----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:56:49]------------------------- 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 8.495592390004123 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): *1 Li 0.26950401631546 0.90588899734966 0.19478574859111 6.941 2 Li 0.73049598368454 0.40588899734966 0.30521425140889 6.941 3 Li 0.26950401631546 0.59411100265034 0.69478574859111 6.941 4 Li 0.73049598368454 0.09411100265034 0.80521425140889 6.941 *5 O 0.98508848493114 0.12542946863951 0.93555162213649 15.999 *6 O 0.74185411874920 0.42059988789774 0.68500104736814 15.999 *7 O 0.45743411203881 0.10759311412753 0.39457918534169 15.999 *8 O 0.16098625905261 0.31136772057438 0.09896100609316 15.999 *9 O 0.16941505935752 0.63462754142414 0.08203408723069 15.999 *10 O 0.86615004379779 0.99473956672642 0.74841887607592 15.999 *11 O 0.45577298478694 0.79036562761228 0.32331198673626 15.999 *12 O 0.61177572220363 0.58740014484351 0.46965747690744 15.999 *13 O 0.83602273310530 0.72376708369296 0.68490717352292 15.999 *14 O 0.13554692680256 0.82579441123823 0.94623995853068 15.999 *15 O 0.78414440962425 0.93884969533531 0.55810947014690 15.999 *16 O 0.50454385975444 0.51981016440508 0.27623945491642 15.999 17 O 0.49545614024556 0.01981016440508 0.22376054508358 15.999 18 O 0.21585559037575 0.43884969533531 0.94189052985310 15.999 19 O 0.86445307319745 0.32579441123823 0.55376004146932 15.999 20 O 0.16397726689470 0.22376708369296 0.81509282647708 15.999 21 O 0.38822427779637 0.08740014484351 0.03034252309256 15.999 22 O 0.54422701521306 0.29036562761228 0.17668801326374 15.999 23 O 0.13384995620221 0.49473956672642 0.75158112392408 15.999 24 O 0.83058494064248 0.13462754142414 0.41796591276931 15.999 25 O 0.83901374094739 0.81136772057438 0.40103899390684 15.999 26 O 0.54256588796119 0.60759311412753 0.10542081465831 15.999 27 O 0.25814588125080 0.92059988789774 0.81499895263186 15.999 28 O 0.01491151506886 0.62542946863951 0.56444837786351 15.999 29 O 0.98508848493114 0.37457053136049 0.43555162213649 15.999 30 O 0.74185411874920 0.07940011210226 0.18500104736814 15.999 31 O 0.45743411203881 0.39240688587247 0.89457918534169 15.999 32 O 0.16098625905261 0.18863227942562 0.59896100609316 15.999 33 O 0.16941505935752 0.86537245857586 0.58203408723069 15.999 34 O 0.86615004379779 0.50526043327358 0.24841887607592 15.999 35 O 0.45577298478694 0.70963437238772 0.82331198673626 15.999 36 O 0.61177572220363 0.91259985515649 0.96965747690744 15.999 37 O 0.83602273310530 0.77623291630704 0.18490717352292 15.999 38 O 0.13554692680256 0.67420558876177 0.44623995853068 15.999 39 O 0.78414440962425 0.56115030466469 0.05810947014690 15.999 40 O 0.50454385975444 0.98018983559492 0.77623945491642 15.999 41 O 0.49545614024556 0.48018983559492 0.72376054508358 15.999 42 O 0.21585559037575 0.06115030466469 0.44189052985310 15.999 43 O 0.86445307319745 0.17420558876177 0.05376004146932 15.999 44 O 0.16397726689470 0.27623291630704 0.31509282647708 15.999 45 O 0.38822427779637 0.41259985515649 0.53034252309256 15.999 46 O 0.54422701521306 0.20963437238773 0.67668801326374 15.999 47 O 0.13384995620221 0.00526043327358 0.25158112392408 15.999 48 O 0.83058494064248 0.36537245857586 0.91796591276931 15.999 49 O 0.83901374094739 0.68863227942562 0.90103899390684 15.999 50 O 0.54256588796119 0.89240688587247 0.60542081465831 15.999 51 O 0.25814588125080 0.57940011210226 0.31499895263186 15.999 52 O 0.01491151506886 0.87457053136049 0.06444837786351 15.999 *53 P 0.03343031401851 0.75273536668033 0.99404399775973 30.974 *54 P 0.75487079546289 0.88594313619727 0.64717998078757 30.974 *55 P 0.46016572739849 0.61661141861186 0.34794347432898 30.974 56 P 0.53983427260151 0.11661141861186 0.15205652567102 30.974 57 P 0.24512920453711 0.38594313619727 0.85282001921243 30.974 58 P 0.96656968598149 0.25273536668033 0.50595600224027 30.974 59 P 0.03343031401851 0.74726463331967 0.49404399775973 30.974 60 P 0.75487079546289 0.61405686380273 0.14717998078757 30.974 61 P 0.46016572739849 0.88338858138814 0.84794347432898 30.974 62 P 0.53983427260151 0.38338858138814 0.65205652567102 30.974 63 P 0.24512920453711 0.11405686380273 0.35282001921243 30.974 64 P 0.96656968598149 0.24726463331967 0.00595600224027 30.974 *65 Sn 0.34900553716167 0.46706266909507 0.10586282196396 118.710 *66 Sn 0.85694767113181 0.53070286782538 0.61639063501064 118.710 67 Sn 0.65099446283833 0.96706266909507 0.39413717803604 118.710 68 Sn 0.14305232886819 0.03070286782538 0.88360936498936 118.710 69 Sn 0.85694767113181 0.96929713217462 0.11639063501064 118.710 70 Sn 0.34900553716167 0.03293733090493 0.60586282196396 118.710 71 Sn 0.14305232886819 0.46929713217462 0.38360936498936 118.710 72 Sn 0.65099446283833 0.53293733090493 0.89413717803604 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.495592390004123 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): *1 Li 0.26950401631546 0.90588899734966 0.19478574859111 6.941 > 1 2 Li 0.73049598368454 0.40588899734966 0.30521425140889 6.941 > 2 3 Li 0.26950401631546 0.59411100265034 0.69478574859111 6.941 > 3 4 Li 0.73049598368454 0.09411100265034 0.80521425140889 6.941 > 4 *5 O 0.98508848493114 0.12542946863951 0.93555162213649 15.999 > 5 *6 O 0.74185411874920 0.42059988789774 0.68500104736814 15.999 > 6 *7 O 0.45743411203881 0.10759311412753 0.39457918534169 15.999 > 7 *8 O 0.16098625905261 0.31136772057438 0.09896100609316 15.999 > 8 *9 O 0.16941505935752 0.63462754142414 0.08203408723069 15.999 > 9 *10 O 0.86615004379779 0.99473956672642 0.74841887607592 15.999 > 10 *11 O 0.45577298478694 0.79036562761228 0.32331198673626 15.999 > 11 *12 O 0.61177572220363 0.58740014484351 0.46965747690744 15.999 > 12 *13 O 0.83602273310530 0.72376708369296 0.68490717352292 15.999 > 13 *14 O 0.13554692680256 0.82579441123823 0.94623995853068 15.999 > 14 *15 O 0.78414440962425 0.93884969533531 0.55810947014690 15.999 > 15 *16 O 0.50454385975444 0.51981016440508 0.27623945491642 15.999 > 16 17 O 0.49545614024556 0.01981016440508 0.22376054508358 15.999 > 17 18 O 0.21585559037575 0.43884969533531 0.94189052985310 15.999 > 18 19 O 0.86445307319745 0.32579441123823 0.55376004146932 15.999 > 19 20 O 0.16397726689470 0.22376708369296 0.81509282647708 15.999 > 20 21 O 0.38822427779637 0.08740014484351 0.03034252309256 15.999 > 21 22 O 0.54422701521306 0.29036562761228 0.17668801326374 15.999 > 22 23 O 0.13384995620221 0.49473956672642 0.75158112392408 15.999 > 23 24 O 0.83058494064248 0.13462754142414 0.41796591276931 15.999 > 24 25 O 0.83901374094739 0.81136772057438 0.40103899390684 15.999 > 25 26 O 0.54256588796119 0.60759311412753 0.10542081465831 15.999 > 26 27 O 0.25814588125080 0.92059988789774 0.81499895263186 15.999 > 27 28 O 0.01491151506886 0.62542946863951 0.56444837786351 15.999 > 28 29 O 0.98508848493114 0.37457053136049 0.43555162213649 15.999 > 29 30 O 0.74185411874920 0.07940011210226 0.18500104736814 15.999 > 30 31 O 0.45743411203881 0.39240688587247 0.89457918534169 15.999 > 31 32 O 0.16098625905261 0.18863227942562 0.59896100609316 15.999 > 32 33 O 0.16941505935752 0.86537245857586 0.58203408723069 15.999 > 33 34 O 0.86615004379779 0.50526043327358 0.24841887607592 15.999 > 34 35 O 0.45577298478694 0.70963437238772 0.82331198673626 15.999 > 35 36 O 0.61177572220363 0.91259985515649 0.96965747690744 15.999 > 36 37 O 0.83602273310530 0.77623291630704 0.18490717352292 15.999 > 37 38 O 0.13554692680256 0.67420558876177 0.44623995853068 15.999 > 38 39 O 0.78414440962425 0.56115030466469 0.05810947014690 15.999 > 39 40 O 0.50454385975444 0.98018983559492 0.77623945491642 15.999 > 40 41 O 0.49545614024556 0.48018983559492 0.72376054508358 15.999 > 41 42 O 0.21585559037575 0.06115030466469 0.44189052985310 15.999 > 42 43 O 0.86445307319745 0.17420558876177 0.05376004146932 15.999 > 43 44 O 0.16397726689470 0.27623291630704 0.31509282647708 15.999 > 44 45 O 0.38822427779637 0.41259985515649 0.53034252309256 15.999 > 45 46 O 0.54422701521306 0.20963437238773 0.67668801326374 15.999 > 46 47 O 0.13384995620221 0.00526043327358 0.25158112392408 15.999 > 47 48 O 0.83058494064248 0.36537245857586 0.91796591276931 15.999 > 48 49 O 0.83901374094739 0.68863227942562 0.90103899390684 15.999 > 49 50 O 0.54256588796119 0.89240688587247 0.60542081465831 15.999 > 50 51 O 0.25814588125080 0.57940011210226 0.31499895263186 15.999 > 51 52 O 0.01491151506886 0.87457053136049 0.06444837786351 15.999 > 52 *53 P 0.03343031401851 0.75273536668033 0.99404399775973 30.974 > 53 *54 P 0.75487079546289 0.88594313619727 0.64717998078757 30.974 > 54 *55 P 0.46016572739849 0.61661141861186 0.34794347432898 30.974 > 55 56 P 0.53983427260151 0.11661141861186 0.15205652567102 30.974 > 56 57 P 0.24512920453711 0.38594313619727 0.85282001921243 30.974 > 57 58 P 0.96656968598149 0.25273536668033 0.50595600224027 30.974 > 58 59 P 0.03343031401851 0.74726463331967 0.49404399775973 30.974 > 59 60 P 0.75487079546289 0.61405686380273 0.14717998078757 30.974 > 60 61 P 0.46016572739849 0.88338858138814 0.84794347432898 30.974 > 61 62 P 0.53983427260151 0.38338858138814 0.65205652567102 30.974 > 62 63 P 0.24512920453711 0.11405686380273 0.35282001921243 30.974 > 63 64 P 0.96656968598149 0.24726463331967 0.00595600224027 30.974 > 64 *65 Sn 0.34900553716167 0.46706266909507 0.10586282196396 118.710 > 65 *66 Sn 0.85694767113181 0.53070286782538 0.61639063501064 118.710 > 66 67 Sn 0.65099446283833 0.96706266909507 0.39413717803604 118.710 > 67 68 Sn 0.14305232886819 0.03070286782538 0.88360936498936 118.710 > 68 69 Sn 0.85694767113181 0.96929713217462 0.11639063501064 118.710 > 69 70 Sn 0.34900553716167 0.03293733090493 0.60586282196396 118.710 > 70 71 Sn 0.14305232886819 0.46929713217462 0.38360936498936 118.710 > 71 72 Sn 0.65099446283833 0.53293733090493 0.89413717803604 118.710 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.991184780008247 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): *1 Li 0.13475200815773 0.90588899734966 0.19478574859111 6.941 > 1 2 Li 0.63475200815773 0.90588899734966 0.19478574859111 6.941 > 1 3 Li 0.36524799184227 0.40588899734966 0.30521425140889 6.941 > 2 4 Li 0.86524799184227 0.40588899734966 0.30521425140889 6.941 > 2 5 Li 0.13475200815773 0.59411100265034 0.69478574859111 6.941 > 3 6 Li 0.63475200815773 0.59411100265034 0.69478574859111 6.941 > 3 7 Li 0.36524799184227 0.09411100265034 0.80521425140889 6.941 > 4 8 Li 0.86524799184227 0.09411100265034 0.80521425140889 6.941 > 4 *9 O 0.49254424246557 0.12542946863951 0.93555162213649 15.999 > 5 10 O 0.99254424246557 0.12542946863951 0.93555162213649 15.999 > 5 *11 O 0.37092705937460 0.42059988789774 0.68500104736814 15.999 > 6 12 O 0.87092705937460 0.42059988789774 0.68500104736814 15.999 > 6 *13 O 0.22871705601940 0.10759311412753 0.39457918534169 15.999 > 7 14 O 0.72871705601940 0.10759311412753 0.39457918534169 15.999 > 7 *15 O 0.08049312952631 0.31136772057438 0.09896100609316 15.999 > 8 16 O 0.58049312952631 0.31136772057438 0.09896100609316 15.999 > 8 *17 O 0.08470752967876 0.63462754142414 0.08203408723069 15.999 > 9 18 O 0.58470752967876 0.63462754142414 0.08203408723069 15.999 > 9 *19 O 0.43307502189889 0.99473956672642 0.74841887607592 15.999 > 10 20 O 0.93307502189889 0.99473956672642 0.74841887607592 15.999 > 10 *21 O 0.22788649239347 0.79036562761228 0.32331198673626 15.999 > 11 22 O 0.72788649239347 0.79036562761228 0.32331198673626 15.999 > 11 *23 O 0.30588786110182 0.58740014484351 0.46965747690744 15.999 > 12 24 O 0.80588786110182 0.58740014484351 0.46965747690744 15.999 > 12 *25 O 0.41801136655265 0.72376708369296 0.68490717352292 15.999 > 13 26 O 0.91801136655265 0.72376708369296 0.68490717352292 15.999 > 13 *27 O 0.06777346340128 0.82579441123823 0.94623995853068 15.999 > 14 28 O 0.56777346340128 0.82579441123823 0.94623995853068 15.999 > 14 *29 O 0.39207220481213 0.93884969533531 0.55810947014690 15.999 > 15 30 O 0.89207220481213 0.93884969533531 0.55810947014690 15.999 > 15 *31 O 0.25227192987722 0.51981016440508 0.27623945491642 15.999 > 16 32 O 0.75227192987722 0.51981016440508 0.27623945491642 15.999 > 16 33 O 0.24772807012278 0.01981016440508 0.22376054508358 15.999 > 17 34 O 0.74772807012278 0.01981016440508 0.22376054508358 15.999 > 17 35 O 0.10792779518787 0.43884969533531 0.94189052985310 15.999 > 18 36 O 0.60792779518787 0.43884969533531 0.94189052985310 15.999 > 18 37 O 0.43222653659872 0.32579441123823 0.55376004146932 15.999 > 19 38 O 0.93222653659872 0.32579441123823 0.55376004146932 15.999 > 19 39 O 0.08198863344735 0.22376708369296 0.81509282647708 15.999 > 20 40 O 0.58198863344735 0.22376708369296 0.81509282647708 15.999 > 20 41 O 0.19411213889818 0.08740014484351 0.03034252309256 15.999 > 21 42 O 0.69411213889818 0.08740014484351 0.03034252309256 15.999 > 21 43 O 0.27211350760653 0.29036562761228 0.17668801326374 15.999 > 22 44 O 0.77211350760653 0.29036562761228 0.17668801326374 15.999 > 22 45 O 0.06692497810111 0.49473956672642 0.75158112392408 15.999 > 23 46 O 0.56692497810111 0.49473956672642 0.75158112392408 15.999 > 23 47 O 0.41529247032124 0.13462754142414 0.41796591276931 15.999 > 24 48 O 0.91529247032124 0.13462754142414 0.41796591276931 15.999 > 24 49 O 0.41950687047369 0.81136772057438 0.40103899390684 15.999 > 25 50 O 0.91950687047369 0.81136772057438 0.40103899390684 15.999 > 25 51 O 0.27128294398060 0.60759311412753 0.10542081465831 15.999 > 26 52 O 0.77128294398060 0.60759311412753 0.10542081465831 15.999 > 26 53 O 0.12907294062540 0.92059988789774 0.81499895263186 15.999 > 27 54 O 0.62907294062540 0.92059988789774 0.81499895263186 15.999 > 27 55 O 0.00745575753443 0.62542946863951 0.56444837786351 15.999 > 28 56 O 0.50745575753443 0.62542946863951 0.56444837786351 15.999 > 28 57 O 0.49254424246557 0.37457053136049 0.43555162213649 15.999 > 29 58 O 0.99254424246557 0.37457053136049 0.43555162213649 15.999 > 29 59 O 0.37092705937460 0.07940011210226 0.18500104736814 15.999 > 30 60 O 0.87092705937460 0.07940011210226 0.18500104736814 15.999 > 30 61 O 0.22871705601940 0.39240688587247 0.89457918534169 15.999 > 31 62 O 0.72871705601940 0.39240688587247 0.89457918534169 15.999 > 31 63 O 0.08049312952631 0.18863227942562 0.59896100609316 15.999 > 32 64 O 0.58049312952631 0.18863227942562 0.59896100609316 15.999 > 32 65 O 0.08470752967876 0.86537245857586 0.58203408723069 15.999 > 33 66 O 0.58470752967876 0.86537245857586 0.58203408723069 15.999 > 33 67 O 0.43307502189889 0.50526043327358 0.24841887607592 15.999 > 34 68 O 0.93307502189889 0.50526043327358 0.24841887607592 15.999 > 34 69 O 0.22788649239347 0.70963437238772 0.82331198673626 15.999 > 35 70 O 0.72788649239347 0.70963437238772 0.82331198673626 15.999 > 35 71 O 0.30588786110182 0.91259985515649 0.96965747690744 15.999 > 36 72 O 0.80588786110182 0.91259985515649 0.96965747690744 15.999 > 36 73 O 0.41801136655265 0.77623291630704 0.18490717352292 15.999 > 37 74 O 0.91801136655265 0.77623291630704 0.18490717352292 15.999 > 37 75 O 0.06777346340128 0.67420558876177 0.44623995853068 15.999 > 38 76 O 0.56777346340128 0.67420558876177 0.44623995853068 15.999 > 38 77 O 0.39207220481213 0.56115030466469 0.05810947014690 15.999 > 39 78 O 0.89207220481213 0.56115030466469 0.05810947014690 15.999 > 39 79 O 0.25227192987722 0.98018983559492 0.77623945491642 15.999 > 40 80 O 0.75227192987722 0.98018983559492 0.77623945491642 15.999 > 40 81 O 0.24772807012278 0.48018983559492 0.72376054508358 15.999 > 41 82 O 0.74772807012278 0.48018983559492 0.72376054508358 15.999 > 41 83 O 0.10792779518787 0.06115030466469 0.44189052985310 15.999 > 42 84 O 0.60792779518787 0.06115030466469 0.44189052985310 15.999 > 42 85 O 0.43222653659872 0.17420558876177 0.05376004146932 15.999 > 43 86 O 0.93222653659872 0.17420558876177 0.05376004146932 15.999 > 43 87 O 0.08198863344735 0.27623291630704 0.31509282647708 15.999 > 44 88 O 0.58198863344735 0.27623291630704 0.31509282647708 15.999 > 44 89 O 0.19411213889818 0.41259985515649 0.53034252309256 15.999 > 45 90 O 0.69411213889818 0.41259985515649 0.53034252309256 15.999 > 45 91 O 0.27211350760653 0.20963437238773 0.67668801326374 15.999 > 46 92 O 0.77211350760653 0.20963437238773 0.67668801326374 15.999 > 46 93 O 0.06692497810111 0.00526043327358 0.25158112392408 15.999 > 47 94 O 0.56692497810111 0.00526043327358 0.25158112392408 15.999 > 47 95 O 0.41529247032124 0.36537245857586 0.91796591276931 15.999 > 48 96 O 0.91529247032124 0.36537245857586 0.91796591276931 15.999 > 48 97 O 0.41950687047369 0.68863227942562 0.90103899390684 15.999 > 49 98 O 0.91950687047369 0.68863227942562 0.90103899390684 15.999 > 49 99 O 0.27128294398060 0.89240688587247 0.60542081465831 15.999 > 50 100 O 0.77128294398060 0.89240688587247 0.60542081465831 15.999 > 50 101 O 0.12907294062540 0.57940011210226 0.31499895263186 15.999 > 51 102 O 0.62907294062540 0.57940011210226 0.31499895263186 15.999 > 51 103 O 0.00745575753443 0.87457053136049 0.06444837786351 15.999 > 52 104 O 0.50745575753443 0.87457053136049 0.06444837786351 15.999 > 52 *105 P 0.01671515700926 0.75273536668033 0.99404399775973 30.974 > 53 106 P 0.51671515700926 0.75273536668033 0.99404399775973 30.974 > 53 *107 P 0.37743539773145 0.88594313619727 0.64717998078757 30.974 > 54 108 P 0.87743539773145 0.88594313619727 0.64717998078757 30.974 > 54 *109 P 0.23008286369924 0.61661141861186 0.34794347432898 30.974 > 55 110 P 0.73008286369924 0.61661141861186 0.34794347432898 30.974 > 55 111 P 0.26991713630076 0.11661141861186 0.15205652567102 30.974 > 56 112 P 0.76991713630076 0.11661141861186 0.15205652567102 30.974 > 56 113 P 0.12256460226855 0.38594313619727 0.85282001921243 30.974 > 57 114 P 0.62256460226855 0.38594313619727 0.85282001921243 30.974 > 57 115 P 0.48328484299074 0.25273536668033 0.50595600224027 30.974 > 58 116 P 0.98328484299074 0.25273536668033 0.50595600224027 30.974 > 58 117 P 0.01671515700926 0.74726463331967 0.49404399775973 30.974 > 59 118 P 0.51671515700926 0.74726463331967 0.49404399775973 30.974 > 59 119 P 0.37743539773145 0.61405686380273 0.14717998078757 30.974 > 60 120 P 0.87743539773145 0.61405686380273 0.14717998078757 30.974 > 60 121 P 0.23008286369924 0.88338858138814 0.84794347432898 30.974 > 61 122 P 0.73008286369924 0.88338858138814 0.84794347432898 30.974 > 61 123 P 0.26991713630076 0.38338858138814 0.65205652567102 30.974 > 62 124 P 0.76991713630076 0.38338858138814 0.65205652567102 30.974 > 62 125 P 0.12256460226855 0.11405686380273 0.35282001921243 30.974 > 63 126 P 0.62256460226855 0.11405686380273 0.35282001921243 30.974 > 63 127 P 0.48328484299074 0.24726463331967 0.00595600224027 30.974 > 64 128 P 0.98328484299074 0.24726463331967 0.00595600224027 30.974 > 64 *129 Sn 0.17450276858083 0.46706266909507 0.10586282196396 118.710 > 65 130 Sn 0.67450276858083 0.46706266909507 0.10586282196396 118.710 > 65 *131 Sn 0.42847383556590 0.53070286782538 0.61639063501064 118.710 > 66 132 Sn 0.92847383556590 0.53070286782538 0.61639063501064 118.710 > 66 133 Sn 0.32549723141917 0.96706266909507 0.39413717803604 118.710 > 67 134 Sn 0.82549723141917 0.96706266909507 0.39413717803604 118.710 > 67 135 Sn 0.07152616443410 0.03070286782538 0.88360936498936 118.710 > 68 136 Sn 0.57152616443410 0.03070286782538 0.88360936498936 118.710 > 68 137 Sn 0.42847383556590 0.96929713217462 0.11639063501064 118.710 > 69 138 Sn 0.92847383556590 0.96929713217462 0.11639063501064 118.710 > 69 139 Sn 0.17450276858083 0.03293733090493 0.60586282196396 118.710 > 70 140 Sn 0.67450276858083 0.03293733090493 0.60586282196396 118.710 > 70 141 Sn 0.07152616443410 0.46929713217462 0.38360936498936 118.710 > 71 142 Sn 0.57152616443410 0.46929713217462 0.38360936498936 118.710 > 71 143 Sn 0.32549723141917 0.53293733090493 0.89413717803604 118.710 > 72 144 Sn 0.82549723141917 0.53293733090493 0.89413717803604 118.710 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9669953 0.0000000 0.0133750 0.0000000 2.9685507 0.0000000 0.0133766 0.0000000 2.9358168 -------------------------- Born effective charges -------------------------- 1 Li 1.0842286 -0.0130298 0.0975905 -0.0008998 1.0313336 0.0447137 0.0627423 0.0287879 1.1360006 2 Li 1.0842286 0.0130298 0.0975905 0.0008998 1.0313336 -0.0447137 0.0627423 -0.0287879 1.1360006 3 Li 1.0842286 0.0130298 0.0975905 0.0008998 1.0313336 -0.0447137 0.0627423 -0.0287879 1.1360006 4 Li 1.0842286 -0.0130298 0.0975905 -0.0008998 1.0313336 0.0447137 0.0627423 0.0287879 1.1360006 5 O -1.8696444 0.7415981 0.4824843 0.5930198 -1.9090860 -0.6211504 0.3700490 -0.5493696 -1.5183141 6 O -2.8316646 -0.6182124 -0.1009120 -0.7640115 -1.2593652 0.0473016 0.1484944 0.0409574 -1.0881166 7 O -2.8019143 0.4261999 -0.4605219 0.6478750 -1.1610811 0.1120484 -0.2450648 -0.0401777 -1.2110234 8 O -1.8856540 -0.5478798 -0.7270877 -0.6865153 -1.5833141 -0.4899414 -0.5141546 -0.2906931 -1.4837635 9 O -1.4604279 0.7221895 -0.6017184 0.5728556 -2.1517106 0.8364238 -0.3319900 0.5747979 -1.6196375 10 O -1.3003164 -0.1422465 -0.3770563 0.0563923 -1.5459012 -0.6938322 -0.3247613 -0.9525606 -2.5774207 11 O -1.1875364 -0.4683259 -0.1721812 -0.3732054 -2.9018478 0.1221341 -0.1211857 -0.0538697 -1.2738615 12 O -1.2450980 0.1092443 -0.6113882 0.0375407 -1.1331123 0.3003873 -0.3565907 0.2522045 -2.8353846 13 O -1.2124667 0.5604624 -0.0272300 0.6218934 -2.7443114 0.2112118 0.1111898 -0.1076608 -1.1218052 14 O -1.9222781 -0.6419549 0.4340419 -0.9399572 -1.8580535 0.4705548 0.5501079 0.4538387 -1.3084821 15 O -1.5978095 -0.1721652 0.6692569 -0.1565337 -1.1428645 0.4013954 0.8812275 0.3962833 -2.3469013 16 O -1.6626598 0.5000490 0.4820369 0.5224130 -1.5001906 -0.5663858 0.7103877 -0.7999847 -2.2086605 17 O -1.6626598 -0.5000490 0.4820369 -0.5224130 -1.5001906 0.5663858 0.7103877 0.7999847 -2.2086605 18 O -1.5978095 0.1721652 0.6692569 0.1565337 -1.1428645 -0.4013954 0.8812275 -0.3962833 -2.3469013 19 O -1.9222781 0.6419549 0.4340419 0.9399572 -1.8580535 -0.4705548 0.5501079 -0.4538387 -1.3084821 20 O -1.2124667 -0.5604624 -0.0272300 -0.6218934 -2.7443114 -0.2112118 0.1111898 0.1076608 -1.1218052 21 O -1.2450980 -0.1092443 -0.6113882 -0.0375407 -1.1331123 -0.3003873 -0.3565907 -0.2522045 -2.8353846 22 O -1.1875364 0.4683259 -0.1721812 0.3732054 -2.9018478 -0.1221341 -0.1211857 0.0538697 -1.2738615 23 O -1.3003164 0.1422465 -0.3770563 -0.0563923 -1.5459012 0.6938322 -0.3247613 0.9525606 -2.5774207 24 O -1.4604279 -0.7221895 -0.6017184 -0.5728556 -2.1517106 -0.8364238 -0.3319900 -0.5747979 -1.6196375 25 O -1.8856540 0.5478798 -0.7270877 0.6865153 -1.5833141 0.4899414 -0.5141546 0.2906931 -1.4837635 26 O -2.8019143 -0.4261999 -0.4605219 -0.6478750 -1.1610811 -0.1120484 -0.2450648 0.0401777 -1.2110234 27 O -2.8316646 0.6182124 -0.1009120 0.7640115 -1.2593652 -0.0473016 0.1484944 -0.0409574 -1.0881166 28 O -1.8696444 -0.7415981 0.4824843 -0.5930198 -1.9090860 0.6211504 0.3700490 0.5493696 -1.5183141 29 O -1.8696444 -0.7415981 0.4824843 -0.5930198 -1.9090860 0.6211504 0.3700490 0.5493696 -1.5183141 30 O -2.8316646 0.6182124 -0.1009120 0.7640115 -1.2593652 -0.0473016 0.1484944 -0.0409574 -1.0881166 31 O -2.8019143 -0.4261999 -0.4605219 -0.6478750 -1.1610811 -0.1120484 -0.2450648 0.0401777 -1.2110234 32 O -1.8856540 0.5478798 -0.7270877 0.6865153 -1.5833141 0.4899414 -0.5141546 0.2906931 -1.4837635 33 O -1.4604279 -0.7221895 -0.6017184 -0.5728556 -2.1517106 -0.8364238 -0.3319900 -0.5747979 -1.6196375 34 O -1.3003164 0.1422465 -0.3770563 -0.0563923 -1.5459012 0.6938322 -0.3247613 0.9525606 -2.5774207 35 O -1.1875364 0.4683259 -0.1721812 0.3732054 -2.9018478 -0.1221341 -0.1211857 0.0538697 -1.2738615 36 O -1.2450980 -0.1092443 -0.6113882 -0.0375407 -1.1331123 -0.3003873 -0.3565907 -0.2522045 -2.8353846 37 O -1.2124667 -0.5604624 -0.0272300 -0.6218934 -2.7443114 -0.2112118 0.1111898 0.1076608 -1.1218052 38 O -1.9222781 0.6419549 0.4340419 0.9399572 -1.8580535 -0.4705548 0.5501079 -0.4538387 -1.3084821 39 O -1.5978095 0.1721652 0.6692569 0.1565337 -1.1428645 -0.4013954 0.8812275 -0.3962833 -2.3469013 40 O -1.6626598 -0.5000490 0.4820369 -0.5224130 -1.5001906 0.5663858 0.7103877 0.7999847 -2.2086605 41 O -1.6626598 0.5000490 0.4820369 0.5224130 -1.5001906 -0.5663858 0.7103877 -0.7999847 -2.2086605 42 O -1.5978095 -0.1721652 0.6692569 -0.1565337 -1.1428645 0.4013954 0.8812275 0.3962833 -2.3469013 43 O -1.9222781 -0.6419549 0.4340419 -0.9399572 -1.8580535 0.4705548 0.5501079 0.4538387 -1.3084821 44 O -1.2124667 0.5604624 -0.0272300 0.6218934 -2.7443114 0.2112118 0.1111898 -0.1076608 -1.1218052 45 O -1.2450980 0.1092443 -0.6113882 0.0375407 -1.1331123 0.3003873 -0.3565907 0.2522045 -2.8353846 46 O -1.1875364 -0.4683259 -0.1721812 -0.3732054 -2.9018478 0.1221341 -0.1211857 -0.0538697 -1.2738615 47 O -1.3003164 -0.1422465 -0.3770563 0.0563923 -1.5459012 -0.6938322 -0.3247613 -0.9525606 -2.5774207 48 O -1.4604279 0.7221895 -0.6017184 0.5728556 -2.1517106 0.8364238 -0.3319900 0.5747979 -1.6196375 49 O -1.8856540 -0.5478798 -0.7270877 -0.6865153 -1.5833141 -0.4899414 -0.5141546 -0.2906931 -1.4837635 50 O -2.8019143 0.4261999 -0.4605219 0.6478750 -1.1610811 0.1120484 -0.2450648 -0.0401777 -1.2110234 51 O -2.8316646 -0.6182124 -0.1009120 -0.7640115 -1.2593652 0.0473016 0.1484944 0.0409574 -1.0881166 52 O -1.8696444 0.7415981 0.4824843 0.5930198 -1.9090860 -0.6211504 0.3700490 -0.5493696 -1.5183141 53 P 3.7002749 -0.4942053 0.5239082 0.6613503 3.8398594 -0.1428886 -0.2692648 -0.0416745 3.2915404 54 P 3.6707237 -0.0510066 0.4694923 -0.6824361 3.5268767 -0.3398027 -0.7614566 0.6044143 3.8426612 55 P 3.7211033 0.2502986 0.4844325 0.2023850 3.7520323 -0.0454492 -0.7007312 0.6019907 3.7170492 56 P 3.7211033 -0.2502986 0.4844325 -0.2023850 3.7520323 0.0454492 -0.7007312 -0.6019907 3.7170492 57 P 3.6707237 0.0510066 0.4694923 0.6824361 3.5268767 0.3398027 -0.7614566 -0.6044143 3.8426612 58 P 3.7002749 0.4942053 0.5239082 -0.6613503 3.8398594 0.1428886 -0.2692648 0.0416745 3.2915404 59 P 3.7002749 0.4942053 0.5239082 -0.6613503 3.8398594 0.1428886 -0.2692648 0.0416745 3.2915404 60 P 3.6707237 0.0510066 0.4694923 0.6824361 3.5268767 0.3398027 -0.7614566 -0.6044143 3.8426612 61 P 3.7211033 -0.2502986 0.4844325 -0.2023850 3.7520323 0.0454492 -0.7007312 -0.6019907 3.7170492 62 P 3.7211033 0.2502986 0.4844325 0.2023850 3.7520323 -0.0454492 -0.7007312 0.6019907 3.7170492 63 P 3.6707237 -0.0510066 0.4694923 -0.6824361 3.5268767 -0.3398027 -0.7614566 0.6044143 3.8426612 64 P 3.7002749 -0.4942053 0.5239082 0.6613503 3.8398594 -0.1428886 -0.2692648 -0.0416745 3.2915404 65 Sn 4.3240521 0.1674957 -0.2252776 -0.2281575 4.3253399 0.1694260 0.4651784 0.3018303 4.2476995 66 Sn 4.4770873 -0.2632665 -0.3398700 -0.0791339 4.4153962 -0.2378002 0.3258227 -0.2459749 4.3584200 67 Sn 4.3240521 -0.1674957 -0.2252776 0.2281575 4.3253399 -0.1694260 0.4651784 -0.3018303 4.2476995 68 Sn 4.4770873 0.2632665 -0.3398700 0.0791339 4.4153962 0.2378002 0.3258227 0.2459749 4.3584200 69 Sn 4.4770873 0.2632665 -0.3398700 0.0791339 4.4153962 0.2378002 0.3258227 0.2459749 4.3584200 70 Sn 4.3240521 -0.1674957 -0.2252776 0.2281575 4.3253399 -0.1694260 0.4651784 -0.3018303 4.2476995 71 Sn 4.4770873 -0.2632665 -0.3398700 -0.0791339 4.4153962 -0.2378002 0.3258227 -0.2459749 4.3584200 72 Sn 4.3240521 0.1674957 -0.2252776 -0.2281575 4.3253399 0.1694260 0.4651784 0.3018303 4.2476995 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 227 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 75 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 113 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 227 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 75 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 113 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 113), data: (2592, 149) @ (149, 113) |-- (592, 558), data: False |-- (592, 41), data: (592, 75) @ (75, 41) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 227), data: True |-- (500, 479), data: False |-- (500, 14), data: (500, 35) @ (35, 14) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 113), data: (2592, 149) @ (149, 113) |-- (592, 558), data: False |-- (592, 41), data: (592, 75) @ (75, 41) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 227), data: True |-- (500, 479), data: False |-- (500, 14), data: (500, 35) @ (35, 14) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 5.995 Solver_block: 200 / 2160 - Time: 5.564 Solver_block: 300 / 2160 - Time: 5.635 Solver_block: 400 / 2160 - Time: 6.845 Solver_block: 500 / 2160 - Time: 5.483 Solver_block: 600 / 2160 - Time: 3.818 Solver_block: 700 / 2160 - Time: 6.116 Solver_block: 800 / 2160 - Time: 10.201 Solver_block: 900 / 2160 - Time: 9.326 Solver_block: 1000 / 2160 - Time: 6.236 Solver_block: 1100 / 2160 - Time: 5.820 Solver_block: 1200 / 2160 - Time: 7.617 Solver_block: 1300 / 2160 - Time: 5.870 Solver_block: 1400 / 2160 - Time: 5.817 Solver_block: 1500 / 2160 - Time: 8.439 Solver_block: 1600 / 2160 - Time: 8.253 Solver_block: 1700 / 2160 - Time: 7.393 Solver_block: 1800 / 2160 - Time: 7.891 Solver_block: 1900 / 2160 - Time: 8.045 Solver_block: 2000 / 2160 - Time: 9.986 Solver_block: 2100 / 2160 - Time: 5.875 Solver_block: 2160 / 2160 - Time: 3.792 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 154.787 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 227 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 75 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 113 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 227 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 72 eigenvectors found. (2) Complementary block size: 75 (2) Compute compressed projector. (2) Use standard solver. (2) 41 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 113 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 113), data: (2592, 149) @ (149, 113) |-- (592, 558), data: False |-- (592, 41), data: (592, 75) @ (75, 41) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 227), data: True |-- (500, 479), data: False |-- (500, 14), data: (500, 35) @ (35, 14) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 113), data: (2592, 149) @ (149, 113) |-- (592, 558), data: False |-- (592, 41), data: (592, 75) @ (75, 41) |-- (92, 72), data: True |-- (250, 218), data: True |-- (250, 227), data: True |-- (500, 479), data: False |-- (500, 14), data: (500, 35) @ (35, 14) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), 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 06:02:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:02:28]------------------------- 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: 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 8.495592390004123 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): 1 Li 0.26950401631546 0.90588899734966 0.19478574859111 6.941 2 Li 0.73049598368454 0.40588899734966 0.30521425140889 6.941 3 Li 0.26950401631546 0.59411100265034 0.69478574859111 6.941 4 Li 0.73049598368454 0.09411100265034 0.80521425140889 6.941 5 O 0.98508848493114 0.12542946863951 0.93555162213649 15.999 6 O 0.74185411874920 0.42059988789774 0.68500104736814 15.999 7 O 0.45743411203881 0.10759311412753 0.39457918534169 15.999 8 O 0.16098625905261 0.31136772057438 0.09896100609316 15.999 9 O 0.16941505935752 0.63462754142414 0.08203408723069 15.999 10 O 0.86615004379779 0.99473956672642 0.74841887607592 15.999 11 O 0.45577298478694 0.79036562761228 0.32331198673626 15.999 12 O 0.61177572220363 0.58740014484351 0.46965747690744 15.999 13 O 0.83602273310530 0.72376708369296 0.68490717352292 15.999 14 O 0.13554692680256 0.82579441123823 0.94623995853068 15.999 15 O 0.78414440962425 0.93884969533531 0.55810947014690 15.999 16 O 0.50454385975444 0.51981016440508 0.27623945491642 15.999 17 O 0.49545614024556 0.01981016440508 0.22376054508358 15.999 18 O 0.21585559037575 0.43884969533531 0.94189052985310 15.999 19 O 0.86445307319745 0.32579441123823 0.55376004146932 15.999 20 O 0.16397726689470 0.22376708369296 0.81509282647708 15.999 21 O 0.38822427779637 0.08740014484351 0.03034252309256 15.999 22 O 0.54422701521306 0.29036562761228 0.17668801326374 15.999 23 O 0.13384995620221 0.49473956672642 0.75158112392408 15.999 24 O 0.83058494064248 0.13462754142414 0.41796591276931 15.999 25 O 0.83901374094739 0.81136772057438 0.40103899390684 15.999 26 O 0.54256588796119 0.60759311412753 0.10542081465831 15.999 27 O 0.25814588125080 0.92059988789774 0.81499895263186 15.999 28 O 0.01491151506886 0.62542946863951 0.56444837786351 15.999 29 O 0.98508848493114 0.37457053136049 0.43555162213649 15.999 30 O 0.74185411874920 0.07940011210226 0.18500104736814 15.999 31 O 0.45743411203881 0.39240688587247 0.89457918534169 15.999 32 O 0.16098625905261 0.18863227942562 0.59896100609316 15.999 33 O 0.16941505935752 0.86537245857586 0.58203408723069 15.999 34 O 0.86615004379779 0.50526043327358 0.24841887607592 15.999 35 O 0.45577298478694 0.70963437238772 0.82331198673626 15.999 36 O 0.61177572220363 0.91259985515649 0.96965747690744 15.999 37 O 0.83602273310530 0.77623291630704 0.18490717352292 15.999 38 O 0.13554692680256 0.67420558876177 0.44623995853068 15.999 39 O 0.78414440962425 0.56115030466469 0.05810947014690 15.999 40 O 0.50454385975444 0.98018983559492 0.77623945491642 15.999 41 O 0.49545614024556 0.48018983559492 0.72376054508358 15.999 42 O 0.21585559037575 0.06115030466469 0.44189052985310 15.999 43 O 0.86445307319745 0.17420558876177 0.05376004146932 15.999 44 O 0.16397726689470 0.27623291630704 0.31509282647708 15.999 45 O 0.38822427779637 0.41259985515649 0.53034252309256 15.999 46 O 0.54422701521306 0.20963437238773 0.67668801326374 15.999 47 O 0.13384995620221 0.00526043327358 0.25158112392408 15.999 48 O 0.83058494064248 0.36537245857586 0.91796591276931 15.999 49 O 0.83901374094739 0.68863227942562 0.90103899390684 15.999 50 O 0.54256588796119 0.89240688587247 0.60542081465831 15.999 51 O 0.25814588125080 0.57940011210226 0.31499895263186 15.999 52 O 0.01491151506886 0.87457053136049 0.06444837786351 15.999 53 P 0.03343031401851 0.75273536668033 0.99404399775973 30.974 54 P 0.75487079546289 0.88594313619727 0.64717998078757 30.974 55 P 0.46016572739849 0.61661141861186 0.34794347432898 30.974 56 P 0.53983427260151 0.11661141861186 0.15205652567102 30.974 57 P 0.24512920453711 0.38594313619727 0.85282001921243 30.974 58 P 0.96656968598149 0.25273536668033 0.50595600224027 30.974 59 P 0.03343031401851 0.74726463331967 0.49404399775973 30.974 60 P 0.75487079546289 0.61405686380273 0.14717998078757 30.974 61 P 0.46016572739849 0.88338858138814 0.84794347432898 30.974 62 P 0.53983427260151 0.38338858138814 0.65205652567102 30.974 63 P 0.24512920453711 0.11405686380273 0.35282001921243 30.974 64 P 0.96656968598149 0.24726463331967 0.00595600224027 30.974 65 Sn 0.34900553716167 0.46706266909507 0.10586282196396 118.710 66 Sn 0.85694767113181 0.53070286782538 0.61639063501064 118.710 67 Sn 0.65099446283833 0.96706266909507 0.39413717803604 118.710 68 Sn 0.14305232886819 0.03070286782538 0.88360936498936 118.710 69 Sn 0.85694767113181 0.96929713217462 0.11639063501064 118.710 70 Sn 0.34900553716167 0.03293733090493 0.60586282196396 118.710 71 Sn 0.14305232886819 0.46929713217462 0.38360936498936 118.710 72 Sn 0.65099446283833 0.53293733090493 0.89413717803604 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.991184780008247 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): 1 Li 0.13475200815773 0.90588899734966 0.19478574859111 6.941 > 1 2 Li 0.63475200815773 0.90588899734966 0.19478574859111 6.941 > 1 3 Li 0.36524799184227 0.40588899734966 0.30521425140889 6.941 > 3 4 Li 0.86524799184227 0.40588899734966 0.30521425140889 6.941 > 3 5 Li 0.13475200815773 0.59411100265034 0.69478574859111 6.941 > 5 6 Li 0.63475200815773 0.59411100265034 0.69478574859111 6.941 > 5 7 Li 0.36524799184227 0.09411100265034 0.80521425140889 6.941 > 7 8 Li 0.86524799184227 0.09411100265034 0.80521425140889 6.941 > 7 9 O 0.49254424246557 0.12542946863951 0.93555162213649 15.999 > 9 10 O 0.99254424246557 0.12542946863951 0.93555162213649 15.999 > 9 11 O 0.37092705937460 0.42059988789774 0.68500104736814 15.999 > 11 12 O 0.87092705937460 0.42059988789774 0.68500104736814 15.999 > 11 13 O 0.22871705601940 0.10759311412753 0.39457918534169 15.999 > 13 14 O 0.72871705601940 0.10759311412753 0.39457918534169 15.999 > 13 15 O 0.08049312952631 0.31136772057438 0.09896100609316 15.999 > 15 16 O 0.58049312952631 0.31136772057438 0.09896100609316 15.999 > 15 17 O 0.08470752967876 0.63462754142414 0.08203408723069 15.999 > 17 18 O 0.58470752967876 0.63462754142414 0.08203408723069 15.999 > 17 19 O 0.43307502189889 0.99473956672642 0.74841887607592 15.999 > 19 20 O 0.93307502189889 0.99473956672642 0.74841887607592 15.999 > 19 21 O 0.22788649239347 0.79036562761228 0.32331198673626 15.999 > 21 22 O 0.72788649239347 0.79036562761228 0.32331198673626 15.999 > 21 23 O 0.30588786110182 0.58740014484351 0.46965747690744 15.999 > 23 24 O 0.80588786110182 0.58740014484351 0.46965747690744 15.999 > 23 25 O 0.41801136655265 0.72376708369296 0.68490717352292 15.999 > 25 26 O 0.91801136655265 0.72376708369296 0.68490717352292 15.999 > 25 27 O 0.06777346340128 0.82579441123823 0.94623995853068 15.999 > 27 28 O 0.56777346340128 0.82579441123823 0.94623995853068 15.999 > 27 29 O 0.39207220481213 0.93884969533531 0.55810947014690 15.999 > 29 30 O 0.89207220481213 0.93884969533531 0.55810947014690 15.999 > 29 31 O 0.25227192987722 0.51981016440508 0.27623945491642 15.999 > 31 32 O 0.75227192987722 0.51981016440508 0.27623945491642 15.999 > 31 33 O 0.24772807012278 0.01981016440508 0.22376054508358 15.999 > 33 34 O 0.74772807012278 0.01981016440508 0.22376054508358 15.999 > 33 35 O 0.10792779518787 0.43884969533531 0.94189052985310 15.999 > 35 36 O 0.60792779518787 0.43884969533531 0.94189052985310 15.999 > 35 37 O 0.43222653659872 0.32579441123823 0.55376004146932 15.999 > 37 38 O 0.93222653659872 0.32579441123823 0.55376004146932 15.999 > 37 39 O 0.08198863344735 0.22376708369296 0.81509282647708 15.999 > 39 40 O 0.58198863344735 0.22376708369296 0.81509282647708 15.999 > 39 41 O 0.19411213889818 0.08740014484351 0.03034252309256 15.999 > 41 42 O 0.69411213889818 0.08740014484351 0.03034252309256 15.999 > 41 43 O 0.27211350760653 0.29036562761228 0.17668801326374 15.999 > 43 44 O 0.77211350760653 0.29036562761228 0.17668801326374 15.999 > 43 45 O 0.06692497810111 0.49473956672642 0.75158112392408 15.999 > 45 46 O 0.56692497810111 0.49473956672642 0.75158112392408 15.999 > 45 47 O 0.41529247032124 0.13462754142414 0.41796591276931 15.999 > 47 48 O 0.91529247032124 0.13462754142414 0.41796591276931 15.999 > 47 49 O 0.41950687047369 0.81136772057438 0.40103899390684 15.999 > 49 50 O 0.91950687047369 0.81136772057438 0.40103899390684 15.999 > 49 51 O 0.27128294398060 0.60759311412753 0.10542081465831 15.999 > 51 52 O 0.77128294398060 0.60759311412753 0.10542081465831 15.999 > 51 53 O 0.12907294062540 0.92059988789774 0.81499895263186 15.999 > 53 54 O 0.62907294062540 0.92059988789774 0.81499895263186 15.999 > 53 55 O 0.00745575753443 0.62542946863951 0.56444837786351 15.999 > 55 56 O 0.50745575753443 0.62542946863951 0.56444837786351 15.999 > 55 57 O 0.49254424246557 0.37457053136049 0.43555162213649 15.999 > 57 58 O 0.99254424246557 0.37457053136049 0.43555162213649 15.999 > 57 59 O 0.37092705937460 0.07940011210226 0.18500104736814 15.999 > 59 60 O 0.87092705937460 0.07940011210226 0.18500104736814 15.999 > 59 61 O 0.22871705601940 0.39240688587247 0.89457918534169 15.999 > 61 62 O 0.72871705601940 0.39240688587247 0.89457918534169 15.999 > 61 63 O 0.08049312952631 0.18863227942562 0.59896100609316 15.999 > 63 64 O 0.58049312952631 0.18863227942562 0.59896100609316 15.999 > 63 65 O 0.08470752967876 0.86537245857586 0.58203408723069 15.999 > 65 66 O 0.58470752967876 0.86537245857586 0.58203408723069 15.999 > 65 67 O 0.43307502189889 0.50526043327358 0.24841887607592 15.999 > 67 68 O 0.93307502189889 0.50526043327358 0.24841887607592 15.999 > 67 69 O 0.22788649239347 0.70963437238772 0.82331198673626 15.999 > 69 70 O 0.72788649239347 0.70963437238772 0.82331198673626 15.999 > 69 71 O 0.30588786110182 0.91259985515649 0.96965747690744 15.999 > 71 72 O 0.80588786110182 0.91259985515649 0.96965747690744 15.999 > 71 73 O 0.41801136655265 0.77623291630704 0.18490717352292 15.999 > 73 74 O 0.91801136655265 0.77623291630704 0.18490717352292 15.999 > 73 75 O 0.06777346340128 0.67420558876177 0.44623995853068 15.999 > 75 76 O 0.56777346340128 0.67420558876177 0.44623995853068 15.999 > 75 77 O 0.39207220481213 0.56115030466469 0.05810947014690 15.999 > 77 78 O 0.89207220481213 0.56115030466469 0.05810947014690 15.999 > 77 79 O 0.25227192987722 0.98018983559492 0.77623945491642 15.999 > 79 80 O 0.75227192987722 0.98018983559492 0.77623945491642 15.999 > 79 81 O 0.24772807012278 0.48018983559492 0.72376054508358 15.999 > 81 82 O 0.74772807012278 0.48018983559492 0.72376054508358 15.999 > 81 83 O 0.10792779518787 0.06115030466469 0.44189052985310 15.999 > 83 84 O 0.60792779518787 0.06115030466469 0.44189052985310 15.999 > 83 85 O 0.43222653659872 0.17420558876177 0.05376004146932 15.999 > 85 86 O 0.93222653659872 0.17420558876177 0.05376004146932 15.999 > 85 87 O 0.08198863344735 0.27623291630704 0.31509282647708 15.999 > 87 88 O 0.58198863344735 0.27623291630704 0.31509282647708 15.999 > 87 89 O 0.19411213889818 0.41259985515649 0.53034252309256 15.999 > 89 90 O 0.69411213889818 0.41259985515649 0.53034252309256 15.999 > 89 91 O 0.27211350760653 0.20963437238773 0.67668801326374 15.999 > 91 92 O 0.77211350760653 0.20963437238773 0.67668801326374 15.999 > 91 93 O 0.06692497810111 0.00526043327358 0.25158112392408 15.999 > 93 94 O 0.56692497810111 0.00526043327358 0.25158112392408 15.999 > 93 95 O 0.41529247032124 0.36537245857586 0.91796591276931 15.999 > 95 96 O 0.91529247032124 0.36537245857586 0.91796591276931 15.999 > 95 97 O 0.41950687047369 0.68863227942562 0.90103899390684 15.999 > 97 98 O 0.91950687047369 0.68863227942562 0.90103899390684 15.999 > 97 99 O 0.27128294398060 0.89240688587247 0.60542081465831 15.999 > 99 100 O 0.77128294398060 0.89240688587247 0.60542081465831 15.999 > 99 101 O 0.12907294062540 0.57940011210226 0.31499895263186 15.999 > 101 102 O 0.62907294062540 0.57940011210226 0.31499895263186 15.999 > 101 103 O 0.00745575753443 0.87457053136049 0.06444837786351 15.999 > 103 104 O 0.50745575753443 0.87457053136049 0.06444837786351 15.999 > 103 105 P 0.01671515700926 0.75273536668033 0.99404399775973 30.974 > 105 106 P 0.51671515700926 0.75273536668033 0.99404399775973 30.974 > 105 107 P 0.37743539773145 0.88594313619727 0.64717998078757 30.974 > 107 108 P 0.87743539773145 0.88594313619727 0.64717998078757 30.974 > 107 109 P 0.23008286369924 0.61661141861186 0.34794347432898 30.974 > 109 110 P 0.73008286369924 0.61661141861186 0.34794347432898 30.974 > 109 111 P 0.26991713630076 0.11661141861186 0.15205652567102 30.974 > 111 112 P 0.76991713630076 0.11661141861186 0.15205652567102 30.974 > 111 113 P 0.12256460226855 0.38594313619727 0.85282001921243 30.974 > 113 114 P 0.62256460226855 0.38594313619727 0.85282001921243 30.974 > 113 115 P 0.48328484299074 0.25273536668033 0.50595600224027 30.974 > 115 116 P 0.98328484299074 0.25273536668033 0.50595600224027 30.974 > 115 117 P 0.01671515700926 0.74726463331967 0.49404399775973 30.974 > 117 118 P 0.51671515700926 0.74726463331967 0.49404399775973 30.974 > 117 119 P 0.37743539773145 0.61405686380273 0.14717998078757 30.974 > 119 120 P 0.87743539773145 0.61405686380273 0.14717998078757 30.974 > 119 121 P 0.23008286369924 0.88338858138814 0.84794347432898 30.974 > 121 122 P 0.73008286369924 0.88338858138814 0.84794347432898 30.974 > 121 123 P 0.26991713630076 0.38338858138814 0.65205652567102 30.974 > 123 124 P 0.76991713630076 0.38338858138814 0.65205652567102 30.974 > 123 125 P 0.12256460226855 0.11405686380273 0.35282001921243 30.974 > 125 126 P 0.62256460226855 0.11405686380273 0.35282001921243 30.974 > 125 127 P 0.48328484299074 0.24726463331967 0.00595600224027 30.974 > 127 128 P 0.98328484299074 0.24726463331967 0.00595600224027 30.974 > 127 129 Sn 0.17450276858083 0.46706266909507 0.10586282196396 118.710 > 129 130 Sn 0.67450276858083 0.46706266909507 0.10586282196396 118.710 > 129 131 Sn 0.42847383556590 0.53070286782538 0.61639063501064 118.710 > 131 132 Sn 0.92847383556590 0.53070286782538 0.61639063501064 118.710 > 131 133 Sn 0.32549723141917 0.96706266909507 0.39413717803604 118.710 > 133 134 Sn 0.82549723141917 0.96706266909507 0.39413717803604 118.710 > 133 135 Sn 0.07152616443410 0.03070286782538 0.88360936498936 118.710 > 135 136 Sn 0.57152616443410 0.03070286782538 0.88360936498936 118.710 > 135 137 Sn 0.42847383556590 0.96929713217462 0.11639063501064 118.710 > 137 138 Sn 0.92847383556590 0.96929713217462 0.11639063501064 118.710 > 137 139 Sn 0.17450276858083 0.03293733090493 0.60586282196396 118.710 > 139 140 Sn 0.67450276858083 0.03293733090493 0.60586282196396 118.710 > 139 141 Sn 0.07152616443410 0.46929713217462 0.38360936498936 118.710 > 141 142 Sn 0.57152616443410 0.46929713217462 0.38360936498936 118.710 > 141 143 Sn 0.32549723141917 0.53293733090493 0.89413717803604 118.710 > 143 144 Sn 0.82549723141917 0.53293733090493 0.89413717803604 118.710 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9669953 0.0000000 0.0133750 0.0000000 2.9685507 0.0000000 0.0133766 0.0000000 2.9358168 -------------------------- Born effective charges -------------------------- 1 Li 1.0842286 -0.0130298 0.0975905 -0.0008998 1.0313336 0.0447137 0.0627423 0.0287879 1.1360006 2 Li 1.0842286 0.0130298 0.0975905 0.0008998 1.0313336 -0.0447137 0.0627423 -0.0287879 1.1360006 3 Li 1.0842286 0.0130298 0.0975905 0.0008998 1.0313336 -0.0447137 0.0627423 -0.0287879 1.1360006 4 Li 1.0842286 -0.0130298 0.0975905 -0.0008998 1.0313336 0.0447137 0.0627423 0.0287879 1.1360006 5 O -1.8696444 0.7415981 0.4824843 0.5930198 -1.9090860 -0.6211504 0.3700490 -0.5493696 -1.5183141 6 O -2.8316646 -0.6182124 -0.1009120 -0.7640115 -1.2593652 0.0473016 0.1484944 0.0409574 -1.0881166 7 O -2.8019143 0.4261999 -0.4605219 0.6478750 -1.1610811 0.1120484 -0.2450648 -0.0401777 -1.2110234 8 O -1.8856540 -0.5478798 -0.7270877 -0.6865153 -1.5833141 -0.4899414 -0.5141546 -0.2906931 -1.4837635 9 O -1.4604279 0.7221895 -0.6017184 0.5728556 -2.1517106 0.8364238 -0.3319900 0.5747979 -1.6196375 10 O -1.3003164 -0.1422465 -0.3770563 0.0563923 -1.5459012 -0.6938322 -0.3247613 -0.9525606 -2.5774207 11 O -1.1875364 -0.4683259 -0.1721812 -0.3732054 -2.9018478 0.1221341 -0.1211857 -0.0538697 -1.2738615 12 O -1.2450980 0.1092443 -0.6113882 0.0375407 -1.1331123 0.3003873 -0.3565907 0.2522045 -2.8353846 13 O -1.2124667 0.5604624 -0.0272300 0.6218934 -2.7443114 0.2112118 0.1111898 -0.1076608 -1.1218052 14 O -1.9222781 -0.6419549 0.4340419 -0.9399572 -1.8580535 0.4705548 0.5501079 0.4538387 -1.3084821 15 O -1.5978095 -0.1721652 0.6692569 -0.1565337 -1.1428645 0.4013954 0.8812275 0.3962833 -2.3469013 16 O -1.6626598 0.5000490 0.4820369 0.5224130 -1.5001906 -0.5663858 0.7103877 -0.7999847 -2.2086605 17 O -1.6626598 -0.5000490 0.4820369 -0.5224130 -1.5001906 0.5663858 0.7103877 0.7999847 -2.2086605 18 O -1.5978095 0.1721652 0.6692569 0.1565337 -1.1428645 -0.4013954 0.8812275 -0.3962833 -2.3469013 19 O -1.9222781 0.6419549 0.4340419 0.9399572 -1.8580535 -0.4705548 0.5501079 -0.4538387 -1.3084821 20 O -1.2124667 -0.5604624 -0.0272300 -0.6218934 -2.7443114 -0.2112118 0.1111898 0.1076608 -1.1218052 21 O -1.2450980 -0.1092443 -0.6113882 -0.0375407 -1.1331123 -0.3003873 -0.3565907 -0.2522045 -2.8353846 22 O -1.1875364 0.4683259 -0.1721812 0.3732054 -2.9018478 -0.1221341 -0.1211857 0.0538697 -1.2738615 23 O -1.3003164 0.1422465 -0.3770563 -0.0563923 -1.5459012 0.6938322 -0.3247613 0.9525606 -2.5774207 24 O -1.4604279 -0.7221895 -0.6017184 -0.5728556 -2.1517106 -0.8364238 -0.3319900 -0.5747979 -1.6196375 25 O -1.8856540 0.5478798 -0.7270877 0.6865153 -1.5833141 0.4899414 -0.5141546 0.2906931 -1.4837635 26 O -2.8019143 -0.4261999 -0.4605219 -0.6478750 -1.1610811 -0.1120484 -0.2450648 0.0401777 -1.2110234 27 O -2.8316646 0.6182124 -0.1009120 0.7640115 -1.2593652 -0.0473016 0.1484944 -0.0409574 -1.0881166 28 O -1.8696444 -0.7415981 0.4824843 -0.5930198 -1.9090860 0.6211504 0.3700490 0.5493696 -1.5183141 29 O -1.8696444 -0.7415981 0.4824843 -0.5930198 -1.9090860 0.6211504 0.3700490 0.5493696 -1.5183141 30 O -2.8316646 0.6182124 -0.1009120 0.7640115 -1.2593652 -0.0473016 0.1484944 -0.0409574 -1.0881166 31 O -2.8019143 -0.4261999 -0.4605219 -0.6478750 -1.1610811 -0.1120484 -0.2450648 0.0401777 -1.2110234 32 O -1.8856540 0.5478798 -0.7270877 0.6865153 -1.5833141 0.4899414 -0.5141546 0.2906931 -1.4837635 33 O -1.4604279 -0.7221895 -0.6017184 -0.5728556 -2.1517106 -0.8364238 -0.3319900 -0.5747979 -1.6196375 34 O -1.3003164 0.1422465 -0.3770563 -0.0563923 -1.5459012 0.6938322 -0.3247613 0.9525606 -2.5774207 35 O -1.1875364 0.4683259 -0.1721812 0.3732054 -2.9018478 -0.1221341 -0.1211857 0.0538697 -1.2738615 36 O -1.2450980 -0.1092443 -0.6113882 -0.0375407 -1.1331123 -0.3003873 -0.3565907 -0.2522045 -2.8353846 37 O -1.2124667 -0.5604624 -0.0272300 -0.6218934 -2.7443114 -0.2112118 0.1111898 0.1076608 -1.1218052 38 O -1.9222781 0.6419549 0.4340419 0.9399572 -1.8580535 -0.4705548 0.5501079 -0.4538387 -1.3084821 39 O -1.5978095 0.1721652 0.6692569 0.1565337 -1.1428645 -0.4013954 0.8812275 -0.3962833 -2.3469013 40 O -1.6626598 -0.5000490 0.4820369 -0.5224130 -1.5001906 0.5663858 0.7103877 0.7999847 -2.2086605 41 O -1.6626598 0.5000490 0.4820369 0.5224130 -1.5001906 -0.5663858 0.7103877 -0.7999847 -2.2086605 42 O -1.5978095 -0.1721652 0.6692569 -0.1565337 -1.1428645 0.4013954 0.8812275 0.3962833 -2.3469013 43 O -1.9222781 -0.6419549 0.4340419 -0.9399572 -1.8580535 0.4705548 0.5501079 0.4538387 -1.3084821 44 O -1.2124667 0.5604624 -0.0272300 0.6218934 -2.7443114 0.2112118 0.1111898 -0.1076608 -1.1218052 45 O -1.2450980 0.1092443 -0.6113882 0.0375407 -1.1331123 0.3003873 -0.3565907 0.2522045 -2.8353846 46 O -1.1875364 -0.4683259 -0.1721812 -0.3732054 -2.9018478 0.1221341 -0.1211857 -0.0538697 -1.2738615 47 O -1.3003164 -0.1422465 -0.3770563 0.0563923 -1.5459012 -0.6938322 -0.3247613 -0.9525606 -2.5774207 48 O -1.4604279 0.7221895 -0.6017184 0.5728556 -2.1517106 0.8364238 -0.3319900 0.5747979 -1.6196375 49 O -1.8856540 -0.5478798 -0.7270877 -0.6865153 -1.5833141 -0.4899414 -0.5141546 -0.2906931 -1.4837635 50 O -2.8019143 0.4261999 -0.4605219 0.6478750 -1.1610811 0.1120484 -0.2450648 -0.0401777 -1.2110234 51 O -2.8316646 -0.6182124 -0.1009120 -0.7640115 -1.2593652 0.0473016 0.1484944 0.0409574 -1.0881166 52 O -1.8696444 0.7415981 0.4824843 0.5930198 -1.9090860 -0.6211504 0.3700490 -0.5493696 -1.5183141 53 P 3.7002749 -0.4942053 0.5239082 0.6613503 3.8398594 -0.1428886 -0.2692648 -0.0416745 3.2915404 54 P 3.6707237 -0.0510066 0.4694923 -0.6824361 3.5268767 -0.3398027 -0.7614566 0.6044143 3.8426612 55 P 3.7211033 0.2502986 0.4844325 0.2023850 3.7520323 -0.0454492 -0.7007312 0.6019907 3.7170492 56 P 3.7211033 -0.2502986 0.4844325 -0.2023850 3.7520323 0.0454492 -0.7007312 -0.6019907 3.7170492 57 P 3.6707237 0.0510066 0.4694923 0.6824361 3.5268767 0.3398027 -0.7614566 -0.6044143 3.8426612 58 P 3.7002749 0.4942053 0.5239082 -0.6613503 3.8398594 0.1428886 -0.2692648 0.0416745 3.2915404 59 P 3.7002749 0.4942053 0.5239082 -0.6613503 3.8398594 0.1428886 -0.2692648 0.0416745 3.2915404 60 P 3.6707237 0.0510066 0.4694923 0.6824361 3.5268767 0.3398027 -0.7614566 -0.6044143 3.8426612 61 P 3.7211033 -0.2502986 0.4844325 -0.2023850 3.7520323 0.0454492 -0.7007312 -0.6019907 3.7170492 62 P 3.7211033 0.2502986 0.4844325 0.2023850 3.7520323 -0.0454492 -0.7007312 0.6019907 3.7170492 63 P 3.6707237 -0.0510066 0.4694923 -0.6824361 3.5268767 -0.3398027 -0.7614566 0.6044143 3.8426612 64 P 3.7002749 -0.4942053 0.5239082 0.6613503 3.8398594 -0.1428886 -0.2692648 -0.0416745 3.2915404 65 Sn 4.3240521 0.1674957 -0.2252776 -0.2281575 4.3253399 0.1694260 0.4651784 0.3018303 4.2476995 66 Sn 4.4770873 -0.2632665 -0.3398700 -0.0791339 4.4153962 -0.2378002 0.3258227 -0.2459749 4.3584200 67 Sn 4.3240521 -0.1674957 -0.2252776 0.2281575 4.3253399 -0.1694260 0.4651784 -0.3018303 4.2476995 68 Sn 4.4770873 0.2632665 -0.3398700 0.0791339 4.4153962 0.2378002 0.3258227 0.2459749 4.3584200 69 Sn 4.4770873 0.2632665 -0.3398700 0.0791339 4.4153962 0.2378002 0.3258227 0.2459749 4.3584200 70 Sn 4.3240521 -0.1674957 -0.2252776 0.2281575 4.3253399 -0.1694260 0.4651784 -0.3018303 4.2476995 71 Sn 4.4770873 -0.2632665 -0.3398700 -0.0791339 4.4153962 -0.2378002 0.3258227 -0.2459749 4.3584200 72 Sn 4.3240521 0.1674957 -0.2252776 -0.2281575 4.3253399 0.1694260 0.4651784 0.3018303 4.2476995 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 11, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 15, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 19, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 23, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 27, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 31, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 105, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 107, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 109, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 129, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 131, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 06:04:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:04:46]------------------------- 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 8.495592390004123 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): 1 Li 0.26950401631546 0.90588899734966 0.19478574859111 6.941 2 Li 0.73049598368454 0.40588899734966 0.30521425140889 6.941 3 Li 0.26950401631546 0.59411100265034 0.69478574859111 6.941 4 Li 0.73049598368454 0.09411100265034 0.80521425140889 6.941 5 O 0.98508848493114 0.12542946863951 0.93555162213649 15.999 6 O 0.74185411874920 0.42059988789774 0.68500104736814 15.999 7 O 0.45743411203881 0.10759311412753 0.39457918534169 15.999 8 O 0.16098625905261 0.31136772057438 0.09896100609316 15.999 9 O 0.16941505935752 0.63462754142414 0.08203408723069 15.999 10 O 0.86615004379779 0.99473956672642 0.74841887607592 15.999 11 O 0.45577298478694 0.79036562761228 0.32331198673626 15.999 12 O 0.61177572220363 0.58740014484351 0.46965747690744 15.999 13 O 0.83602273310530 0.72376708369296 0.68490717352292 15.999 14 O 0.13554692680256 0.82579441123823 0.94623995853068 15.999 15 O 0.78414440962425 0.93884969533531 0.55810947014690 15.999 16 O 0.50454385975444 0.51981016440508 0.27623945491642 15.999 17 O 0.49545614024556 0.01981016440508 0.22376054508358 15.999 18 O 0.21585559037575 0.43884969533531 0.94189052985310 15.999 19 O 0.86445307319745 0.32579441123823 0.55376004146932 15.999 20 O 0.16397726689470 0.22376708369296 0.81509282647708 15.999 21 O 0.38822427779637 0.08740014484351 0.03034252309256 15.999 22 O 0.54422701521306 0.29036562761228 0.17668801326374 15.999 23 O 0.13384995620221 0.49473956672642 0.75158112392408 15.999 24 O 0.83058494064248 0.13462754142414 0.41796591276931 15.999 25 O 0.83901374094739 0.81136772057438 0.40103899390684 15.999 26 O 0.54256588796119 0.60759311412753 0.10542081465831 15.999 27 O 0.25814588125080 0.92059988789774 0.81499895263186 15.999 28 O 0.01491151506886 0.62542946863951 0.56444837786351 15.999 29 O 0.98508848493114 0.37457053136049 0.43555162213649 15.999 30 O 0.74185411874920 0.07940011210226 0.18500104736814 15.999 31 O 0.45743411203881 0.39240688587247 0.89457918534169 15.999 32 O 0.16098625905261 0.18863227942562 0.59896100609316 15.999 33 O 0.16941505935752 0.86537245857586 0.58203408723069 15.999 34 O 0.86615004379779 0.50526043327358 0.24841887607592 15.999 35 O 0.45577298478694 0.70963437238772 0.82331198673626 15.999 36 O 0.61177572220363 0.91259985515649 0.96965747690744 15.999 37 O 0.83602273310530 0.77623291630704 0.18490717352292 15.999 38 O 0.13554692680256 0.67420558876177 0.44623995853068 15.999 39 O 0.78414440962425 0.56115030466469 0.05810947014690 15.999 40 O 0.50454385975444 0.98018983559492 0.77623945491642 15.999 41 O 0.49545614024556 0.48018983559492 0.72376054508358 15.999 42 O 0.21585559037575 0.06115030466469 0.44189052985310 15.999 43 O 0.86445307319745 0.17420558876177 0.05376004146932 15.999 44 O 0.16397726689470 0.27623291630704 0.31509282647708 15.999 45 O 0.38822427779637 0.41259985515649 0.53034252309256 15.999 46 O 0.54422701521306 0.20963437238773 0.67668801326374 15.999 47 O 0.13384995620221 0.00526043327358 0.25158112392408 15.999 48 O 0.83058494064248 0.36537245857586 0.91796591276931 15.999 49 O 0.83901374094739 0.68863227942562 0.90103899390684 15.999 50 O 0.54256588796119 0.89240688587247 0.60542081465831 15.999 51 O 0.25814588125080 0.57940011210226 0.31499895263186 15.999 52 O 0.01491151506886 0.87457053136049 0.06444837786351 15.999 53 P 0.03343031401851 0.75273536668033 0.99404399775973 30.974 54 P 0.75487079546289 0.88594313619727 0.64717998078757 30.974 55 P 0.46016572739849 0.61661141861186 0.34794347432898 30.974 56 P 0.53983427260151 0.11661141861186 0.15205652567102 30.974 57 P 0.24512920453711 0.38594313619727 0.85282001921243 30.974 58 P 0.96656968598149 0.25273536668033 0.50595600224027 30.974 59 P 0.03343031401851 0.74726463331967 0.49404399775973 30.974 60 P 0.75487079546289 0.61405686380273 0.14717998078757 30.974 61 P 0.46016572739849 0.88338858138814 0.84794347432898 30.974 62 P 0.53983427260151 0.38338858138814 0.65205652567102 30.974 63 P 0.24512920453711 0.11405686380273 0.35282001921243 30.974 64 P 0.96656968598149 0.24726463331967 0.00595600224027 30.974 65 Sn 0.34900553716167 0.46706266909507 0.10586282196396 118.710 66 Sn 0.85694767113181 0.53070286782538 0.61639063501064 118.710 67 Sn 0.65099446283833 0.96706266909507 0.39413717803604 118.710 68 Sn 0.14305232886819 0.03070286782538 0.88360936498936 118.710 69 Sn 0.85694767113181 0.96929713217462 0.11639063501064 118.710 70 Sn 0.34900553716167 0.03293733090493 0.60586282196396 118.710 71 Sn 0.14305232886819 0.46929713217462 0.38360936498936 118.710 72 Sn 0.65099446283833 0.53293733090493 0.89413717803604 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.991184780008247 0.000000000000000 0.000000000000000 b 0.000000000000000 8.745919110000001 0.000000000000000 c -8.357057115547413 0.000000000000000 12.104486906493147 Atomic positions (fractional): 1 Li 0.13475200815773 0.90588899734966 0.19478574859111 6.941 > 1 2 Li 0.63475200815773 0.90588899734966 0.19478574859111 6.941 > 1 3 Li 0.36524799184227 0.40588899734966 0.30521425140889 6.941 > 3 4 Li 0.86524799184227 0.40588899734966 0.30521425140889 6.941 > 3 5 Li 0.13475200815773 0.59411100265034 0.69478574859111 6.941 > 5 6 Li 0.63475200815773 0.59411100265034 0.69478574859111 6.941 > 5 7 Li 0.36524799184227 0.09411100265034 0.80521425140889 6.941 > 7 8 Li 0.86524799184227 0.09411100265034 0.80521425140889 6.941 > 7 9 O 0.49254424246557 0.12542946863951 0.93555162213649 15.999 > 9 10 O 0.99254424246557 0.12542946863951 0.93555162213649 15.999 > 9 11 O 0.37092705937460 0.42059988789774 0.68500104736814 15.999 > 11 12 O 0.87092705937460 0.42059988789774 0.68500104736814 15.999 > 11 13 O 0.22871705601940 0.10759311412753 0.39457918534169 15.999 > 13 14 O 0.72871705601940 0.10759311412753 0.39457918534169 15.999 > 13 15 O 0.08049312952631 0.31136772057438 0.09896100609316 15.999 > 15 16 O 0.58049312952631 0.31136772057438 0.09896100609316 15.999 > 15 17 O 0.08470752967876 0.63462754142414 0.08203408723069 15.999 > 17 18 O 0.58470752967876 0.63462754142414 0.08203408723069 15.999 > 17 19 O 0.43307502189889 0.99473956672642 0.74841887607592 15.999 > 19 20 O 0.93307502189889 0.99473956672642 0.74841887607592 15.999 > 19 21 O 0.22788649239347 0.79036562761228 0.32331198673626 15.999 > 21 22 O 0.72788649239347 0.79036562761228 0.32331198673626 15.999 > 21 23 O 0.30588786110182 0.58740014484351 0.46965747690744 15.999 > 23 24 O 0.80588786110182 0.58740014484351 0.46965747690744 15.999 > 23 25 O 0.41801136655265 0.72376708369296 0.68490717352292 15.999 > 25 26 O 0.91801136655265 0.72376708369296 0.68490717352292 15.999 > 25 27 O 0.06777346340128 0.82579441123823 0.94623995853068 15.999 > 27 28 O 0.56777346340128 0.82579441123823 0.94623995853068 15.999 > 27 29 O 0.39207220481213 0.93884969533531 0.55810947014690 15.999 > 29 30 O 0.89207220481213 0.93884969533531 0.55810947014690 15.999 > 29 31 O 0.25227192987722 0.51981016440508 0.27623945491642 15.999 > 31 32 O 0.75227192987722 0.51981016440508 0.27623945491642 15.999 > 31 33 O 0.24772807012278 0.01981016440508 0.22376054508358 15.999 > 33 34 O 0.74772807012278 0.01981016440508 0.22376054508358 15.999 > 33 35 O 0.10792779518787 0.43884969533531 0.94189052985310 15.999 > 35 36 O 0.60792779518787 0.43884969533531 0.94189052985310 15.999 > 35 37 O 0.43222653659872 0.32579441123823 0.55376004146932 15.999 > 37 38 O 0.93222653659872 0.32579441123823 0.55376004146932 15.999 > 37 39 O 0.08198863344735 0.22376708369296 0.81509282647708 15.999 > 39 40 O 0.58198863344735 0.22376708369296 0.81509282647708 15.999 > 39 41 O 0.19411213889818 0.08740014484351 0.03034252309256 15.999 > 41 42 O 0.69411213889818 0.08740014484351 0.03034252309256 15.999 > 41 43 O 0.27211350760653 0.29036562761228 0.17668801326374 15.999 > 43 44 O 0.77211350760653 0.29036562761228 0.17668801326374 15.999 > 43 45 O 0.06692497810111 0.49473956672642 0.75158112392408 15.999 > 45 46 O 0.56692497810111 0.49473956672642 0.75158112392408 15.999 > 45 47 O 0.41529247032124 0.13462754142414 0.41796591276931 15.999 > 47 48 O 0.91529247032124 0.13462754142414 0.41796591276931 15.999 > 47 49 O 0.41950687047369 0.81136772057438 0.40103899390684 15.999 > 49 50 O 0.91950687047369 0.81136772057438 0.40103899390684 15.999 > 49 51 O 0.27128294398060 0.60759311412753 0.10542081465831 15.999 > 51 52 O 0.77128294398060 0.60759311412753 0.10542081465831 15.999 > 51 53 O 0.12907294062540 0.92059988789774 0.81499895263186 15.999 > 53 54 O 0.62907294062540 0.92059988789774 0.81499895263186 15.999 > 53 55 O 0.00745575753443 0.62542946863951 0.56444837786351 15.999 > 55 56 O 0.50745575753443 0.62542946863951 0.56444837786351 15.999 > 55 57 O 0.49254424246557 0.37457053136049 0.43555162213649 15.999 > 57 58 O 0.99254424246557 0.37457053136049 0.43555162213649 15.999 > 57 59 O 0.37092705937460 0.07940011210226 0.18500104736814 15.999 > 59 60 O 0.87092705937460 0.07940011210226 0.18500104736814 15.999 > 59 61 O 0.22871705601940 0.39240688587247 0.89457918534169 15.999 > 61 62 O 0.72871705601940 0.39240688587247 0.89457918534169 15.999 > 61 63 O 0.08049312952631 0.18863227942562 0.59896100609316 15.999 > 63 64 O 0.58049312952631 0.18863227942562 0.59896100609316 15.999 > 63 65 O 0.08470752967876 0.86537245857586 0.58203408723069 15.999 > 65 66 O 0.58470752967876 0.86537245857586 0.58203408723069 15.999 > 65 67 O 0.43307502189889 0.50526043327358 0.24841887607592 15.999 > 67 68 O 0.93307502189889 0.50526043327358 0.24841887607592 15.999 > 67 69 O 0.22788649239347 0.70963437238772 0.82331198673626 15.999 > 69 70 O 0.72788649239347 0.70963437238772 0.82331198673626 15.999 > 69 71 O 0.30588786110182 0.91259985515649 0.96965747690744 15.999 > 71 72 O 0.80588786110182 0.91259985515649 0.96965747690744 15.999 > 71 73 O 0.41801136655265 0.77623291630704 0.18490717352292 15.999 > 73 74 O 0.91801136655265 0.77623291630704 0.18490717352292 15.999 > 73 75 O 0.06777346340128 0.67420558876177 0.44623995853068 15.999 > 75 76 O 0.56777346340128 0.67420558876177 0.44623995853068 15.999 > 75 77 O 0.39207220481213 0.56115030466469 0.05810947014690 15.999 > 77 78 O 0.89207220481213 0.56115030466469 0.05810947014690 15.999 > 77 79 O 0.25227192987722 0.98018983559492 0.77623945491642 15.999 > 79 80 O 0.75227192987722 0.98018983559492 0.77623945491642 15.999 > 79 81 O 0.24772807012278 0.48018983559492 0.72376054508358 15.999 > 81 82 O 0.74772807012278 0.48018983559492 0.72376054508358 15.999 > 81 83 O 0.10792779518787 0.06115030466469 0.44189052985310 15.999 > 83 84 O 0.60792779518787 0.06115030466469 0.44189052985310 15.999 > 83 85 O 0.43222653659872 0.17420558876177 0.05376004146932 15.999 > 85 86 O 0.93222653659872 0.17420558876177 0.05376004146932 15.999 > 85 87 O 0.08198863344735 0.27623291630704 0.31509282647708 15.999 > 87 88 O 0.58198863344735 0.27623291630704 0.31509282647708 15.999 > 87 89 O 0.19411213889818 0.41259985515649 0.53034252309256 15.999 > 89 90 O 0.69411213889818 0.41259985515649 0.53034252309256 15.999 > 89 91 O 0.27211350760653 0.20963437238773 0.67668801326374 15.999 > 91 92 O 0.77211350760653 0.20963437238773 0.67668801326374 15.999 > 91 93 O 0.06692497810111 0.00526043327358 0.25158112392408 15.999 > 93 94 O 0.56692497810111 0.00526043327358 0.25158112392408 15.999 > 93 95 O 0.41529247032124 0.36537245857586 0.91796591276931 15.999 > 95 96 O 0.91529247032124 0.36537245857586 0.91796591276931 15.999 > 95 97 O 0.41950687047369 0.68863227942562 0.90103899390684 15.999 > 97 98 O 0.91950687047369 0.68863227942562 0.90103899390684 15.999 > 97 99 O 0.27128294398060 0.89240688587247 0.60542081465831 15.999 > 99 100 O 0.77128294398060 0.89240688587247 0.60542081465831 15.999 > 99 101 O 0.12907294062540 0.57940011210226 0.31499895263186 15.999 > 101 102 O 0.62907294062540 0.57940011210226 0.31499895263186 15.999 > 101 103 O 0.00745575753443 0.87457053136049 0.06444837786351 15.999 > 103 104 O 0.50745575753443 0.87457053136049 0.06444837786351 15.999 > 103 105 P 0.01671515700926 0.75273536668033 0.99404399775973 30.974 > 105 106 P 0.51671515700926 0.75273536668033 0.99404399775973 30.974 > 105 107 P 0.37743539773145 0.88594313619727 0.64717998078757 30.974 > 107 108 P 0.87743539773145 0.88594313619727 0.64717998078757 30.974 > 107 109 P 0.23008286369924 0.61661141861186 0.34794347432898 30.974 > 109 110 P 0.73008286369924 0.61661141861186 0.34794347432898 30.974 > 109 111 P 0.26991713630076 0.11661141861186 0.15205652567102 30.974 > 111 112 P 0.76991713630076 0.11661141861186 0.15205652567102 30.974 > 111 113 P 0.12256460226855 0.38594313619727 0.85282001921243 30.974 > 113 114 P 0.62256460226855 0.38594313619727 0.85282001921243 30.974 > 113 115 P 0.48328484299074 0.25273536668033 0.50595600224027 30.974 > 115 116 P 0.98328484299074 0.25273536668033 0.50595600224027 30.974 > 115 117 P 0.01671515700926 0.74726463331967 0.49404399775973 30.974 > 117 118 P 0.51671515700926 0.74726463331967 0.49404399775973 30.974 > 117 119 P 0.37743539773145 0.61405686380273 0.14717998078757 30.974 > 119 120 P 0.87743539773145 0.61405686380273 0.14717998078757 30.974 > 119 121 P 0.23008286369924 0.88338858138814 0.84794347432898 30.974 > 121 122 P 0.73008286369924 0.88338858138814 0.84794347432898 30.974 > 121 123 P 0.26991713630076 0.38338858138814 0.65205652567102 30.974 > 123 124 P 0.76991713630076 0.38338858138814 0.65205652567102 30.974 > 123 125 P 0.12256460226855 0.11405686380273 0.35282001921243 30.974 > 125 126 P 0.62256460226855 0.11405686380273 0.35282001921243 30.974 > 125 127 P 0.48328484299074 0.24726463331967 0.00595600224027 30.974 > 127 128 P 0.98328484299074 0.24726463331967 0.00595600224027 30.974 > 127 129 Sn 0.17450276858083 0.46706266909507 0.10586282196396 118.710 > 129 130 Sn 0.67450276858083 0.46706266909507 0.10586282196396 118.710 > 129 131 Sn 0.42847383556590 0.53070286782538 0.61639063501064 118.710 > 131 132 Sn 0.92847383556590 0.53070286782538 0.61639063501064 118.710 > 131 133 Sn 0.32549723141917 0.96706266909507 0.39413717803604 118.710 > 133 134 Sn 0.82549723141917 0.96706266909507 0.39413717803604 118.710 > 133 135 Sn 0.07152616443410 0.03070286782538 0.88360936498936 118.710 > 135 136 Sn 0.57152616443410 0.03070286782538 0.88360936498936 118.710 > 135 137 Sn 0.42847383556590 0.96929713217462 0.11639063501064 118.710 > 137 138 Sn 0.92847383556590 0.96929713217462 0.11639063501064 118.710 > 137 139 Sn 0.17450276858083 0.03293733090493 0.60586282196396 118.710 > 139 140 Sn 0.67450276858083 0.03293733090493 0.60586282196396 118.710 > 139 141 Sn 0.07152616443410 0.46929713217462 0.38360936498936 118.710 > 141 142 Sn 0.57152616443410 0.46929713217462 0.38360936498936 118.710 > 141 143 Sn 0.32549723141917 0.53293733090493 0.89413717803604 118.710 > 143 144 Sn 0.82549723141917 0.53293733090493 0.89413717803604 118.710 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9669953 0.0000000 0.0133750 0.0000000 2.9685507 0.0000000 0.0133766 0.0000000 2.9358168 -------------------------- Born effective charges -------------------------- 1 Li 1.0842286 -0.0130298 0.0975905 -0.0008998 1.0313336 0.0447137 0.0627423 0.0287879 1.1360006 2 Li 1.0842286 0.0130298 0.0975905 0.0008998 1.0313336 -0.0447137 0.0627423 -0.0287879 1.1360006 3 Li 1.0842286 0.0130298 0.0975905 0.0008998 1.0313336 -0.0447137 0.0627423 -0.0287879 1.1360006 4 Li 1.0842286 -0.0130298 0.0975905 -0.0008998 1.0313336 0.0447137 0.0627423 0.0287879 1.1360006 5 O -1.8696444 0.7415981 0.4824843 0.5930198 -1.9090860 -0.6211504 0.3700490 -0.5493696 -1.5183141 6 O -2.8316646 -0.6182124 -0.1009120 -0.7640115 -1.2593652 0.0473016 0.1484944 0.0409574 -1.0881166 7 O -2.8019143 0.4261999 -0.4605219 0.6478750 -1.1610811 0.1120484 -0.2450648 -0.0401777 -1.2110234 8 O -1.8856540 -0.5478798 -0.7270877 -0.6865153 -1.5833141 -0.4899414 -0.5141546 -0.2906931 -1.4837635 9 O -1.4604279 0.7221895 -0.6017184 0.5728556 -2.1517106 0.8364238 -0.3319900 0.5747979 -1.6196375 10 O -1.3003164 -0.1422465 -0.3770563 0.0563923 -1.5459012 -0.6938322 -0.3247613 -0.9525606 -2.5774207 11 O -1.1875364 -0.4683259 -0.1721812 -0.3732054 -2.9018478 0.1221341 -0.1211857 -0.0538697 -1.2738615 12 O -1.2450980 0.1092443 -0.6113882 0.0375407 -1.1331123 0.3003873 -0.3565907 0.2522045 -2.8353846 13 O -1.2124667 0.5604624 -0.0272300 0.6218934 -2.7443114 0.2112118 0.1111898 -0.1076608 -1.1218052 14 O -1.9222781 -0.6419549 0.4340419 -0.9399572 -1.8580535 0.4705548 0.5501079 0.4538387 -1.3084821 15 O -1.5978095 -0.1721652 0.6692569 -0.1565337 -1.1428645 0.4013954 0.8812275 0.3962833 -2.3469013 16 O -1.6626598 0.5000490 0.4820369 0.5224130 -1.5001906 -0.5663858 0.7103877 -0.7999847 -2.2086605 17 O -1.6626598 -0.5000490 0.4820369 -0.5224130 -1.5001906 0.5663858 0.7103877 0.7999847 -2.2086605 18 O -1.5978095 0.1721652 0.6692569 0.1565337 -1.1428645 -0.4013954 0.8812275 -0.3962833 -2.3469013 19 O -1.9222781 0.6419549 0.4340419 0.9399572 -1.8580535 -0.4705548 0.5501079 -0.4538387 -1.3084821 20 O -1.2124667 -0.5604624 -0.0272300 -0.6218934 -2.7443114 -0.2112118 0.1111898 0.1076608 -1.1218052 21 O -1.2450980 -0.1092443 -0.6113882 -0.0375407 -1.1331123 -0.3003873 -0.3565907 -0.2522045 -2.8353846 22 O -1.1875364 0.4683259 -0.1721812 0.3732054 -2.9018478 -0.1221341 -0.1211857 0.0538697 -1.2738615 23 O -1.3003164 0.1422465 -0.3770563 -0.0563923 -1.5459012 0.6938322 -0.3247613 0.9525606 -2.5774207 24 O -1.4604279 -0.7221895 -0.6017184 -0.5728556 -2.1517106 -0.8364238 -0.3319900 -0.5747979 -1.6196375 25 O -1.8856540 0.5478798 -0.7270877 0.6865153 -1.5833141 0.4899414 -0.5141546 0.2906931 -1.4837635 26 O -2.8019143 -0.4261999 -0.4605219 -0.6478750 -1.1610811 -0.1120484 -0.2450648 0.0401777 -1.2110234 27 O -2.8316646 0.6182124 -0.1009120 0.7640115 -1.2593652 -0.0473016 0.1484944 -0.0409574 -1.0881166 28 O -1.8696444 -0.7415981 0.4824843 -0.5930198 -1.9090860 0.6211504 0.3700490 0.5493696 -1.5183141 29 O -1.8696444 -0.7415981 0.4824843 -0.5930198 -1.9090860 0.6211504 0.3700490 0.5493696 -1.5183141 30 O -2.8316646 0.6182124 -0.1009120 0.7640115 -1.2593652 -0.0473016 0.1484944 -0.0409574 -1.0881166 31 O -2.8019143 -0.4261999 -0.4605219 -0.6478750 -1.1610811 -0.1120484 -0.2450648 0.0401777 -1.2110234 32 O -1.8856540 0.5478798 -0.7270877 0.6865153 -1.5833141 0.4899414 -0.5141546 0.2906931 -1.4837635 33 O -1.4604279 -0.7221895 -0.6017184 -0.5728556 -2.1517106 -0.8364238 -0.3319900 -0.5747979 -1.6196375 34 O -1.3003164 0.1422465 -0.3770563 -0.0563923 -1.5459012 0.6938322 -0.3247613 0.9525606 -2.5774207 35 O -1.1875364 0.4683259 -0.1721812 0.3732054 -2.9018478 -0.1221341 -0.1211857 0.0538697 -1.2738615 36 O -1.2450980 -0.1092443 -0.6113882 -0.0375407 -1.1331123 -0.3003873 -0.3565907 -0.2522045 -2.8353846 37 O -1.2124667 -0.5604624 -0.0272300 -0.6218934 -2.7443114 -0.2112118 0.1111898 0.1076608 -1.1218052 38 O -1.9222781 0.6419549 0.4340419 0.9399572 -1.8580535 -0.4705548 0.5501079 -0.4538387 -1.3084821 39 O -1.5978095 0.1721652 0.6692569 0.1565337 -1.1428645 -0.4013954 0.8812275 -0.3962833 -2.3469013 40 O -1.6626598 -0.5000490 0.4820369 -0.5224130 -1.5001906 0.5663858 0.7103877 0.7999847 -2.2086605 41 O -1.6626598 0.5000490 0.4820369 0.5224130 -1.5001906 -0.5663858 0.7103877 -0.7999847 -2.2086605 42 O -1.5978095 -0.1721652 0.6692569 -0.1565337 -1.1428645 0.4013954 0.8812275 0.3962833 -2.3469013 43 O -1.9222781 -0.6419549 0.4340419 -0.9399572 -1.8580535 0.4705548 0.5501079 0.4538387 -1.3084821 44 O -1.2124667 0.5604624 -0.0272300 0.6218934 -2.7443114 0.2112118 0.1111898 -0.1076608 -1.1218052 45 O -1.2450980 0.1092443 -0.6113882 0.0375407 -1.1331123 0.3003873 -0.3565907 0.2522045 -2.8353846 46 O -1.1875364 -0.4683259 -0.1721812 -0.3732054 -2.9018478 0.1221341 -0.1211857 -0.0538697 -1.2738615 47 O -1.3003164 -0.1422465 -0.3770563 0.0563923 -1.5459012 -0.6938322 -0.3247613 -0.9525606 -2.5774207 48 O -1.4604279 0.7221895 -0.6017184 0.5728556 -2.1517106 0.8364238 -0.3319900 0.5747979 -1.6196375 49 O -1.8856540 -0.5478798 -0.7270877 -0.6865153 -1.5833141 -0.4899414 -0.5141546 -0.2906931 -1.4837635 50 O -2.8019143 0.4261999 -0.4605219 0.6478750 -1.1610811 0.1120484 -0.2450648 -0.0401777 -1.2110234 51 O -2.8316646 -0.6182124 -0.1009120 -0.7640115 -1.2593652 0.0473016 0.1484944 0.0409574 -1.0881166 52 O -1.8696444 0.7415981 0.4824843 0.5930198 -1.9090860 -0.6211504 0.3700490 -0.5493696 -1.5183141 53 P 3.7002749 -0.4942053 0.5239082 0.6613503 3.8398594 -0.1428886 -0.2692648 -0.0416745 3.2915404 54 P 3.6707237 -0.0510066 0.4694923 -0.6824361 3.5268767 -0.3398027 -0.7614566 0.6044143 3.8426612 55 P 3.7211033 0.2502986 0.4844325 0.2023850 3.7520323 -0.0454492 -0.7007312 0.6019907 3.7170492 56 P 3.7211033 -0.2502986 0.4844325 -0.2023850 3.7520323 0.0454492 -0.7007312 -0.6019907 3.7170492 57 P 3.6707237 0.0510066 0.4694923 0.6824361 3.5268767 0.3398027 -0.7614566 -0.6044143 3.8426612 58 P 3.7002749 0.4942053 0.5239082 -0.6613503 3.8398594 0.1428886 -0.2692648 0.0416745 3.2915404 59 P 3.7002749 0.4942053 0.5239082 -0.6613503 3.8398594 0.1428886 -0.2692648 0.0416745 3.2915404 60 P 3.6707237 0.0510066 0.4694923 0.6824361 3.5268767 0.3398027 -0.7614566 -0.6044143 3.8426612 61 P 3.7211033 -0.2502986 0.4844325 -0.2023850 3.7520323 0.0454492 -0.7007312 -0.6019907 3.7170492 62 P 3.7211033 0.2502986 0.4844325 0.2023850 3.7520323 -0.0454492 -0.7007312 0.6019907 3.7170492 63 P 3.6707237 -0.0510066 0.4694923 -0.6824361 3.5268767 -0.3398027 -0.7614566 0.6044143 3.8426612 64 P 3.7002749 -0.4942053 0.5239082 0.6613503 3.8398594 -0.1428886 -0.2692648 -0.0416745 3.2915404 65 Sn 4.3240521 0.1674957 -0.2252776 -0.2281575 4.3253399 0.1694260 0.4651784 0.3018303 4.2476995 66 Sn 4.4770873 -0.2632665 -0.3398700 -0.0791339 4.4153962 -0.2378002 0.3258227 -0.2459749 4.3584200 67 Sn 4.3240521 -0.1674957 -0.2252776 0.2281575 4.3253399 -0.1694260 0.4651784 -0.3018303 4.2476995 68 Sn 4.4770873 0.2632665 -0.3398700 0.0791339 4.4153962 0.2378002 0.3258227 0.2459749 4.3584200 69 Sn 4.4770873 0.2632665 -0.3398700 0.0791339 4.4153962 0.2378002 0.3258227 0.2459749 4.3584200 70 Sn 4.3240521 -0.1674957 -0.2252776 0.2281575 4.3253399 -0.1694260 0.4651784 -0.3018303 4.2476995 71 Sn 4.4770873 -0.2632665 -0.3398700 -0.0791339 4.4153962 -0.2378002 0.3258227 -0.2459749 4.3584200 72 Sn 4.3240521 0.1674957 -0.2252776 -0.2281575 4.3253399 0.1694260 0.4651784 0.3018303 4.2476995 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 7 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 315, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.738 ( 0.000 0.000 0.000) 0.000 9.771 ( 0.000 0.000 0.000) 0.000 9.948 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.185 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.373 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.688 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.783 ( 0.000 0.000 0.000) 0.000 12.827 ( 0.000 0.000 0.000) 0.000 12.843 ( 0.000 0.000 0.000) 0.000 12.933 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 13.212 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 13.595 ( 0.000 0.000 0.000) 0.000 13.866 ( 0.000 0.000 0.000) 0.000 13.886 ( 0.000 0.000 0.000) 0.000 14.030 ( 0.000 0.000 0.000) 0.000 15.321 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 15.375 ( 0.000 0.000 0.000) 0.000 15.462 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 15.876 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 16.052 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.355 ( 0.000 0.000 0.000) 0.000 16.379 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.527 ( 0.000 0.000 0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 16.592 ( 0.000 0.000 0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 16.961 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.097 ( 0.000 0.000 0.000) 0.000 17.244 ( 0.000 0.000 0.000) 0.000 17.262 ( 0.000 0.000 0.000) 0.000 17.366 ( 0.000 0.000 0.000) 0.000 17.383 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.538 ( 0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 0.000) 0.000 18.014 ( 0.000 0.000 0.000) 0.000 18.022 ( 0.000 0.000 0.000) 0.000 18.056 ( 0.000 0.000 0.000) 0.000 18.077 ( 0.000 0.000 0.000) 0.000 18.296 ( 0.000 0.000 0.000) 0.000 18.353 ( 0.000 0.000 0.000) 0.000 18.461 ( 0.000 0.000 0.000) 0.000 18.489 ( 0.000 0.000 0.000) 0.000 18.997 ( 0.000 0.000 0.000) 0.000 19.124 ( 0.000 0.000 0.000) 0.000 19.308 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 28.280 ( 0.000 0.000 0.000) 0.000 28.347 ( 0.000 0.000 0.000) 0.000 28.364 ( 0.000 0.000 0.000) 0.000 28.632 ( 0.000 0.000 0.000) 0.000 28.732 ( 0.000 0.000 0.000) 0.000 28.943 ( 0.000 0.000 0.000) 0.000 28.953 ( 0.000 0.000 0.000) 0.000 29.212 ( 0.000 0.000 0.000) 0.000 29.297 ( 0.000 0.000 0.000) 0.000 29.347 ( 0.000 0.000 0.000) 0.000 29.489 ( 0.000 0.000 0.000) 0.000 29.659 ( 0.000 0.000 0.000) 0.000 29.798 ( 0.000 0.000 0.000) 0.000 29.873 ( 0.000 0.000 0.000) 0.000 29.908 ( 0.000 0.000 0.000) 0.000 29.911 ( 0.000 0.000 0.000) 0.000 30.063 ( 0.000 0.000 0.000) 0.000 30.149 ( 0.000 0.000 0.000) 0.000 30.234 ( 0.000 0.000 0.000) 0.000 30.247 ( 0.000 0.000 0.000) 0.000 30.397 ( 0.000 0.000 0.000) 0.000 30.474 ( 0.000 0.000 0.000) 0.000 30.479 ( 0.000 0.000 0.000) 0.000 30.654 ( 0.000 0.000 0.000) 0.000 30.806 ( 0.000 0.000 0.000) 0.000 30.855 ( 0.000 0.000 0.000) 0.000 31.117 ( 0.000 0.000 0.000) 0.000 31.233 ( 0.000 0.000 0.000) 0.000 31.270 ( 0.000 0.000 0.000) 0.000 31.409 ( 0.000 0.000 0.000) 0.000 31.420 ( 0.000 0.000 0.000) 0.000 31.459 ( 0.000 0.000 0.000) 0.000 31.463 ( 0.000 0.000 0.000) 0.000 31.633 ( 0.000 0.000 0.000) 0.000 31.747 ( 0.000 0.000 0.000) 0.000 31.809 ( 0.000 0.000 0.000) 0.000 31.826 ( 0.000 0.000 0.000) 0.000 31.909 ( 0.000 0.000 0.000) 0.000 32.137 ( 0.000 0.000 0.000) 0.000 32.519 ( 0.000 0.000 0.000) 0.000 32.809 ( 0.000 0.000 0.000) 0.000 33.296 ( 0.000 0.000 0.000) 0.000 34.261 ( 0.000 0.000 0.000) 0.000 34.693 ( 0.000 0.000 0.000) 0.000 34.746 ( 0.000 0.000 0.000) 0.000 34.909 ( 0.000 0.000 0.000) 0.000 35.291 ( 0.000 0.000 0.000) 0.000 36.045 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 24.983 0.000 24.920) 35.287 0.788 ( 35.982 0.000 14.771) 38.896 1.135 ( 48.695 0.000 23.784) 54.193 1.866 ( 8.885 0.000 -15.554) 17.913 1.972 ( -9.456 0.000 -13.240) 16.270 2.193 ( -12.046 0.000 -2.273) 12.258 2.365 ( 5.302 0.000 0.713) 5.350 2.531 ( 3.446 0.000 3.580) 4.969 2.662 ( 3.441 0.000 5.911) 6.840 2.667 ( -3.935 0.000 -1.874) 4.358 2.849 ( 2.451 0.000 -0.422) 2.487 2.965 ( -6.389 0.000 -1.990) 6.691 2.980 ( -2.915 0.000 -3.139) 4.284 3.113 ( -6.224 0.000 3.753) 7.268 3.193 ( 5.749 0.000 15.459) 16.493 3.292 ( -11.967 0.000 0.536) 11.979 3.338 ( 7.551 0.000 -3.813) 8.459 3.431 ( -0.712 0.000 -4.689) 4.743 3.495 ( -6.684 0.000 6.902) 9.608 3.573 ( 15.181 0.000 -6.960) 16.701 3.610 ( -6.197 0.000 -8.445) 10.475 3.619 ( 0.802 0.000 2.066) 2.216 3.686 ( -5.867 0.000 -3.409) 6.785 3.806 ( 5.509 0.000 -2.609) 6.096 3.967 ( 10.154 0.000 -7.850) 12.835 4.132 ( 9.112 0.000 3.736) 9.848 4.154 ( -0.506 0.000 4.089) 4.120 4.186 ( -1.616 0.000 -8.709) 8.857 4.228 ( -10.557 0.000 2.979) 10.969 4.311 ( -13.491 0.000 -6.418) 14.940 4.413 ( -3.763 0.000 -9.477) 10.197 4.456 ( 4.069 0.000 -4.434) 6.018 4.519 ( 5.718 0.000 3.680) 6.800 4.675 ( -7.343 0.000 4.898) 8.826 4.836 ( 4.696 0.000 10.056) 11.098 4.887 ( 4.617 0.000 0.672) 4.665 4.972 ( -1.334 0.000 5.378) 5.541 5.039 ( -7.295 0.000 7.541) 10.492 5.179 ( 4.535 0.000 4.100) 6.113 5.202 ( -3.073 0.000 -1.769) 3.546 5.260 ( 6.834 0.000 2.174) 7.171 5.312 ( -0.771 0.000 2.520) 2.635 5.459 ( 5.957 0.000 1.882) 6.248 5.491 ( -1.271 0.000 -3.122) 3.370 5.534 ( 0.930 0.000 0.245) 0.962 5.624 ( 8.450 0.000 -7.130) 11.056 5.633 ( 7.469 0.000 -2.298) 7.815 5.656 ( -0.187 0.000 2.650) 2.656 5.817 ( -2.316 0.000 5.488) 5.956 5.825 ( -1.024 0.000 1.618) 1.915 5.894 ( 1.218 0.000 -2.402) 2.694 6.045 ( 3.791 0.000 4.949) 6.234 6.065 ( 0.928 0.000 5.341) 5.421 6.223 ( 0.435 0.000 -4.563) 4.584 6.324 ( 0.623 0.000 0.593) 0.860 6.396 ( -7.508 0.000 2.388) 7.878 6.446 ( -1.080 0.000 2.847) 3.044 6.463 ( -6.492 0.000 -8.272) 10.516 6.528 ( 2.310 0.000 -2.842) 3.662 6.701 ( -11.214 0.000 3.000) 11.608 6.914 ( 2.867 0.000 -15.035) 15.306 7.008 ( -6.170 0.000 -0.477) 6.188 7.054 ( 3.085 0.000 -3.565) 4.715 7.184 ( -8.713 0.000 -9.884) 13.176 7.424 ( 3.118 0.000 6.159) 6.903 7.636 ( -1.133 0.000 3.545) 3.722 7.745 ( -6.625 0.000 -4.988) 8.293 7.825 ( -7.739 0.000 -2.364) 8.092 7.881 ( 2.697 0.000 6.122) 6.689 7.934 ( 3.094 0.000 -11.233) 11.651 7.940 ( -9.388 0.000 3.691) 10.088 8.220 ( -1.064 0.000 -5.197) 5.305 8.271 ( -1.454 0.000 5.730) 5.912 8.290 ( -2.099 0.000 3.666) 4.224 8.361 ( -3.958 0.000 0.532) 3.993 8.454 ( 7.419 0.000 -4.010) 8.434 8.482 ( -1.177 0.000 5.932) 6.048 8.570 ( 6.930 0.000 3.036) 7.566 8.673 ( 3.851 0.000 3.042) 4.908 8.715 ( -1.051 0.000 2.922) 3.106 8.740 ( -2.052 0.000 -1.243) 2.399 8.790 ( 4.551 0.000 -4.185) 6.183 8.894 ( -1.894 0.000 -3.922) 4.356 9.035 ( -0.666 0.000 -1.052) 1.245 9.135 ( 1.444 0.000 6.949) 7.098 9.168 ( 0.929 0.000 0.142) 0.940 9.259 ( 7.463 0.000 1.563) 7.625 9.303 ( -0.286 0.000 -3.096) 3.110 9.352 ( -10.922 0.000 5.937) 12.432 9.374 ( -2.440 0.000 -1.523) 2.877 9.487 ( -2.760 0.000 3.749) 4.655 9.630 ( 0.573 0.000 -1.384) 1.498 9.766 ( -1.536 0.000 2.027) 2.543 9.859 ( -3.692 0.000 6.976) 7.893 9.999 ( 0.360 0.000 3.043) 3.064 10.009 ( 0.465 0.000 -4.227) 4.252 10.195 ( -2.839 0.000 -4.768) 5.550 10.196 ( 1.416 0.000 -0.379) 1.466 10.346 ( -1.886 0.000 1.702) 2.540 10.370 ( -9.251 0.000 7.032) 11.621 11.143 ( 3.750 0.000 -0.096) 3.751 11.285 ( 7.773 0.000 -11.126) 13.572 11.323 ( 0.034 0.000 2.661) 2.662 11.339 ( 0.099 0.000 -0.453) 0.463 11.362 ( 0.219 0.000 -1.520) 1.536 11.495 ( -0.140 0.000 -2.256) 2.261 11.580 ( 2.381 0.000 -2.007) 3.114 11.712 ( 0.952 0.000 2.070) 2.278 11.793 ( 0.434 0.000 1.623) 1.680 11.828 ( -1.940 0.000 0.482) 1.999 12.219 ( 1.594 0.000 -0.609) 1.706 12.305 ( 0.953 0.000 -1.257) 1.577 12.657 ( 1.262 0.000 1.561) 2.008 12.792 ( -2.086 0.000 -1.811) 2.762 12.801 ( 0.891 0.000 -0.679) 1.120 12.871 ( -0.832 0.000 -1.413) 1.640 12.925 ( 0.998 0.000 -6.260) 6.339 12.932 ( 0.070 0.000 -1.446) 1.448 13.069 ( 3.207 0.000 5.014) 5.952 13.192 ( -1.187 0.000 -1.512) 1.922 13.251 ( 2.078 0.000 1.288) 2.445 13.259 ( 1.354 0.000 -2.048) 2.455 13.337 ( 3.053 0.000 1.841) 3.565 13.449 ( -1.033 0.000 -2.240) 2.467 13.645 ( 3.878 0.000 2.831) 4.802 13.841 ( -2.616 0.000 -2.683) 3.748 13.890 ( 0.821 0.000 2.747) 2.867 14.013 ( -1.515 0.000 -1.684) 2.265 15.315 ( 0.155 0.000 -1.155) 1.166 15.345 ( 0.457 0.000 1.328) 1.404 15.397 ( 2.148 0.000 -0.068) 2.149 15.470 ( 0.289 0.000 1.109) 1.146 15.706 ( 1.777 0.000 -1.343) 2.227 15.763 ( 2.638 0.000 -4.890) 5.556 15.897 ( -0.419 0.000 3.660) 3.684 15.951 ( 0.117 0.000 2.446) 2.449 16.035 ( -2.098 0.000 0.464) 2.149 16.062 ( -2.479 0.000 -0.607) 2.552 16.372 ( 1.854 0.000 -0.623) 1.956 16.389 ( 1.913 0.000 -1.203) 2.260 16.499 ( 0.179 0.000 -0.540) 0.569 16.499 ( -2.663 0.000 -1.442) 3.028 16.550 ( -0.898 0.000 3.520) 3.633 16.605 ( 0.417 0.000 0.825) 0.925 16.904 ( -1.232 0.000 1.762) 2.150 16.932 ( -1.404 0.000 -1.836) 2.311 16.965 ( -0.277 0.000 0.930) 0.970 16.983 ( -1.706 0.000 -1.279) 2.133 17.125 ( 1.955 0.000 -0.127) 1.960 17.232 ( -0.425 0.000 -0.918) 1.012 17.266 ( 0.127 0.000 0.389) 0.409 17.373 ( -0.759 0.000 2.200) 2.327 17.405 ( 1.971 0.000 -2.141) 2.910 17.454 ( 2.195 0.000 -0.558) 2.264 17.538 ( 0.889 0.000 -1.548) 1.786 17.603 ( 1.865 0.000 1.345) 2.299 18.001 ( 1.049 0.000 -3.074) 3.248 18.078 ( 1.187 0.000 1.179) 1.673 18.104 ( 1.934 0.000 0.647) 2.039 18.214 ( 2.553 0.000 -6.330) 6.825 18.336 ( -0.710 0.000 4.801) 4.853 18.406 ( -4.224 0.000 -0.419) 4.244 18.499 ( -0.394 0.000 -0.720) 0.821 18.581 ( -7.695 0.000 9.555) 12.268 19.001 ( 0.829 0.000 -0.405) 0.923 19.129 ( 1.177 0.000 -0.671) 1.355 19.528 ( -8.260 0.000 10.417) 13.295 19.617 ( -4.558 0.000 -2.773) 5.335 28.277 ( -0.032 0.000 -0.040) 0.051 28.362 ( -0.330 0.000 0.188) 0.379 28.373 ( 2.924 0.000 -2.501) 3.847 28.624 ( 1.430 0.000 -3.532) 3.810 28.766 ( 1.402 0.000 3.641) 3.901 28.948 ( -5.019 0.000 5.302) 7.301 28.973 ( 2.147 0.000 1.194) 2.457 29.186 ( -3.810 0.000 2.454) 4.531 29.338 ( 4.265 0.000 0.317) 4.277 29.377 ( 2.619 0.000 0.168) 2.625 29.529 ( 3.320 0.000 1.492) 3.640 29.712 ( -0.754 0.000 -2.761) 2.863 29.796 ( -0.768 0.000 1.058) 1.307 29.831 ( -2.477 0.000 -0.777) 2.596 29.933 ( 0.844 0.000 1.739) 1.934 29.935 ( -0.458 0.000 1.565) 1.631 30.087 ( 2.994 0.000 0.340) 3.013 30.126 ( -0.815 0.000 -2.198) 2.345 30.222 ( -1.306 0.000 -0.681) 1.473 30.236 ( -0.562 0.000 -0.559) 0.792 30.481 ( -2.414 0.000 5.659) 6.152 30.487 ( -0.173 0.000 0.185) 0.253 30.646 ( -0.486 0.000 7.549) 7.565 30.686 ( -0.771 0.000 6.801) 6.844 30.791 ( -3.737 0.000 -0.843) 3.831 30.854 ( 4.694 0.000 -1.826) 5.037 31.174 ( -3.604 0.000 -2.993) 4.685 31.177 ( -8.767 0.000 -5.125) 10.155 31.337 ( -5.954 0.000 1.157) 6.065 31.371 ( -2.370 0.000 1.101) 2.613 31.406 ( -2.949 0.000 -3.129) 4.300 31.517 ( 1.479 0.000 -0.070) 1.480 31.564 ( 10.308 0.000 -10.321) 14.587 31.571 ( -1.313 0.000 0.596) 1.442 31.788 ( -2.168 0.000 0.464) 2.217 31.798 ( -3.539 0.000 -0.087) 3.540 31.974 ( 3.911 0.000 1.633) 4.239 32.045 ( -0.716 0.000 -9.480) 9.507 32.613 ( 8.291 0.000 0.339) 8.297 32.781 ( 0.014 0.000 -3.791) 3.791 33.415 ( 14.342 0.000 -0.017) 14.342 33.504 ( 36.635 0.000 -35.578) 51.068 34.649 ( -3.894 0.000 1.179) 4.069 34.704 ( -8.373 0.000 4.661) 9.583 34.842 ( 3.475 0.000 5.826) 6.784 34.945 ( 1.961 0.000 0.802) 2.119 35.958 ( -8.684 0.000 -2.322) 8.989 36.072 ( -19.745 0.000 22.412) 29.869 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 24.192 0.000 22.437) 32.995 1.538 ( 32.630 0.000 13.700) 35.389 1.722 ( 3.761 0.000 -10.778) 11.415 1.882 ( 19.849 0.000 -9.657) 22.073 2.035 ( -8.739 0.000 3.592) 9.448 2.210 ( 34.683 0.000 17.683) 38.931 2.378 ( 5.009 0.000 -4.539) 6.760 2.578 ( -1.346 0.000 -0.053) 1.347 2.621 ( -5.032 0.000 5.184) 7.225 2.669 ( -5.657 0.000 0.796) 5.713 2.849 ( -2.902 0.000 -2.406) 3.769 2.912 ( -6.303 0.000 -2.739) 6.872 2.956 ( -0.285 0.000 6.079) 6.086 3.067 ( 2.609 0.000 3.299) 4.206 3.131 ( -15.019 0.000 7.568) 16.818 3.256 ( -12.999 0.000 -11.109) 17.099 3.289 ( -3.793 0.000 -2.608) 4.603 3.358 ( 8.327 0.000 -9.171) 12.388 3.436 ( -4.094 0.000 -0.019) 4.094 3.581 ( 6.470 0.000 11.714) 13.382 3.607 ( 3.360 0.000 -17.769) 18.084 3.614 ( 0.029 0.000 -0.416) 0.417 3.768 ( 7.932 0.000 1.538) 8.080 3.885 ( -4.252 0.000 -2.375) 4.870 3.934 ( -9.095 0.000 4.614) 10.198 3.983 ( 5.219 0.000 -1.827) 5.530 4.112 ( -8.930 0.000 -0.090) 8.931 4.171 ( 5.802 0.000 -4.010) 7.053 4.221 ( 6.825 0.000 -11.648) 13.501 4.276 ( 4.042 0.000 3.073) 5.077 4.349 ( -0.316 0.000 -3.848) 3.861 4.403 ( -3.677 0.000 -2.257) 4.315 4.587 ( 2.013 0.000 0.424) 2.058 4.616 ( -1.208 0.000 5.541) 5.671 4.838 ( -1.289 0.000 -0.439) 1.362 4.874 ( -10.980 0.000 -1.901) 11.143 5.040 ( -4.337 0.000 8.973) 9.967 5.077 ( -2.748 0.000 -1.739) 3.252 5.197 ( 8.111 0.000 7.214) 10.855 5.214 ( -2.426 0.000 -4.680) 5.271 5.304 ( 4.589 0.000 2.537) 5.244 5.437 ( -0.872 0.000 -0.926) 1.272 5.526 ( 4.424 0.000 -2.100) 4.897 5.593 ( 8.226 0.000 8.559) 11.871 5.614 ( 2.812 0.000 2.690) 3.892 5.620 ( -2.283 0.000 5.680) 6.121 5.677 ( 6.363 0.000 -3.760) 7.391 5.744 ( 3.940 0.000 -0.912) 4.044 5.846 ( 0.389 0.000 1.767) 1.809 5.892 ( 4.696 0.000 6.720) 8.198 5.907 ( 0.078 0.000 0.417) 0.424 6.106 ( -6.665 0.000 6.584) 9.369 6.134 ( -1.572 0.000 -2.534) 2.982 6.186 ( 0.989 0.000 5.208) 5.301 6.251 ( -7.119 0.000 0.855) 7.170 6.343 ( 1.229 0.000 2.466) 2.756 6.352 ( 3.992 0.000 -13.007) 13.605 6.459 ( 0.409 0.000 -2.335) 2.371 6.521 ( -8.457 0.000 -0.295) 8.462 6.576 ( 3.407 0.000 5.023) 6.069 6.813 ( 1.244 0.000 -7.511) 7.613 6.888 ( -5.805 0.000 0.004) 5.805 6.959 ( -4.922 0.000 -8.845) 10.122 7.046 ( -0.524 0.000 -1.814) 1.889 7.366 ( -9.187 0.000 -4.708) 10.323 7.547 ( -7.351 0.000 -2.609) 7.800 7.630 ( -8.925 0.000 -0.085) 8.926 7.653 ( -8.773 0.000 -0.114) 8.774 7.874 ( 3.340 0.000 1.016) 3.491 7.886 ( 4.202 0.000 -9.112) 10.034 8.032 ( 5.530 0.000 2.171) 5.940 8.139 ( -1.828 0.000 -2.970) 3.487 8.166 ( -6.463 0.000 -3.783) 7.488 8.273 ( -4.601 0.000 2.647) 5.308 8.395 ( -1.523 0.000 8.356) 8.494 8.404 ( -4.408 0.000 -4.169) 6.067 8.540 ( 0.915 0.000 2.509) 2.670 8.660 ( 0.080 0.000 3.059) 3.061 8.698 ( -2.531 0.000 3.291) 4.152 8.768 ( -1.733 0.000 -3.526) 3.929 8.829 ( 2.860 0.000 2.780) 3.988 8.840 ( 7.753 0.000 1.191) 7.844 8.902 ( 10.131 0.000 1.795) 10.289 9.020 ( 1.263 0.000 -2.066) 2.422 9.169 ( -1.354 0.000 1.675) 2.154 9.215 ( -5.898 0.000 3.430) 6.823 9.281 ( 4.137 0.000 1.766) 4.498 9.289 ( -0.156 0.000 -0.863) 0.877 9.306 ( -1.033 0.000 -2.463) 2.671 9.371 ( 1.282 0.000 1.333) 1.850 9.486 ( -0.551 0.000 3.505) 3.548 9.607 ( -3.925 0.000 -0.880) 4.022 9.739 ( 1.958 0.000 -3.063) 3.636 9.861 ( -3.540 0.000 1.409) 3.810 9.953 ( 0.985 0.000 -5.681) 5.765 9.984 ( -5.711 0.000 1.107) 5.817 10.095 ( -1.419 0.000 -4.262) 4.492 10.225 ( 3.391 0.000 -1.115) 3.569 10.270 ( -7.286 0.000 0.658) 7.315 10.376 ( 0.063 0.000 4.983) 4.984 11.218 ( 4.366 0.000 -0.186) 4.370 11.290 ( 1.998 0.000 -2.198) 2.970 11.314 ( -0.896 0.000 -1.338) 1.610 11.328 ( -0.720 0.000 -0.434) 0.841 11.399 ( 2.085 0.000 3.631) 4.187 11.471 ( -0.608 0.000 -0.660) 0.897 11.594 ( 1.915 0.000 -1.798) 2.626 11.745 ( -0.733 0.000 2.233) 2.351 11.819 ( 0.191 0.000 1.229) 1.243 11.819 ( 0.205 0.000 1.404) 1.419 12.238 ( 1.797 0.000 -1.272) 2.202 12.294 ( 0.053 0.000 -1.993) 1.994 12.710 ( 1.546 0.000 3.290) 3.635 12.733 ( -0.362 0.000 -3.803) 3.820 12.767 ( -3.612 0.000 0.644) 3.669 12.853 ( -1.641 0.000 -3.363) 3.742 12.908 ( 2.609 0.000 2.078) 3.336 12.927 ( 0.045 0.000 -0.468) 0.470 13.141 ( -1.889 0.000 -2.727) 3.317 13.157 ( 2.291 0.000 2.587) 3.456 13.263 ( 1.049 0.000 -0.721) 1.273 13.330 ( 2.962 0.000 2.650) 3.974 13.395 ( -0.678 0.000 -2.848) 2.927 13.416 ( 3.855 0.000 1.222) 4.044 13.765 ( -2.331 0.000 -2.298) 3.273 13.777 ( 5.529 0.000 4.937) 7.412 13.939 ( -3.365 0.000 -3.283) 4.701 13.948 ( 1.292 0.000 3.583) 3.809 15.305 ( 0.662 0.000 -1.482) 1.624 15.373 ( 0.734 0.000 1.398) 1.579 15.422 ( 0.937 0.000 -0.630) 1.129 15.499 ( 0.906 0.000 2.044) 2.236 15.743 ( 3.687 0.000 -0.463) 3.716 15.744 ( 1.134 0.000 -3.919) 4.080 15.926 ( -1.178 0.000 2.803) 3.040 15.981 ( -0.201 0.000 1.707) 1.719 16.004 ( -2.969 0.000 -0.007) 2.969 16.010 ( -1.934 0.000 1.894) 2.706 16.360 ( -2.060 0.000 -1.644) 2.635 16.413 ( 2.410 0.000 -1.273) 2.726 16.464 ( 0.176 0.000 -0.272) 0.324 16.508 ( -0.680 0.000 2.207) 2.309 16.578 ( -0.170 0.000 3.057) 3.061 16.622 ( 0.247 0.000 1.069) 1.097 16.875 ( -1.528 0.000 -2.622) 3.035 16.902 ( -0.213 0.000 0.050) 0.218 16.949 ( -0.919 0.000 -0.405) 1.005 16.965 ( -1.521 0.000 1.188) 1.930 17.176 ( 3.231 0.000 1.434) 3.535 17.218 ( 0.181 0.000 -1.127) 1.142 17.272 ( -0.005 0.000 0.339) 0.339 17.395 ( -0.583 0.000 3.636) 3.682 17.415 ( 0.389 0.000 0.421) 0.573 17.483 ( 2.213 0.000 -1.839) 2.877 17.525 ( 0.303 0.000 -2.515) 2.534 17.642 ( 0.860 0.000 0.944) 1.276 17.988 ( 1.239 0.000 -2.024) 2.373 18.108 ( 1.268 0.000 0.075) 1.270 18.114 ( 1.322 0.000 -3.576) 3.813 18.231 ( 3.708 0.000 -1.036) 3.850 18.331 ( -3.208 0.000 -1.182) 3.419 18.371 ( -1.270 0.000 4.335) 4.517 18.441 ( -4.138 0.000 -2.756) 4.972 18.554 ( -3.701 0.000 2.386) 4.403 19.016 ( 1.278 0.000 -0.191) 1.292 19.150 ( 2.108 0.000 -0.554) 2.179 19.490 ( -4.596 0.000 -3.789) 5.956 19.505 ( -5.182 0.000 5.166) 7.317 28.283 ( 0.296 0.000 0.534) 0.611 28.358 ( -0.359 0.000 0.253) 0.439 28.394 ( 2.181 0.000 -1.488) 2.640 28.599 ( 0.725 0.000 -3.665) 3.736 28.849 ( 2.980 0.000 3.042) 4.258 28.918 ( -4.401 0.000 3.386) 5.553 29.028 ( 2.259 0.000 1.110) 2.517 29.177 ( -2.231 0.000 6.272) 6.657 29.414 ( 1.320 0.000 -0.503) 1.412 29.428 ( 5.371 0.000 0.258) 5.377 29.610 ( 3.632 0.000 1.290) 3.854 29.659 ( -0.863 0.000 -3.244) 3.357 29.793 ( -1.501 0.000 0.142) 1.508 29.805 ( -0.301 0.000 2.157) 2.178 29.911 ( -2.516 0.000 -0.595) 2.585 29.958 ( -0.698 0.000 1.389) 1.554 30.093 ( 0.707 0.000 -2.055) 2.173 30.159 ( 2.842 0.000 0.975) 3.004 30.214 ( 0.364 0.000 1.885) 1.920 30.219 ( -0.757 0.000 -0.742) 1.060 30.461 ( -1.944 0.000 -0.733) 2.078 30.528 ( 1.196 0.000 3.946) 4.123 30.668 ( -7.286 0.000 -6.096) 9.500 30.732 ( 4.436 0.000 1.594) 4.714 30.763 ( 0.840 0.000 5.450) 5.515 30.910 ( -4.716 0.000 -1.620) 4.986 30.995 ( 5.349 0.000 -1.055) 5.452 31.076 ( -4.650 0.000 -1.191) 4.800 31.298 ( -1.123 0.000 1.017) 1.515 31.305 ( -3.857 0.000 -2.557) 4.627 31.317 ( -2.361 0.000 -4.288) 4.894 31.520 ( -1.298 0.000 3.641) 3.866 31.594 ( 3.043 0.000 -3.946) 4.983 31.608 ( 3.408 0.000 -2.333) 4.130 31.699 ( -7.936 0.000 0.988) 7.997 31.768 ( -1.233 0.000 1.297) 1.789 31.890 ( -3.956 0.000 -8.693) 9.550 32.038 ( 2.598 0.000 -0.818) 2.724 32.731 ( 4.501 0.000 0.368) 4.516 32.741 ( 0.210 0.000 -3.168) 3.175 33.750 ( 21.191 0.000 2.870) 21.384 33.758 ( 23.019 0.000 -8.533) 24.550 34.573 ( -11.215 0.000 1.281) 11.288 34.650 ( 0.398 0.000 5.701) 5.715 34.955 ( -1.362 0.000 -0.587) 1.483 34.995 ( 7.172 0.000 3.477) 7.971 35.709 ( -13.941 0.000 -6.587) 15.419 35.980 ( -11.868 0.000 8.321) 14.495 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 14.465 0.000 0.861) 14.491 1.964 ( -2.549 0.000 0.544) 2.607 1.988 ( 16.065 0.000 15.480) 22.309 2.101 ( 11.429 0.000 1.021) 11.474 2.204 ( 27.628 0.000 11.513) 29.931 2.318 ( 5.397 0.000 -10.630) 11.922 2.483 ( -9.309 0.000 1.960) 9.513 2.502 ( -9.417 0.000 -3.412) 10.016 2.632 ( 0.966 0.000 0.811) 1.261 2.722 ( -12.345 0.000 2.261) 12.551 2.769 ( -4.019 0.000 -0.499) 4.049 2.799 ( -17.627 0.000 -11.956) 21.299 2.840 ( -14.503 0.000 3.090) 14.829 3.016 ( 21.001 0.000 5.701) 21.761 3.045 ( 0.773 0.000 1.393) 1.593 3.180 ( 6.369 0.000 1.888) 6.643 3.322 ( -6.959 0.000 3.833) 7.945 3.329 ( -0.746 0.000 -7.356) 7.394 3.371 ( 7.713 0.000 0.992) 7.777 3.495 ( 9.315 0.000 -9.963) 13.639 3.590 ( -4.140 0.000 0.461) 4.166 3.705 ( -5.850 0.000 4.100) 7.144 3.757 ( -13.289 0.000 -1.744) 13.402 3.894 ( 3.451 0.000 1.861) 3.920 3.908 ( 6.967 0.000 2.418) 7.375 3.986 ( -6.074 0.000 3.286) 6.906 4.075 ( 6.082 0.000 -11.805) 13.279 4.197 ( 3.303 0.000 -5.618) 6.517 4.209 ( -2.543 0.000 3.834) 4.601 4.327 ( 0.641 0.000 0.878) 1.087 4.342 ( -0.316 0.000 -1.450) 1.484 4.352 ( 7.345 0.000 5.347) 9.085 4.621 ( -10.490 0.000 -8.564) 13.542 4.701 ( -0.640 0.000 8.636) 8.659 4.706 ( 2.025 0.000 1.831) 2.730 4.795 ( 4.691 0.000 -3.855) 6.071 4.975 ( -5.099 0.000 -3.320) 6.085 5.024 ( -2.087 0.000 -0.591) 2.169 5.142 ( -4.143 0.000 2.739) 4.966 5.373 ( 1.900 0.000 -0.100) 1.902 5.378 ( 3.570 0.000 4.965) 6.115 5.442 ( 2.666 0.000 -3.397) 4.318 5.587 ( -0.068 0.000 0.765) 0.768 5.613 ( 6.400 0.000 -1.048) 6.485 5.619 ( -1.930 0.000 1.092) 2.218 5.744 ( -0.204 0.000 -0.350) 0.405 5.754 ( 4.163 0.000 -1.567) 4.448 5.808 ( -4.916 0.000 0.722) 4.969 5.825 ( 1.384 0.000 4.334) 4.550 5.925 ( 2.161 0.000 0.666) 2.261 6.006 ( -0.743 0.000 2.898) 2.992 6.068 ( -3.613 0.000 4.212) 5.549 6.120 ( -2.502 0.000 -5.718) 6.241 6.186 ( -1.037 0.000 4.190) 4.316 6.224 ( 0.030 0.000 5.735) 5.736 6.286 ( 0.020 0.000 1.476) 1.476 6.363 ( 0.804 0.000 -4.493) 4.564 6.462 ( 2.761 0.000 -6.421) 6.990 6.523 ( 5.604 0.000 6.667) 8.709 6.659 ( -0.506 0.000 0.042) 0.508 6.785 ( -4.835 0.000 -3.840) 6.174 6.797 ( 1.150 0.000 1.136) 1.616 6.880 ( 1.661 0.000 0.527) 1.743 6.983 ( -2.393 0.000 -4.079) 4.729 7.189 ( -3.926 0.000 -2.271) 4.535 7.403 ( -4.226 0.000 -2.456) 4.888 7.450 ( -6.528 0.000 -2.246) 6.903 7.540 ( -4.073 0.000 0.150) 4.076 7.854 ( 2.446 0.000 -5.262) 5.803 7.960 ( 3.917 0.000 -2.455) 4.623 8.034 ( -3.670 0.000 -1.226) 3.869 8.105 ( 1.109 0.000 0.260) 1.139 8.122 ( -2.184 0.000 4.871) 5.338 8.222 ( -1.115 0.000 -0.065) 1.117 8.318 ( -1.306 0.000 -1.629) 2.088 8.480 ( 1.078 0.000 6.521) 6.610 8.538 ( -2.159 0.000 0.215) 2.170 8.616 ( -3.234 0.000 -5.441) 6.330 8.680 ( -1.147 0.000 -0.426) 1.224 8.732 ( 1.215 0.000 1.234) 1.731 8.920 ( 1.207 0.000 3.009) 3.242 8.967 ( 5.049 0.000 2.350) 5.569 9.018 ( 0.520 0.000 -1.159) 1.271 9.085 ( 2.466 0.000 3.079) 3.945 9.162 ( -1.784 0.000 0.848) 1.975 9.173 ( 3.312 0.000 -0.428) 3.340 9.255 ( 0.533 0.000 -0.967) 1.104 9.313 ( -5.791 0.000 -0.591) 5.822 9.325 ( 2.002 0.000 0.356) 2.034 9.374 ( 2.183 0.000 0.397) 2.219 9.497 ( -4.502 0.000 -2.184) 5.004 9.557 ( 1.405 0.000 4.385) 4.605 9.770 ( 3.413 0.000 -1.787) 3.853 9.770 ( -1.988 0.000 -4.974) 5.356 9.887 ( -4.897 0.000 0.479) 4.920 9.950 ( 2.244 0.000 -0.888) 2.414 10.043 ( -2.343 0.000 -0.433) 2.383 10.176 ( -2.726 0.000 -0.585) 2.788 10.268 ( 1.845 0.000 -0.055) 1.846 10.421 ( -0.016 0.000 2.014) 2.014 11.251 ( -0.166 0.000 0.177) 0.242 11.297 ( 0.405 0.000 -0.190) 0.448 11.306 ( 1.527 0.000 -1.293) 2.001 11.312 ( -0.604 0.000 -0.041) 0.606 11.459 ( -0.132 0.000 -0.379) 0.401 11.479 ( 1.893 0.000 2.474) 3.115 11.602 ( 0.749 0.000 -0.683) 1.014 11.739 ( -1.206 0.000 0.547) 1.324 11.834 ( -0.056 0.000 0.728) 0.730 11.840 ( 0.413 0.000 0.616) 0.742 12.246 ( 0.722 0.000 -0.849) 1.115 12.271 ( -0.256 0.000 -1.088) 1.118 12.700 ( 1.216 0.000 -2.959) 3.199 12.721 ( -3.226 0.000 1.985) 3.788 12.767 ( 1.043 0.000 1.042) 1.474 12.814 ( -0.670 0.000 0.802) 1.045 12.918 ( 0.044 0.000 -1.118) 1.119 12.964 ( 1.247 0.000 1.053) 1.632 13.080 ( -1.397 0.000 -1.795) 2.275 13.226 ( 2.429 0.000 2.784) 3.694 13.274 ( 0.498 0.000 0.050) 0.500 13.302 ( -2.122 0.000 -3.450) 4.051 13.436 ( 1.949 0.000 1.544) 2.487 13.479 ( 1.885 0.000 0.520) 1.955 13.724 ( -0.548 0.000 -0.503) 0.744 13.851 ( -2.298 0.000 -2.030) 3.066 13.902 ( 2.590 0.000 2.933) 3.913 14.001 ( 0.781 0.000 1.683) 1.855 15.302 ( 0.433 0.000 -0.691) 0.816 15.397 ( 0.305 0.000 1.179) 1.218 15.415 ( -0.139 0.000 -1.278) 1.285 15.538 ( 0.717 0.000 1.518) 1.679 15.715 ( 0.059 0.000 -2.172) 2.172 15.795 ( 1.939 0.000 0.087) 1.941 15.926 ( -0.692 0.000 0.719) 0.998 15.951 ( -1.433 0.000 -0.167) 1.443 16.007 ( 0.113 0.000 0.841) 0.849 16.012 ( -0.608 0.000 1.279) 1.416 16.311 ( -1.219 0.000 -0.756) 1.435 16.433 ( 0.903 0.000 -0.337) 0.964 16.470 ( 0.229 0.000 0.100) 0.249 16.516 ( -0.613 0.000 1.044) 1.211 16.612 ( 0.447 0.000 1.609) 1.670 16.633 ( -0.344 0.000 0.836) 0.904 16.840 ( -0.118 0.000 -1.055) 1.061 16.902 ( 0.377 0.000 -0.313) 0.490 16.939 ( -0.225 0.000 0.071) 0.236 16.945 ( -1.434 0.000 0.347) 1.476 17.211 ( 0.344 0.000 -0.769) 0.843 17.245 ( 2.444 0.000 0.878) 2.597 17.271 ( -0.563 0.000 0.150) 0.583 17.433 ( 0.462 0.000 1.495) 1.564 17.436 ( -0.385 0.000 4.299) 4.316 17.476 ( 1.124 0.000 -3.845) 4.006 17.493 ( -0.562 0.000 -2.150) 2.222 17.654 ( -0.292 0.000 0.542) 0.616 17.996 ( 0.609 0.000 0.030) 0.609 18.094 ( 0.570 0.000 -1.966) 2.047 18.119 ( 0.371 0.000 -0.442) 0.577 18.269 ( 1.449 0.000 -0.417) 1.507 18.283 ( -0.287 0.000 -1.511) 1.538 18.332 ( -3.606 0.000 -1.893) 4.072 18.397 ( -0.461 0.000 2.224) 2.271 18.522 ( -1.385 0.000 0.122) 1.390 19.033 ( 0.614 0.000 0.013) 0.614 19.178 ( 1.301 0.000 -0.152) 1.310 19.407 ( -1.344 0.000 -1.525) 2.033 19.481 ( -2.177 0.000 1.792) 2.820 28.293 ( 0.160 0.000 0.362) 0.396 28.356 ( -0.142 0.000 0.123) 0.188 28.409 ( 1.040 0.000 -0.734) 1.273 28.572 ( -0.011 0.000 -1.493) 1.493 28.889 ( -1.971 0.000 1.352) 2.390 28.907 ( 1.205 0.000 0.431) 1.279 29.064 ( 0.841 0.000 0.461) 0.959 29.268 ( 1.854 0.000 8.365) 8.568 29.388 ( -1.480 0.000 -4.113) 4.371 29.501 ( 2.380 0.000 0.285) 2.397 29.621 ( -0.145 0.000 -1.620) 1.626 29.665 ( 1.407 0.000 0.492) 1.491 29.782 ( -0.180 0.000 0.285) 0.337 29.834 ( 0.557 0.000 1.831) 1.914 29.861 ( -1.754 0.000 -0.632) 1.864 29.935 ( -1.606 0.000 -0.674) 1.741 30.117 ( 2.687 0.000 0.613) 2.756 30.183 ( 0.457 0.000 -0.066) 0.461 30.185 ( -1.488 0.000 -2.230) 2.681 30.261 ( 0.657 0.000 2.050) 2.153 30.427 ( -3.948 0.000 3.507) 5.281 30.469 ( -2.326 0.000 -7.655) 8.000 30.597 ( 2.641 0.000 0.752) 2.746 30.787 ( -0.743 0.000 2.373) 2.487 30.843 ( -1.303 0.000 -0.086) 1.306 30.867 ( 6.357 0.000 1.285) 6.486 30.990 ( -5.273 0.000 0.224) 5.278 31.125 ( 4.272 0.000 1.419) 4.502 31.219 ( -1.477 0.000 -3.243) 3.563 31.237 ( -2.130 0.000 -1.195) 2.442 31.333 ( 6.562 0.000 -0.700) 6.599 31.489 ( -9.907 0.000 0.320) 9.912 31.568 ( 1.703 0.000 0.279) 1.725 31.624 ( 0.467 0.000 -0.141) 0.488 31.632 ( -1.363 0.000 0.116) 1.367 31.741 ( -2.213 0.000 -2.434) 3.289 31.786 ( 0.103 0.000 -0.876) 0.882 32.045 ( 0.523 0.000 -1.422) 1.515 32.718 ( 0.108 0.000 -1.211) 1.216 32.776 ( 1.062 0.000 0.031) 1.062 34.048 ( 16.909 0.000 -1.305) 16.959 34.086 ( 11.003 0.000 2.965) 11.395 34.366 ( -13.288 0.000 -0.092) 13.289 34.786 ( 5.141 0.000 6.530) 8.312 34.894 ( -3.790 0.000 -1.091) 3.943 35.124 ( 3.751 0.000 1.276) 3.962 35.401 ( -9.517 0.000 -7.110) 11.880 35.893 ( -4.888 0.000 2.346) 5.422 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.000 23.477 0.000) 23.477 0.555 ( 0.000 28.925 0.000) 28.925 1.058 ( 0.000 53.799 0.000) 53.799 2.031 ( 0.000 8.077 0.000) 8.077 2.185 ( 0.000 4.006 0.000) 4.006 2.314 ( 0.000 -9.152 0.000) 9.152 2.354 ( 0.000 12.146 0.000) 12.146 2.403 ( 0.000 -0.631 0.000) 0.631 2.725 ( 0.000 -7.487 0.000) 7.487 2.774 ( 0.000 2.146 0.000) 2.146 2.794 ( 0.000 7.327 0.000) 7.327 2.944 ( 0.000 -0.664 0.000) 0.664 3.014 ( 0.000 -3.959 0.000) 3.959 3.052 ( 0.000 -8.736 0.000) 8.736 3.068 ( 0.000 -1.264 0.000) 1.264 3.286 ( 0.000 3.730 0.000) 3.730 3.367 ( 0.000 -8.813 0.000) 8.813 3.449 ( 0.000 -6.290 0.000) 6.290 3.520 ( 0.000 11.396 0.000) 11.396 3.590 ( 0.000 4.504 0.000) 4.504 3.593 ( 0.000 1.145 0.000) 1.145 3.703 ( 0.000 -5.563 0.000) 5.563 3.820 ( 0.000 0.223 0.000) 0.223 3.831 ( 0.000 6.622 0.000) 6.622 3.885 ( 0.000 1.715 0.000) 1.715 4.005 ( 0.000 -2.876 0.000) 2.876 4.095 ( 0.000 -6.112 0.000) 6.112 4.197 ( 0.000 -4.352 0.000) 4.352 4.291 ( 0.000 -2.395 0.000) 2.395 4.326 ( 0.000 -1.722 0.000) 1.722 4.425 ( 0.000 -2.100 0.000) 2.100 4.539 ( 0.000 -1.543 0.000) 1.543 4.589 ( 0.000 0.802 0.000) 0.802 4.625 ( 0.000 3.464 0.000) 3.464 4.812 ( 0.000 6.121 0.000) 6.121 4.945 ( 0.000 -2.945 0.000) 2.945 4.975 ( 0.000 2.804 0.000) 2.804 5.059 ( 0.000 4.565 0.000) 4.565 5.090 ( 0.000 2.685 0.000) 2.685 5.158 ( 0.000 3.022 0.000) 3.022 5.282 ( 0.000 -1.842 0.000) 1.842 5.288 ( 0.000 1.482 0.000) 1.482 5.390 ( 0.000 -5.171 0.000) 5.171 5.477 ( 0.000 7.137 0.000) 7.137 5.499 ( 0.000 -3.861 0.000) 3.861 5.607 ( 0.000 1.767 0.000) 1.767 5.639 ( 0.000 4.556 0.000) 4.556 5.648 ( 0.000 1.892 0.000) 1.892 5.812 ( 0.000 -3.226 0.000) 3.226 5.839 ( 0.000 2.573 0.000) 2.573 5.900 ( 0.000 -2.109 0.000) 2.109 5.943 ( 0.000 -2.863 0.000) 2.863 6.036 ( 0.000 2.381 0.000) 2.381 6.185 ( 0.000 -9.216 0.000) 9.216 6.348 ( 0.000 7.502 0.000) 7.502 6.389 ( 0.000 -4.483 0.000) 4.483 6.444 ( 0.000 -2.752 0.000) 2.752 6.487 ( 0.000 0.864 0.000) 0.864 6.606 ( 0.000 1.065 0.000) 1.065 6.621 ( 0.000 1.371 0.000) 1.371 6.919 ( 0.000 -7.228 0.000) 7.228 6.949 ( 0.000 -0.906 0.000) 0.906 7.233 ( 0.000 -3.881 0.000) 3.881 7.280 ( 0.000 -0.250 0.000) 0.250 7.406 ( 0.000 -9.522 0.000) 9.522 7.521 ( 0.000 4.105 0.000) 4.105 7.639 ( 0.000 -8.772 0.000) 8.772 7.810 ( 0.000 -9.004 0.000) 9.004 7.833 ( 0.000 1.406 0.000) 1.406 7.899 ( 0.000 -2.671 0.000) 2.671 8.129 ( 0.000 -1.852 0.000) 1.852 8.157 ( 0.000 -0.525 0.000) 0.525 8.311 ( 0.000 3.818 0.000) 3.818 8.326 ( 0.000 2.179 0.000) 2.179 8.375 ( 0.000 7.505 0.000) 7.505 8.410 ( 0.000 -0.165 0.000) 0.165 8.462 ( 0.000 0.986 0.000) 0.986 8.580 ( 0.000 -2.085 0.000) 2.085 8.649 ( 0.000 -1.805 0.000) 1.805 8.703 ( 0.000 -7.470 0.000) 7.470 8.782 ( 0.000 3.541 0.000) 3.541 8.822 ( 0.000 -3.709 0.000) 3.709 8.904 ( 0.000 5.725 0.000) 5.725 8.960 ( 0.000 -4.831 0.000) 4.831 9.156 ( 0.000 2.635 0.000) 2.635 9.157 ( 0.000 12.120 0.000) 12.120 9.226 ( 0.000 5.787 0.000) 5.787 9.251 ( 0.000 -10.319 0.000) 10.319 9.433 ( 0.000 5.802 0.000) 5.802 9.453 ( 0.000 7.900 0.000) 7.900 9.467 ( 0.000 -0.908 0.000) 0.908 9.653 ( 0.000 1.892 0.000) 1.892 9.686 ( 0.000 -4.495 0.000) 4.495 9.910 ( 0.000 1.556 0.000) 1.556 9.954 ( 0.000 7.498 0.000) 7.498 10.009 ( 0.000 -2.772 0.000) 2.772 10.116 ( 0.000 -7.057 0.000) 7.057 10.288 ( 0.000 2.953 0.000) 2.953 10.314 ( 0.000 -3.854 0.000) 3.854 10.686 ( 0.000 -1.995 0.000) 1.995 11.207 ( 0.000 -1.291 0.000) 1.291 11.266 ( 0.000 -2.076 0.000) 2.076 11.335 ( 0.000 0.557 0.000) 0.557 11.371 ( 0.000 1.983 0.000) 1.983 11.389 ( 0.000 -1.088 0.000) 1.088 11.574 ( 0.000 -0.155 0.000) 0.155 11.593 ( 0.000 0.706 0.000) 0.706 11.634 ( 0.000 -2.000 0.000) 2.000 11.866 ( 0.000 6.563 0.000) 6.563 11.950 ( 0.000 -12.118 0.000) 12.118 12.234 ( 0.000 -0.097 0.000) 0.097 12.250 ( 0.000 -5.036 0.000) 5.036 12.650 ( 0.000 1.501 0.000) 1.501 12.780 ( 0.000 -0.703 0.000) 0.703 12.802 ( 0.000 -0.810 0.000) 0.810 12.898 ( 0.000 3.749 0.000) 3.749 12.925 ( 0.000 -0.964 0.000) 0.964 12.944 ( 0.000 -0.753 0.000) 0.753 12.973 ( 0.000 2.215 0.000) 2.215 13.205 ( 0.000 -1.377 0.000) 1.377 13.253 ( 0.000 -3.118 0.000) 3.118 13.268 ( 0.000 0.549 0.000) 0.549 13.356 ( 0.000 -3.409 0.000) 3.409 13.452 ( 0.000 -2.044 0.000) 2.044 13.614 ( 0.000 1.740 0.000) 1.740 13.821 ( 0.000 -3.581 0.000) 3.581 13.900 ( 0.000 1.482 0.000) 1.482 14.054 ( 0.000 1.328 0.000) 1.328 15.335 ( 0.000 -0.245 0.000) 0.245 15.360 ( 0.000 3.220 0.000) 3.220 15.367 ( 0.000 -0.184 0.000) 0.184 15.484 ( 0.000 2.172 0.000) 2.172 15.677 ( 0.000 1.949 0.000) 1.949 15.734 ( 0.000 3.325 0.000) 3.325 15.860 ( 0.000 -2.356 0.000) 2.356 15.936 ( 0.000 -0.516 0.000) 0.516 16.061 ( 0.000 -1.899 0.000) 1.899 16.073 ( 0.000 -1.552 0.000) 1.552 16.368 ( 0.000 1.482 0.000) 1.482 16.401 ( 0.000 2.014 0.000) 2.014 16.497 ( 0.000 -2.581 0.000) 2.581 16.498 ( 0.000 -1.382 0.000) 1.382 16.606 ( 0.000 1.290 0.000) 1.290 16.715 ( 0.000 -0.249 0.000) 0.249 16.890 ( 0.000 1.605 0.000) 1.605 16.943 ( 0.000 -0.808 0.000) 0.808 16.951 ( 0.000 -0.947 0.000) 0.947 17.018 ( 0.000 0.011 0.000) 0.011 17.149 ( 0.000 4.746 0.000) 4.746 17.241 ( 0.000 -0.723 0.000) 0.723 17.284 ( 0.000 1.365 0.000) 1.365 17.315 ( 0.000 -3.265 0.000) 3.265 17.387 ( 0.000 -1.245 0.000) 1.245 17.439 ( 0.000 -0.967 0.000) 0.967 17.547 ( 0.000 0.710 0.000) 0.710 17.555 ( 0.000 -1.186 0.000) 1.186 18.028 ( 0.000 0.971 0.000) 0.971 18.030 ( 0.000 -2.047 0.000) 2.047 18.043 ( 0.000 1.978 0.000) 1.978 18.079 ( 0.000 0.138 0.000) 0.138 18.312 ( 0.000 1.220 0.000) 1.220 18.342 ( 0.000 -0.946 0.000) 0.946 18.492 ( 0.000 2.102 0.000) 2.102 18.507 ( 0.000 1.610 0.000) 1.610 19.037 ( 0.000 1.803 0.000) 1.803 19.163 ( 0.000 4.047 0.000) 4.047 19.290 ( 0.000 -1.899 0.000) 1.899 19.636 ( 0.000 -3.893 0.000) 3.893 28.306 ( 0.000 2.540 0.000) 2.540 28.357 ( 0.000 0.946 0.000) 0.946 28.526 ( 0.000 -1.366 0.000) 1.366 28.640 ( 0.000 0.549 0.000) 0.549 28.891 ( 0.000 -0.628 0.000) 0.628 28.960 ( 0.000 0.835 0.000) 0.835 28.989 ( 0.000 1.295 0.000) 1.295 29.155 ( 0.000 -5.505 0.000) 5.505 29.416 ( 0.000 10.187 0.000) 10.187 29.492 ( 0.000 0.497 0.000) 0.497 29.521 ( 0.000 -1.238 0.000) 1.238 29.697 ( 0.000 3.292 0.000) 3.292 29.760 ( 0.000 -3.214 0.000) 3.214 29.876 ( 0.000 0.064 0.000) 0.064 29.908 ( 0.000 -1.532 0.000) 1.532 29.976 ( 0.000 -0.291 0.000) 0.291 30.061 ( 0.000 1.788 0.000) 1.788 30.218 ( 0.000 2.873 0.000) 2.873 30.233 ( 0.000 0.027 0.000) 0.027 30.288 ( 0.000 -2.566 0.000) 2.566 30.360 ( 0.000 -3.227 0.000) 3.227 30.514 ( 0.000 3.170 0.000) 3.170 30.544 ( 0.000 6.120 0.000) 6.120 30.669 ( 0.000 1.664 0.000) 1.664 30.787 ( 0.000 -2.213 0.000) 2.213 31.110 ( 0.000 -0.638 0.000) 0.638 31.124 ( 0.000 -4.828 0.000) 4.828 31.199 ( 0.000 -5.994 0.000) 5.994 31.405 ( 0.000 6.601 0.000) 6.601 31.406 ( 0.000 0.254 0.000) 0.254 31.459 ( 0.000 0.459 0.000) 0.459 31.479 ( 0.000 1.705 0.000) 1.705 31.514 ( 0.000 0.641 0.000) 0.641 31.670 ( 0.000 -4.565 0.000) 4.565 31.765 ( 0.000 -2.626 0.000) 2.626 31.854 ( 0.000 2.269 0.000) 2.269 31.940 ( 0.000 3.641 0.000) 3.641 32.118 ( 0.000 -1.722 0.000) 1.722 32.604 ( 0.000 6.777 0.000) 6.777 32.806 ( 0.000 -0.343 0.000) 0.343 33.397 ( 0.000 10.379 0.000) 10.379 34.250 ( 0.000 -0.983 0.000) 0.983 34.320 ( 0.000 -2.117 0.000) 2.117 34.650 ( 0.000 -9.617 0.000) 9.617 34.697 ( 0.000 0.451 0.000) 0.451 34.910 ( 0.000 -3.273 0.000) 3.273 35.302 ( 0.000 1.372 0.000) 1.372 35.979 ( 0.000 -9.837 0.000) 9.837 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 21.515 12.058 15.093) 28.915 0.969 ( 25.165 15.176 20.783) 35.994 1.504 ( 33.369 32.624 14.209) 48.782 1.884 ( 0.289 4.053 -13.269) 13.878 2.093 ( -8.691 7.439 -14.369) 18.367 2.226 ( -8.741 4.362 -2.378) 10.054 2.344 ( -0.417 0.126 4.161) 4.183 2.451 ( 6.078 -7.200 1.822) 9.597 2.639 ( -2.674 -1.893 -3.700) 4.942 2.809 ( 4.105 9.233 -2.153) 10.331 2.849 ( 1.915 -2.951 3.785) 5.167 2.915 ( -3.474 -2.146 -2.276) 4.675 2.979 ( -4.749 -1.310 1.363) 5.112 3.051 ( 4.800 -10.194 6.622) 13.069 3.109 ( -2.768 -2.933 -2.253) 4.620 3.282 ( -3.996 -2.249 -1.216) 4.743 3.328 ( -7.682 -1.007 6.795) 10.305 3.398 ( 2.077 1.193 -0.531) 2.453 3.500 ( 2.404 -1.151 0.237) 2.676 3.591 ( -2.075 1.049 -9.207) 9.496 3.612 ( -3.283 0.726 -3.068) 4.551 3.649 ( 3.740 1.672 -3.686) 5.511 3.756 ( -1.522 1.147 1.786) 2.611 3.849 ( -3.037 2.711 -4.041) 5.736 3.882 ( 8.637 -1.239 -2.208) 9.000 4.103 ( -2.536 -2.453 1.616) 3.881 4.144 ( 3.553 0.582 3.006) 4.690 4.229 ( 3.510 -1.532 -3.286) 5.046 4.267 ( 1.946 1.577 -0.641) 2.586 4.322 ( -4.672 2.687 -2.321) 5.869 4.374 ( -4.757 5.130 -3.701) 7.915 4.474 ( -3.491 -4.012 9.767) 11.121 4.503 ( 2.928 1.901 -4.298) 5.537 4.683 ( -1.300 -1.911 1.086) 2.554 4.845 ( 3.693 -0.494 1.908) 4.186 4.924 ( -2.917 1.683 -3.022) 4.525 5.000 ( -2.497 0.829 6.586) 7.092 5.014 ( -5.761 0.975 5.721) 8.178 5.112 ( 2.623 -3.715 -0.556) 4.582 5.243 ( 3.650 2.332 7.951) 9.054 5.298 ( -0.496 3.454 0.947) 3.615 5.336 ( -2.244 0.276 -3.515) 4.179 5.397 ( 7.119 -2.260 0.930) 7.526 5.485 ( 4.097 -1.748 1.875) 4.833 5.562 ( 0.589 2.434 -2.026) 3.221 5.588 ( 1.236 -2.813 1.416) 3.383 5.659 ( 8.926 3.764 -3.746) 10.386 5.747 ( 2.219 5.414 2.714) 6.450 5.798 ( 1.957 -0.898 -0.744) 2.279 5.870 ( -1.325 2.595 2.976) 4.165 5.884 ( 0.232 0.105 -1.955) 1.971 6.001 ( 2.500 0.881 7.177) 7.651 6.120 ( 3.844 -1.187 5.055) 6.461 6.226 ( 1.388 -8.172 0.418) 8.299 6.231 ( -4.922 -2.320 -2.424) 5.957 6.352 ( -6.007 -2.661 1.741) 6.797 6.437 ( -4.149 0.148 -6.297) 7.542 6.460 ( -3.040 1.569 -1.545) 3.754 6.487 ( 2.200 -2.198 -5.125) 5.995 6.699 ( -0.924 2.414 3.376) 4.252 6.860 ( -0.293 -4.157 -7.111) 8.242 6.937 ( -2.387 -2.817 0.936) 3.809 7.155 ( -4.173 2.636 -9.411) 10.627 7.205 ( -5.635 0.423 -6.090) 8.308 7.350 ( 0.977 -6.527 5.319) 8.477 7.617 ( -3.419 -5.703 -2.262) 7.024 7.682 ( 5.011 2.109 3.377) 6.400 7.730 ( -2.437 -9.283 -3.758) 10.307 7.847 ( 0.768 1.050 0.542) 1.409 7.913 ( -2.348 -5.042 4.922) 7.427 8.064 ( -3.169 1.081 -5.085) 6.089 8.179 ( -0.465 0.153 -0.891) 1.016 8.236 ( 0.174 -3.109 0.214) 3.121 8.308 ( -5.849 4.167 0.126) 7.183 8.350 ( -2.012 2.139 2.149) 3.639 8.436 ( -1.178 -1.026 1.451) 2.132 8.480 ( 5.000 2.695 -2.459) 6.190 8.618 ( -0.955 -2.545 1.758) 3.237 8.669 ( 4.580 -2.488 -1.338) 5.381 8.688 ( 1.765 0.239 -0.106) 1.784 8.777 ( -1.021 5.422 2.667) 6.128 8.836 ( 4.867 4.942 2.499) 7.373 8.972 ( 0.550 -3.704 2.876) 4.721 9.002 ( 2.123 0.338 -0.978) 2.362 9.095 ( -2.411 -1.284 0.400) 2.760 9.167 ( -0.688 1.013 -1.337) 1.813 9.233 ( 0.417 3.731 1.156) 3.928 9.315 ( -0.650 2.958 0.827) 3.139 9.394 ( -3.759 1.539 0.283) 4.071 9.444 ( -3.789 -1.395 7.272) 8.318 9.480 ( 0.177 4.357 -3.558) 5.628 9.650 ( 2.353 1.875 -0.715) 3.092 9.726 ( -0.471 -2.909 3.955) 4.932 9.909 ( -3.600 7.693 1.508) 8.627 9.944 ( 0.529 -3.187 -1.697) 3.649 9.988 ( 1.238 -3.368 -2.638) 4.454 10.144 ( 1.915 -4.528 1.014) 5.020 10.236 ( -2.630 -0.612 -2.811) 3.898 10.318 ( 0.216 -1.598 0.416) 1.665 10.545 ( -15.007 5.705 0.976) 16.084 11.218 ( -0.894 0.757 3.264) 3.468 11.276 ( -0.289 -1.201 1.064) 1.630 11.326 ( 3.214 3.313 -6.949) 8.343 11.343 ( 0.156 0.444 -0.745) 0.881 11.373 ( -1.198 0.763 -1.260) 1.899 11.489 ( -2.287 -0.206 -2.679) 3.528 11.594 ( 1.973 1.445 -1.199) 2.724 11.663 ( 1.736 -1.823 1.528) 2.945 11.852 ( -3.554 -1.757 -2.079) 4.477 11.872 ( -0.262 5.265 1.066) 5.378 12.185 ( 0.364 -1.621 -1.154) 2.023 12.267 ( 0.838 -4.602 -1.066) 4.797 12.670 ( 0.778 1.321 2.147) 2.638 12.765 ( -1.452 -1.605 -1.206) 2.477 12.802 ( 1.268 0.064 -0.514) 1.370 12.870 ( -0.794 0.390 -3.252) 3.370 12.917 ( 0.826 0.071 -2.449) 2.585 12.933 ( 0.112 0.421 -0.692) 0.818 13.074 ( 3.265 0.258 4.989) 5.968 13.188 ( -1.436 -0.269 -1.166) 1.869 13.228 ( 0.522 -2.742 -2.533) 3.770 13.248 ( -0.785 -2.036 -2.269) 3.148 13.315 ( 2.813 -1.097 1.744) 3.487 13.436 ( -0.907 -1.574 -1.687) 2.479 13.665 ( 3.817 1.743 2.782) 5.035 13.819 ( -0.424 -1.337 -2.708) 3.050 13.892 ( -0.767 -0.123 3.178) 3.272 14.025 ( -2.154 0.698 -1.997) 3.019 15.330 ( -0.620 0.623 -0.474) 0.999 15.350 ( -0.476 0.994 0.057) 1.104 15.384 ( 1.565 -1.170 0.031) 1.954 15.459 ( 0.204 -0.031 -0.209) 0.293 15.723 ( 1.325 1.023 0.940) 1.919 15.741 ( 2.141 1.757 -1.993) 3.413 15.887 ( 0.006 -1.664 3.574) 3.943 15.947 ( -0.192 -0.606 1.577) 1.700 16.025 ( -2.373 -0.953 0.388) 2.586 16.079 ( -0.290 0.330 -0.527) 0.686 16.337 ( -1.032 -1.438 -0.952) 2.010 16.424 ( 2.538 1.833 -1.130) 3.328 16.488 ( 0.118 -0.114 -0.291) 0.334 16.531 ( -0.068 -1.462 2.597) 2.981 16.548 ( -5.048 2.317 -0.857) 5.620 16.629 ( 0.526 1.693 -1.596) 2.385 16.905 ( -1.085 0.543 -0.931) 1.529 16.936 ( -0.870 0.283 1.816) 2.034 16.958 ( -0.787 -0.747 1.485) 1.839 16.999 ( -0.916 1.140 -1.581) 2.153 17.170 ( 1.451 4.152 -0.351) 4.412 17.230 ( 0.313 -0.087 -1.409) 1.446 17.275 ( -0.180 0.332 -0.295) 0.479 17.332 ( -0.211 -2.988 2.972) 4.220 17.391 ( 1.305 -1.440 -2.415) 3.099 17.440 ( 2.309 -1.457 -1.218) 2.990 17.548 ( 0.681 0.839 -1.004) 1.475 17.592 ( 1.984 -0.949 1.684) 2.770 17.999 ( 0.504 -0.487 -2.867) 2.951 18.063 ( 0.816 -0.988 1.761) 2.178 18.096 ( 1.486 -0.461 0.018) 1.556 18.187 ( 2.851 -3.485 -0.436) 4.524 18.298 ( -1.246 -1.366 2.317) 2.965 18.421 ( -1.184 0.015 1.231) 1.708 18.471 ( 0.578 0.382 4.559) 4.611 18.567 ( -0.046 0.745 3.841) 3.912 19.032 ( 0.323 2.656 -0.474) 2.717 19.163 ( 0.883 3.404 -1.059) 3.672 19.386 ( 0.589 -7.831 7.696) 10.995 19.583 ( -4.133 -3.481 -2.497) 5.953 28.300 ( -0.564 2.264 0.308) 2.354 28.361 ( -0.606 0.699 1.003) 1.365 28.486 ( -0.236 3.191 -3.885) 5.033 28.643 ( 0.596 0.913 -1.052) 1.515 28.850 ( -0.231 4.449 -2.351) 5.037 28.954 ( -3.838 0.135 4.732) 6.094 28.985 ( 1.160 2.172 0.122) 2.466 29.172 ( -0.307 -4.028 0.472) 4.068 29.363 ( -2.537 7.103 -0.764) 7.581 29.460 ( 0.470 4.020 0.493) 4.077 29.550 ( 3.917 2.213 1.359) 4.700 29.698 ( 0.533 -0.324 -2.732) 2.802 29.756 ( -0.768 -2.537 0.560) 2.709 29.844 ( -1.133 0.286 -0.566) 1.299 29.902 ( -1.699 -1.429 0.005) 2.220 29.939 ( -1.255 -0.897 1.012) 1.845 30.096 ( 2.598 3.115 1.717) 4.405 30.175 ( -1.008 2.278 -2.313) 3.399 30.226 ( -0.277 0.449 -0.557) 0.767 30.275 ( 0.087 1.896 -0.817) 2.066 30.426 ( -2.025 -3.687 6.147) 7.449 30.502 ( -0.830 1.529 1.101) 2.059 30.627 ( 3.606 0.667 2.629) 4.513 30.689 ( 1.760 1.135 1.020) 2.330 30.817 ( 2.481 -1.487 0.198) 2.899 30.954 ( -4.935 7.482 -0.333) 8.969 31.097 ( -8.645 -5.935 -3.202) 10.964 31.158 ( -2.395 -2.997 -0.355) 3.853 31.294 ( 0.711 2.611 -3.144) 4.148 31.392 ( -3.240 1.003 1.802) 3.841 31.428 ( -3.302 0.284 -1.236) 3.537 31.492 ( 3.049 0.163 -3.252) 4.461 31.601 ( 4.533 2.096 -1.467) 5.206 31.734 ( -4.652 3.004 -3.551) 6.579 31.748 ( 0.462 -0.163 1.442) 1.522 31.842 ( 1.095 3.394 1.913) 4.047 31.990 ( 2.847 1.768 0.691) 3.422 32.040 ( -1.316 0.537 -8.661) 8.777 32.635 ( 5.141 3.255 -0.302) 6.092 32.783 ( -0.205 0.061 -3.003) 3.010 33.456 ( 10.244 7.533 -2.747) 13.009 33.730 ( 15.238 15.306 -27.550) 35.007 34.515 ( -5.805 -10.438 5.964) 13.350 34.696 ( 3.568 -7.864 0.162) 8.637 34.772 ( -7.681 -1.578 6.442) 10.148 34.920 ( 3.236 -3.019 3.483) 5.632 35.695 ( 0.661 -18.775 19.938) 27.395 35.913 ( -7.127 -9.898 0.728) 12.219 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 25.287 0.402 15.346) 29.582 1.601 ( 22.538 6.964 10.444) 25.797 1.717 ( 6.948 1.451 -8.179) 10.830 1.893 ( 1.755 -2.642 -5.797) 6.608 2.045 ( -2.308 4.359 -2.075) 5.352 2.311 ( 13.748 7.122 5.974) 16.595 2.378 ( 12.050 -0.712 5.514) 13.271 2.515 ( 1.717 -2.618 4.262) 5.289 2.645 ( -1.961 2.272 4.597) 5.490 2.708 ( -5.479 1.849 1.388) 5.947 2.885 ( -1.949 -1.648 -1.432) 2.926 2.919 ( -3.760 -3.889 -1.044) 5.510 2.958 ( -1.122 2.623 2.928) 4.088 2.963 ( -2.275 -5.088 -3.984) 6.851 3.113 ( -11.363 -2.905 3.788) 12.326 3.213 ( 0.765 -5.023 1.441) 5.281 3.322 ( -2.038 1.505 -0.006) 2.533 3.392 ( -8.792 0.897 -9.039) 12.642 3.454 ( 6.247 8.305 -5.949) 11.974 3.568 ( 3.254 0.881 5.568) 6.509 3.601 ( 5.378 -0.190 -9.615) 11.018 3.629 ( 1.732 0.087 -1.697) 2.426 3.686 ( 3.876 -3.997 -2.805) 6.234 3.842 ( -4.708 -5.727 4.176) 8.508 3.906 ( -0.157 -0.822 -3.488) 3.587 4.036 ( -4.346 -1.415 2.294) 5.114 4.095 ( -2.027 3.897 0.873) 4.478 4.160 ( -2.674 -1.081 -6.626) 7.227 4.256 ( 0.283 1.380 0.236) 1.428 4.341 ( 7.522 5.488 -0.233) 9.314 4.399 ( -3.042 4.231 -1.390) 5.393 4.524 ( -0.219 7.127 0.044) 7.130 4.544 ( -1.284 0.640 -1.160) 1.846 4.678 ( 6.791 6.527 2.842) 9.838 4.810 ( -5.666 -4.121 -0.449) 7.021 4.880 ( -5.767 -3.612 4.330) 8.066 4.973 ( 0.182 2.448 -1.881) 3.093 5.080 ( -5.048 -4.221 6.425) 9.197 5.156 ( 0.597 -0.590 -0.571) 1.015 5.242 ( 3.832 -0.533 -3.200) 5.021 5.316 ( 1.514 1.684 5.425) 5.878 5.418 ( 2.807 -2.754 -0.410) 3.954 5.473 ( 1.636 -6.450 4.464) 8.013 5.566 ( 3.069 -1.921 4.511) 5.784 5.617 ( 0.371 -3.307 2.246) 4.015 5.635 ( 3.013 4.677 3.874) 6.779 5.742 ( 4.980 8.079 -6.552) 11.532 5.761 ( 2.097 2.953 -1.933) 4.106 5.823 ( 0.224 -7.451 -1.182) 7.548 5.902 ( 4.582 1.111 2.661) 5.414 5.914 ( -0.520 4.406 3.555) 5.685 6.102 ( -2.067 -2.503 -1.900) 3.762 6.137 ( -3.325 -0.115 7.506) 8.210 6.179 ( -1.644 -1.243 0.262) 2.078 6.221 ( -6.924 -5.440 2.512) 9.157 6.338 ( 4.479 -0.021 4.786) 6.555 6.360 ( -2.283 3.177 -0.980) 4.033 6.399 ( 5.324 -0.387 -6.440) 8.365 6.453 ( 2.242 -1.494 -4.753) 5.464 6.704 ( -0.593 3.420 0.332) 3.487 6.788 ( 0.104 -0.582 -3.588) 3.636 6.889 ( -4.709 -0.951 -0.600) 4.841 6.973 ( -1.868 1.946 -6.940) 7.446 7.087 ( -1.601 3.304 -5.394) 6.525 7.324 ( -5.725 -1.199 -0.541) 5.874 7.553 ( -5.414 -2.424 -0.139) 5.934 7.609 ( -3.715 -5.189 -4.018) 7.541 7.705 ( -5.336 4.388 -0.065) 6.909 7.823 ( -4.360 2.320 -0.476) 4.962 7.937 ( 3.141 0.633 -4.569) 5.581 8.026 ( 4.654 1.610 0.640) 4.966 8.148 ( -2.551 -3.863 -1.337) 4.819 8.200 ( -3.750 -3.958 -0.524) 5.478 8.266 ( 1.159 5.775 1.201) 6.011 8.315 ( -4.994 -2.815 4.049) 7.018 8.440 ( -0.367 5.704 -6.861) 8.930 8.482 ( 0.767 -2.208 2.753) 3.611 8.604 ( -0.518 -2.044 0.851) 2.274 8.723 ( 0.666 -2.336 2.335) 3.370 8.794 ( 3.067 0.045 3.029) 4.311 8.853 ( 5.501 2.002 2.493) 6.363 8.947 ( -1.790 4.780 -2.638) 5.746 8.975 ( 4.244 7.144 4.350) 9.379 9.009 ( 1.393 -2.001 -1.625) 2.931 9.074 ( -2.749 -6.017 2.298) 7.004 9.148 ( 2.758 -3.632 -1.485) 4.796 9.242 ( -1.829 0.399 2.387) 3.033 9.285 ( -2.749 2.477 1.834) 4.129 9.349 ( -3.170 0.221 2.803) 4.237 9.442 ( -0.475 -0.458 -2.281) 2.374 9.464 ( 0.976 -0.173 -0.146) 1.002 9.622 ( -5.174 2.589 0.431) 5.801 9.772 ( 3.898 3.187 -0.328) 5.046 9.848 ( -3.299 -0.005 -1.466) 3.610 9.907 ( -0.061 -2.287 -4.093) 4.689 9.989 ( -1.445 -1.085 0.398) 1.851 10.136 ( -1.389 0.161 -5.387) 5.566 10.197 ( 0.496 -1.725 1.535) 2.361 10.269 ( -11.941 -1.033 0.400) 11.993 10.386 ( 0.236 0.303 3.419) 3.440 11.248 ( -0.324 0.410 2.841) 2.888 11.282 ( 3.210 0.051 -3.373) 4.657 11.310 ( -0.014 0.429 -1.761) 1.813 11.338 ( -1.008 0.519 -0.667) 1.316 11.369 ( 1.501 -1.364 2.101) 2.920 11.463 ( -0.772 -0.691 0.578) 1.186 11.615 ( 1.923 1.983 -1.041) 2.952 11.712 ( 1.613 -1.643 1.581) 2.793 11.809 ( -0.696 -0.772 -0.111) 1.045 11.877 ( -0.568 3.522 0.739) 3.643 12.193 ( 1.563 -3.944 -1.264) 4.426 12.252 ( -0.329 -4.656 -2.081) 5.110 12.718 ( 0.840 0.553 0.798) 1.284 12.731 ( 0.951 0.755 -0.931) 1.530 12.777 ( -3.425 0.833 0.254) 3.534 12.849 ( -0.392 -0.145 -2.753) 2.784 12.896 ( 0.795 -0.741 0.825) 1.364 12.940 ( 0.823 0.796 0.850) 1.426 13.143 ( -1.619 0.222 -2.252) 2.783 13.158 ( 1.882 0.191 2.131) 2.850 13.225 ( 1.378 -3.196 -0.637) 3.538 13.282 ( 3.195 -5.164 1.420) 6.237 13.369 ( -0.524 -0.428 -2.252) 2.352 13.418 ( 3.073 -1.667 1.649) 3.866 13.746 ( -0.337 -0.358 -1.654) 1.726 13.804 ( 4.137 1.104 2.329) 4.874 13.909 ( -2.528 -1.742 -0.111) 3.072 13.974 ( -0.621 1.284 1.697) 2.217 15.304 ( -0.019 -0.001 -2.244) 2.244 15.354 ( -0.354 -1.827 1.325) 2.284 15.408 ( 0.712 -2.128 0.376) 2.276 15.475 ( 0.516 -2.080 0.758) 2.273 15.749 ( 1.723 1.729 -1.801) 3.034 15.762 ( 2.387 1.701 0.319) 2.948 15.916 ( -1.425 -0.676 2.928) 3.326 15.960 ( 0.184 -0.896 1.347) 1.628 16.012 ( -1.016 0.254 1.847) 2.123 16.049 ( -2.075 2.485 -0.828) 3.342 16.330 ( 0.514 -3.424 -0.015) 3.462 16.429 ( -1.838 3.480 -2.530) 4.679 16.445 ( -0.554 -1.482 0.590) 1.689 16.544 ( 1.012 1.520 1.838) 2.591 16.557 ( -0.287 -1.834 2.356) 3.000 16.629 ( 0.375 0.375 -0.577) 0.783 16.874 ( -0.157 1.205 -1.481) 1.915 16.943 ( -0.868 1.939 1.540) 2.623 16.945 ( -1.226 0.043 -0.480) 1.318 16.970 ( -1.277 0.960 0.213) 1.612 17.196 ( 1.556 2.146 0.506) 2.699 17.228 ( 1.430 0.883 -1.162) 2.043 17.271 ( -0.209 -0.321 0.042) 0.385 17.373 ( 0.251 -2.050 3.805) 4.329 17.391 ( 0.915 -2.038 -0.937) 2.423 17.459 ( 1.597 -2.256 -1.810) 3.304 17.539 ( 0.098 1.273 -1.738) 2.157 17.637 ( 0.991 -0.549 1.330) 1.747 17.985 ( 1.110 -0.507 -1.531) 1.958 18.087 ( 0.371 -1.671 -2.507) 3.036 18.097 ( 0.950 -1.702 -0.135) 1.954 18.206 ( 0.615 -3.071 -0.598) 3.189 18.303 ( -0.378 0.387 1.813) 1.892 18.389 ( -1.952 1.704 -1.405) 2.947 18.497 ( -1.174 3.826 0.685) 4.061 18.577 ( -2.047 1.772 1.846) 3.276 19.040 ( 0.974 2.506 -0.238) 2.699 19.174 ( 1.798 2.435 -0.754) 3.120 19.428 ( -3.147 -5.546 2.796) 6.963 19.478 ( -3.719 -2.573 -1.056) 4.645 28.301 ( -0.157 1.893 0.844) 2.079 28.361 ( -0.637 0.401 1.197) 1.414 28.449 ( 0.772 3.843 -3.893) 5.525 28.626 ( 0.372 2.113 -2.901) 3.608 28.863 ( 1.323 1.071 1.286) 2.133 28.947 ( -3.542 2.027 5.437) 6.798 29.015 ( 2.073 -0.366 -0.400) 2.142 29.171 ( -1.594 -2.276 4.056) 4.917 29.369 ( 2.523 0.968 -1.479) 3.080 29.489 ( 1.806 2.603 0.090) 3.169 29.618 ( 1.450 0.093 0.832) 1.675 29.670 ( 0.744 0.369 -2.915) 3.031 29.761 ( -0.089 -0.971 1.744) 1.999 29.832 ( -0.808 0.545 0.905) 1.330 29.867 ( -1.986 -1.440 -0.157) 2.459 29.937 ( -0.951 -1.783 0.875) 2.202 30.129 ( 1.067 2.916 -0.466) 3.140 30.177 ( 1.280 1.374 0.733) 2.016 30.230 ( -0.199 1.592 0.945) 1.862 30.272 ( 1.031 3.979 -0.723) 4.173 30.450 ( 0.314 -2.606 0.536) 2.679 30.496 ( -0.584 2.094 1.586) 2.691 30.699 ( 3.312 -3.408 -1.345) 4.938 30.743 ( 1.435 1.363 2.070) 2.863 30.794 ( -4.542 4.795 0.547) 6.627 30.908 ( -4.525 -0.740 -0.379) 4.600 31.014 ( 5.492 2.937 0.337) 6.237 31.077 ( -4.233 0.207 -1.120) 4.384 31.295 ( -1.993 0.299 -1.422) 2.467 31.325 ( 0.040 2.242 -2.549) 3.395 31.371 ( -2.080 3.142 -1.990) 4.261 31.521 ( 1.353 -0.506 -0.054) 1.445 31.625 ( 1.109 1.857 -1.759) 2.788 31.638 ( -1.910 2.565 -1.246) 3.432 31.715 ( -4.603 5.663 1.407) 7.432 31.841 ( -2.382 1.965 -1.622) 3.488 31.888 ( -2.383 2.640 -6.278) 7.216 32.050 ( 2.077 1.218 -1.021) 2.616 32.719 ( 3.623 -0.724 -1.051) 3.841 32.751 ( 0.768 0.638 -1.899) 2.146 33.699 ( 20.342 -0.334 -2.301) 20.475 33.866 ( 15.985 6.763 -2.414) 17.524 34.496 ( -5.052 -8.116 5.336) 10.949 34.634 ( -6.333 -0.939 1.605) 6.600 34.808 ( 2.490 -11.984 1.233) 12.302 34.991 ( 1.000 -3.143 2.310) 4.027 35.633 ( -10.823 -6.820 -4.916) 13.704 35.859 ( -7.142 -10.591 7.789) 14.961 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 14.949 -8.382 -3.354) 17.464 1.914 ( 2.625 -7.897 13.320) 15.706 1.978 ( 13.163 -7.021 5.493) 15.898 1.996 ( 7.791 1.328 -4.082) 8.895 2.142 ( 12.115 -1.021 3.993) 12.797 2.255 ( -2.483 -2.297 -6.280) 7.133 2.426 ( 2.015 -5.593 -0.278) 5.952 2.555 ( -9.844 -6.267 2.046) 11.847 2.619 ( -15.129 1.961 -1.296) 15.310 2.666 ( -7.762 -3.048 0.590) 8.360 2.764 ( 1.465 4.026 -1.538) 4.552 2.885 ( -6.028 7.878 -1.246) 9.998 2.936 ( -9.590 3.146 1.660) 10.228 3.083 ( -0.189 4.036 -4.563) 6.094 3.105 ( 12.318 -0.440 6.304) 13.845 3.145 ( 8.683 -2.326 10.875) 14.109 3.252 ( 6.932 -2.886 -7.732) 10.779 3.310 ( -6.354 2.106 5.683) 8.781 3.475 ( -8.450 2.642 -4.256) 9.823 3.514 ( 9.431 2.778 -8.058) 12.712 3.634 ( 0.133 -0.988 -3.388) 3.532 3.652 ( 4.061 3.981 -5.425) 7.859 3.717 ( -4.687 3.172 4.500) 7.230 3.870 ( 1.214 -7.067 5.384) 8.967 3.899 ( 2.422 0.374 0.922) 2.619 4.039 ( -1.795 -5.801 4.350) 7.470 4.071 ( -1.583 1.707 -2.672) 3.544 4.144 ( 2.675 -1.278 -1.350) 3.258 4.253 ( 2.369 10.772 -6.505) 12.805 4.326 ( 1.988 1.273 2.564) 3.485 4.436 ( 6.097 4.359 -2.973) 8.063 4.467 ( -6.274 1.221 3.183) 7.140 4.505 ( -2.775 -3.685 -0.208) 4.618 4.632 ( -8.875 3.095 -3.027) 9.874 4.791 ( -0.626 3.462 1.862) 3.980 4.897 ( 1.884 3.645 0.880) 4.196 4.958 ( 0.934 2.674 1.606) 3.256 5.054 ( -0.934 2.165 -2.607) 3.515 5.086 ( -4.449 -3.455 1.262) 5.772 5.296 ( 2.064 -5.683 -0.528) 6.069 5.418 ( 2.217 1.199 0.524) 2.574 5.466 ( 2.279 0.494 1.855) 2.980 5.544 ( 1.123 -5.980 2.988) 6.778 5.615 ( 1.377 -1.043 -3.485) 3.890 5.642 ( 0.099 1.216 6.508) 6.621 5.722 ( 2.218 -1.028 -1.134) 2.695 5.750 ( 1.206 -0.760 -1.933) 2.401 5.770 ( 1.957 -0.980 1.769) 2.814 5.830 ( -0.403 -4.301 -0.527) 4.352 5.882 ( -3.986 1.955 -1.187) 4.595 5.961 ( -1.532 -2.928 2.249) 3.997 6.047 ( 1.252 -0.603 1.025) 1.727 6.111 ( -2.850 -1.099 -2.805) 4.147 6.151 ( -1.244 -0.055 -0.318) 1.285 6.262 ( 1.069 -1.417 5.861) 6.124 6.314 ( -2.539 -2.158 1.233) 3.553 6.374 ( 2.594 1.194 -1.575) 3.262 6.505 ( 5.463 6.643 -0.939) 8.652 6.534 ( 6.925 1.310 3.185) 7.734 6.694 ( 0.154 -3.433 0.217) 3.443 6.716 ( -7.287 -0.179 -3.750) 8.197 6.793 ( -0.010 2.182 -1.930) 2.914 6.972 ( 2.038 6.238 0.358) 6.572 7.015 ( -0.711 3.868 -3.719) 5.413 7.227 ( -3.295 3.601 -1.095) 5.002 7.430 ( -5.148 2.075 -0.842) 5.614 7.517 ( -3.249 5.998 -0.790) 6.867 7.617 ( -2.478 5.208 -0.923) 5.840 7.713 ( -1.545 -4.921 -3.842) 6.431 8.011 ( 4.283 -2.064 -1.908) 5.123 8.028 ( -2.965 1.836 1.447) 3.775 8.088 ( -0.914 -1.617 -2.383) 3.021 8.188 ( 0.021 3.264 2.975) 4.417 8.296 ( -2.311 -4.685 0.866) 5.295 8.306 ( 1.351 7.311 0.164) 7.437 8.405 ( 1.350 0.233 0.517) 1.464 8.492 ( 0.156 -2.183 -1.071) 2.436 8.592 ( -1.314 3.360 -0.486) 3.640 8.702 ( -3.410 -1.815 -0.206) 3.868 8.844 ( 0.945 -6.316 3.879) 7.472 8.915 ( -0.812 -1.420 -2.783) 3.228 8.953 ( 2.518 6.878 -1.079) 7.404 8.992 ( 2.506 -0.187 0.780) 2.632 9.047 ( -0.988 -1.852 2.479) 3.248 9.123 ( 4.352 -2.297 0.937) 5.009 9.172 ( -1.368 -0.766 -1.028) 1.875 9.265 ( 1.033 0.883 3.589) 3.837 9.306 ( 2.324 -4.029 1.279) 4.824 9.327 ( -3.140 -1.061 2.229) 3.995 9.404 ( -1.818 -1.076 -1.182) 2.420 9.428 ( -1.344 -0.070 -2.874) 3.173 9.599 ( 0.106 4.936 2.404) 5.491 9.764 ( -1.208 -0.336 -4.907) 5.065 9.814 ( 3.414 2.002 -1.866) 4.375 9.876 ( -2.121 -1.610 -0.476) 2.705 9.935 ( -3.481 1.774 0.519) 3.941 10.039 ( -3.628 -1.165 -0.981) 3.935 10.148 ( -1.003 -1.850 -0.671) 2.209 10.234 ( 0.501 -3.711 0.913) 3.855 10.435 ( 0.487 -1.158 1.720) 2.129 11.255 ( -0.844 -0.314 0.706) 1.144 11.295 ( 1.594 -0.522 -1.873) 2.514 11.300 ( -0.426 -0.129 0.676) 0.809 11.324 ( 0.306 0.781 -0.601) 1.032 11.421 ( 1.761 -3.150 0.860) 3.710 11.457 ( -1.255 -0.316 1.136) 1.722 11.631 ( 0.733 2.317 -0.235) 2.441 11.741 ( 0.290 -0.216 0.518) 0.631 11.811 ( 0.498 -1.545 0.200) 1.636 11.870 ( -0.572 2.620 0.068) 2.683 12.201 ( 0.851 -4.610 -0.713) 4.741 12.220 ( -0.606 -4.953 -1.233) 5.140 12.705 ( 1.919 0.713 -3.099) 3.714 12.726 ( -3.429 0.529 1.591) 3.817 12.774 ( 1.159 1.157 0.472) 1.704 12.828 ( -0.727 1.131 1.701) 2.169 12.913 ( 0.548 -0.470 -0.353) 0.804 12.973 ( 0.941 0.957 0.594) 1.468 13.087 ( -1.294 0.664 -1.568) 2.139 13.213 ( 1.617 -1.274 2.127) 2.960 13.246 ( 1.026 -2.332 -0.212) 2.556 13.304 ( -1.444 -0.767 -2.480) 2.970 13.340 ( 1.004 -5.468 0.538) 5.585 13.499 ( 2.223 -1.278 1.415) 2.928 13.713 ( -0.358 -0.742 -0.845) 1.180 13.823 ( -1.641 -2.562 -1.855) 3.563 13.922 ( 1.936 1.695 2.485) 3.577 14.008 ( 0.370 0.722 1.758) 1.937 15.285 ( 0.135 -1.386 -1.045) 1.741 15.364 ( 0.209 -2.927 0.518) 2.980 15.409 ( -0.597 -1.021 -0.007) 1.183 15.488 ( 0.183 -4.827 0.608) 4.869 15.752 ( 0.521 3.684 -0.775) 3.801 15.805 ( 1.624 1.126 0.211) 1.987 15.928 ( 0.243 -0.546 1.278) 1.411 15.970 ( -0.675 0.783 0.114) 1.040 16.002 ( -1.085 2.304 0.027) 2.547 16.022 ( -0.555 -0.067 0.489) 0.743 16.342 ( 0.228 0.646 0.792) 1.048 16.381 ( -0.586 -1.434 -1.539) 2.184 16.451 ( -0.268 -0.463 0.858) 1.011 16.571 ( 0.021 2.132 1.028) 2.367 16.577 ( 0.242 -3.122 0.843) 3.242 16.623 ( -0.142 -1.109 -0.459) 1.209 16.870 ( 0.626 2.801 -0.451) 2.905 16.927 ( -0.333 0.130 -0.157) 0.391 16.941 ( -0.730 2.606 0.488) 2.750 16.955 ( -0.679 1.290 0.210) 1.473 17.219 ( 0.329 0.743 0.666) 1.051 17.249 ( 1.861 0.158 -1.588) 2.452 17.268 ( -0.376 -0.140 0.654) 0.767 17.397 ( 0.449 -2.755 0.194) 2.798 17.421 ( -0.062 -1.660 3.452) 3.831 17.451 ( 0.850 -2.425 -2.796) 3.797 17.518 ( -0.376 2.147 -0.991) 2.395 17.655 ( -0.018 -0.255 0.499) 0.561 17.999 ( 0.693 -0.089 0.472) 0.843 18.057 ( -0.056 -3.170 -1.856) 3.674 18.102 ( -0.051 -1.568 -0.461) 1.635 18.205 ( 0.081 -3.546 -0.143) 3.550 18.309 ( -1.083 1.262 0.014) 1.663 18.336 ( -0.348 2.294 -1.924) 3.014 18.488 ( -0.398 5.706 0.716) 5.764 18.558 ( -1.052 3.101 0.091) 3.276 19.052 ( 0.481 2.133 -0.042) 2.187 19.198 ( 1.203 1.936 -0.202) 2.288 19.379 ( -1.374 -2.871 -0.885) 3.303 19.452 ( -1.458 -2.738 1.428) 3.415 28.309 ( -0.019 1.524 0.445) 1.588 28.373 ( -0.111 1.290 1.967) 2.355 28.413 ( 0.127 1.060 -3.342) 3.508 28.604 ( 0.092 2.617 -1.194) 2.878 28.888 ( -0.258 -0.131 1.146) 1.182 28.957 ( -0.297 4.151 1.122) 4.310 29.042 ( 0.841 -2.431 0.314) 2.592 29.222 ( 0.351 -6.291 5.062) 8.082 29.368 ( 0.376 2.242 -2.811) 3.615 29.519 ( 1.502 1.147 -0.022) 1.890 29.627 ( 0.120 -0.174 -0.392) 0.445 29.647 ( -0.565 -2.111 -0.995) 2.401 29.776 ( -0.205 -0.511 0.534) 0.767 29.836 ( -0.336 -0.650 1.377) 1.559 29.850 ( 0.004 0.737 0.107) 0.745 29.921 ( -0.851 -0.234 -0.450) 0.990 30.169 ( 1.993 3.697 1.506) 4.462 30.197 ( 1.695 0.561 -0.826) 1.967 30.220 ( -1.397 1.064 0.695) 1.889 30.269 ( -1.225 4.017 -0.788) 4.273 30.443 ( 0.243 0.315 -1.161) 1.228 30.525 ( 0.451 6.206 0.315) 6.231 30.659 ( -0.279 3.839 -2.323) 4.496 30.744 ( -1.614 -3.136 2.515) 4.332 30.853 ( 2.223 2.525 2.720) 4.326 30.892 ( 2.712 1.087 0.208) 2.930 30.985 ( -4.552 -0.300 -0.693) 4.615 31.129 ( 4.505 0.472 1.510) 4.775 31.216 ( -2.768 -0.541 -2.277) 3.624 31.251 ( -3.701 2.187 -2.894) 5.182 31.388 ( 3.535 3.429 -0.162) 4.927 31.543 ( 1.185 0.652 -1.479) 2.004 31.586 ( -3.845 6.008 3.389) 7.897 31.618 ( -0.883 0.630 -1.446) 1.808 31.678 ( -0.106 5.558 -0.338) 5.570 31.755 ( -0.869 0.334 -3.539) 3.660 31.841 ( -1.287 5.249 0.402) 5.419 32.047 ( 0.168 0.040 -1.459) 1.470 32.718 ( 0.204 -0.016 -1.170) 1.188 32.771 ( 0.960 -0.626 -0.072) 1.148 34.013 ( 16.335 -2.571 0.121) 16.536 34.099 ( 9.363 1.245 1.646) 9.587 34.348 ( -13.443 -1.639 0.081) 13.543 34.703 ( 4.920 -8.143 7.092) 11.866 34.809 ( -1.909 -8.419 -0.996) 8.690 34.985 ( -2.754 -12.441 -1.959) 12.892 35.419 ( -4.706 1.047 -4.272) 6.441 35.820 ( -3.549 -7.046 2.443) 8.259 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 28.689 0.000) 28.689 1.105 ( 0.000 28.711 0.000) 28.711 1.931 ( 0.000 7.942 0.000) 7.942 2.013 ( 0.000 10.587 0.000) 10.587 2.110 ( 0.000 -17.965 0.000) 17.965 2.305 ( 0.000 8.037 0.000) 8.037 2.462 ( 0.000 13.261 0.000) 13.261 2.604 ( 0.000 2.734 0.000) 2.734 2.617 ( 0.000 11.476 0.000) 11.476 2.779 ( 0.000 -4.730 0.000) 4.730 2.904 ( 0.000 -6.151 0.000) 6.151 2.944 ( 0.000 5.787 0.000) 5.787 2.972 ( 0.000 8.867 0.000) 8.867 2.997 ( 0.000 3.225 0.000) 3.225 3.020 ( 0.000 -6.300 0.000) 6.300 3.254 ( 0.000 -4.011 0.000) 4.011 3.275 ( 0.000 -5.319 0.000) 5.319 3.292 ( 0.000 -5.870 0.000) 5.870 3.500 ( 0.000 -9.337 0.000) 9.337 3.556 ( 0.000 -3.728 0.000) 3.728 3.646 ( 0.000 0.192 0.000) 0.192 3.715 ( 0.000 4.487 0.000) 4.487 3.805 ( 0.000 -4.612 0.000) 4.612 3.823 ( 0.000 -10.204 0.000) 10.204 3.974 ( 0.000 5.597 0.000) 5.597 4.034 ( 0.000 6.325 0.000) 6.325 4.106 ( 0.000 4.144 0.000) 4.144 4.135 ( 0.000 -0.490 0.000) 0.490 4.291 ( 0.000 -0.191 0.000) 0.191 4.342 ( 0.000 8.587 0.000) 8.587 4.373 ( 0.000 -7.015 0.000) 7.015 4.480 ( 0.000 0.503 0.000) 0.503 4.682 ( 0.000 5.153 0.000) 5.153 4.683 ( 0.000 -0.064 0.000) 0.064 4.799 ( 0.000 -0.667 0.000) 0.667 4.858 ( 0.000 -1.221 0.000) 1.221 5.023 ( 0.000 0.762 0.000) 0.762 5.131 ( 0.000 1.345 0.000) 1.345 5.142 ( 0.000 3.286 0.000) 3.286 5.220 ( 0.000 1.293 0.000) 1.293 5.256 ( 0.000 -5.774 0.000) 5.774 5.342 ( 0.000 -3.880 0.000) 3.880 5.401 ( 0.000 10.370 0.000) 10.370 5.414 ( 0.000 -0.530 0.000) 0.530 5.528 ( 0.000 -1.773 0.000) 1.773 5.563 ( 0.000 -3.567 0.000) 3.567 5.670 ( 0.000 -1.550 0.000) 1.550 5.714 ( 0.000 -1.803 0.000) 1.803 5.791 ( 0.000 1.265 0.000) 1.265 5.795 ( 0.000 -0.030 0.000) 0.030 5.944 ( 0.000 -1.269 0.000) 1.269 5.947 ( 0.000 4.437 0.000) 4.437 6.043 ( 0.000 0.117 0.000) 0.117 6.081 ( 0.000 1.520 0.000) 1.520 6.294 ( 0.000 -4.771 0.000) 4.771 6.339 ( 0.000 -5.952 0.000) 5.952 6.478 ( 0.000 -1.996 0.000) 1.996 6.481 ( 0.000 4.010 0.000) 4.010 6.637 ( 0.000 0.881 0.000) 0.881 6.640 ( 0.000 0.712 0.000) 0.712 6.848 ( 0.000 2.039 0.000) 2.039 6.955 ( 0.000 2.144 0.000) 2.144 7.148 ( 0.000 -3.235 0.000) 3.235 7.205 ( 0.000 -9.653 0.000) 9.653 7.237 ( 0.000 -4.743 0.000) 4.743 7.409 ( 0.000 -13.754 0.000) 13.754 7.587 ( 0.000 2.555 0.000) 2.555 7.692 ( 0.000 -4.336 0.000) 4.336 7.871 ( 0.000 0.155 0.000) 0.155 7.909 ( 0.000 5.730 0.000) 5.730 8.076 ( 0.000 -7.317 0.000) 7.317 8.090 ( 0.000 -1.561 0.000) 1.561 8.296 ( 0.000 -1.483 0.000) 1.483 8.411 ( 0.000 3.392 0.000) 3.392 8.415 ( 0.000 0.865 0.000) 0.865 8.458 ( 0.000 -0.000 0.000) 0.000 8.526 ( 0.000 3.041 0.000) 3.041 8.531 ( 0.000 -0.222 0.000) 0.222 8.649 ( 0.000 2.243 0.000) 2.243 8.659 ( 0.000 2.461 0.000) 2.461 8.767 ( 0.000 -1.871 0.000) 1.871 8.852 ( 0.000 -0.337 0.000) 0.337 8.858 ( 0.000 -5.143 0.000) 5.143 8.946 ( 0.000 -2.916 0.000) 2.916 9.148 ( 0.000 2.670 0.000) 2.670 9.196 ( 0.000 2.643 0.000) 2.643 9.312 ( 0.000 4.717 0.000) 4.717 9.361 ( 0.000 5.494 0.000) 5.494 9.484 ( 0.000 4.649 0.000) 4.649 9.553 ( 0.000 6.211 0.000) 6.211 9.606 ( 0.000 4.129 0.000) 4.129 9.631 ( 0.000 -0.246 0.000) 0.246 9.705 ( 0.000 3.741 0.000) 3.741 9.848 ( 0.000 -5.396 0.000) 5.396 9.917 ( 0.000 -6.400 0.000) 6.400 9.924 ( 0.000 -11.435 0.000) 11.435 10.164 ( 0.000 11.436 0.000) 11.436 10.272 ( 0.000 0.669 0.000) 0.669 10.325 ( 0.000 0.099 0.000) 0.099 10.614 ( 0.000 -6.106 0.000) 6.106 11.180 ( 0.000 0.465 0.000) 0.465 11.271 ( 0.000 1.785 0.000) 1.785 11.339 ( 0.000 -0.475 0.000) 0.475 11.375 ( 0.000 -0.155 0.000) 0.155 11.382 ( 0.000 -1.449 0.000) 1.449 11.487 ( 0.000 -9.738 0.000) 9.738 11.609 ( 0.000 0.621 0.000) 0.621 11.620 ( 0.000 -0.026 0.000) 0.026 11.818 ( 0.000 1.426 0.000) 1.426 11.968 ( 0.000 3.096 0.000) 3.096 12.137 ( 0.000 -5.283 0.000) 5.283 12.199 ( 0.000 -3.093 0.000) 3.093 12.683 ( 0.000 1.773 0.000) 1.773 12.754 ( 0.000 -1.879 0.000) 1.879 12.803 ( 0.000 0.971 0.000) 0.971 12.890 ( 0.000 -2.537 0.000) 2.537 12.945 ( 0.000 1.015 0.000) 1.015 12.965 ( 0.000 2.613 0.000) 2.613 13.028 ( 0.000 3.238 0.000) 3.238 13.157 ( 0.000 -3.264 0.000) 3.264 13.193 ( 0.000 -2.121 0.000) 2.121 13.278 ( 0.000 -4.210 0.000) 4.210 13.292 ( 0.000 1.626 0.000) 1.626 13.397 ( 0.000 -3.422 0.000) 3.422 13.654 ( 0.000 2.354 0.000) 2.354 13.756 ( 0.000 -3.103 0.000) 3.103 13.944 ( 0.000 3.021 0.000) 3.021 14.054 ( 0.000 -1.390 0.000) 1.390 15.328 ( 0.000 -0.402 0.000) 0.402 15.344 ( 0.000 -1.222 0.000) 1.222 15.454 ( 0.000 5.176 0.000) 5.176 15.528 ( 0.000 1.837 0.000) 1.837 15.720 ( 0.000 2.483 0.000) 2.483 15.813 ( 0.000 4.198 0.000) 4.198 15.816 ( 0.000 -2.270 0.000) 2.270 15.911 ( 0.000 -1.798 0.000) 1.798 16.020 ( 0.000 -1.938 0.000) 1.938 16.036 ( 0.000 -2.115 0.000) 2.115 16.411 ( 0.000 2.740 0.000) 2.740 16.439 ( 0.000 0.799 0.000) 0.799 16.455 ( 0.000 -0.676 0.000) 0.676 16.465 ( 0.000 -1.794 0.000) 1.794 16.633 ( 0.000 1.439 0.000) 1.439 16.697 ( 0.000 -1.653 0.000) 1.653 16.920 ( 0.000 0.775 0.000) 0.775 16.932 ( 0.000 -0.868 0.000) 0.868 16.937 ( 0.000 0.851 0.000) 0.851 17.008 ( 0.000 -1.208 0.000) 1.208 17.233 ( 0.000 0.153 0.000) 0.153 17.238 ( 0.000 2.447 0.000) 2.447 17.273 ( 0.000 -0.195 0.000) 0.195 17.282 ( 0.000 -1.424 0.000) 1.424 17.349 ( 0.000 -1.221 0.000) 1.221 17.429 ( 0.000 -0.757 0.000) 0.757 17.548 ( 0.000 0.469 0.000) 0.469 17.560 ( 0.000 0.630 0.000) 0.630 18.001 ( 0.000 -0.650 0.000) 0.650 18.032 ( 0.000 -0.720 0.000) 0.720 18.083 ( 0.000 1.777 0.000) 1.777 18.086 ( 0.000 0.642 0.000) 0.642 18.326 ( 0.000 -0.582 0.000) 0.582 18.327 ( 0.000 0.223 0.000) 0.223 18.534 ( 0.000 1.845 0.000) 1.845 18.539 ( 0.000 1.413 0.000) 1.413 19.088 ( 0.000 3.412 0.000) 3.412 19.238 ( 0.000 -3.518 0.000) 3.518 19.269 ( 0.000 6.723 0.000) 6.723 19.537 ( 0.000 -6.300 0.000) 6.300 28.361 ( 0.000 2.547 0.000) 2.547 28.377 ( 0.000 0.901 0.000) 0.901 28.514 ( 0.000 0.756 0.000) 0.756 28.632 ( 0.000 -2.044 0.000) 2.044 28.914 ( 0.000 2.275 0.000) 2.275 28.986 ( 0.000 1.656 0.000) 1.656 29.005 ( 0.000 0.775 0.000) 0.775 29.039 ( 0.000 -5.430 0.000) 5.430 29.492 ( 0.000 -1.198 0.000) 1.198 29.500 ( 0.000 -0.160 0.000) 0.160 29.595 ( 0.000 6.730 0.000) 6.730 29.689 ( 0.000 -2.497 0.000) 2.497 29.776 ( 0.000 3.466 0.000) 3.466 29.854 ( 0.000 -2.938 0.000) 2.938 29.873 ( 0.000 -0.235 0.000) 0.235 29.944 ( 0.000 -2.849 0.000) 2.849 30.204 ( 0.000 12.327 0.000) 12.327 30.238 ( 0.000 0.447 0.000) 0.447 30.250 ( 0.000 -1.158 0.000) 1.158 30.257 ( 0.000 0.994 0.000) 0.994 30.297 ( 0.000 -2.936 0.000) 2.936 30.576 ( 0.000 2.093 0.000) 2.093 30.651 ( 0.000 3.096 0.000) 3.096 30.711 ( 0.000 -5.617 0.000) 5.617 30.737 ( 0.000 6.625 0.000) 6.625 31.048 ( 0.000 -8.353 0.000) 8.353 31.073 ( 0.000 -0.480 0.000) 0.480 31.106 ( 0.000 -0.782 0.000) 0.782 31.388 ( 0.000 -1.476 0.000) 1.476 31.464 ( 0.000 1.137 0.000) 1.137 31.472 ( 0.000 -0.811 0.000) 0.811 31.488 ( 0.000 -1.352 0.000) 1.352 31.526 ( 0.000 1.616 0.000) 1.616 31.603 ( 0.000 -3.088 0.000) 3.088 31.773 ( 0.000 3.830 0.000) 3.830 31.901 ( 0.000 1.197 0.000) 1.197 32.016 ( 0.000 4.023 0.000) 4.023 32.086 ( 0.000 -1.054 0.000) 1.054 32.716 ( 0.000 4.490 0.000) 4.490 32.796 ( 0.000 -0.717 0.000) 0.717 33.668 ( 0.000 17.133 0.000) 17.133 34.236 ( 0.000 -0.082 0.000) 0.082 34.258 ( 0.000 -5.289 0.000) 5.289 34.409 ( 0.000 -13.987 0.000) 13.987 34.713 ( 0.000 1.370 0.000) 1.370 34.830 ( 0.000 -4.552 0.000) 4.552 35.359 ( 0.000 5.064 0.000) 5.064 35.745 ( 0.000 -13.527 0.000) 13.527 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 13.771 20.309 6.431) 25.367 1.341 ( 16.848 22.351 13.872) 31.239 1.901 ( -4.800 -10.373 -4.677) 12.350 2.029 ( -5.201 4.725 -3.559) 7.876 2.155 ( 9.837 10.968 5.500) 15.726 2.305 ( -0.062 -5.902 7.620) 9.639 2.382 ( -5.999 7.116 -14.134) 16.923 2.503 ( 1.689 20.390 -7.750) 21.879 2.585 ( 0.430 -3.767 -5.075) 6.334 2.707 ( -3.548 -2.246 2.367) 4.820 2.841 ( 3.208 -1.674 -1.586) 3.951 2.898 ( -10.816 -5.736 -3.363) 12.696 2.967 ( -1.176 1.370 -2.323) 2.942 3.053 ( -0.766 6.383 2.617) 6.941 3.066 ( 7.849 2.117 -0.671) 8.157 3.212 ( -6.808 -4.081 1.963) 8.176 3.278 ( -2.571 -3.746 9.502) 10.532 3.459 ( 10.641 3.134 2.859) 11.455 3.463 ( -2.251 -3.304 1.932) 4.440 3.551 ( 4.747 -8.406 -3.435) 10.247 3.650 ( 0.781 1.116 -1.674) 2.158 3.686 ( -4.619 2.930 2.067) 5.847 3.717 ( -7.949 -3.209 3.903) 9.419 3.722 ( -8.926 -9.578 -3.034) 13.439 3.889 ( 2.702 2.901 -6.159) 7.325 4.025 ( 1.715 -5.691 -6.069) 8.495 4.205 ( 1.584 1.187 -5.921) 6.243 4.259 ( 5.480 0.472 4.402) 7.045 4.302 ( -7.444 -3.402 0.460) 8.198 4.378 ( 8.188 4.256 5.465) 10.725 4.446 ( -0.475 5.695 6.339) 8.535 4.557 ( 7.786 4.982 0.150) 9.245 4.570 ( -4.080 11.336 0.518) 12.059 4.652 ( -3.312 2.039 -1.136) 4.052 4.804 ( -0.867 -0.806 2.131) 2.438 4.898 ( 5.398 -4.673 0.297) 7.146 4.959 ( -6.336 0.624 -3.163) 7.109 5.025 ( -2.115 -4.820 0.835) 5.329 5.131 ( -1.634 2.593 3.227) 4.451 5.232 ( -1.467 -6.836 -3.765) 7.941 5.283 ( -2.045 1.014 -1.637) 2.809 5.356 ( 1.801 1.017 4.600) 5.044 5.440 ( 3.282 -0.810 6.445) 7.278 5.452 ( 3.341 2.752 -4.554) 6.283 5.518 ( -2.906 1.005 4.541) 5.484 5.627 ( 1.865 -0.016 -0.159) 1.872 5.720 ( 0.544 -1.338 -3.439) 3.730 5.738 ( 6.371 -2.031 2.978) 7.321 5.838 ( 5.447 -1.611 3.553) 6.700 5.860 ( 3.438 0.645 2.907) 4.549 5.922 ( 0.661 2.307 0.391) 2.432 6.022 ( -0.322 1.321 4.558) 4.757 6.059 ( 2.585 0.351 1.376) 2.949 6.140 ( 0.829 -2.287 4.309) 4.948 6.193 ( -3.022 0.091 -3.436) 4.577 6.325 ( -2.697 -2.089 -3.101) 4.610 6.404 ( 1.865 -2.016 -5.742) 6.365 6.476 ( -2.448 -0.877 -2.887) 3.886 6.540 ( -1.694 6.602 -4.229) 8.022 6.729 ( 3.320 -1.040 1.062) 3.638 6.808 ( -0.243 0.788 -4.469) 4.544 6.932 ( -0.746 1.001 -2.927) 3.183 7.104 ( -4.686 -4.606 -5.844) 8.794 7.181 ( 0.507 -4.392 -6.641) 7.978 7.240 ( 3.834 -2.767 6.500) 8.037 7.462 ( 0.877 -9.852 1.595) 10.018 7.633 ( -4.109 -0.916 -3.345) 5.377 7.714 ( 9.807 -1.799 3.161) 10.460 7.838 ( -1.699 -0.435 -1.065) 2.051 7.883 ( -0.742 2.628 0.111) 2.732 7.983 ( -3.954 -5.549 -4.279) 8.046 8.127 ( -1.576 -5.839 4.573) 7.582 8.281 ( -2.630 7.069 -3.887) 8.485 8.295 ( -0.713 -1.353 0.057) 1.531 8.430 ( -2.965 4.187 -0.401) 5.146 8.461 ( 0.545 -1.519 0.247) 1.632 8.543 ( -0.316 6.813 -0.820) 6.869 8.607 ( -0.143 -3.909 7.897) 8.812 8.646 ( 2.448 0.940 1.999) 3.297 8.700 ( 3.980 1.272 -0.740) 4.243 8.770 ( 2.368 -8.143 -6.331) 10.582 8.836 ( 3.040 1.125 0.724) 3.321 8.969 ( 3.324 -0.166 4.368) 5.492 9.012 ( 2.686 3.798 3.210) 5.652 9.144 ( -5.663 -0.567 0.978) 5.775 9.182 ( -0.152 4.184 1.578) 4.474 9.268 ( -4.041 2.292 1.311) 4.827 9.380 ( -1.893 2.714 -0.003) 3.308 9.455 ( 0.700 6.513 1.232) 6.665 9.500 ( -4.978 5.252 0.005) 7.237 9.550 ( -5.857 1.270 -1.485) 6.175 9.667 ( 0.197 -0.526 1.410) 1.518 9.726 ( 1.442 3.300 2.751) 4.532 9.848 ( 0.436 -6.260 -4.208) 7.555 9.883 ( 2.252 -6.771 -0.397) 7.146 10.005 ( 1.502 -9.147 5.709) 10.886 10.094 ( -6.002 9.781 -2.288) 11.702 10.212 ( -1.398 -0.191 -3.606) 3.872 10.309 ( -2.385 0.182 -0.803) 2.523 10.536 ( -9.198 -5.088 -0.489) 10.523 11.187 ( 0.310 -0.227 0.701) 0.800 11.288 ( 0.213 1.333 1.776) 2.231 11.344 ( 0.253 -0.163 0.038) 0.303 11.357 ( 0.334 -1.175 -2.656) 2.924 11.379 ( -0.988 -0.033 0.084) 0.992 11.448 ( -2.038 -5.645 -0.565) 6.028 11.625 ( 2.307 1.479 -0.582) 2.802 11.651 ( 2.498 -0.050 0.347) 2.523 11.806 ( -1.276 1.671 0.299) 2.123 11.958 ( -1.026 2.544 -0.385) 2.770 12.143 ( 0.833 -5.269 -0.723) 5.383 12.169 ( -1.214 -2.417 -2.223) 3.502 12.700 ( 0.444 1.648 2.406) 2.950 12.750 ( -0.325 -0.641 0.003) 0.719 12.809 ( 1.571 1.139 -0.718) 2.069 12.886 ( -0.329 0.175 -2.279) 2.309 12.919 ( -0.806 0.400 -0.651) 1.111 12.946 ( -1.142 0.693 -2.480) 2.817 13.085 ( 3.193 0.804 3.363) 4.707 13.152 ( 0.406 -2.980 -1.287) 3.271 13.182 ( -0.341 -2.037 -0.718) 2.187 13.202 ( -2.563 -1.632 -3.327) 4.505 13.309 ( 1.898 0.413 0.429) 1.989 13.389 ( -0.092 -3.050 -1.558) 3.426 13.703 ( 3.259 2.142 2.692) 4.739 13.788 ( 1.404 -2.059 0.861) 2.637 13.911 ( -2.112 2.343 -0.283) 3.167 14.018 ( -2.536 -1.615 -1.887) 3.550 15.324 ( -0.923 -0.593 0.823) 1.371 15.344 ( -0.211 -1.584 -0.123) 1.603 15.405 ( -2.691 3.117 -3.150) 5.185 15.474 ( -1.916 0.719 -2.472) 3.209 15.755 ( 0.990 2.182 2.697) 3.607 15.803 ( -0.143 2.985 -0.417) 3.017 15.853 ( 0.837 -1.155 3.052) 3.369 15.924 ( 0.470 -1.743 1.281) 2.214 16.011 ( -0.044 0.011 0.531) 0.533 16.066 ( 1.504 -1.402 0.511) 2.119 16.336 ( -4.067 1.124 -0.838) 4.302 16.414 ( -2.281 -2.129 0.412) 3.147 16.493 ( 2.076 -0.053 2.160) 2.996 16.516 ( 1.543 -0.351 1.207) 1.990 16.590 ( -3.311 2.485 -2.745) 4.967 16.647 ( -0.002 0.176 -3.068) 3.073 16.917 ( -0.676 0.290 -0.361) 0.819 16.941 ( -0.888 -0.919 1.930) 2.315 16.954 ( 0.559 1.842 1.331) 2.340 17.012 ( 0.679 -0.052 -0.716) 0.988 17.223 ( 1.622 -0.537 -2.575) 3.090 17.246 ( 0.462 0.955 -0.966) 1.435 17.261 ( -0.917 0.497 1.424) 1.765 17.302 ( -0.027 0.229 2.356) 2.367 17.365 ( 1.463 -1.499 -1.640) 2.660 17.409 ( 0.763 -1.325 -2.093) 2.592 17.563 ( 0.907 0.708 -0.533) 1.268 17.580 ( 1.498 -0.240 1.811) 2.362 17.990 ( -0.211 0.014 -1.440) 1.455 18.044 ( -0.156 -1.370 1.621) 2.128 18.088 ( 0.151 -0.318 -1.402) 1.446 18.127 ( 1.273 -1.996 1.996) 3.097 18.314 ( 0.576 2.305 1.398) 2.756 18.406 ( 2.169 -1.345 3.739) 4.527 18.517 ( 0.434 3.017 0.512) 3.090 18.581 ( 1.225 0.164 1.222) 1.738 19.095 ( 0.591 3.853 0.222) 3.904 19.241 ( 1.544 1.873 -3.053) 3.900 19.284 ( -0.991 -1.049 4.916) 5.123 19.494 ( -3.139 -5.610 -2.137) 6.775 28.352 ( -1.394 2.668 1.279) 3.270 28.377 ( -0.889 0.837 1.020) 1.591 28.517 ( 0.803 1.567 -0.885) 1.971 28.638 ( 0.194 -1.933 0.603) 2.034 28.902 ( -0.125 2.080 -1.432) 2.528 28.964 ( -3.283 0.341 1.312) 3.552 29.018 ( 2.746 1.099 -1.423) 3.282 29.070 ( 2.464 -4.604 -0.375) 5.236 29.466 ( -1.907 2.154 -0.278) 2.891 29.517 ( -0.197 1.125 1.990) 2.294 29.599 ( 0.532 2.484 -0.684) 2.630 29.687 ( -0.111 -1.299 -0.433) 1.374 29.764 ( -0.380 3.617 -0.703) 3.705 29.833 ( -0.450 -1.185 -1.213) 1.754 29.877 ( 0.153 -0.473 0.035) 0.499 29.924 ( -1.775 -1.267 0.422) 2.221 30.204 ( -1.378 2.243 -0.605) 2.701 30.219 ( 0.528 6.413 0.370) 6.445 30.241 ( 1.625 2.702 -1.059) 3.326 30.281 ( 1.895 -0.425 0.016) 1.942 30.357 ( 1.558 -2.814 4.108) 5.217 30.556 ( -2.009 2.927 1.262) 3.768 30.657 ( 0.244 1.204 -0.294) 1.263 30.733 ( -0.347 0.231 2.584) 2.617 30.747 ( 4.816 -2.499 -4.123) 6.815 30.962 ( -6.106 -6.304 -2.436) 9.108 31.055 ( -1.744 2.253 2.697) 3.923 31.137 ( 1.962 -0.000 1.939) 2.759 31.333 ( -2.043 0.916 -3.685) 4.312 31.409 ( -4.403 -0.616 -1.886) 4.829 31.450 ( -0.533 3.811 0.624) 3.898 31.519 ( 4.175 2.524 -3.660) 6.099 31.598 ( 4.028 -2.373 -0.622) 4.716 31.696 ( 8.917 -4.553 -0.090) 10.013 31.778 ( -1.769 3.574 0.151) 3.991 31.887 ( -2.715 0.210 2.049) 3.408 32.038 ( 1.659 2.894 -1.057) 3.499 32.066 ( 0.554 1.434 -2.885) 3.269 32.714 ( 0.533 3.905 -0.957) 4.055 32.782 ( -0.103 -0.254 -1.943) 1.962 33.683 ( 2.312 15.327 -1.442) 15.567 33.979 ( 3.287 10.494 -16.647) 19.951 34.298 ( -5.711 -11.772 4.492) 13.833 34.455 ( 3.979 -14.732 1.178) 15.305 34.772 ( -7.612 0.370 4.689) 8.948 34.848 ( 1.502 -3.806 6.517) 7.695 35.483 ( 2.994 -3.957 9.332) 10.569 35.696 ( -4.147 -11.719 -1.342) 12.503 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 16.204 6.917 4.877) 18.281 1.728 ( -3.498 -3.915 -2.951) 6.022 1.787 ( 15.366 7.383 6.764) 18.340 1.879 ( -3.373 8.574 -6.951) 11.541 2.149 ( 2.137 -7.047 -10.633) 12.935 2.218 ( 5.091 6.120 -4.862) 9.328 2.498 ( -3.008 0.767 9.080) 9.596 2.539 ( -13.990 -4.562 0.731) 14.734 2.646 ( 4.924 0.592 7.694) 9.154 2.681 ( 3.706 0.257 5.176) 6.371 2.736 ( 3.713 -4.479 -3.827) 6.964 2.851 ( 3.986 -6.646 0.163) 7.751 2.908 ( -8.080 -1.019 1.265) 8.241 3.037 ( -1.193 -1.196 -6.107) 6.336 3.076 ( -2.666 8.496 5.707) 10.576 3.157 ( -4.441 -0.012 2.729) 5.212 3.310 ( -2.651 -3.975 -0.287) 4.786 3.466 ( -3.339 -1.321 -0.965) 3.718 3.535 ( 2.853 2.316 -8.496) 9.257 3.555 ( 2.106 -2.794 0.671) 3.563 3.615 ( -3.427 3.988 3.016) 6.061 3.646 ( 1.793 0.829 2.247) 2.992 3.691 ( 2.287 1.244 0.171) 2.609 3.792 ( 8.109 5.039 -0.138) 9.548 3.879 ( 3.992 -4.585 -0.885) 6.143 3.987 ( 0.628 -4.446 -3.951) 5.981 4.073 ( -6.827 1.949 -0.563) 7.122 4.247 ( -2.933 -0.285 1.768) 3.436 4.340 ( -3.420 6.439 -0.492) 7.307 4.368 ( -10.730 -0.373 4.778) 11.752 4.432 ( 6.226 1.953 0.299) 6.532 4.529 ( 1.455 1.866 -4.597) 5.170 4.624 ( -4.087 -0.146 1.000) 4.210 4.787 ( -5.585 1.248 -2.489) 6.241 4.806 ( 5.925 -1.590 5.598) 8.305 4.884 ( 9.216 9.590 5.982) 14.584 4.982 ( -2.062 -2.156 -2.913) 4.170 5.028 ( -0.764 -0.687 1.447) 1.775 5.133 ( 0.984 -5.234 -5.574) 7.709 5.223 ( 5.554 1.743 4.493) 7.353 5.281 ( -0.714 -3.884 3.733) 5.434 5.414 ( 2.581 4.347 -0.080) 5.056 5.429 ( -0.898 1.113 2.137) 2.572 5.512 ( -0.853 -4.774 1.402) 5.048 5.581 ( 0.986 0.669 3.335) 3.542 5.648 ( 1.011 -5.849 2.751) 6.543 5.687 ( -0.370 -0.546 -1.518) 1.655 5.799 ( 1.063 1.813 -1.969) 2.880 5.898 ( -0.591 3.826 -3.339) 5.112 5.969 ( 5.195 3.784 -1.127) 6.525 5.981 ( -0.703 1.878 5.793) 6.130 6.049 ( -3.866 -1.522 3.091) 5.179 6.057 ( 1.017 -3.949 1.368) 4.301 6.138 ( -2.179 -2.658 2.208) 4.085 6.171 ( -0.604 -1.074 -1.564) 1.991 6.339 ( -2.613 -1.051 -2.385) 3.691 6.351 ( 0.147 -1.338 -1.598) 2.090 6.392 ( 6.595 -3.256 -4.212) 8.475 6.560 ( 7.002 9.876 -1.132) 12.159 6.720 ( -1.423 1.184 -4.482) 4.849 6.801 ( 3.693 -0.016 -2.623) 4.530 6.842 ( -3.378 -2.637 -4.349) 6.106 7.039 ( 2.463 4.245 -1.433) 5.113 7.121 ( 1.189 -0.500 -4.704) 4.878 7.337 ( -0.938 1.907 2.690) 3.428 7.475 ( -1.200 -4.831 2.551) 5.593 7.535 ( -0.998 -0.410 -2.449) 2.676 7.728 ( -5.824 -2.796 -0.614) 6.490 7.860 ( -1.526 0.049 -2.066) 2.569 7.960 ( 7.938 1.672 -0.461) 8.126 7.970 ( 5.942 -7.350 3.719) 10.156 8.124 ( -5.905 3.729 -4.153) 8.125 8.150 ( -1.366 0.684 2.194) 2.673 8.295 ( -3.281 2.274 -0.337) 4.006 8.430 ( 1.626 0.130 1.160) 2.002 8.459 ( -0.432 1.431 -1.043) 1.823 8.505 ( 1.461 7.173 -3.971) 8.328 8.646 ( -0.377 -3.320 1.542) 3.680 8.721 ( 3.167 7.588 -1.948) 8.450 8.740 ( 1.605 -4.611 1.599) 5.137 8.809 ( 3.055 -11.546 0.216) 11.945 8.894 ( 3.283 -1.395 0.053) 3.567 8.952 ( -4.846 1.386 -1.622) 5.294 9.040 ( -2.066 1.394 2.604) 3.605 9.129 ( -2.137 1.826 5.806) 6.451 9.143 ( -7.281 -0.395 0.403) 7.303 9.214 ( -0.158 1.633 1.234) 2.052 9.359 ( -0.431 6.432 -0.755) 6.491 9.398 ( -5.133 1.800 0.770) 5.494 9.444 ( -6.816 0.550 0.711) 6.875 9.501 ( 1.939 5.013 -1.184) 5.504 9.625 ( -3.447 -2.138 4.096) 5.764 9.806 ( 1.091 -3.088 -4.308) 5.411 9.849 ( 3.236 -3.029 -3.285) 5.517 9.854 ( -0.348 -0.638 -0.935) 1.184 10.002 ( -1.663 5.336 1.242) 5.725 10.095 ( 0.319 -7.732 5.446) 9.463 10.148 ( -2.852 0.292 -3.274) 4.352 10.228 ( -7.950 -1.456 -0.657) 8.109 10.355 ( -6.795 -4.340 0.438) 8.075 11.203 ( 0.130 -1.291 1.286) 1.827 11.296 ( -0.120 -0.715 -0.087) 0.730 11.331 ( -0.406 0.200 -2.227) 2.272 11.338 ( -1.497 -0.276 -0.372) 1.567 11.372 ( 1.538 1.061 0.895) 2.072 11.446 ( -0.404 -1.684 1.802) 2.500 11.659 ( 2.151 2.257 -0.481) 3.154 11.698 ( 2.961 -0.098 -0.441) 2.996 11.794 ( -0.577 1.116 0.558) 1.375 11.930 ( -1.394 1.114 -0.479) 1.848 12.127 ( -0.294 -2.993 -2.393) 3.843 12.138 ( 0.101 -5.216 -1.590) 5.454 12.738 ( 0.888 1.592 -0.433) 1.874 12.761 ( 1.277 1.404 0.626) 1.998 12.804 ( -2.068 2.564 -0.002) 3.294 12.851 ( 0.492 0.421 -2.101) 2.198 12.881 ( -0.706 -0.975 -0.425) 1.277 12.939 ( 1.018 -1.392 1.562) 2.327 13.144 ( -0.419 -0.702 -1.216) 1.465 13.167 ( 0.711 0.244 -0.134) 0.764 13.171 ( 1.667 -1.564 1.369) 2.664 13.189 ( 2.532 -3.114 0.085) 4.014 13.355 ( -0.319 -1.217 -2.203) 2.537 13.369 ( 3.017 -2.579 1.241) 4.159 13.752 ( -0.643 0.795 -2.409) 2.617 13.803 ( 1.761 -1.304 -1.202) 2.499 13.902 ( -0.711 1.469 2.748) 3.196 13.980 ( -0.445 -0.832 2.441) 2.617 15.312 ( -1.604 0.294 -2.951) 3.371 15.318 ( -0.737 -0.989 0.606) 1.374 15.351 ( -1.117 -2.496 1.008) 2.915 15.429 ( -1.536 -2.889 -0.981) 3.416 15.800 ( 1.609 2.193 0.954) 2.883 15.807 ( 0.646 3.301 1.083) 3.533 15.894 ( -0.566 -1.025 3.101) 3.315 15.951 ( 0.158 -1.227 2.287) 2.600 16.029 ( 1.005 1.899 0.152) 2.154 16.075 ( -0.235 0.292 -1.160) 1.219 16.292 ( -0.887 0.020 0.825) 1.211 16.400 ( -1.546 -3.364 3.055) 4.800 16.496 ( -2.898 2.210 -1.861) 4.092 16.523 ( -0.757 -0.862 0.112) 1.153 16.564 ( 2.227 1.013 0.253) 2.459 16.625 ( 0.860 -0.804 -2.919) 3.147 16.913 ( 0.127 1.799 0.400) 1.847 16.935 ( -2.095 -0.421 1.536) 2.632 16.975 ( 0.344 1.936 1.333) 2.376 17.009 ( 0.725 2.095 -1.119) 2.484 17.226 ( 0.911 0.108 -1.478) 1.739 17.246 ( 1.940 -1.680 -1.688) 3.071 17.268 ( 0.068 3.022 0.611) 3.084 17.333 ( 0.001 -1.419 3.078) 3.389 17.360 ( 0.588 -1.237 -1.416) 1.970 17.408 ( 0.760 -2.888 -1.463) 3.325 17.567 ( 0.238 1.519 -0.655) 1.671 17.622 ( 0.861 -1.080 1.355) 1.935 17.975 ( 0.333 -0.046 -0.768) 0.838 18.042 ( -0.536 -2.697 -2.276) 3.569 18.079 ( 0.177 -0.094 0.929) 0.951 18.138 ( -0.826 -3.211 0.768) 3.403 18.354 ( 1.218 3.824 1.031) 4.143 18.425 ( -0.849 1.346 -1.721) 2.344 18.554 ( 1.055 2.191 1.495) 2.854 18.600 ( 0.075 0.347 0.879) 0.948 19.108 ( 0.648 4.392 0.033) 4.439 19.233 ( 1.579 3.042 -2.024) 3.981 19.320 ( -1.869 -4.828 3.795) 6.419 19.413 ( -2.667 -4.053 -1.446) 5.063 28.348 ( -1.037 2.605 1.356) 3.114 28.375 ( -0.973 0.873 1.657) 2.110 28.508 ( 0.402 2.879 -2.750) 4.002 28.643 ( 0.019 -1.215 -0.380) 1.273 28.884 ( -0.431 1.039 -0.543) 1.250 28.938 ( -1.761 -2.150 2.764) 3.919 29.039 ( 1.262 1.727 -1.387) 2.549 29.099 ( 0.970 -3.387 0.468) 3.554 29.445 ( 0.708 4.731 -1.145) 4.919 29.533 ( -0.280 2.079 1.321) 2.479 29.596 ( 0.538 -2.090 -0.987) 2.373 29.654 ( -1.543 -1.838 -2.326) 3.342 29.766 ( -0.482 1.460 1.445) 2.110 29.828 ( 0.629 -0.250 -1.013) 1.219 29.874 ( -0.599 1.003 0.405) 1.236 29.915 ( 0.208 -0.713 0.778) 1.075 30.192 ( -0.068 2.045 0.730) 2.173 30.208 ( -0.754 1.540 0.599) 1.816 30.268 ( -0.135 3.390 0.868) 3.502 30.335 ( 3.064 2.405 -0.389) 3.914 30.424 ( 3.345 0.656 1.445) 3.702 30.558 ( 0.256 3.335 2.066) 3.931 30.657 ( 1.198 -0.478 -1.496) 1.975 30.759 ( -1.378 -3.573 1.777) 4.221 30.788 ( 4.293 -0.437 -0.289) 4.325 30.883 ( -1.440 -1.972 1.744) 3.001 31.085 ( 0.788 2.310 1.723) 2.988 31.130 ( -3.670 5.557 -1.308) 6.787 31.293 ( -1.641 -1.247 -2.195) 3.011 31.309 ( 0.354 -3.335 -3.620) 4.935 31.452 ( 0.296 5.564 0.187) 5.575 31.559 ( 1.863 4.639 -2.280) 5.494 31.627 ( 0.272 -1.673 -0.376) 1.736 31.728 ( -2.976 5.019 1.113) 5.940 31.772 ( 3.530 -1.505 -3.767) 5.377 31.854 ( -0.551 2.490 -2.350) 3.468 31.990 ( -2.717 5.104 -1.432) 5.956 32.074 ( 0.984 0.499 -2.294) 2.546 32.718 ( 1.419 0.870 -1.487) 2.232 32.759 ( 0.030 -0.051 -1.617) 1.618 33.764 ( 11.266 7.470 -1.585) 13.610 34.005 ( 8.119 7.063 -1.291) 10.839 34.293 ( -0.776 -11.379 6.149) 12.957 34.540 ( 1.290 -14.870 2.937) 15.212 34.642 ( -8.510 1.997 -0.680) 8.768 34.879 ( -4.761 -7.927 1.802) 9.420 35.517 ( -4.273 -3.789 -1.425) 5.886 35.653 ( -2.434 -9.758 4.764) 11.128 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 7.465 -4.064 -3.178) 9.074 1.700 ( -3.331 -8.371 4.550) 10.093 1.987 ( 8.775 3.941 2.574) 9.958 2.022 ( 18.036 -0.649 -4.621) 18.630 2.117 ( 5.777 -5.062 -7.484) 10.725 2.238 ( -12.751 -2.605 -2.754) 13.303 2.332 ( -12.079 -6.052 4.458) 14.226 2.416 ( 3.994 6.896 4.779) 9.292 2.642 ( -3.692 -1.629 -2.498) 4.746 2.703 ( -12.616 2.357 0.296) 