.000 1.835 0.000 3/34560 80.0 11.949 7.506 8.369 0.000 1.442 0.000 3/34560 90.0 10.066 6.306 7.072 0.000 1.179 0.000 3/34560 100.0 8.714 5.445 6.133 0.000 0.992 0.000 3/34560 110.0 7.701 4.799 5.423 0.000 0.854 0.000 3/34560 120.0 6.916 4.299 4.869 0.000 0.747 0.000 3/34560 130.0 6.293 3.901 4.425 0.000 0.661 0.000 3/34560 140.0 5.787 3.576 4.061 0.000 0.592 0.000 3/34560 150.0 5.369 3.307 3.759 0.000 0.534 0.000 3/34560 160.0 5.017 3.080 3.503 0.000 0.486 0.000 3/34560 170.0 4.718 2.886 3.283 0.000 0.444 0.000 3/34560 180.0 4.459 2.718 3.093 0.000 0.408 0.000 3/34560 190.0 4.234 2.570 2.927 0.000 0.377 0.000 3/34560 200.0 4.036 2.440 2.780 0.000 0.349 0.000 3/34560 210.0 3.859 2.324 2.649 0.000 0.325 0.000 3/34560 220.0 3.701 2.221 2.532 0.000 0.303 0.000 3/34560 230.0 3.558 2.127 2.426 0.000 0.284 0.000 3/34560 240.0 3.428 2.041 2.330 0.000 0.266 0.000 3/34560 250.0 3.309 1.963 2.242 0.000 0.251 0.000 3/34560 260.0 3.200 1.892 2.161 0.000 0.237 0.000 3/34560 270.0 3.099 1.825 2.087 0.000 0.224 0.000 3/34560 280.0 3.005 1.764 2.018 0.000 0.212 0.000 3/34560 290.0 2.917 1.708 1.954 0.000 0.201 0.000 3/34560 300.0 2.836 1.655 1.895 0.000 0.192 0.000 3/34560 310.0 2.759 1.605 1.839 0.000 0.183 0.000 3/34560 320.0 2.687 1.559 1.787 0.000 0.175 0.000 3/34560 330.0 2.619 1.515 1.739 0.000 0.167 0.000 3/34560 340.0 2.555 1.474 1.693 0.000 0.160 0.000 3/34560 350.0 2.494 1.435 1.649 0.000 0.153 0.000 3/34560 360.0 2.436 1.399 1.608 0.000 0.147 0.000 3/34560 370.0 2.381 1.364 1.569 0.000 0.142 0.000 3/34560 380.0 2.328 1.331 1.533 0.000 0.137 0.000 3/34560 390.0 2.278 1.300 1.498 0.000 0.132 0.000 3/34560 400.0 2.230 1.270 1.464 0.000 0.127 0.000 3/34560 410.0 2.185 1.242 1.432 0.000 0.123 0.000 3/34560 420.0 2.141 1.215 1.402 0.000 0.119 0.000 3/34560 430.0 2.099 1.189 1.373 0.000 0.115 0.000 3/34560 440.0 2.058 1.164 1.345 0.000 0.112 0.000 3/34560 450.0 2.020 1.140 1.319 0.000 0.108 0.000 3/34560 460.0 1.982 1.118 1.293 0.000 0.105 0.000 3/34560 470.0 1.946 1.096 1.269 0.000 0.102 0.000 3/34560 480.0 1.911 1.075 1.245 0.000 0.099 0.000 3/34560 490.0 1.878 1.055 1.223 0.000 0.097 0.000 3/34560 500.0 1.846 1.035 1.201 0.000 0.094 0.000 3/34560 510.0 1.815 1.017 1.180 0.000 0.092 0.000 3/34560 520.0 1.784 0.999 1.160 0.000 0.089 0.000 3/34560 530.0 1.755 0.981 1.140 0.000 0.087 0.000 3/34560 540.0 1.727 0.965 1.122 0.000 0.085 0.000 3/34560 550.0 1.700 0.949 1.103 0.000 0.083 0.000 