12.837 2.802 ( 4.742 -0.531 4.073) 6.273 2.868 ( 5.795 -7.547 2.577) 9.858 2.905 ( -5.756 -4.303 -0.283) 7.193 3.033 ( 2.155 -0.921 5.760) 6.218 3.136 ( 3.639 -2.698 -3.871) 5.959 3.173 ( -0.999 3.253 -6.375) 7.226 3.250 ( -3.039 2.031 9.789) 10.449 3.318 ( -4.888 -6.809 -0.605) 8.404 3.458 ( 1.473 3.880 -7.593) 8.654 3.535 ( -3.648 -1.308 -1.923) 4.327 3.701 ( 8.664 2.902 -0.522) 9.152 3.747 ( 2.668 -0.646 2.416) 3.656 3.755 ( 3.293 -0.099 3.939) 5.135 3.821 ( -2.306 2.168 2.456) 4.006 3.898 ( 0.845 6.048 -4.089) 7.349 3.983 ( -3.199 3.447 -4.054) 6.209 4.110 ( 7.327 2.945 5.114) 9.408 4.224 ( -0.643 2.485 1.065) 2.779 4.287 ( 1.366 0.183 0.415) 1.439 4.323 ( -5.337 -2.074 5.772) 8.130 4.434 ( -2.104 0.194 -5.386) 5.786 4.483 ( -3.060 -1.502 -0.341) 3.426 4.597 ( 1.507 5.858 0.014) 6.049 4.728 ( -0.032 5.673 1.167) 5.792 4.844 ( -5.723 3.365 -5.995) 8.945 4.957 ( -1.658 -2.206 2.346) 3.622 4.985 ( 4.608 1.355 2.498) 5.413 5.072 ( 2.523 1.033 2.939) 4.009 5.114 ( 0.569 1.461 -1.479) 2.156 5.255 ( -0.669 5.219 -1.549) 5.485 5.389 ( 3.217 -3.948 1.127) 5.216 5.437 ( -0.329 -2.353 0.022) 2.376 5.472 ( 0.693 -0.485 5.247) 5.315 5.549 ( 5.701 -5.159 1.553) 7.844 5.583 ( -2.125 -1.796 -3.075) 4.147 5.670 ( 1.445 -3.547 1.683) 4.184 5.744 ( 1.284 -1.784 4.830) 5.307 5.769 ( -2.119 1.514 -2.163) 3.386 5.811 ( -1.785 3.391 -4.510) 5.918 5.940 ( -2.335 1.127 -0.039) 2.593 5.983 ( -3.377 2.891 0.381) 4.462 6.046 ( 0.214 0.505 0.529) 0.762 6.082 ( 0.485 -1.511 -0.099) 1.590 6.137 ( -2.917 -11.513 -1.130) 11.930 6.164 ( 1.921 -0.252 0.185) 1.946 6.211 ( -1.320 -5.969 -1.949) 6.417 6.388 ( 2.685 1.426 -0.869) 3.162 6.510 ( 3.359 -3.098 2.020) 4.996 6.646 ( 0.515 2.171 -3.420) 4.084 6.672 ( 1.935 6.108 4.109) 7.612 6.742 ( -0.152 1.837 -6.180) 6.449 6.857 ( 1.619 2.427 1.524) 3.292 7.086 ( 2.398 5.731 0.478) 6.231 7.117 ( 2.731 5.209 -3.102) 6.649 7.304 ( -3.211 4.170 0.251) 5.269 7.451 ( -2.995 -0.032 2.300) 3.776 7.561 ( 4.171 -0.202 0.034) 4.176 7.653 ( -3.986 0.531 -1.447) 4.274 7.799 ( -1.355 7.524 -1.156) 7.731 7.977 ( -1.966 0.023 -3.000) 3.587 8.016 ( 1.697 -4.418 -0.164) 4.736 8.124 ( -1.497 7.310 0.075) 7.462 8.161 ( 2.841 -5.876 4.417) 7.881 8.265 ( -0.466 2.427 -0.179) 2.477 8.413 ( -0.152 -1.059 -2.723) 2.925 8.432 ( -1.134 5.290 -1.202) 5.542 8.518 ( 3.860 6.861 -3.456) 8.598 8.658 ( -2.659 -2.578 2.518) 4.479 8.721 ( 0.279 -0.925 1.267) 1.593 8.759 ( 0.094 4.099 -0.938) 4.206 8.790 ( -1.632 -6.456 -2.367) 7.067 8.887 ( -0.879 -8.400 0.535) 8.462 8.973 ( 2.453 -3.707 1.194) 4.603 9.059 ( -1.819 -0.049 1.013) 2.083 9.080 ( 2.561 -3.860 1.645) 4.915 9.140 ( -2.758 -0.095 3.015) 4.087 9.241 ( 2.879 -0.716 -1.184) 3.194 9.295 ( -2.125 -2.117 -1.300) 3.269 9.320 ( -6.957 -0.106 0.223) 6.961 9.412 ( 0.013 8.425 2.473) 8.780 9.511 ( 1.159 2.214 -0.780) 2.618 9.664 ( 0.705 0.900 4.107) 4.263 9.734 ( -2.677 -5.930 -3.406) 7.344 9.748 ( -0.328 -1.475 -4.926) 5.153 9.945 ( 2.461 5.092 0.224) 5.660 9.999 ( -2.573 -0.508 -1.617) 3.081 10.014 ( -3.688 5.283 1.101) 6.537 10.122 ( -3.674 -2.222 3.032) 5.257 10.143 ( 0.957 -4.022 -0.813) 4.214 10.333 ( -0.150 -8.870 0.922) 8.919 11.216 ( -0.054 -1.748 0.647) 1.865 11.294 ( 0.008 -1.162 -0.138) 1.170 11.299 ( -0.646 0.534 -0.627) 1.047 11.324 ( 0.046 -0.885 -0.490) 1.012 11.407 ( 1.063 0.869 0.494) 1.459 11.453 ( -0.799 -0.485 1.115) 1.455 11.680 ( 0.610 2.551 0.028) 2.623 11.731 ( 1.413 -0.241 -0.531) 1.529 11.796 ( 0.054 0.226 0.212) 0.315 11.908 ( -0.574 0.255 -0.144) 0.645 12.105 ( -0.052 -4.567 -0.842) 4.645 12.118 ( -0.181 -3.965 -1.171) 4.138 12.722 ( 0.291 0.715 -2.002) 2.145 12.732 ( -1.722 0.149 -0.593) 1.827 12.829 ( 0.973 4.283 0.548) 4.426 12.850 ( 0.131 1.280 1.493) 1.970 12.903 ( 1.298 -0.514 0.869) 1.645 12.982 ( 1.187 -0.865 1.227) 1.914 13.102 ( -1.341 1.053 -1.436) 2.229 13.187 ( 1.165 -1.396 -0.052) 1.819 13.194 ( -0.262 -2.762 0.205) 2.782 13.238 ( 1.948 -3.068 1.047) 3.782 13.314 ( -0.902 0.650 -1.810) 2.124 13.436 ( 1.881 -4.421 0.996) 4.907 13.707 ( -0.727 0.210 -1.389) 1.582 13.768 ( -1.215 -2.842 -1.692) 3.524 13.960 ( 1.615 2.215 2.131) 3.472 14.018 ( 0.321 -0.075 1.931) 1.959 15.266 ( -0.621 -0.298 -1.235) 1.414 15.315 ( -0.172 -1.645 0.168) 1.663 15.361 ( 0.194 -3.854 1.592) 4.175 15.391 ( -1.491 -4.227 -1.013) 4.595 15.834 ( 1.673 3.019 0.113) 3.454 15.837 ( 0.550 3.247 1.145) 3.487 15.902 ( -1.231 -1.174 1.060) 2.004 15.980 ( -0.088 -1.419 2.448) 2.830 16.034 ( 0.708 1.756 -1.736) 2.569 16.044 ( -0.994 1.504 -1.029) 2.076 16.319 ( 1.115 0.273 2.180) 2.464 16.414 ( -0.626 0.704 -0.643) 1.141 16.443 ( -1.268 0.095 1.669) 2.098 16.502 ( -0.602 -3.712 -1.328) 3.988 16.588 ( 0.448 0.115 0.315) 0.560 16.603 ( 0.120 -0.881 -1.863) 2.064 16.914 ( -0.438 1.174 0.297) 1.288 16.922 ( -0.879 -0.052 0.667) 1.105 16.998 ( 1.191 3.492 0.342) 3.705 17.016 ( 0.274 3.651 0.133) 3.664 17.231 ( 0.255 0.371 0.973) 1.072 17.251 ( 1.020 0.044 -2.507) 2.707 17.273 ( 0.243 0.904 -0.276) 0.976 17.355 ( 0.080 -1.437 -0.299) 1.470 17.367 ( -0.226 -3.701 2.429) 4.433 17.400 ( 0.472 -2.808 -1.356) 3.154 17.561 ( -0.044 2.252 -0.268) 2.269 17.638 ( 0.097 -1.483 0.313) 1.518 17.982 ( 0.428 -1.236 0.473) 1.391 18.004 ( -0.749 -1.845 -1.504) 2.496 18.088 ( -0.194 0.143 0.423) 0.487 18.145 ( 0.206 -2.668 0.770) 2.785 18.358 ( -0.403 2.961 -0.361) 3.010 18.378 ( -0.644 2.008 -2.455) 3.236 18.576 ( 0.481 3.289 0.529) 3.366 18.609 ( -0.134 1.662 0.370) 1.708 19.115 ( 0.244 4.289 -0.069) 4.296 19.246 ( 1.494 2.874 -0.778) 3.331 19.306 ( -1.724 -4.414 0.684) 4.788 19.389 ( -0.645 -3.691 0.684) 3.809 28.344 ( -0.428 1.977 0.320) 2.048 28.385 ( -0.389 0.007 1.636) 1.682 28.473 ( -0.160 4.981 -2.571) 5.608 28.636 ( -0.039 -0.156 -0.278) 0.322 28.882 ( -0.202 -0.266 0.731) 0.803 28.958 ( 0.117 -4.941 1.636) 5.206 29.035 ( 0.211 2.650 -0.885) 2.802 29.113 ( 0.090 -3.634 0.450) 3.663 29.452 ( 1.025 4.640 -0.797) 4.818 29.540 ( 0.255 1.554 0.069) 1.576 29.590 ( -0.742 -3.434 -0.151) 3.516 29.612 ( -0.386 -1.395 -0.933) 1.722 29.771 ( -0.292 0.260 0.730) 0.828 29.810 ( -0.647 -1.399 -0.833) 1.752 29.879 ( 0.294 2.137 0.193) 2.166 29.939 ( 0.826 0.808 0.746) 1.375 30.196 ( 0.382 0.038 -0.263) 0.465 30.205 ( -1.346 -0.163 1.055) 1.718 30.288 ( 0.862 5.196 1.250) 5.413 30.346 ( -0.134 2.191 -0.621) 2.282 30.486 ( 2.298 5.078 -0.200) 5.577 30.600 ( 1.540 0.917 0.411) 1.839 30.673 ( 3.197 -0.005 -1.721) 3.631 30.734 ( -4.181 -0.441 3.036) 5.186 30.884 ( 3.966 -0.104 3.022) 4.987 30.910 ( 0.868 -0.209 1.148) 1.455 31.022 ( -2.959 5.428 -2.755) 6.769 31.147 ( 2.560 1.515 0.964) 3.127 31.201 ( -2.793 -0.770 -1.874) 3.451 31.295 ( -1.280 0.308 -3.057) 3.328 31.419 ( -2.436 1.279 0.053) 2.752 31.535 ( -2.696 -0.945 1.245) 3.116 31.645 ( 4.766 2.990 -2.682) 6.233 31.729 ( -0.583 1.764 1.173) 2.197 31.784 ( 2.363 6.606 -1.550) 7.185 31.823 ( -0.272 7.743 -1.757) 7.945 31.941 ( -2.349 4.407 0.678) 5.040 32.039 ( -0.804 -1.020 -2.049) 2.426 32.716 ( 0.302 -0.086 -0.983) 1.031 32.750 ( 0.204 -1.501 -0.364) 1.558 33.995 ( 13.563 1.756 0.967) 13.711 34.137 ( 6.344 2.305 1.484) 6.911 34.310 ( -10.600 -2.244 1.668) 10.963 34.515 ( 1.410 -10.066 6.519) 12.075 34.614 ( 1.840 -9.876 -1.194) 10.116 34.732 ( -8.780 -12.425 -5.005) 16.016 35.442 ( -1.354 1.997 -1.314) 2.748 35.659 ( -1.560 -8.841 2.044) 9.208 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.000 -29.590 0.000) 29.590 1.480 ( 0.000 29.590 0.000) 29.590 1.639 ( 0.000 -26.980 0.000) 26.980 1.639 ( 0.000 26.980 0.000) 26.980 2.410 ( 0.000 -4.096 0.000) 4.096 2.410 ( 0.000 4.096 0.000) 4.096 2.585 ( 0.000 -5.567 0.000) 5.567 2.585 ( 0.000 5.567 0.000) 5.567 2.775 ( 0.000 -2.993 0.000) 2.993 2.775 ( 0.000 2.993 0.000) 2.993 2.915 ( 0.000 -3.189 0.000) 3.189 2.915 ( 0.000 3.189 0.000) 3.189 3.029 ( 0.000 -6.073 0.000) 6.073 3.029 ( 0.000 6.073 0.000) 6.073 3.124 ( 0.000 -10.675 0.000) 10.675 3.124 ( 0.000 10.675 0.000) 10.675 3.251 ( 0.000 -1.794 0.000) 1.794 3.251 ( 0.000 1.794 0.000) 1.794 3.434 ( 0.000 -2.469 0.000) 2.469 3.434 ( 0.000 2.469 0.000) 2.469 3.646 ( 0.000 -4.746 0.000) 4.746 3.646 ( 0.000 4.746 0.000) 4.746 3.761 ( 0.000 -0.376 0.000) 0.376 3.761 ( 0.000 0.376 0.000) 0.376 4.053 ( 0.000 -3.522 0.000) 3.522 4.053 ( 0.000 3.522 0.000) 3.522 4.144 ( 0.000 -1.128 0.000) 1.128 4.144 ( 0.000 1.128 0.000) 1.128 4.264 ( 0.000 -0.870 0.000) 0.870 4.264 ( 0.000 0.870 0.000) 0.870 4.531 ( 0.000 -1.933 0.000) 1.933 4.531 ( 0.000 1.933 0.000) 1.933 4.648 ( 0.000 -1.476 0.000) 1.476 4.648 ( 0.000 1.476 0.000) 1.476 4.883 ( 0.000 -0.867 0.000) 0.867 4.883 ( 0.000 0.867 0.000) 0.867 5.052 ( 0.000 -6.367 0.000) 6.367 5.052 ( 0.000 6.367 0.000) 6.367 5.216 ( 0.000 -2.103 0.000) 2.103 5.216 ( 0.000 2.103 0.000) 2.103 5.240 ( 0.000 -1.207 0.000) 1.207 5.240 ( 0.000 1.207 0.000) 1.207 5.450 ( 0.000 -1.224 0.000) 1.224 5.450 ( 0.000 1.224 0.000) 1.224 5.538 ( 0.000 -0.342 0.000) 0.342 5.538 ( 0.000 0.342 0.000) 0.342 5.615 ( 0.000 -0.591 0.000) 0.591 5.615 ( 0.000 0.591 0.000) 0.591 5.832 ( 0.000 -1.113 0.000) 1.113 5.832 ( 0.000 1.113 0.000) 1.113 5.951 ( 0.000 -2.180 0.000) 2.180 5.951 ( 0.000 2.180 0.000) 2.180 6.113 ( 0.000 -2.814 0.000) 2.814 6.113 ( 0.000 2.814 0.000) 2.814 6.239 ( 0.000 -2.122 0.000) 2.122 6.239 ( 0.000 2.122 0.000) 2.122 6.479 ( 0.000 -2.620 0.000) 2.620 6.479 ( 0.000 2.620 0.000) 2.620 6.645 ( 0.000 -0.499 0.000) 0.499 6.645 ( 0.000 0.499 0.000) 0.499 6.964 ( 0.000 -5.149 0.000) 5.149 6.964 ( 0.000 5.149 0.000) 5.149 7.119 ( 0.000 -2.046 0.000) 2.046 7.119 ( 0.000 2.046 0.000) 2.046 7.188 ( 0.000 -6.150 0.000) 6.150 7.188 ( 0.000 6.150 0.000) 6.150 7.629 ( 0.000 -2.386 0.000) 2.386 7.629 ( 0.000 2.386 0.000) 2.386 7.922 ( 0.000 -5.032 0.000) 5.032 7.922 ( 0.000 5.032 0.000) 5.032 8.038 ( 0.000 -4.390 0.000) 4.390 8.038 ( 0.000 4.390 0.000) 4.390 8.339 ( 0.000 -6.125 0.000) 6.125 8.339 ( 0.000 6.125 0.000) 6.125 8.440 ( 0.000 -1.287 0.000) 1.287 8.440 ( 0.000 1.287 0.000) 1.287 8.563 ( 0.000 -0.305 0.000) 0.305 8.563 ( 0.000 0.305 0.000) 0.305 8.707 ( 0.000 -0.393 0.000) 0.393 8.707 ( 0.000 0.393 0.000) 0.393 8.788 ( 0.000 -0.982 0.000) 0.982 8.788 ( 0.000 0.982 0.000) 0.982 8.832 ( 0.000 -7.433 0.000) 7.433 8.832 ( 0.000 7.433 0.000) 7.433 9.228 ( 0.000 -1.496 0.000) 1.496 9.228 ( 0.000 1.496 0.000) 1.496 9.371 ( 0.000 -2.102 0.000) 2.102 9.371 ( 0.000 2.102 0.000) 2.102 9.610 ( 0.000 -3.292 0.000) 3.292 9.610 ( 0.000 3.292 0.000) 3.292 9.685 ( 0.000 -7.695 0.000) 7.695 9.685 ( 0.000 7.695 0.000) 7.695 9.709 ( 0.000 -9.344 0.000) 9.344 9.709 ( 0.000 9.344 0.000) 9.344 9.804 ( 0.000 -3.955 0.000) 3.955 9.804 ( 0.000 3.955 0.000) 3.955 10.290 ( 0.000 -3.181 0.000) 3.181 10.290 ( 0.000 3.181 0.000) 3.181 10.434 ( 0.000 -12.452 0.000) 12.452 10.434 ( 0.000 12.452 0.000) 12.452 11.259 ( 0.000 -7.780 0.000) 7.780 11.259 ( 0.000 7.780 0.000) 7.780 11.313 ( 0.000 -2.229 0.000) 2.229 11.313 ( 0.000 2.229 0.000) 2.229 11.387 ( 0.000 -1.463 0.000) 1.463 11.387 ( 0.000 1.463 0.000) 1.463 11.619 ( 0.000 -0.283 0.000) 0.283 11.619 ( 0.000 0.283 0.000) 0.283 11.919 ( 0.000 -6.558 0.000) 6.558 11.919 ( 0.000 6.558 0.000) 6.558 12.132 ( 0.000 -3.432 0.000) 3.432 12.132 ( 0.000 3.432 0.000) 3.432 12.717 ( 0.000 -1.856 0.000) 1.856 12.717 ( 0.000 1.856 0.000) 1.856 12.839 ( 0.000 -2.577 0.000) 2.577 12.839 ( 0.000 2.577 0.000) 2.577 12.974 ( 0.000 -1.407 0.000) 1.407 12.974 ( 0.000 1.407 0.000) 1.407 13.091 ( 0.000 -3.476 0.000) 3.476 13.091 ( 0.000 3.476 0.000) 3.476 13.204 ( 0.000 -2.994 0.000) 2.994 13.204 ( 0.000 2.994 0.000) 2.994 13.335 ( 0.000 -2.857 0.000) 2.857 13.335 ( 0.000 2.857 0.000) 2.857 13.702 ( 0.000 -2.643 0.000) 2.643 13.702 ( 0.000 2.643 0.000) 2.643 14.007 ( 0.000 -3.274 0.000) 3.274 14.007 ( 0.000 3.274 0.000) 3.274 15.327 ( 0.000 -0.422 0.000) 0.422 15.327 ( 0.000 0.422 0.000) 0.422 15.530 ( 0.000 -2.120 0.000) 2.120 15.530 ( 0.000 2.120 0.000) 2.120 15.769 ( 0.000 -2.650 0.000) 2.650 15.769 ( 0.000 2.650 0.000) 2.650 15.875 ( 0.000 -2.217 0.000) 2.217 15.875 ( 0.000 2.217 0.000) 2.217 16.005 ( 0.000 -0.664 0.000) 0.664 16.005 ( 0.000 0.664 0.000) 0.664 16.435 ( 0.000 -0.335 0.000) 0.335 16.435 ( 0.000 0.335 0.000) 0.335 16.458 ( 0.000 -0.854 0.000) 0.854 16.458 ( 0.000 0.854 0.000) 0.854 16.662 ( 0.000 -1.722 0.000) 1.722 16.662 ( 0.000 1.722 0.000) 1.722 16.922 ( 0.000 -0.155 0.000) 0.155 16.922 ( 0.000 0.155 0.000) 0.155 16.973 ( 0.000 -2.190 0.000) 2.190 16.973 ( 0.000 2.190 0.000) 2.190 17.246 ( 0.000 -0.213 0.000) 0.213 17.246 ( 0.000 0.213 0.000) 0.213 17.261 ( 0.000 -0.590 0.000) 0.590 17.261 ( 0.000 0.590 0.000) 0.590 17.388 ( 0.000 -3.374 0.000) 3.374 17.388 ( 0.000 3.374 0.000) 3.374 17.562 ( 0.000 -0.598 0.000) 0.598 17.562 ( 0.000 0.598 0.000) 0.598 18.009 ( 0.000 -1.263 0.000) 1.263 18.009 ( 0.000 1.263 0.000) 1.263 18.098 ( 0.000 -0.221 0.000) 0.221 18.098 ( 0.000 0.221 0.000) 0.221 18.324 ( 0.000 -0.301 0.000) 0.301 18.324 ( 0.000 0.301 0.000) 0.301 18.553 ( 0.000 -0.086 0.000) 0.086 18.553 ( 0.000 0.086 0.000) 0.086 19.162 ( 0.000 -4.191 0.000) 4.191 19.162 ( 0.000 4.191 0.000) 4.191 19.405 ( 0.000 -7.258 0.000) 7.258 19.405 ( 0.000 7.258 0.000) 7.258 28.386 ( 0.000 -0.140 0.000) 0.140 28.386 ( 0.000 0.140 0.000) 0.140 28.565 ( 0.000 -4.102 0.000) 4.102 28.565 ( 0.000 4.102 0.000) 4.102 28.959 ( 0.000 -2.638 0.000) 2.638 28.959 ( 0.000 2.638 0.000) 2.638 29.015 ( 0.000 -0.256 0.000) 0.256 29.015 ( 0.000 0.256 0.000) 0.256 29.485 ( 0.000 -0.675 0.000) 0.675 29.485 ( 0.000 0.675 0.000) 0.675 29.663 ( 0.000 -1.121 0.000) 1.121 29.663 ( 0.000 1.121 0.000) 1.121 29.819 ( 0.000 -1.104 0.000) 1.104 29.819 ( 0.000 1.104 0.000) 1.104 29.889 ( 0.000 -2.342 0.000) 2.342 29.889 ( 0.000 2.342 0.000) 2.342 30.243 ( 0.000 -0.118 0.000) 0.118 30.243 ( 0.000 0.118 0.000) 0.118 30.264 ( 0.000 -0.394 0.000) 0.394 30.264 ( 0.000 0.394 0.000) 0.394 30.465 ( 0.000 -12.953 0.000) 12.953 30.465 ( 0.000 12.953 0.000) 12.953 30.668 ( 0.000 -0.459 0.000) 0.459 30.668 ( 0.000 0.459 0.000) 0.459 30.888 ( 0.000 -8.182 0.000) 8.182 30.888 ( 0.000 8.182 0.000) 8.182 31.089 ( 0.000 -1.364 0.000) 1.364 31.089 ( 0.000 1.364 0.000) 1.364 31.399 ( 0.000 -3.084 0.000) 3.084 31.399 ( 0.000 3.084 0.000) 3.084 31.486 ( 0.000 -0.772 0.000) 0.772 31.486 ( 0.000 0.772 0.000) 0.772 31.555 ( 0.000 -1.826 0.000) 1.826 31.555 ( 0.000 1.826 0.000) 1.826 31.864 ( 0.000 -4.436 0.000) 4.436 31.864 ( 0.000 4.436 0.000) 4.436 32.072 ( 0.000 -1.443 0.000) 1.443 32.072 ( 0.000 1.443 0.000) 1.443 32.774 ( 0.000 -1.823 0.000) 1.823 32.774 ( 0.000 1.823 0.000) 1.823 34.014 ( 0.000 -18.151 0.000) 18.151 34.014 ( 0.000 18.151 0.000) 18.151 34.259 ( 0.000 -2.809 0.000) 2.809 34.259 ( 0.000 2.809 0.000) 2.809 34.754 ( 0.000 -3.116 0.000) 3.116 34.754 ( 0.000 3.116 0.000) 3.116 35.507 ( 0.000 -10.548 0.000) 10.548 35.507 ( 0.000 10.548 0.000) 10.548 ======================= Grid point 23 (14/60) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 4.157 -22.853 2.047) 23.318 1.545 ( 4.157 22.853 2.047) 23.318 1.768 ( 8.759 -21.246 4.565) 23.430 1.768 ( 8.759 21.246 4.565) 23.430 2.283 ( -3.772 -4.112 -6.020) 8.209 2.283 ( -3.772 4.112 -6.020) 8.209 2.528 ( -2.510 -13.351 2.293) 13.777 2.528 ( -2.510 13.351 2.293) 13.777 2.714 ( -10.856 -9.654 -9.420) 17.315 2.714 ( -10.856 9.654 -9.420) 17.315 2.838 ( 2.641 -3.093 -7.259) 8.321 2.838 ( 2.641 3.093 -7.259) 8.321 3.092 ( -2.124 -4.834 5.497) 7.622 3.092 ( -2.124 4.834 5.497) 7.622 3.165 ( 0.714 -2.308 2.879) 3.759 3.165 ( 0.714 2.308 2.879) 3.759 3.333 ( -8.502 -11.806 5.437) 15.532 3.333 ( -8.502 11.806 5.437) 15.532 3.385 ( 10.352 -4.017 4.054) 11.821 3.385 ( 10.352 4.017 4.054) 11.821 3.655 ( 3.809 -1.250 -1.814) 4.400 3.655 ( 3.809 1.250 -1.814) 4.400 3.706 ( -7.289 -2.478 4.068) 8.708 3.706 ( -7.289 2.478 4.068) 8.708 3.930 ( 1.517 -2.783 -11.335) 11.770 3.930 ( 1.517 2.783 -11.335) 11.770 4.214 ( -6.500 -2.497 2.824) 7.514 4.214 ( -6.500 2.497 2.824) 7.514 4.349 ( 9.420 -5.700 3.340) 11.505 4.349 ( 9.420 5.700 3.340) 11.505 4.560 ( -2.119 -3.287 1.574) 4.215 4.560 ( -2.119 3.287 1.574) 4.215 4.727 ( 5.370 -2.726 -0.186) 6.025 4.727 ( 5.370 2.726 -0.186) 6.025 4.843 ( -3.091 -3.310 -0.818) 4.602 4.843 ( -3.091 3.310 -0.818) 4.602 4.947 ( -2.300 -1.063 -0.020) 2.534 4.947 ( -2.300 1.063 -0.020) 2.534 5.129 ( -1.774 -1.000 -3.604) 4.139 5.129 ( -1.774 1.000 -3.604) 4.139 5.355 ( 1.524 -2.961 2.068) 3.920 5.355 ( 1.524 2.961 2.068) 3.920 5.457 ( -0.270 -4.238 4.759) 6.378 5.457 ( -0.270 4.238 4.759) 6.378 5.564 ( 0.832 -4.305 -1.642) 4.682 5.564 ( 0.832 4.305 -1.642) 4.682 5.684 ( 5.277 -1.239 3.701) 6.564 5.684 ( 5.277 1.239 3.701) 6.564 5.839 ( 0.746 -2.767 3.973) 4.899 5.839 ( 0.746 2.767 3.973) 4.899 6.015 ( 1.963 -5.288 1.515) 5.841 6.015 ( 1.963 5.288 1.515) 5.841 6.092 ( -1.596 -3.435 1.046) 3.929 6.092 ( -1.596 3.435 1.046) 3.929 6.246 ( 2.880 -4.597 -2.421) 5.940 6.246 ( 2.880 4.597 -2.421) 5.940 6.428 ( -2.669 -3.277 -4.736) 6.348 6.428 ( -2.669 3.277 -4.736) 6.348 6.661 ( 3.316 -5.218 -1.696) 6.411 6.661 ( 3.316 5.218 -1.696) 6.411 6.885 ( -1.157 -5.338 -8.151) 9.812 6.885 ( -1.157 5.338 -8.151) 9.812 7.094 ( 0.953 -3.361 -3.076) 4.654 7.094 ( 0.953 3.361 -3.076) 4.654 7.284 ( 3.837 -7.427 5.631) 10.079 7.284 ( 3.837 7.427 5.631) 10.079 7.648 ( -0.022 -2.633 0.373) 2.659 7.648 ( -0.022 2.633 0.373) 2.659 7.882 ( -0.214 -3.822 -5.318) 6.552 7.882 ( -0.214 3.822 -5.318) 6.552 7.993 ( -0.303 -7.213 0.713) 7.255 7.993 ( -0.303 7.213 0.713) 7.255 8.346 ( -3.200 -4.707 -0.460) 5.710 8.346 ( -3.200 4.707 -0.460) 5.710 8.447 ( 0.447 -8.044 4.532) 9.244 8.447 ( 0.447 8.044 4.532) 9.244 8.576 ( -1.017 -6.957 0.634) 7.059 8.576 ( -1.017 6.957 0.634) 7.059 8.663 ( 0.851 -2.547 -1.791) 3.228 8.663 ( 0.851 2.547 -1.791) 3.228 8.793 ( 2.116 -4.524 -0.779) 5.054 8.793 ( 2.116 4.524 -0.779) 5.054 8.986 ( 5.288 -2.791 7.034) 9.232 8.986 ( 5.288 2.791 7.034) 9.232 9.190 ( -2.608 -4.998 -3.461) 6.615 9.190 ( -2.608 4.998 -3.461) 6.615 9.371 ( -1.938 -5.156 2.893) 6.222 9.371 ( -1.938 5.156 2.893) 6.222 9.552 ( -4.892 -3.984 1.532) 6.492 9.552 ( -4.892 3.984 1.532) 6.492 9.625 ( -5.822 -4.560 -0.677) 7.426 9.625 ( -5.822 4.560 -0.677) 7.426 9.755 ( 2.087 -1.312 0.140) 2.469 9.755 ( 2.087 1.312 0.140) 2.469 9.837 ( 3.514 -6.645 0.737) 7.553 9.837 ( 3.514 6.645 0.737) 7.553 10.221 ( -4.008 -0.664 -3.250) 5.203 10.221 ( -4.008 0.664 -3.250) 5.203 10.384 ( -6.402 -9.162 0.186) 11.179 10.384 ( -6.402 9.162 0.186) 11.179 11.247 ( -0.650 -5.964 -0.488) 6.019 11.247 ( -0.650 5.964 -0.488) 6.019 11.331 ( 1.129 -0.970 0.546) 1.586 11.331 ( 1.129 0.970 0.546) 1.586 11.382 ( -0.681 -0.770 0.759) 1.278 11.382 ( -0.681 0.770 0.759) 1.278 11.646 ( 2.950 -0.650 -0.369) 3.043 11.646 ( 2.950 0.650 -0.369) 3.043 11.906 ( -1.469 -6.567 0.016) 6.730 11.906 ( -1.469 6.567 0.016) 6.730 12.120 ( -0.072 -2.447 -1.693) 2.976 12.120 ( -0.072 2.447 -1.693) 2.976 12.729 ( 0.546 -1.375 1.657) 2.221 12.729 ( 0.546 1.375 1.657) 2.221 12.851 ( 1.423 -2.834 -0.216) 3.179 12.851 ( 1.423 2.834 -0.216) 3.179 12.943 ( -2.154 -1.175 -2.957) 3.843 12.943 ( -2.154 1.175 -2.957) 3.843 13.105 ( 1.370 -1.717 0.226) 2.208 13.105 ( 1.370 1.717 0.226) 2.208 13.175 ( -0.866 -1.111 -0.836) 1.638 13.175 ( -0.866 1.111 -0.836) 1.638 13.335 ( 0.832 -2.308 -1.118) 2.696 13.335 ( 0.832 2.308 -1.118) 2.696 13.745 ( 2.367 -2.283 2.340) 4.036 13.745 ( 2.367 2.283 2.340) 4.036 13.969 ( -2.477 -3.214 -1.650) 4.380 13.969 ( -2.477 3.214 -1.650) 4.380 15.322 ( -0.829 -0.534 0.312) 1.034 15.322 ( -0.829 0.534 0.312) 1.034 15.461 ( -3.713 -2.179 -3.744) 5.706 15.461 ( -3.713 2.179 -3.744) 5.706 15.797 ( 0.177 -2.073 3.037) 3.681 15.797 ( 0.177 2.073 3.037) 3.681 15.882 ( 0.687 -2.579 0.587) 2.733 15.882 ( 0.687 2.579 0.587) 2.733 16.032 ( 2.032 -1.890 0.851) 2.903 16.032 ( 2.032 1.890 0.851) 2.903 16.370 ( -4.406 -2.233 0.137) 4.942 16.370 ( -4.406 2.233 0.137) 4.942 16.500 ( 1.124 -0.938 1.811) 2.329 16.500 ( 1.124 0.938 1.811) 2.329 16.633 ( -0.396 -1.668 -3.363) 3.775 16.633 ( -0.396 1.668 -3.363) 3.775 16.924 ( -0.163 -0.697 0.787) 1.064 16.924 ( -0.163 0.697 0.787) 1.064 16.993 ( 0.936 -1.795 0.908) 2.219 16.993 ( 0.936 1.795 0.908) 2.219 17.224 ( 0.824 -1.010 -2.617) 2.923 17.224 ( 0.824 1.010 -2.617) 2.923 17.294 ( 0.449 -1.990 2.403) 3.152 17.294 ( 0.449 1.990 2.403) 3.152 17.376 ( -0.017 -2.424 -1.711) 2.967 17.376 ( -0.017 2.424 -1.711) 2.967 17.575 ( 0.993 -0.432 0.567) 1.222 17.575 ( 0.993 0.432 0.567) 1.222 18.009 ( -0.407 -1.833 -0.118) 1.882 18.009 ( -0.407 1.833 -0.118) 1.882 18.098 ( -0.210 -1.224 0.025) 1.242 18.098 ( -0.210 1.224 0.025) 1.242 18.366 ( 2.174 -2.742 3.029) 4.628 18.366 ( 2.174 2.742 3.029) 4.628 18.565 ( 1.124 -1.836 0.095) 2.154 18.565 ( 1.124 1.836 0.095) 2.154 19.175 ( 0.933 -4.459 0.687) 4.607 19.175 ( 0.933 4.459 0.687) 4.607 19.378 ( -2.061 -6.298 -1.127) 6.722 19.378 ( -2.061 6.298 -1.127) 6.722 28.383 ( -1.252 -0.486 1.572) 2.068 28.383 ( -1.252 0.486 1.572) 2.068 28.572 ( 0.329 -4.049 0.468) 4.089 28.572 ( 0.329 4.049 0.468) 4.089 28.942 ( -1.250 -2.103 -1.365) 2.801 28.942 ( -1.250 2.103 -1.365) 2.801 29.032 ( 2.361 -0.607 -0.539) 2.496 29.032 ( 2.361 0.607 -0.539) 2.496 29.498 ( 0.755 -1.836 0.774) 2.131 29.498 ( 0.755 1.836 0.774) 2.131 29.649 ( -1.838 -2.742 -0.143) 3.304 29.649 ( -1.838 2.742 -0.143) 3.304 29.818 ( 0.736 -1.050 -1.080) 1.677 29.818 ( 0.736 1.050 -1.080) 1.677 29.889 ( -0.555 -1.892 0.511) 2.037 29.889 ( -0.555 1.892 0.511) 2.037 30.231 ( -0.705 -0.943 -0.492) 1.276 30.231 ( -0.705 0.943 -0.492) 1.276 30.282 ( 1.396 -1.139 1.158) 2.142 30.282 ( 1.396 1.139 1.158) 2.142 30.479 ( 2.042 -11.440 -0.123) 11.621 30.479 ( 2.042 11.440 -0.123) 11.621 30.667 ( 0.287 -1.131 -0.458) 1.253 30.667 ( 0.287 1.131 -0.458) 1.253 30.843 ( -2.822 -6.230 -0.815) 6.888 30.843 ( -2.822 6.230 -0.815) 6.888 31.102 ( 0.263 -3.001 2.586) 3.970 31.102 ( 0.263 3.001 2.586) 3.970 31.377 ( -1.750 -2.865 -3.304) 4.710 31.377 ( -1.750 2.865 -3.304) 4.710 31.524 ( 1.697 -3.736 0.388) 4.122 31.524 ( 1.697 3.736 0.388) 4.122 31.600 ( 7.582 -4.845 -1.619) 9.142 31.600 ( 7.582 4.845 -1.619) 9.142 31.853 ( -1.350 -3.432 0.291) 3.699 31.853 ( -1.350 3.432 0.291) 3.699 32.076 ( 0.346 -0.852 -0.560) 1.077 32.076 ( 0.346 0.852 -0.560) 1.077 32.766 ( -0.113 -1.605 -1.227) 2.023 32.766 ( -0.113 1.605 -1.227) 2.023 33.992 ( -1.728 -14.741 -3.006) 15.143 33.992 ( -1.728 14.741 -3.006) 15.143 34.210 ( 1.060 -9.139 -1.771) 9.369 34.210 ( 1.060 9.139 -1.771) 9.369 34.791 ( -3.357 -1.951 6.315) 7.413 34.791 ( -3.357 1.951 6.315) 7.413 35.513 ( -0.505 -6.408 1.464) 6.593 35.513 ( -0.505 6.408 1.464) 6.593 ======================= Grid point 25 (15/60) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 2.481 -7.533 0.617) 7.955 1.627 ( 2.481 7.533 0.617) 7.955 1.872 ( 8.152 -5.402 -5.679) 11.309 1.872 ( 8.152 5.402 -5.679) 11.309 2.247 ( -9.213 -14.510 -5.453) 18.032 2.247 ( -9.213 14.510 -5.453) 18.032 2.443 ( 6.748 -12.625 0.703) 14.333 2.443 ( 6.748 12.625 0.703) 14.333 2.625 ( -0.353 -5.149 6.566) 8.352 2.625 ( -0.353 5.149 6.566) 8.352 2.795 ( -2.569 -0.340 -1.693) 3.095 2.795 ( -2.569 0.340 -1.693) 3.095 2.958 ( -9.507 -6.697 0.796) 11.656 2.958 ( -9.507 6.697 0.796) 11.656 3.177 ( 0.166 -3.859 -5.044) 6.353 3.177 ( 0.166 3.859 -5.044) 6.353 3.344 ( -1.218 -13.481 7.200) 15.331 3.344 ( -1.218 13.481 7.200) 15.331 3.542 ( -2.677 -8.287 1.363) 8.814 3.542 ( -2.677 8.287 1.363) 8.814 3.662 ( 4.340 -3.038 2.353) 5.797 3.662 ( 4.340 3.038 2.353) 5.797 3.740 ( -3.189 -6.423 3.156) 7.835 3.740 ( -3.189 6.423 3.156) 7.835 3.916 ( 12.946 -5.137 -6.141) 15.222 3.916 ( 12.946 5.137 -6.141) 15.222 4.146 ( -5.676 -5.938 5.854) 10.086 4.146 ( -5.676 5.938 5.854) 10.086 4.401 ( -6.089 -3.888 0.639) 7.253 4.401 ( -6.089 3.888 0.639) 7.253 4.507 ( 0.352 -5.573 -6.030) 8.219 4.507 ( 0.352 5.573 -6.030) 8.219 4.724 ( -2.693 -6.862 -1.679) 7.560 4.724 ( -2.693 6.862 -1.679) 7.560 4.831 ( 6.063 -5.925 4.573) 9.632 4.831 ( 6.063 5.925 4.573) 9.632 5.018 ( -2.103 -0.541 -0.286) 2.190 5.018 ( -2.103 0.541 -0.286) 2.190 5.140 ( 7.014 -5.886 1.916) 9.355 5.140 ( 7.014 5.886 1.916) 9.355 5.342 ( -1.890 -5.281 0.441) 5.627 5.342 ( -1.890 5.281 0.441) 5.627 5.532 ( 2.416 -4.606 3.748) 6.411 5.532 ( 2.416 4.606 3.748) 6.411 5.564 ( -0.428 -5.131 0.126) 5.150 5.564 ( -0.428 5.131 0.126) 5.150 5.746 ( 0.453 -6.775 -0.379) 6.801 5.746 ( 0.453 6.775 -0.379) 6.801 5.950 ( 1.059 -3.205 4.560) 5.674 5.950 ( 1.059 3.205 4.560) 5.674 6.015 ( -2.548 -0.565 3.417) 4.300 6.015 ( -2.548 0.565 3.417) 4.300 6.076 ( -0.910 -3.859 0.593) 4.009 6.076 ( -0.910 3.859 0.593) 4.009 6.228 ( -1.168 -7.254 -12.407) 14.420 6.228 ( -1.168 7.254 -12.407) 14.420 6.361 ( 3.974 -1.199 0.164) 4.155 6.361 ( 3.974 1.199 0.164) 4.155 6.709 ( 2.416 -4.615 -0.141) 5.211 6.709 ( 2.416 4.615 -0.141) 5.211 6.803 ( 2.417 -1.989 -6.406) 7.130 6.803 ( 2.417 1.989 -6.406) 7.130 7.101 ( 3.414 -1.691 -1.341) 4.039 7.101 ( 3.414 1.691 -1.341) 4.039 7.385 ( 0.875 -3.637 3.698) 5.260 7.385 ( 0.875 3.637 3.698) 5.260 7.608 ( -2.000 -7.124 -1.050) 7.474 7.608 ( -2.000 7.124 -1.050) 7.474 7.877 ( 4.095 -2.873 -2.021) 5.395 7.877 ( 4.095 2.873 -2.021) 5.395 8.054 ( 2.318 -6.493 2.024) 7.185 8.054 ( 2.318 6.493 2.024) 7.185 8.257 ( -2.343 -6.513 -2.450) 7.343 8.257 ( -2.343 6.513 -2.450) 7.343 8.502 ( 0.712 -8.342 -0.464) 8.385 8.502 ( 0.712 8.342 -0.464) 8.385 8.553 ( -0.403 -7.197 0.175) 7.211 8.553 ( -0.403 7.197 0.175) 7.211 8.685 ( 0.702 -3.030 1.509) 3.457 8.685 ( 0.702 3.030 1.509) 3.457 8.838 ( 2.696 -4.732 1.180) 5.572 8.838 ( 2.696 4.732 1.180) 5.572 9.035 ( -6.455 -6.243 -1.439) 9.094 9.035 ( -6.455 6.243 -1.439) 9.094 9.102 ( -0.739 -2.778 0.043) 2.875 9.102 ( -0.739 2.778 0.043) 2.875 9.334 ( -5.918 -6.834 1.084) 9.105 9.334 ( -5.918 6.834 1.084) 9.105 9.496 ( -4.369 -3.222 -1.289) 5.579 9.496 ( -4.369 3.222 -1.289) 5.579 9.560 ( -1.548 -6.408 4.550) 8.010 9.560 ( -1.548 6.408 4.550) 8.010 9.742 ( -0.189 -1.660 -3.661) 4.024 9.742 ( -0.189 1.660 -3.661) 4.024 9.933 ( 3.535 -6.977 4.058) 8.811 9.933 ( 3.535 6.977 4.058) 8.811 10.141 ( -0.976 -4.295 -2.590) 5.110 10.141 ( -0.976 4.295 -2.590) 5.110 10.243 ( -9.580 -4.364 0.691) 10.549 10.243 ( -9.580 4.364 0.691) 10.549 11.237 ( -0.074 -4.143 -0.205) 4.148 11.237 ( -0.074 4.143 -0.205) 4.148 11.330 ( -0.803 -0.367 -0.676) 1.112 11.330 ( -0.803 0.367 -0.676) 1.112 11.404 ( 0.727 -2.090 2.099) 3.050 11.404 ( 0.727 2.090 2.099) 3.050 11.691 ( 2.901 -0.982 -0.843) 3.177 11.691 ( 2.901 0.982 -0.843) 3.177 11.875 ( -1.817 -5.789 -0.180) 6.070 11.875 ( -1.817 5.789 -0.180) 6.070 12.095 ( -0.070 -1.114 -2.106) 2.383 12.095 ( -0.070 1.114 -2.106) 2.383 12.765 ( 0.454 -0.860 0.201) 0.993 12.765 ( 0.454 0.860 0.201) 0.993 12.856 ( -0.447 -1.609 -1.170) 2.039 12.856 ( -0.447 1.609 -1.170) 2.039 12.886 ( 0.730 -3.473 0.305) 3.562 12.886 ( 0.730 3.473 0.305) 3.562 13.134 ( 1.483 -0.688 0.014) 1.635 13.134 ( 1.483 0.688 0.014) 1.635 13.179 ( 0.653 -0.341 0.477) 0.877 13.179 ( 0.653 0.341 0.477) 0.877 13.340 ( 1.407 -0.322 -0.988) 1.749 13.340 ( 1.407 0.322 -0.988) 1.749 13.773 ( -0.419 -1.448 -2.310) 2.759 13.773 ( -0.419 1.448 -2.310) 2.759 13.946 ( 0.251 -2.491 2.956) 3.874 13.946 ( 0.251 2.491 2.956) 3.874 15.305 ( -1.281 -0.574 -0.162) 1.413 15.305 ( -1.281 0.574 -0.162) 1.413 15.369 ( -2.786 -3.028 -1.600) 4.415 15.369 ( -2.786 3.028 -1.600) 4.415 15.832 ( 0.479 -0.919 2.230) 2.459 15.832 ( 0.479 0.919 2.230) 2.459 15.910 ( 0.382 -2.503 2.071) 3.271 15.910 ( 0.382 2.503 2.071) 3.271 16.065 ( 1.092 -1.363 -0.764) 1.907 16.065 ( 1.092 1.363 -0.764) 1.907 16.329 ( -1.736 -3.448 2.511) 4.605 16.329 ( -1.736 3.448 2.511) 4.605 16.512 ( -1.892 -0.656 0.627) 2.098 16.512 ( -1.892 0.656 0.627) 2.098 16.599 ( 1.596 -1.959 -3.698) 4.479 16.599 ( 1.596 1.959 -3.698) 4.479 16.928 ( -1.403 -0.365 1.888) 2.381 16.928 ( -1.403 0.365 1.888) 2.381 17.019 ( 1.907 -1.474 -0.266) 2.425 17.019 ( 1.907 1.474 -0.266) 2.425 17.222 ( 1.975 -0.184 -1.872) 2.727 17.222 ( 1.975 0.184 -1.872) 2.727 17.317 ( -0.800 -1.680 1.759) 2.561 17.317 ( -0.800 1.680 1.759) 2.561 17.358 ( 0.269 -2.048 -1.520) 2.565 17.358 ( 0.269 2.048 -1.520) 2.565 17.596 ( 0.529 -1.530 0.428) 1.675 17.596 ( 0.529 1.530 0.428) 1.675 17.994 ( -0.396 -1.988 -0.937) 2.233 17.994 ( -0.396 1.988 -0.937) 2.233 18.093 ( -0.462 -1.540 0.725) 1.763 18.093 ( -0.462 1.540 0.725) 1.763 18.418 ( 0.580 -2.226 0.019) 2.301 18.418 ( 0.580 2.226 0.019) 2.301 18.588 ( 1.231 -1.405 0.672) 1.985 18.588 ( 1.231 1.405 0.672) 1.985 19.199 ( 0.891 -4.879 0.168) 4.962 19.199 ( 0.891 4.879 0.168) 4.962 19.332 ( -1.905 -4.150 -0.105) 4.568 19.332 ( -1.905 4.150 -0.105) 4.568 28.381 ( -1.270 -0.584 1.539) 2.079 28.381 ( -1.270 0.584 1.539) 2.079 28.579 ( 0.082 -4.453 0.049) 4.454 28.579 ( 0.082 4.453 0.049) 4.454 28.904 ( -1.161 -1.233 -0.774) 1.862 28.904 ( -1.161 1.233 -0.774) 1.862 29.062 ( 1.626 -0.998 -0.615) 2.004 29.062 ( 1.626 0.998 -0.615) 2.004 29.518 ( 0.241 -3.181 0.799) 3.288 29.518 ( 0.241 3.181 0.799) 3.288 29.606 ( -1.196 -2.819 -1.808) 3.556 29.606 ( -1.196 2.819 -1.808) 3.556 29.808 ( -0.548 -2.094 -1.179) 2.465 29.808 ( -0.548 2.094 -1.179) 2.465 29.896 ( 0.882 -1.232 0.845) 1.735 29.896 ( 0.882 1.232 0.845) 1.735 30.214 ( -1.233 -0.514 0.360) 1.384 30.214 ( -1.233 0.514 0.360) 1.384 30.326 ( 1.127 -2.366 1.611) 3.076 30.326 ( 1.127 2.366 1.611) 3.076 30.534 ( 3.882 -7.511 0.409) 8.464 30.534 ( 3.882 7.511 0.409) 8.464 30.671 ( 0.532 -2.280 0.177) 2.348 30.671 ( 0.532 2.280 0.177) 2.348 30.829 ( 0.901 -3.144 1.709) 3.690 30.829 ( 0.901 3.144 1.709) 3.690 31.147 ( 1.328 -3.599 1.486) 4.114 31.147 ( 1.328 3.599 1.486) 4.114 31.275 ( -3.405 -1.627 -4.104) 5.575 31.275 ( -3.405 1.627 -4.104) 5.575 31.559 ( -0.859 -5.073 1.129) 5.267 31.559 ( -0.859 5.073 1.129) 5.267 31.665 ( 3.544 -5.722 -3.748) 7.704 31.665 ( 3.544 5.722 -3.748) 7.704 31.852 ( 2.092 -3.381 -0.209) 3.981 31.852 ( 2.092 3.381 -0.209) 3.981 32.056 ( -0.835 -2.092 -2.425) 3.309 32.056 ( -0.835 2.092 -2.425) 3.309 32.744 ( -0.424 -1.397 -1.532) 2.116 32.744 ( -0.424 1.397 -1.532) 2.116 33.962 ( 3.470 -11.486 -0.650) 12.016 33.962 ( 3.470 11.486 -0.650) 12.016 34.279 ( 3.186 -10.883 3.954) 12.009 34.279 ( 3.186 10.883 3.954) 12.009 34.728 ( -8.657 -6.856 0.286) 11.046 34.728 ( -8.657 6.856 0.286) 11.046 35.518 ( -1.274 -3.885 1.769) 4.455 35.518 ( -1.274 3.885 1.769) 4.455 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -1.667 -1.500 -0.157) 2.248 1.631 ( -1.667 1.500 -0.157) 2.248 1.982 ( 11.046 -3.251 -6.929) 13.438 1.982 ( 11.046 3.251 -6.929) 13.438 2.117 ( -0.109 -6.076 1.795) 6.337 2.117 ( -0.109 6.076 1.795) 6.337 2.442 ( -9.580 -9.695 -0.654) 13.646 2.442 ( -9.580 9.695 -0.654) 13.646 2.662 ( 0.956 -10.918 5.278) 12.165 2.662 ( 0.956 10.918 5.278) 12.165 2.789 ( -1.210 -2.813 -1.502) 3.411 2.789 ( -1.210 2.813 -1.502) 3.411 2.944 ( 3.802 -4.785 3.999) 7.304 2.944 ( 3.802 4.785 3.999) 7.304 3.089 ( -2.406 -3.911 -3.958) 6.063 3.089 ( -2.406 3.911 -3.958) 6.063 3.362 ( -1.461 -4.320 -3.567) 5.790 3.362 ( -1.461 4.320 -3.567) 5.790 3.433 ( -5.286 -5.154 1.219) 7.483 3.433 ( -5.286 5.154 1.219) 7.483 3.704 ( 1.469 -1.249 1.707) 2.575 3.704 ( 1.469 1.249 1.707) 2.575 3.833 ( 3.117 -3.483 4.250) 6.318 3.833 ( 3.117 3.483 4.250) 6.318 4.047 ( 2.094 -6.327 2.385) 7.078 4.047 ( 2.094 6.327 2.385) 7.078 4.164 ( 2.763 -7.244 0.089) 7.754 4.164 ( 2.763 7.244 0.089) 7.754 4.318 ( -3.530 -1.866 1.363) 4.219 4.318 ( -3.530 1.866 1.363) 4.219 4.424 ( -1.864 -3.510 -4.109) 5.717 4.424 ( -1.864 3.510 -4.109) 5.717 4.727 ( 3.155 -5.800 -0.248) 6.608 4.727 ( 3.155 5.800 -0.248) 6.608 4.907 ( -4.176 -3.082 -1.009) 5.287 4.907 ( -4.176 3.082 -1.009) 5.287 5.003 ( 4.012 -2.139 1.474) 4.779 5.003 ( 4.012 2.139 1.474) 4.779 5.242 ( 0.855 -7.615 0.872) 7.712 5.242 ( 0.855 7.615 0.872) 7.712 5.370 ( 3.119 -3.108 4.318) 6.167 5.370 ( 3.119 3.108 4.318) 6.167 5.524 ( -3.469 -4.012 -1.764) 5.589 5.524 ( -3.469 4.012 -1.764) 5.589 5.624 ( 3.670 -3.847 2.434) 5.847 5.624 ( 3.670 3.847 2.434) 5.847 5.738 ( -0.578 -4.549 0.097) 4.587 5.738 ( -0.578 4.549 0.097) 4.587 5.912 ( -0.628 -6.168 -5.372) 8.203 5.912 ( -0.628 6.168 -5.372) 8.203 5.971 ( -6.466 -1.204 -1.775) 6.812 5.971 ( -6.466 1.204 -1.775) 6.812 6.070 ( 0.068 -1.519 0.879) 1.757 6.070 ( 0.068 1.519 0.879) 1.757 6.140 ( 1.269 -0.556 0.080) 1.388 6.140 ( 1.269 0.556 0.080) 1.388 6.446 ( 2.938 -3.752 0.956) 4.861 6.446 ( 2.938 3.752 0.956) 4.861 6.698 ( -0.519 -2.828 -2.231) 3.639 6.698 ( -0.519 2.828 -2.231) 3.639 6.825 ( 2.836 -5.334 -0.555) 6.067 6.825 ( 2.836 5.334 -0.555) 6.067 7.163 ( 3.248 -1.293 0.225) 3.503 7.163 ( 3.248 1.293 0.225) 3.503 7.397 ( -1.824 -5.370 1.175) 5.792 7.397 ( -1.824 5.370 1.175) 5.792 7.603 ( 1.042 -4.470 0.355) 4.603 7.603 ( 1.042 4.470 0.355) 4.603 7.933 ( 4.178 -5.432 -0.669) 6.885 7.933 ( 4.178 5.432 -0.669) 6.885 8.024 ( -4.412 -5.461 -0.922) 7.080 8.024 ( -4.412 5.461 -0.922) 7.080 8.270 ( 2.247 -6.438 0.705) 6.855 8.270 ( 2.247 6.438 0.705) 6.855 8.448 ( -1.855 -8.742 -3.696) 9.671 8.448 ( -1.855 8.742 -3.696) 9.671 8.585 ( 3.373 -7.880 -0.100) 8.572 8.585 ( 3.373 7.880 -0.100) 8.572 8.707 ( -1.046 -2.491 1.698) 3.191 8.707 ( -1.046 2.491 1.698) 3.191 8.889 ( -3.227 -5.147 2.831) 6.702 8.889 ( -3.227 5.147 2.831) 6.702 8.907 ( 0.025 -4.366 -2.533) 5.047 8.907 ( 0.025 4.366 -2.533) 5.047 9.107 ( -0.013 -3.584 1.237) 3.792 9.107 ( -0.013 3.584 1.237) 3.792 9.242 ( -3.674 -1.975 -0.890) 4.265 9.242 ( -3.674 1.975 -0.890) 4.265 9.423 ( -1.720 -9.021 -1.124) 9.252 9.423 ( -1.720 9.021 -1.124) 9.252 9.592 ( -0.794 -8.554 2.568) 8.966 9.592 ( -0.794 8.554 2.568) 8.966 9.700 ( -0.207 -2.864 -1.988) 3.492 9.700 ( -0.207 2.864 -1.988) 3.492 10.019 ( 2.077 -3.990 1.648) 4.791 10.019 ( 2.077 3.990 1.648) 4.791 10.104 ( -1.966 -3.534 -1.102) 4.191 10.104 ( -1.966 3.534 -1.102) 4.191 10.136 ( -2.755 -9.969 1.020) 10.392 10.136 ( -2.755 9.969 1.020) 10.392 11.236 ( 0.051 -3.431 -0.015) 3.432 11.236 ( 0.051 3.431 -0.015) 3.432 11.311 ( -0.497 -0.628 -0.324) 0.864 11.311 ( -0.497 0.628 -0.324) 0.864 11.431 ( 0.218 -1.453 0.875) 1.710 11.431 ( 0.218 1.453 0.875) 1.710 11.719 ( 1.167 -1.404 -0.431) 1.876 11.719 ( 1.167 1.404 -0.431) 1.876 11.851 ( -0.695 -4.878 -0.143) 4.929 11.851 ( -0.695 4.878 -0.143) 4.929 12.075 ( -0.064 -0.966 -0.909) 1.328 12.075 ( -0.064 0.966 -0.909) 1.328 12.731 ( -1.059 -0.292 -1.339) 1.732 12.731 ( -1.059 0.292 -1.339) 1.732 12.875 ( 0.796 -0.900 0.219) 1.222 12.875 ( 0.796 0.900 0.219) 1.222 12.929 ( 1.792 -3.965 1.994) 4.786 12.929 ( 1.792 3.965 1.994) 4.786 13.134 ( -0.658 -2.358 -0.839) 2.587 13.134 ( -0.658 2.358 -0.839) 2.587 13.197 ( 0.839 -1.476 0.290) 1.723 13.197 ( 0.839 1.476 0.290) 1.723 13.355 ( 0.831 -3.592 -0.264) 3.697 13.355 ( 0.831 3.592 -0.264) 3.697 13.724 ( -1.030 -1.635 -1.580) 2.496 13.724 ( -1.030 1.635 -1.580) 2.496 14.000 ( 0.993 -1.707 2.003) 2.813 14.000 ( 0.993 1.707 2.003) 2.813 15.282 ( -0.656 -2.046 -0.389) 2.184 15.282 ( -0.656 2.046 -0.389) 2.184 15.333 ( -0.862 -1.744 0.057) 1.946 15.333 ( -0.862 1.744 0.057) 1.946 15.865 ( 0.819 -1.094 1.024) 1.708 15.865 ( 0.819 1.094 1.024) 1.708 15.929 ( -0.598 -3.414 1.436) 3.752 15.929 ( -0.598 3.414 1.436) 3.752 16.056 ( 0.111 -0.233 -1.392) 1.416 16.056 ( 0.111 0.233 -1.392) 1.416 16.364 ( 0.920 -3.841 3.440) 5.237 16.364 ( 0.920 3.841 3.440) 5.237 16.463 ( -2.032 -1.101 -2.238) 3.217 16.463 ( -2.032 1.101 -2.238) 3.217 16.591 ( 0.631 -0.351 -1.234) 1.430 16.591 ( 0.631 0.351 -1.234) 1.430 16.922 ( -0.913 -0.127 0.813) 1.229 16.922 ( -0.913 0.127 0.813) 1.229 17.049 ( 1.316 -0.815 0.063) 1.549 17.049 ( 1.316 0.815 0.063) 1.549 17.242 ( 2.144 -0.925 -1.029) 2.552 17.242 ( 2.144 0.925 -1.029) 2.552 17.306 ( -1.815 -2.383 0.699) 3.075 17.306 ( -1.815 2.383 0.699) 3.075 17.352 ( 0.233 -1.510 -0.341) 1.565 17.352 ( 0.233 1.510 -0.341) 1.565 17.603 ( 0.079 -2.080 0.006) 2.081 17.603 ( 0.079 2.080 0.006) 2.081 17.978 ( -0.361 -0.827 -0.449) 1.008 17.978 ( -0.361 0.827 -0.449) 1.008 18.104 ( 0.185 -1.533 0.963) 1.820 18.104 ( 0.185 1.533 0.963) 1.820 18.396 ( -0.622 -0.552 -1.668) 1.864 18.396 ( -0.622 0.552 -1.668) 1.864 18.615 ( 0.639 -0.927 0.577) 1.265 18.615 ( 0.639 0.927 0.577) 1.265 19.206 ( 0.291 -5.021 -0.270) 5.036 19.206 ( 0.291 5.021 -0.270) 5.036 19.317 ( -0.547 -3.655 0.566) 3.739 19.317 ( -0.547 3.655 0.566) 3.739 28.375 ( -0.640 -1.086 0.423) 1.330 28.375 ( -0.640 1.086 0.423) 1.330 28.579 ( 0.022 -5.327 -0.058) 5.327 28.579 ( 0.022 5.327 -0.058) 5.327 28.890 ( -0.226 -1.591 0.075) 1.609 28.890 ( -0.226 1.591 0.075) 1.609 29.072 ( 0.337 -1.502 -0.319) 1.572 29.072 ( 0.337 1.502 -0.319) 1.572 29.520 ( -0.248 -3.237 -0.025) 3.247 29.520 ( -0.248 3.237 -0.025) 3.247 29.583 ( 0.030 -1.970 -0.651) 2.075 29.583 ( 0.030 1.970 -0.651) 2.075 29.787 ( -0.429 -1.161 -0.450) 1.317 29.787 ( -0.429 1.161 -0.450) 1.317 29.924 ( 0.894 -2.141 0.512) 2.376 29.924 ( 0.894 2.141 0.512) 2.376 30.200 ( -0.658 -0.276 0.195) 0.740 30.200 ( -0.658 0.276 0.195) 0.740 30.348 ( 0.072 -1.476 0.659) 1.618 30.348 ( 0.072 1.476 0.659) 1.618 30.596 ( 2.541 -2.855 -0.033) 3.822 30.596 ( 2.541 2.855 -0.033) 3.822 30.686 ( -0.063 -2.948 1.067) 3.136 30.686 ( -0.063 2.948 1.067) 3.136 30.887 ( 1.864 -0.964 2.055) 2.937 30.887 ( 1.864 0.964 2.055) 2.937 31.133 ( -1.714 -4.142 -1.263) 4.657 31.133 ( -1.714 4.142 -1.263) 4.657 31.233 ( 1.933 -4.520 -2.361) 5.453 31.233 ( 1.933 4.520 -2.361) 5.453 31.484 ( -5.925 -4.111 1.003) 7.281 31.484 ( -5.925 4.111 1.003) 7.281 31.707 ( 3.956 -2.642 -1.561) 5.007 31.707 ( 3.956 2.642 -1.561) 5.007 31.892 ( 1.670 -1.772 0.030) 2.435 31.892 ( 1.670 1.772 0.030) 2.435 32.004 ( -1.488 -2.717 -1.715) 3.541 32.004 ( -1.488 2.717 -1.715) 3.541 32.723 ( -0.283 -1.009 -0.685) 1.252 32.723 ( -0.283 1.009 -0.685) 1.252 34.091 ( 8.340 -7.058 1.813) 11.075 34.091 ( 8.340 7.058 1.813) 11.075 34.344 ( -2.766 -7.351 4.254) 8.932 34.344 ( -2.766 7.351 4.254) 8.932 34.558 ( -5.604 -4.639 -4.030) 8.317 34.558 ( -5.604 4.639 -4.030) 8.317 35.514 ( -0.706 -5.816 0.750) 5.907 35.514 ( -0.706 5.816 0.750) 5.907 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 7.011 0.000 26.346) 27.263 0.720 ( 6.483 0.000 34.098) 34.709 1.087 ( -5.082 0.000 49.637) 49.897 1.625 ( -3.209 0.000 -21.309) 21.549 2.039 ( -9.025 0.000 -18.826) 20.878 2.233 ( 1.041 0.000 -5.792) 5.884 2.393 ( -2.608 0.000 7.491) 7.932 2.557 ( -7.214 0.000 10.038) 12.361 2.630 ( 4.154 0.000 0.912) 4.253 2.652 ( -0.457 0.000 -6.511) 6.527 2.840 ( 3.736 0.000 5.694) 6.811 2.980 ( 1.694 0.000 -3.262) 3.676 2.999 ( -4.544 0.000 -12.078) 12.904 3.147 ( 7.629 0.000 -2.883) 8.156 3.155 ( 10.338 0.000 2.682) 10.680 3.234 ( -5.386 0.000 -0.905) 5.461 3.309 ( 12.208 0.000 1.572) 12.309 3.395 ( 6.905 0.000 -6.036) 9.172 3.417 ( -7.382 0.000 -3.576) 8.203 3.512 ( 1.215 0.000 -2.429) 2.716 3.608 ( -4.921 0.000 -0.053) 4.922 3.655 ( -4.725 0.000 -4.458) 6.496 3.732 ( 0.587 0.000 -1.403) 1.521 3.858 ( -7.797 0.000 5.171) 9.356 3.887 ( -3.504 0.000 -1.292) 3.735 4.013 ( 4.285 0.000 -3.600) 5.597 4.140 ( -2.512 0.000 -9.911) 10.224 4.187 ( 2.037 0.000 2.998) 3.625 4.264 ( 6.073 0.000 -5.128) 7.949 4.347 ( -0.274 0.000 1.344) 1.371 4.491 ( -7.866 0.000 -6.515) 10.214 4.519 ( -11.891 0.000 10.962) 16.172 4.548 ( -1.753 0.000 4.570) 4.895 4.756 ( 6.505 0.000 -7.497) 9.926 4.806 ( -3.651 0.000 -0.168) 3.655 4.884 ( 4.969 0.000 18.848) 19.493 4.997 ( 9.234 0.000 -5.616) 10.807 5.013 ( 2.645 0.000 7.304) 7.768 5.186 ( 4.234 0.000 4.032) 5.846 5.226 ( 1.790 0.000 4.853) 5.172 5.228 ( -1.865 0.000 -0.815) 2.035 5.343 ( 9.613 0.000 -2.703) 9.986 5.398 ( -6.302 0.000 7.332) 9.669 5.459 ( -0.631 0.000 9.100) 9.122 5.465 ( -2.572 0.000 -6.139) 6.656 5.550 ( -0.160 0.000 1.508) 1.516 5.617 ( -5.346 0.000 3.763) 6.538 5.700 ( -1.827 0.000 -0.799) 1.994 5.802 ( 3.581 0.000 -7.712) 8.503 5.885 ( -1.762 0.000 6.301) 6.542 5.956 ( -4.253 0.000 2.959) 5.181 6.020 ( 4.103 0.000 4.579) 6.148 6.026 ( 4.062 0.000 0.843) 4.148 6.217 ( -4.291 0.000 -5.027) 6.609 6.329 ( 2.386 0.000 -6.509) 6.933 6.351 ( 0.705 0.000 0.986) 1.212 6.380 ( 2.123 0.000 -1.381) 2.533 6.577 ( -4.069 0.000 2.750) 4.911 6.596 ( -2.576 0.000 -3.051) 3.993 6.705 ( 1.996 0.000 5.582) 5.928 6.959 ( -7.145 0.000 -8.496) 11.101 7.059 ( 0.159 0.000 -1.112) 1.123 7.123 ( -9.934 0.000 -4.989) 11.116 7.207 ( -5.031 0.000 -12.921) 13.866 7.379 ( 6.910 0.000 5.735) 8.980 7.567 ( 11.176 0.000 1.247) 11.245 7.748 ( -0.647 0.000 -3.299) 3.362 7.775 ( 1.107 0.000 -6.825) 6.914 7.858 ( -6.055 0.000 -1.318) 6.196 8.021 ( 0.672 0.000 5.127) 5.171 8.049 ( 5.888 0.000 1.893) 6.185 8.180 ( 6.994 0.000 -7.798) 10.475 8.290 ( -5.305 0.000 0.422) 5.321 8.335 ( -0.848 0.000 2.905) 3.027 8.359 ( -2.036 0.000 1.460) 2.506 8.428 ( 0.406 0.000 3.089) 3.115 8.446 ( 2.776 0.000 -2.341) 3.632 8.468 ( 2.304 0.000 1.486) 2.742 8.697 ( -5.908 0.000 7.767) 9.759 8.734 ( 0.988 0.000 -3.483) 3.620 8.791 ( -1.437 0.000 4.770) 4.982 8.848 ( -7.771 0.000 4.194) 8.831 8.872 ( -0.948 0.000 -4.607) 4.704 9.036 ( 10.750 0.000 3.193) 11.214 9.048 ( -1.348 0.000 1.383) 1.932 9.138 ( 0.624 0.000 -1.835) 1.938 9.176 ( 5.485 0.000 4.046) 6.816 9.242 ( 0.708 0.000 -8.929) 8.957 9.403 ( -0.864 0.000 1.992) 2.171 9.485 ( 2.709 0.000 0.023) 2.710 9.609 ( -4.746 0.000 -2.141) 5.207 9.618 ( -1.093 0.000 -1.774) 2.083 9.833 ( -0.523 0.000 5.613) 5.637 9.938 ( 5.814 0.000 -0.718) 5.858 9.987 ( 3.433 0.000 1.460) 3.730 10.023 ( -3.284 0.000 -0.385) 3.306 10.179 ( 0.658 0.000 -0.264) 0.709 10.209 ( 14.024 0.000 -1.402) 14.094 10.242 ( -4.442 0.000 -0.647) 4.488 10.316 ( 3.238 0.000 -3.838) 5.021 11.156 ( -2.795 0.000 3.764) 4.688 11.306 ( 0.910 0.000 -2.597) 2.752 11.311 ( 2.115 0.000 1.002) 2.341 11.354 ( -4.732 0.000 0.095) 4.733 11.407 ( -3.328 0.000 2.936) 4.438 11.540 ( -0.120 0.000 -2.419) 2.422 11.693 ( 2.912 0.000 0.699) 2.994 11.732 ( -17.549 0.000 1.318) 17.598 11.821 ( -5.959 0.000 -0.909) 6.028 11.851 ( -0.003 0.000 -0.070) 0.070 12.207 ( -1.223 0.000 0.210) 1.241 12.275 ( 0.475 0.000 -2.250) 2.300 12.712 ( -5.003 0.000 0.611) 5.040 12.764 ( 0.919 0.000 -0.944) 1.318 12.814 ( -0.029 0.000 -2.303) 2.303 12.820 ( -3.156 0.000 -3.385) 4.628 12.882 ( -0.080 0.000 0.977) 0.981 12.933 ( -0.080 0.000 -0.179) 0.196 13.061 ( 3.005 0.000 4.773) 5.640 13.193 ( -0.670 0.000 -1.741) 1.866 13.241 ( 0.241 0.000 0.998) 1.027 13.266 ( -3.020 0.000 -0.047) 3.020 13.317 ( 1.087 0.000 1.408) 1.778 13.431 ( 0.073 0.000 -3.310) 3.310 13.634 ( 0.670 0.000 3.616) 3.677 13.839 ( -1.335 0.000 -4.210) 4.416 13.896 ( 1.465 0.000 2.755) 3.120 14.018 ( -0.887 0.000 -1.573) 1.806 15.308 ( 2.299 0.000 -1.181) 2.584 15.316 ( -1.948 0.000 -1.344) 2.366 15.415 ( -1.582 0.000 2.569) 3.017 15.471 ( 0.482 0.000 0.420) 0.639 15.647 ( 2.549 0.000 -1.517) 2.966 15.669 ( 0.493 0.000 -2.292) 2.344 15.933 ( 0.691 0.000 4.327) 4.381 15.983 ( -0.996 0.000 3.692) 3.824 16.054 ( 0.346 0.000 0.099) 0.360 16.067 ( 0.590 0.000 -1.297) 1.425 16.347 ( -0.120 0.000 -0.772) 0.782 16.355 ( -1.887 0.000 -2.220) 2.914 16.501 ( 1.205 0.000 1.465) 1.897 16.541 ( -2.526 0.000 0.277) 2.541 16.575 ( 0.921 0.000 0.457) 1.028 16.597 ( 0.683 0.000 -0.064) 0.686 16.906 ( 2.111 0.000 -1.297) 2.478 16.928 ( -0.421 0.000 -2.391) 2.428 16.972 ( 0.488 0.000 0.810) 0.945 16.999 ( -1.204 0.000 -0.774) 1.431 17.149 ( -2.399 0.000 3.398) 4.160 17.235 ( -0.239 0.000 -0.447) 0.506 17.286 ( -1.367 0.000 1.678) 2.164 17.385 ( 2.546 0.000 -0.371) 2.573 17.423 ( -1.160 0.000 0.333) 1.207 17.450 ( -5.247 0.000 3.245) 6.169 17.529 ( -1.411 0.000 -0.889) 1.668 17.579 ( 1.910 0.000 -0.097) 1.912 17.974 ( -0.758 0.000 -1.931) 2.074 18.067 ( 1.429 0.000 -2.943) 3.271 18.083 ( -0.493 0.000 1.449) 1.530 18.110 ( 3.428 0.000 -2.641) 4.327 18.347 ( 3.316 0.000 2.907) 4.410 18.460 ( -2.745 0.000 -2.085) 3.447 18.505 ( 0.499 0.000 3.149) 3.188 18.624 ( 7.170 0.000 -1.228) 7.274 19.005 ( -1.104 0.000 0.834) 1.384 19.088 ( 1.472 0.000 -2.792) 3.156 19.537 ( 13.588 0.000 3.395) 14.005 19.658 ( -2.534 0.000 -1.617) 3.006 28.287 ( -0.709 0.000 0.977) 1.207 28.356 ( 0.601 0.000 -0.948) 1.123 28.412 ( -4.032 0.000 2.930) 4.985 28.559 ( 1.653 0.000 -4.412) 4.711 28.807 ( -1.681 0.000 4.607) 4.904 28.930 ( 1.739 0.000 -1.245) 2.139 29.226 ( 2.278 0.000 1.315) 2.630 29.291 ( -11.119 0.000 -0.920) 11.157 29.307 ( -7.868 0.000 0.284) 7.873 29.338 ( 0.641 0.000 -0.809) 1.032 29.513 ( 0.499 0.000 2.360) 2.412 29.659 ( 2.851 0.000 -3.238) 4.314 29.810 ( 0.370 0.000 1.013) 1.078 29.857 ( -1.370 0.000 -1.110) 1.763 29.930 ( 1.210 0.000 1.627) 2.028 29.952 ( 0.624 0.000 2.477) 2.554 30.061 ( 0.911 0.000 0.117) 0.918 30.135 ( -2.163 0.000 -1.420) 2.588 30.232 ( -0.369 0.000 -0.410) 0.551 30.239 ( -0.405 0.000 -0.637) 0.755 30.478 ( 0.583 0.000 0.329) 0.670 30.482 ( 0.881 0.000 0.229) 0.910 30.676 ( -0.418 0.000 1.994) 2.038 30.784 ( 0.803 0.000 -2.072) 2.223 30.872 ( -4.824 0.000 1.342) 5.007 30.947 ( 22.867 0.000 -1.941) 22.949 31.121 ( 3.109 0.000 0.347) 3.128 31.239 ( -2.310 0.000 -2.174) 3.172 31.315 ( -3.496 0.000 -0.036) 3.496 31.341 ( 3.907 0.000 -5.148) 6.463 31.473 ( -15.190 0.000 3.709) 15.636 31.504 ( -4.176 0.000 2.041) 4.648 31.527 ( -19.646 0.000 0.866) 19.665 31.637 ( 5.224 0.000 -0.043) 5.224 31.787 ( 3.541 0.000 -1.784) 3.965 31.788 ( -0.738 0.000 -2.949) 3.040 31.901 ( 4.741 0.000 -0.491) 4.766 31.914 ( 4.553 0.000 -0.707) 4.608 32.534 ( -0.740 0.000 1.308) 1.503 32.674 ( -1.303 0.000 -6.408) 6.539 33.037 ( -6.203 0.000 8.480) 10.506 33.268 ( 0.942 0.000 -2.647) 2.810 34.704 ( -1.076 0.000 0.965) 1.445 34.741 ( 0.527 0.000 -0.454) 0.696 34.933 ( 0.694 0.000 1.784) 1.914 34.955 ( -6.505 0.000 0.757) 6.549 36.064 ( -3.793 0.000 1.693) 4.153 36.146 ( 23.886 0.000 -1.409) 23.927 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 26.977 0.000 19.097) 33.052 1.306 ( 13.732 0.000 28.901) 31.997 1.386 ( 17.100 0.000 -18.504) 25.195 1.611 ( -5.713 0.000 -20.348) 21.135 1.922 ( 26.346 0.000 35.615) 44.300 2.196 ( 0.028 0.000 -2.669) 2.669 2.411 ( -4.624 0.000 4.576) 6.505 2.537 ( -4.946 0.000 -0.384) 4.961 2.658 ( 7.855 0.000 1.442) 7.986 2.676 ( 1.503 0.000 -3.928) 4.206 2.787 ( 0.553 0.000 -13.432) 13.443 2.949 ( 0.264 0.000 -3.341) 3.352 3.013 ( 2.861 0.000 7.348) 7.885 3.101 ( -6.815 0.000 -3.293) 7.569 3.216 ( 2.538 0.000 -5.197) 5.784 3.224 ( -6.926 0.000 -3.875) 7.936 3.281 ( 1.813 0.000 -7.513) 7.729 3.321 ( -0.964 0.000 -7.798) 7.857 3.460 ( 1.177 0.000 -3.490) 3.683 3.480 ( 5.836 0.000 1.593) 6.050 3.574 ( -0.235 0.000 1.948) 1.962 3.622 ( -3.641 0.000 3.414) 4.991 3.781 ( -3.048 0.000 9.776) 10.241 3.849 ( 0.195 0.000 2.613) 2.621 3.910 ( 1.348 0.000 -10.491) 10.577 3.933 ( 5.595 0.000 1.684) 5.843 4.058 ( 1.062 0.000 -4.457) 4.582 4.201 ( 5.067 0.000 -4.765) 6.956 4.254 ( -8.143 0.000 -6.759) 10.583 4.329 ( -8.124 0.000 8.165) 11.518 4.373 ( -3.207 0.000 6.321) 7.088 4.469 ( -4.706 0.000 6.971) 8.411 4.560 ( -0.140 0.000 0.752) 0.765 4.689 ( -4.960 0.000 -1.329) 5.136 4.777 ( 4.537 0.000 -3.511) 5.737 5.034 ( -0.697 0.000 0.025) 0.697 5.112 ( -2.588 0.000 -5.149) 5.763 5.142 ( -4.906 0.000 -2.662) 5.582 5.193 ( 3.943 0.000 13.237) 13.812 5.212 ( 3.459 0.000 1.801) 3.900 5.247 ( -0.875 0.000 3.117) 3.238 5.395 ( 3.471 0.000 -6.361) 7.247 5.441 ( 0.626 0.000 -7.999) 8.023 5.511 ( 10.603 0.000 -0.450) 10.613 5.567 ( 3.168 0.000 10.200) 10.681 5.572 ( -1.426 0.000 0.294) 1.456 5.644 ( 4.536 0.000 5.156) 6.867 5.739 ( 1.488 0.000 9.768) 9.880 5.788 ( 4.342 0.000 -5.098) 6.697 5.925 ( -1.223 0.000 -1.752) 2.136 5.932 ( 0.012 0.000 8.548) 8.548 6.033 ( 1.807 0.000 -12.628) 12.757 6.111 ( 1.146 0.000 -3.129) 3.333 6.172 ( 4.319 0.000 2.325) 4.905 6.277 ( -3.126 0.000 1.345) 3.403 6.381 ( -1.421 0.000 3.663) 3.929 6.390 ( 2.078 0.000 -1.851) 2.782 6.466 ( -7.796 0.000 -2.910) 8.321 6.610 ( 1.339 0.000 8.420) 8.526 6.703 ( -10.538 0.000 6.135) 12.194 6.743 ( 0.568 0.000 -5.378) 5.408 6.968 ( -5.941 0.000 -7.049) 9.219 7.019 ( -6.064 0.000 -0.304) 6.072 7.073 ( -1.741 0.000 1.501) 2.299 7.459 ( -6.716 0.000 -3.662) 7.649 7.581 ( -2.090 0.000 -13.069) 13.235 7.686 ( 2.471 0.000 1.336) 2.809 7.688 ( -0.073 0.000 1.576) 1.578 7.906 ( -4.090 0.000 2.263) 4.675 7.967 ( -0.470 0.000 1.970) 2.025 7.988 ( -15.141 0.000 -1.235) 15.192 8.123 ( 1.545 0.000 -5.272) 5.494 8.249 ( -6.044 0.000 -2.159) 6.418 8.272 ( 3.551 0.000 -1.496) 3.853 8.418 ( 1.546 0.000 -0.051) 1.547 8.478 ( -0.437 0.000 4.941) 4.960 8.513 ( 3.607 0.000 -1.345) 3.850 8.606 ( 10.677 0.000 0.406) 10.685 8.718 ( 0.187 0.000 1.859) 1.869 8.774 ( -2.604 0.000 -6.745) 7.230 8.795 ( 4.997 0.000 5.736) 7.608 8.810 ( -0.912 0.000 3.524) 3.640 8.840 ( -2.412 0.000 9.892) 10.182 8.999 ( -2.956 0.000 -1.773) 3.447 9.152 ( 3.403 0.000 -2.581) 4.271 9.185 ( 6.585 0.000 0.288) 6.591 9.201 ( 4.322 0.000 -5.293) 6.833 9.309 ( 5.823 0.000 0.245) 5.829 9.370 ( -4.916 0.000 1.012) 5.019 9.402 ( -10.495 0.000 -1.010) 10.543 9.560 ( -1.024 0.000 2.886) 3.063 9.619 ( 2.039 0.000 0.702) 2.157 9.781 ( -8.275 0.000 -0.674) 8.303 9.908 ( -4.524 0.000 -3.771) 5.889 9.962 ( -1.408 0.000 2.207) 2.618 10.076 ( -0.328 0.000 3.649) 3.664 10.104 ( -6.158 0.000 -3.334) 7.003 10.148 ( 1.116 0.000 -3.442) 3.618 10.316 ( 1.780 0.000 -5.019) 5.326 10.366 ( 4.527 0.000 -0.107) 4.529 11.178 ( 0.600 0.000 3.030) 3.089 11.278 ( -1.261 0.000 1.406) 1.889 11.321 ( 1.005 0.000 -0.626) 1.184 11.346 ( -1.600 0.000 -0.081) 1.602 11.412 ( 0.566 0.000 5.557) 5.586 11.507 ( -2.879 0.000 0.003) 2.879 11.570 ( -2.448 0.000 1.403) 2.822 11.767 ( 1.649 0.000 3.631) 3.988 11.829 ( 0.301 0.000 1.226) 1.262 11.830 ( -0.964 0.000 -0.551) 1.111 12.210 ( 0.819 0.000 0.520) 0.970 12.268 ( 1.061 0.000 -1.840) 2.124 12.720 ( -1.886 0.000 -3.028) 3.567 12.723 ( 0.805 0.000 3.965) 4.045 12.803 ( 0.979 0.000 1.278) 1.610 12.818 ( 1.821 0.000 -3.500) 3.946 12.900 ( 0.387 0.000 2.204) 2.238 12.924 ( -0.277 0.000 -0.816) 0.862 13.141 ( -1.623 0.000 -3.318) 3.694 13.146 ( 1.680 0.000 2.525) 3.033 13.249 ( 0.275 0.000 0.511) 0.580 13.294 ( 3.812 0.000 2.552) 4.588 13.366 ( 2.696 0.000 1.338) 3.010 13.382 ( -1.099 0.000 -3.783) 3.940 13.733 ( 4.662 0.000 5.412) 7.143 13.766 ( -1.024 0.000 -4.407) 4.524 13.959 ( -2.538 0.000 -3.294) 4.159 13.959 ( 1.277 0.000 3.421) 3.652 15.287 ( -0.127 0.000 -1.151) 1.158 15.345 ( 2.757 0.000 -0.423) 2.789 15.427 ( -0.568 0.000 1.912) 1.995 15.491 ( 1.417 0.000 0.356) 1.462 15.669 ( 2.844 0.000 -3.116) 4.219 15.675 ( 2.985 0.000 -1.209) 3.220 15.977 ( -1.323 0.000 3.162) 3.427 15.996 ( -0.613 0.000 0.924) 1.108 16.038 ( -1.934 0.000 -1.366) 2.368 16.051 ( -1.010 0.000 0.712) 1.236 16.351 ( 2.770 0.000 -0.554) 2.825 16.359 ( 1.449 0.000 -0.415) 1.507 16.491 ( -3.062 0.000 0.756) 3.154 16.542 ( 0.009 0.000 2.878) 2.878 16.596 ( 0.727 0.000 0.514) 0.890 16.598 ( 1.272 0.000 -2.116) 2.469 16.877 ( -1.853 0.000 -2.588) 3.183 16.902 ( -0.048 0.000 -0.804) 0.805 16.969 ( -1.314 0.000 0.044) 1.314 16.992 ( -0.023 0.000 1.075) 1.075 17.172 ( -0.157 0.000 3.415) 3.418 17.224 ( -0.744 0.000 0.161) 0.761 17.285 ( -0.923 0.000 1.349) 1.634 17.404 ( 2.309 0.000 -3.572) 4.254 17.439 ( 0.514 0.000 3.178) 3.219 17.448 ( -1.983 0.000 4.196) 4.641 17.506 ( 0.183 0.000 -1.659) 1.669 17.618 ( 2.615 0.000 -0.393) 2.645 17.962 ( 0.539 0.000 0.155) 0.561 18.043 ( 2.061 0.000 -4.680) 5.113 18.092 ( 0.421 0.000 -0.021) 0.421 18.153 ( 3.728 0.000 -0.776) 3.808 18.374 ( -3.798 0.000 -2.854) 4.750 18.411 ( 0.711 0.000 2.942) 3.027 18.503 ( -4.047 0.000 0.857) 4.137 18.609 ( -2.108 0.000 -2.685) 3.414 19.007 ( 0.081 0.000 1.004) 1.007 19.093 ( 2.643 0.000 -2.233) 3.459 19.540 ( -6.030 0.000 -4.678) 7.631 19.627 ( -2.467 0.000 2.234) 3.328 28.292 ( -0.396 0.000 1.497) 1.549 28.352 ( 0.548 0.000 -1.302) 1.412 28.402 ( -1.969 0.000 3.449) 3.971 28.543 ( 1.688 0.000 -3.456) 3.846 28.845 ( 0.688 0.000 3.228) 3.301 28.958 ( 2.625 0.000 -1.852) 3.213 29.093 ( -8.814 0.000 4.480) 9.887 29.254 ( -1.117 0.000 3.640) 3.807 29.346 ( 3.935 0.000 0.443) 3.960 29.381 ( 3.092 0.000 0.615) 3.153 29.572 ( 2.549 0.000 2.540) 3.598 29.629 ( 0.380 0.000 -4.517) 4.533 29.820 ( -1.664 0.000 -0.572) 1.759 29.827 ( -0.086 0.000 1.731) 1.733 29.943 ( -1.992 0.000 -0.806) 2.149 29.972 ( 0.652 0.000 1.590) 1.718 30.075 ( -1.229 0.000 -2.498) 2.784 30.124 ( 3.342 0.000 2.633) 4.254 30.222 ( -0.087 0.000 0.695) 0.700 30.228 ( -0.586 