3/34560 560.0 1.673 0.933 1.086 0.000 0.081 0.000 3/34560 570.0 1.648 0.918 1.069 0.000 0.079 0.000 3/34560 580.0 1.623 0.903 1.052 0.000 0.078 0.000 3/34560 590.0 1.599 0.889 1.036 0.000 0.076 0.000 3/34560 600.0 1.575 0.876 1.021 0.000 0.074 0.000 3/34560 610.0 1.553 0.862 1.006 0.000 0.073 0.000 3/34560 620.0 1.530 0.849 0.991 0.000 0.071 0.000 3/34560 630.0 1.509 0.837 0.977 0.000 0.070 0.000 3/34560 640.0 1.488 0.825 0.964 0.000 0.069 0.000 3/34560 650.0 1.468 0.813 0.950 0.000 0.067 0.000 3/34560 660.0 1.448 0.802 0.937 0.000 0.066 0.000 3/34560 670.0 1.429 0.791 0.925 0.000 0.065 0.000 3/34560 680.0 1.410 0.780 0.912 0.000 0.064 0.000 3/34560 690.0 1.392 0.769 0.900 0.000 0.063 0.000 3/34560 700.0 1.374 0.759 0.889 0.000 0.062 0.000 3/34560 710.0 1.356 0.749 0.878 0.000 0.061 0.000 3/34560 720.0 1.339 0.739 0.866 0.000 0.060 0.000 3/34560 730.0 1.323 0.730 0.856 0.000 0.059 0.000 3/34560 740.0 1.307 0.721 0.845 0.000 0.058 0.000 3/34560 750.0 1.291 0.712 0.835 0.000 0.057 0.000 3/34560 760.0 1.276 0.703 0.825 0.000 0.056 0.000 3/34560 770.0 1.261 0.695 0.815 0.000 0.055 0.000 3/34560 780.0 1.246 0.686 0.806 0.000 0.054 0.000 3/34560 790.0 1.232 0.678 0.797 0.000 0.053 0.000 3/34560 800.0 1.218 0.670 0.787 0.000 0.053 0.000 3/34560 810.0 1.204 0.662 0.779 0.000 0.052 0.000 3/34560 820.0 1.191 0.655 0.770 0.000 0.051 0.000 3/34560 830.0 1.177 0.647 0.761 0.000 0.050 0.000 3/34560 840.0 1.165 0.640 0.753 0.000 0.050 0.000 3/34560 850.0 1.152 0.633 0.745 0.000 0.049 0.000 3/34560 860.0 1.140 0.626 0.737 0.000 0.048 0.000 3/34560 870.0 1.128 0.619 0.729 0.000 0.048 0.000 3/34560 880.0 1.116 0.613 0.722 0.000 0.047 0.000 3/34560 890.0 1.104 0.606 0.714 0.000 0.047 0.000 3/34560 900.0 1.093 0.600 0.707 0.000 0.046 0.000 3/34560 910.0 1.082 0.594 0.700 0.000 0.045 0.000 3/34560 920.0 1.071 0.588 0.693 0.000 0.045 0.000 3/34560 930.0 1.061 0.582 0.686 0.000 0.044 0.000 3/34560 940.0 1.050 0.576 0.679 0.000 0.044 0.000 3/34560 950.0 1.040 0.570 0.673 0.000 0.043 0.000 3/34560 960.0 1.030 0.565 0.666 0.000 0.043 0.000 3/34560 970.0 1.020 0.559 0.660 0.000 0.042 0.000 3/34560 980.0 1.010 0.554 0.654 0.000 0.042 0.000 3/34560 990.0 1.001 0.548 0.648 0.000 0.041 0.000 3/34560 1000.0 0.992 0.543 0.642 0.000 0.041 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m846.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:36:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|