0.000 -0.258) 0.640 30.477 ( -1.354 0.000 -1.045) 1.710 30.496 ( 1.849 0.000 -1.087) 2.145 30.729 ( 2.098 0.000 3.930) 4.455 30.760 ( -6.728 0.000 -2.084) 7.044 30.828 ( 5.763 0.000 -1.544) 5.966 30.911 ( -7.899 0.000 6.239) 10.066 31.067 ( -10.795 0.000 -4.325) 11.629 31.162 ( -8.121 0.000 1.999) 8.363 31.271 ( 3.359 0.000 -4.027) 5.244 31.309 ( -2.821 0.000 -2.911) 4.054 31.320 ( -0.501 0.000 -2.495) 2.545 31.512 ( 1.605 0.000 0.649) 1.732 31.552 ( 2.819 0.000 3.421) 4.433 31.611 ( -4.707 0.000 2.594) 5.374 31.795 ( -1.237 0.000 0.041) 1.238 31.797 ( -0.457 0.000 0.295) 0.544 31.890 ( -2.924 0.000 -5.273) 6.030 31.967 ( 4.868 0.000 -1.492) 5.091 32.637 ( 7.784 0.000 2.350) 8.132 32.683 ( 3.916 0.000 -4.133) 5.693 33.302 ( 21.772 0.000 1.763) 21.843 33.408 ( 18.877 0.000 -0.372) 18.881 34.691 ( -0.860 0.000 2.619) 2.757 34.717 ( -4.709 0.000 -0.994) 4.813 34.938 ( 2.204 0.000 2.974) 3.702 34.972 ( 0.364 0.000 1.511) 1.554 35.901 ( -14.456 0.000 -3.985) 14.995 36.181 ( -5.696 0.000 -2.625) 6.272 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 19.332 0.000 -7.496) 20.735 1.573 ( 28.828 0.000 -14.163) 32.119 1.843 ( 26.476 0.000 13.377) 29.663 1.876 ( 18.266 0.000 17.630) 25.386 2.128 ( -8.318 0.000 2.784) 8.771 2.332 ( -8.420 0.000 2.841) 8.886 2.489 ( -1.634 0.000 -2.773) 3.219 2.630 ( -6.740 0.000 -2.837) 7.313 2.647 ( 2.087 0.000 -6.886) 7.195 2.686 ( 19.531 0.000 6.721) 20.655 2.834 ( 11.327 0.000 -6.679) 13.149 2.848 ( -0.459 0.000 5.314) 5.334 2.973 ( 1.925 0.000 -9.344) 9.540 3.020 ( -11.474 0.000 -6.535) 13.205 3.090 ( -3.991 0.000 -6.960) 8.023 3.114 ( -3.598 0.000 5.216) 6.337 3.218 ( -2.783 0.000 2.151) 3.517 3.299 ( 3.539 0.000 -0.971) 3.669 3.319 ( -9.263 0.000 -4.659) 10.368 3.501 ( -8.233 0.000 4.668) 9.464 3.603 ( 5.304 0.000 8.187) 9.755 3.695 ( 0.393 0.000 -12.905) 12.911 3.732 ( 11.692 0.000 -1.667) 11.810 3.893 ( -0.760 0.000 10.003) 10.032 4.006 ( -7.237 0.000 -4.093) 8.314 4.025 ( 5.839 0.000 -0.467) 5.858 4.075 ( 1.570 0.000 3.449) 3.790 4.147 ( -17.686 0.000 2.787) 17.904 4.181 ( 11.528 0.000 10.018) 15.273 4.237 ( 4.340 0.000 -4.341) 6.138 4.385 ( -4.011 0.000 6.001) 7.218 4.488 ( -5.397 0.000 9.441) 10.874 4.661 ( 7.413 0.000 2.976) 7.988 4.664 ( 1.107 0.000 -0.368) 1.166 4.734 ( -1.806 0.000 -8.373) 8.565 4.792 ( -15.434 0.000 -9.579) 18.165 5.016 ( -4.260 0.000 -2.761) 5.077 5.048 ( -0.465 0.000 -0.931) 1.041 5.271 ( 7.852 0.000 -4.377) 8.989 5.292 ( 3.913 0.000 -5.930) 7.105 5.326 ( -5.842 0.000 10.290) 11.833 5.438 ( 0.827 0.000 5.825) 5.884 5.460 ( 7.255 0.000 -2.483) 7.668 5.582 ( 5.411 0.000 -5.909) 8.012 5.611 ( -1.295 0.000 0.620) 1.436 5.653 ( 4.399 0.000 1.310) 4.590 5.749 ( 0.762 0.000 1.100) 1.338 5.814 ( 5.931 0.000 -5.361) 7.995 5.819 ( 0.615 0.000 4.576) 4.617 5.891 ( -4.055 0.000 0.681) 4.112 5.938 ( 10.994 0.000 -15.814) 19.260 6.072 ( 1.286 0.000 -5.191) 5.348 6.097 ( -3.047 0.000 5.188) 6.017 6.220 ( 5.880 0.000 3.291) 6.738 6.267 ( -9.737 0.000 -4.882) 10.893 6.317 ( -1.560 0.000 7.409) 7.571 6.321 ( -1.319 0.000 -5.562) 5.716 6.492 ( 3.545 0.000 7.737) 8.511 6.650 ( -8.938 0.000 15.923) 18.260 6.676 ( -1.522 0.000 -0.497) 1.601 6.771 ( 3.222 0.000 0.687) 3.294 6.820 ( -7.169 0.000 -4.076) 8.247 6.980 ( -2.726 0.000 11.046) 11.377 7.031 ( -4.562 0.000 0.700) 4.616 7.240 ( -7.393 0.000 -5.218) 9.049 7.442 ( -1.445 0.000 -5.701) 5.882 7.601 ( -12.696 0.000 -2.264) 12.896 7.670 ( -5.096 0.000 2.771) 5.801 7.747 ( -4.475 0.000 -4.532) 6.369 7.880 ( 2.468 0.000 -0.977) 2.654 8.062 ( 2.742 0.000 1.265) 3.019 8.121 ( 4.325 0.000 -0.273) 4.334 8.152 ( -4.528 0.000 2.216) 5.041 8.263 ( -3.188 0.000 -0.414) 3.215 8.376 ( -3.970 0.000 0.326) 3.983 8.504 ( 0.020 0.000 1.013) 1.013 8.579 ( 2.012 0.000 1.798) 2.698 8.628 ( -4.048 0.000 -4.992) 6.427 8.691 ( -3.020 0.000 -2.454) 3.891 8.732 ( 2.003 0.000 1.305) 2.391 8.861 ( 4.339 0.000 -2.033) 4.791 8.957 ( 1.792 0.000 9.797) 9.960 8.961 ( 2.073 0.000 -2.662) 3.374 8.991 ( 8.403 0.000 4.137) 9.366 9.190 ( -6.001 0.000 -6.077) 8.541 9.194 ( 2.274 0.000 -0.137) 2.278 9.229 ( 5.439 0.000 -4.413) 7.004 9.288 ( -4.472 0.000 0.628) 4.516 9.292 ( 5.350 0.000 -1.909) 5.680 9.355 ( -0.734 0.000 -1.022) 1.259 9.579 ( -8.678 0.000 -2.661) 9.077 9.597 ( -0.840 0.000 4.699) 4.773 9.699 ( 3.445 0.000 0.396) 3.467 9.787 ( -3.088 0.000 -2.875) 4.219 9.962 ( -3.583 0.000 2.657) 4.461 10.015 ( -6.895 0.000 1.944) 7.163 10.023 ( 1.940 0.000 -2.338) 3.038 10.198 ( 4.956 0.000 -1.479) 5.172 10.247 ( -4.318 0.000 -1.206) 4.484 10.420 ( 1.755 0.000 -0.723) 1.898 11.238 ( 2.633 0.000 1.986) 3.298 11.287 ( 0.616 0.000 0.161) 0.637 11.302 ( -2.739 0.000 0.403) 2.768 11.342 ( 0.534 0.000 1.163) 1.280 11.448 ( -2.155 0.000 -1.627) 2.701 11.496 ( 1.077 0.000 4.755) 4.875 11.584 ( 1.205 0.000 0.954) 1.537 11.774 ( -2.095 0.000 0.037) 2.095 11.834 ( -0.040 0.000 -0.716) 0.718 11.844 ( -0.121 0.000 1.829) 1.833 12.240 ( 0.750 0.000 2.006) 2.142 12.261 ( 0.348 0.000 -0.992) 1.052 12.668 ( -0.773 0.000 -1.951) 2.098 12.765 ( 0.184 0.000 0.403) 0.443 12.817 ( -3.525 0.000 3.975) 5.313 12.827 ( 0.777 0.000 1.989) 2.136 12.907 ( 0.005 0.000 -1.223) 1.223 12.947 ( 1.806 0.000 1.366) 2.264 13.075 ( -0.998 0.000 -3.409) 3.552 13.206 ( 2.749 0.000 2.646) 3.816 13.267 ( 0.729 0.000 0.576) 0.929 13.305 ( -1.984 0.000 -3.428) 3.961 13.400 ( 3.821 0.000 1.468) 4.093 13.433 ( 3.365 0.000 0.724) 3.442 13.717 ( 0.187 0.000 -2.440) 2.447 13.873 ( -2.753 0.000 -2.710) 3.863 13.877 ( 4.012 0.000 3.976) 5.649 14.007 ( 0.443 0.000 1.763) 1.818 15.283 ( 0.831 0.000 -0.445) 0.943 15.377 ( 1.723 0.000 -0.673) 1.850 15.427 ( -1.220 0.000 0.754) 1.434 15.522 ( 1.895 0.000 -0.515) 1.964 15.680 ( 1.810 0.000 -0.978) 2.058 15.738 ( 4.398 0.000 0.159) 4.401 15.965 ( -2.573 0.000 1.317) 2.890 15.981 ( -1.417 0.000 -2.137) 2.564 15.992 ( -0.551 0.000 -0.624) 0.832 16.033 ( -1.238 0.000 -0.710) 1.427 16.346 ( -2.337 0.000 0.542) 2.399 16.403 ( 2.564 0.000 0.611) 2.636 16.481 ( -0.805 0.000 1.777) 1.950 16.550 ( -1.782 0.000 0.994) 2.041 16.602 ( 2.483 0.000 -3.285) 4.118 16.611 ( 0.697 0.000 -0.250) 0.741 16.826 ( -0.734 0.000 -1.515) 1.683 16.898 ( -0.011 0.000 0.440) 0.441 16.957 ( -0.890 0.000 0.738) 1.156 16.981 ( -2.045 0.000 0.159) 2.052 17.221 ( 1.621 0.000 2.120) 2.669 17.225 ( -0.385 0.000 1.966) 2.003 17.284 ( -0.740 0.000 0.779) 1.075 17.396 ( 2.272 0.000 -4.747) 5.263 17.462 ( -1.362 0.000 2.430) 2.786 17.482 ( 0.278 0.000 3.306) 3.318 17.495 ( -0.211 0.000 0.300) 0.366 17.651 ( 1.176 0.000 -0.114) 1.181 17.987 ( 0.649 0.000 1.137) 1.309 18.047 ( 2.738 0.000 -1.416) 3.082 18.097 ( 1.108 0.000 -0.881) 1.415 18.200 ( 3.823 0.000 -2.317) 4.470 18.275 ( -2.440 0.000 -3.743) 4.468 18.409 ( -5.449 0.000 -0.366) 5.461 18.436 ( -1.290 0.000 1.531) 2.002 18.540 ( -1.706 0.000 -2.321) 2.880 19.027 ( 0.534 0.000 1.205) 1.318 19.122 ( 3.364 0.000 -1.884) 3.855 19.412 ( -2.068 0.000 -3.496) 4.061 19.578 ( -5.554 0.000 1.985) 5.898 28.303 ( -0.474 0.000 1.187) 1.278 28.346 ( 0.622 0.000 -1.413) 1.544 28.422 ( -0.746 0.000 3.928) 3.998 28.536 ( 1.708 0.000 -2.381) 2.930 28.894 ( 1.310 0.000 1.766) 2.199 28.932 ( -2.360 0.000 -2.553) 3.477 29.063 ( -0.602 0.000 1.877) 1.971 29.304 ( 1.185 0.000 4.246) 4.409 29.393 ( -2.106 0.000 -1.514) 2.593 29.426 ( 4.991 0.000 -0.464) 5.012 29.598 ( 1.162 0.000 -2.177) 2.468 29.644 ( 2.336 0.000 2.025) 3.092 29.792 ( -0.937 0.000 -0.412) 1.023 29.846 ( -0.112 0.000 1.408) 1.412 29.894 ( -2.355 0.000 -0.645) 2.442 29.953 ( -2.014 0.000 -2.248) 3.018 30.073 ( 2.645 0.000 0.669) 2.729 30.175 ( 0.721 0.000 0.536) 0.899 30.202 ( -1.876 0.000 -0.670) 1.992 30.260 ( 1.493 0.000 1.405) 2.050 30.427 ( -1.795 0.000 -4.296) 4.656 30.519 ( 3.616 0.000 -2.210) 4.238 30.554 ( -8.166 0.000 -2.664) 8.589 30.806 ( 1.406 0.000 2.760) 3.097 30.895 ( -3.153 0.000 6.391) 7.126 30.913 ( -4.280 0.000 1.910) 4.687 30.986 ( 10.703 0.000 -0.191) 10.705 31.085 ( -4.511 0.000 1.290) 4.692 31.207 ( -2.077 0.000 -2.967) 3.622 31.263 ( -2.172 0.000 -0.329) 2.197 31.272 ( -1.110 0.000 -3.009) 3.207 31.525 ( -0.500 0.000 -1.747) 1.818 31.601 ( -0.928 0.000 3.530) 3.650 31.617 ( 1.037 0.000 1.493) 1.818 31.730 ( -6.358 0.000 1.570) 6.549 31.765 ( -3.535 0.000 -2.863) 4.549 31.800 ( -0.790 0.000 1.465) 1.664 32.019 ( 2.286 0.000 0.253) 2.300 32.698 ( 1.628 0.000 -0.705) 1.774 32.757 ( 2.630 0.000 2.349) 3.526 33.690 ( 22.528 0.000 -0.427) 22.532 33.841 ( 22.976 0.000 6.906) 23.992 34.567 ( -10.454 0.000 -1.328) 10.538 34.762 ( 3.695 0.000 4.360) 5.715 34.963 ( -3.429 0.000 1.471) 3.731 35.046 ( 6.000 0.000 1.118) 6.103 35.521 ( -15.821 0.000 -12.398) 20.100 36.021 ( -8.729 0.000 -2.435) 9.063 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 19.152 0.000 -6.832) 20.335 1.912 ( 23.073 0.000 -9.562) 24.976 2.023 ( -6.194 0.000 6.564) 9.025 2.118 ( -14.178 0.000 -9.300) 16.956 2.277 ( 12.494 0.000 4.000) 13.119 2.302 ( -6.342 0.000 -4.446) 7.745 2.386 ( 15.683 0.000 -0.919) 15.710 2.451 ( 0.807 0.000 -6.426) 6.476 2.584 ( -17.329 0.000 -3.659) 17.711 2.750 ( 1.490 0.000 7.787) 7.929 2.776 ( -2.361 0.000 1.396) 2.743 2.782 ( -7.015 0.000 -1.774) 7.236 2.830 ( -4.581 0.000 2.442) 5.191 2.995 ( 9.264 0.000 -3.282) 9.828 3.094 ( 4.770 0.000 -10.048) 11.122 3.104 ( -1.701 0.000 2.035) 2.652 3.290 ( 14.719 0.000 -4.359) 15.351 3.354 ( -6.473 0.000 3.126) 7.188 3.366 ( 6.894 0.000 5.362) 8.734 3.531 ( -1.066 0.000 5.364) 5.469 3.635 ( 5.642 0.000 -6.127) 8.329 3.667 ( -9.503 0.000 10.060) 13.839 3.758 ( -17.166 0.000 -0.093) 17.167 3.854 ( -0.937 0.000 -3.122) 3.259 3.900 ( 4.588 0.000 -2.423) 5.188 3.995 ( -3.396 0.000 4.449) 5.597 4.119 ( 1.541 0.000 -2.413) 2.863 4.185 ( 8.847 0.000 5.125) 10.225 4.273 ( 3.424 0.000 -0.840) 3.525 4.326 ( -5.457 0.000 7.076) 8.935 4.460 ( -8.248 0.000 0.780) 8.285 4.506 ( -6.306 0.000 9.726) 11.591 4.553 ( 6.699 0.000 8.595) 10.897 4.575 ( -0.165 0.000 -11.523) 11.525 4.694 ( 2.315 0.000 -2.804) 3.636 4.839 ( 10.676 0.000 0.953) 10.718 4.912 ( -6.081 0.000 -2.417) 6.543 5.024 ( -2.276 0.000 0.835) 2.424 5.238 ( -11.818 0.000 5.680) 13.112 5.291 ( 6.859 0.000 -7.580) 10.223 5.356 ( 4.259 0.000 -1.061) 4.389 5.519 ( 0.247 0.000 5.114) 5.120 5.543 ( 1.098 0.000 -8.230) 8.303 5.575 ( 5.737 0.000 -1.319) 5.887 5.600 ( 1.634 0.000 -1.519) 2.231 5.737 ( 4.922 0.000 0.872) 4.998 5.755 ( -0.823 0.000 1.364) 1.593 5.812 ( -0.606 0.000 -6.005) 6.036 5.822 ( -3.624 0.000 -1.929) 4.106 5.877 ( 4.232 0.000 -1.775) 4.589 5.962 ( -0.607 0.000 -8.627) 8.648 6.026 ( -2.179 0.000 -1.770) 2.808 6.028 ( 4.002 0.000 -3.216) 5.134 6.127 ( 1.608 0.000 -0.490) 1.681 6.192 ( -4.192 0.000 -5.022) 6.542 6.325 ( -4.970 0.000 4.267) 6.550 6.366 ( 4.494 0.000 0.037) 4.494 6.558 ( -6.706 0.000 -7.006) 9.698 6.647 ( 1.194 0.000 1.731) 2.103 6.705 ( -7.729 0.000 8.287) 11.331 6.729 ( 2.722 0.000 3.335) 4.305 6.806 ( 1.468 0.000 3.749) 4.026 7.025 ( -7.513 0.000 8.521) 11.361 7.027 ( -1.883 0.000 8.165) 8.380 7.157 ( 0.332 0.000 1.213) 1.258 7.393 ( -0.437 0.000 1.612) 1.670 7.437 ( -3.156 0.000 1.386) 3.447 7.577 ( -6.258 0.000 2.240) 6.646 7.772 ( 8.146 0.000 0.290) 8.151 7.912 ( 5.726 0.000 -2.801) 6.375 8.094 ( 0.739 0.000 0.310) 0.802 8.140 ( -3.735 0.000 7.045) 7.974 8.156 ( -6.738 0.000 -2.081) 7.051 8.214 ( 1.264 0.000 1.101) 1.676 8.351 ( -1.578 0.000 3.985) 4.286 8.432 ( -2.344 0.000 -9.167) 9.462 8.562 ( -4.518 0.000 2.118) 4.990 8.619 ( 1.819 0.000 4.572) 4.921 8.648 ( 2.385 0.000 -2.953) 3.795 8.746 ( 0.115 0.000 -0.702) 0.711 8.862 ( 1.146 0.000 -5.429) 5.548 8.973 ( 2.604 0.000 -4.311) 5.036 9.021 ( -3.252 0.000 -4.100) 5.234 9.076 ( -0.094 0.000 2.513) 2.515 9.147 ( 6.182 0.000 -3.244) 6.982 9.187 ( -1.418 0.000 1.656) 2.180 9.258 ( 0.691 0.000 -0.389) 0.793 9.259 ( -1.105 0.000 -2.631) 2.854 9.295 ( 3.671 0.000 -2.569) 4.481 9.379 ( 0.950 0.000 0.269) 0.987 9.471 ( -0.839 0.000 1.060) 1.352 9.564 ( -3.546 0.000 -1.334) 3.788 9.766 ( 3.268 0.000 1.335) 3.530 9.801 ( 1.832 0.000 3.983) 4.384 9.933 ( -5.955 0.000 3.035) 6.684 9.967 ( 1.282 0.000 3.265) 3.508 10.029 ( -1.176 0.000 -0.584) 1.313 10.185 ( -2.053 0.000 1.559) 2.578 10.249 ( 3.021 0.000 -1.767) 3.500 10.402 ( -0.661 0.000 -3.684) 3.743 11.270 ( -1.636 0.000 1.556) 2.258 11.302 ( 0.283 0.000 1.164) 1.198 11.303 ( 2.092 0.000 1.012) 2.324 11.344 ( -2.332 0.000 1.803) 2.948 11.425 ( 2.470 0.000 -2.452) 3.481 11.528 ( -2.812 0.000 1.656) 3.264 11.616 ( 0.478 0.000 1.765) 1.829 11.732 ( -1.409 0.000 -1.184) 1.840 11.819 ( 0.279 0.000 -1.644) 1.667 11.842 ( -0.673 0.000 -0.425) 0.796 12.271 ( 0.953 0.000 0.971) 1.361 12.274 ( -0.328 0.000 2.895) 2.914 12.656 ( 1.455 0.000 -0.784) 1.653 12.774 ( 0.500 0.000 0.364) 0.619 12.791 ( -4.290 0.000 3.943) 5.827 12.805 ( -2.093 0.000 -2.452) 3.224 12.927 ( 0.520 0.000 1.826) 1.899 12.966 ( -0.084 0.000 -0.855) 0.859 13.059 ( 2.078 0.000 0.083) 2.079 13.235 ( -1.776 0.000 -2.914) 3.412 13.280 ( 0.140 0.000 0.336) 0.365 13.294 ( 2.656 0.000 3.721) 4.572 13.436 ( 0.292 0.000 -1.671) 1.696 13.476 ( 1.140 0.000 -0.588) 1.283 13.715 ( 1.056 0.000 -0.207) 1.076 13.836 ( 0.691 0.000 0.757) 1.025 13.910 ( -1.262 0.000 -2.403) 2.714 14.005 ( -1.224 0.000 -1.126) 1.663 15.302 ( 1.071 0.000 0.667) 1.261 15.384 ( 0.455 0.000 -1.473) 1.542 15.424 ( 0.020 0.000 1.195) 1.195 15.525 ( 0.262 0.000 -2.240) 2.256 15.718 ( 1.738 0.000 2.075) 2.707 15.795 ( 1.625 0.000 0.079) 1.627 15.932 ( -1.917 0.000 -0.289) 1.939 15.942 ( -0.432 0.000 -1.055) 1.140 15.976 ( 0.805 0.000 -2.879) 2.990 15.997 ( -0.708 0.000 -2.293) 2.400 16.328 ( -1.413 0.000 2.339) 2.732 16.436 ( 0.711 0.000 0.139) 0.725 16.482 ( -0.789 0.000 0.826) 1.143 16.519 ( -1.666 0.000 -0.634) 1.782 16.587 ( 1.746 0.000 -4.307) 4.647 16.602 ( -0.226 0.000 -2.193) 2.204 16.828 ( 1.293 0.000 0.381) 1.348 16.911 ( 0.140 0.000 1.222) 1.230 16.942 ( -1.714 0.000 -0.723) 1.860 16.951 ( -0.817 0.000 0.661) 1.051 17.248 ( -0.903 0.000 2.847) 2.986 17.256 ( 0.642 0.000 -0.084) 0.648 17.277 ( -1.019 0.000 0.780) 1.283 17.372 ( 1.684 0.000 -4.847) 5.131 17.446 ( -1.500 0.000 -0.032) 1.501 17.521 ( -0.202 0.000 4.164) 4.169 17.525 ( -0.647 0.000 3.046) 3.114 17.639 ( 0.031 0.000 -1.874) 1.874 17.998 ( 0.642 0.000 0.594) 0.875 18.097 ( 2.257 0.000 1.991) 3.010 18.114 ( 0.928 0.000 0.137) 0.938 18.227 ( 3.351 0.000 -3.526) 4.864 18.263 ( 2.055 0.000 1.767) 2.710 18.354 ( -1.892 0.000 2.054) 2.792 18.399 ( -1.849 0.000 -2.214) 2.885 18.507 ( -0.600 0.000 -1.018) 1.181 19.045 ( -0.206 0.000 1.191) 1.209 19.151 ( 2.657 0.000 -2.319) 3.527 19.391 ( 1.389 0.000 0.034) 1.389 19.502 ( -4.596 0.000 0.162) 4.599 28.302 ( -0.756 0.000 0.513) 0.914 28.341 ( 0.737 0.000 -1.410) 1.591 28.461 ( -1.453 0.000 5.334) 5.529 28.554 ( 2.575 0.000 -0.476) 2.619 28.860 ( -1.127 0.000 -3.358) 3.542 28.922 ( -0.232 0.000 1.146) 1.169 29.070 ( -0.201 0.000 -0.296) 0.358 29.234 ( -4.231 0.000 -9.881) 10.749 29.406 ( 1.313 0.000 3.911) 4.125 29.482 ( 2.746 0.000 -1.558) 3.157 29.623 ( 1.940 0.000 1.248) 2.307 29.680 ( -0.196 0.000 0.840) 0.863 29.778 ( -0.098 0.000 -0.695) 0.702 29.834 ( -1.494 0.000 -1.825) 2.358 29.862 ( -1.117 0.000 0.822) 1.387 29.914 ( 0.675 0.000 -0.831) 1.071 30.144 ( -0.310 0.000 0.394) 0.501 30.186 ( 0.322 0.000 0.113) 0.341 30.187 ( 2.005 0.000 4.229) 4.680 30.256 ( -1.091 0.000 -2.193) 2.449 30.330 ( 1.213 0.000 -5.316) 5.452 30.522 ( -0.661 0.000 5.035) 5.078 30.558 ( 3.371 0.000 -3.235) 4.672 30.808 ( -3.419 0.000 -0.702) 3.491 30.881 ( -3.425 0.000 3.554) 4.935 30.941 ( 0.758 0.000 4.274) 4.341 30.995 ( -5.263 0.000 -0.274) 5.270 31.138 ( 2.224 0.000 -0.047) 2.224 31.205 ( 2.131 0.000 0.998) 2.353 31.230 ( -1.745 0.000 1.735) 2.461 31.261 ( 9.699 0.000 -5.919) 11.362 31.441 ( -5.783 0.000 -2.023) 6.126 31.629 ( -0.229 0.000 0.201) 0.304 31.635 ( -3.926 0.000 2.055) 4.431 31.647 ( -1.301 0.000 2.044) 2.423 31.733 ( 0.760 0.000 0.885) 1.167 31.824 ( -0.521 0.000 5.167) 5.194 32.065 ( 0.627 0.000 3.031) 3.095 32.726 ( 0.923 0.000 1.817) 2.038 32.794 ( -0.313 0.000 1.404) 1.438 34.027 ( 17.328 0.000 -1.105) 17.363 34.150 ( 2.987 0.000 3.143) 4.336 34.368 ( -11.227 0.000 0.870) 11.261 34.810 ( -5.010 0.000 -8.370) 9.754 34.882 ( -0.958 0.000 2.376) 2.562 35.123 ( 2.506 0.000 -1.546) 2.945 35.321 ( 4.658 0.000 1.701) 4.959 35.857 ( -4.882 0.000 -5.187) 7.123 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -23.876 0.000 -12.113) 26.773 1.884 ( -6.040 0.000 -6.676) 9.003 1.929 ( -14.416 0.000 3.655) 14.872 2.035 ( -16.186 0.000 -0.685) 16.201 2.035 ( 1.954 0.000 0.238) 1.968 2.296 ( 11.828 0.000 -5.287) 12.956 2.432 ( 8.797 0.000 -7.423) 11.510 2.564 ( 10.779 0.000 -2.364) 11.035 2.631 ( 0.457 0.000 -3.667) 3.695 2.701 ( -16.073 0.000 2.750) 16.307 2.814 ( 4.683 0.000 8.392) 9.610 2.857 ( 4.997 0.000 1.834) 5.323 2.899 ( -13.936 0.000 -4.247) 14.568 2.921 ( 2.162 0.000 1.344) 2.546 3.086 ( -10.073 0.000 -5.780) 11.613 3.177 ( -1.078 0.000 -2.809) 3.009 3.180 ( 5.751 0.000 12.795) 14.028 3.397 ( 13.852 0.000 -0.730) 13.872 3.486 ( 9.716 0.000 -1.995) 9.918 3.503 ( 2.859 0.000 -5.034) 5.789 3.595 ( -8.198 0.000 1.535) 8.340 3.740 ( 3.424 0.000 1.778) 3.858 3.748 ( 0.179 0.000 -0.939) 0.956 3.757 ( 4.256 0.000 -2.731) 5.057 3.921 ( 5.845 0.000 3.447) 6.786 3.973 ( -5.164 0.000 3.024) 5.984 4.163 ( -1.811 0.000 2.499) 3.086 4.259 ( -4.015 0.000 -7.045) 8.109 4.338 ( 2.255 0.000 4.396) 4.941 4.351 ( 2.942 0.000 4.408) 5.300 4.423 ( -5.572 0.000 6.648) 8.674 4.457 ( -7.066 0.000 5.707) 9.083 4.547 ( 3.830 0.000 0.645) 3.884 4.616 ( -6.307 0.000 0.445) 6.323 4.738 ( 5.880 0.000 -0.444) 5.897 4.819 ( -0.195 0.000 -1.627) 1.638 4.991 ( -1.155 0.000 -2.707) 2.943 5.019 ( 7.891 0.000 0.665) 7.919 5.157 ( -2.206 0.000 1.246) 2.533 5.313 ( -4.303 0.000 0.558) 4.339 5.383 ( -1.559 0.000 2.702) 3.120 5.421 ( -1.595 0.000 -4.127) 4.425 5.544 ( -1.531 0.000 -3.501) 3.821 5.577 ( 1.206 0.000 -4.319) 4.484 5.618 ( -0.719 0.000 -4.954) 5.006 5.675 ( -8.458 0.000 -0.288) 8.463 5.753 ( 2.154 0.000 -0.784) 2.292 5.776 ( -0.904 0.000 1.483) 1.736 5.803 ( 2.649 0.000 -9.857) 10.207 5.828 ( 2.725 0.000 -0.036) 2.725 5.932 ( 0.977 0.000 0.163) 0.991 5.969 ( -4.829 0.000 -0.205) 4.833 6.083 ( 5.475 0.000 -2.805) 6.152 6.106 ( 2.801 0.000 -5.544) 6.211 6.242 ( 4.495 0.000 4.813) 6.586 6.324 ( 2.682 0.000 3.707) 4.576 6.355 ( -2.549 0.000 -8.715) 9.080 6.421 ( 0.878 0.000 -0.324) 0.936 6.611 ( -7.606 0.000 1.836) 7.825 6.632 ( -2.447 0.000 0.398) 2.480 6.822 ( 2.485 0.000 1.641) 2.978 6.890 ( 1.296 0.000 4.263) 4.456 7.012 ( -2.211 0.000 7.775) 8.083 7.081 ( -0.128 0.000 6.333) 6.334 7.277 ( 5.059 0.000 7.738) 9.245 7.464 ( 4.389 0.000 2.015) 4.829 7.512 ( 5.627 0.000 3.286) 6.516 7.546 ( 1.684 0.000 -0.369) 1.724 7.942 ( 6.035 0.000 3.121) 6.795 7.969 ( -6.386 0.000 -6.034) 8.786 8.045 ( 7.862 0.000 1.557) 8.015 8.072 ( -1.211 0.000 -3.003) 3.238 8.197 ( -0.819 0.000 -0.703) 1.080 8.197 ( -2.342 0.000 11.312) 11.552 8.302 ( 0.037 0.000 -7.791) 7.791 8.403 ( 1.008 0.000 4.982) 5.083 8.534 ( -0.977 0.000 -2.904) 3.064 8.623 ( -0.249 0.000 -4.716) 4.722 8.669 ( 1.221 0.000 2.609) 2.880 8.792 ( -2.330 0.000 -2.734) 3.593 8.817 ( 2.525 0.000 4.468) 5.132 8.892 ( -4.241 0.000 -7.528) 8.640 8.963 ( 4.984 0.000 -5.069) 7.109 9.047 ( -5.516 0.000 0.895) 5.588 9.132 ( 1.649 0.000 -4.840) 5.113 9.187 ( -2.741 0.000 2.397) 3.641 9.272 ( 1.456 0.000 -2.273) 2.699 9.274 ( 2.783 0.000 -2.866) 3.995 9.299 ( 0.327 0.000 1.413) 1.450 9.345 ( -1.509 0.000 -2.263) 2.720 9.526 ( -1.881 0.000 1.940) 2.702 9.550 ( 4.542 0.000 3.020) 5.455 9.808 ( -1.982 0.000 1.090) 2.262 9.839 ( -1.709 0.000 -0.308) 1.737 9.921 ( 1.667 0.000 3.053) 3.479 10.010 ( 2.284 0.000 -0.384) 2.316 10.066 ( 2.355 0.000 6.551) 6.961 10.205 ( 0.688 0.000 2.280) 2.382 10.253 ( 0.024 0.000 -1.707) 1.708 10.322 ( -0.972 0.000 -6.962) 7.029 11.269 ( -1.178 0.000 1.907) 2.242 11.323 ( 0.276 0.000 1.052) 1.087 11.333 ( -0.564 0.000 1.583) 1.680 11.339 ( 0.488 0.000 1.483) 1.561 11.438 ( -6.258 0.000 -1.667) 6.476 11.459 ( 2.459 0.000 1.137) 2.709 11.639 ( -0.648 0.000 2.496) 2.579 11.712 ( 0.629 0.000 -1.944) 2.043 11.809 ( 0.149 0.000 -0.746) 0.761 11.818 ( -0.816 0.000 -1.297) 1.533 12.285 ( -1.818 0.000 1.707) 2.493 12.306 ( 0.818 0.000 1.778) 1.957 12.700 ( 3.674 0.000 0.650) 3.731 12.715 ( -2.370 0.000 -2.941) 3.777 12.778 ( -2.064 0.000 3.077) 3.705 12.833 ( 3.153 0.000 1.911) 3.687 12.933 ( -1.790 0.000 -1.283) 2.203 12.935 ( -0.464 0.000 0.195) 0.503 13.126 ( 2.708 0.000 2.550) 3.719 13.171 ( -2.224 0.000 -2.893) 3.649 13.286 ( -0.292 0.000 1.443) 1.472 13.343 ( -0.931 0.000 -1.612) 1.861 13.409 ( 0.133 0.000 1.296) 1.303 13.452 ( -1.951 0.000 -1.958) 2.764 13.749 ( 1.791 0.000 2.347) 2.952 13.816 ( -3.963 0.000 -4.610) 6.079 13.906 ( 3.800 0.000 2.979) 4.828 13.944 ( -2.261 0.000 -3.401) 4.084 15.326 ( 0.073 0.000 1.317) 1.319 15.364 ( -0.397 0.000 -1.871) 1.913 15.444 ( 0.001 0.000 1.496) 1.496 15.491 ( -0.689 0.000 -2.340) 2.439 15.771 ( 1.006 0.000 2.506) 2.701 15.791 ( -1.693 0.000 -0.244) 1.711 15.898 ( -0.598 0.000 -2.113) 2.196 15.943 ( 2.064 0.000 -3.210) 3.817 15.958 ( 0.937 0.000 -0.584) 1.104 15.968 ( 0.657 0.000 -1.735) 1.855 16.353 ( 0.610 0.000 2.997) 3.059 16.436 ( -0.267 0.000 -0.685) 0.736 16.481 ( -0.609 0.000 1.110) 1.267 16.487 ( -0.389 0.000 -1.462) 1.513 16.563 ( -0.928 0.000 -2.154) 2.345 16.582 ( 2.342 0.000 -2.740) 3.605 16.866 ( 1.692 0.000 1.732) 2.421 16.905 ( -1.013 0.000 -0.774) 1.275 16.934 ( 1.039 0.000 -0.062) 1.041 16.948 ( -0.058 0.000 0.443) 0.447 17.230 ( -2.826 0.000 -0.119) 2.829 17.251 ( -1.481 0.000 1.561) 2.152 17.276 ( -0.521 0.000 0.946) 1.080 17.345 ( 1.180 0.000 -3.596) 3.785 17.433 ( -0.810 0.000 1.598) 1.792 17.514 ( -0.882 0.000 -1.140) 1.442 17.567 ( -0.616 0.000 4.321) 4.364 17.640 ( 0.199 0.000 -0.338) 0.392 18.028 ( -0.367 0.000 3.397) 3.417 18.125 ( -0.426 0.000 0.618) 0.751 18.145 ( 0.260 0.000 1.272) 1.299 18.229 ( 2.682 0.000 -4.690) 5.403 18.306 ( 0.681 0.000 1.261) 1.433 18.342 ( -1.758 0.000 -1.876) 2.571 18.412 ( 3.223 0.000 4.043) 5.170 18.481 ( 0.556 0.000 -3.757) 3.798 19.047 ( -1.355 0.000 1.483) 2.009 19.151 ( 0.934 0.000 -2.676) 2.835 19.439 ( -1.583 0.000 -1.964) 2.523 19.448 ( 3.750 0.000 2.199) 4.347 28.293 ( -0.846 0.000 0.437) 0.952 28.339 ( 0.942 0.000 -1.217) 1.539 28.477 ( -3.813 0.000 4.669) 6.028 28.610 ( 2.841 0.000 1.620) 3.270 28.844 ( 2.487 0.000 -0.584) 2.555 28.882 ( -4.025 0.000 -3.129) 5.098 29.047 ( -1.254 0.000 -1.418) 1.893 29.089 ( 0.728 0.000 -6.394) 6.435 29.441 ( -0.888 0.000 1.341) 1.608 29.481 ( -1.076 0.000 -1.136) 1.565 29.660 ( -2.733 0.000 -0.167) 2.738 29.670 ( 0.963 0.000 2.294) 2.488 29.773 ( 0.558 0.000 -0.296) 0.632 29.787 ( -0.635 0.000 -2.016) 2.114 29.880 ( 1.480 0.000 0.989) 1.780 29.927 ( 1.394 0.000 -1.365) 1.951 30.126 ( -1.198 0.000 1.328) 1.789 30.192 ( 0.429 0.000 0.035) 0.431 30.201 ( -1.974 0.000 -1.982) 2.797 30.223 ( -0.554 0.000 0.616) 0.828 30.410 ( 5.548 0.000 2.128) 5.942 30.504 ( -2.772 0.000 -7.152) 7.670 30.626 ( 5.193 0.000 7.162) 8.847 30.716 ( -1.772 0.000 -4.206) 4.564 30.882 ( -0.540 0.000 3.386) 3.429 30.912 ( -8.674 0.000 4.008) 9.555 31.018 ( 3.535 0.000 3.013) 4.645 31.084 ( -4.243 0.000 -2.391) 4.870 31.222 ( 3.062 0.000 -2.900) 4.217 31.303 ( -2.960 0.000 -3.213) 4.369 31.308 ( 3.931 0.000 4.520) 5.991 31.412 ( 7.891 0.000 -4.747) 9.209 31.595 ( 1.112 0.000 1.043) 1.525 31.638 ( 1.313 0.000 0.565) 1.429 31.677 ( -1.442 0.000 3.385) 3.679 31.746 ( 0.220 0.000 -1.164) 1.185 31.935 ( 1.861 0.000 10.996) 11.153 32.079 ( -1.822 0.000 0.003) 1.822 32.767 ( 0.451 0.000 2.890) 2.925 32.785 ( -2.094 0.000 0.308) 2.117 34.031 ( -14.430 0.000 -2.168) 14.592 34.112 ( -8.233 0.000 5.463) 9.881 34.370 ( 9.288 0.000 1.194) 9.365 34.598 ( -1.634 0.000 -10.003) 10.136 34.955 ( 1.083 0.000 4.608) 4.734 35.075 ( -4.609 0.000 -3.517) 5.798 35.553 ( 11.903 0.000 7.383) 14.007 35.746 ( 2.755 0.000 -11.539) 11.864 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -30.939 0.000 -0.656) 30.946 1.315 ( -35.445 0.000 -6.034) 35.954 1.890 ( -47.617 0.000 -3.739) 47.764 2.004 ( 1.242 0.000 13.271) 13.329 2.064 ( 8.960 0.000 9.766) 13.253 2.097 ( -7.717 0.000 4.929) 9.157 2.410 ( 6.678 0.000 -7.812) 10.277 2.560 ( -0.815 0.000 -5.291) 5.354 2.606 ( 1.479 0.000 -2.321) 2.752 2.611 ( -3.793 0.000 7.531) 8.432 2.793 ( 6.108 0.000 -10.387) 12.050 2.868 ( 2.423 0.000 0.554) 2.485 2.977 ( 6.422 0.000 -1.120) 6.518 2.989 ( 0.151 0.000 4.593) 4.596 3.117 ( 12.069 0.000 2.860) 12.403 3.154 ( -5.703 0.000 -14.219) 15.320 3.200 ( 11.970 0.000 -7.779) 14.276 3.479 ( -2.261 0.000 -0.541) 2.325 3.496 ( -3.190 0.000 4.717) 5.694 3.567 ( -3.836 0.000 -1.415) 4.089 3.623 ( 3.191 0.000 7.523) 8.172 3.724 ( -2.449 0.000 -0.973) 2.635 3.772 ( -0.376 0.000 0.514) 0.637 3.960 ( 8.424 0.000 2.435) 8.769 4.013 ( -3.258 0.000 9.979) 10.497 4.078 ( 4.905 0.000 -1.350) 5.088 4.088 ( 1.031 0.000 -6.850) 6.927 4.111 ( 10.603 0.000 4.492) 11.516 4.340 ( -13.026 0.000 7.529) 15.046 4.373 ( -14.497 0.000 -2.840) 14.772 4.435 ( 4.176 0.000 -2.089) 4.670 4.453 ( 1.954 0.000 1.088) 2.236 4.516 ( 6.261 0.000 4.510) 7.716 4.620 ( 0.166 0.000 -0.246) 0.297 4.793 ( 0.823 0.000 -4.474) 4.549 4.824 ( 3.535 0.000 -1.226) 3.741 4.971 ( 0.210 0.000 1.196) 1.214 5.031 ( -13.876 0.000 -2.358) 14.075 5.114 ( 3.686 0.000 -10.479) 11.108 5.163 ( 1.243 0.000 0.635) 1.396 5.351 ( -8.037 0.000 -4.863) 9.393 5.402 ( -6.717 0.000 7.400) 9.994 5.472 ( 3.204 0.000 2.116) 3.840 5.534 ( 0.643 0.000 -0.764) 0.999 5.570 ( -6.696 0.000 2.535) 7.160 5.608 ( 1.517 0.000 -0.408) 1.571 5.728 ( -1.009 0.000 -4.865) 4.968 5.770 ( -1.538 0.000 1.570) 2.198 5.777 ( -0.064 0.000 0.079) 0.101 5.853 ( -6.658 0.000 0.506) 6.677 5.914 ( 3.545 0.000 0.674) 3.608 5.948 ( 3.872 0.000 -5.243) 6.518 6.074 ( -3.200 0.000 -2.895) 4.315 6.152 ( 5.715 0.000 0.264) 5.721 6.279 ( 4.499 0.000 -6.257) 7.706 6.362 ( 1.791 0.000 7.570) 7.779 6.415 ( -1.516 0.000 -0.652) 1.650 6.467 ( 6.398 0.000 -0.410) 6.411 6.542 ( -1.162 0.000 2.659) 2.901 6.618 ( -2.229 0.000 4.509) 5.029 6.903 ( 5.919 0.000 1.146) 6.029 6.947 ( 3.498 0.000 -1.578) 3.838 7.131 ( 5.419 0.000 6.355) 8.352 7.214 ( 2.857 0.000 12.658) 12.976 7.395 ( 0.383 0.000 -0.045) 0.386 7.526 ( 5.618 0.000 -5.460) 7.834 7.632 ( 9.102 0.000 -3.316) 9.688 7.633 ( 5.993 0.000 1.403) 6.155 7.844 ( 0.684 0.000 -1.842) 1.965 7.879 ( -2.568 0.000 -8.690) 9.062 8.116 ( -2.367 0.000 8.929) 9.237 8.140 ( 5.910 0.000 -8.494) 10.348 8.239 ( -1.233 0.000 -3.701) 3.901 8.250 ( 2.504 0.000 6.141) 6.632 8.313 ( 2.002 0.000 8.197) 8.438 8.429 ( 0.443 0.000 -5.823) 5.840 8.544 ( 1.521 0.000 7.330) 7.486 8.571 ( 0.707 0.000 -5.672) 5.716 8.667 ( -4.971 0.000 -4.957) 7.020 8.706 ( -1.222 0.000 -1.874) 2.238 8.758 ( -2.319 0.000 2.757) 3.603 8.901 ( 1.406 0.000 2.987) 3.302 8.947 ( -7.016 0.000 -0.175) 7.018 9.013 ( 2.073 0.000 -0.586) 2.154 9.077 ( -0.819 0.000 -5.648) 5.707 9.171 ( -0.509 0.000 1.452) 1.538 9.226 ( -4.073 0.000 -3.396) 5.303 9.294 ( 3.733 0.000 -1.618) 4.069 9.331 ( 3.714 0.000 -1.988) 4.213 9.346 ( 0.981 0.000 2.372) 2.566 9.520 ( -3.099 0.000 4.673) 5.607 9.631 ( 1.875 0.000 0.503) 1.941 9.768 ( -2.038 0.000 -0.126) 2.041 9.773 ( -0.839 0.000 -4.895) 4.966 9.980 ( 0.493 0.000 0.725) 0.877 10.066 ( 0.813 0.000 2.812) 2.927 10.158 ( 3.738 0.000 -1.280) 3.951 10.197 ( -0.438 0.000 -6.221) 6.236 10.249 ( 0.372 0.000 3.966) 3.984 10.272 ( 2.370 0.000 -2.008) 3.106 11.248 ( -5.213 0.000 2.670) 5.857 11.322 ( -2.681 0.000 -0.922) 2.835 11.329 ( 0.443 0.000 -0.767) 0.886 11.357 ( 1.499 0.000 0.139) 1.505 11.380 ( 0.681 0.000 1.547) 1.690 11.539 ( 1.801 0.000 4.902) 5.222 11.671 ( 0.074 0.000 6.430) 6.431 11.692 ( 0.292 0.000 -2.880) 2.894 11.799 ( 0.480 0.000 -0.587) 0.758 11.805 ( -0.791 0.000 1.568) 1.756 12.257 ( -2.394 0.000 0.164) 2.400 12.325 ( -0.370 0.000 0.472) 0.600 12.664 ( -0.620 0.000 -1.073) 1.239 12.776 ( 1.107 0.000 0.451) 1.195 12.786 ( 2.420 0.000 1.171) 2.688 12.904 ( -1.497 0.000 2.570) 2.974 12.922 ( 2.407 0.000 0.764) 2.525 12.939 ( 2.450 0.000 2.560) 3.544 13.080 ( -3.451 0.000 -4.896) 5.990 13.185 ( 1.343 0.000 1.866) 2.299 13.279 ( -2.335 0.000 -1.467) 2.758 13.308 ( -0.624 0.000 3.250) 3.310 13.378 ( -3.586 0.000 -2.202) 4.208 13.448 ( 0.830 0.000 1.674) 1.868 13.696 ( -4.612 0.000 -2.673) 5.331 13.824 ( 2.445 0.000 3.791) 4.512 13.877 ( -0.808 0.000 -2.840) 2.953 13.995 ( 2.563 0.000 1.961) 3.227 15.329 ( -0.580 0.000 -2.360) 2.431 15.332 ( -0.726 0.000 1.003) 1.238 15.447 ( -1.851 0.000 1.621) 2.461 15.461 ( -0.017 0.000 -1.367) 1.367 15.747 ( -2.432 0.000 -0.757) 2.547 15.798 ( -0.254 0.000 0.369) 0.448 15.869 ( -0.142 0.000 -1.085) 1.094 15.926 ( 0.693 0.000 -1.570) 1.717 15.987 ( 2.668 0.000 -0.381) 2.695 16.005 ( 3.586 0.000 -0.058) 3.586 16.398 ( 0.114 0.000 1.663) 1.666 16.408 ( -1.518 0.000 -0.594) 1.630 16.483 ( 1.959 0.000 -2.464) 3.148 16.492 ( 0.218 0.000 2.319) 2.329 16.537 ( -0.433 0.000 0.653) 0.784 16.589 ( 1.130 0.000 -1.459) 1.845 16.878 ( -0.086 0.000 -2.386) 2.387 16.919 ( 1.791 0.000 1.636) 2.426 16.951 ( 0.681 0.000 0.356) 0.769 16.965 ( 1.482 0.000 0.527) 1.573 17.188 ( -3.136 0.000 2.413) 3.957 17.245 ( -0.755 0.000 0.831) 1.123 17.278 ( -0.822 0.000 1.501) 1.712 17.334 ( 1.460 0.000 -1.916) 2.408 17.463 ( 0.277 0.000 5.037) 5.044 17.482 ( -1.239 0.000 -1.349) 1.832 17.588 ( -2.027 0.000 2.785) 3.444 17.617 ( -1.226 0.000 -1.794) 2.173 18.056 ( -1.555 0.000 3.753) 4.063 18.101 ( -2.407 0.000 -0.654) 2.494 18.115 ( -1.350 0.000 -3.671) 3.911 18.208 ( 2.445 0.000 -8.284) 8.637 18.316 ( -1.325 0.000 2.695) 3.003 18.349 ( 2.943 0.000 1.385) 3.253 18.418 ( -0.155 0.000 -8.894) 8.895 18.494 ( 1.746 0.000 1.965) 2.628 19.036 ( -2.022 0.000 1.673) 2.625 19.128 ( 0.249 0.000 -2.740) 2.752 19.393 ( -0.305 0.000 -4.155) 4.166 19.558 ( 5.291 0.000 2.576) 5.885 28.287 ( -0.623 0.000 0.877) 1.076 28.344 ( 1.055 0.000 -0.860) 1.361 28.455 ( -3.200 0.000 2.683) 4.176 28.650 ( 0.063 0.000 -1.480) 1.481 28.783 ( -2.176 0.000 -0.604) 2.258 28.929 ( 2.845 0.000 6.423) 7.025 29.006 ( -1.660 0.000 0.705) 1.804 29.092 ( 3.813 0.000 -1.787) 4.211 29.417 ( -2.441 0.000 -0.104) 2.443 29.418 ( -4.712 0.000 -0.709) 4.765 29.587 ( -4.493 0.000 -0.934) 4.589 29.707 ( 1.063 0.000 0.726) 1.287 29.774 ( 0.712 0.000 -0.607) 0.936 29.800 ( 2.093 0.000 1.494) 2.571 29.910 ( 1.165 0.000 -0.622) 1.321 29.922 ( 0.386 0.000 -1.742) 1.784 30.141 ( -0.021 0.000 2.392) 2.392 30.145 ( -3.259 0.000 -0.294) 3.272 30.210 ( 0.728 0.000 1.417) 1.593 30.231 ( 0.656 0.000 0.617) 0.901 30.363 ( -0.567 0.000 -9.304) 9.322 30.477 ( 0.915 0.000 0.644) 1.119 30.646 ( -1.307 0.000 -4.774) 4.950 30.772 ( 1.654 0.000 3.873) 4.211 30.793 ( -10.622 0.000 4.771) 11.644 30.945 ( -3.194 0.000 1.159) 3.398 31.051 ( 9.047 0.000 3.899) 9.852 31.131 ( 5.030 0.000 3.516) 6.137 31.235 ( 4.981 0.000 -7.260) 8.805 31.246 ( 1.244 0.000 -3.177) 3.412 31.420 ( 2.337 0.000 4.713) 5.260 31.435 ( 3.240 0.000 -4.674) 5.687 31.656 ( -2.422 0.000 0.880) 2.576 31.683 ( 0.469 0.000 2.252) 2.301 31.700 ( 5.295 0.000 1.395) 5.476 31.740 ( 2.472 0.000 -1.054) 2.687 32.003 ( -3.143 0.000 -4.779) 5.720 32.080 ( 1.900 0.000 6.089) 6.379 32.726 ( -4.903 0.000 -0.490) 4.928 32.803 ( 0.212 0.000 2.163) 2.173 33.708 ( -19.571 0.000 -1.253) 19.611 34.144 ( -4.958 0.000 24.977) 25.464 34.504 ( 5.967 0.000 -2.875) 6.624 34.557 ( 4.902 0.000 -2.814) 5.652 34.919 ( -7.671 0.000 -3.421) 8.399 34.987 ( -2.316 0.000 2.376) 3.318 35.623 ( 4.323 0.000 -24.188) 24.571 35.825 ( 10.849 0.000 5.152) 12.010 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -36.813 0.000 5.410) 37.209 0.681 ( -30.420 0.000 17.350) 35.020 1.068 ( -49.360 0.000 22.200) 54.123 1.971 ( -10.140 0.000 -8.889) 13.484 2.164 ( 1.049 0.000 6.754) 6.835 2.302 ( 2.399 0.000 -9.766) 10.057 2.385 ( -8.864 0.000 4.982) 10.168 2.448 ( 6.432 0.000 14.046) 15.448 2.598 ( -1.081 0.000 -0.274) 1.116 2.664 ( 7.874 0.000 -0.797) 7.914 2.848 ( -5.246 0.000 -12.242) 13.319 2.930 ( 12.518 0.000 -6.911) 14.299 2.998 ( 1.096 0.000 5.041) 5.159 3.049 ( 5.238 0.000 2.811) 5.944 3.051 ( 3.755 0.000 1.745) 4.140 3.287 ( 5.782 0.000 -1.739) 6.037 3.319 ( 5.133 0.000 -4.568) 6.871 3.376 ( -10.865 0.000 -10.072) 14.816 3.432 ( -1.099 0.000 3.427) 3.599 3.560 ( -7.753 0.000 -0.895) 7.804 3.637 ( 6.661 0.000 1.785) 6.896 3.667 ( 9.343 0.000 -4.112) 10.208 3.799 ( -1.014 0.000 -2.108) 2.339 3.932 ( -9.174 0.000 7.635) 11.935 4.008 ( -5.006 0.000 -4.113) 6.479 4.024 ( 1.331 0.000 -1.244) 1.822 4.119 ( -9.743 0.000 -4.577) 10.765 4.251 ( -0.790 0.000 4.563) 4.631 4.302 ( 8.007 0.000 -12.125) 14.531 4.335 ( 8.496 0.000 4.540) 9.633 4.449 ( -3.773 0.000 6.223) 7.278 4.543 ( -3.623 0.000 2.554) 4.433 4.611 ( 2.864 0.000 1.327) 3.156 4.656 ( 12.690 0.000 4.517) 13.470 4.721 ( -10.411 0.000 1.890) 10.581 4.825 ( 1.211 0.000 -5.439) 5.572 4.901 ( 2.879 0.000 7.169) 7.726 4.951 ( -0.253 0.000 -2.131) 2.146 5.093 ( 2.824 0.000 -3.957) 4.861 5.193 ( -3.428 0.000 0.129) 3.431 5.220 ( 3.134 0.000 -1.079) 3.314 5.386 ( -6.646 0.000 7.457) 9.989 5.436 ( -5.194 0.000 -8.758) 10.182 5.506 ( -4.845 0.000 3.331) 5.880 5.563 ( -1.326 0.000 -0.254) 1.351 5.586 ( -3.407 0.000 -0.927) 3.531 5.650 ( -5.867 0.000 3.843) 7.014 5.718 ( -4.835 0.000 3.539) 5.991 5.817 ( 6.353 0.000 -6.125) 8.825 5.843 ( -0.683 0.000 3.684) 3.746 5.935 ( 1.363 0.000 1.793) 2.252 5.957 ( 1.591 0.000 1.972) 2.534 5.991 ( -1.369 0.000 -1.515) 2.042 6.248 ( 2.556 0.000 0.552) 2.615 6.324 ( 6.606 0.000 -4.353) 7.911 6.370 ( -3.512 0.000 2.106) 4.095 6.403 ( -2.271 0.000 -3.142) 3.876 6.525 ( 3.190 0.000 5.632) 6.473 6.621 ( 2.918 0.000 1.235) 3.169 6.622 ( -4.512 0.000 4.139) 6.123 6.984 ( 4.701 0.000 -2.760) 5.452 7.016 ( 5.454 0.000 0.008) 5.454 7.302 ( -2.829 0.000 -3.114) 4.207 7.321 ( 10.151 0.000 2.286) 10.405 7.426 ( 6.648 0.000 -2.207) 7.004 7.450 ( 0.409 0.000 -15.154) 15.160 7.745 ( 2.090 0.000 -1.348) 2.487 7.749 ( 6.520 0.000 -2.068) 6.840 7.860 ( 6.330 0.000 2.515) 6.812 7.931 ( 7.595 0.000 -1.076) 7.671 8.058 ( -5.568 0.000 -8.010) 9.755 8.124 ( 5.964 0.000 -3.976) 7.168 8.242 ( -1.519 0.000 10.479) 10.588 8.306 ( -1.376 0.000 -6.028) 6.183 8.372 ( -2.019 0.000 4.838) 5.243 8.409 ( 0.728 0.000 2.425) 2.532 8.484 ( -5.239 0.000 2.808) 5.944 8.504 ( -2.128 0.000 -3.031) 3.703 8.710 ( 2.466 0.000 3.329) 4.143 8.733 ( 1.524 0.000 3.724) 4.024 8.765 ( -4.004 0.000 8.292) 9.208 8.819 ( -2.674 0.000 -3.312) 4.257 8.919 ( -1.195 0.000 -0.375) 1.252 9.020 ( -10.431 0.000 -0.748) 10.458 9.029 ( 1.967 0.000 -0.668) 2.077 9.062 ( 0.341 0.000 -0.161) 0.377 9.170 ( -1.669 0.000 -0.061) 1.670 9.338 ( -0.686 0.000 -5.080) 5.126 9.360 ( 3.324 0.000 1.201) 3.534 9.407 ( 5.924 0.000 -0.668) 5.962 9.580 ( 1.961 0.000 11.451) 11.617 9.655 ( 0.035 0.000 0.366) 0.368 9.724 ( 2.260 0.000 -3.951) 4.552 9.748 ( 0.310 0.000 2.083) 2.106 9.965 ( -0.630 0.000 -0.510) 0.811 10.072 ( -3.375 0.000 1.689) 3.774 10.157 ( 1.242 0.000 -4.739) 4.899 10.160 ( 2.512 0.000 -3.166) 4.042 10.287 ( -1.997 0.000 3.423) 3.963 10.306 ( 3.217 0.000 -2.206) 3.901 11.184 ( -5.501 0.000 3.477) 6.508 11.294 ( -0.107 0.000 -0.501) 0.513 11.319 ( 0.775 0.000 -2.344) 2.468 11.380 ( 1.703 0.000 -1.293) 2.138 11.410 ( -1.037 0.000 3.045) 3.217 11.567 ( -0.481 0.000 -0.771) 0.909 11.669 ( 1.074 0.000 -2.193) 2.442 11.761 ( 0.930 0.000 1.102) 1.442 11.825 ( 2.203 0.000 0.328) 2.227 11.922 ( 7.163 0.000 8.503) 11.119 12.223 ( -1.418 0.000 0.463) 1.492 12.305 ( -1.019 0.000 -1.418) 1.746 12.682 ( 2.664 0.000 1.694) 3.157 12.765 ( 0.246 0.000 -1.334) 1.356 12.848 ( 0.671 0.000 2.378) 2.471 12.931 ( 0.237 0.000 0.047) 0.242 12.945 ( -1.291 0.000 -3.490) 3.721 12.963 ( -0.500 0.000 2.551) 2.599 13.046 ( 3.457 0.000 -4.541) 5.707 13.225 ( -0.028 0.000 1.514) 1.514 13.243 ( -1.299 0.000 0.403) 1.360 13.271 ( -2.062 0.000 -3.114) 3.735 13.344 ( -1.845 0.000 2.634) 3.216 13.459 ( 0.159 0.000 -1.405) 1.414 13.622 ( -2.365 0.000 0.809) 2.500 13.859 ( 0.721 0.000 -0.035) 0.722 13.892 ( 0.109 0.000 1.312) 1.316 14.028 ( 0.369 0.000 0.060) 0.374 15.302 ( 0.590 0.000 -1.988) 2.073 15.338 ( 0.297 0.000 1.227) 1.263 15.426 ( -2.809 0.000 2.109) 3.513 15.459 ( 0.541 0.000 0.031) 0.542 15.701 ( -1.019 0.000 -2.049) 2.288 15.734 ( -4.523 0.000 -6.735) 8.113 15.879 ( 0.546 0.000 2.367) 2.429 15.948 ( 0.290 0.000 3.273) 3.286 16.031 ( 2.303 0.000 -0.053) 2.304 16.052 ( 2.541 0.000 -1.165) 2.795 16.378 ( -2.432 0.000 -0.140) 2.436 16.398 ( -0.591 0.000 1.783) 1.878 16.481 ( 1.542 0.000 -2.075) 2.585 16.541 ( 1.017 0.000 2.369) 2.578 16.563 ( 1.025 0.000 0.821) 1.314 16.587 ( 0.268 0.000 -0.535) 0.599 16.855 ( 1.383 0.000 -1.183) 1.820 16.945 ( 0.665 0.000 -0.755) 1.006 16.963 ( 0.066 0.000 0.515) 0.520 17.002 ( 1.332 0.000 0.430) 1.400 17.181 ( -2.148 0.000 2.171) 3.054 17.243 ( -0.112 0.000 -0.232) 0.257 17.286 ( -0.999 0.000 2.238) 2.450 17.351 ( 2.010 0.000 -0.493) 2.069 17.446 ( -1.517 0.000 -0.429) 1.576 17.545 ( -0.800 0.000 -0.202) 0.825 17.576 ( -0.655 0.000 -1.409) 1.554 17.610 ( 1.708 0.000 4.188) 4.523 18.016 ( -2.094 0.000 -7.378) 7.669 18.027 ( -2.572 0.000 -1.821) 3.152 18.077 ( -1.268 0.000 2.179) 2.521 18.090 ( -2.487 0.000 -3.023) 3.915 18.280 ( -0.800 0.000 -4.070) 4.147 18.389 ( 2.713 0.000 7.235) 7.727 18.430 ( 3.490 0.000 2.443) 4.260 18.510 ( -1.115 0.000 -0.018) 1.116 19.020 ( -1.906 0.000 1.268) 2.289 19.102 ( 0.679 0.000 -2.772) 2.854 19.328 ( -1.738 0.000 0.172) 1.747 19.655 ( 2.963 0.000 0.983) 3.122 28.289 ( -0.570 0.000 0.846) 1.020 28.353 ( 0.899 0.000 -0.677) 1.125 28.445 ( -1.291 0.000 1.155) 1.732 28.597 ( 0.295 0.000 -5.168) 5.176 28.787 ( -2.181 0.000 4.861) 5.328 28.941 ( -0.726 0.000 -1.759) 1.903 29.154 ( 5.027 0.000 -0.767) 5.085 29.240 ( 11.586 0.000 19.685) 22.841 29.344 ( -2.219 0.000 3.120) 3.829 29.369 ( -2.479 0.000 -0.567) 2.543 29.516 ( -2.798 0.000 0.355) 2.820 29.699 ( -1.648 0.000 -4.050) 4.373 29.789 ( 1.055 0.000 0.354) 1.113 29.864 ( 1.753 0.000 1.569) 2.353 29.906 ( 0.302 0.000 0.024) 0.303 29.911 ( 0.125 0.000 -0.285) 0.311 30.078 ( -2.615 0.000 -1.686) 3.111 30.160 ( -0.554 0.000 0.949) 1.099 30.227 ( 0.597 0.000 -0.773) 0.977 30.248 ( 0.034 0.000 0.444) 0.446 30.345 ( 6.097 0.000 4.522) 7.591 30.475 ( -0.117 0.000 -0.634) 0.645 30.559 ( -3.867 0.000 0.304) 3.879 30.699 ( -5.662 0.000 3.188) 6.498 30.801 ( -0.597 0.000 0.127) 0.610 30.902 ( -2.444 0.000 2.601) 3.569 31.195 ( 1.584 0.000 -6.900) 7.080 31.224 ( 4.407 0.000 -1.177) 4.561 31.267 ( 6.151 0.000 -0.051) 6.151 31.312 ( 6.455 0.000 -0.858) 6.511 31.477 ( 10.464 0.000 -3.479) 11.027 31.488 ( 0.087 0.000 3.209) 3.210 31.584 ( -6.100 0.000 0.878) 6.162 31.697 ( 1.852 0.000 0.260) 1.870 31.799 ( 4.574 0.000 0.155) 4.577 31.805 ( 2.404 0.000 1.717) 2.954 31.896 ( -2.041 0.000 -5.046) 5.443 32.085 ( -3.185 0.000 -7.575) 8.218 32.614 ( -7.612 0.000 0.372) 7.621 32.812 ( -0.697 0.000 -0.972) 1.196 33.403 ( -13.389 0.000 -1.288) 13.451 33.999 ( -31.373 0.000 -51.234) 60.077 34.649 ( 5.416 0.000 1.161) 5.539 34.766 ( -1.340 0.000 1.381) 1.924 34.947 ( -3.670 0.000 0.951) 3.791 34.974 ( 24.364 0.000 42.971) 49.398 35.288 ( -3.252 0.000 -7.796) 8.447 36.015 ( 5.367 0.000 3.377) 6.341 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 1.255 12.040 29.088) 31.507 0.947 ( 8.276 23.486 23.338) 34.128 1.371 ( -2.482 31.021 29.108) 42.611 1.778 ( -5.081 13.780 -16.625) 22.183 2.099 ( 0.804 3.048 -22.326) 22.548 2.225 ( -4.532 1.906 -1.990) 5.304 2.408 ( -3.314 0.963 6.279) 7.164 2.514 ( -7.469 -5.107 8.857) 12.662 2.606 ( 3.233 -4.433 -5.965) 8.105 2.688 ( 0.146 4.138 -1.437) 4.383 2.842 ( 1.203 -0.173 0.430) 1.289 2.919 ( -0.478 -2.553 -7.483) 7.920 2.960 ( 7.582 -7.759 -5.121) 11.996 3.062 ( 2.296 -2.442 8.036) 8.707 3.100 ( -1.106 -2.608 0.003) 2.833 3.255 ( 6.468 -3.665 -10.444) 12.819 3.368 ( -2.775 7.496 -12.789) 15.081 3.415 ( -0.515 0.656 -1.470) 1.690 3.469 ( 6.387 1.094 2.912) 7.104 3.554 ( 2.363 1.608 -0.085) 2.860 3.579 ( -3.461 -1.693 -0.448) 3.879 3.654 ( -9.517 4.659 2.443) 10.874 3.744 ( -0.027 -2.834 -2.465) 3.756 3.851 ( 1.730 7.988 3.405) 8.854 3.897 ( -3.569 -1.791 2.333) 4.624 4.063 ( 3.058 1.190 -6.271) 7.077 4.088 ( 3.500 -1.376 0.143) 3.763 4.221 ( 3.825 -5.899 -1.702) 7.233 4.257 ( -2.830 0.172 3.374) 4.407 4.348 ( 2.036 4.054 2.063) 4.983 4.425 ( -5.015 -3.092 -2.067) 6.244 4.546 ( -10.760 3.048 7.826) 13.649 4.628 ( -1.128 2.271 3.399) 4.240 4.707 ( -0.593 -2.049 -1.626) 2.682 4.827 ( 2.589 -3.146 -2.147) 4.605 4.881 ( -2.221 5.949 -0.043) 6.350 5.003 ( 8.611 -0.644 -2.817) 9.083 5.049 ( 4.847 2.252 9.608) 10.994 5.120 ( 2.113 -1.699 -1.016) 2.896 5.246 ( 2.959 3.954 1.946) 5.308 5.313 ( -1.267 3.584 7.499) 8.407 5.330 ( -1.872 -3.856 -1.389) 4.506 5.416 ( -6.918 -2.311 0.345) 7.302 5.444 ( 5.283 -1.036 4.152) 6.799 5.472 ( 0.485 4.123 -0.305) 4.162 5.572 ( -2.633 4.123 -0.388) 4.907 5.651 ( -2.079 1.976 2.825) 4.026 5.729 ( 2.111 -0.461 -0.549) 2.229 5.775 ( 1.629 -1.778 2.099) 3.197 5.811 ( 1.506 -1.400 -2.089) 2.931 5.970 ( -1.012 -1.063 2.109) 2.569 6.030 ( 1.162 1.088 3.445) 3.795 6.085 ( 1.243 2.248 4.825) 5.466 6.158 ( 1.674 -7.191 -5.683) 9.317 6.281 ( -1.909 1.765 -2.858) 3.863 6.361 ( 2.349 -1.743 -2.356) 3.756 6.408 ( -4.038 -0.679 -0.848) 4.182 6.488 ( -2.466 -3.509 -0.569) 4.327 6.589 ( -3.670 -1.793 -0.164) 4.088 6.728 ( 1.182 0.391 3.948) 4.139 6.846 ( -3.938 -5.573 -4.715) 8.295 6.987 ( -1.061 -5.082 1.562) 5.422 7.179 ( -4.584 2.841 -6.112) 8.151 7.220 ( -2.030 -3.242 -8.624) 9.435 7.320 ( 4.925 -4.821 1.484) 7.050 7.535 ( 11.406 -1.861 3.132) 11.973 7.628 ( -2.820 -9.049 -6.024) 11.230 7.747 ( -5.100 -4.020 -5.632) 8.596 7.868 ( -1.451 1.775 3.128) 3.879 7.926 ( 2.930 -4.312 1.456) 5.413 8.114 ( 4.838 3.917 4.634) 7.760 8.178 ( -1.744 -5.427 -1.653) 5.935 8.252 ( 0.302 0.028 2.470) 2.489 8.336 ( 0.550 6.056 -5.962) 8.516 8.386 ( 0.564 -0.948 -2.709) 2.925 8.412 ( 1.325 -5.129 -0.935) 5.379 8.440 ( -6.248 4.949 0.023) 7.970 8.553 ( 5.301 3.079 -1.711) 6.365 8.632 ( 1.035 -2.484 2.798) 3.882 8.745 ( -6.374 -0.848 2.856) 7.036 8.792 ( 2.771 0.513 6.116) 6.734 8.827 ( -2.696 -2.343 -2.691) 4.473 8.946 ( 4.817 0.221 3.354) 5.874 8.997 ( -1.486 -0.649 3.424) 3.788 9.135 ( -1.915 5.326 0.106) 5.661 9.166 ( -0.231 3.279 -1.768) 3.733 9.224 ( 1.961 2.658 -0.260) 3.313 9.317 ( 2.954 6.017 -1.030) 6.782 9.369 ( 0.811 3.154 -0.082) 3.258 9.493 ( 0.544 2.414 1.084) 2.701 9.589 ( 1.201 -1.866 -0.985) 2.428 9.603 ( -2.502 -1.852 4.658) 5.602 9.772 ( -1.059 -4.137 4.548) 6.239 9.882 ( 3.473 2.783 -2.294) 5.007 9.972 ( 0.179 -0.511 2.212) 2.278 10.010 ( -3.899 -0.596 -0.312) 3.956 10.125 ( 0.971 -4.235 0.883) 4.433 10.240 ( 2.292 -2.710 -2.232) 4.193 10.286 ( -1.625 3.961 -1.365) 4.494 10.537 ( 7.195 8.447 -9.915) 14.880 11.193 ( -0.063 2.693 0.872) 2.832 11.264 ( 1.333 -2.807 -0.039) 3.107 11.325 ( 1.410 0.453 -0.558) 1.583 11.352 ( -2.449 0.160 -0.199) 2.462 11.410 ( -2.461 -0.038 2.217) 3.313 11.549 ( -0.521 0.579 -2.587) 2.702 11.636 ( -1.410 -3.538 1.571) 4.120 11.681 ( -7.859 -3.434 2.303) 8.880 11.862 ( 0.890 1.619 -0.999) 2.100 11.877 ( -0.729 0.284 -2.714) 2.824 12.192 ( -1.936 -1.231 -1.235) 2.605 12.234 ( 1.052 -4.248 -1.866) 4.757 12.686 ( 0.905 -0.745 1.817) 2.162 12.769 ( 0.111 0.090 -1.204) 1.212 12.794 ( -2.577 -1.012 -0.899) 2.911 12.853 ( -1.598 2.002 -3.539) 4.369 12.908 ( -2.359 2.307 0.530) 3.342 12.932 ( 0.387 -0.128 0.296) 0.504 13.064 ( 2.787 0.019 4.391) 5.200 13.181 ( 0.328 -0.671 -2.246) 2.367 13.204 ( -0.501 -1.921 -2.274) 3.019 13.249 ( -1.878 -3.654 -2.490) 4.804 13.310 ( 0.124 -0.409 1.872) 1.920 13.426 ( -0.256 -1.450 -2.685) 3.062 13.648 ( 1.184 1.372 3.130) 3.617 13.807 ( -1.367 -1.681 -2.829) 3.563 13.919 ( 0.929 0.868 2.574) 2.871 14.035 ( -1.236 1.078 -1.953) 2.550 15.315 ( 2.029 0.672 -0.782) 2.276 15.349 ( -1.867 3.004 -1.689) 3.919 15.398 ( -1.217 -1.643 2.002) 2.861 15.451 ( 0.300 -0.831 -0.955) 1.301 15.686 ( 2.055 3.644 -0.343) 4.197 15.721 ( -1.161 4.234 -1.516) 4.645 15.920 ( 0.712 -1.540 4.557) 4.863 15.959 ( -0.299 -1.577 2.387) 2.877 16.050 ( 0.432 -1.642 -0.947) 1.944 16.063 ( 0.537 -0.213 -0.190) 0.608 16.361 ( 1.705 1.615 -0.966) 2.540 16.374 ( -3.618 1.782 -1.785) 4.410 16.488 ( 0.407 -0.394 2.063) 2.139 16.529 ( 1.913 -2.335 0.615) 3.080 16.608 ( 0.541 1.904 -1.008) 2.221 16.622 ( -3.678 2.602 -2.184) 5.007 16.897 ( 2.158 -0.236 -0.671) 2.272 16.940 ( -0.603 0.068 -2.219) 2.300 16.980 ( 0.455 0.661 1.186) 1.432 17.001 ( -0.753 0.189 -0.211) 0.804 17.173 ( -0.978 2.426 1.830) 3.192 17.219 ( -0.245 -1.441 -0.893) 1.713 17.281 ( -0.759 -0.062 1.395) 1.590 17.361 ( 2.174 -1.990 1.005) 3.114 17.414 ( -2.510 -0.673 0.740) 2.702 17.430 ( -4.478 -2.004 2.691) 5.596 17.528 ( 0.087 0.018 -1.275) 1.278 17.566 ( 2.059 -0.713 -0.028) 2.179 17.974 ( -0.348 -0.181 -2.071) 2.108 18.063 ( 0.894 -0.294 -2.981) 3.126 18.076 ( -0.535 -0.126 1.740) 1.824 18.110 ( 3.803 -0.523 -0.439) 3.864 18.331 ( 1.493 -0.824 3.567) 3.954 18.437 ( 0.686 -2.353 0.657) 2.538 18.502 ( -0.228 0.423 3.358) 3.392 18.576 ( 3.193 -0.989 3.268) 4.675 19.038 ( -1.011 2.724 0.492) 2.947 19.120 ( 1.436 3.220 -3.018) 4.641 19.413 ( 4.973 -6.702 7.860) 11.464 19.617 ( -2.069 -4.228 -2.065) 5.140 28.317 ( -0.649 3.003 1.228) 3.308 28.384 ( 0.586 1.270 1.551) 2.089 28.445 ( -0.884 2.507 -2.806) 3.866 28.599 ( 2.084 2.095 -5.433) 6.185 28.824 ( -0.196 1.525 2.067) 2.576 28.928 ( 1.550 -0.122 -1.298) 2.025 29.146 ( -0.791 -5.602 3.769) 6.798 29.175 ( -4.645 -5.337 2.075) 7.374 29.413 ( 0.480 9.493 -0.245) 9.509 29.461 ( -2.800 3.146 -3.519) 5.488 29.520 ( 1.033 0.577 2.429) 2.702 29.665 ( -0.554 2.105 -2.990) 3.699 29.792 ( -2.053 -1.922 2.003) 3.452 29.849 ( -0.216 0.318 -1.407) 1.459 29.924 ( -0.592 -2.491 1.197) 2.827 29.948 ( 0.911 0.344 -0.563) 1.125 30.077 ( 1.658 2.610 1.694) 3.526 30.184 ( -2.349 2.813 -2.131) 4.239 30.234 ( -0.594 0.640 0.020) 0.874 30.252 ( 1.186 0.516 -0.787) 1.514 30.499 ( -2.081 -0.040 1.230) 2.418 30.520 ( 0.815 2.328 0.566) 2.530 30.595 ( 6.581 -6.452 6.488) 11.271 30.677 ( -0.501 -0.109 0.497) 0.714 30.816 ( -2.988 -0.640 3.049) 4.317 31.006 ( 2.570 -1.017 -6.802) 7.342 31.128 ( 3.807 0.011 1.879) 4.245 31.208 ( -1.510 -3.688 -1.326) 4.200 31.338 ( 3.588 -0.168 -4.184) 5.514 31.366 ( 1.790 1.738 -6.123) 6.612 31.436 ( -15.523 2.603 1.993) 15.866 31.503 ( 1.172 -1.578 0.887) 2.156 31.552 ( -4.318 0.996 1.633) 4.723 31.607 ( 7.336 -4.796 -3.517) 9.444 31.807 ( -1.599 -0.775 1.721) 2.474 31.831 ( 0.462 5.599 -0.956) 5.699 31.921 ( 3.697 3.410 -1.149) 5.159 32.007 ( -1.737 3.456 -5.679) 6.871 32.610 ( -0.920 6.114 0.745) 6.228 32.747 ( -0.780 2.546 -5.735) 6.323 33.359 ( 5.787 18.213 -5.842) 19.983 33.404 ( -11.404 20.980 -8.673) 25.405 34.635 ( -4.439 -7.717 0.868) 8.945 34.652 ( 1.393 -8.942 0.034) 9.050 34.889 ( 4.286 -3.153 4.639) 7.060 34.948 ( -6.614 -1.210 1.468) 6.882 35.751 ( 15.310 -22.644 18.298) 32.893 35.980 ( -1.481 -11.058 -0.278) 11.160 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 10.854 5.616 20.228) 23.633 1.422 ( 10.946 11.621 14.717) 21.713 1.541 ( 9.037 14.067 -6.996) 18.125 1.695 ( -2.266 7.631 -22.195) 23.580 2.066 ( 26.203 16.187 28.977) 42.288 2.178 ( -2.175 -2.627 -2.025) 3.967 2.368 ( -5.451 -9.320 0.466) 10.807 2.519 ( -0.379 3.039 3.493) 4.646 2.633 ( 4.677 -2.771 1.532) 5.648 2.775 ( 6.325 -5.168 -5.244) 9.706 2.803 ( -1.077 9.393 -5.128) 10.756 2.865 ( 2.370 -2.050 -0.516) 3.176 3.012 ( 1.130 -4.424 -6.174) 7.679 3.034 ( -5.390 -3.388 1.475) 6.535 3.114 ( 3.690 -6.891 -12.708) 14.920 3.179 ( -2.504 0.856 2.706) 3.785 3.291 ( 1.771 -1.033 0.943) 2.257 3.383 ( 3.691 2.914 -13.138) 13.954 3.478 ( -6.795 1.093 2.681) 7.386 3.485 ( 0.949 3.630 -0.926) 3.864 3.578 ( -5.517 1.096 3.257) 6.500 3.639 ( -0.534 -5.925 0.349) 5.959 3.724 ( -0.671 6.151 3.679) 7.199 3.852 ( -5.165 -1.279 0.132) 5.322 3.911 ( -0.404 -4.204 2.151) 4.739 4.040 ( 4.295 3.404 -8.796) 10.363 4.142 ( 1.272 9.824 1.277) 9.988 4.182 ( -4.293 -4.961 -3.021) 7.223 4.242 ( 0.838 3.508 -3.023) 4.706 4.350 ( -6.817 0.597 7.563) 10.199 4.429 ( 7.393 5.781 3.182) 9.910 4.500 ( -6.265 4.305 5.147) 9.180 4.635 ( -0.677 5.800 2.088) 6.202 4.674 ( -3.360 -2.513 4.385) 6.069 4.784 ( -0.712 2.518 -7.228) 7.687 4.918 ( 4.158 -7.185 1.774) 8.489 5.082 ( -5.857 -3.363 -0.763) 6.797 5.100 ( 2.817 -3.605 -2.625) 5.275 5.185 ( -0.304 0.489 -1.738) 1.831 5.243 ( 3.983 0.795 3.512) 5.369 5.254 ( -2.552 -2.614 5.193) 6.350 5.387 ( 0.258 -1.553 -3.102) 3.478 5.454 ( 4.475 2.240 0.496) 5.029 5.548 ( 5.143 3.192 2.956) 6.736 5.558 ( 4.876 2.504 2.067) 5.858 5.606 ( 2.033 -4.571 2.338) 5.522 5.656 ( -1.185 6.118 3.694) 7.244 5.747 ( 2.070 -0.859 -2.497) 3.355 5.769 ( -0.792 -1.521 -4.425) 4.746 5.868 ( 4.333 -1.556 3.273) 5.649 5.952 ( 0.326 0.558 -0.683) 0.940 6.047 ( 0.836 0.523 -4.273) 4.385 6.099 ( 1.967 -1.495 -2.547) 3.548 6.211 ( 4.971 2.788 -0.329) 5.709 6.286 ( -0.459 1.102 5.152) 5.289 6.351 ( 0.034 -4.149 -2.356) 4.772 6.381 ( -2.222 -1.971 4.301) 5.227 6.400 ( -5.218 -3.403 -1.043) 6.316 6.518 ( -6.380 -4.528 5.690) 9.674 6.705 ( 1.444 -2.686 -6.513) 7.191 6.774 ( -3.445 2.010 5.936) 7.151 6.956 ( -2.138 -0.480 -1.453) 2.629 7.023 ( -7.778 -1.784 -2.200) 8.278 7.099 ( -3.319 2.242 -2.526) 4.735 7.392 ( -4.170 -4.752 -3.637) 7.293 7.565 ( -3.622 -3.649 -5.336) 7.410 7.582 ( 5.852 -5.936 -3.403) 9.004 7.733 ( 5.385 3.113 2.547) 6.721 7.893 ( 0.145 -1.945 2.448) 3.130 7.981 ( -14.550 -2.788 -0.868) 14.840 7.989 ( 1.214 -0.323 0.992) 1.601 8.169 ( -1.852 1.180 0.568) 2.268 8.212 ( -3.872 5.687 -4.969) 8.487 8.289 ( 0.388 -0.711 -1.699) 1.883 8.381 ( 0.228 -1.007 -1.295) 1.657 8.408 ( -1.056 -1.731 1.064) 2.290 8.458 ( 5.382 -6.080 0.452) 8.132 8.654 ( 2.780 1.262 -0.847) 3.169 8.690 ( 1.985 -0.095 2.542) 3.227 8.710 ( 2.543 -1.520 3.180) 4.347 8.816 ( 1.954 0.393 1.166) 2.309 8.869 ( 1.124 0.521 -2.012) 2.363 8.992 ( -1.384 -4.342 -0.167) 4.560 9.023 ( 0.963 8.615 4.422) 9.731 9.108 ( 0.125 3.343 -0.412) 3.371 9.148 ( -1.526 0.711 0.374) 1.724 9.254 ( 1.174 4.277 0.712) 4.492 9.338 ( 1.414 1.681 -0.828) 2.348 9.379 ( -1.103 3.981 0.490) 4.160 9.465 ( -0.384 -1.042 0.115) 1.116 9.513 ( -7.864 1.596 -0.696) 8.054 9.651 ( 1.869 1.350 0.767) 2.429 9.757 ( -2.696 -0.381 -0.659) 2.801 9.875 ( -4.109 -3.514 -3.202) 6.283 9.947 ( -1.877 -2.393 0.845) 3.156 9.990 ( -1.456 -0.850 2.072) 2.671 10.112 ( -0.035 -1.814 -1.585) 2.409 10.236 ( -3.337 5.038 1.568) 6.243 10.315 ( 4.329 -4.896 -0.970) 6.607 10.438 ( -3.676 6.823 -6.838) 10.335 11.213 ( 1.623 2.389 -0.395) 2.915 11.282 ( 0.455 -0.311 0.018) 0.551 11.311 ( -1.077 0.022 0.818) 1.352 11.344 ( -0.249 -0.083 -0.219) 0.342 11.410 ( -1.642 -0.372 5.544) 5.794 11.498 ( -2.647 -0.893 0.207) 2.801 11.588 ( -0.566 1.608 1.051) 2.002 11.701 ( 1.800 -4.236 2.423) 5.202 11.826 ( -1.596 -0.211 -0.549) 1.701 11.881 ( 0.362 3.248 -0.463) 3.300 12.172 ( 0.122 -3.285 0.231) 3.295 12.231 ( 0.780 -4.081 -1.723) 4.498 12.704 ( -1.503 -0.745 -2.815) 3.277 12.742 ( 0.596 1.416 3.678) 3.986 12.802 ( 2.454 -0.136 -1.419) 2.838 12.816 ( -0.660 0.268 -0.317) 0.779 12.903 ( -0.271 0.141 1.113) 1.154 12.940 ( 0.221 1.338 0.555) 1.466 13.140 ( -0.830 0.103 -2.718) 2.843 13.145 ( 1.487 -0.154 1.437) 2.073 13.202 ( 0.794 -3.815 0.057) 3.897 13.236 ( 2.972 -5.001 0.547) 5.843 13.354 ( 1.303 -0.545 1.356) 1.958 13.389 ( 0.359 -1.228 -1.877) 2.272 13.732 ( 1.282 -0.034 0.725) 1.473 13.758 ( 2.303 -0.076 -0.145) 2.309 13.950 ( -2.515 -0.530 -0.536) 2.625 13.991 ( 0.327 1.745 1.126) 2.103 15.292 ( -1.098 0.746 -1.741) 2.190 15.357 ( 1.706 0.648 0.291) 1.848 15.408 ( -0.232 -1.667 1.571) 2.303 15.458 ( 1.343 -2.634 -0.200) 2.963 15.698 ( 1.464 3.666 -1.534) 4.235 15.726 ( 2.261 4.089 -0.453) 4.695 15.965 ( -1.267 -0.915 1.824) 2.402 15.973 ( -0.598 -2.021 1.747) 2.737 16.037 ( -0.472 -0.516 0.437) 0.825 16.061 ( -0.411 0.430 -1.306) 1.435 16.319 ( -0.364 -0.901 -0.417) 1.057 16.409 ( 2.819 2.802 0.094) 3.976 16.479 ( -3.115 -0.164 -0.114) 3.121 16.557 ( 0.141 0.454 1.347) 1.428 16.578 ( -0.105 -1.589 1.158) 1.969 16.611 ( 0.827 0.930 -0.748) 1.451 16.871 ( -1.456 0.326 -1.767) 2.313 16.928 ( 0.960 1.310 -1.572) 2.260 16.981 ( -1.466 0.885 0.437) 1.768 16.996 ( -0.341 0.456 0.869) 1.039 17.189 ( 0.220 1.866 1.543) 2.431 17.211 ( 0.089 -1.241 -0.207) 1.261 17.285 ( -0.723 -0.116 1.266) 1.462 17.389 ( 1.190 -1.607 -1.462) 2.477 17.417 ( -0.233 -1.733 3.711) 4.102 17.420 ( -1.361 -2.270 2.306) 3.511 17.520 ( 0.733 1.169 -1.480) 2.024 17.610 ( 2.929 -0.765 -0.606) 3.087 17.964 ( 0.503 0.107 0.268) 0.580 18.034 ( 1.504 -0.874 -4.255) 4.597 18.087 ( 0.230 -0.371 0.392) 0.587 18.154 ( 2.957 -0.128 -1.426) 3.285 18.357 ( -2.498 -1.081 1.701) 3.210 18.406 ( -1.087 0.391 -1.068) 1.574 18.530 ( -1.694 1.749 1.285) 2.753 18.605 ( -0.482 -0.347 -1.089) 1.241 19.035 ( -0.192 2.889 0.894) 3.030 19.120 ( 2.400 2.682 -2.312) 4.278 19.498 ( -4.573 -4.464 -2.372) 6.816 19.542 ( -1.377 -6.426 3.045) 7.244 28.320 ( -0.864 2.735 1.469) 3.222 28.402 ( 0.223 3.963 -2.965) 4.955 28.405 ( -1.586 0.499 3.066) 3.488 28.571 ( 1.799 2.311 -4.584) 5.440 28.855 ( 0.923 0.902 2.152) 2.509 28.956 ( 3.265 -0.343 -1.992) 3.840 29.085 ( -6.329 -1.649 3.762) 7.545 29.216 ( 1.009 -5.917 3.299) 6.849 29.354 ( -2.049 5.391 0.012) 5.767 29.462 ( 1.572 4.918 -0.238) 5.169 29.595 ( 3.139 2.238 2.826) 4.780 29.622 ( 0.484 -0.266 -3.944) 3.983 29.789 ( -1.104 -1.345 1.893) 2.571 29.845 ( 0.315 0.342 0.246) 0.526 29.903 ( -2.394 -2.331 0.202) 3.347 29.957 ( -0.198 -1.624 0.421) 1.689 30.112 ( -0.836 2.845 -1.879) 3.511 30.160 ( 2.424 3.169 2.048) 4.485 30.227 ( 0.566 0.339 0.683) 0.950 30.259 ( 0.389 2.371 -0.737) 2.513 30.470 ( -2.068 -0.594 -0.069) 2.152 30.520 ( -0.848 2.264 0.033) 2.418 30.687 ( -2.951 -4.428 0.943) 5.405 30.705 ( 3.724 -1.924 0.290) 4.202 30.825 ( 3.769 -0.948 -0.017) 3.886 30.967 ( -1.870 2.391 1.186) 3.259 31.063 ( -9.440 1.728 1.270) 9.680 31.167 ( -8.037 0.136 0.629) 8.063 31.252 ( 2.927 -0.057 -0.367) 2.951 31.292 ( -0.020 0.781 -6.006) 6.057 31.359 ( 1.334 1.051 -4.388) 4.706 31.489 ( -1.305 -1.912 1.171) 2.595 31.600 ( 2.959 2.461 1.475) 4.121 31.692 ( -4.617 4.928 -0.233) 6.757 31.763 ( 2.061 -2.639 -0.165) 3.352 31.869 ( -0.658 2.234 -0.792) 2.460 31.890 ( -3.146 4.375 -2.854) 6.097 31.990 ( 4.021 2.441 -0.549) 4.735 32.640 ( 4.107 1.866 0.824) 4.586 32.715 ( 1.890 1.989 -2.198) 3.516 33.383 ( 12.047 9.134 -0.981) 15.150 33.558 ( 17.912 13.298 0.364) 22.312 34.590 ( -2.479 -9.163 2.869) 9.917 34.692 ( 1.130 -5.410 -0.579) 5.557 34.848 ( -5.641 -4.912 1.753) 7.683 34.989 ( 2.320 -0.474 2.639) 3.546 35.787 ( -12.192 -10.477 -4.396) 16.666 35.995 ( -1.711 -15.926 2.300) 16.182 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 17.552 -1.706 -9.097) 19.843 1.625 ( 17.784 1.604 -14.543) 23.029 1.750 ( 17.662 -3.654 13.912) 22.778 1.981 ( 15.822 3.318 13.480) 21.048 2.124 ( -6.955 -2.687 6.368) 9.805 2.307 ( -3.500 -2.586 3.248) 5.431 2.451 ( -6.936 -0.539 0.216) 6.960 2.610 ( 1.672 1.155 -6.493) 6.803 2.729 ( 1.763 2.188 1.572) 3.220 2.780 ( 7.420 5.528 2.141) 9.497 2.822 ( -6.392 -6.233 -6.071) 10.796 2.880 ( 5.673 4.277 -9.938) 12.217 2.934 ( 5.671 1.837 1.914) 6.261 3.017 ( 0.964 -6.962 5.369) 8.844 3.069 ( -0.012 2.396 -7.482) 7.857 3.194 ( -5.835 -3.553 3.733) 7.786 3.208 ( -5.178 3.127 1.324) 6.192 3.259 ( 3.371 11.302 -6.818) 13.623 3.368 ( 3.741 -1.936 -2.545) 4.921 3.484 ( -3.645 1.238 0.982) 3.973 3.566 ( 0.136 1.283 2.222) 2.569 3.623 ( -3.164 -3.552 -3.162) 5.712 3.818 ( 3.853 -6.196 7.700) 10.607 3.827 ( 1.240 -0.577 -2.402) 2.764 3.914 ( -0.935 -4.181 4.639) 6.315 4.025 ( 1.997 -2.001 -3.584) 4.565 4.102 ( -0.065 0.978 -1.505) 1.796 4.175 ( -2.797 3.487 6.264) 7.695 4.236 ( 0.783 4.710 -4.026) 6.245 4.313 ( -6.668 5.491 5.830) 10.421 4.403 ( -2.738 5.807 1.418) 6.575 4.523 ( 0.631 -4.210 -0.785) 4.329 4.655 ( -6.170 6.748 9.996) 13.548 4.724 ( 1.849 2.378 -7.167) 7.774 4.759 ( -0.127 5.747 -0.801) 5.804 4.878 ( -4.332 4.097 -2.461) 6.451 4.981 ( 1.530 -0.780 1.094) 2.036 5.050 ( -0.857 -0.649 -4.847) 4.965 5.208 ( 3.344 -4.523 -0.545) 5.651 5.260 ( -5.496 -5.595 4.895) 9.245 5.309 ( 2.227 0.263 -3.056) 3.791 5.453 ( 4.799 -2.305 2.098) 5.723 5.505 ( 4.915 3.664 -4.942) 7.874 5.582 ( -1.140 -2.749 -1.952) 3.559 5.605 ( 0.964 1.333 -2.295) 2.824 5.648 ( 5.492 -2.489 1.010) 6.114 5.709 ( 1.699 -0.812 -0.374) 1.920 5.739 ( 4.065 -4.739 -2.148) 6.603 5.772 ( 3.118 -1.097 0.684) 3.376 5.944 ( 4.986 3.491 -3.683) 7.114 5.984 ( -4.363 4.810 -3.534) 7.393 6.012 ( 0.896 -6.095 3.099) 6.896 6.086 ( 0.746 0.016 -1.203) 1.416 6.194 ( -7.463 -6.215 -4.927) 10.890 6.276 ( 2.776 3.984 -4.458) 6.592 6.293 ( 0.867 -0.966 -0.175) 1.310 6.411 ( -1.961 4.557 6.426) 8.118 6.480 ( 3.726 -0.876 6.138) 7.234 6.541 ( -3.187 -7.274 13.540) 15.697 6.719 ( 2.754 -0.694 1.356) 3.148 6.763 ( -1.024 3.250 -0.972) 3.543 6.850 ( -10.141 -0.915 -1.470) 10.287 6.976 ( 0.402 1.517 5.732) 5.943 7.035 ( -3.291 0.787 1.288) 3.620 7.263 ( -3.380 2.156 -3.081) 5.056 7.470 ( -0.058 1.873 -5.645) 5.948 7.599 ( -4.587 -2.386 2.435) 5.715 7.688 ( -9.009 3.821 -0.672) 9.809 7.796 ( -9.106 4.718 -1.854) 10.422 7.899 ( 5.662 -0.994 0.749) 5.797 8.054 ( 0.874 0.304 1.669) 1.909 8.110 ( -2.033 -0.600 -1.059) 2.370 8.168 ( 2.412 4.811 -3.030) 6.176 8.272 ( -1.009 -2.070 -0.923) 2.480 8.368 ( -2.018 -0.571 2.611) 3.349 8.415 ( -0.208 -5.352 1.539) 5.572 8.483 ( 0.594 -3.331 -1.396) 3.660 8.635 ( -2.983 1.794 1.762) 3.901 8.765 ( -1.433 0.881 -3.183) 3.600 8.784 ( 5.238 -1.688 -1.989) 5.851 8.863 ( 1.637 -0.517 0.259) 1.736 8.877 ( 5.880 -3.977 -0.658) 7.129 8.967 ( 1.045 -2.855 -0.219) 3.048 9.078 ( -2.931 2.017 0.173) 3.562 9.106 ( 1.004 5.449 3.086) 6.342 9.161 ( 1.726 0.025 0.011) 1.726 9.275 ( 0.830 2.335 0.259) 2.492 9.320 ( -3.696 -1.255 1.520) 4.189 9.352 ( 3.030 4.812 -5.108) 7.644 9.406 ( -2.715 4.021 0.015) 4.852 9.488 ( -3.735 -6.050 1.866) 7.351 9.586 ( -2.103 1.098 -2.503) 3.449 9.772 ( -2.593 -1.098 -1.283) 3.095 9.775 ( 1.291 5.312 0.707) 5.512 9.898 ( -2.780 -5.729 0.651) 6.401 9.997 ( 0.529 -0.588 -0.452) 0.912 10.065 ( -4.271 0.458 -0.897) 4.388 10.188 ( -3.314 0.371 -2.224) 4.008 10.266 ( -2.682 0.796 1.022) 2.978 10.425 ( 1.825 -0.533 -0.184) 1.910 11.237 ( 1.824 -0.293 -0.635) 1.953 11.286 ( -1.321 0.375 0.812) 1.595 11.311 ( 0.675 0.383 0.512) 0.930 11.346 ( 0.534 0.505 0.559) 0.924 11.415 ( -2.930 -2.863 1.308) 4.300 11.506 ( -0.343 0.127 3.856) 3.873 11.615 ( 1.471 2.757 0.964) 3.270 11.744 ( -0.260 -4.654 1.320) 4.845 11.805 ( -0.037 -0.091 -0.116) 0.153 11.869 ( -0.183 2.457 -1.600) 2.938 12.190 ( 0.730 -4.678 1.360) 4.927 12.219 ( -0.142 -4.281 -0.624) 4.329 12.660 ( 0.058 0.000 -2.168) 2.169 12.758 ( -0.391 -0.704 -0.680) 1.054 12.806 ( -1.790 0.753 2.675) 3.305 12.855 ( 1.178 0.918 3.115) 3.454 12.905 ( -0.446 -0.483 0.072) 0.662 12.962 ( 0.751 1.709 1.066) 2.150 13.083 ( -0.882 0.766 -3.257) 3.460 13.198 ( 2.595 -0.710 2.325) 3.555 13.222 ( 1.292 -3.359 -0.434) 3.625 13.299 ( 1.361 -4.893 0.348) 5.090 13.321 ( -0.274 -1.072 -1.796) 2.110 13.456 ( 3.875 -1.031 1.505) 4.283 13.703 ( 0.260 -0.786 -1.859) 2.035 13.828 ( -0.296 -2.835 -1.010) 3.024 13.913 ( 1.118 1.869 1.607) 2.707 14.024 ( -0.098 1.293 1.709) 2.146 15.268 ( 0.207 -0.975 -0.921) 1.357 15.375 ( -0.226 -1.178 0.854) 1.473 15.418 ( -0.294 -0.736 0.339) 0.862 15.477 ( 1.149 -3.995 -0.701) 4.216 15.718 ( 2.319 3.364 -0.943) 4.194 15.769 ( 2.556 3.295 0.633) 4.218 15.943 ( -1.575 -0.325 -0.227) 1.624 15.970 ( 0.093 -1.072 -0.708) 1.289 16.020 ( -1.626 0.722 -2.306) 2.912 16.036 ( -0.870 0.523 0.543) 1.152 16.340 ( 1.403 -1.594 1.228) 2.453 16.393 ( -2.162 0.606 -0.715) 2.357 16.462 ( -0.833 -0.474 0.430) 1.051 16.571 ( 1.043 -2.251 -0.182) 2.487 16.597 ( -0.589 1.057 2.042) 2.374 16.610 ( 0.232 0.751 -1.405) 1.610 16.845 ( 0.621 2.069 -1.059) 2.405 16.925 ( -0.029 1.983 -0.199) 1.993 16.963 ( -1.158 0.985 0.346) 1.559 16.986 ( -1.728 0.461 0.461) 1.847 17.205 ( 0.852 -0.492 -0.823) 1.283 17.231 ( 1.024 -0.030 2.613) 2.806 17.287 ( -0.679 0.021 1.098) 1.291 17.393 ( 1.847 -0.605 -2.845) 3.445 17.418 ( -1.181 -2.910 1.621) 3.534 17.456 ( -0.198 -2.454 3.344) 4.153 17.520 ( 0.238 1.759 0.237) 1.790 17.643 ( 1.597 -0.848 -0.560) 1.893 17.991 ( 0.994 0.028 1.313) 1.647 18.027 ( 1.367 -1.629 -1.407) 2.549 18.088 ( 0.500 -0.911 -1.168) 1.563 18.171 ( 2.007 -1.318 -2.327) 3.344 18.321 ( -0.646 2.842 -1.983) 3.525 18.355 ( -3.493 -1.674 -0.066) 3.874 18.510 ( -1.075 3.886 0.504) 4.064 18.568 ( -1.058 2.329 -2.213) 3.383 19.050 ( 0.263 2.402 1.124) 2.665 19.144 ( 3.034 2.179 -1.812) 4.151 19.392 ( -1.916 -1.913 -2.817) 3.907 19.531 ( -4.383 -4.486 2.600) 6.789 28.320 ( -0.793 1.650 0.729) 1.971 28.376 ( 0.207 2.867 -2.342) 3.708 28.419 ( -1.236 0.063 3.928) 4.119 28.559 ( 2.292 2.193 -3.213) 4.515 28.889 ( 0.531 -0.346 0.349) 0.723 28.962 ( 0.601 1.879 -2.327) 3.051 29.056 ( -1.683 -1.143 2.620) 3.318 29.269 ( -0.482 -7.539 3.545) 8.345 29.350 ( 0.257 3.122 0.500) 3.172 29.476 ( 1.898 2.668 -1.338) 3.536 29.602 ( 1.578 0.129 -2.373) 2.853 29.653 ( 0.216 0.558 1.769) 1.867 29.795 ( -0.940 0.355 1.381) 1.707 29.853 ( -0.140 0.859 -0.381) 0.950 29.865 ( -1.808 -2.135 1.015) 2.976 29.934 ( -1.560 -1.250 -1.275) 2.371 30.124 ( 3.566 4.000 0.367) 5.372 30.181 ( 0.025 0.994 -0.060) 0.996 30.242 ( -1.092 3.232 -0.948) 3.541 30.277 ( 1.097 1.293 1.126) 2.036 30.415 ( -1.649 -0.368 -3.087) 3.519 30.533 ( 1.190 3.028 1.915) 3.776 30.595 ( -0.597 1.019 -5.572) 5.695 30.794 ( 2.686 -0.027 2.502) 3.670 30.882 ( -0.293 -1.289 3.293) 3.548 30.935 ( -3.860 0.689 2.112) 4.453 31.025 ( 0.793 3.332 0.688) 3.494 31.082 ( -1.654 1.007 1.452) 2.421 31.232 ( -1.269 1.643 -2.933) 3.593 31.268 ( -2.015 0.423 -0.868) 2.234 31.326 ( 1.397 5.048 -1.404) 5.423 31.506 ( 1.035 -2.323 -0.740) 2.649 31.622 ( -3.057 1.671 0.826) 3.581 31.643 ( 0.715 2.947 1.523) 3.393 31.738 ( -2.609 1.343 -1.030) 3.109 31.768 ( -4.261 1.165 0.227) 4.423 31.882 ( -1.718 6.598 1.190) 6.921 32.031 ( 1.392 1.084 0.368) 1.802 32.697 ( 1.850 -0.056 -0.268) 1.870 32.756 ( 1.936 -0.111 1.970) 2.764 33.683 ( 20.789 0.773 0.630) 20.813 33.905 ( 17.164 5.639 4.918) 18.724 34.550 ( -9.493 -2.203 -0.410) 9.754 34.686 ( 2.957 -7.223 3.672) 8.625 34.836 ( -0.582 -10.999 1.316) 11.093 35.010 ( -2.187 -5.513 -1.459) 6.108 35.473 ( -10.165 -3.494 -10.153) 14.786 35.921 ( -6.454 -9.507 -1.028) 11.537 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 14.740 -10.257 -7.897) 19.618 1.846 ( 21.533 -4.859 -2.523) 22.219 2.053 ( -5.227 -1.548 -0.222) 5.455 2.112 ( -4.747 -3.807 4.786) 7.741 2.202 ( 1.759 -0.887 -2.240) 2.983 2.306 ( 4.792 -5.164 11.460) 13.453 2.366 ( 1.112 4.795 -6.797) 8.392 2.485 ( -15.474 -3.602 -10.966) 19.304 2.561 ( 0.925 -2.461 2.763) 3.814 2.663 ( -6.658 -4.600 -3.875) 8.972 2.782 ( 2.494 4.052 2.286) 5.278 2.830 ( -7.143 9.093 -4.566) 12.432 2.916 ( 0.822 3.733 0.245) 3.830 3.035 ( 2.615 -2.442 1.407) 3.844 3.078 ( 4.089 -2.380 -8.524) 9.748 3.173 ( 2.813 3.350 1.787) 4.725 3.302 ( 5.797 1.270 -7.287) 9.398 3.333 ( 7.060 0.335 2.730) 7.577 3.383 ( -6.102 0.753 2.696) 6.714 3.575 ( -3.227 -4.698 -0.782) 5.753 3.612 ( 7.156 2.402 12.201) 14.347 3.623 ( 3.911 2.977 0.770) 4.975 3.791 ( -5.440 2.256 3.263) 6.733 3.848 ( 0.404 -0.912 -4.254) 4.369 3.930 ( -2.703 -3.539 1.172) 4.605 3.963 ( -6.423 -0.346 -6.570) 9.194 4.145 ( 3.174 -0.391 2.135) 3.845 4.153 ( 3.096 5.219 2.311) 6.493 4.207 ( -0.556 -4.272 1.147) 4.458 4.395 ( 3.724 1.887 4.441) 6.095 4.433 ( -2.680 1.303 2.015) 3.598 4.514 ( 0.325 -3.712 -0.121) 3.728 4.541 ( -5.968 -1.144 -0.027) 6.077 4.666 ( -7.260 9.067 8.729) 14.530 4.715 ( 4.429 6.374 -4.593) 9.018 4.897 ( -0.675 6.395 -1.106) 6.525 4.987 ( -0.890 -1.454 -1.318) 2.155 5.038 ( 2.377 9.110 1.531) 9.538 5.166 ( -9.951 -5.930 4.937) 12.592 5.269 ( 4.873 -6.881 -2.915) 8.922 5.317 ( 5.034 -0.347 -5.100) 7.175 5.471 ( 4.591 -5.946 -9.356) 11.998 5.509 ( -0.614 -0.860 -1.333) 1.701 5.574 ( 0.731 -2.208 -0.334) 2.350 5.612 ( 2.595 1.153 -2.506) 3.788 5.725 ( 0.817 -2.758 -6.832) 7.413 5.754 ( -0.346 -1.188 -0.322) 1.279 5.790 ( 4.376 0.523 6.417) 7.785 5.810 ( 0.403 -5.036 -1.919) 5.404 5.885 ( -1.735 3.243 0.884) 3.782 5.930 ( -3.832 -1.082 -3.476) 5.285 5.980 ( 4.550 2.425 -4.930) 7.134 6.090 ( -2.230 -2.661 4.194) 5.445 6.134 ( 2.358 0.467 -0.847) 2.549 6.223 ( -0.417 4.275 -6.281) 7.609 6.337 ( 1.840 2.103 -0.639) 2.866 6.386 ( -2.626 -3.799 2.229) 5.128 6.536 ( -3.291 -0.424 -5.135) 6.114 6.646 ( -0.618 -3.306 5.019) 6.042 6.711 ( -2.755 6.934 2.549) 7.885 6.781 ( 1.211 2.829 1.039) 3.248 6.796 ( -2.272 -0.128 9.546) 9.814 7.033 ( 1.295 2.124 3.512) 4.304 7.044 ( -2.111 1.901 8.470) 8.934 7.210 ( -2.005 3.998 0.704) 4.528 7.400 ( -1.244 2.114 -0.329) 2.475 7.533 ( -3.745 7.016 2.030) 8.208 7.645 ( -4.365 5.590 2.284) 7.450 7.715 ( 3.545 -3.708 3.941) 6.469 7.978 ( 2.763 -1.372 0.365) 3.106 8.054 ( 1.230 1.045 -2.187) 2.718 8.063 ( -1.464 2.940 0.186) 3.290 8.208 ( -3.760 -0.216 -1.976) 4.253 8.224 ( 3.148 -2.343 -0.479) 3.953 8.311 ( -1.943 -2.392 -5.156) 6.007 8.452 ( 0.156 2.534 4.317) 5.008 8.532 ( -0.220 -0.626 4.465) 4.514 8.603 ( -1.937 4.522 1.871) 5.263 8.691 ( -0.919 -2.795 0.042) 2.942 8.787 ( 0.890 -6.144 -6.193) 8.769 8.894 ( 2.364 5.733 -0.131) 6.203 8.927 ( 3.419 -3.069 -5.708) 7.327 9.000 ( 1.064 -2.843 -4.522) 5.446 9.051 ( -2.870 0.254 4.702) 5.514 9.123 ( 0.736 -0.670 -1.981) 2.217 9.150 ( 0.994 2.186 -0.050) 2.402 9.272 ( -2.455 -1.414 -2.668) 3.892 9.314 ( 0.530 1.426 -2.760) 3.152 9.326 ( -0.986 -0.864 -0.358) 1.359 9.400 ( 0.025 -2.950 0.427) 2.981 9.434 ( -0.311 2.850 3.697) 4.678 9.552 ( -0.068 1.827 -3.005) 3.517 9.781 ( 2.583 -1.406 2.086) 3.606 9.803 ( 2.151 3.218 0.326) 3.885 9.906 ( -0.987 -5.354 4.896) 7.322 9.959 ( -4.162 1.850 1.425) 4.773 10.003 ( -1.035 -2.669 -1.889) 3.430 10.138 ( -0.007 -3.090 -0.470) 3.125 10.258 ( -1.280 0.187 1.197) 1.763 10.419 ( -0.139 -0.539 -3.065) 3.115 11.247 ( -0.083 -2.138 -0.108) 2.142 11.287 ( 0.415 0.709 1.365) 1.593 11.334 ( 0.065 0.499 0.867) 1.002 11.350 ( -1.180 0.433 1.669) 2.089 11.395 ( 1.205 -2.460 -1.483) 3.116 11.509 ( -4.352 -1.891 2.320) 5.282 11.642 ( 0.227 2.133 1.076) 2.400 11.733 ( 0.079 -0.475 -1.311) 1.397 11.814 ( 0.165 -1.129 0.205) 1.159 11.850 ( 0.631 2.736 -1.565) 3.215 12.221 ( 0.890 -4.858 1.515) 5.166 12.226 ( -0.314 -4.771 2.234) 5.278 12.660 ( 2.146 0.886 -0.821) 2.462 12.752 ( -0.333 -1.421 0.940) 1.736 12.802 ( -0.626 1.478 0.528) 1.690 12.838 ( -4.441 2.191 0.319) 4.962 12.923 ( 0.057 -0.465 1.013) 1.116 12.975 ( 0.155 1.098 -0.239) 1.135 13.066 ( 1.964 0.613 -0.246) 2.073 13.213 ( -0.598 -2.020 -2.107) 2.980 13.259 ( 0.031 -2.192 0.858) 2.354 13.299 ( 1.761 0.327 2.379) 2.978 13.336 ( 0.650 -6.152 -0.877) 6.248 13.499 ( 0.513 -1.052 -1.345) 1.783 13.709 ( 1.121 -0.487 0.545) 1.338 13.812 ( 0.907 -2.250 0.907) 2.590 13.925 ( -0.920 1.408 -2.303) 2.852 14.012 ( -1.718 0.655 -1.335) 2.272 15.280 ( 1.324 -1.773 0.600) 2.293 15.374 ( -0.771 -1.877 0.230) 2.042 15.407 ( -0.523 -0.891 -0.018) 1.034 15.477 ( 0.296 -4.768 -1.495) 5.005 15.748 ( 1.617 3.138 0.402) 3.553 15.806 ( 0.906 1.220 -0.007) 1.519 15.920 ( -0.026 -1.721 -2.014) 2.650 15.954 ( -0.864 1.328 -2.130) 2.654 15.979 ( 1.155 0.848 -1.397) 2.001 16.023 ( -1.142 2.065 0.037) 2.360 16.351 ( -1.421 0.588 0.176) 1.547 16.388 ( 0.982 -2.203 1.698) 2.950 16.435 ( -0.651 -2.037 -2.003) 2.931 16.562 ( -0.504 -1.379 -2.060) 2.530 16.592 ( -1.158 1.476 0.568) 1.961 16.614 ( 0.870 1.922 -0.079) 2.111 16.858 ( 1.381 2.401 -0.317) 2.788 16.920 ( -0.109 0.056 -0.338) 0.359 16.950 ( -1.058 1.412 0.488) 1.831 16.958 ( -1.261 1.857 -0.179) 2.252 17.211 ( 0.820 -1.429 -0.535) 1.732 17.278 ( -0.642 0.626 2.669) 2.816 17.284 ( -0.287 0.321 0.493) 0.655 17.378 ( 1.044 0.019 -3.317) 3.478 17.420 ( -1.028 -2.416 1.399) 2.975 17.486 ( -0.532 -2.827 2.743) 3.975 17.534 ( -0.393 0.936 2.192) 2.415 17.641 ( 0.262 -0.207 -1.643) 1.677 18.001 ( 0.324 0.127 0.065) 0.354 18.053 ( 1.795 -3.283 1.146) 3.913 18.096 ( 0.659 -2.327 0.228) 2.429 18.179 ( 1.612 -2.197 -2.136) 3.462 18.305 ( 0.531 1.309 0.879) 1.664 18.343 ( 0.337 2.099 1.387) 2.538 18.487 ( -0.816 5.517 -1.202) 5.705 18.541 ( -0.014 3.057 -1.137) 3.261 19.064 ( -0.270 2.099 1.240) 2.452 19.170 ( 2.508 1.850 -2.269) 3.855 19.372 ( 0.794 -1.923 0.223) 2.092 19.472 ( -4.057 -2.983 0.248) 5.041 28.312 ( -0.677 1.041 0.157) 1.252 28.353 ( 0.258 0.999 -2.019) 2.267 28.460 ( -0.600 0.669 5.505) 5.577 28.577 ( 2.828 1.903 -1.273) 3.639 28.865 ( -0.374 0.041 -3.147) 3.170 28.956 ( -0.282 2.629 -0.020) 2.644 29.056 ( -0.893 -1.445 0.101) 1.702 29.208 ( -3.621 -3.744 -5.424) 7.519 29.400 ( 0.961 1.629 4.307) 4.704 29.503 ( 2.362 1.647 -1.175) 3.110 29.623 ( 2.123 -0.417 0.529) 2.227 29.656 ( -1.383 -1.530 1.263) 2.418 29.782 ( -1.040 0.321 0.064) 1.090 29.820 ( -0.749 -1.081 -2.824) 3.115 29.865 ( -0.971 0.501 1.171) 1.602 29.911 ( 0.323 0.367 -0.595) 0.770 30.173 ( 0.038 0.671 -1.494) 1.638 30.192 ( 0.686 0.677 -0.402) 1.044 30.231 ( 0.116 2.553 1.867) 3.165 30.263 ( -0.413 3.842 0.201) 3.869 30.392 ( 3.320 4.384 -2.860) 6.198 30.548 ( -0.116 2.745 0.246) 2.759 30.595 ( 3.425 2.904 -1.568) 4.756 30.803 ( -4.749 -0.589 1.689) 5.075 30.884 ( -3.188 1.256 1.243) 3.645 30.948 ( 1.494 0.302 3.637) 3.944 30.985 ( -4.522 -1.104 -0.073) 4.656 31.142 ( 6.008 -1.683 -1.050) 6.327 31.177 ( -1.208 3.426 -0.794) 3.718 31.226 ( -1.977 -0.115 1.113) 2.272 31.388 ( 5.604 6.558 0.204) 8.629 31.476 ( -1.275 3.660 -2.903) 4.842 31.592 ( -1.484 -2.417 0.227) 2.845 31.665 ( -4.722 4.102 -0.809) 6.307 31.692 ( 1.141 4.427 3.369) 5.679 31.770 ( 1.680 1.836 3.416) 4.226 31.865 ( -2.351 4.585 3.024) 5.975 32.067 ( 0.331 0.096 3.050) 3.069 32.727 ( 0.891 0.065 1.841) 2.046 32.789 ( -0.294 -0.630 1.508) 1.660 34.016 ( 16.460 -1.006 -0.184) 16.491 34.136 ( 2.835 -0.674 1.770) 3.410 34.345 ( -11.988 -2.265 0.321) 12.204 34.726 ( -6.823 -8.652 -10.169) 14.995 34.801 ( 1.564 -7.279 3.184) 8.098 34.949 ( 2.567 -14.596 0.300) 14.823 35.371 ( 3.687 2.729 0.420) 4.606 35.792 ( -4.247 -6.394 -4.578) 8.938 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -18.558 1.979 -8.934) 20.691 1.835 ( 4.614 -5.768 -2.418) 7.772 1.920 ( -14.270 -3.209 6.421) 15.974 1.997 ( -20.606 1.980 -1.614) 20.764 2.101 ( -1.691 6.479 2.867) 7.283 2.297 ( 10.415 2.342 -10.562) 15.017 2.441 ( 0.497 -3.699 1.574) 4.051 2.484 ( -2.940 -10.654 -1.035) 11.100 2.580 ( 16.438 -0.060 -3.522) 16.812 2.652 ( 2.269 -1.315 -0.499) 2.670 2.792 ( 0.727 -3.937 -3.511) 5.325 2.888 ( 1.228 2.904 -1.231) 3.384 2.908 ( 2.727 4.410 3.024) 6.003 2.947 ( -3.863 -4.656 -1.922) 6.348 3.057 ( -12.449 1.277 2.023) 12.677 3.209 ( 2.764 1.229 -1.347) 3.311 3.258 ( 3.367 4.045 7.328) 9.022 3.385 ( -1.840 -2.377 0.369) 3.029 3.484 ( 8.765 1.223 -4.396) 9.882 3.541 ( 0.879 5.144 -2.472) 5.774 3.637 ( -0.271 -5.972 -8.479) 10.374 3.712 ( -3.025 2.317 1.890) 4.253 3.760 ( 0.497 2.652 8.817) 9.220 3.819 ( 5.748 -0.762 6.009) 8.351 3.861 ( -3.361 3.770 -1.347) 5.227 3.978 ( 2.202 0.876 -0.553) 2.434 4.136 ( -1.219 -7.119 -4.323) 8.417 4.198 ( -1.355 -4.421 2.513) 5.262 4.239 ( 1.818 0.391 -2.003) 2.733 4.336 ( -7.643 -4.989 3.527) 9.785 4.469 ( 5.306 2.475 -1.602) 6.070 4.561 ( -2.561 0.246 5.923) 6.458 4.588 ( 5.435 5.689 3.422) 8.580 4.632 ( -1.801 1.495 2.897) 3.724 4.778 ( -2.676 11.034 3.661) 11.930 4.869 ( -1.845 1.412 -2.239) 3.226 4.957 ( 1.985 -1.563 -0.604) 2.598 5.057 ( -3.548 4.608 0.089) 5.816 5.126 ( 3.376 0.352 1.773) 3.830 5.267 ( -1.926 -2.813 -6.728) 7.543 5.319 ( -0.814 -6.180 1.779) 6.482 5.439 ( -2.789 -7.705 -5.708) 9.987 5.474 ( 0.963 -1.031 -5.674) 5.847 5.526 ( 0.985 -2.583 -2.912) 4.015 5.592 ( 0.090 -1.083 -0.708) 1.297 5.648 ( -2.424 -1.909 -1.085) 3.271 5.741 ( 5.182 -5.029 -7.249) 10.232 5.779 ( 0.639 0.646 -1.525) 1.775 5.859 ( -2.874 6.833 4.113) 8.478 5.893 ( -0.346 4.763 0.459) 4.797 5.951 ( 0.646 0.001 2.190) 2.284 6.023 ( 2.519 0.426 0.645) 2.635 6.080 ( -0.008 0.803 -3.089) 3.191 6.126 ( 0.276 1.257 -4.590) 4.767 6.175 ( 0.764 -0.982 1.168) 1.707 6.320 ( 0.329 -0.806 0.460) 0.985 6.384 ( -5.187 1.787 -4.797) 7.287 6.449 ( 5.236 1.104 1.378) 5.526 6.604 ( -7.511 2.732 3.928) 8.905 6.724 ( -1.080 6.208 -1.680) 6.521 6.786 ( -0.527 -2.207 3.001) 3.762 6.885 ( 2.482 -0.289 5.213) 5.781 7.063 ( -4.959 3.228 6.207) 8.576 7.120 ( 2.486 3.805 5.502) 7.136 7.260 ( 1.744 0.310 5.005) 5.309 7.447 ( 5.086 -1.597 0.839) 5.397 7.566 ( 3.351 4.277 3.175) 6.293 7.645 ( 2.572 6.122 0.494) 6.659 7.836 ( -1.255 -7.322 6.427) 9.823 7.990 ( 1.234 4.414 0.045) 4.583 8.055 ( -0.009 2.455 -4.707) 5.308 8.112 ( 2.091 -3.939 -0.029) 4.460 8.115 ( 1.613 0.490 -1.517) 2.267 8.169 ( 2.946 -5.883 -7.326) 9.847 8.320 ( 0.014 4.809 3.909) 6.197 8.451 ( -1.290 1.140 -2.260) 2.841 8.553 ( -2.900 8.337 6.843) 11.169 8.624 ( -1.250 -3.255 3.131) 4.686 8.725 ( -1.276 -4.756 0.324) 4.935 8.763 ( 2.781 -1.085 -0.484) 3.024 8.840 ( 1.575 4.946 -6.422) 8.258 8.894 ( -2.344 2.348 -7.707) 8.390 8.975 ( 2.704 1.735 -1.566) 3.574 9.066 ( -0.920 -1.157 1.846) 2.365 9.084 ( -0.888 -4.180 -3.270) 5.381 9.164 ( -3.773 -8.384 -1.421) 9.303 9.192 ( 2.410 3.532 -0.385) 4.293 9.269 ( -1.680 0.353 0.264) 1.737 9.316 ( -0.611 0.196 0.081) 0.646 9.454 ( 2.191 3.041 0.567) 3.790 9.487 ( 1.722 -4.323 3.209) 5.652 9.526 ( 1.184 2.947 -2.266) 3.901 9.830 ( -0.569 -0.310 0.120) 0.659 9.841 ( -1.073 2.252 -0.149) 2.499 9.914 ( 1.173 -1.471 1.452) 2.377 9.980 ( 2.148 -1.219 3.634) 4.394 10.039 ( 6.738 -2.628 0.991) 7.300 10.149 ( 1.903 -5.237 -1.739) 5.837 10.242 ( -2.639 -0.869 2.369) 3.652 10.361 ( -0.892 1.019 -4.531) 4.729 11.245 ( -0.743 -2.084 1.080) 2.462 11.315 ( 0.416 -0.193 0.780) 0.904 11.333 ( -0.099 -0.028 1.101) 1.105 11.360 ( 0.793 0.007 -1.202) 1.440 11.390 ( -3.828 -2.304 2.652) 5.196 11.457 ( -0.211 -0.991 0.326) 1.065 11.653 ( -0.850 1.435 1.772) 2.433 11.716 ( -0.390 0.533 -1.791) 1.909 11.809 ( -0.600 -0.168 0.153) 0.642 11.853 ( 1.115 3.162 -1.249) 3.578 12.236 ( -1.545 -4.522 1.757) 5.092 12.259 ( 0.919 -4.842 1.759) 5.233 12.710 ( 3.359 1.357 0.465) 3.652 12.724 ( -1.861 0.942 -2.467) 3.231 12.786 ( -2.748 0.890 2.259) 3.667 12.833 ( 3.004 0.079 1.778) 3.492 12.917 ( -1.198 -0.790 0.282) 1.462 12.951 ( -1.257 0.741 -1.162) 1.865 13.126 ( 2.566 0.061 2.032) 3.274 13.166 ( -1.636 -0.350 -2.666) 3.147 13.253 ( -0.912 -2.911 1.010) 3.213 13.307 ( -1.590 -4.414 -2.309) 5.230 13.376 ( 1.863 -0.986 3.807) 4.352 13.447 ( -2.706 -1.583 -3.194) 4.476 13.752 ( 1.306 0.360 3.007) 3.298 13.841 ( -3.136 2.119 -4.463) 5.852 13.878 ( 2.225 -2.466 2.761) 4.319 13.950 ( -0.829 0.361 -3.210) 3.335 15.318 ( 1.055 -0.756 1.923) 2.320 15.347 ( -1.286 -1.808 -1.435) 2.642 15.413 ( 0.149 -3.198 0.639) 3.264 15.460 ( 0.473 -2.722 -1.708) 3.248 15.773 ( -0.145 1.025 1.061) 1.482 15.797 ( -1.226 0.731 -0.556) 1.532 15.881 ( -0.580 -1.208 -2.333) 2.690 15.930 ( 1.303 -0.966 -3.281) 3.660 15.996 ( -0.917 2.760 -0.813) 3.020 16.013 ( 2.538 3.732 0.395) 4.531 16.335 ( -0.614 -3.087 0.266) 3.159 16.412 ( 1.740 -3.279 -2.450) 4.448 16.432 ( 0.481 1.441 3.076) 3.431 16.529 ( 0.146 -0.801 -2.836) 2.951 16.569 ( -2.318 2.800 0.543) 3.675 16.629 ( 0.962 2.750 0.034) 2.914 16.878 ( 0.865 1.143 0.707) 1.598 16.914 ( 0.329 -0.880 -1.612) 1.866 16.932 ( -0.481 1.444 0.158) 1.530 16.959 ( 0.795 1.882 0.356) 2.074 17.218 ( -0.272 -0.100 0.531) 0.605 17.253 ( -1.280 -0.144 -1.003) 1.632 17.296 ( -1.419 1.461 2.168) 2.975 17.351 ( -0.495 -0.112 -2.379) 2.433 17.425 ( -0.689 -0.831 2.433) 2.662 17.489 ( -0.849 -2.328 0.110) 2.480 17.563 ( -0.100 -0.251 3.044) 3.056 17.630 ( -0.007 -0.930 -1.339) 1.630 18.020 ( -0.532 -0.969 2.675) 2.894 18.091 ( 0.696 -2.454 0.436) 2.588 18.108 ( 0.459 -3.603 0.715) 3.702 18.166 ( 1.700 -3.875 -4.011) 5.830 18.327 ( -1.493 1.943 1.320) 2.783 18.370 ( 1.472 2.748 0.709) 3.197 18.482 ( 0.401 4.972 0.327) 4.999 18.525 ( 1.033 3.590 -2.613) 4.559 19.068 ( -1.233 2.169 1.513) 2.918 19.171 ( 1.159 1.982 -2.650) 3.507 19.396 ( -1.180 -3.565 0.053) 3.755 19.435 ( 2.366 -1.879 0.527) 3.067 28.302 ( -0.620 1.000 0.169) 1.189 28.342 ( 0.649 0.282 -1.195) 1.389 28.505 ( -1.694 2.078 4.242) 5.018 28.620 ( 2.902 0.697 0.144) 2.988 28.850 ( 1.992 0.473 -0.397) 2.085 28.900 ( -3.089 1.050 -4.653) 5.683 29.040 ( -0.782 0.748 0.549) 1.213 29.118 ( 0.226 1.013 -3.616) 3.762 29.435 ( -2.192 0.997 2.789) 3.685 29.509 ( -0.447 1.738 -0.876) 1.998 29.636 ( -1.252 -0.923 0.775) 1.738 29.680 ( 1.740 -0.881 1.170) 2.274 29.757 ( -1.287 -1.044 -1.020) 1.946 29.801 ( 1.905 1.178 -1.455) 2.671 29.858 ( -0.857 -0.124 0.931) 1.271 29.915 ( 0.892 -0.714 -1.056) 1.556 30.145 ( -0.972 1.658 -0.490) 1.983 30.178 ( 0.155 -0.532 -1.854) 1.935 30.231 ( -0.720 2.051 1.699) 2.759 30.286 ( 0.317 4.128 0.042) 4.140 30.446 ( 2.407 2.669 0.833) 3.689 30.502 ( -4.170 1.833 -4.115) 6.139 30.668 ( 3.267 1.926 0.957) 3.911 30.730 ( 1.878 1.336 -0.786) 2.435 30.841 ( -4.505 -2.020 3.054) 5.805 30.924 ( -4.581 0.047 2.238) 5.099 31.028 ( 3.045 1.401 3.062) 4.541 31.092 ( -3.858 0.802 -2.132) 4.480 31.222 ( 3.198 0.176 -1.797) 3.673 31.308 ( 7.855 1.277 1.332) 8.069 31.384 ( -4.490 5.818 -0.447) 7.362 31.500 ( 4.340 6.587 -3.447) 8.609 31.555 ( 0.149 -1.159 1.024) 1.554 31.643 ( 2.747 0.684 -0.481) 2.872 31.725 ( -2.628 4.613 3.133) 6.165 31.808 ( 1.518 4.842 -0.819) 5.140 31.944 ( 1.228 1.253 10.703) 10.845 32.084 ( -1.382 0.584 0.328) 1.536 32.765 ( -0.012 -0.205 2.695) 2.703 32.784 ( -1.588 -0.183 0.648) 1.725 34.013 ( -14.179 -1.582 -0.458) 14.274 34.103 ( -7.135 -0.525 3.499) 7.964 34.331 ( 8.037 -3.952 -0.918) 9.003 34.530 ( 0.811 -6.518 -8.302) 10.586 34.853 ( -1.467 -9.701 3.073) 10.282 34.980 ( 0.505 -8.991 -2.106) 9.248 35.522 ( 7.866 -2.784 5.348) 9.911 35.688 ( 1.927 -5.595 -9.578) 11.258 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -27.353 9.427 -2.920) 29.078 1.373 ( -33.172 6.361 -7.180) 34.531 1.979 ( -11.501 -3.178 9.913) 15.512 2.047 ( -12.202 4.491 4.554) 13.777 2.096 ( 2.547 5.464 11.566) 13.043 2.167 ( -3.614 10.940 0.633) 11.539 2.281 ( 2.224 -1.281 -7.359) 7.793 2.467 ( 1.635 -7.064 -1.041) 7.325 2.657 ( -2.762 -2.147 0.777) 3.583 2.718 ( 8.043 4.362 -0.036) 9.150 2.812 ( 0.107 2.388 -6.409) 6.840 2.883 ( 9.010 -0.572 -3.306) 9.614 2.920 ( -0.314 -3.317 -1.581) 3.688 3.035 ( 3.392 6.796 0.714) 7.629 3.067 ( 0.249 -4.569 -3.478) 5.747 3.139 ( 2.080 -1.142 2.848) 3.707 3.248 ( 5.779 2.376 -5.599) 8.390 3.438 ( -0.030 -7.546 -2.716) 8.019 3.514 ( -4.768 -1.057 -2.342) 5.417 3.560 ( 2.166 2.659 4.828) 5.922 3.623 ( -2.527 -1.512 -1.332) 3.232 3.723 ( -0.388 1.851 2.897) 3.459 3.773 ( -0.437 1.463 0.596) 1.639 3.851 ( 3.263 -11.557 3.171) 12.420 3.973 ( 4.599 1.373 5.513) 7.309 4.025 ( -0.372 -3.606 0.541) 3.665 4.128 ( 5.223 2.791 2.213) 6.322 4.162 ( 4.702 -0.024 -9.478) 10.580 4.290 ( 3.683 0.178 4.082) 5.501 4.361 ( -1.016 -1.378 6.771) 6.984 4.461 ( -8.779 -0.902 -1.157) 8.901 4.510 ( -9.599 10.397 0.232) 14.153 4.533 ( -3.841 1.920 -1.615) 4.588 4.732 ( -2.344 2.411 4.434) 5.565 4.745 ( 10.221 -0.213 -0.860) 10.259 4.822 ( 1.065 -3.974 -3.404) 5.340 4.986 ( -3.767 5.037 -1.023) 6.372 5.046 ( -4.364 1.924 1.438) 4.981 5.101 ( -0.200 0.495 -4.476) 4.508 5.210 ( 4.712 -1.206 -0.628) 4.904 5.252 ( -3.819 0.057 -5.091) 6.364 5.364 ( -1.339 -3.541 2.319) 4.440 5.451 ( -0.487 -3.979 -3.734) 5.478 5.550 ( 2.033 -6.399 3.348) 7.503 5.563 ( -3.761 -1.957 0.626) 4.285 5.624 ( -2.497 5.399 3.038) 6.680 5.750 ( 1.110 -2.587 -2.643) 3.861 5.788 ( 4.453 1.219 -5.554) 7.223 5.818 ( -5.370 5.585 0.591) 7.770 5.880 ( -5.467 2.787 -0.093) 6.137 5.910 ( -0.882 1.799 0.444) 2.052 5.997 ( -2.391 4.829 -0.684) 5.432 6.083 ( 1.682 -1.067 -2.310) 3.050 6.161 ( 2.552 -8.932 -2.929) 9.740 6.186 ( 4.013 2.088 1.158) 4.670 6.271 ( -0.581 -1.310 -2.036) 2.490 6.416 ( 4.883 -0.832 4.778) 6.882 6.535 ( -5.256 3.066 5.109) 7.945 6.554 ( 1.375 -0.387 3.431) 3.716 6.672 ( -1.572 6.130 -1.297) 6.459 6.838 ( 3.406 -3.639 0.145) 4.987 6.956 ( 1.041 0.576 1.318) 1.776 7.114 ( 4.302 -2.162 3.455) 5.926 7.230 ( 2.097 1.426 4.484) 5.152 7.319 ( 0.374 -2.658 2.766) 3.854 7.533 ( 5.682 -4.539 -1.740) 7.477 7.660 ( 1.310 -1.146 -1.485) 2.288 7.698 ( 5.087 6.265 1.307) 8.175 7.826 ( 1.136 0.726 -2.546) 2.881 7.901 ( -4.767 -1.972 -3.369) 6.162 8.052 ( 0.159 -1.097 -0.360) 1.166 8.144 ( 5.513 -2.449 -1.646) 6.253 8.172 ( 5.741 0.897 -2.554) 6.347 8.263 ( 4.515 -3.235 2.646) 6.153 8.340 ( -2.644 1.357 2.695) 4.012 8.395 ( 0.028 3.954 -2.198) 4.525 8.576 ( -5.020 -0.175 0.006) 5.023 8.612 ( -0.483 0.531 3.395) 3.470 8.675 ( -1.318 -4.278 -1.396) 4.689 8.752 ( -2.137 7.357 -2.361) 8.017 8.805 ( -2.377 5.969 3.555) 7.343 8.840 ( -0.396 0.483 -2.540) 2.616 8.910 ( 1.282 -5.254 -7.464) 9.218 9.068 ( -2.488 -0.832 3.031) 4.008 9.078 ( -1.809 -5.377 0.085) 5.674 9.162 ( 5.778 3.440 0.912) 6.786 9.244 ( -1.588 2.665 0.146) 3.106 9.271 ( 3.041 2.659 2.555) 4.780 9.307 ( 1.000 0.440 -1.102) 1.551 9.420 ( -3.223 -0.560 -3.871) 5.068 9.533 ( 0.588 0.116 4.402) 4.442 9.594 ( 6.328 -0.380 -1.581) 6.534 9.748 ( -4.989 -0.501 -1.833) 5.338 9.839 ( 2.337 5.265 -1.714) 6.010 9.955 ( 1.048 -2.170 0.543) 2.470 10.042 ( -1.237 -3.057 2.763) 4.302 10.130 ( 0.565 -5.755 -3.993) 7.027 10.191 ( 11.771 0.687 -5.666) 13.082 10.262 ( -0.788 -0.135 5.790) 5.845 10.325 ( 2.913 5.080 -1.543) 6.056 11.238 ( -2.519 -0.954 1.741) 3.207 11.287 ( -1.954 -2.425 -1.633) 3.516 11.334 ( 0.266 0.456 -0.423) 0.676 11.369 ( -0.181 0.157 0.226) 0.330 11.382 ( 0.791 0.212 1.532) 1.737 11.530 ( 2.200 -1.965 7.177) 7.760 11.654 ( -1.884 -0.623 2.911) 3.523 11.676 ( -1.447 -0.125 -1.909) 2.399 11.816 ( 1.490 -0.646 0.676) 1.759 11.851 ( 0.616 4.597 -1.558) 4.893 12.216 ( -1.946 -3.185 0.550) 3.773 12.279 ( -0.091 -4.976 0.006) 4.977 12.667 ( -0.797 0.526 -1.750) 1.994 12.763 ( -0.727 -0.672 -0.146) 1.000 12.790 ( 2.977 0.646 1.230) 3.286 12.908 ( -1.043 0.409 2.869) 3.080 12.928 ( -0.209 -0.551 0.358) 0.690 12.931 ( 3.639 0.411 3.162) 4.838 13.084 ( -3.216 0.505 -4.818) 5.815 13.173 ( 0.982 -0.906 0.791) 1.552 13.259 ( -1.318 -2.784 0.092) 3.081 13.266 ( -0.277 -3.375 2.772) 4.376 13.353 ( -3.494 -1.523 -2.960) 4.826 13.439 ( 0.687 -1.272 2.291) 2.709 13.712 ( -4.374 1.337 -2.789) 5.357 13.838 ( 0.670 0.690 3.363) 3.498 13.854 ( 0.125 -1.319 -2.706) 3.012 13.999 ( 3.217 0.083 2.254) 3.929 15.309 ( -0.219 -1.309 -2.197) 2.567 15.354 ( 0.469 1.402 1.784) 2.316 15.412 ( -0.944 -3.178 0.769) 3.404 15.457 ( 0.429 -0.464 -0.791) 1.012 15.742 ( -2.208 -0.053 -1.631) 2.746 15.785 ( -1.233 0.826 1.558) 2.152 15.863 ( 0.252 -0.971 -0.762) 1.260 15.917 ( 0.916 -0.648 -1.824) 2.142 15.984 ( 1.309 0.775 -0.664) 1.660 16.059 ( 2.020 2.512 -0.099) 3.225 16.337 ( 0.047 -3.006 1.071) 3.191 16.424 ( 2.236 -3.412 -1.442) 4.327 16.485 ( 0.729 1.916 0.839) 2.215 16.505 ( 1.537 0.618 -0.580) 1.755 16.532 ( -2.624 2.223 0.468) 3.470 16.646 ( 0.449 3.193 0.922) 3.353 16.888 ( 0.104 0.847 -2.231) 2.389 16.913 ( 1.306 -0.617 1.084) 1.806 16.940 ( 0.617 -0.583 0.318) 0.906 16.987 ( 1.534 2.259 0.585) 2.793 17.204 ( -1.450 1.390 0.470) 2.063 17.243 ( 0.008 0.118 0.576) 0.588 17.294 ( -1.450 1.072 1.678) 2.464 17.317 ( -0.779 -1.672 -0.887) 2.047 17.455 ( -0.673 -0.968 4.313) 4.471 17.472 ( -0.587 -0.894 -0.202) 1.089 17.573 ( -1.570 -1.080 0.153) 1.912 17.608 ( -1.009 -0.903 -0.211) 1.370 18.037 ( -1.059 -2.133 2.390) 3.373 18.065 ( -1.529 -2.434 -2.727) 3.962 18.110 ( -0.746 -0.743 -1.016) 1.463 18.152 ( 1.775 -3.682 -5.391) 6.766 18.310 ( -1.297 0.370 2.071) 2.472 18.388 ( 0.500 2.004 -2.309) 3.098 18.448 ( -1.165 3.716 -2.502) 4.629 18.538 ( 1.103 3.204 -0.303) 3.402 19.059 ( -1.735 2.260 1.528) 3.233 19.155 ( 0.770 2.777 -2.663) 3.924 19.355 ( -1.557 -3.312 -2.000) 4.170 19.528 ( 4.928 -3.007 2.251) 6.196 28.299 ( -0.257 1.216 0.691) 1.422 28.345 ( 0.826 0.341 -0.444) 0.998 28.500 ( -1.126 2.468 0.120) 2.715 28.645 ( 0.627 -0.648 -2.149) 2.330 28.816 ( -0.392 2.632 -2.591) 3.714 28.926 ( 2.235 -0.047 4.304) 4.850 29.032 ( -1.073 2.413 2.110) 3.380 29.133 ( 3.631 1.657 0.991) 4.112 29.398 ( -4.129 2.172 1.238) 4.827 29.471 ( -1.858 1.859 -1.569) 3.061 29.600 ( -3.181 1.533 -1.155) 3.715 29.714 ( 0.623 0.315 0.610) 0.927 29.746 ( 0.913 -1.429 1.308) 2.142 29.827 ( 1.846 1.666 0.082) 2.488 29.869 ( 1.050 -1.694 0.316) 2.017 29.915 ( 0.651 -1.127 -0.895) 1.579 30.126 ( -1.660 1.728 -0.230) 2.407 30.182 ( 0.882 0.987 1.394) 1.923 30.238 ( -0.642 1.700 1.181) 2.167 30.286 ( -1.047 4.253 0.755) 4.444 30.356 ( -1.462 -0.444 -6.880) 7.047 30.490 ( 0.606 1.431 0.545) 1.647 30.636 ( -0.881 -0.186 -3.458) 3.574 30.772 ( -5.758 -0.044 3.202) 6.588 30.841 ( -1.719 2.177 2.259) 3.577 30.955 ( 3.503 0.033 2.702) 4.424 31.013 ( 0.618 -1.872 0.607) 2.063 31.121 ( 3.113 0.602 2.481) 4.026 31.258 ( 6.033 2.310 -5.286) 8.348 31.325 ( -0.997 6.376 -0.247) 6.458 31.393 ( 1.417 -0.629 -1.000) 1.845 31.518 ( 3.040 2.096 -0.016) 3.692 31.640 ( 5.862 0.115 -0.570) 5.891 31.674 ( -2.794 0.893 1.499) 3.294 31.722 ( 3.059 4.151 1.327) 5.324 31.820 ( 0.676 3.899 -1.777) 4.338 32.014 ( -2.159 1.603 -2.735) 3.836 32.085 ( 0.945 0.680 5.014) 5.147 32.729 ( -4.365 0.369 -0.136) 4.383 32.803 ( 0.127 -0.084 1.966) 1.972 33.722 ( -18.016 1.969 -0.351) 18.127 34.135 ( -2.842 -0.490 21.087) 21.283 34.375 ( 2.774 -9.562 -4.124) 10.776 34.581 ( 8.397 -0.318 -3.133) 8.968 34.789 ( -6.325 -10.770 -0.786) 12.515 34.942 ( -2.183 -5.823 -2.050) 6.548 35.521 ( -0.424 -6.759 -15.928) 17.308 35.775 ( 9.700 -5.922 3.160) 11.796 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -26.090 14.243 7.791) 30.729 0.814 ( -21.230 17.145 11.750) 29.711 1.475 ( -33.892 30.321 12.764) 47.233 2.050 ( -5.205 4.779 -4.383) 8.315 2.134 ( 3.311 -6.462 -8.425) 11.122 2.298 ( 1.501 10.179 5.053) 11.463 2.398 ( -3.286 -1.169 8.220) 8.929 2.459 ( 1.507 2.798 7.647) 8.281 2.638 ( 1.972 0.605 -7.226) 7.515 2.737 ( 0.208 -4.393 -1.457) 4.633 2.807 ( 2.592 5.139 -4.974) 7.607 2.890 ( 9.916 -3.705 -5.081) 11.742 2.973 ( -0.729 -3.794 1.679) 4.212 3.030 ( -2.884 1.409 1.515) 3.550 3.111 ( 7.136 2.545 2.164) 7.879 3.241 ( 1.718 -3.715 -7.262) 8.336 3.268 ( -4.351 -6.637 -0.019) 7.936 3.342 ( 9.651 4.357 -1.580) 10.706 3.539 ( -4.440 -1.295 0.437) 4.645 3.582 ( 4.181 -4.776 -2.095) 6.684 3.617 ( -3.867 2.680 -3.512) 5.871 3.680 ( 10.844 3.067 0.982) 11.312 3.812 ( -2.107 5.386 -2.638) 6.356 3.886 ( -1.578 -0.109 1.341) 2.073 3.952 ( -9.848 -4.871 -0.886) 11.022 4.059 ( -2.055 -2.926 0.912) 3.690 4.094 ( -2.545 -1.692 -1.123) 3.257 4.195 ( 3.087 -5.702 -10.677) 12.492 4.282 ( 3.875 -0.040 2.040) 4.379 4.317 ( -8.408 2.957 5.253) 10.346 4.431 ( 2.847 -2.009 3.735) 5.108 4.511 ( 0.277 1.615 6.635) 6.834 4.644 ( 6.297 -1.226 4.584) 7.885 4.675 ( -4.434 0.928 3.085) 5.480 4.839 ( 5.148 5.372 -5.403) 9.195 4.902 ( 3.296 3.431 -3.547) 5.935 4.911 ( -0.841 2.913 3.582) 4.693 4.929 ( -1.348 1.173 1.740) 2.494 5.106 ( 1.646 1.711 -4.848) 5.398 5.158 ( -1.562 3.746 -0.314) 4.071 5.289 ( 2.736 -1.877 4.353) 5.473 5.367 ( -1.687 -2.271 0.703) 2.915 5.388 ( -4.290 -1.390 -0.289) 4.519 5.487 ( -4.113 2.202 1.764) 4.988 5.595 ( -4.857 -2.576 0.154) 5.500 5.655 ( 0.439 1.328 1.690) 2.194 5.685 ( -4.208 -0.794 -1.971) 4.714 5.706 ( -6.390 4.190 0.674) 7.671 5.746 ( -0.824 -2.941 -0.910) 3.187 5.831 ( -0.267 0.338 -5.699) 5.715 5.889 ( 3.471 -0.031 2.705) 4.401 6.013 ( -1.492 2.528 5.836) 6.532 6.048 ( -2.134 0.630 1.665) 2.779 6.184 ( 0.555 -9.079 -3.137) 9.621 6.260 ( 5.821 -1.275 -0.399) 5.972 6.332 ( 4.853 2.679 0.253) 5.549 6.498 ( -2.577 1.183 0.078) 2.837 6.532 ( -3.217 -0.709 2.889) 4.382 6.588 ( 1.315 0.866 3.782) 4.097 6.642 ( -0.076 0.759 0.557) 0.944 6.886 ( 2.670 -5.880 -1.612) 6.656 6.974 ( 1.048 -3.021 -0.334) 3.216 7.214 ( -0.616 -5.313 -2.976) 6.121 7.258 ( 9.169 -5.598 -1.304) 10.822 7.367 ( 0.468 -3.501 -0.232) 3.540 7.488 ( -2.593 2.134 -11.469) 11.951 7.687 ( -1.031 -3.142 2.426) 4.101 7.780 ( 4.137 -5.411 1.909) 7.074 7.839 ( 1.624 3.146 -0.566) 3.586 7.886 ( 0.005 -2.241 3.670) 4.301 8.018 ( 3.904 -0.755 -6.562) 7.673 8.194 ( 1.149 -1.184 -2.631) 3.106 8.216 ( 2.369 4.810 0.261) 5.368 8.329 ( 4.421 1.378 -2.434) 5.232 8.355 ( 3.196 -4.415 2.011) 5.810 8.435 ( 1.435 6.321 4.964) 8.164 8.457 ( -4.520 -3.389 -2.527) 6.189 8.608 ( -5.094 -1.288 -1.600) 5.493 8.655 ( -0.969 -1.010 -0.168) 1.409 8.708 ( 0.583 1.047 -1.099) 1.626 8.800 ( -5.689 -0.560 5.780) 8.129 8.810 ( 1.744 3.052 2.945) 4.586 8.902 ( 1.385 -3.936 -2.892) 5.077 9.016 ( -4.265 -1.954 1.188) 4.840 9.131 ( 3.211 3.155 3.111) 5.472 9.175 ( -2.885 13.990 -0.733) 14.303 9.236 ( 0.692 -3.208 -1.666) 3.680 9.272 ( -1.849 1.619 -1.410) 2.834 9.343 ( 2.665 2.782 0.455) 3.879 9.400 ( 4.675 -1.081 1.717) 5.097 9.584 ( -3.066 4.470 4.061) 6.773 9.642 ( 0.915 0.163 -3.702) 3.817 9.696 ( 1.467 -4.982 3.781) 6.424 9.867 ( 3.088 8.564 -2.648) 9.481 9.958 ( -0.277 -1.006 0.165) 1.057 10.053 ( -0.179 -3.630 2.299) 4.301 10.083 ( 0.276 -5.651 -3.408) 6.605 10.256 ( 3.593 0.573 -4.858) 6.069 10.302 ( -0.240 1.403 1.984) 2.441 10.440 ( 11.743 10.409 -4.305) 16.272 11.205 ( -2.977 1.675 1.701) 3.816 11.257 ( -0.380 -2.735 -0.313) 2.779 11.326 ( 0.224 0.469 -1.425) 1.516 11.368 ( 1.030 -0.969 -1.390) 1.983 11.412 ( -0.764 0.031 2.619) 2.729 11.582 ( -0.992 1.146 -0.576) 1.621 11.636 ( -0.780 -1.316 -0.880) 1.765 11.712 ( -1.134 -7.427 7.788) 10.821 11.845 ( 1.443 4.589 -1.438) 5.021 11.888 ( 4.811 -4.531 -0.416) 6.622 12.207 ( 0.689 -0.959 0.591) 1.321 12.254 ( -1.013 -5.102 -2.061) 5.595 12.660 ( 0.806 -1.121 0.174) 1.392 12.756 ( 0.884 -0.466 -0.537) 1.134 12.830 ( -0.385 -0.825 1.301) 1.587 12.922 ( 0.210 -1.071 0.020) 1.091 12.943 ( -1.191 0.154 -1.694) 2.077 12.969 ( -2.385 0.073 0.147) 2.391 13.003 ( -1.536 0.304 2.124) 2.639 13.185 ( 0.831 -1.203 -0.901) 1.717 13.261 ( -0.785 -1.935 -0.984) 2.308 13.269 ( -1.125 -0.630 -1.180) 1.748 13.310 ( 1.731 -2.341 0.339) 2.931 13.451 ( -0.417 -1.713 -0.285) 1.786 13.636 ( -2.212 1.270 0.232) 2.561 13.819 ( 0.284 -3.314 -0.025) 3.327 13.905 ( 0.317 1.440 1.569) 2.153 14.048 ( 0.777 1.165 0.249) 1.423 15.297 ( 1.582 -0.072 -1.837) 2.425 15.376 ( -0.147 3.256 1.125) 3.448 15.404 ( -1.682 -2.091 1.544) 3.096 15.455 ( 0.744 0.502 -0.962) 1.315 15.686 ( -1.739 1.048 -1.292) 2.406 15.770 ( -2.090 2.915 -0.394) 3.608 15.870 ( 0.149 -1.411 2.089) 2.525 15.929 ( 0.591 -0.914 1.676) 1.998 16.020 ( 3.080 -1.187 -0.535) 3.344 16.071 ( 0.330 0.075 -1.052) 1.105 16.354 ( 0.316 -0.546 0.290) 0.695 16.439 ( -0.298 0.847 -0.448) 1.004 16.469 ( 0.153 -0.545 -0.319) 0.649 16.500 ( -0.578 -2.034 -0.087) 2.116 16.579 ( 3.163 2.553 1.435) 4.310 16.670 ( 1.341 3.277 0.036) 3.541 16.863 ( 0.910 0.843 -2.128) 2.464 16.949 ( 0.954 -0.262 1.097) 1.477 16.957 ( 0.383 -0.006 1.069) 1.136 17.008 ( 0.518 0.850 -0.370) 1.062 17.189 ( -1.442 0.992 0.586) 1.846 17.241 ( -0.825 0.001 -0.509) 0.969 17.283 ( -1.190 -0.497 0.865) 1.553 17.320 ( 0.848 -2.268 1.134) 2.674 17.445 ( -1.640 -0.717 0.218) 1.803 17.502 ( -2.104 -4.391 1.728) 5.167 17.548 ( -0.524 0.060 0.730) 0.901 17.579 ( -3.100 -1.370 -0.814) 3.486 18.009 ( 0.446 -0.543 -1.779) 1.912 18.025 ( -0.870 -1.034 -1.691) 2.165 18.074 ( -2.110 1.170 1.040) 2.627 18.085 ( -1.277 -0.415 -1.935) 2.355 18.309 ( -1.533 2.165 -3.333) 4.260 18.349 ( 1.696 -2.058 3.720) 4.577 18.478 ( 2.305 3.321 3.606) 5.417 18.528 ( -1.586 1.539 -0.698) 2.317 19.049 ( -1.221 2.264 1.029) 2.770 19.136 ( 0.925 3.452 -3.003) 4.668 19.313 ( -1.348 -1.383 1.536) 2.467 19.617 ( 2.759 -3.855 0.674) 4.789 28.309 ( 0.044 2.032 1.091) 2.307 28.359 ( 0.739 0.878 0.577) 1.284 28.482 ( 0.310 1.433 -2.430) 2.838 28.620 ( 2.023 0.756 -4.615) 5.095 28.810 ( -0.147 2.011 0.945) 2.227 28.940 ( -0.863 0.138 -1.055) 1.370 29.085 ( 1.256 -2.686 3.941) 4.932 29.228 ( -2.522 -4.940 5.382) 7.728 29.385 ( 2.415 7.600 0.788) 8.013 29.450 ( 2.938 1.688 0.079) 3.389 29.532 ( -2.887 1.716 -0.426) 3.385 29.707 ( -0.711 2.041 -1.203) 2.473 29.795 ( -0.495 -1.939 3.098) 3.688 29.863 ( 1.548 0.271 -0.133) 1.577 29.901 ( 1.946 0.567 0.532) 2.095 29.920 ( 2.269 -0.483 -0.746) 2.437 30.078 ( -2.625 2.895 -0.329) 3.921 30.220 ( 0.974 2.012 1.670) 2.791 30.238 ( 0.441 0.333 -4.328) 4.363 30.246 ( -1.075 1.133 0.866) 1.786 30.363 ( 4.042 -0.230 4.669) 6.179 30.497 ( 0.254 1.528 0.668) 1.687 30.572 ( -2.519 3.326 -2.429) 4.828 30.710 ( -4.851 1.015 2.346) 5.483 30.829 ( -1.803 0.337 1.260) 2.225 30.960 ( 3.447 4.045 -0.402) 5.329 31.135 ( 3.849 -5.052 0.225) 6.355 31.139 ( 1.250 -3.888 -2.676) 4.883 31.332 ( 4.342 2.893 -1.260) 5.367 31.352 ( 3.373 4.338 -0.107) 5.496 31.403 ( 4.312 -1.320 -2.421) 5.118 31.541 ( -0.481 -0.684 0.213) 0.863 31.615 ( -4.000 1.788 -0.075) 4.382 31.702 ( -0.195 0.003 -1.504) 1.517 31.795 ( 3.564 0.344 0.066) 3.581 31.803 ( 0.156 -1.527 -0.515) 1.619 31.948 ( -1.589 4.862 -2.693) 5.781 32.095 ( -0.868 0.187 -4.234) 4.326 32.645 ( -4.660 3.559 0.338) 5.873 32.809 ( -0.627 -0.332 -0.884) 1.134 33.452 ( -10.793 7.022 -2.178) 13.059 34.054 ( -15.314 3.859 -33.078) 36.655 34.632 ( 7.421 -5.697 12.565) 15.665 34.677 ( 0.099 -7.675 7.001) 10.389 34.701 ( -1.004 -12.792 13.836) 18.870 34.902 ( 3.008 -5.172 5.024) 7.813 35.304 ( -1.696 1.755 -2.867) 3.765 35.939 ( 5.192 -8.567 2.142) 10.244 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 2.943 20.581 19.439) 28.463 1.352 ( -3.229 20.770 19.866) 28.922 1.932 ( -1.587 -5.011 -5.828) 7.848 2.024 ( 8.055 27.747 3.494) 29.103 2.140 ( -6.594 -13.978 2.147) 15.604 2.224 ( 10.037 6.738 -9.180) 15.179 2.352 ( 2.230 -1.612 -6.277) 6.853 2.423 ( -12.548 2.074 -9.185) 15.688 2.639 ( -10.592 8.758 -2.672) 14.002 2.717 ( 0.548 -0.208 -6.692) 6.718 2.784 ( 3.637 -6.132 -3.582) 7.979 2.901 ( 3.453 3.175 1.154) 4.831 2.917 ( 2.672 3.401 -0.811) 4.401 3.081 ( -7.827 1.512 5.544) 9.710 3.128 ( 0.124 5.584 -1.332) 5.742 3.201 ( 9.345 -2.231 -4.576) 10.642 3.344 ( 6.038 -9.105 9.432) 14.434 3.386 ( -5.644 -2.128 2.706) 6.612 3.442 ( 2.592 -3.023 -3.158) 5.082 3.528 ( -5.355 -0.986 -7.428) 9.210 3.588 ( 0.249 0.854 -3.247) 3.366 3.729 ( 6.760 2.849 -1.164) 7.428 3.803 ( 1.410 -1.583 0.638) 2.213 3.892 ( -5.972 3.328 -0.279) 6.842 3.919 ( -1.990 -5.619 7.135) 9.297 3.960 ( -8.867 -1.663 0.007) 9.022 4.139 ( 0.882 2.783 0.909) 3.057 4.203 ( 6.043 4.547 -4.507) 8.803 4.283 ( 9.403 3.708 4.198) 10.945 4.355 ( -0.735 -0.010 4.845) 4.900 4.434 ( 0.063 -1.909 2.944) 3.509 4.546 ( -3.589 1.746 3.954) 5.618 4.636 ( -2.914 -0.792 1.532) 3.386 4.772 ( -2.824 0.726 -4.196) 5.110 4.806 ( 0.547 1.715 -0.166) 1.807 4.868 ( -2.705 -1.461 1.039) 3.245 5.025 ( -0.730 2.304 -2.522) 3.493 5.037 ( 2.245 -0.718 4.476) 5.058 5.154 ( 3.027 -1.259 -1.846) 3.763 5.236 ( -5.482 -5.871 -4.542) 9.228 5.291 ( 1.655 -0.941 -4.353) 4.751 5.324 ( 0.535 -0.838 7.163) 7.232 5.430 ( -2.429 6.976 1.592) 7.556 5.448 ( 2.229 3.959 9.333) 10.380 5.586 ( 0.945 -2.465 1.602) 3.088 5.617 ( 0.783 0.210 5.692) 5.749 5.644 ( 4.668 -0.389 -3.314) 5.738 5.687 ( -0.559 3.639 -1.186) 3.868 5.799 ( 1.513 1.371 3.266) 3.851 5.828 ( 1.840 -1.097 0.599) 2.224 5.923 ( 1.549 -1.182 0.357) 1.981 6.000 ( 1.347 -4.979 -1.805) 5.465 6.040 ( 2.089 2.738 3.333) 4.793 6.164 ( -0.330 -0.483 3.557) 3.604 6.281 ( -1.270 -1.075 -5.485) 5.732 6.320 ( -4.899 -2.410 4.154) 6.861 6.361 ( -2.969 -1.329 -6.283) 7.075 6.483 ( -0.767 -0.438 -2.423) 2.579 6.552 ( -2.476 -0.086 -4.093) 4.785 6.662 ( 2.500 -5.680 -4.051) 7.411 6.820 ( -3.796 2.014 1.161) 4.451 6.956 ( -0.514 0.782 -0.759) 1.205 7.096 ( -3.863 -7.295 -8.412) 11.785 7.164 ( -0.223 -5.481 -2.802) 6.160 7.216 ( 4.277 -2.153 4.806) 6.784 7.438 ( 0.985 -9.004 -0.447) 9.069 7.569 ( 4.276 2.597 -0.992) 5.100 7.678 ( -2.631 -2.726 -1.867) 4.223 7.839 ( -0.226 -2.633 -1.275) 2.934 7.911 ( -2.441 0.975 -1.024) 2.821 8.023 ( -1.385 -6.836 0.368) 6.985 8.176 ( -2.297 -8.630 -1.677) 9.087 8.284 ( 0.391 6.231 2.054) 6.572 8.309 ( -0.562 3.721 -1.979) 4.251 8.388 ( 5.476 0.952 -2.483) 6.087 8.484 ( -0.151 4.372 0.865) 4.459 8.556 ( 0.454 0.914 5.000) 5.103 8.602 ( 7.640 3.518 -1.819) 8.605 8.630 ( -5.338 2.816 -5.263) 8.008 8.689 ( 0.915 -5.187 5.700) 7.761 8.729 ( -2.866 0.872 1.415) 3.313 8.806 ( -0.737 0.442 -2.509) 2.652 8.932 ( 5.056 -1.707 4.227) 6.808 8.994 ( 0.436 0.054 1.952) 2.001 9.156 ( 1.426 -2.742 2.771) 4.151 9.255 ( 0.584 0.591 2.143) 2.298 9.315 ( -0.846 5.921 1.527) 6.173 9.381 ( 0.247 3.462 0.588) 3.520 9.481 ( -1.078 5.213 -0.575) 5.354 9.558 ( -1.627 1.484 -3.172) 3.861 9.592 ( 3.073 6.258 1.783) 7.196 9.612 ( 1.475 0.844 -0.064) 1.701 9.759 ( -2.541 2.985 4.293) 5.813 9.863 ( -1.494 -4.343 0.985) 4.697 9.897 ( -2.514 -6.895 -0.145) 7.340 9.981 ( 4.154 -7.381 1.123) 8.544 10.138 ( 0.273 9.766 -1.227) 9.846 10.214 ( -1.672 1.564 -3.074) 3.833 10.337 ( -2.259 -0.157 1.090) 2.513 10.558 ( 2.833 -4.535 -5.170) 7.438 11.216 ( -1.674 0.629 2.488) 3.064 11.256 ( 2.505 2.142 -1.002) 3.445 11.325 ( 1.479 -0.579 -0.602) 1.698 11.354 ( -1.078 -0.547 -0.997) 1.567 11.399 ( -0.896 -1.059 1.292) 1.896 11.496 ( -2.384 -7.893 -0.575) 8.265 11.596 ( -0.144 0.272 -0.435) 0.533 11.623 ( 0.911 -1.451 -0.243) 1.731 11.847 ( -1.442 2.421 2.565) 3.810 11.953 ( 0.681 3.118 -1.428) 3.496 12.122 ( 0.572 -5.156 -1.102) 5.304 12.162 ( -0.570 -3.084 -2.831) 4.225 12.696 ( 2.098 1.385 1.103) 2.745 12.765 ( -1.758 -1.706 -0.502) 2.501 12.785 ( 0.815 1.515 -0.054) 1.721 12.875 ( -0.576 -0.554 -1.950) 2.108 12.928 ( -0.259 0.692 -0.392) 0.836 12.955 ( -2.524 1.702 -0.900) 3.175 13.068 ( 1.548 0.663 2.825) 3.289 13.138 ( -0.041 -2.713 -1.001) 2.892 13.180 ( -0.869 -2.417 -1.636) 3.045 13.197 ( -0.996 -0.560 -4.992) 5.122 13.294 ( 0.467 -0.360 0.831) 1.019 13.376 ( -0.328 -3.353 -2.029) 3.933 13.683 ( 1.766 2.203 2.474) 3.754 13.774 ( 0.601 -2.052 0.028) 2.139 13.942 ( -0.984 1.933 0.832) 2.324 14.034 ( -1.456 -1.366 -1.921) 2.771 15.326 ( 1.121 0.352 0.294) 1.211 15.360 ( -0.570 -1.849 0.953) 2.157 15.415 ( -2.090 3.332 -2.620) 4.726 15.457 ( 0.394 1.034 -4.172) 4.316 15.761 ( 1.722 3.760 1.750) 4.491 15.808 ( -1.831 4.389 -0.498) 4.781 15.885 ( 0.293 -2.125 4.637) 5.109 15.924 ( -0.221 -1.996 1.675) 2.615 16.015 ( 0.571 -1.517 -0.387) 1.666 16.042 ( 1.023 -1.709 0.322) 2.018 16.404 ( 1.798 2.428 -1.156) 3.235 16.409 ( -3.905 1.520 -1.503) 4.452 16.472 ( 1.908 -0.971 2.530) 3.314 16.500 ( 1.917 -0.688 2.211) 3.006 16.631 ( -1.477 0.835 -0.583) 1.794 16.652 ( -3.605 0.214 -3.412) 4.969 16.894 ( 2.970 -0.051 -0.989) 3.131 16.925 ( -1.508 -1.390 -1.416) 2.492 16.991 ( -0.155 0.613 2.297) 2.383 17.007 ( 0.416 0.265 0.064) 0.497 17.194 ( -0.625 -0.642 -1.393) 1.656 17.221 ( 1.251 1.347 -1.387) 2.303 17.290 ( -0.618 0.944 1.971) 2.271 17.327 ( 0.924 -1.019 2.264) 2.649 17.376 ( -2.576 -2.100 2.268) 4.023 17.409 ( -2.341 -1.069 -0.335) 2.595 17.536 ( 0.873 1.057 -1.086) 1.749 17.564 ( 1.063 0.143 -0.348) 1.128 17.975 ( 0.291 0.637 -1.486) 1.643 18.050 ( 0.309 -1.889 -2.066) 2.816 18.075 ( -0.240 0.561 0.541) 0.816 18.105 ( 1.843 0.021 0.965) 2.081 18.336 ( 0.129 1.267 3.226) 3.468 18.401 ( 2.593 -1.521 3.573) 4.670 18.524 ( -0.782 1.603 0.612) 1.886 18.572 ( 0.932 -0.286 1.271) 1.602 19.100 ( -0.412 3.627 1.097) 3.812 19.187 ( 1.297 2.402 -2.943) 4.015 19.337 ( 0.222 -0.877 4.698) 4.785 19.514 ( -1.398 -6.179 -2.313) 6.744 28.380 ( -0.075 2.748 1.611) 3.186 28.406 ( -0.042 0.914 2.251) 2.430 28.494 ( -0.076 3.147 -0.876) 3.268 28.619 ( 1.607 -0.267 -2.483) 2.970 28.866 ( 1.411 3.280 -1.458) 3.857 28.928 ( 1.189 0.200 -1.842) 2.202 29.036 ( 0.942 -5.922 0.264) 6.003 29.077 ( -3.801 -4.934 0.993) 6.307 29.485 ( -0.481 1.260 0.819) 1.578 29.534 ( 0.673 0.646 2.986) 3.128 29.587 ( 2.145 7.125 -1.251) 7.546 29.713 ( -3.189 0.387 -1.776) 3.670 29.770 ( -0.879 1.124 1.680) 2.204 29.847 ( -1.497 -1.571 -0.538) 2.236 29.875 ( 0.144 -0.899 0.784) 1.201 29.939 ( 0.472 -1.730 -0.623) 1.898 30.176 ( 1.265 6.582 -0.590) 6.728 30.226 ( -2.115 3.098 -1.087) 3.906 30.247 ( 1.033 0.539 0.359) 1.219 30.263 ( -0.868 1.126 0.180) 1.433 30.384 ( 0.380 -6.297 5.528) 8.388 30.555 ( 2.953 -1.063 -1.968) 3.704 30.643 ( 1.286 3.493 -0.809) 3.809 30.660 ( -1.360 -0.822 -2.222) 2.732 30.832 ( -5.894 3.059 5.738) 8.776 30.976 ( 1.611 -1.557 -3.076) 3.806 31.119 ( 2.675 -0.606 1.647) 3.199 31.129 ( -0.999 -3.276 2.249) 4.098 31.335 ( -0.774 -0.517 -4.957) 5.043 31.381 ( 0.866 -0.828 -5.741) 5.864 31.468 ( -4.937 0.888 -2.569) 5.636 31.507 ( 3.213 1.857 0.351) 3.728 31.532 ( 3.084 -2.431 0.833) 4.014 31.553 ( -2.456 -1.421 -0.757) 2.936 31.789 ( 0.830 -0.086 0.303) 0.888 31.877 ( 3.629 -0.862 -2.616) 4.556 32.030 ( -0.334 5.886 0.937) 5.969 32.055 ( -1.410 2.956 -1.272) 3.514 32.711 ( -0.325 3.936 -0.291) 3.960 32.768 ( -0.646 0.236 -2.510) 2.602 33.660 ( 2.484 17.352 -0.346) 17.533 33.826 ( -5.497 17.078 -13.979) 22.744 34.414 ( 1.512 -14.712 0.636) 14.803 34.432 ( -6.535 -12.596 0.935) 14.221 34.849 ( 5.737 -0.720 6.564) 8.747 34.910 ( -2.646 -2.593 4.813) 6.074 35.490 ( 6.940 -4.882 10.381) 13.408 35.734 ( -1.984 -13.326 -1.341) 13.540 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.195 12.156 16.670) 20.666 1.611 ( 7.274 4.833 4.151) 9.670 1.824 ( -2.347 9.455 -0.976) 9.791 1.903 ( -7.224 16.633 -11.965) 21.726 2.119 ( -2.817 -12.262 -0.556) 12.594 2.130 ( -4.145 0.312 -5.063) 6.551 2.451 ( 14.545 3.350 -0.704) 14.942 2.518 ( 14.479 8.779 12.721) 21.179 2.553 ( 9.383 -7.659 -1.255) 12.177 2.690 ( -4.485 2.006 0.234) 4.919 2.783 ( -1.951 -5.521 -3.988) 7.085 2.881 ( -5.915 -10.280 2.639) 12.150 2.975 ( 2.012 0.892 -0.860) 2.363 3.007 ( -5.315 4.029 -1.865) 6.925 3.072 ( 4.613 8.888 -4.788) 11.100 3.243 ( -3.902 0.684 1.850) 4.373 3.297 ( -0.058 0.426 -3.208) 3.237 3.425 ( 5.363 5.260 -2.939) 8.066 3.482 ( 2.071 -1.398 -0.269) 2.513 3.537 ( -3.299 -2.259 -5.445) 6.755 3.571 ( -1.549 3.414 3.443) 5.090 3.654 ( 2.091 1.000 -5.325) 5.808 3.766 ( -6.895 -1.353 1.102) 7.112 3.813 ( -6.116 -3.498 2.847) 7.599 3.875 ( -3.658 2.013 8.268) 9.262 4.025 ( 0.312 -8.225 5.818) 10.080 4.115 ( 1.456 6.876 -5.204) 8.745 4.241 ( 3.321 -1.127 -1.100) 3.676 4.319 ( -2.753 5.968 -2.019) 6.876 4.403 ( -3.928 2.127 -1.471) 4.703 4.497 ( 0.839 1.000 -0.408) 1.368 4.587 ( -4.335 -2.907 0.972) 5.309 4.672 ( 12.703 5.901 7.034) 15.674 4.724 ( -3.435 3.189 7.092) 8.501 4.807 ( 4.970 0.074 -0.424) 4.988 4.863 ( -6.334 1.515 -5.577) 8.574 4.978 ( 4.135 -6.138 6.622) 9.931 5.020 ( -0.594 -6.071 -7.068) 9.336 5.124 ( -2.364 -3.142 1.243) 4.124 5.258 ( -2.943 1.395 0.691) 3.329 5.265 ( 3.500 0.118 3.795) 5.163 5.383 ( -0.826 3.359 -2.844) 4.478 5.442 ( -0.010 -5.112 3.156) 6.008 5.550 ( -2.411 2.627 3.642) 5.096 5.614 ( 1.326 5.076 1.879) 5.573 5.617 ( 3.274 -3.155 -0.508) 4.575 5.679 ( 0.191 -1.775 0.513) 1.858 5.722 ( 1.060 4.646 -3.660) 6.008 5.840 ( 2.088 3.046 -4.307) 5.674 5.878 ( 3.963 2.022 -0.915) 4.542 5.971 ( 4.709 0.554 -1.675) 5.029 6.022 ( 3.840 -0.880 -0.106) 3.941 6.083 ( -2.384 0.872 0.691) 2.630 6.197 ( 0.404 -4.140 -1.174) 4.322 6.245 ( 1.704 -7.583 6.523) 10.146 6.295 ( 2.362 -0.703 -1.662) 2.972 6.328 ( -3.997 -2.497 3.543) 5.896 6.392 ( -4.545 -1.412 -1.603) 5.022 6.475 ( 0.792 3.717 -1.832) 4.219 6.673 ( 5.935 -2.053 -4.915) 7.975 6.770 ( -4.903 -0.176 2.794) 5.646 6.921 ( -4.807 -4.235 1.897) 6.682 6.994 ( 0.479 0.909 -2.303) 2.522 7.099 ( -1.889 -2.503 -2.738) 4.163 7.339 ( 0.916 -0.430 -0.992) 1.417 7.430 ( 5.293 -6.085 -0.078) 8.065 7.566 ( -3.259 1.515 -3.408) 4.953 7.753 ( 11.332 -3.211 1.038) 11.824 7.825 ( -2.993 -3.857 -0.623) 4.922 7.906 ( 3.557 -4.304 1.140) 5.699 7.932 ( -7.237 -3.060 0.532) 7.876 8.169 ( 2.623 -6.085 1.352) 6.763 8.226 ( -7.280 4.315 -0.208) 8.465 8.359 ( -2.979 -0.758 2.422) 3.913 8.376 ( 1.911 0.855 -2.356) 3.152 8.448 ( -1.000 8.014 -7.184) 10.808 8.491 ( -2.384 6.785 -0.453) 7.206 8.645 ( 2.699 0.037 2.332) 3.567 8.673 ( 0.148 -0.347 -0.115) 0.394 8.727 ( 3.005 -0.017 1.879) 3.544 8.755 ( 2.312 -6.189 0.623) 6.636 8.844 ( 4.182 2.708 -0.755) 5.039 8.954 ( -1.727 2.673 -3.065) 4.418 9.064 ( 2.687 -1.008 2.066) 3.536 9.163 ( -2.318 -2.764 0.630) 3.662 9.253 ( -3.741 -1.838 1.940) 4.597 9.308 ( -3.168 4.727 1.302) 5.837 9.390 ( -0.797 6.010 1.528) 6.252 9.440 ( -1.462 1.521 -1.246) 2.451 9.489 ( -2.561 5.002 -0.783) 5.673 9.587 ( -5.140 4.977 2.422) 7.554 9.655 ( 2.311 0.146 -2.647) 3.517 9.782 ( -0.669 0.996 1.096) 1.624 9.790 ( -3.554 -2.671 1.202) 4.605 9.882 ( -2.058 -7.427 -0.189) 7.709 10.010 ( 1.248 3.656 -3.277) 5.066 10.124 ( -1.401 2.829 0.076) 3.158 10.187 ( -0.633 -5.127 3.246) 6.101 10.298 ( -3.537 -0.098 1.449) 3.824 10.470 ( -5.260 -2.990 -4.696) 7.659 11.221 ( -0.460 -0.326 1.315) 1.431 11.295 ( 2.765 1.888 -1.308) 3.595 11.308 ( -1.730 -1.195 -0.690) 2.213 11.346 ( 0.913 -0.089 0.224) 0.944 11.398 ( -2.930 -0.751 2.166) 3.720 11.459 ( -0.042 -3.460 0.433) 3.487 11.614 ( 2.470 0.974 -0.064) 2.656 11.645 ( 2.246 -1.605 -0.758) 2.863 11.841 ( -2.672 2.891 2.773) 4.816 11.938 ( -0.394 2.143 -1.607) 2.708 12.114 ( -0.553 -2.626 -1.806) 3.235 12.127 ( 0.202 -5.754 -0.634) 5.792 12.713 ( -0.544 1.698 -2.343) 2.944 12.763 ( 2.150 0.365 2.676) 3.452 12.814 ( -0.274 1.403 -2.480) 2.862 12.827 ( 0.043 1.050 0.967) 1.428 12.900 ( -1.814 -0.575 -0.803) 2.066 12.947 ( 0.358 -1.335 1.905) 2.353 13.131 ( 1.105 -2.139 0.004) 2.408 13.141 ( 2.189 -1.283 1.663) 3.033 13.152 ( 0.538 0.456 -1.927) 2.052 13.159 ( 0.753 -1.502 -0.920) 1.915 13.330 ( 2.068 -1.714 1.596) 3.124 13.344 ( -0.210 -2.728 -2.367) 3.617 13.741 ( -0.408 0.930 -1.704) 1.984 13.763 ( 2.237 0.227 0.350) 2.276 13.945 ( -1.979 0.317 1.229) 2.351 13.999 ( 0.388 -0.993 1.054) 1.499 15.318 ( -2.306 1.541 -1.763) 3.287 15.345 ( -0.935 -1.386 0.819) 1.862 15.378 ( -0.916 -0.940 0.704) 1.490 15.428 ( 0.410 -0.814 -1.312) 1.597 15.781 ( 0.079 4.333 -0.936) 4.434 15.810 ( 1.480 4.145 1.575) 4.675 15.929 ( -0.644 -2.340 2.196) 3.273 15.946 ( 1.303 -1.412 1.478) 2.424 16.023 ( 0.342 -0.337 0.450) 0.658 16.057 ( 0.784 -0.782 -1.871) 2.174 16.331 ( -3.146 2.055 0.287) 3.768 16.430 ( 1.093 -1.106 1.176) 1.950 16.501 ( -1.893 2.187 -3.193) 4.309 16.553 ( 1.982 -0.153 3.353) 3.898 16.556 ( -3.039 -0.715 -0.688) 3.197 16.611 ( -0.299 -1.086 0.789) 1.376 16.893 ( 0.706 1.732 -1.607) 2.466 16.938 ( 2.708 -0.188 -0.665) 2.795 16.992 ( -1.370 0.442 0.639) 1.575 17.009 ( -0.774 0.646 0.135) 1.017 17.183 ( 0.872 -1.080 -0.691) 1.551 17.225 ( 0.812 -0.120 -0.833) 1.169 17.287 ( -1.509 1.679 0.985) 2.463 17.359 ( -0.194 -0.958 1.792) 2.041 17.382 ( 0.266 -1.647 -0.113) 1.673 17.388 ( -1.468 -1.344 3.429) 3.965 17.544 ( 1.341 1.366 -1.144) 2.230 17.594 ( 2.706 -0.882 -0.970) 3.007 17.969 ( 0.114 0.654 0.234) 0.704 18.015 ( 0.594 -1.080 -3.088) 3.325 18.083 ( -0.093 0.042 0.727) 0.734 18.133 ( 1.114 -1.942 -0.902) 2.414 18.370 ( -0.866 2.371 2.595) 3.621 18.422 ( -0.794 0.872 -1.952) 2.281 18.551 ( 0.590 0.635 1.208) 1.487 18.592 ( 1.259 -1.087 -0.114) 1.668 19.108 ( -0.183 4.378 0.983) 4.491 19.179 ( 1.816 2.807 -2.556) 4.208 19.393 ( -1.761 -4.750 4.072) 6.499 19.441 ( -2.160 -4.667 -1.946) 5.498 28.380 ( -1.518 2.872 0.875) 3.364 28.419 ( -1.440 0.635 2.107) 2.630 28.482 ( -0.196 4.698 -1.051) 4.818 28.610 ( 1.619 1.050 -3.452) 3.954 28.875 ( 0.622 1.082 -0.011) 1.248 28.948 ( 2.735 -0.524 -1.568) 3.196 29.021 ( -1.535 -4.714 0.031) 4.958 29.088 ( 1.879 -5.610 1.676) 6.149 29.466 ( -2.835 5.060 1.041) 5.893 29.551 ( -1.374 4.304 -0.734) 4.577 29.607 ( -0.707 -1.028 1.894) 2.268 29.643 ( 0.366 0.859 -2.477) 2.647 29.786 ( 0.023 1.147 2.033) 2.334 29.832 ( -1.174 -1.742 1.239) 2.439 29.878 ( 0.015 0.209 0.025) 0.211 29.927 ( -0.796 -1.561 -0.340) 1.785 30.186 ( 0.283 4.253 -0.803) 4.338 30.227 ( -1.357 1.075 -0.036) 1.732 30.249 ( 4.842 5.376 1.211) 7.336 30.282 ( 0.566 0.722 0.260) 0.953 30.421 ( -0.816 -4.425 1.551) 4.759 30.579 ( 0.467 1.387 0.550) 1.563 30.621 ( 0.639 -1.702 -3.482) 3.928 30.689 ( 5.205 -0.888 -0.026) 5.280 30.807 ( -2.623 0.852 3.693) 4.609 30.953 ( -2.732 -2.294 1.580) 3.902 31.117 ( -1.945 1.815 2.672) 3.770 31.190 ( 0.112 0.846 2.537) 2.676 31.253 ( -2.542 0.365 -2.707) 3.731 31.306 ( 0.119 0.586 -6.392) 6.420 31.411 ( 2.161 4.630 -3.421) 6.149 31.469 ( 0.022 1.140 -0.524) 1.255 31.609 ( 3.916 -1.615 1.282) 4.425 31.675 ( 6.422 -5.819 -1.635) 8.819 31.763 ( -1.689 2.623 -1.276) 3.371 31.862 ( -1.450 -1.294 -2.946) 3.529 32.015 ( -1.006 5.306 -0.142) 5.403 32.053 ( 0.137 3.702 0.785) 3.787 32.699 ( -0.377 3.241 -0.169) 3.267 32.744 ( 0.487 0.894 -1.020) 1.441 33.634 ( 1.687 16.062 -1.688) 16.239 33.833 ( 10.595 13.911 -0.289) 17.489 34.362 ( -2.659 -13.650 2.634) 14.153 34.489 ( 4.694 -13.930 1.858) 14.817 34.818 ( -9.696 1.175 -0.049) 9.767 34.952 ( -0.841 -3.295 2.578) 4.267 35.588 ( -6.153 -8.023 -2.545) 10.426 35.703 ( 1.261 -12.897 3.168) 13.340 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 5.855 6.198 -4.154) 9.485 1.657 ( 4.553 4.982 -6.410) 9.308 1.761 ( 8.912 2.910 3.491) 10.004 1.937 ( 6.255 -2.823 3.003) 7.491 2.037 ( -6.933 -5.958 7.140) 11.599 2.331 ( 11.195 5.478 12.065) 17.346 2.455 ( -13.015 -7.213 -3.948) 15.395 2.604 ( 3.152 1.025 -0.704) 3.389 2.627 ( -7.873 -5.398 0.632) 9.567 2.699 ( 5.546 -2.742 -5.140) 8.043 2.838 ( -1.496 -5.656 -1.533) 6.048 2.877 ( -0.592 2.986 4.284) 5.256 3.003 ( 8.041 -2.532 8.394) 11.897 3.035 ( 0.263 0.053 4.032) 4.041 3.044 ( -0.881 2.877 -15.572) 15.860 3.098 ( -7.136 -7.768 -3.595) 11.144 3.268 ( 5.316 0.639 -3.681) 6.497 3.375 ( -1.792 7.865 -4.713) 9.343 3.460 ( -8.778 -2.432 0.344) 9.115 3.526 ( -3.318 -1.824 -4.574) 5.938 3.591 ( 6.437 13.197 2.943) 14.975 3.613 ( 5.251 -2.635 -1.365) 6.032 3.708 ( 1.418 9.097 -0.560) 9.224 3.874 ( 4.167 -2.059 4.786) 6.672 3.893 ( -3.074 -2.212 5.282) 6.499 4.030 ( -3.570 6.535 -3.542) 8.246 4.091 ( 2.158 0.344 6.779) 7.123 4.224 ( -0.734 -1.003 -5.839) 5.970 4.322 ( -2.975 3.829 0.755) 4.908 4.369 ( 1.273 0.215 0.352) 1.338 4.448 ( -4.660 -1.730 -0.120) 4.972 4.526 ( -2.595 2.951 2.146) 4.477 4.717 ( -4.956 -1.418 4.846) 7.075 4.743 ( 0.288 1.364 -0.846) 1.631 4.865 ( -1.782 2.109 -3.015) 4.088 4.960 ( 4.678 -0.829 1.412) 4.957 5.008 ( 7.999 6.762 4.057) 11.233 5.018 ( 0.039 -0.820 0.761) 1.120 5.141 ( -2.545 -2.411 2.994) 4.610 5.191 ( -2.226 -0.755 -4.048) 4.681 5.326 ( 0.625 0.683 -2.588) 2.749 5.389 ( 6.053 -0.753 0.912) 6.167 5.468 ( -0.239 -3.179 1.254) 3.426 5.505 ( 0.118 -2.955 -3.666) 4.710 5.618 ( -3.159 -0.172 -1.507) 3.504 5.645 ( 2.043 -2.358 -2.225) 3.832 5.700 ( 3.398 4.068 -1.785) 5.594 5.715 ( 3.472 -1.784 -0.274) 3.913 5.797 ( 0.995 2.168 -2.443) 3.415 5.933 ( 3.830 -0.694 -2.570) 4.664 5.985 ( 1.912 -2.806 -7.512) 8.244 6.057 ( -1.546 0.347 -2.581) 3.028 6.090 ( -2.664 -1.422 -2.688) 4.043 6.098 ( -0.366 1.186 1.674) 2.084 6.244 ( -3.911 -6.232 4.187) 8.466 6.286 ( -6.456 -5.120 3.274) 8.866 6.352 ( 2.393 2.905 1.389) 4.012 6.447 ( 5.763 -5.153 4.079) 8.741 6.589 ( 5.795 7.498 3.852) 10.229 6.733 ( -3.939 1.364 7.445) 8.532 6.756 ( 3.072 -0.112 3.091) 4.359 6.866 ( -2.822 -0.137 1.132) 3.044 7.016 ( 3.375 3.260 -0.721) 4.747 7.073 ( 0.710 2.728 0.255) 2.831 7.308 ( 0.799 2.433 -3.681) 4.484 7.482 ( 1.664 -1.405 -2.383) 3.228 7.568 ( -1.889 -0.394 4.813) 5.185 7.704 ( -3.799 -2.776 -1.459) 4.926 7.811 ( -1.300 -2.042 -1.352) 2.773 7.940 ( 1.404 5.612 -1.476) 5.970 8.028 ( 3.618 -9.598 2.019) 10.454 8.100 ( -2.119 3.445 1.804) 4.428 8.208 ( -2.679 1.601 1.323) 3.389 8.302 ( -1.730 0.626 1.536) 2.396 8.385 ( 1.948 -1.274 -1.668) 2.864 8.409 ( 2.422 3.141 -2.740) 4.821 8.428 ( -1.941 4.540 -4.043) 6.382 8.673 ( 1.858 1.048 -2.068) 2.971 8.696 ( -0.359 -3.683 1.715) 4.078 8.778 ( -0.679 1.360 -0.527) 1.609 8.805 ( 3.226 -3.393 -0.600) 4.721 8.844 ( 0.085 -0.491 -0.259) 0.562 8.938 ( 3.609 2.395 -1.734) 4.666 9.101 ( -0.718 -2.066 1.844) 2.861 9.121 ( -1.818 -2.337 -0.692) 3.040 9.209 ( -2.463 -1.197 -0.245) 2.749 9.243 ( -4.858 -2.728 1.576) 5.790 9.324 ( -4.167 0.985 -1.315) 4.479 9.442 ( -4.257 3.775 -1.002) 5.778 9.456 ( 2.486 2.303 -1.160) 3.582 9.493 ( -9.130 4.613 3.598) 10.844 9.639 ( 1.977 1.918 -4.114) 4.951 9.710 ( -0.614 -2.679 -1.291) 3.037 9.795 ( -3.722 -3.964 -0.183) 5.441 9.877 ( 2.997 3.567 2.110) 5.114 10.006 ( -0.300 4.020 -0.791) 4.108 10.082 ( -2.666 1.376 -2.076) 3.648 10.164 ( -4.542 -2.913 -1.193) 5.526 10.255 ( -5.059 -2.826 4.210) 7.163 10.364 ( -2.678 -5.463 0.282) 6.090 11.223 ( -0.385 -0.555 0.200) 0.705 11.296 ( 0.283 -1.357 0.096) 1.390 11.308 ( 0.147 0.641 0.176) 0.681 11.358 ( -2.823 -2.501 1.399) 4.022 11.368 ( 1.315 1.986 -0.940) 2.561 11.481 ( -0.298 -2.715 1.481) 3.107 11.657 ( 1.751 0.855 -0.131) 1.953 11.682 ( 3.441 -0.760 -0.521) 3.563 11.828 ( -2.263 2.425 2.308) 4.041 11.912 ( -0.403 1.298 -1.263) 1.855 12.103 ( 0.244 -3.500 0.425) 3.534 12.119 ( -0.616 -5.043 0.221) 5.086 12.687 ( 0.691 2.465 -2.422) 3.525 12.743 ( -1.367 -0.641 -1.609) 2.206 12.844 ( -0.032 2.079 1.093) 2.349 12.860 ( 1.340 0.231 2.515) 2.859 12.890 ( 0.960 -0.452 1.892) 2.169 12.982 ( 0.415 -0.657 2.110) 2.249 13.104 ( -1.180 1.441 -2.682) 3.265 13.162 ( 1.533 -2.055 0.113) 2.567 13.185 ( 1.524 -1.613 0.093) 2.221 13.208 ( 2.541 -2.905 1.431) 4.116 13.308 ( -0.356 -0.392 -1.710) 1.790 13.402 ( 3.109 -3.805 1.482) 5.132 13.702 ( -0.250 0.635 -1.742) 1.871 13.771 ( -0.764 -2.843 -1.407) 3.263 13.953 ( 0.979 2.455 1.637) 3.109 14.033 ( 0.142 -0.682 1.612) 1.756 15.264 ( -1.267 0.737 -1.260) 1.933 15.342 ( -1.429 -1.831 1.796) 2.936 15.373 ( -0.399 -3.067 0.576) 3.146 15.415 ( -1.597 -2.456 -0.155) 2.934 15.791 ( 2.249 4.028 -0.910) 4.702 15.842 ( 0.385 3.523 1.112) 3.714 15.925 ( -0.900 -1.229 -0.758) 1.702 15.979 ( 1.386 0.700 0.169) 1.562 16.012 ( -0.694 -0.495 -3.007) 3.126 16.040 ( 0.272 -0.390 -0.171) 0.505 16.326 ( 0.403 1.271 2.216) 2.587 16.420 ( -2.000 1.398 -2.648) 3.601 16.455 ( -0.223 -0.777 -0.692) 1.064 16.501 ( -1.147 -4.092 -1.471) 4.497 16.608 ( 0.027 0.278 2.933) 2.946 16.624 ( -1.411 0.026 2.897) 3.222 16.900 ( 1.440 3.191 -1.526) 3.819 16.945 ( -1.409 0.274 -0.470) 1.511 16.991 ( -0.416 0.777 -0.001) 0.881 17.000 ( 1.586 1.612 0.529) 2.323 17.203 ( 1.900 -0.460 -0.155) 1.961 17.235 ( 0.779 0.048 0.203) 0.806 17.275 ( -0.488 -0.010 0.377) 0.616 17.369 ( -0.041 -1.323 0.519) 1.422 17.380 ( -0.584 -1.483 -0.333) 1.629 17.407 ( -0.839 -2.308 3.130) 3.979 17.554 ( 0.727 1.780 -0.158) 1.929 17.621 ( 1.727 -1.435 -0.901) 2.419 17.980 ( 0.658 -0.534 0.312) 0.903 18.005 ( -0.326 -0.897 0.043) 0.956 18.081 ( 0.135 0.306 -1.105) 1.155 18.137 ( 0.714 -2.232 -0.632) 2.427 18.362 ( -1.397 1.739 -2.902) 3.660 18.367 ( -0.301 1.896 -0.444) 1.970 18.568 ( 0.927 2.306 0.259) 2.499 18.604 ( 0.457 0.982 -0.975) 1.457 19.115 ( -0.005 4.174 0.645) 4.223 19.192 ( 2.363 2.187 -1.710) 3.645 19.349 ( -2.026 -2.119 -0.829) 3.047 19.433 ( -2.541 -5.224 2.613) 6.370 28.357 ( -1.265 2.000 -0.314) 2.387 28.402 ( -1.031 -0.233 -1.537) 1.865 28.476 ( -0.912 5.577 2.331) 6.113 28.601 ( 1.975 1.427 -3.091) 3.935 28.879 ( 0.290 -0.596 -1.022) 1.218 28.965 ( 0.550 -3.460 -0.219) 3.510 29.021 ( 0.785 -0.341 0.326) 0.916 29.131 ( 0.052 -5.541 2.088) 5.922 29.439 ( -0.719 5.107 0.649) 5.198 29.526 ( 0.318 2.476 -1.191) 2.766 29.603 ( 0.553 0.104 -1.243) 1.365 29.640 ( -2.443 -2.303 3.357) 4.748 29.794 ( -0.974 -0.238 0.508) 1.124 29.820 ( -1.474 -1.914 0.695) 2.513 29.881 ( 0.046 1.592 0.171) 1.602 29.926 ( 0.953 -0.066 0.115) 0.963 30.188 ( -0.130 1.604 -0.822) 1.807 30.232 ( 0.165 1.895 0.784) 2.057 30.279 ( 0.167 3.505 0.101) 3.510 30.315 ( 2.156 2.404 -1.158) 3.431 30.436 ( 2.821 2.248 -0.347) 3.624 30.579 ( 0.463 -0.255 -1.661) 1.743 30.617 ( 1.732 3.518 0.004) 3.921 30.804 ( 5.644 -5.264 1.473) 7.857 30.824 ( 0.104 1.585 2.675) 3.111 30.937 ( -2.137 -0.881 2.328) 3.280 31.069 ( -3.597 2.276 -2.597) 4.987 31.161 ( -3.803 4.984 3.101) 6.994 31.223 ( 1.819 -3.364 -3.608) 5.257 31.266 ( -3.388 -0.338 0.708) 3.477 31.442 ( 3.457 6.901 -0.634) 7.744 31.505 ( 3.861 2.861 -1.167) 4.945 31.638 ( -4.894 -0.429 0.124) 4.914 31.678 ( 3.908 -2.565 -1.464) 4.898 31.746 ( 0.231 3.958 0.707) 4.027 31.836 ( 0.492 2.474 -0.701) 2.618 31.999 ( -2.272 4.703 1.172) 5.353 32.048 ( -0.885 0.474 0.581) 1.159 32.705 ( 0.638 1.119 0.470) 1.371 32.752 ( 0.187 -0.414 1.163) 1.248 33.765 ( 12.757 8.254 1.124) 15.236 34.025 ( 9.034 5.584 2.422) 10.893 34.417 ( 1.599 -11.066 5.082) 12.281 34.574 ( 1.700 -8.254 -0.110) 8.428 34.623 ( -9.319 -4.565 -0.397) 10.385 34.846 ( -9.781 -10.174 -5.584) 15.178 35.446 ( -2.524 1.308 -4.438) 5.270 35.710 ( -2.752 -11.296 0.155) 11.627 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 4.243 3.752 3.000) 6.409 1.714 ( 8.415 -5.414 -1.641) 10.140 1.974 ( 1.619 -6.598 -2.209) 7.144 2.052 ( 11.876 -1.621 7.157) 13.960 2.148 ( 3.612 -5.752 7.326) 9.990 2.261 ( -6.150 0.479 4.505) 7.639 2.405 ( -14.694 -1.075 2.046) 14.874 2.517 ( -4.863 4.124 2.746) 6.943 2.541 ( -3.379 7.369 -6.571) 10.436 2.670 ( -3.114 1.918 -4.824) 6.053 2.810 ( 2.082 -0.126 -6.374) 6.707 2.875 ( -4.396 -8.532 -5.049) 10.844 2.922 ( 0.066 -3.684 1.132) 3.855 2.998 ( -0.183 -0.785 -6.116) 6.169 3.049 ( 5.506 -9.375 5.182) 12.044 3.116 ( 3.448 8.205 -1.331) 8.999 3.259 ( 0.661 -6.257 1.519) 6.472 3.341 ( -2.883 -3.226 0.956) 4.431 3.418 ( 7.543 0.917 -6.544) 10.028 3.494 ( -2.050 -3.731 -1.550) 4.531 3.596 ( 4.355 0.373 -4.837) 6.519 3.726 ( 5.054 1.650 3.530) 6.382 3.791 ( 3.315 5.044 -2.028) 6.367 3.854 ( -5.233 -5.402 -3.132) 8.148 3.924 ( -1.966 4.493 1.501) 5.128 3.994 ( -0.492 4.337 2.360) 4.962 4.179 ( -2.379 5.528 0.166) 6.021 4.192 ( 4.604 1.187 -4.244) 6.373 4.230 ( -4.734 -1.440 -0.012) 4.948 4.381 ( -5.364 -2.105 1.572) 5.973 4.395 ( 1.464 1.425 5.014) 5.415 4.526 ( -4.302 4.172 0.550) 6.017 4.669 ( 2.172 7.375 0.679) 7.718 4.776 ( -4.739 6.149 3.483) 8.509 4.820 ( 1.214 3.139 6.314) 7.155 5.019 ( 1.717 0.804 -1.036) 2.160 5.035 ( -4.833 -0.023 1.317) 5.010 5.069 ( -4.378 -1.228 3.795) 5.923 5.121 ( 1.370 -4.072 -1.268) 4.480 5.162 ( 6.937 4.344 -4.695) 9.436 5.338 ( 2.063 5.425 -4.069) 7.088 5.382 ( 2.517 -3.963 -6.758) 8.229 5.484 ( -2.670 -3.954 -3.105) 5.693 5.500 ( 5.730 -3.144 -2.559) 7.019 5.604 ( -0.061 0.152 0.644) 0.664 5.656 ( -1.092 -6.662 -9.268) 11.466 5.675 ( 2.132 -4.093 -2.642) 5.318 5.746 ( 0.689 0.009 -1.227) 1.408 5.816 ( 2.996 2.618 4.476) 5.989 5.945 ( 0.329 0.153 -0.974) 1.040 5.961 ( -1.225 1.344 1.958) 2.672 6.003 ( 2.447 -2.647 -3.011) 4.697 6.049 ( 0.906 1.212 0.869) 1.746 6.126 ( 1.346 -1.316 -1.090) 2.175 6.211 ( -5.218 -7.041 4.041) 9.650 6.263 ( -1.917 -0.042 2.988) 3.550 6.416 ( 2.715 2.664 1.320) 4.027 6.496 ( 0.484 -3.080 -3.403) 4.616 6.666 ( -0.533 4.478 3.699) 5.833 6.787 ( -4.789 -0.121 10.912) 11.918 6.836 ( -1.000 3.480 7.166) 8.029 6.865 ( 0.031 4.724 -0.180) 4.728 7.093 ( 3.083 4.038 0.045) 5.080 7.119 ( 3.697 5.142 3.238) 7.112 7.266 ( -0.921 2.093 -2.455) 3.356 7.443 ( -2.534 0.464 -1.424) 2.943 7.612 ( 1.912 0.127 2.599) 3.229 7.626 ( -3.245 -2.425 0.249) 4.059 7.804 ( -1.554 9.126 0.361) 9.264 7.940 ( 3.733 -0.907 0.785) 3.921 8.048 ( 0.337 -3.547 2.399) 4.295 8.125 ( -2.094 -4.844 -6.772) 8.585 8.152 ( -0.732 4.752 2.067) 5.234 8.303 ( -3.278 7.812 2.016) 8.708 8.386 ( 3.625 7.756 -1.579) 8.706 8.432 ( 1.352 -2.714 4.293) 5.256 8.498 ( 6.765 -2.297 2.111) 7.450 8.641 ( -1.951 -1.271 -4.042) 4.665 8.695 ( 1.160 1.187 -2.649) 3.126 8.711 ( -1.185 1.190 -1.256) 2.096 8.834 ( 1.463 -4.905 -3.520) 6.212 8.879 ( -1.411 -2.992 5.567) 6.476 8.976 ( 2.066 -0.968 -2.246) 3.202 9.077 ( -2.964 0.430 -0.494) 3.036 9.105 ( -0.192 -3.022 0.058) 3.028 9.172 ( -4.446 -1.535 2.068) 5.138 9.222 ( 2.345 -1.957 -0.173) 3.059 9.272 ( -0.816 -3.960 -0.021) 4.043 9.297 ( -5.384 -2.245 -2.954) 6.539 9.413 ( -2.533 7.611 -2.276) 8.338 9.484 ( 2.868 -0.886 -1.038) 3.177 9.629 ( 0.884 1.964 -3.171) 3.833 9.722 ( 1.433 -3.160 1.302) 3.706 9.796 ( 0.384 -3.226 5.268) 6.189 9.927 ( 1.447 6.675 -1.695) 7.037 9.952 ( -1.654 0.791 -1.470) 2.350 10.008 ( -2.467 2.527 -1.120) 3.705 10.094 ( -1.841 -1.545 -1.682) 2.933 10.228 ( -4.014 -3.793 3.773) 6.688 10.336 ( -1.052 -7.661 -0.972) 7.794 11.217 ( -0.565 -0.475 0.290) 0.793 11.302 ( 0.131 0.519 0.937) 1.079 11.324 ( -1.239 -3.298 1.861) 3.984 11.329 ( -0.284 -0.625 0.353) 0.772 11.377 ( 1.545 1.055 -2.315) 2.976 11.464 ( -2.061 -2.657 -0.627) 3.420 11.675 ( 0.898 1.383 0.021) 1.650 11.729 ( 1.781 -0.045 -0.208) 1.794 11.823 ( -1.524 1.812 2.283) 3.289 11.898 ( 0.309 1.375 -0.887) 1.666 12.120 ( -0.234 -4.665 1.982) 5.074 12.128 ( 0.371 -4.162 1.931) 4.603 12.691 ( 2.252 1.828 -0.735) 2.992 12.729 ( 0.564 -0.905 0.689) 1.270 12.844 ( -0.602 2.422 -0.952) 2.671 12.877 ( -1.805 1.827 2.474) 3.566 12.916 ( -1.446 0.202 -0.274) 1.485 12.992 ( -0.759 -0.133 -0.306) 0.830 13.082 ( 1.689 1.234 -0.281) 2.110 13.173 ( 0.961 -2.208 -1.166) 2.676 13.202 ( -0.053 -2.806 0.624) 2.875 13.242 ( 0.434 -3.512 -0.861) 3.642 13.313 ( 1.166 1.421 1.777) 2.556 13.442 ( 0.376 -4.197 -0.543) 4.249 13.705 ( 1.034 0.268 1.308) 1.689 13.763 ( 0.926 -2.578 1.252) 3.012 13.960 ( -0.678 2.123 -2.139) 3.089 14.019 ( -1.748 -0.275 -1.860) 2.567 15.254 ( 0.876 -0.440 0.259) 1.014 15.338 ( -1.546 -1.342 1.766) 2.703 15.364 ( -1.496 -4.927 -1.402) 5.337 15.386 ( -0.336 -2.478 0.619) 2.576 15.819 ( 2.131 3.445 -1.397) 4.285 15.842 ( -0.874 2.683 -0.549) 2.875 15.890 ( -0.870 -1.309 -1.768) 2.366 15.948 ( -0.373 -1.451 -4.376) 4.626 16.020 ( 2.405 2.378 0.503) 3.419 16.054 ( 0.062 0.756 1.205) 1.424 16.327 ( -1.926 -0.234 -1.628) 2.533 16.392 ( 0.090 -1.145 -4.726) 4.863 16.414 ( 0.896 0.943 1.813) 2.231 16.500 ( 0.234 -3.828 0.464) 3.863 16.624 ( -1.339 1.415 2.369) 3.067 16.641 ( -0.996 0.691 3.514) 3.717 16.894 ( 0.574 1.145 -1.786) 2.198 16.911 ( -0.781 -0.507 -1.444) 1.718 16.999 ( 0.936 3.220 -0.322) 3.369 17.019 ( -0.446 3.332 0.155) 3.365 17.214 ( 0.742 1.974 -1.001) 2.334 17.273 ( 1.217 -1.036 2.010) 2.568 17.285 ( 0.072 -0.355 1.501) 1.545 17.352 ( -0.374 -2.760 -1.865) 3.352 17.378 ( -1.019 -1.387 2.166) 2.766 17.428 ( -0.743 -2.956 2.655) 4.042 17.561 ( 0.033 1.694 0.161) 1.702 17.626 ( 0.434 -1.339 -1.387) 1.976 17.992 ( -0.470 -1.169 0.627) 1.408 18.005 ( 0.819 -1.261 1.047) 1.832 18.067 ( 0.325 -0.177 -1.781) 1.819 18.131 ( 0.151 -2.656 -1.971) 3.311 18.349 ( 1.470 2.874 0.851) 3.339 18.383 ( 1.063 1.544 1.708) 2.536 18.574 ( -0.029 3.368 -0.849) 3.473 18.596 ( 0.402 2.167 -1.164) 2.492 19.123 ( -0.184 3.910 0.942) 4.026 19.211 ( 2.363 1.905 -2.117) 3.700 19.327 ( -0.938 -2.326 0.888) 2.661 19.401 ( -2.721 -4.109 0.225) 4.933 28.337 ( -0.336 1.463 -0.643) 1.633 28.366 ( -0.158 0.224 -2.154) 2.172 28.504 ( -0.309 3.776 3.934) 5.462 28.605 ( 2.100 0.472 -2.288) 3.141 28.862 ( 0.324 -0.057 -2.204) 2.228 28.954 ( -1.068 -3.795 -1.449) 4.200 29.043 ( 0.477 1.179 1.475) 1.947 29.131 ( -1.438 -3.324 0.412) 3.646 29.456 ( 1.042 2.964 1.149) 3.345 29.529 ( 1.001 0.786 -0.748) 1.476 29.614 ( 0.754 -0.156 1.112) 1.352 29.630 ( -2.948 -1.315 3.246) 4.578 29.776 ( -0.990 -0.102 -0.343) 1.053 29.812 ( -0.363 -0.290 0.890) 1.004 29.885 ( -0.107 1.834 0.243) 1.853 29.934 ( 0.356 1.107 -1.471) 1.875 30.177 ( 0.410 0.484 -1.195) 1.353 30.209 ( -1.276 -0.369 -0.661) 1.483 30.283 ( -0.255 3.992 -1.325) 4.214 30.327 ( 1.335 1.392 -1.076) 2.209 30.495 ( 2.537 6.640 0.739) 7.146 30.582 ( 2.298 0.807 -1.631) 2.931 30.645 ( 2.209 1.802 -0.834) 2.970 30.784 ( -5.638 -2.475 1.334) 6.301 30.903 ( -1.942 -0.243 -1.035) 2.214 30.933 ( 1.191 -1.704 -0.514) 2.142 31.013 ( 0.848 5.545 2.171) 6.015 31.150 ( 1.245 2.196 -0.033) 2.525 31.216 ( -3.979 -0.810 3.159) 5.144 31.242 ( 3.589 0.648 -1.587) 3.977 31.428 ( -2.167 0.939 0.809) 2.496 31.553 ( -4.836 -2.037 0.341) 5.259 31.599 ( 7.174 7.117 -1.214) 10.178 31.729 ( 1.247 0.501 -0.013) 1.344 31.812 ( -0.982 6.859 0.545) 6.950 31.823 ( 3.825 4.366 2.690) 6.398 31.968 ( -3.444 5.200 2.710) 6.801 32.063 ( -0.225 -0.562 3.708) 3.757 32.728 ( 0.525 0.095 1.878) 1.952 32.768 ( -0.563 -1.575 1.745) 2.417 34.017 ( 12.494 2.240 1.019) 12.735 34.148 ( 3.744 1.592 -0.870) 4.160 34.294 ( -12.984 -2.556 -1.822) 13.358 34.518 ( -7.276 -11.884 -10.529) 17.465 34.639 ( 5.737 -9.513 4.370) 11.937 34.669 ( -1.166 -11.453 1.930) 11.673 35.416 ( 1.886 2.722 -0.803) 3.407 35.641 ( -2.562 -8.568 -3.392) 9.564 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -5.315 -1.497 5.460) 7.766 1.800 ( -4.725 0.118 6.170) 7.772 1.920 ( -7.158 7.004 0.802) 10.047 2.095 ( -16.397 5.561 -1.214) 17.357 2.232 ( 4.990 2.491 -5.671) 7.954 2.245 ( -1.202 -10.748 1.340) 10.898 2.331 ( 7.289 2.643 6.114) 9.874 2.429 ( 1.446 3.205 5.411) 6.454 2.603 ( 8.666 4.276 -3.938) 10.435 2.623 ( 1.727 -0.597 -12.637) 12.768 2.754 ( -0.264 -4.189 -0.672) 4.250 2.782 ( -1.696 -8.558 4.912) 10.012 2.909 ( 3.439 -2.340 -6.010) 7.309 2.929 ( 0.370 -3.391 -3.582) 4.946 3.100 ( -5.447 -1.592 7.434) 9.352 3.178 ( -0.048 1.619 -0.974) 1.890 3.254 ( -1.584 -3.160 -0.211) 3.541 3.393 ( 7.619 0.562 -3.209) 8.286 3.486 ( 3.724 -0.785 -6.546) 7.571 3.504 ( 7.119 -5.837 -2.037) 9.429 3.605 ( -3.736 -6.496 -1.065) 7.569 3.666 ( -2.902 4.618 -3.006) 6.228 3.775 ( -3.803 -1.395 3.547) 5.384 3.850 ( 5.397 -2.725 1.464) 6.221 3.952 ( 5.334 0.149 0.383) 5.349 4.019 ( -6.153 3.735 1.941) 7.455 4.064 ( -2.132 5.210 -1.968) 5.963 4.159 ( -2.042 -3.066 -4.869) 6.106 4.246 ( 1.446 4.539 2.885) 5.569 4.320 ( -0.218 2.679 2.825) 3.900 4.421 ( 2.270 -3.636 -2.417) 4.921 4.521 ( 4.483 3.461 -0.440) 5.681 4.719 ( -9.603 4.286 7.829) 13.111 4.774 ( 1.196 7.113 5.733) 9.213 4.919 ( -2.900 4.123 0.164) 5.043 4.943 ( -2.880 -1.037 0.826) 3.170 4.978 ( -7.120 3.822 -0.113) 8.081 5.070 ( 1.172 0.356 4.205) 4.379 5.146 ( 1.056 -8.185 2.742) 8.697 5.204 ( 3.279 3.797 -4.155) 6.514 5.281 ( -0.492 3.111 -9.346) 9.863 5.333 ( -0.209 -4.471 -3.111) 5.451 5.428 ( 1.913 -3.097 -4.623) 5.884 5.495 ( 0.790 0.476 -6.561) 6.625 5.569 ( -2.826 -0.295 -0.189) 2.847 5.622 ( 6.785 -1.635 -1.220) 7.085 5.630 ( -2.105 -3.111 -3.601) 5.203 5.768 ( 3.948 -2.264 -2.814) 5.351 5.903 ( 0.961 -0.392 1.898) 2.163 5.949 ( -1.718 2.309 1.532) 3.261 5.971 ( 1.017 -0.185 -1.819) 2.092 6.022 ( -0.057 -0.457 -0.141) 0.481 6.083 ( -0.275 -0.698 1.301) 1.502 6.102 ( -0.407 -2.150 -1.980) 2.951 6.227 ( 0.523 1.995 6.394) 6.719 6.292 ( 2.418 -0.857 2.299) 3.444 6.399 ( -4.088 0.896 -1.723) 4.526 6.480 ( -0.110 1.654 -0.958) 1.915 6.683 ( -3.335 3.873 4.808) 7.017 6.788 ( -4.610 0.431 3.408) 5.749 6.845 ( -2.565 7.135 1.748) 7.781 6.897 ( 0.490 1.827 6.712) 6.974 7.106 ( -2.918 2.235 2.231) 4.299 7.192 ( 1.388 1.849 2.716) 3.567 7.273 ( 1.082 0.494 1.003) 1.555 7.414 ( 0.957 -2.022 -1.514) 2.701 7.579 ( -2.185 -1.854 1.808) 3.388 7.667 ( 1.939 -2.370 -0.124) 3.064 7.843 ( 3.323 5.450 2.735) 6.945 7.979 ( -3.102 -3.343 -6.112) 7.626 8.054 ( 4.348 -1.333 0.547) 4.580 8.070 ( -2.601 -1.328 1.114) 3.125 8.169 ( -0.524 6.642 3.463) 7.509 8.259 ( -0.002 9.261 -0.119) 9.262 8.404 ( -0.624 3.274 -3.398) 4.759 8.485 ( 1.694 1.420 1.684) 2.778 8.557 ( -2.788 -0.242 -0.470) 2.838 8.639 ( 0.075 -1.705 1.370) 2.189 8.723 ( 3.788 -1.042 2.972) 4.926 8.744 ( 4.662 7.662 -0.156) 8.970 8.798 ( 2.504 -8.224 -5.950) 10.455 8.876 ( -2.042 -6.616 -1.075) 7.007 8.948 ( -1.734 -3.720 0.170) 4.108 9.014 ( -0.993 0.902 -4.038) 4.255 9.077 ( -2.073 -1.361 2.337) 3.408 9.100 ( -5.167 1.801 1.317) 5.628 9.244 ( -0.140 0.637 -1.044) 1.231 9.300 ( 4.785 0.387 -0.492) 4.826 9.319 ( 6.504 -0.479 -0.042) 6.521 9.372 ( 0.337 1.358 0.337) 1.440 9.524 ( 1.537 -0.050 0.164) 1.547 9.566 ( -2.134 0.203 -4.913) 5.360 9.801 ( 3.665 -3.330 3.638) 6.145 9.853 ( -0.679 -3.017 -0.238) 3.102 9.939 ( 0.679 1.032 1.198) 1.721 9.957 ( 3.055 1.561 -2.093) 4.018 10.003 ( 5.927 3.318 -1.154) 6.890 10.047 ( 0.357 -4.533 -2.206) 5.054 10.214 ( -2.374 -2.223 3.894) 5.073 10.309 ( -0.006 -6.345 -1.339) 6.485 11.213 ( -0.991 -0.316 1.358) 1.711 11.307 ( -0.751 -0.412 -0.423) 0.955 11.328 ( 0.807 -0.285 1.564) 1.783 11.349 ( 0.495 -2.720 1.014) 2.945 11.363 ( -0.382 0.473 -1.290) 1.426 11.426 ( 0.028 -2.189 -1.728) 2.789 11.687 ( -0.392 1.842 0.991) 2.128 11.728 ( -0.710 0.349 -1.130) 1.379 11.819 ( -2.205 1.896 2.132) 3.606 11.906 ( 1.506 1.441 -0.513) 2.147 12.145 ( 0.089 -4.661 2.252) 5.177 12.155 ( 0.023 -4.115 1.651) 4.434 12.745 ( 3.295 1.511 0.907) 3.737 12.747 ( -0.966 1.298 -1.003) 1.904 12.812 ( -1.642 1.896 0.159) 2.513 12.844 ( 0.073 1.213 -0.232) 1.237 12.904 ( -0.964 -0.432 1.881) 2.157 12.953 ( -1.775 -0.755 -1.057) 2.200 13.130 ( 2.100 0.299 0.948) 2.323 13.163 ( -0.199 -0.316 -2.484) 2.512 13.195 ( -1.256 -2.425 0.790) 2.843 13.224 ( -1.404 -3.325 -0.529) 3.647 13.363 ( 1.258 -0.531 2.586) 2.924 13.404 ( -2.459 -2.501 -2.003) 4.039 13.762 ( 1.398 0.716 3.634) 3.959 13.826 ( 1.834 -2.633 2.998) 4.391 13.886 ( -2.711 2.395 -3.955) 5.359 13.950 ( -0.674 -0.483 -3.874) 3.962 15.294 ( 1.764 -1.586 1.099) 2.615 15.317 ( -0.165 -1.279 -1.146) 1.726 15.344 ( -0.593 -2.578 1.501) 3.042 15.403 ( 1.685 -3.150 -0.088) 3.573 15.808 ( -1.550 1.763 -1.281) 2.674 15.823 ( -0.419 1.906 -0.576) 2.034 15.860 ( 0.102 -0.598 -1.909) 2.003 15.911 ( 1.257 -1.156 -3.332) 3.745 16.050 ( -1.343 2.549 0.009) 2.881 16.069 ( 1.568 1.766 0.699) 2.463 16.283 ( -0.688 -1.403 -0.659) 1.696 16.344 ( 1.148 -3.419 -3.655) 5.135 16.469 ( 1.753 1.305 1.691) 2.763 16.505 ( 0.457 -1.320 -0.808) 1.614 16.623 ( -2.462 2.628 2.716) 4.511 16.665 ( -0.306 0.893 2.360) 2.542 16.889 ( 1.141 -0.101 -1.403) 1.811 16.893 ( 0.767 -0.840 -1.699) 2.045 16.987 ( -1.837 3.829 -0.464) 4.272 17.016 ( 0.787 3.178 0.096) 3.275 17.227 ( 0.980 0.856 0.503) 1.395 17.261 ( -0.756 0.745 -2.228) 2.468 17.312 ( -1.407 -0.120 2.441) 2.820 17.328 ( -1.130 -1.779 -0.430) 2.151 17.399 ( -0.676 -1.655 3.757) 4.161 17.441 ( -1.223 -2.355 2.356) 3.549 17.566 ( 0.581 0.619 0.083) 0.853 17.608 ( 0.060 -1.321 -2.400) 2.740 17.996 ( -0.866 -0.946 1.606) 2.055 18.042 ( 1.286 -2.661 1.418) 3.278 18.060 ( 1.059 -0.873 -1.330) 1.911 18.104 ( 0.644 -2.666 -2.924) 4.009 18.381 ( -1.174 3.254 1.292) 3.692 18.420 ( 1.207 2.000 0.893) 2.501 18.560 ( -0.925 2.976 -0.878) 3.238 18.584 ( 0.583 2.020 -1.409) 2.531 19.127 ( -0.976 3.884 1.134) 4.162 19.219 ( 2.030 2.491 -2.727) 4.215 19.321 ( -2.371 -3.741 1.443) 4.658 19.382 ( 1.796 -3.431 0.135) 3.875 28.328 ( 0.083 1.571 -0.645) 1.700 28.350 ( 0.580 0.478 -1.268) 1.474 28.539 ( -0.601 1.614 2.258) 2.840 28.617 ( 2.003 -1.350 -1.748) 2.981 28.863 ( 1.933 0.939 0.287) 2.168 28.901 ( -1.070 -0.732 -3.288) 3.534 29.066 ( -0.368 1.211 1.985) 2.354 29.110 ( -0.677 -1.234 -0.460) 1.481 29.481 ( -0.581 2.427 1.649) 2.991 29.524 ( -0.473 -0.229 -1.299) 1.401 29.628 ( -1.070 -0.035 2.656) 2.863 29.651 ( 0.891 -1.387 2.138) 2.700 29.761 ( -0.655 1.949 0.356) 2.087 29.828 ( 1.393 0.842 0.294) 1.654 29.874 ( -1.039 1.404 -0.378) 1.787 29.912 ( -0.232 0.271 -1.565) 1.605 30.174 ( 0.714 0.862 -0.758) 1.351 30.190 ( 0.240 1.170 -1.279) 1.750 30.265 ( -0.336 2.437 -0.067) 2.461 30.328 ( 1.227 0.038 -2.196) 2.516 30.505 ( -3.283 4.458 1.338) 5.696 30.567 ( -2.376 3.229 -2.268) 4.606 30.683 ( -2.768 -0.112 -1.546) 3.173 30.715 ( 4.153 -2.737 2.008) 5.364 30.838 ( -3.428 0.802 -0.066) 3.521 30.902 ( -2.820 -2.383 0.043) 3.693 31.098 ( 2.915 5.590 3.560) 7.240 31.124 ( -4.407 3.180 -1.057) 5.537 31.229 ( 3.868 0.384 0.031) 3.887 31.333 ( 6.183 0.326 -0.044) 6.192 31.436 ( -0.931 -1.021 1.709) 2.197 31.505 ( 1.518 -0.718 -1.154) 2.037 31.681 ( 2.479 5.819 0.124) 6.326 31.684 ( -1.660 4.772 -1.762) 5.351 31.817 ( -2.173 3.855 1.144) 4.570 31.882 ( 0.890 2.272 -0.162) 2.445 32.003 ( 0.022 5.042 7.988) 9.446 32.103 ( -0.009 1.125 2.212) 2.482 32.757 ( -0.817 -0.501 2.208) 2.407 32.775 ( -0.187 -0.841 1.471) 1.705 33.995 ( -12.413 0.605 1.409) 12.508 34.114 ( -3.847 1.705 0.204) 4.213 34.225 ( 1.216 -6.520 -4.992) 8.301 34.390 ( 8.061 -7.555 -5.308) 12.257 34.658 ( -3.128 -8.084 2.582) 9.045 34.782 ( 5.384 -10.564 -0.247) 11.859 35.471 ( 2.955 -1.801 1.632) 3.826 35.565 ( 1.000 -6.321 -5.927) 8.723 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -21.469 13.365 2.659) 25.429 1.569 ( -20.494 16.735 -9.829) 28.225 1.889 ( 2.204 -6.505 8.989) 11.313 2.036 ( -1.688 3.073 3.971) 5.297 2.215 ( -0.368 -1.772 -7.512) 7.727 2.308 ( -5.485 -5.570 5.682) 9.664 2.399 ( 4.295 9.470 5.148) 11.604 2.459 ( 5.506 15.193 0.276) 16.162 2.616 ( 5.134 -1.526 0.340) 5.367 2.683 ( -2.648 -8.785 -0.267) 9.179 2.791 ( 1.629 3.663 0.374) 4.026 2.831 ( 7.469 -5.825 -3.577) 10.125 2.896 ( 6.612 -4.411 4.179) 8.980 3.001 ( 4.669 -1.788 -3.133) 5.900 3.075 ( -0.974 0.406 -2.501) 2.714 3.185 ( -1.909 3.082 2.060) 4.170 3.248 ( -2.770 -4.236 -3.404) 6.099 3.363 ( 1.127 2.684 -0.722) 2.999 3.465 ( 5.982 -2.516 -8.388) 10.605 3.497 ( 2.993 -10.907 -6.479) 13.034 3.590 ( -0.505 -0.832 -0.211) 0.996 3.658 ( 4.090 -8.251 1.476) 9.327 3.753 ( -8.869 3.186 1.090) 9.487 3.836 ( -6.623 0.657 6.161) 9.069 3.967 ( 1.085 -0.399 -5.481) 5.602 4.009 ( 1.746 3.327 7.522) 8.408 4.108 ( 5.577 -2.730 -4.493) 7.664 4.219 ( 8.232 -0.128 6.816) 10.689 4.313 ( 2.244 2.567 -0.452) 3.439 4.401 ( 0.015 0.319 1.501) 1.535 4.433 ( 2.296 7.377 2.976) 8.280 4.600 ( -7.504 2.096 1.010) 7.856 4.675 ( -3.562 1.077 3.278) 4.959 4.711 ( 2.240 -0.858 -4.608) 5.195 4.760 ( -12.037 8.267 -1.753) 14.707 4.849 ( 1.075 0.575 2.754) 3.012 5.021 ( -2.976 -1.183 2.700) 4.188 5.080 ( -4.935 -0.541 1.929) 5.326 5.106 ( -0.047 2.897 -2.761) 4.002 5.238 ( -0.680 -4.918 0.950) 5.054 5.249 ( 3.848 3.831 -0.715) 5.477 5.316 ( 1.288 -1.797 0.869) 2.375 5.384 ( 2.174 -1.740 -3.648) 4.589 5.469 ( 1.343 3.332 -5.217) 6.335 5.533 ( -3.831 -1.696 1.786) 4.555 5.613 ( 3.699 -5.429 -2.609) 7.069 5.694 ( 2.998 -1.557 -1.183) 3.579 5.791 ( 1.229 -1.619 -2.690) 3.371 5.870 ( -4.027 -0.662 -1.285) 4.279 5.909 ( -4.468 -6.289 -2.575) 8.133 5.939 ( -1.563 2.598 -0.226) 3.040 5.976 ( -1.193 1.227 -3.454) 3.855 6.073 ( 0.245 -0.855 -0.279) 0.932 6.118 ( 0.262 0.383 1.377) 1.453 6.264 ( -4.534 6.142 4.163) 8.696 6.325 ( -1.013 4.665 -0.630) 4.815 6.384 ( 6.154 -1.131 -0.004) 6.257 6.480 ( 0.307 -6.217 1.656) 6.441 6.643 ( -6.569 7.106 5.909) 11.338 6.774 ( -1.521 2.768 0.890) 3.282 6.844 ( -1.318 4.981 3.200) 6.065 6.986 ( 0.905 1.355 2.976) 3.393 7.081 ( -1.096 -0.025 1.712) 2.032 7.226 ( -0.916 -1.028 -4.038) 4.266 7.277 ( -1.327 -3.194 5.304) 6.332 7.415 ( 2.127 -7.411 -2.240) 8.029 7.607 ( 1.857 -1.021 3.351) 3.965 7.728 ( 3.153 -5.945 -1.212) 6.838 7.862 ( -0.877 4.543 -3.813) 5.996 7.900 ( -0.596 2.239 2.729) 3.579 7.962 ( -3.526 -2.660 -1.775) 4.760 8.108 ( -1.096 -5.172 -0.579) 5.319 8.232 ( 4.620 4.058 3.360) 7.008 8.323 ( -0.461 -0.159 -5.659) 5.680 8.346 ( 3.350 9.411 4.020) 10.768 8.486 ( -3.399 -6.060 -1.034) 7.024 8.531 ( 0.966 1.333 -1.081) 1.970 8.585 ( -3.215 1.745 -3.258) 4.898 8.678 ( -3.358 2.806 -1.595) 4.658 8.760 ( -1.225 -5.974 -0.603) 6.128 8.842 ( -0.300 -1.093 3.164) 3.361 8.896 ( 0.677 -0.456 -4.198) 4.276 8.902 ( 0.547 3.092 -3.910) 5.014 8.996 ( -0.132 0.117 -0.533) 0.562 9.067 ( 2.116 5.153 4.057) 6.892 9.146 ( 4.002 -2.204 0.411) 4.587 9.235 ( -0.752 -1.931 2.183) 3.010 9.346 ( 2.751 2.571 -0.894) 3.870 9.421 ( 4.977 8.649 1.046) 10.034 9.463 ( 1.970 -4.504 -3.752) 6.184 9.476 ( 1.990 1.933 2.622) 3.817 9.561 ( 4.898 -1.447 -1.047) 5.213 9.757 ( -3.352 0.455 -4.746) 5.828 9.907 ( 1.511 -3.600 2.585) 4.683 9.926 ( -2.465 -7.203 -1.442) 7.748 9.975 ( 0.152 4.161 0.410) 4.184 10.027 ( 2.614 -0.423 0.947) 2.812 10.187 ( 10.088 -0.036 -3.020) 10.530 10.251 ( 1.295 -0.883 3.940) 4.240 10.348 ( 7.236 -4.022 -0.051) 8.279 11.215 ( -1.602 0.017 2.593) 3.048 11.278 ( -0.752 1.130 -2.044) 2.454 11.339 ( 0.133 -0.337 -0.677) 0.767 11.361 ( 0.169 -0.855 -0.653) 1.089 11.369 ( 1.130 -1.408 0.995) 2.061 11.442 ( 1.578 -6.466 2.498) 7.109 11.673 ( -2.499 1.625 0.239) 2.990 11.688 ( -2.271 0.905 -0.984) 2.636 11.810 ( -1.011 2.094 1.774) 2.925 11.930 ( 1.971 2.358 -0.599) 3.131 12.160 ( -0.661 -5.322 0.084) 5.364 12.167 ( 0.425 -2.634 0.562) 2.726 12.689 ( -1.179 1.730 -2.397) 3.183 12.751 ( -1.351 -0.911 -1.563) 2.258 12.821 ( 1.520 2.487 1.271) 3.179 12.906 ( 0.019 -1.076 0.275) 1.111 12.926 ( -0.106 0.770 3.961) 4.037 12.940 ( 2.351 0.341 2.831) 3.695 13.100 ( -2.484 1.078 -4.038) 4.862 13.155 ( 0.618 -1.322 -0.578) 1.570 13.191 ( -0.768 -2.860 1.719) 3.424 13.204 ( -0.228 -2.947 1.123) 3.162 13.339 ( -2.402 0.137 -1.411) 2.789 13.402 ( 0.088 -2.351 1.714) 2.911 13.738 ( -3.682 1.339 -2.913) 4.882 13.803 ( -2.344 -2.267 -2.922) 4.378 13.886 ( 2.395 2.751 3.162) 4.827 13.986 ( 3.474 -1.569 2.472) 4.543 15.291 ( 1.074 -0.362 -1.697) 2.041 15.348 ( 0.454 -3.152 0.770) 3.276 15.381 ( 2.603 1.468 2.596) 3.959 15.441 ( 3.027 -1.269 -0.401) 3.306 15.763 ( -1.964 1.839 -1.087) 2.902 15.811 ( -0.729 0.564 1.037) 1.388 15.850 ( -0.083 0.491 -0.376) 0.624 15.902 ( 0.993 -0.950 -1.617) 2.122 16.014 ( -1.271 2.155 -1.126) 2.744 16.078 ( -0.533 -0.304 -0.723) 0.948 16.300 ( 1.716 -0.777 1.740) 2.564 16.354 ( 3.157 -3.336 -0.921) 4.684 16.483 ( -0.107 -0.241 -2.397) 2.411 16.511 ( 1.071 -0.820 -0.115) 1.354 16.612 ( -1.832 4.476 2.605) 5.493 16.684 ( -0.477 0.750 2.127) 2.306 16.891 ( 1.296 -0.368 -2.062) 2.463 16.900 ( 1.275 -0.711 -0.163) 1.469 16.961 ( -0.799 2.807 0.290) 2.933 17.032 ( 0.047 1.558 0.753) 1.731 17.228 ( 0.349 1.220 -2.406) 2.720 17.252 ( 0.383 0.473 1.397) 1.524 17.285 ( -2.418 -1.099 0.809) 2.777 17.309 ( -1.890 0.537 0.253) 1.981 17.420 ( -1.515 -2.348 2.534) 3.772 17.449 ( -1.154 -1.739 2.360) 3.151 17.563 ( 0.038 0.199 -1.634) 1.646 17.590 ( -0.406 -0.869 0.143) 0.970 17.997 ( -0.372 -1.099 0.338) 1.209 18.031 ( -0.690 -1.447 -2.054) 2.606 18.081 ( 1.440 -1.366 -0.656) 2.091 18.106 ( 1.350 -1.830 -1.024) 2.494 18.340 ( -2.889 2.620 -0.252) 3.908 18.412 ( -1.869 0.190 -2.633) 3.234 18.527 ( -0.988 3.892 0.105) 4.016 18.585 ( -0.131 1.334 -0.519) 1.438 19.115 ( -1.527 3.475 0.736) 3.867 19.219 ( 1.833 2.516 -3.204) 4.467 19.295 ( -1.977 -1.591 1.637) 3.020 19.451 ( 3.945 -4.869 1.640) 6.478 28.328 ( 0.533 1.598 -0.062) 1.686 28.354 ( 1.083 0.377 -0.493) 1.248 28.533 ( -1.073 1.547 -0.145) 1.888 28.619 ( 0.963 -2.102 -2.062) 3.099 28.865 ( 1.174 2.510 -3.013) 4.093 28.927 ( 2.213 -0.098 2.344) 3.225 29.065 ( -1.278 0.634 0.197) 1.440 29.109 ( -0.303 -2.905 1.839) 3.452 29.474 ( -1.846 3.488 1.406) 4.189 29.495 ( -0.193 1.307 -1.839) 2.264 29.630 ( -1.336 1.101 0.000) 1.731 29.690 ( 0.964 -2.818 2.226) 3.718 29.766 ( 0.105 3.900 1.005) 4.029 29.848 ( -0.576 0.351 0.764) 1.019 29.870 ( 1.648 0.962 0.351) 1.940 29.896 ( 0.065 -0.826 -0.954) 1.264 30.180 ( 1.015 2.706 -0.824) 3.005 30.203 ( 1.802 1.297 0.853) 2.378 30.266 ( -0.383 1.229 0.840) 1.537 30.321 ( 0.592 -1.208 -1.624) 2.109 30.390 ( -8.049 5.537 -1.045) 9.826 30.529 ( -0.305 2.270 -0.485) 2.341 30.653 ( 0.349 1.562 -1.038) 1.908 30.762 ( -3.780 -2.540 1.662) 4.848 30.828 ( -1.032 -1.684 2.388) 3.099 30.892 ( 3.851 -3.798 2.592) 5.998 31.039 ( -2.526 2.365 -2.368) 4.193 31.161 ( -0.731 1.145 0.952) 1.658 31.310 ( 6.809 2.675 -1.899) 7.558 31.351 ( -0.413 -1.905 0.874) 2.136 31.447 ( -1.416 4.527 0.083) 4.744 31.549 ( 4.219 3.280 -1.787) 5.635 31.669 ( -4.865 -0.307 1.789) 5.192 31.701 ( 5.725 3.759 -1.338) 6.978 31.792 ( -1.943 1.403 0.243) 2.409 31.851 ( -2.092 -0.249 -3.073) 3.726 32.066 ( -0.483 3.064 1.241) 3.341 32.109 ( -1.168 1.272 1.339) 2.186 32.744 ( -1.763 1.357 0.518) 2.284 32.797 ( 0.101 -0.640 1.327) 1.476 33.811 ( -10.997 7.893 1.185) 13.588 34.145 ( 0.932 1.991 10.217) 10.450 34.194 ( 1.844 -9.000 0.315) 9.193 34.477 ( 3.356 -12.464 -2.306) 13.112 34.636 ( 1.249 -1.608 -1.418) 2.481 34.799 ( 0.667 -7.877 -5.087) 9.400 35.443 ( -1.389 -1.099 -6.307) 6.551 35.622 ( 5.911 -8.817 1.835) 10.773 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -15.797 20.016 1.965) 25.574 1.300 ( -13.021 27.954 12.260) 33.185 1.961 ( 1.484 -17.395 -2.697) 17.665 1.986 ( -2.109 19.600 -2.375) 19.856 2.173 ( 3.242 7.837 -2.063) 8.729 2.202 ( -8.456 -11.552 5.208) 15.233 2.495 ( -3.095 4.322 -7.602) 9.276 2.594 ( 1.663 6.985 -0.196) 7.183 2.644 ( 2.283 6.879 7.327) 10.306 2.756 ( 5.766 -2.846 0.028) 6.430 2.842 ( 2.351 4.189 -3.361) 5.863 2.850 ( 1.016 0.772 -7.115) 7.228 2.941 ( 1.457 3.847 0.125) 4.115 3.041 ( 0.421 -7.212 -0.444) 7.238 3.085 ( 2.257 -2.267 0.675) 3.269 3.166 ( -2.798 2.270 0.667) 3.664 3.198 ( 6.235 -3.019 1.156) 7.023 3.397 ( -1.301 -2.273 1.290) 2.919 3.450 ( 1.653 -0.301 -1.638) 2.346 3.532 ( 7.794 -7.174 -2.425) 10.867 3.626 ( -1.089 2.049 0.616) 2.401 3.681 ( 5.137 -6.548 -0.289) 8.328 3.737 ( 0.020 -6.697 1.238) 6.811 3.852 ( -1.894 -5.653 7.085) 9.259 3.970 ( 2.304 8.452 -1.255) 8.850 4.065 ( -0.307 1.750 -2.030) 2.698 4.117 ( 2.821 0.825 -3.703) 4.728 4.185 ( -3.804 4.812 -9.184) 11.044 4.296 ( -12.114 1.537 1.608) 12.316 4.386 ( -0.720 2.030 0.496) 2.210 4.410 ( -7.044 -2.359 7.009) 10.213 4.560 ( -0.946 -1.756 1.354) 2.411 4.623 ( 4.110 9.387 5.097) 11.445 4.725 ( 1.583 2.375 3.619) 4.609 4.799 ( 1.308 -3.668 -0.425) 3.918 4.924 ( 4.188 -2.902 0.981) 5.189 4.948 ( -3.950 4.113 2.997) 6.442 5.026 ( 1.418 3.266 -2.618) 4.419 5.169 ( -1.525 -1.992 -2.958) 3.879 5.194 ( 2.350 0.813 1.655) 2.987 5.265 ( 2.119 4.621 1.177) 5.218 5.333 ( -1.756 -1.312 2.320) 3.191 5.445 ( 0.361 0.050 1.314) 1.364 5.488 ( 1.545 0.895 4.790) 5.112 5.519 ( -0.178 0.254 1.524) 1.555 5.579 ( -5.052 -4.114 -5.192) 8.331 5.654 ( -2.590 -6.191 -5.310) 8.557 5.722 ( 1.661 -3.911 -0.076) 4.249 5.777 ( -3.975 1.629 -1.475) 4.542 5.849 ( -3.166 -0.330 0.608) 3.240 5.892 ( 1.283 1.063 -3.840) 4.186 5.974 ( -0.040 2.281 3.371) 4.070 6.063 ( -0.630 -3.760 -1.555) 4.117 6.120 ( -1.489 1.841 3.330) 4.086 6.259 ( -0.013 2.234 2.885) 3.649 6.383 ( 2.875 -1.829 1.532) 3.736 6.451 ( 1.490 -3.880 -4.456) 6.093 6.462 ( -1.283 -2.064 0.349) 2.455 6.639 ( -0.879 2.268 4.091) 4.760 6.698 ( -6.393 3.446 -3.423) 8.029 6.857 ( -0.980 4.437 0.456) 4.566 6.972 ( -0.622 2.713 -1.186) 3.026 7.113 ( 2.389 -4.064 -0.329) 4.725 7.174 ( 1.084 -3.271 -1.037) 3.598 7.265 ( -1.843 -7.042 -6.070) 9.478 7.420 ( -1.067 -9.532 1.237) 9.672 7.630 ( -5.826 -1.794 -3.185) 6.878 7.682 ( 1.523 -4.672 1.510) 5.141 7.862 ( 0.047 1.241 -0.347) 1.289 7.930 ( 0.356 4.823 2.154) 5.294 8.002 ( 4.868 -1.392 -1.246) 5.214 8.124 ( 1.457 -4.408 6.561) 8.038 8.294 ( 4.959 -0.165 -2.124) 5.397 8.309 ( 0.275 1.598 -0.419) 1.675 8.379 ( -0.864 -3.001 -6.956) 7.625 8.468 ( 4.317 8.568 0.869) 9.633 8.487 ( 0.399 -6.098 -1.780) 6.365 8.543 ( -0.322 6.128 -0.600) 6.166 8.636 ( -2.802 -0.652 3.551) 4.570 8.746 ( -2.022 -1.859 1.231) 3.010 8.802 ( -4.804 2.937 -3.372) 6.564 8.838 ( -0.088 -0.345 -1.196) 1.248 8.870 ( -1.594 -2.157 0.563) 2.740 8.973 ( -1.842 -1.689 1.566) 2.949 9.130 ( 0.344 -1.703 -1.851) 2.539 9.190 ( 3.184 2.499 2.744) 4.890 9.290 ( 2.031 0.917 2.214) 3.141 9.379 ( -0.646 2.882 0.339) 2.973 9.435 ( 3.973 7.167 -0.131) 8.195 9.508 ( 4.227 8.334 1.332) 9.439 9.602 ( 1.137 -1.604 1.625) 2.551 9.616 ( 2.412 -2.964 -3.391) 5.109 9.699 ( 2.141 4.564 0.946) 5.129 9.892 ( 1.971 -10.172 -1.369) 10.451 9.900 ( -4.237 -2.372 2.436) 5.432 9.963 ( -2.589 -2.230 0.973) 3.553 10.106 ( 4.850 8.389 -0.853) 9.727 10.246 ( 2.133 0.696 -1.995) 3.003 10.326 ( 1.755 -0.301 1.926) 2.623 10.496 ( 9.727 -3.920 -3.201) 10.965 11.217 ( -2.135 0.700 3.082) 3.815 11.249 ( 0.152 1.796 -1.550) 2.377 11.325 ( 0.300 -0.938 -1.832) 2.080 11.359 ( 0.846 0.313 -0.828) 1.225 11.396 ( 0.149 -1.999 1.230) 2.352 11.504 ( 0.689 -10.782 2.558) 11.103 11.624 ( -2.099 0.878 -0.789) 2.408 11.637 ( -2.312 0.520 -0.517) 2.426 11.829 ( 0.045 2.072 2.209) 3.029 11.950 ( 1.508 3.081 -1.203) 3.635 12.138 ( -0.743 -5.279 -1.192) 5.463 12.178 ( 1.309 -2.518 -1.335) 3.136 12.668 ( 0.777 1.653 -0.680) 1.949 12.742 ( 1.188 -1.302 0.038) 1.763 12.825 ( -1.705 0.330 0.112) 1.741 12.891 ( -0.399 -2.145 -0.533) 2.246 12.958 ( -1.276 1.430 -0.341) 1.946 12.984 ( -0.692 1.341 1.294) 1.988 13.038 ( -0.865 2.436 0.609) 2.656 13.149 ( 0.178 -2.698 -1.105) 2.921 13.200 ( -0.430 -2.772 0.608) 2.870 13.241 ( 2.443 -3.214 -1.327) 4.249 13.294 ( -0.958 1.590 -0.979) 2.099 13.401 ( -0.879 -3.183 -0.396) 3.326 13.666 ( -1.557 1.826 -0.433) 2.438 13.756 ( -0.214 -3.040 -0.223) 3.056 13.946 ( 0.507 2.762 1.418) 3.146 14.048 ( 1.061 -1.351 0.623) 1.828 15.302 ( 1.929 0.548 -0.996) 2.238 15.357 ( -0.363 -2.408 0.867) 2.585 15.445 ( 1.694 3.210 -0.098) 3.631 15.475 ( 2.685 1.222 -2.830) 4.088 15.732 ( -0.884 3.148 0.888) 3.388 15.828 ( -0.395 1.050 2.930) 3.137 15.841 ( -1.078 0.212 0.960) 1.459 15.908 ( 0.246 -1.353 0.816) 1.599 16.001 ( 0.978 -0.415 -0.615) 1.227 16.051 ( -1.139 -1.801 -0.735) 2.254 16.363 ( 2.907 1.313 1.290) 3.440 16.415 ( 3.481 -1.756 0.503) 3.931 16.453 ( 0.437 -0.662 -1.523) 1.718 16.496 ( -2.572 -0.470 -0.534) 2.668 16.632 ( 0.806 2.994 1.218) 3.331 16.698 ( -0.156 0.198 0.727) 0.769 16.881 ( 0.666 1.002 -2.115) 2.433 16.928 ( 0.954 -1.382 1.465) 2.229 16.971 ( 0.359 0.963 1.499) 1.818 17.018 ( -1.647 -0.497 -0.638) 1.835 17.211 ( 0.280 1.198 -1.817) 2.195 17.248 ( -1.482 0.786 -1.425) 2.201 17.271 ( 0.147 0.116 0.693) 0.718 17.295 ( -0.475 -0.989 2.194) 2.453 17.407 ( -2.867 -2.418 1.606) 4.080 17.442 ( -0.949 -2.523 -0.174) 2.701 17.556 ( -0.905 0.965 0.088) 1.326 17.571 ( -1.486 0.083 -0.321) 1.522 17.986 ( 0.218 -0.552 -1.312) 1.440 18.019 ( 1.276 -0.545 0.227) 1.406 18.082 ( 0.261 0.266 -0.905) 0.979 18.098 ( -1.204 0.627 0.059) 1.359 18.322 ( 0.372 -0.041 0.444) 0.581 18.342 ( -1.652 0.499 -0.162) 1.733 18.537 ( 0.310 2.509 2.118) 3.298 18.557 ( -1.933 1.259 -0.859) 2.461 19.101 ( -1.066 3.208 0.770) 3.467 19.203 ( 0.934 1.346 -3.036) 3.450 19.300 ( -0.658 1.823 2.639) 3.274 19.519 ( 2.190 -6.086 0.149) 6.469 28.349 ( 1.247 1.818 1.082) 2.456 28.376 ( 1.181 0.565 0.834) 1.553 28.510 ( -0.810 2.188 -0.676) 2.429 28.616 ( 1.462 -1.316 -1.835) 2.690 28.861 ( 1.992 3.615 -2.631) 4.895 28.946 ( -0.789 0.348 -0.496) 0.995 29.040 ( -1.091 -2.426 -0.473) 2.702 29.119 ( -2.728 -5.967 2.689) 7.091 29.470 ( 0.131 1.706 0.738) 1.863 29.497 ( 1.777 2.750 0.018) 3.274 29.592 ( -1.123 4.443 -1.452) 4.807 29.731 ( -0.435 -3.146 3.047) 4.401 29.772 ( -0.118 3.086 -0.117) 3.091 29.856 ( 0.310 -1.207 0.970) 1.580 29.878 ( -0.812 -1.060 -0.222) 1.354 29.917 ( 2.447 -1.101 -0.252) 2.695 30.192 ( 0.975 5.947 -0.679) 6.064 30.238 ( 0.283 0.604 -1.078) 1.267 30.262 ( -1.869 3.674 0.426) 4.144 30.276 ( -2.365 2.317 0.418) 3.338 30.324 ( -0.477 -2.713 3.121) 4.163 30.532 ( 1.605 0.957 -0.911) 2.079 30.647 ( 0.102 3.109 -1.149) 3.316 30.709 ( -2.923 -1.872 0.031) 3.471 30.843 ( -2.177 2.187 4.836) 5.737 30.975 ( 1.754 -2.180 -2.324) 3.637 31.041 ( 5.345 -2.907 1.628) 6.298 31.114 ( -2.600 -0.928 0.007) 2.761 31.366 ( 1.587 -0.023 -0.554) 1.682 31.406 ( 5.495 3.163 -1.962) 6.637 31.425 ( 0.048 1.943 -1.912) 2.726 31.532 ( -1.640 1.362 -2.766) 3.492 31.613 ( -3.549 -3.068 0.820) 4.762 31.681 ( -9.835 -3.219 -1.159) 10.413 31.781 ( -1.082 0.992 -0.208) 1.482 31.812 ( 6.701 1.445 -3.039) 7.498 32.045 ( -1.414 4.301 -0.233) 4.533 32.089 ( -1.081 -0.284 -1.237) 1.667 32.722 ( -0.801 3.693 -0.346) 3.795 32.799 ( -0.442 -0.792 -0.670) 1.127 33.675 ( -3.664 15.231 -1.874) 15.778 34.107 ( -2.697 0.924 -12.960) 13.270 34.429 ( 0.194 -9.391 12.069) 15.294 34.449 ( -3.247 -12.970 5.526) 14.467 34.666 ( 4.985 0.822 -0.490) 5.076 34.792 ( 5.336 -5.730 2.700) 8.282 35.363 ( -0.773 4.858 -0.527) 4.948 35.724 ( 3.032 -12.614 1.275) 13.036 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 2.980 -21.800 7.526) 23.254 1.578 ( 2.980 21.800 7.526) 23.254 1.771 ( -4.973 -18.776 12.024) 22.844 1.771 ( -4.973 18.776 12.024) 22.844 2.287 ( -4.349 -5.588 -9.505) 11.853 2.287 ( -4.349 5.588 -9.505) 11.853 2.418 ( 8.338 -15.344 -9.561) 19.909 2.418 ( 8.338 15.344 -9.561) 19.909 2.732 ( 0.914 -6.148 -9.708) 11.527 2.732 ( 0.914 6.148 -9.708) 11.527 2.867 ( -11.056 -10.087 -3.527) 15.377 2.867 ( -11.056 10.087 -3.527) 15.377 3.058 ( 7.938 -8.088 0.624) 11.350 3.058 ( 7.938 8.088 0.624) 11.350 3.184 ( 5.998 -1.933 8.142) 10.296 3.184 ( 5.998 1.933 8.142) 10.296 3.256 ( 0.458 -6.744 3.626) 7.671 3.256 ( 0.458 6.744 3.626) 7.671 3.499 ( -0.876 -6.708 1.003) 6.839 3.499 ( -0.876 6.708 1.003) 6.839 3.639 ( -6.509 -8.303 -4.462) 11.455 3.639 ( -6.509 8.303 -4.462) 11.455 3.799 ( 2.245 -2.191 4.630) 5.593 3.799 ( 2.245 2.191 4.630) 5.593 3.948 ( -10.024 -3.054 -1.691) 10.615 3.948 ( -10.024 3.054 -1.691) 10.615 4.210 ( 3.172 -1.153 1.935) 3.890 4.210 ( 3.172 1.153 1.935) 3.890 4.340 ( 7.838 -3.615 5.126) 10.039 4.340 ( 7.838 3.615 5.126) 10.039 4.535 ( 4.457 -13.323 1.556) 14.135 4.535 ( 4.457 13.323 1.556) 14.135 4.621 ( -5.293 -1.194 -1.085) 5.534 4.621 ( -5.293 1.194 -1.085) 5.534 4.929 ( -4.506 -3.388 -1.400) 5.809 4.929 ( -4.506 3.388 -1.400) 5.809 5.011 ( -0.985 -6.933 -10.043) 12.243 5.011 ( -0.985 6.933 -10.043) 12.243 5.116 ( 0.349 -6.034 6.370) 8.781 5.116 ( 0.349 6.034 6.370) 8.781 5.345 ( -1.244 -3.577 0.342) 3.802 5.345 ( -1.244 3.577 0.342) 3.802 5.475 ( 2.925 -1.527 4.128) 5.285 5.475 ( 2.925 1.527 4.128) 5.285 5.567 ( 1.952 -5.100 5.463) 7.724 5.567 ( 1.952 5.100 5.463) 7.724 5.689 ( -1.032 -4.438 5.209) 6.920 5.689 ( -1.032 4.438 5.209) 6.920 5.833 ( 0.504 -3.624 -0.725) 3.730 5.833 ( 0.504 3.624 -0.725) 3.730 5.922 ( 5.771 -2.793 -2.866) 7.023 5.922 ( 5.771 2.793 -2.866) 7.023 6.128 ( -0.531 -3.436 1.685) 3.864 6.128 ( -0.531 3.436 1.685) 3.864 6.257 ( -1.707 -2.001 0.033) 2.631 6.257 ( -1.707 2.001 0.033) 2.631 6.421 ( -2.221 -5.434 -3.967) 7.085 6.421 ( -2.221 5.434 -3.967) 7.085 6.586 ( -0.543 -2.399 -6.389) 6.846 6.586 ( -0.543 2.399 -6.389) 6.846 6.900 ( -4.970 -6.011 -1.402) 7.924 6.900 ( -4.970 6.011 -1.402) 7.924 7.058 ( 0.676 -3.681 -4.380) 5.761 7.058 ( 0.676 3.681 -4.380) 5.761 7.274 ( 2.091 -7.154 4.405) 8.658 7.274 ( 2.091 7.154 4.405) 8.658 7.624 ( 1.665 -3.000 -0.351) 3.449 7.624 ( 1.665 3.000 -0.351) 3.449 7.861 ( -1.871 -4.546 -4.325) 6.548 7.861 ( -1.871 4.546 -4.325) 6.548 8.017 ( -2.807 -5.928 -1.414) 6.709 8.017 ( -2.807 5.928 -1.414) 6.709 8.374 ( 1.013 -2.257 -1.768) 3.041 8.374 ( 1.013 2.257 -1.768) 3.041 8.412 ( 3.924 -7.146 1.326) 8.259 8.412 ( 3.924 7.146 1.326) 8.259 8.613 ( 0.740 -1.538 2.823) 3.299 8.613 ( 0.740 1.538 2.823) 3.299 8.680 ( -3.138 -1.010 1.034) 3.455 8.680 ( -3.138 1.010 1.034) 3.455 8.784 ( -1.445 -3.261 0.821) 3.660 8.784 ( -1.445 3.261 0.821) 3.660 8.937 ( 5.048 -4.656 5.661) 8.900 8.937 ( 5.048 4.656 5.661) 8.900 9.190 ( 0.022 -6.234 -3.064) 6.946 9.190 ( 0.022 6.234 -3.064) 6.946 9.382 ( 1.921 -2.066 0.302) 2.837 9.382 ( 1.921 2.066 0.302) 2.837 9.565 ( 0.717 -1.977 -2.294) 3.112 9.565 ( 0.717 1.977 -2.294) 3.112 9.707 ( -0.651 -5.545 1.628) 5.816 9.707 ( -0.651 5.545 1.628) 5.816 9.744 ( 0.992 -4.442 2.210) 5.060 9.744 ( 0.992 4.442 2.210) 5.060 9.856 ( -3.431 -5.116 3.704) 7.188 9.856 ( -3.431 5.116 3.704) 7.188 10.264 ( -3.130 -4.070 -1.448) 5.334 10.264 ( -3.130 4.070 -1.448) 5.334 10.397 ( 2.881 -11.151 -3.486) 12.034 10.397 ( 2.881 11.151 -3.486) 12.034 11.276 ( -1.406 -4.628 0.851) 4.912 11.276 ( -1.406 4.628 0.851) 4.912 11.306 ( 1.057 -1.394 -0.223) 1.764 11.306 ( 1.057 1.394 -0.223) 1.764 11.396 ( -0.102 -1.499 0.814) 1.709 11.396 ( -0.102 1.499 0.814) 1.709 11.609 ( 0.430 -0.610 -0.870) 1.146 11.609 ( 0.430 0.610 -0.870) 1.146 11.930 ( -0.379 -4.925 1.081) 5.057 11.930 ( -0.379 4.925 1.081) 5.057 12.101 ( 0.041 -2.700 -2.538) 3.706 12.101 ( 0.041 2.700 -2.538) 3.706 12.728 ( 0.771 -1.933 0.790) 2.226 12.728 ( 0.771 1.933 0.790) 2.226 12.832 ( 0.602 -3.019 -0.349) 3.099 12.832 ( 0.602 3.019 -0.349) 3.099 12.956 ( -1.971 -1.427 -1.981) 3.137 12.956 ( -1.971 1.427 -1.981) 3.137 13.093 ( 0.232 -1.938 0.707) 2.076 13.093 ( 0.232 1.938 0.707) 2.076 13.172 ( -0.451 -1.311 -2.270) 2.660 13.172 ( -0.451 1.311 -2.270) 2.660 13.317 ( -0.062 -2.469 -1.311) 2.797 13.317 ( -0.062 2.469 -1.311) 2.797 13.729 ( 1.724 -2.530 1.853) 3.578 13.729 ( 1.724 2.530 1.853) 3.578 13.991 ( -1.558 -2.811 -1.188) 3.426 13.991 ( -1.558 2.811 -1.188) 3.426 15.334 ( 0.126 -0.781 0.656) 1.028 15.334 ( 0.126 0.781 0.656) 1.028 15.461 ( -0.828 -1.100 -4.276) 4.492 15.461 ( -0.828 1.100 -4.276) 4.492 15.826 ( 0.583 -2.974 2.609) 3.999 15.826 ( 0.583 2.974 2.609) 3.999 15.883 ( -0.882 -2.488 1.397) 2.986 15.883 ( -0.882 2.488 1.397) 2.986 16.011 ( 1.077 -1.140 0.474) 1.639 16.011 ( 1.077 1.140 0.474) 1.639 16.425 ( -1.670 -0.204 -1.157) 2.042 16.425 ( -1.670 0.204 -1.157) 2.042 16.482 ( 2.845 -1.422 2.649) 4.139 16.482 ( 2.845 1.422 2.649) 4.139 16.644 ( -3.001 -0.642 -1.927) 3.624 16.644 ( -3.001 0.642 -1.927) 3.624 16.901 ( 0.879 -0.883 -1.064) 1.639 16.901 ( 0.879 0.883 -1.064) 1.639 17.004 ( 0.419 -0.575 1.060) 1.276 17.004 ( 0.419 0.575 1.060) 1.276 17.206 ( -0.718 -1.670 -1.121) 2.136 17.206 ( -0.718 1.670 -1.121) 2.136 17.313 ( 0.592 -1.200 2.548) 2.878 17.313 ( 0.592 1.200 2.548) 2.878 17.376 ( -1.309 -1.856 -0.162) 2.277 17.376 ( -1.309 1.856 -0.162) 2.277 17.559 ( 0.506 -0.893 -0.710) 1.248 17.559 ( 0.506 0.893 -0.710) 1.248 18.004 ( 0.344 -2.339 -1.018) 2.574 18.004 ( 0.344 2.339 -1.018) 2.574 18.095 ( 0.181 -1.083 -0.077) 1.100 18.095 ( 0.181 1.083 -0.077) 1.100 18.369 ( 1.565 -1.889 3.789) 4.514 18.369 ( 1.565 1.889 3.789) 4.514 18.555 ( -0.138 -1.438 0.028) 1.445 18.555 ( -0.138 1.438 0.028) 1.445 19.169 ( 0.397 -3.268 0.567) 3.340 19.169 ( 0.397 3.268 0.567) 3.340 19.396 ( -0.829 -5.727 -0.775) 5.838 19.396 ( -0.829 5.727 -0.775) 5.838 28.410 ( 0.317 -0.606 1.847) 1.970 28.410 ( 0.317 0.606 1.847) 1.970 28.572 ( 0.128 -4.250 0.562) 4.289 28.572 ( 0.128 4.250 0.562) 4.289 28.935 ( 0.383 -1.131 -1.858) 2.208 28.935 ( 0.383 1.131 -1.858) 2.208 28.981 ( 0.677 -3.106 -2.343) 3.949 28.981 ( 0.677 3.106 -2.343) 3.949 29.523 ( -0.677 -1.941 3.371) 3.948 29.523 ( -0.677 1.941 3.371) 3.948 29.679 ( -0.639 -3.062 -0.386) 3.152 29.679 ( -0.639 3.062 -0.386) 3.152 29.809 ( -0.744 -1.891 0.304) 2.055 29.809 ( -0.744 1.891 0.304) 2.055 29.895 ( 0.517 -2.316 0.044) 2.374 29.895 ( 0.517 2.316 0.044) 2.374 30.231 ( -0.501 -1.111 -0.391) 1.280 30.231 ( -0.501 1.111 -0.391) 1.280 30.290 ( -0.530 -2.481 1.943) 3.196 30.290 ( -0.530 2.481 1.943) 3.196 30.418 ( 2.049 -10.770 -3.597) 11.538 30.418 ( 2.049 10.770 -3.597) 11.538 30.670 ( -0.624 -0.729 -0.225) 0.986 30.670 ( -0.624 0.729 -0.225) 0.986 30.921 ( -4.045 -4.744 2.791) 6.831 30.921 ( -4.045 4.744 2.791) 6.831 31.108 ( 2.643 -0.561 1.997) 3.359 31.108 ( 2.643 0.561 1.997) 3.359 31.342 ( -0.571 -1.898 -5.116) 5.486 31.342 ( -0.571 1.898 -5.116) 5.486 31.496 ( 1.427 -1.491 -2.621) 3.335 31.496 ( 1.427 1.491 -2.621) 3.335 31.530 ( -0.614 -0.655 1.967) 2.162 31.530 ( -0.614 0.655 1.967) 2.162 31.825 ( 1.835 -3.353 -3.487) 5.173 31.825 ( 1.835 3.353 -3.487) 5.173 32.093 ( -0.573 -0.270 1.671) 1.787 32.093 ( -0.573 0.270 1.671) 1.787 32.759 ( -0.288 -1.315 -1.205) 1.806 32.759 ( -0.288 1.315 -1.205) 1.806 33.965 ( 1.264 -9.513 -3.350) 10.165 33.965 ( 1.264 9.513 -3.350) 10.165 34.229 ( -4.734 -4.351 -1.348) 6.569 34.229 ( -4.734 4.351 -1.348) 6.569 34.862 ( 2.778 -1.969 6.821) 7.623 34.862 ( 2.778 1.969 6.821) 7.623 35.525 ( 0.444 -7.472 1.363) 7.608 35.525 ( 0.444 7.472 1.363) 7.608 ======================= Grid point 72 (39/60) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.945 -6.433 0.967) 6.790 1.620 ( -1.945 6.433 0.967) 6.790 1.880 ( -5.889 -5.938 8.380) 11.839 1.880 ( -5.889 5.938 8.380) 11.839 2.183 ( 9.041 -13.963 -2.252) 16.787 2.183 ( 9.041 13.963 -2.252) 16.787 2.453 ( -5.546 -18.110 -10.209) 21.516 2.453 ( -5.546 18.110 -10.209) 21.516 2.601 ( 7.361 -9.258 -0.030) 11.828 2.601 ( 7.361 9.258 -0.030) 11.828 2.775 ( 0.056 -1.591 1.386) 2.111 2.775 ( 0.056 1.591 1.386) 2.111 3.082 ( -5.310 -6.080 -2.605) 8.482 3.082 ( -5.310 6.080 -2.605) 8.482 3.167 ( -4.185 -7.301 -1.547) 8.556 3.167 ( -4.185 7.301 -1.547) 8.556 3.394 ( -0.845 -7.223 -1.685) 7.465 3.394 ( -0.845 7.223 -1.685) 7.465 3.532 ( 4.483 -5.599 1.255) 7.282 3.532 ( 4.483 5.599 1.255) 7.282 3.625 ( 10.184 -4.603 3.218) 11.630 3.625 ( 10.184 4.603 3.218) 11.630 3.743 ( -6.574 -2.143 1.078) 6.998 3.743 ( -6.574 2.143 1.078) 6.998 3.886 ( -4.597 -5.256 7.295) 10.099 3.886 ( -4.597 5.256 7.295) 10.099 4.263 ( -1.571 -3.202 0.303) 3.579 4.263 ( -1.571 3.202 0.303) 3.579 4.394 ( 1.402 -5.297 -1.431) 5.663 4.394 ( 1.402 5.297 -1.431) 5.663 4.501 ( -4.720 -3.042 -3.987) 6.887 4.501 ( -4.720 3.042 -3.987) 6.887 4.774 ( 6.003 -8.008 2.636) 10.349 4.774 ( 6.003 8.008 2.636) 10.349 4.796 ( -1.633 -4.980 -0.366) 5.253 4.796 ( -1.633 4.980 -0.366) 5.253 4.948 ( 6.156 -2.990 -0.749) 6.884 4.948 ( 6.156 2.990 -0.749) 6.884 5.159 ( -5.138 -6.703 5.045) 9.838 5.159 ( -5.138 6.703 5.045) 9.838 5.322 ( 1.628 -5.334 -3.686) 6.685 5.322 ( 1.628 5.334 -3.686) 6.685 5.550 ( -2.547 -7.459 2.991) 8.431 5.550 ( -2.547 7.459 2.991) 8.431 5.629 ( -1.327 -4.465 6.431) 7.941 5.629 ( -1.327 4.465 6.431) 7.941 5.695 ( 0.665 -5.673 -2.460) 6.219 5.695 ( 0.665 5.673 -2.460) 6.219 5.896 ( 6.118 -3.389 -1.047) 7.071 5.896 ( 6.118 3.389 -1.047) 7.071 5.997 ( 5.610 -3.978 -6.628) 9.551 5.997 ( 5.610 3.978 -6.628) 9.551 6.128 ( -2.558 -1.682 2.901) 4.217 6.128 ( -2.558 1.682 2.901) 4.217 6.191 ( -2.906 -7.273 -0.856) 7.878 6.191 ( -2.906 7.273 -0.856) 7.878 6.347 ( -1.658 -2.653 0.218) 3.137 6.347 ( -1.658 2.653 0.218) 3.137 6.593 ( 7.785 -6.051 -2.897) 10.277 6.593 ( 7.785 6.051 -2.897) 10.277 6.823 ( -5.113 -5.117 2.532) 7.664 6.823 ( -5.113 5.117 2.532) 7.664 7.041 ( 2.313 -3.117 -2.036) 4.383 7.041 ( 2.313 3.117 -2.036) 4.383 7.356 ( 3.484 -2.033 0.090) 4.035 7.356 ( 3.484 2.033 0.090) 4.035 7.634 ( 0.135 -5.868 -0.182) 5.872 7.634 ( 0.135 5.868 -0.182) 5.872 7.810 ( -0.150 -2.613 -1.614) 3.075 7.810 ( -0.150 2.613 -1.614) 3.075 8.011 ( 3.556 -8.092 1.244) 8.926 8.011 ( 3.556 8.092 1.244) 8.926 8.308 ( -5.024 -3.663 -1.702) 6.446 8.308 ( -5.024 3.663 -1.702) 6.446 8.451 ( 1.604 -4.970 -3.423) 6.244 8.451 ( 1.604 4.970 -3.423) 6.244 8.627 ( -4.372 -5.327 2.316) 7.270 8.627 ( -4.372 5.327 2.316) 7.270 8.686 ( 1.935 -2.289 2.672) 4.016 8.686 ( 1.935 2.289 2.672) 4.016 8.808 ( 2.220 -6.402 2.067) 7.084 8.808 ( 2.220 6.402 2.067) 7.084 9.051 ( 2.341 -0.934 -0.858) 2.663 9.051 ( 2.341 0.934 -0.858) 2.663 9.121 ( -3.104 -7.626 -2.674) 8.657 9.121 ( -3.104 7.626 -2.674) 8.657 9.393 ( -0.256 -3.408 -0.711) 3.491 9.393 ( -0.256 3.408 -0.711) 3.491 9.542 ( -1.339 -3.715 -2.241) 4.540 9.542 ( -1.339 3.715 -2.241) 4.540 9.657 ( -6.929 -2.776 2.642) 7.918 9.657 ( -6.929 2.776 2.642) 7.918 9.741 ( -1.510 -4.656 0.407) 4.912 9.741 ( -1.510 4.656 0.407) 4.912 9.918 ( 3.288 -9.443 3.799) 10.696 9.918 ( 3.288 9.443 3.799) 10.696 10.175 ( -5.059 -1.736 0.156) 5.351 10.175 ( -5.059 1.736 0.156) 5.351 10.353 ( -3.388 -7.748 -2.602) 8.848 10.353 ( -3.388 7.748 -2.602) 8.848 11.254 ( -1.499 -3.516 0.580) 3.866 11.254 ( -1.499 3.516 0.580) 3.866 11.330 ( 0.916 -1.474 -0.149) 1.742 11.330 ( 0.916 1.474 -0.149) 1.742 11.403 ( 0.295 -1.813 0.816) 2.010 11.403 ( 0.295 1.813 0.816) 2.010 11.629 ( 2.855 -0.601 -1.013) 3.089 11.629 ( 2.855 0.601 -1.013) 3.089 11.921 ( -2.293 -4.103 1.155) 4.840 11.921 ( -2.293 4.103 1.155) 4.840 12.075 ( 0.233 -0.860 -1.833) 2.038 12.075 ( 0.233 0.860 -1.833) 2.038 12.750 ( 1.087 -1.629 -0.224) 1.971 12.750 ( 1.087 1.629 -0.224) 1.971 12.841 ( 0.248 -0.713 -1.227) 1.441 12.841 ( 0.248 0.713 -1.227) 1.441 12.902 ( -1.282 -1.988 0.740) 2.479 12.902 ( -1.282 1.988 0.740) 2.479 13.115 ( 1.019 -0.437 1.160) 1.605 13.115 ( 1.019 0.437 1.160) 1.605 13.160 ( 1.248 -0.045 -1.107) 1.669 13.160 ( 1.248 0.045 -1.107) 1.669 13.310 ( 0.900 -0.290 -0.746) 1.204 13.310 ( 0.900 0.290 -0.746) 1.204 13.758 ( 0.162 -0.706 -1.151) 1.360 13.758 ( 0.162 0.706 -1.151) 1.360 13.967 ( -0.218 -1.831 1.446) 2.343 13.967 ( -0.218 1.831 1.446) 2.343 15.329 ( -1.564 -0.211 0.064) 1.579 15.329 ( -1.564 0.211 0.064) 1.579 15.398 ( -1.902 -2.237 -1.175) 3.163 15.398 ( -1.902 2.237 -1.175) 3.163 15.846 ( -0.103 -1.749 0.533) 1.832 15.846 ( -0.103 1.749 0.533) 1.832 15.909 ( 1.418 -1.582 2.232) 3.082 15.909 ( 1.418 1.582 2.232) 3.082 16.035 ( 1.189 -1.296 -0.965) 2.006 16.035 ( 1.189 1.296 -0.965) 2.006 16.384 ( -2.262 -3.082 1.072) 3.970 16.384 ( -2.262 3.082 1.072) 3.970 16.535 ( -0.946 -1.336 -2.057) 2.629 16.535 ( -0.946 1.336 -2.057) 2.629 16.577 ( -0.608 -2.114 1.881) 2.895 16.577 ( -0.608 2.114 1.881) 2.895 16.924 ( 2.660 -1.279 -0.416) 2.981 16.924 ( 2.660 1.279 -0.416) 2.981 17.006 ( -0.630 -0.882 -0.402) 1.156 17.006 ( -0.630 0.882 -0.402) 1.156 17.191 ( -0.059 -1.891 -0.205) 1.903 17.191 ( -0.059 1.891 -0.205) 1.903 17.338 ( 0.073 -2.441 -0.065) 2.443 17.338 ( 0.073 2.441 -0.065) 2.443 17.365 ( -1.088 -0.832 2.291) 2.669 17.365 ( -1.088 0.832 2.291) 2.669 17.572 ( 1.835 -1.432 -1.021) 2.542 17.572 ( 1.835 1.432 -1.021) 2.542 17.990 ( -0.028 -1.447 -0.838) 1.672 17.990 ( -0.028 1.447 -0.838) 1.672 18.097 ( 0.110 -1.506 -0.119) 1.515 18.097 ( 0.110 1.506 -0.119) 1.515 18.417 ( -0.245 -1.729 0.419) 1.796 18.417 ( -0.245 1.729 0.419) 1.796 18.567 ( 1.590 -1.245 0.265) 2.036 18.567 ( 1.590 1.245 0.265) 2.036 19.184 ( 0.699 -2.793 -0.113) 2.882 19.184 ( 0.699 2.793 -0.113) 2.882 19.367 ( -1.715 -2.276 0.371) 2.874 19.367 ( -1.715 2.276 0.371) 2.874 28.416 ( -1.428 -0.984 0.846) 1.929 28.416 ( -1.428 0.984 0.846) 1.929 28.578 ( 0.039 -4.419 0.141) 4.421 28.578 ( 0.039 4.419 0.141) 4.421 28.905 ( -0.722 -2.594 -1.527) 3.096 28.905 ( -0.722 2.594 -1.527) 3.096 29.007 ( 3.839 -3.008 -1.194) 5.021 29.007 ( 3.839 3.008 -1.194) 5.021 29.551 ( -1.708 -3.979 3.904) 5.830 29.551 ( -1.708 3.979 3.904) 5.830 29.624 ( -2.394 -2.717 -2.574) 4.443 29.624 ( -2.394 2.717 -2.574) 4.443 29.808 ( -0.442 -0.814 0.504) 1.055 29.808 ( -0.442 0.814 0.504) 1.055 29.897 ( 0.031 -1.452 0.113) 1.456 29.897 ( 0.031 1.452 0.113) 1.456 30.231 ( -0.273 -0.427 0.330) 0.605 30.231 ( -0.273 0.427 0.330) 0.605 30.310 ( 1.158 -3.485 1.192) 3.862 30.310 ( 1.158 3.485 1.192) 3.862 30.448 ( 5.366 -9.650 -2.285) 11.276 30.448 ( 5.366 9.650 -2.285) 11.276 30.665 ( 0.417 -2.215 0.471) 2.302 30.665 ( 0.417 2.215 0.471) 2.302 30.879 ( -3.963 -5.207 3.380) 7.365 30.879 ( -3.963 5.207 3.380) 7.365 31.153 ( -0.420 -2.472 1.320) 2.834 31.153 ( -0.420 2.472 1.320) 2.834 31.293 ( 0.234 -2.021 -3.008) 3.632 31.293 ( 0.234 2.021 -3.008) 3.632 31.506 ( 2.152 -2.054 -1.902) 3.531 31.506 ( 2.152 2.054 -1.902) 3.531 31.572 ( 4.512 -1.965 -0.812) 4.988 31.572 ( 4.512 1.965 -0.812) 4.988 31.816 ( 1.465 -3.023 -2.671) 4.292 31.816 ( 1.465 3.023 -2.671) 4.292 32.083 ( -2.462 -1.305 0.902) 2.929 32.083 ( -2.462 1.305 0.902) 2.929 32.742 ( -0.363 -1.154 -0.609) 1.354 32.742 ( -0.363 1.154 -0.609) 1.354 33.928 ( -0.292 -10.706 -1.623) 10.832 33.928 ( -0.292 10.706 -1.623) 10.832 34.241 ( 4.122 -8.293 3.050) 9.750 34.241 ( 4.122 8.293 3.050) 9.750 34.874 ( -6.845 -4.226 0.797) 8.084 34.874 ( -6.845 4.226 0.797) 8.084 35.541 ( -0.216 -3.447 0.603) 3.506 35.541 ( -0.216 3.447 0.603) 3.506 ======================= Grid point 74 (40/60) ======================= q-point: ( 0.29 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.447 -6.751 -3.358) 9.920 1.627 ( 6.447 6.751 -3.358) 9.920 1.862 ( -5.507 -9.441 7.687) 13.362 1.862 ( -5.507 9.441 7.687) 13.362 2.168 ( -5.454 -18.371 -0.584) 19.172 2.168 ( -5.454 18.371 -0.584) 19.172 2.478 ( 8.555 -8.876 5.094) 13.338 2.478 ( 8.555 8.876 5.094) 13.338 2.700 ( 6.749 -5.836 -7.526) 11.673 2.700 ( 6.749 5.836 -7.526) 11.673 2.817 ( -7.549 -10.928 2.157) 13.456 2.817 ( -7.549 10.928 2.157) 13.456 2.952 ( -2.415 -3.468 2.801) 5.070 2.952 ( -2.415 3.468 2.801) 5.070 3.058 ( -1.324 -4.557 -2.739) 5.479 3.058 ( -1.324 4.557 -2.739) 5.479 3.374 ( -2.018 -3.908 -1.764) 4.739 3.374 ( -2.018 3.908 -1.764) 4.739 3.462 ( -5.583 -6.799 -9.925) 13.263 3.462 ( -5.583 6.799 -9.925) 13.263 3.683 ( 4.250 -5.976 -1.202) 7.431 3.683 ( 4.250 5.976 -1.202) 7.431 3.834 ( 1.101 -5.375 6.363) 8.402 3.834 ( 1.101 5.375 6.363) 8.402 3.995 ( 4.482 -13.164 8.343) 16.217 3.995 ( 4.482 13.164 8.343) 16.217 4.141 ( -2.749 -5.709 -6.930) 9.390 4.141 ( -2.749 5.709 -6.930) 9.390 4.401 ( -4.333 -5.675 -0.249) 7.145 4.401 ( -4.333 5.675 -0.249) 7.145 4.459 ( 1.813 -7.416 3.478) 8.389 4.459 ( 1.813 7.416 3.478) 8.389 4.715 ( -1.672 -1.958 0.151) 2.580 4.715 ( -1.672 1.958 0.151) 2.580 4.903 ( 5.204 -3.773 2.742) 6.988 4.903 ( 5.204 3.773 2.742) 6.988 5.063 ( -7.170 -5.483 3.574) 9.708 5.063 ( -7.170 5.483 3.574) 9.708 5.145 ( 7.536 -5.299 -3.671) 9.917 5.145 ( 7.536 5.299 -3.671) 9.917 5.357 ( 3.352 -4.212 4.373) 6.936 5.357 ( 3.352 4.212 4.373) 6.936 5.525 ( 0.680 -6.990 -2.006) 7.304 5.525 ( 0.680 6.990 -2.006) 7.304 5.592 ( -4.072 -7.606 -5.942) 10.475 5.592 ( -4.072 7.606 -5.942) 10.475 5.700 ( 2.738 -3.907 -2.689) 5.476 5.700 ( 2.738 3.907 -2.689) 5.476 5.861 ( -0.303 -5.206 -6.572) 8.389 5.861 ( -0.303 5.206 -6.572) 8.389 5.987 ( 1.024 -4.452 -2.745) 5.330 5.987 ( 1.024 4.452 -2.745) 5.330 6.103 ( -1.224 -1.477 0.911) 2.124 6.103 ( -1.224 1.477 0.911) 2.124 6.212 ( -3.382 -5.343 5.943) 8.678 6.212 ( -3.382 5.343 5.943) 8.678 6.394 ( 4.434 -1.127 1.989) 4.988 6.394 ( 4.434 1.127 1.989) 4.988 6.704 ( 1.963 -4.718 3.617) 6.261 6.704 ( 1.963 4.718 3.617) 6.261 6.809 ( -0.107 -5.066 5.029) 7.139 6.809 ( -0.107 5.066 5.029) 7.139 7.091 ( 4.675 -2.254 -0.330) 5.200 7.091 ( 4.675 2.254 -0.330) 5.200 7.388 ( 2.391 -6.654 -3.060) 7.704 7.388 ( 2.391 6.654 -3.060) 7.704 7.615 ( -2.037 -4.904 0.413) 5.326 7.615 ( -2.037 4.904 0.413) 5.326 7.851 ( 4.873 -6.588 1.459) 8.323 7.851 ( 4.873 6.588 1.459) 8.323 8.071 ( -1.641 -6.490 -0.651) 6.726 8.071 ( -1.641 6.490 -0.651) 6.726 8.239 ( 1.247 -4.460 0.411) 4.649 8.239 ( 1.247 4.460 0.411) 4.649 8.416 ( 0.077 -3.401 -4.184) 5.392 8.416 ( 0.077 3.401 -4.184) 5.392 8.592 ( -2.175 -9.107 2.389) 9.663 8.592 ( -2.175 9.107 2.389) 9.663 8.718 ( 0.230 -3.444 -0.814) 3.546 8.718 ( 0.230 3.444 -0.814) 3.546 8.869 ( 2.026 -2.158 0.941) 3.106 8.869 ( 2.026 2.158 0.941) 3.106 8.990 ( -3.679 -6.468 -0.138) 7.443 8.990 ( -3.679 6.468 -0.138) 7.443 9.103 ( 1.089 -4.467 -1.322) 4.784 9.103 ( 1.089 4.467 -1.322) 4.784 9.340 ( -5.702 -5.150 -0.521) 7.701 9.340 ( -5.702 5.150 -0.521) 7.701 9.421 ( -4.701 -3.541 -4.635) 7.491 9.421 ( -4.701 3.541 -4.635) 7.491 9.616 ( -1.750 -3.366 0.099) 3.795 9.616 ( -1.750 3.366 0.099) 3.795 9.722 ( -1.456 -2.303 1.614) 3.167 9.722 ( -1.456 2.303 1.614) 3.167 9.998 ( 1.877 -8.831 1.046) 9.089 9.998 ( 1.877 8.831 1.046) 9.089 10.115 ( -2.937 -1.854 0.736) 3.551 10.115 ( -2.937 1.854 0.736) 3.551 10.251 ( -6.007 -5.017 0.202) 7.830 10.251 ( -6.007 5.017 0.202) 7.830 11.245 ( -0.554 -2.793 0.697) 2.931 11.245 ( -0.554 2.793 0.697) 2.931 11.326 ( -0.946 -1.094 0.265) 1.470 11.326 ( -0.946 1.094 0.265) 1.470 11.420 ( 0.975 -3.242 -0.723) 3.461 11.420 ( 0.975 3.242 -0.723) 3.461 11.671 ( 3.014 -0.841 -0.621) 3.190 11.671 ( 3.014 0.841 -0.621) 3.190 11.891 ( -2.413 -3.279 1.283) 4.269 11.891 ( -2.413 3.279 1.283) 4.269 12.069 ( 0.213 -0.201 0.097) 0.309 12.069 ( 0.213 0.201 0.097) 0.309 12.728 ( -0.804 -1.370 -2.268) 2.769 12.728 ( -0.804 1.370 -2.268) 2.769 12.856 ( 1.856 -0.623 0.529) 2.028 12.856 ( 1.856 0.623 0.529) 2.028 12.934 ( 0.774 -3.623 3.511) 5.104 12.934 ( 0.774 3.623 3.511) 5.104 13.131 ( -0.225 -1.483 -0.918) 1.759 13.131 ( -0.225 1.483 -0.918) 1.759 13.174 ( 1.642 -1.373 -0.270) 2.157 13.174 ( 1.642 1.373 -0.270) 2.157 13.333 ( 1.682 -2.981 0.484) 3.457 13.333 ( 1.682 2.981 0.484) 3.457 13.726 ( -0.786 -1.863 -1.644) 2.606 13.726 ( -0.786 1.863 -1.644) 2.606 14.001 ( 0.785 -2.346 1.584) 2.938 14.001 ( 0.785 2.346 1.584) 2.938 15.295 ( -1.572 -2.381 -0.412) 2.883 15.295 ( -1.572 2.381 -0.412) 2.883 15.369 ( -2.224 -1.936 1.234) 3.197 15.369 ( -2.224 1.936 1.234) 3.197 15.855 ( 0.906 -2.246 -0.173) 2.428 15.855 ( 0.906 2.246 -0.173) 2.428 15.944 ( -0.161 -2.999 0.152) 3.007 15.944 ( -0.161 2.999 0.152) 3.007 16.027 ( 1.082 -1.005 -1.884) 2.394 16.027 ( 1.082 1.005 -1.884) 2.394 16.387 ( -0.289 -4.364 2.740) 5.161 16.387 ( -0.289 4.364 2.740) 5.161 16.454 ( -1.719 -1.256 -4.939) 5.378 16.454 ( -1.719 1.256 -4.939) 5.378 16.616 ( -0.897 -0.574 4.171) 4.305 16.616 ( -0.897 0.574 4.171) 4.305 16.941 ( -0.868 -0.865 -1.147) 1.678 16.941 ( -0.868 0.865 -1.147) 1.678 17.010 ( 2.609 -0.918 -0.076) 2.767 17.010 ( 2.609 0.918 -0.076) 2.767 17.205 ( 1.537 -1.308 0.808) 2.174 17.205 ( 1.537 1.308 0.808) 2.174 17.323 ( -0.626 -3.249 -1.402) 3.594 17.323 ( -0.626 3.249 -1.402) 3.594 17.376 ( -1.204 -0.867 2.367) 2.793 17.376 ( -1.204 0.867 2.367) 2.793 17.589 ( 1.211 -1.890 -0.580) 2.319 17.589 ( 1.211 1.890 -0.580) 2.319 17.986 ( -0.362 -0.954 0.257) 1.053 17.986 ( -0.362 0.954 0.257) 1.053 18.099 ( 0.379 -1.559 -0.473) 1.673 18.099 ( 0.379 1.559 -0.473) 1.673 18.385 ( -0.471 -0.242 -2.263) 2.324 18.385 ( -0.471 0.242 -2.263) 2.324 18.601 ( 1.477 -1.124 0.175) 1.864 18.601 ( 1.477 1.124 0.175) 1.864 19.189 ( 0.805 -2.823 -0.740) 3.027 19.189 ( 0.805 2.823 -0.740) 3.027 19.350 ( -1.814 -2.806 1.347) 3.603 19.350 ( -1.814 2.806 1.347) 3.603 28.388 ( -1.355 -1.193 -1.055) 2.091 28.388 ( -1.355 1.193 -1.055) 2.091 28.579 ( -0.006 -4.075 0.057) 4.076 28.579 ( -0.006 4.075 0.057) 4.076 28.887 ( -0.039 -2.291 -0.635) 2.378 28.887 ( -0.039 2.291 -0.635) 2.378 29.054 ( 2.107 -2.960 0.078) 3.635 29.054 ( 2.107 2.960 0.078) 3.635 29.527 ( -1.803 -3.486 -0.689) 3.984 29.527 ( -1.803 3.486 -0.689) 3.984 29.603 ( -0.835 -0.203 2.230) 2.389 29.603 ( -0.835 0.203 2.230) 2.389 29.798 ( -0.910 -0.616 0.278) 1.134 29.798 ( -0.910 0.616 0.278) 1.134 29.912 ( 1.088 -1.439 0.417) 1.852 29.912 ( 1.088 1.439 0.417) 1.852 30.216 ( -1.355 -1.529 -0.220) 2.055 30.216 ( -1.355 1.529 -0.220) 2.055 30.337 ( 1.093 -1.182 -0.709) 1.759 30.337 ( 1.093 1.182 -0.709) 1.759 30.527 ( 5.325 -5.868 -0.782) 7.963 30.527 ( 5.325 5.868 -0.782) 7.963 30.692 ( 0.923 -4.618 1.226) 4.867 30.692 ( 0.923 4.618 1.226) 4.867 30.887 ( 0.304 -3.860 2.978) 4.885 30.887 ( 0.304 3.860 2.978) 4.885 31.131 ( 0.494 -4.237 -3.451) 5.487 31.131 ( 0.494 4.237 -3.451) 5.487 31.242 ( -5.402 -2.493 1.672) 6.180 31.242 ( -5.402 2.493 1.672) 6.180 31.562 ( 4.229 -2.442 -0.661) 4.928 31.562 ( 4.229 2.442 -0.661) 4.928 31.604 ( 0.688 -0.568 -0.399) 0.977 31.604 ( 0.688 0.568 -0.399) 0.977 31.828 ( 3.695 -2.991 -1.395) 4.954 31.828 ( 3.695 2.991 -1.395) 4.954 32.048 ( -2.689 -0.835 1.261) 3.085 32.048 ( -2.689 0.835 1.261) 3.085 32.734 ( -0.669 -1.524 0.721) 1.813 32.734 ( -0.669 1.524 0.721) 1.813 33.974 ( 6.000 -11.374 1.212) 12.917 33.974 ( 6.000 11.374 1.212) 12.917 34.367 ( 4.068 -8.085 4.023) 9.904 34.367 ( 4.068 8.085 4.023) 9.904 34.677 ( -11.879 -6.589 -4.928) 14.451 34.677 ( -11.879 6.589 -4.928) 14.451 35.528 ( -0.929 -7.245 -0.953) 7.366 35.528 ( -0.929 7.245 -0.953) 7.366 ======================= Grid point 76 (41/60) ======================= q-point: ( 0.43 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -1.099 -3.299 4.417) 5.622 1.691 ( -1.099 3.299 4.417) 5.622 1.949 ( 7.626 -7.597 5.488) 12.083 1.949 ( 7.626 7.597 5.488) 12.083 2.174 ( 1.314 -7.320 3.315) 8.142 2.174 ( 1.314 7.320 3.315) 8.142 2.496 ( -12.116 -7.586 3.711) 14.769 2.496 ( -12.116 7.586 3.711) 14.769 2.657 ( -1.008 -4.312 -7.293) 8.532 2.657 ( -1.008 4.312 -7.293) 8.532 2.776 ( 2.465 -8.128 2.557) 8.870 2.776 ( 2.465 8.128 2.557) 8.870 2.937 ( 0.638 -0.947 -7.045) 7.137 2.937 ( 0.638 0.947 -7.045) 7.137 3.047 ( 0.255 -8.389 1.279) 8.490 3.047 ( 0.255 8.389 1.279) 8.490 3.308 ( 2.273 -8.247 -2.156) 8.822 3.308 ( 2.273 8.247 -2.156) 8.822 3.380 ( 1.035 -2.818 -0.805) 3.108 3.380 ( 1.035 2.818 -0.805) 3.108 3.661 ( 1.919 -4.784 -9.905) 11.166 3.661 ( 1.919 4.784 -9.905) 11.166 3.863 ( -4.085 -2.855 1.087) 5.101 3.863 ( -4.085 2.855 1.087) 5.101 4.021 ( 1.826 -3.267 -1.061) 3.890 4.021 ( 1.826 3.267 -1.061) 3.890 4.153 ( 0.510 -0.311 -1.766) 1.864 4.153 ( 0.510 0.311 -1.766) 1.864 4.337 ( -3.205 -5.733 1.086) 6.657 4.337 ( -3.205 5.733 1.086) 6.657 4.499 ( -2.599 -6.519 6.282) 9.419 4.499 ( -2.599 6.519 6.282) 9.419 4.789 ( 2.870 -5.509 5.163) 8.077 4.789 ( 2.870 5.509 5.163) 8.077 4.928 ( -3.930 -7.196 2.907) 8.699 4.928 ( -3.930 7.196 2.907) 8.699 5.011 ( -0.583 -1.544 -0.624) 1.764 5.011 ( -0.583 1.544 -0.624) 1.764 5.197 ( 3.965 -4.750 -3.137) 6.937 5.197 ( 3.965 4.750 -3.137) 6.937 5.377 ( -4.329 -5.079 -9.753) 11.818 5.377 ( -4.329 5.079 -9.753) 11.818 5.464 ( 3.196 -4.224 0.143) 5.299 5.464 ( 3.196 4.224 0.143) 5.299 5.555 ( 4.552 -1.294 -4.449) 6.495 5.555 ( 4.552 1.294 -4.449) 6.495 5.718 ( 0.759 -4.668 -2.571) 5.383 5.718 ( 0.759 4.668 -2.571) 5.383 5.876 ( 4.548 -3.672 3.275) 6.700 5.876 ( 4.548 3.672 3.275) 6.700 5.966 ( -0.691 -1.039 0.501) 1.344 5.966 ( -0.691 1.039 0.501) 1.344 6.083 ( -1.668 -2.363 -0.016) 2.893 6.083 ( -1.668 2.363 -0.016) 2.893 6.210 ( -3.291 -4.379 4.309) 6.969 6.210 ( -3.291 4.379 4.309) 6.969 6.461 ( 1.824 -2.150 -0.048) 2.820 6.461 ( 1.824 2.150 -0.048) 2.820 6.750 ( -2.765 -3.616 6.793) 8.177 6.750 ( -2.765 3.616 6.793) 8.177 6.888 ( -0.415 -2.120 5.899) 6.282 6.888 ( -0.415 2.120 5.899) 6.282 7.160 ( 3.244 -1.762 -1.262) 3.901 7.160 ( 3.244 1.762 -1.262) 3.901 7.360 ( -0.015 -7.526 -3.513) 8.305 7.360 ( -0.015 7.526 -3.513) 8.305 7.608 ( 0.093 -0.453 -0.052) 0.466 7.608 ( 0.093 0.453 -0.052) 0.466 7.958 ( 4.199 -4.816 2.459) 6.846 7.958 ( 4.199 4.816 2.459) 6.846 7.989 ( -2.853 -7.292 -2.221) 8.139 7.989 ( -2.853 7.292 -2.221) 8.139 8.291 ( 0.351 -6.799 1.456) 6.962 8.291 ( 0.351 6.799 1.456) 6.962 8.422 ( 4.859 -4.063 1.326) 6.471 8.422 ( 4.859 4.063 1.326) 6.471 8.620 ( -0.198 -12.493 2.901) 12.827 8.620 ( -0.198 12.493 2.901) 12.827 8.670 ( -1.080 -2.521 -4.174) 4.994 8.670 ( -1.080 2.521 -4.174) 4.994 8.872 ( -1.807 -6.436 -0.651) 6.716 8.872 ( -1.807 6.436 -0.651) 6.716 8.965 ( -2.031 -4.950 2.550) 5.927 8.965 ( -2.031 4.950 2.550) 5.927 9.104 ( -0.607 -2.990 -0.564) 3.103 9.104 ( -0.607 2.990 -0.564) 3.103 9.223 ( -2.613 -1.001 -1.397) 3.127 9.223 ( -2.613 1.001 -1.397) 3.127 9.368 ( 2.421 -8.705 -2.708) 9.432 9.368 ( 2.421 8.705 -2.708) 9.432 9.569 ( -1.705 -6.314 -2.775) 7.105 9.569 ( -1.705 6.314 -2.775) 7.105 9.733 ( -0.430 -3.356 2.920) 4.470 9.733 ( -0.430 3.356 2.920) 4.470 10.001 ( 0.302 -2.759 -2.299) 3.604 10.001 ( 0.302 2.759 -2.299) 3.604 10.077 ( -1.871 -2.055 -0.888) 2.918 10.077 ( -1.871 2.055 -0.888) 2.918 10.186 ( -3.184 -4.845 2.110) 6.170 10.186 ( -3.184 4.845 2.110) 6.170 11.247 ( -0.498 -3.475 1.142) 3.692 11.247 ( -0.498 3.475 1.142) 3.692 11.317 ( -0.528 -0.670 0.696) 1.101 11.317 ( -0.528 0.670 0.696) 1.101 11.412 ( 0.462 -2.477 -2.428) 3.499 11.412 ( 0.462 2.477 -2.428) 3.499 11.707 ( 1.699 -1.854 -0.238) 2.526 11.707 ( 1.699 1.854 -0.238) 2.526 11.877 ( -1.506 -3.072 1.899) 3.913 11.877 ( -1.506 3.072 1.899) 3.913 12.083 ( 0.239 -0.681 1.543) 1.703 12.083 ( 0.239 0.681 1.543) 1.703 12.715 ( 1.255 -0.760 0.042) 1.468 12.715 ( 1.255 0.760 0.042) 1.468 12.879 ( 0.160 -1.224 0.023) 1.235 12.879 ( 0.160 1.224 0.023) 1.235 12.958 ( -2.091 -3.060 0.364) 3.724 12.958 ( -2.091 3.060 0.364) 3.724 13.119 ( 1.195 -2.661 -0.393) 2.943 13.119 ( 1.195 2.661 -0.393) 2.943 13.195 ( 0.666 -1.422 -0.340) 1.607 13.195 ( 0.666 1.422 -0.340) 1.607 13.362 ( 0.548 -3.698 0.765) 3.816 13.362 ( 0.548 3.698 0.765) 3.816 13.722 ( 0.897 -1.583 1.468) 2.337 13.722 ( 0.897 1.583 1.468) 2.337 13.998 ( -1.078 -1.737 -2.121) 2.946 13.998 ( -1.078 1.737 -2.121) 2.946 15.276 ( -0.231 -2.894 -0.044) 2.903 15.276 ( -0.231 2.894 -0.044) 2.903 15.347 ( -1.727 -1.473 1.102) 2.524 15.347 ( -1.727 1.473 1.102) 2.524 15.862 ( 0.379 -1.464 -1.141) 1.894 15.862 ( 0.379 1.464 -1.141) 1.894 15.906 ( -0.739 -2.901 -3.179) 4.367 15.906 ( -0.739 2.901 -3.179) 4.367 16.051 ( 1.703 -0.879 0.917) 2.124 16.051 ( 1.703 0.879 0.917) 2.124 16.354 ( -2.024 -2.393 -4.380) 5.386 16.354 ( -2.024 2.393 -4.380) 5.386 16.442 ( 1.727 -2.017 1.835) 3.227 16.442 ( 1.727 2.017 1.835) 3.227 16.642 ( -1.448 -0.510 4.077) 4.356 16.642 ( -1.448 0.510 4.077) 4.356 16.905 ( -0.439 -0.238 -2.088) 2.147 16.905 ( -0.439 0.238 -2.088) 2.147 17.047 ( 1.196 -0.895 -0.288) 1.521 17.047 ( 1.196 0.895 -0.288) 1.521 17.259 ( 2.060 -0.794 2.300) 3.188 17.259 ( 2.060 0.794 2.300) 3.188 17.287 ( -1.118 -3.050 -1.807) 3.717 17.287 ( -1.118 3.050 -1.807) 3.717 17.382 ( -1.254 -1.646 2.635) 3.350 17.382 ( -1.254 1.646 2.635) 3.350 17.595 ( 0.353 -1.782 -0.829) 1.997 17.595 ( 0.353 1.782 -0.829) 1.997 17.986 ( -0.306 -0.618 1.077) 1.279 17.986 ( -0.306 0.618 1.077) 1.279 18.086 ( 0.189 -1.886 -2.376) 3.040 18.086 ( 0.189 1.886 -2.376) 3.040 18.390 ( 1.619 -0.990 1.230) 2.262 18.390 ( 1.619 0.990 1.230) 2.262 18.612 ( 0.264 -0.570 -0.838) 1.047 18.612 ( 0.264 0.570 -0.838) 1.047 19.198 ( 0.928 -3.326 -0.309) 3.467 19.198 ( 0.928 3.326 -0.309) 3.467 19.329 ( -1.762 -2.845 0.351) 3.365 19.329 ( -1.762 2.845 0.351) 3.365 28.361 ( -0.059 -0.820 -1.393) 1.617 28.361 ( -0.059 0.820 -1.393) 1.617 28.579 ( 0.048 -3.208 -0.235) 3.217 28.579 ( 0.048 3.208 -0.235) 3.217 28.881 ( 0.089 -2.558 -0.537) 2.615 28.881 ( 0.089 2.558 -0.537) 2.615 29.079 ( 0.346 -2.309 0.797) 2.467 29.079 ( 0.346 2.309 0.797) 2.467 29.508 ( 0.207 -2.563 -0.605) 2.642 29.508 ( 0.207 2.563 -0.605) 2.642 29.617 ( -1.111 -0.363 2.876) 3.104 29.617 ( -1.111 0.363 2.876) 3.104 29.794 ( -0.451 -1.436 1.249) 1.956 29.794 ( -0.451 1.436 1.249) 1.956 29.926 ( 0.298 -1.858 -0.638) 1.987 29.926 ( 0.298 1.858 -0.638) 1.987 30.193 ( -0.482 -1.014 -0.624) 1.285 30.193 ( -0.482 1.014 -0.624) 1.285 30.331 ( 0.370 -0.853 -2.024) 2.227 30.331 ( 0.370 0.853 -2.024) 2.227 30.592 ( 2.965 -1.036 -0.384) 3.165 30.592 ( 2.965 1.036 -0.384) 3.165 30.695 ( -1.590 -5.305 -0.341) 5.548 30.695 ( -1.590 5.305 -0.341) 5.548 30.905 ( -1.248 -0.916 -0.718) 1.707 30.905 ( -1.248 0.916 -0.718) 1.707 31.148 ( 2.298 -6.908 2.038) 7.560 31.148 ( 2.298 6.908 2.038) 7.560 31.201 ( 1.366 -2.403 0.374) 2.790 31.201 ( 1.366 2.403 0.374) 2.790 31.492 ( -6.167 -4.326 -0.300) 7.539 31.492 ( -6.167 4.326 -0.300) 7.539 31.702 ( 4.817 -3.344 1.024) 5.953 31.702 ( 4.817 3.344 1.024) 5.953 31.879 ( 2.414 -0.345 -0.826) 2.574 31.879 ( 2.414 0.345 -0.826) 2.574 32.041 ( -1.289 -2.286 4.365) 5.093 32.041 ( -1.289 2.286 4.365) 5.093 32.739 ( -0.522 -1.165 1.868) 2.263 32.739 ( -0.522 1.165 1.868) 2.263 34.112 ( 6.637 -6.221 0.288) 9.101 34.112 ( 6.637 6.221 0.288) 9.101 34.321 ( -8.577 -7.106 -6.807) 13.054 34.321 ( -8.577 7.106 -6.807) 13.054 34.546 ( 0.833 -1.695 3.390) 3.881 34.546 ( 0.833 1.695 3.390) 3.881 35.497 ( -0.363 -6.014 -2.122) 6.388 35.497 ( -0.363 6.014 -2.122) 6.388 ======================= Grid point 78 (42/60) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -4.900 -6.684 8.080) 11.575 1.729 ( -4.900 6.684 8.080) 11.575 2.075 ( -1.615 -7.640 0.364) 7.817 2.075 ( -1.615 7.640 0.364) 7.817 2.184 ( -2.326 -5.116 7.305) 9.216 2.184 ( -2.326 5.116 7.305) 9.216 2.483 ( 4.895 -12.065 1.708) 13.132 2.483 ( 4.895 12.065 1.708) 13.132 2.577 ( -2.052 -7.249 -1.441) 7.671 2.577 ( -2.052 7.249 -1.441) 7.671 2.757 ( -0.072 -4.994 -7.467) 8.983 2.757 ( -0.072 4.994 -7.467) 8.983 2.821 ( 0.122 -2.899 -3.132) 4.269 2.821 ( 0.122 2.899 -3.132) 4.269 3.159 ( 5.266 -4.055 1.741) 6.870 3.159 ( 5.266 4.055 1.741) 6.870 3.256 ( 1.350 -8.484 -7.101) 11.145 3.256 ( 1.350 8.484 -7.101) 11.145 3.500 ( 2.133 -3.608 3.641) 5.552 3.500 ( 2.133 3.608 3.641) 5.552 3.586 ( 5.438 -7.066 -10.211) 13.556 3.586 ( 5.438 7.066 -10.211) 13.556 3.796 ( -3.714 -1.865 3.948) 5.733 3.796 ( -3.714 1.865 3.948) 5.733 4.011 ( -1.682 -2.365 -1.550) 3.290 4.011 ( -1.682 2.365 -1.550) 3.290 4.150 ( -1.465 -1.007 0.168) 1.786 4.150 ( -1.465 1.007 0.168) 1.786 4.293 ( 0.855 -0.864 0.117) 1.221 4.293 ( 0.855 0.864 0.117) 1.221 4.529 ( 1.518 -5.146 1.910) 5.695 4.529 ( 1.518 5.146 1.910) 5.695 4.796 ( -6.268 -3.890 4.978) 8.899 4.796 ( -6.268 3.890 4.978) 8.899 4.926 ( -6.518 -1.254 0.951) 6.706 4.926 ( -6.518 1.254 0.951) 6.706 5.022 ( 1.850 -3.605 3.313) 5.234 5.022 ( 1.850 3.605 3.313) 5.234 5.168 ( -1.096 -8.089 -4.077) 9.125 5.168 ( -1.096 8.089 -4.077) 9.125 5.277 ( 2.793 -3.350 -3.686) 5.710 5.277 ( 2.793 3.350 -3.686) 5.710 5.481 ( 2.128 -5.005 -5.996) 8.095 5.481 ( 2.128 5.005 -5.996) 8.095 5.583 ( 0.619 -1.648 -0.676) 1.885 5.583 ( 0.619 1.648 -0.676) 1.885 5.687 ( 3.084 -6.482 -3.521) 7.995 5.687 ( 3.084 6.482 -3.521) 7.995 5.927 ( -1.344 -2.471 -0.684) 2.895 5.927 ( -1.344 2.471 -0.684) 2.895 5.988 ( -0.341 -2.018 0.259) 2.063 5.988 ( -0.341 2.018 0.259) 2.063 6.074 ( 0.465 -0.775 -0.136) 0.914 6.074 ( 0.465 0.775 -0.136) 0.914 6.260 ( 3.033 -2.480 6.346) 7.458 6.260 ( 3.033 2.480 6.346) 7.458 6.461 ( -3.595 -3.723 1.770) 5.470 6.461 ( -3.595 3.723 1.770) 5.470 6.755 ( -2.706 -3.467 3.109) 5.386 6.755 ( -2.706 3.467 3.109) 5.386 6.925 ( -3.547 -1.162 6.604) 7.586 6.925 ( -3.547 1.162 6.604) 7.586 7.163 ( -0.916 -3.288 0.690) 3.482 7.163 ( -0.916 3.288 0.690) 3.482 7.334 ( 1.001 -5.559 -3.638) 6.718 7.334 ( 1.001 5.559 -3.638) 6.718 7.600 ( 0.136 -3.595 -0.179) 3.602 7.600 ( 0.136 3.595 -0.179) 3.602 7.936 ( -2.019 -3.483 -0.711) 4.088 7.936 ( -2.019 3.483 -0.711) 4.088 8.040 ( 2.233 -1.147 0.199) 2.518 8.040 ( 2.233 1.147 0.199) 2.518 8.294 ( -2.793 -5.973 3.707) 7.564 8.294 ( -2.793 5.973 3.707) 7.564 8.487 ( 0.170 -4.228 -3.213) 5.313 8.487 ( 0.170 4.228 -3.213) 5.313 8.578 ( -1.566 -10.578 -1.188) 10.759 8.578 ( -1.566 10.578 -1.188) 10.759 8.708 ( 1.205 -2.942 5.161) 6.061 8.708 ( 1.205 2.942 5.161) 6.061 8.848 ( 1.038 -5.795 -1.065) 5.982 8.848 ( 1.038 5.795 -1.065) 5.982 8.939 ( 0.676 -8.141 -2.293) 8.485 8.939 ( 0.676 8.141 -2.293) 8.485 9.085 ( -0.158 -2.702 1.456) 3.074 9.085 ( -0.158 2.702 1.456) 3.074 9.250 ( 4.334 -1.433 -1.222) 4.725 9.250 ( 4.334 1.433 -1.222) 4.725 9.413 ( 5.079 -8.604 -1.229) 10.067 9.413 ( 5.079 8.604 -1.229) 10.067 9.507 ( -0.674 -6.623 -3.426) 7.487 9.507 ( -0.674 6.623 -3.426) 7.487 9.771 ( 0.248 -2.694 2.828) 3.914 9.771 ( 0.248 2.694 2.828) 3.914 9.963 ( -1.749 -2.160 -2.430) 3.692 9.963 ( -1.749 2.160 -2.430) 3.692 10.075 ( 4.933 -3.103 -1.421) 5.999 10.075 ( 4.933 3.103 -1.421) 5.999 10.178 ( -0.883 -2.237 2.231) 3.281 10.178 ( -0.883 2.237 2.231) 3.281 11.254 ( -0.770 -4.101 1.943) 4.603 11.254 ( -0.770 4.101 1.943) 4.603 11.325 ( 0.493 -0.282 0.408) 0.699 11.325 ( 0.493 0.282 0.408) 0.699 11.385 ( 0.068 -1.796 -2.885) 3.399 11.385 ( 0.068 1.796 -2.885) 3.399 11.719 ( -0.105 -1.287 -0.230) 1.311 11.719 ( -0.105 1.287 -0.230) 1.311 11.880 ( -0.812 -3.557 1.825) 4.080 11.880 ( -0.812 3.557 1.825) 4.080 12.108 ( 0.366 -0.955 1.657) 1.947 12.108 ( 0.366 0.955 1.657) 1.947 12.759 ( 1.440 -0.146 0.839) 1.673 12.759 ( 1.440 0.146 0.839) 1.673 12.848 ( -0.794 -1.358 -1.792) 2.384 12.848 ( -0.794 1.358 -1.792) 2.384 12.921 ( -1.919 -2.182 1.388) 3.220 12.921 ( -1.919 2.182 1.388) 3.220 13.140 ( 0.758 -1.013 -0.558) 1.383 13.140 ( 0.758 1.013 -0.558) 1.383 13.188 ( -0.919 -0.780 -0.211) 1.224 13.188 ( -0.919 0.780 -0.211) 1.224 13.366 ( -0.700 -1.151 0.540) 1.452 13.366 ( -0.700 1.151 0.540) 1.452 13.784 ( 1.551 -1.669 3.630) 4.286 13.784 ( 1.551 1.669 3.630) 4.286 13.928 ( -1.560 -1.816 -4.131) 4.775 13.928 ( -1.560 1.816 -4.131) 4.775 15.284 ( 1.081 -0.890 -0.213) 1.416 15.284 ( 1.081 0.890 -0.213) 1.416 15.350 ( 0.810 -2.051 1.378) 2.601 15.350 ( 0.810 2.051 1.378) 2.601 15.831 ( -1.430 -0.769 -1.558) 2.251 15.831 ( -1.430 0.769 -1.558) 2.251 15.881 ( 1.150 -1.977 -2.295) 3.240 15.881 ( 1.150 1.977 -2.295) 3.240 16.080 ( 0.014 -0.491 0.547) 0.735 16.080 ( 0.014 0.491 0.547) 0.735 16.290 ( 0.052 -1.907 -2.647) 3.263 16.290 ( 0.052 1.907 -2.647) 3.263 16.485 ( 1.215 -0.782 0.555) 1.548 16.485 ( 1.215 0.782 0.555) 1.548 16.662 ( -1.479 -1.214 3.390) 3.892 16.662 ( -1.479 1.214 3.390) 3.892 16.886 ( 0.967 -0.105 -1.949) 2.179 16.886 ( 0.967 0.105 -1.949) 2.179 17.043 ( -0.784 -1.050 -0.447) 1.384 17.043 ( -0.784 1.050 -0.447) 1.384 17.253 ( -0.701 -1.758 -0.664) 2.006 17.253 ( -0.701 1.758 -0.664) 2.006 17.303 ( 0.423 -1.048 0.730) 1.345 17.303 ( 0.423 1.048 0.730) 1.345 17.400 ( -1.564 -1.760 4.143) 4.765 17.400 ( -1.564 1.760 4.143) 4.765 17.584 ( 0.505 -1.159 -2.000) 2.366 17.584 ( 0.505 1.159 -2.000) 2.366 18.001 ( -0.050 -1.442 1.383) 1.999 18.001 ( -0.050 1.442 1.383) 1.999 18.066 ( 1.011 -1.259 -2.120) 2.665 18.066 ( 1.011 1.259 -2.120) 2.665 18.429 ( 0.046 -1.266 0.893) 1.550 18.429 ( 0.046 1.266 0.893) 1.550 18.596 ( -0.540 -0.708 -0.954) 1.305 18.596 ( -0.540 0.708 -0.954) 1.305 19.205 ( -0.085 -3.867 -0.326) 3.882 19.205 ( -0.085 3.867 -0.326) 3.882 19.315 ( 0.268 -3.073 0.401) 3.110 19.315 ( 0.268 3.073 0.401) 3.110 28.351 ( 0.632 -0.595 -1.271) 1.539 28.351 ( 0.632 0.595 -1.271) 1.539 28.576 ( 0.167 -2.389 -0.504) 2.448 28.576 ( 0.167 2.389 -0.504) 2.448 28.883 ( 0.987 -1.066 -0.296) 1.483 28.883 ( 0.987 1.066 -0.296) 1.483 29.086 ( -0.611 -1.141 0.750) 1.496 29.086 ( -0.611 1.141 0.750) 1.496 29.510 ( 0.578 -1.031 -0.557) 1.306 29.510 ( 0.578 1.031 -0.557) 1.306 29.633 ( -0.990 -0.607 2.821) 3.050 29.633 ( -0.990 0.607 2.821) 3.050 29.813 ( 0.230 -2.333 2.106) 3.151 29.813 ( 0.230 2.333 2.106) 3.151 29.905 ( -0.862 -1.308 -1.581) 2.226 29.905 ( -0.862 1.308 -1.581) 2.226 30.191 ( 0.827 -0.714 -0.305) 1.135 30.191 ( 0.827 0.714 -0.305) 1.135 30.310 ( 0.335 -1.668 -2.364) 2.912 30.310 ( 0.335 1.668 -2.364) 2.912 30.593 ( -3.185 -2.429 -0.391) 4.025 30.593 ( -3.185 2.429 -0.391) 4.025 30.668 ( 0.573 -0.325 -0.274) 0.714 30.668 ( 0.573 0.325 -0.274) 0.714 30.857 ( -2.669 -1.598 -0.231) 3.119 30.857 ( -2.669 1.598 -0.231) 3.119 31.173 ( -1.952 -1.498 1.505) 2.884 31.173 ( -1.952 1.498 1.505) 2.884 31.271 ( 1.919 -5.264 0.893) 5.673 31.271 ( 1.919 5.264 0.893) 5.673 31.460 ( 5.208 -3.234 -0.680) 6.168 31.460 ( 5.208 3.234 -0.680) 6.168 31.736 ( -1.377 -1.100 0.584) 1.856 31.736 ( -1.377 1.100 0.584) 1.856 31.879 ( -1.036 -2.470 -0.808) 2.797 31.879 ( -1.036 2.470 -0.808) 2.797 32.094 ( -0.432 -2.994 4.938) 5.791 32.094 ( -0.432 2.994 4.938) 5.791 32.757 ( -0.027 -0.652 1.921) 2.029 32.757 ( -0.027 0.652 1.921) 2.029 34.058 ( -7.446 -5.807 -0.260) 9.446 34.058 ( -7.446 5.807 -0.260) 9.446 34.239 ( 3.600 -7.260 -4.787) 9.412 34.239 ( 3.600 7.260 -4.787) 9.412 34.625 ( 3.649 -4.513 1.721) 6.053 34.625 ( 3.649 4.513 1.721) 6.053 35.476 ( 1.067 -2.574 -2.210) 3.556 35.476 ( 1.067 2.574 -2.210) 3.556 ======================= Grid point 80 (43/60) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -8.395 -12.279 0.724) 14.892 1.666 ( -8.395 12.279 0.724) 14.892 1.956 ( -12.486 -17.879 3.972) 22.166 1.956 ( -12.486 17.879 3.972) 22.166 2.259 ( 0.285 -10.415 -2.088) 10.626 2.259 ( 0.285 10.415 -2.088) 10.626 2.445 ( 3.140 -0.520 -0.255) 3.193 2.445 ( 3.140 0.520 -0.255) 3.193 2.671 ( 4.185 -6.747 7.016) 10.595 2.671 ( 4.185 6.747 7.016) 10.595 2.801 ( 12.832 -3.438 -1.356) 13.353 2.801 ( 12.832 3.438 -1.356) 13.353 2.928 ( 6.684 -9.143 0.020) 11.326 2.928 ( 6.684 9.143 0.020) 11.326 3.139 ( -0.703 -9.338 -8.496) 12.644 3.139 ( -0.703 9.338 -8.496) 12.644 3.225 ( 0.810 -6.130 0.160) 6.185 3.225 ( 0.810 6.130 0.160) 6.185 3.508 ( 6.188 -5.151 -2.701) 8.492 3.508 ( 6.188 5.151 -2.701) 8.492 3.526 ( -7.235 -8.329 -5.350) 12.261 3.526 ( -7.235 8.329 -5.350) 12.261 3.812 ( -7.026 -2.220 5.377) 9.122 3.812 ( -7.026 2.220 5.377) 9.122 4.002 ( 5.953 -4.455 -0.351) 7.444 4.002 ( 5.953 4.455 -0.351) 7.444 4.138 ( -1.572 -5.868 4.465) 7.539 4.138 ( -1.572 5.868 4.465) 7.539 4.390 ( 7.098 -2.534 1.326) 7.652 4.390 ( 7.098 2.534 1.326) 7.652 4.591 ( -3.406 -4.669 1.320) 5.928 4.591 ( -3.406 4.669 1.320) 5.928 4.707 ( -6.239 -3.720 -2.364) 7.639 4.707 ( -6.239 3.720 -2.364) 7.639 4.809 ( -0.627 -2.006 1.967) 2.879 4.809 ( -0.627 2.006 1.967) 2.879 5.058 ( -4.797 -1.267 3.005) 5.801 5.058 ( -4.797 1.267 3.005) 5.801 5.137 ( 0.969 -5.073 1.962) 5.525 5.137 ( 0.969 5.073 1.962) 5.525 5.309 ( 2.730 -3.811 -2.252) 5.200 5.309 ( 2.730 3.811 -2.252) 5.200 5.428 ( 0.047 -5.395 -4.068) 6.758 5.428 ( 0.047 5.395 -4.068) 6.758 5.565 ( 0.601 -2.479 -0.983) 2.734 5.565 ( 0.601 2.479 -0.983) 2.734 5.710 ( 1.500 -5.126 -3.669) 6.479 5.710 ( 1.500 5.126 -3.669) 6.479 5.841 ( -5.726 -0.680 -2.397) 6.245 5.841 ( -5.726 0.680 -2.397) 6.245 5.987 ( 1.522 -1.481 -0.450) 2.171 5.987 ( 1.522 1.481 -0.450) 2.171 6.082 ( -0.218 -2.003 0.502) 2.076 6.082 ( -0.218 2.003 0.502) 2.076 6.364 ( -4.423 -3.975 0.734) 5.992 6.364 ( -4.423 3.975 0.734) 5.992 6.388 ( 2.446 -1.666 0.667) 3.033 6.388 ( 2.446 1.666 0.667) 3.033 6.756 ( -4.350 -4.241 4.783) 7.732 6.756 ( -4.350 4.241 4.783) 7.732 6.950 ( -0.488 -4.202 5.557) 6.984 6.950 ( -0.488 4.202 5.557) 6.984 7.162 ( -2.232 -6.765 2.477) 7.542 7.162 ( -2.232 6.765 2.477) 7.542 7.280 ( -1.692 -5.910 -4.907) 7.866 7.280 ( -1.692 5.910 -4.907) 7.866 7.626 ( 1.665 -3.250 -0.116) 3.653 7.626 ( 1.665 3.250 -0.116) 3.653 7.914 ( 0.195 -0.656 2.290) 2.390 7.914 ( 0.195 0.656 2.290) 2.390 8.007 ( -2.580 -5.536 -1.988) 6.423 8.007 ( -2.580 5.536 -1.988) 6.423 8.315 ( 0.284 -4.227 1.371) 4.453 8.315 ( 0.284 4.227 1.371) 4.453 8.405 ( -2.022 -3.036 -5.255) 6.397 8.405 ( -2.022 3.036 -5.255) 6.397 8.566 ( 1.495 -9.829 0.729) 9.969 8.566 ( 1.495 9.829 0.729) 9.969 8.727 ( -4.182 -3.279 2.885) 6.047 8.727 ( -4.182 3.279 2.885) 6.047 8.843 ( -1.398 -3.430 1.111) 3.867 8.843 ( -1.398 3.430 1.111) 3.867 8.953 ( 1.689 -3.478 -4.921) 6.259 8.953 ( 1.689 3.478 -4.921) 6.259 9.173 ( 4.979 -2.970 3.870) 6.970 9.173 ( 4.979 2.970 3.870) 6.970 9.263 ( 2.877 -9.721 -5.346) 11.461 9.263 ( 2.877 9.721 -5.346) 11.461 9.451 ( 4.241 -4.922 -3.644) 7.449 9.451 ( 4.241 4.922 -3.644) 7.449 9.550 ( 5.101 -4.095 2.825) 7.125 9.550 ( 5.101 4.095 2.825) 7.125 9.768 ( -1.341 -3.628 -1.998) 4.354 9.768 ( -1.341 3.628 -1.998) 4.354 9.926 ( -3.235 -3.034 3.775) 5.824 9.926 ( -3.235 3.034 3.775) 5.824 10.179 ( 6.092 -9.107 0.017) 10.956 10.179 ( 6.092 9.107 0.017) 10.956 10.230 ( 6.393 -4.191 0.165) 7.646 10.230 ( 6.393 4.191 0.165) 7.646 11.267 ( -0.922 -4.467 2.737) 5.319 11.267 ( -0.922 4.467 2.737) 5.319 11.325 ( 0.262 -1.320 -2.400) 2.751 11.325 ( 0.262 1.320 -2.400) 2.751 11.366 ( 0.501 -1.103 -0.091) 1.215 11.366 ( 0.501 1.103 -0.091) 1.215 11.694 ( -2.266 -0.482 -0.526) 2.375 11.694 ( -2.266 0.482 -0.526) 2.375 11.893 ( 0.414 -5.204 1.118) 5.339 11.893 ( 0.414 5.204 1.118) 5.339 12.126 ( 0.298 -1.571 0.216) 1.614 12.126 ( 0.298 1.571 0.216) 1.614 12.725 ( -1.372 -1.797 -2.246) 3.186 12.725 ( -1.372 1.797 -2.246) 3.186 12.871 ( -0.024 -2.482 0.186) 2.489 12.871 ( -0.024 2.482 0.186) 2.489 12.940 ( 1.516 -0.476 4.045) 4.345 12.940 ( 1.516 0.476 4.045) 4.345 13.121 ( -1.145 -1.478 -1.763) 2.570 13.121 ( -1.145 1.478 -1.763) 2.570 13.172 ( -0.355 -0.477 0.528) 0.795 13.172 ( -0.355 0.477 0.528) 0.795 13.359 ( -0.972 -1.891 0.525) 2.191 13.359 ( -0.972 1.891 0.525) 2.191 13.766 ( -2.887 -1.675 -2.982) 4.475 13.766 ( -2.887 1.675 -2.982) 4.475 13.942 ( 2.905 -2.851 2.753) 4.914 13.942 ( 2.905 2.851 2.753) 4.914 15.301 ( 1.317 -1.558 -0.316) 2.064 15.301 ( 1.317 1.558 -0.316) 2.064 15.412 ( 4.179 -1.702 1.359) 4.713 15.412 ( 4.179 1.702 1.359) 4.713 15.796 ( -1.340 -1.450 -0.157) 1.981 15.796 ( -1.340 1.450 -0.157) 1.981 15.878 ( 0.475 -1.589 -0.686) 1.794 15.878 ( 0.475 1.589 -0.686) 1.794 16.056 ( -1.872 -1.911 -1.277) 2.964 16.056 ( -1.872 1.911 -1.277) 2.964 16.307 ( 3.021 -1.464 0.733) 3.436 16.307 ( 3.021 1.464 0.733) 3.436 16.490 ( 0.104 -1.003 -1.460) 1.774 16.490 ( 0.104 1.003 -1.460) 1.774 16.674 ( -1.053 -1.848 2.620) 3.374 16.674 ( -1.053 1.848 2.620) 3.374 16.889 ( 1.509 -0.287 -1.223) 1.963 16.889 ( 1.509 0.287 -1.223) 1.963 17.020 ( -1.638 -2.621 0.023) 3.091 17.020 ( -1.638 2.621 0.023) 3.091 17.251 ( 0.083 -0.769 1.141) 1.379 17.251 ( 0.083 0.769 1.141) 1.379 17.294 ( -1.159 -2.060 -1.126) 2.618 17.294 ( -1.159 2.060 -1.126) 2.618 17.410 ( -1.856 -1.698 2.330) 3.429 17.410 ( -1.856 1.698 2.330) 3.429 17.574 ( 0.404 -0.787 -0.763) 1.168 17.574 ( 0.404 0.787 -0.763) 1.168 18.003 ( -0.212 -1.307 -0.434) 1.393 18.003 ( -0.212 1.307 -0.434) 1.393 18.078 ( 1.761 -0.888 -0.614) 2.066 18.078 ( 1.761 0.888 -0.614) 2.066 18.391 ( -3.080 -2.223 -1.744) 4.180 18.391 ( -3.080 2.223 -1.744) 4.180 18.582 ( -0.738 -1.674 0.104) 1.833 18.582 ( -0.738 1.674 0.104) 1.833 19.186 ( -1.067 -3.732 -0.671) 3.939 19.186 ( -1.067 3.732 -0.671) 3.939 19.352 ( 2.283 -5.215 1.281) 5.835 19.352 ( 2.283 5.215 1.281) 5.835 28.352 ( 1.003 -0.747 -0.748) 1.457 28.352 ( 1.003 0.747 -0.748) 1.457 28.572 ( -0.061 -2.511 -0.422) 2.547 28.572 ( -0.061 2.511 -0.422) 2.547 28.910 ( 2.374 -1.891 -0.433) 3.066 28.910 ( 2.374 1.891 -0.433) 3.066 29.070 ( -1.959 -0.725 0.067) 2.090 29.070 ( -1.959 0.725 0.067) 2.090 29.510 ( -0.063 -0.542 -0.190) 0.578 29.510 ( -0.063 0.542 -0.190) 0.578 29.647 ( -0.370 -1.291 1.712) 2.176 29.647 ( -0.370 1.291 1.712) 2.176 29.836 ( -0.338 -2.251 0.957) 2.470 29.836 ( -0.338 2.251 0.957) 2.470 29.881 ( -0.087 -0.543 -0.316) 0.634 29.881 ( -0.087 0.543 -0.316) 0.634 30.211 ( 1.699 -0.757 0.140) 1.865 30.211 ( 1.699 0.757 0.140) 1.865 30.291 ( -0.324 -1.484 -0.986) 1.811 30.291 ( -0.324 1.484 -0.986) 1.811 30.517 ( -3.973 -5.274 -0.730) 6.643 30.517 ( -3.973 5.274 -0.730) 6.643 30.685 ( -0.265 -2.611 1.054) 2.828 30.685 ( -0.265 2.611 1.054) 2.828 30.838 ( -0.162 -1.969 2.518) 3.200 30.838 ( -0.162 1.969 2.518) 3.200 31.107 ( -3.285 -4.738 -2.184) 6.165 31.107 ( -3.285 4.738 -2.184) 6.165 31.341 ( 4.613 -0.398 0.968) 4.730 31.341 ( 4.613 0.398 0.968) 4.730 31.538 ( 1.252 -4.542 -0.233) 4.717 31.538 ( 1.252 4.542 -0.233) 4.717 31.706 ( -2.256 -3.665 -0.162) 4.307 31.706 ( -2.256 3.665 -0.162) 4.307 31.826 ( -2.433 -2.670 -2.011) 4.135 31.826 ( -2.433 2.670 -2.011) 4.135 32.109 ( -1.684 -1.309 1.056) 2.380 32.109 ( -1.684 1.309 1.056) 2.380 32.775 ( 0.062 -1.589 0.809) 1.784 32.775 ( 0.062 1.589 0.809) 1.784 34.005 ( -1.873 -10.958 2.029) 11.301 34.005 ( -1.873 10.958 2.029) 11.301 34.246 ( 1.131 -9.043 2.681) 9.500 34.246 ( 1.131 9.043 2.681) 9.500 34.674 ( 3.553 -4.714 -4.367) 7.343 34.674 ( 3.553 4.714 -4.367) 7.343 35.482 ( 1.640 -5.124 -0.924) 5.458 35.482 ( 1.640 5.124 -0.924) 5.458 ======================= Grid point 82 (44/60) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -3.712 -23.853 -1.918) 24.216 1.521 ( -3.712 23.853 -1.918) 24.216 1.810 ( -14.067 -23.111 11.858) 29.540 1.810 ( -14.067 23.111 11.858) 29.540 2.286 ( 7.612 -8.937 -6.333) 13.339 2.286 ( 7.612 8.937 -6.333) 13.339 2.523 ( 4.465 -6.957 -5.151) 9.740 2.523 ( 4.465 6.957 -5.151) 9.740 2.750 ( 1.317 -4.986 -2.850) 5.892 2.750 ( 1.317 4.986 -2.850) 5.892 2.898 ( 3.246 -3.873 -0.391) 5.069 2.898 ( 3.246 3.873 -0.391) 5.069 3.006 ( 3.188 -7.903 -2.867) 8.991 3.006 ( 3.188 7.903 -2.867) 8.991 3.106 ( -0.518 -8.521 1.601) 8.685 3.106 ( -0.518 8.521 1.601) 8.685 3.304 ( -3.180 -8.967 -3.123) 10.013 3.304 ( -3.180 8.967 -3.123) 10.013 3.393 ( 5.469 -7.167 8.090) 12.113 3.393 ( 5.469 7.167 8.090) 12.113 3.615 ( 7.837 -3.278 -2.675) 8.906 3.615 ( 7.837 3.278 -2.675) 8.906 3.762 ( -4.496 -5.090 7.421) 10.059 3.762 ( -4.496 5.090 7.421) 10.059 4.080 ( 0.376 -1.381 -0.369) 1.478 4.080 ( 0.376 1.381 -0.369) 1.478 4.171 ( 3.207 -7.696 -1.402) 8.455 4.171 ( 3.207 7.696 -1.402) 8.455 4.311 ( -15.855 -0.693 -0.293) 15.873 4.311 ( -15.855 0.693 -0.293) 15.873 4.504 ( 3.035 -6.881 -0.783) 7.561 4.504 ( 3.035 6.881 -0.783) 7.561 4.762 ( -5.666 -1.399 -0.979) 5.918 4.762 ( -5.666 1.399 -0.979) 5.918 4.806 ( 7.226 -6.606 2.446) 10.092 4.806 ( 7.226 6.606 2.446) 10.092 5.035 ( 0.264 -3.450 4.002) 5.290 5.035 ( 0.264 3.450 4.002) 5.290 5.194 ( -0.876 -6.729 -0.878) 6.843 5.194 ( -0.876 6.729 -0.878) 6.843 5.284 ( -0.063 -2.706 0.566) 2.765 5.284 ( -0.063 2.706 0.566) 2.765 5.454 ( 2.179 -4.560 5.010) 7.117 5.454 ( 2.179 4.560 5.010) 7.117 5.552 ( -4.597 -2.720 -7.240) 8.997 5.552 ( -4.597 2.720 -7.240) 8.997 5.623 ( 0.726 -5.457 2.264) 5.952 5.623 ( 0.726 5.457 2.264) 5.952 5.809 ( 1.697 -2.812 0.795) 3.379 5.809 ( 1.697 2.812 0.795) 3.379 5.962 ( -2.949 -4.045 -3.675) 6.210 5.962 ( -2.949 4.045 -3.675) 6.210 6.088 ( 1.755 -4.550 1.117) 5.003 6.088 ( 1.755 4.550 1.117) 5.003 6.296 ( -3.924 -3.147 1.755) 5.328 6.296 ( -3.924 3.147 1.755) 5.328 6.447 ( 3.464 -1.198 -2.562) 4.472 6.447 ( 3.464 1.198 -2.562) 4.472 6.693 ( -6.674 -3.169 1.103) 7.471 6.693 ( -6.674 3.169 1.103) 7.471 6.987 ( -1.160 -4.624 -0.892) 4.850 6.987 ( -1.160 4.624 -0.892) 4.850 7.119 ( -1.593 -4.985 -4.786) 7.091 7.119 ( -1.593 4.985 -4.786) 7.091 7.217 ( -1.943 -8.709 3.585) 9.616 7.217 ( -1.943 8.709 3.585) 9.616 7.617 ( -0.186 -1.336 -1.387) 1.935 7.617 ( -0.186 1.336 -1.387) 1.935 7.928 ( -0.711 -4.435 -2.162) 4.985 7.928 ( -0.711 4.435 -2.162) 4.985 8.041 ( 1.602 -4.888 3.982) 6.505 8.041 ( 1.602 4.888 3.982) 6.505 8.294 ( 3.577 -2.704 -2.870) 5.324 8.294 ( 3.577 2.704 -2.870) 5.324 8.382 ( 1.665 -3.204 -0.861) 3.712 8.382 ( 1.665 3.204 -0.861) 3.712 8.616 ( -1.643 -3.436 2.999) 4.847 8.616 ( -1.643 3.436 2.999) 4.847 8.680 ( 0.846 -5.128 -1.239) 5.343 8.680 ( 0.846 5.128 -1.239) 5.343 8.823 ( -2.916 -1.178 -0.175) 3.149 8.823 ( -2.916 1.178 -0.175) 3.149 8.876 ( -4.021 -6.417 1.439) 7.709 8.876 ( -4.021 6.417 1.439) 7.709 9.211 ( 1.325 -4.392 -2.871) 5.412 9.211 ( 1.325 4.392 -2.871) 5.412 9.320 ( 4.797 -5.257 0.078) 7.117 9.320 ( 4.797 5.257 0.078) 7.117 9.527 ( 6.248 -3.721 -1.019) 7.343 9.527 ( 6.248 3.721 -1.019) 7.343 9.659 ( 4.091 -4.405 2.000) 6.336 9.659 ( 4.091 4.405 2.000) 6.336 9.720 ( -1.642 -6.714 -0.454) 6.927 9.720 ( -1.642 6.714 -0.454) 6.927 9.903 ( -5.390 -2.971 3.917) 7.295 9.903 ( -5.390 2.971 3.917) 7.295 10.268 ( 3.284 -4.690 0.699) 5.768 10.268 ( 3.284 4.690 0.699) 5.768 10.344 ( 7.477 -9.265 -3.043) 12.289 10.344 ( 7.477 9.265 -3.043) 12.289 11.278 ( -0.747 -2.268 1.097) 2.628 11.278 ( -0.747 2.268 1.097) 2.628 11.305 ( 0.001 -2.571 -0.406) 2.603 11.305 ( 0.001 2.571 -0.406) 2.603 11.382 ( 0.669 -2.023 0.549) 2.200 11.382 ( 0.669 2.023 0.549) 2.200 11.640 ( -2.609 -0.449 -0.873) 2.788 11.640 ( -2.609 0.449 -0.873) 2.788 11.915 ( 0.734 -5.444 0.697) 5.537 11.915 ( 0.734 5.444 0.697) 5.537 12.123 ( 0.246 -2.705 -1.508) 3.107 12.123 ( 0.246 2.705 -1.508) 3.107 12.707 ( 0.763 -2.165 -0.150) 2.300 12.707 ( 0.763 2.165 -0.150) 2.300 12.848 ( -1.388 -2.010 -0.652) 2.528 12.848 ( -1.388 2.010 -0.652) 2.528 12.989 ( -0.651 -1.244 0.880) 1.657 12.989 ( -0.651 1.244 0.880) 1.657 13.090 ( -0.321 -3.131 -0.478) 3.183 13.090 ( -0.321 3.131 -0.478) 3.183 13.189 ( 1.129 -1.652 -0.360) 2.033 13.189 ( 1.129 1.652 -0.360) 2.033 13.340 ( -1.047 -3.008 -0.765) 3.276 13.340 ( -1.047 3.008 -0.765) 3.276 13.705 ( -0.772 -2.341 -0.548) 2.525 13.705 ( -0.772 2.341 -0.548) 2.525 14.003 ( 0.863 -2.985 0.981) 3.258 14.003 ( 0.863 2.985 0.981) 3.258 15.319 ( 0.992 -1.415 0.037) 1.728 15.319 ( 0.992 1.415 0.037) 1.728 15.484 ( 3.483 -0.706 -2.201) 4.180 15.484 ( 3.483 0.706 -2.201) 4.180 15.791 ( -0.704 -2.774 2.603) 3.868 15.791 ( -0.704 2.774 2.603) 3.868 15.880 ( -0.379 -1.668 0.886) 1.926 15.880 ( -0.379 1.668 0.886) 1.926 16.014 ( -1.141 -1.657 -0.794) 2.163 16.014 ( -1.141 1.657 -0.794) 2.163 16.389 ( 4.043 -1.154 2.017) 4.663 16.389 ( 4.043 1.154 2.017) 4.663 16.466 ( -0.344 -1.956 -1.855) 2.717 16.466 ( -0.344 1.956 -1.855) 2.717 16.682 ( -1.012 -1.920 0.979) 2.381 16.682 ( -1.012 1.920 0.979) 2.381 16.902 ( 0.776 -1.250 -0.351) 1.513 16.902 ( 0.776 1.250 -0.351) 1.513 16.994 ( -1.141 -1.485 0.386) 1.912 16.994 ( -1.141 1.485 0.386) 1.912 17.244 ( -1.397 -1.700 -2.220) 3.126 17.244 ( -1.397 1.700 -2.220) 3.126 17.278 ( 0.237 -0.397 2.040) 2.092 17.278 ( 0.237 0.397 2.040) 2.092 17.398 ( -1.134 -1.709 0.181) 2.059 17.398 ( -1.134 1.709 0.181) 2.059 17.570 ( -0.766 -0.346 0.045) 0.842 17.570 ( -0.766 0.346 0.045) 0.842 17.997 ( 0.587 -1.374 -0.400) 1.547 17.997 ( 0.587 1.374 -0.400) 1.547 18.094 ( 0.594 -0.751 -0.329) 1.012 18.094 ( 0.594 0.751 -0.329) 1.012 18.335 ( -1.228 -0.967 0.259) 1.584 18.335 ( -1.228 0.967 0.259) 1.584 18.566 ( -1.259 -0.471 0.282) 1.373 18.566 ( -1.259 0.471 0.282) 1.373 19.167 ( -0.551 -3.438 -0.033) 3.482 19.167 ( -0.551 3.438 -0.033) 3.482 19.396 ( 1.306 -6.530 0.296) 6.666 19.396 ( 1.306 6.530 0.296) 6.666 28.374 ( 1.576 -0.744 0.779) 1.909 28.374 ( 1.576 0.744 0.779) 1.909 28.567 ( -0.176 -3.340 0.203) 3.351 28.567 ( -0.176 3.340 0.203) 3.351 28.936 ( 1.988 -2.645 -1.907) 3.819 28.936 ( 1.988 2.645 -1.907) 3.819 29.024 ( -2.565 -2.437 -0.949) 3.663 29.024 ( -2.565 2.437 -0.949) 3.663 29.508 ( -0.694 -1.330 1.234) 1.943 29.508 ( -0.694 1.330 1.234) 1.943 29.665 ( 0.616 -3.353 1.196) 3.613 29.665 ( 0.616 3.353 1.196) 3.613 29.825 ( -0.837 -1.975 -0.391) 2.181 29.825 ( -0.837 1.975 -0.391) 2.181 29.885 ( 0.242 -1.636 0.229) 1.670 29.885 ( 0.242 1.636 0.229) 1.670 30.240 ( 0.858 -0.966 -0.051) 1.293 30.240 ( 0.858 0.966 -0.051) 1.293 30.279 ( -0.860 -0.993 1.145) 1.743 30.279 ( -0.860 0.993 1.145) 1.743 30.453 ( -1.719 -9.391 -2.098) 9.775 30.453 ( -1.719 9.391 -2.098) 9.775 30.679 ( -0.894 -0.864 0.580) 1.372 30.679 ( -0.894 0.864 0.580) 1.372 30.905 ( 1.534 -3.907 4.034) 5.822 30.905 ( 1.534 3.907 4.034) 5.822 31.060 ( 0.766 -3.578 -0.969) 3.786 31.060 ( 0.766 3.578 -0.969) 3.786 31.395 ( 0.578 -2.164 -1.492) 2.691 31.395 ( 0.578 2.164 -1.492) 2.691 31.513 ( -0.692 -5.705 -0.831) 5.807 31.513 ( -0.692 5.705 -0.831) 5.807 31.598 ( -7.591 -4.479 -1.901) 9.016 31.598 ( -7.591 4.479 -1.901) 9.016 31.817 ( 3.018 -1.396 -2.158) 3.964 31.817 ( 3.018 1.396 -2.158) 3.964 32.089 ( -0.926 -0.409 0.362) 1.075 32.089 ( -0.926 0.409 0.362) 1.075 32.775 ( -0.212 -1.881 -0.581) 1.980 32.775 ( -0.212 1.881 -0.581) 1.980 33.981 ( 0.261 -14.838 -2.860) 15.113 33.981 ( 0.261 14.838 -2.860) 15.113 34.319 ( -2.897 -2.127 4.238) 5.557 34.319 ( -2.897 2.127 4.238) 5.557 34.703 ( 6.073 -3.293 0.910) 6.968 34.703 ( 6.073 3.293 0.910) 6.968 35.502 ( 0.884 -9.817 0.580) 9.874 35.502 ( 0.884 9.817 0.580) 9.874 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -4.115 0.000 -20.668) 21.074 1.066 ( 4.115 0.000 20.668) 21.074 1.473 ( -3.012 0.000 -28.215) 28.375 1.473 ( 3.012 0.000 28.215) 28.375 1.976 ( -2.889 0.000 -29.921) 30.060 1.976 ( 2.889 0.000 29.921) 30.060 2.533 ( 1.559 0.000 -3.558) 3.884 2.533 ( -1.559 0.000 3.558) 3.884 2.648 ( 0.435 0.000 -9.246) 9.256 2.648 ( -0.435 0.000 9.246) 9.256 2.827 ( 9.076 0.000 -11.953) 15.009 2.827 ( -9.076 0.000 11.953) 15.009 3.036 ( -0.058 0.000 -11.689) 11.689 3.036 ( 0.058 0.000 11.689) 11.689 3.195 ( 1.907 0.000 -3.597) 4.071 3.195 ( -1.907 0.000 3.597) 4.071 3.286 ( -5.074 0.000 -4.100) 6.523 3.286 ( 5.074 0.000 4.100) 6.523 3.452 ( 2.409 0.000 -2.705) 3.623 3.452 ( -2.409 0.000 2.705) 3.623 3.628 ( -4.325 0.000 0.267) 4.333 3.628 ( 4.325 0.000 -0.267) 4.333 3.820 ( -3.770 0.000 -9.421) 10.147 3.820 ( 3.770 0.000 9.421) 10.147 3.941 ( -3.878 0.000 -4.655) 6.059 3.941 ( 3.878 0.000 4.655) 6.059 4.054 ( 1.758 0.000 -7.761) 7.958 4.054 ( -1.758 0.000 7.761) 7.958 4.339 ( -8.640 0.000 -5.419) 10.199 4.339 ( 8.640 0.000 5.419) 10.199 4.502 ( 2.111 0.000 -7.451) 7.744 4.502 ( -2.111 0.000 7.451) 7.744 4.710 ( -0.646 0.000 -7.272) 7.301 4.710 ( 0.646 0.000 7.272) 7.301 4.805 ( 11.359 0.000 -11.061) 15.854 4.805 ( -11.359 0.000 11.061) 15.854 5.158 ( -1.693 0.000 -0.051) 1.694 5.158 ( 1.693 0.000 0.051) 1.694 5.217 ( -2.114 0.000 -6.749) 7.072 5.217 ( 2.114 0.000 6.749) 7.072 5.297 ( 2.243 0.000 -1.281) 2.583 5.297 ( -2.243 0.000 1.281) 2.583 5.395 ( -7.332 0.000 -11.304) 13.474 5.395 ( 7.332 0.000 11.304) 13.474 5.630 ( -4.168 0.000 -3.649) 5.540 5.630 ( 4.168 0.000 3.649) 5.540 5.662 ( 4.182 0.000 -5.385) 6.818 5.662 ( -4.182 0.000 5.385) 6.818 5.804 ( -2.599 0.000 -17.843) 18.031 5.804 ( 2.599 0.000 17.843) 18.031 6.017 ( 0.804 0.000 -5.597) 5.655 6.017 ( -0.804 0.000 5.597) 5.655 6.096 ( -4.172 0.000 0.839) 4.255 6.096 ( 4.172 0.000 -0.839) 4.255 6.340 ( 1.810 0.000 -1.668) 2.461 6.340 ( -1.810 0.000 1.668) 2.461 6.456 ( -0.298 0.000 -7.588) 7.594 6.456 ( 0.298 0.000 7.588) 7.594 6.677 ( -0.326 0.000 -8.896) 8.902 6.677 ( 0.326 0.000 8.896) 8.902 6.927 ( 3.817 0.000 -9.419) 10.163 6.927 ( -3.817 0.000 9.419) 10.163 7.082 ( -1.643 0.000 -0.062) 1.644 7.082 ( 1.643 0.000 0.062) 1.644 7.515 ( -1.405 0.000 -6.311) 6.465 7.515 ( 1.405 0.000 6.311) 6.465 7.688 ( -2.788 0.000 -1.195) 3.033 7.688 ( 2.788 0.000 1.195) 3.033 7.963 ( 4.718 0.000 -8.023) 9.308 7.963 ( -4.718 0.000 8.023) 9.308 8.094 ( 4.800 0.000 -2.040) 5.216 8.094 ( -4.800 0.000 2.040) 5.216 8.316 ( 2.458 0.000 -2.049) 3.200 8.316 ( -2.458 0.000 2.049) 3.200 8.384 ( 5.258 0.000 -2.465) 5.808 8.384 ( -5.258 0.000 2.465) 5.808 8.491 ( -1.309 0.000 -1.051) 1.679 8.491 ( 1.309 0.000 1.051) 1.679 8.745 ( -0.526 0.000 -4.134) 4.167 8.745 ( 0.526 0.000 4.134) 4.167 8.830 ( 0.697 0.000 -3.627) 3.694 8.830 ( -0.697 0.000 3.627) 3.694 8.998 ( 4.262 0.000 -9.898) 10.776 8.998 ( -4.262 0.000 9.898) 10.776 9.100 ( -4.684 0.000 -2.115) 5.139 9.100 ( 4.684 0.000 2.115) 5.139 9.169 ( 5.072 0.000 -4.283) 6.639 9.169 ( -5.072 0.000 4.283) 6.639 9.457 ( 1.969 0.000 -2.596) 3.258 9.457 ( -1.969 0.000 2.596) 3.258 9.585 ( 1.808 0.000 -0.611) 1.908 9.585 ( -1.808 0.000 0.611) 1.908 9.912 ( 4.415 0.000 -2.093) 4.886 9.912 ( -4.415 0.000 2.093) 4.886 10.017 ( -6.383 0.000 -0.781) 6.431 10.017 ( 6.383 0.000 0.781) 6.431 10.183 ( -3.318 0.000 0.746) 3.401 10.183 ( 3.318 0.000 -0.746) 3.401 10.248 ( -5.689 0.000 1.780) 5.961 10.248 ( 5.689 0.000 -1.780) 5.961 11.239 ( 2.812 0.000 -3.818) 4.742 11.239 ( -2.812 0.000 3.818) 4.742 11.340 ( -2.377 0.000 -1.389) 2.753 11.340 ( 2.377 0.000 1.389) 2.753 11.477 ( 2.123 0.000 -3.471) 4.069 11.477 ( -2.123 0.000 3.471) 4.069 11.722 ( -8.348 0.000 -1.874) 8.555 11.722 ( 8.348 0.000 1.874) 8.555 11.833 ( -0.629 0.000 -1.582) 1.703 11.833 ( 0.629 0.000 1.582) 1.703 12.227 ( 1.357 0.000 -1.879) 2.318 12.227 ( -1.357 0.000 1.879) 2.318 12.741 ( -2.416 0.000 -2.098) 3.200 12.741 ( 2.416 0.000 2.098) 3.200 12.775 ( -1.652 0.000 -0.755) 1.816 12.775 ( 1.652 0.000 0.755) 1.816 12.917 ( -0.026 0.000 -1.459) 1.459 12.917 ( 0.026 0.000 1.459) 1.459 13.143 ( -1.923 0.000 -3.156) 3.695 13.143 ( 1.923 0.000 3.156) 3.695 13.261 ( -1.673 0.000 -0.657) 1.797 13.261 ( 1.673 0.000 0.657) 1.797 13.361 ( -0.487 0.000 -2.964) 3.004 13.361 ( 0.487 0.000 2.964) 3.004 13.733 ( -1.282 0.000 -5.505) 5.652 13.733 ( 1.282 0.000 5.505) 5.652 13.964 ( -1.750 0.000 -3.352) 3.781 13.964 ( 1.750 0.000 3.352) 3.781 15.298 ( -2.112 0.000 -0.260) 2.128 15.298 ( 2.112 0.000 0.260) 2.128 15.461 ( 1.293 0.000 -1.560) 2.026 15.461 ( -1.293 0.000 1.560) 2.026 15.635 ( 0.315 0.000 -0.650) 0.722 15.635 ( -0.315 0.000 0.650) 0.722 16.011 ( -0.862 0.000 -2.394) 2.545 16.011 ( 0.862 0.000 2.394) 2.545 16.051 ( 0.539 0.000 -0.470) 0.715 16.051 ( -0.539 0.000 0.470) 0.715 16.330 ( 0.557 0.000 -0.278) 0.622 16.330 ( -0.557 0.000 0.278) 0.622 16.553 ( -2.493 0.000 -0.352) 2.517 16.553 ( 2.493 0.000 0.352) 2.517 16.567 ( -0.854 0.000 -1.598) 1.812 16.567 ( 0.854 0.000 1.598) 1.812 16.890 ( -1.120 0.000 -0.402) 1.190 16.890 ( 1.120 0.000 0.402) 1.190 16.987 ( -1.092 0.000 -0.530) 1.214 16.987 ( 1.092 0.000 0.530) 1.214 17.217 ( 1.009 0.000 -2.098) 2.328 17.217 ( -1.009 0.000 2.098) 2.328 17.329 ( 2.099 0.000 -2.934) 3.608 17.329 ( -2.099 0.000 2.934) 3.608 17.472 ( 0.859 0.000 -2.397) 2.546 17.472 ( -0.859 0.000 2.397) 2.546 17.545 ( 3.952 0.000 -2.996) 4.959 17.545 ( -3.952 0.000 2.996) 4.959 17.980 ( 1.045 0.000 -2.885) 3.069 17.980 ( -1.045 0.000 2.885) 3.069 18.102 ( -1.687 0.000 0.260) 1.707 18.102 ( 1.687 0.000 -0.260) 1.707 18.405 ( -2.841 0.000 -2.868) 4.037 18.405 ( 2.841 0.000 2.868) 4.037 18.577 ( 2.037 0.000 -3.243) 3.830 18.577 ( -2.037 0.000 3.243) 3.830 19.034 ( 1.655 0.000 -2.073) 2.653 19.034 ( -1.655 0.000 2.073) 2.653 19.609 ( -5.816 0.000 -3.154) 6.616 19.609 ( 5.816 0.000 3.154) 6.616 28.322 ( 0.937 0.000 -2.090) 2.290 28.322 ( -0.937 0.000 2.090) 2.290 28.479 ( 2.468 0.000 -3.432) 4.228 28.479 ( -2.468 0.000 3.432) 4.228 28.888 ( 2.257 0.000 -2.983) 3.740 28.888 ( -2.257 0.000 2.983) 3.740 29.261 ( -6.043 0.000 -1.823) 6.312 29.261 ( 6.043 0.000 1.823) 6.312 29.319 ( 1.368 0.000 -0.847) 1.609 29.319 ( -1.368 0.000 0.847) 1.609 29.581 ( 0.066 0.000 -3.895) 3.896 29.581 ( -0.066 0.000 3.895) 3.896 29.834 ( -0.908 0.000 -1.189) 1.496 29.834 ( 0.908 0.000 1.189) 1.496 29.965 ( -1.648 0.000 -1.217) 2.049 29.965 ( 1.648 0.000 1.217) 2.049 30.091 ( -3.134 0.000 -2.508) 4.014 30.091 ( 3.134 0.000 2.508) 4.014 30.229 ( 0.193 0.000 -0.173) 0.259 30.229 ( -0.193 0.000 0.173) 0.259 30.484 ( 0.086 0.000 -0.156) 0.178 30.484 ( -0.086 0.000 0.156) 0.178 30.728 ( 0.029 0.000 -2.920) 2.920 30.728 ( -0.029 0.000 2.920) 2.920 30.902 ( -6.605 0.000 1.702) 6.821 30.902 ( 6.605 0.000 -1.702) 6.821 31.190 ( -7.709 0.000 -4.159) 8.759 31.190 ( 7.709 0.000 4.159) 8.759 31.271 ( -3.749 0.000 -0.843) 3.842 31.271 ( 3.749 0.000 0.843) 3.842 31.529 ( 0.404 0.000 -0.238) 0.469 31.529 ( -0.404 0.000 0.238) 0.469 31.591 ( -17.552 0.000 4.841) 18.208 31.591 ( 17.552 0.000 -4.841) 18.208 31.756 ( -4.132 0.000 0.528) 4.166 31.756 ( 4.132 0.000 -0.528) 4.166 31.899 ( -1.747 0.000 -0.433) 1.800 31.899 ( 1.747 0.000 0.433) 1.800 32.576 ( 0.520 0.000 -3.120) 3.163 32.576 ( -0.520 0.000 3.120) 3.163 33.184 ( 2.450 0.000 -5.585) 6.099 33.184 ( -2.450 0.000 5.585) 6.099 34.726 ( 1.059 0.000 -1.008) 1.462 34.726 ( -1.059 0.000 1.008) 1.462 34.960 ( -2.070 0.000 -0.542) 2.140 34.960 ( 2.070 0.000 0.542) 2.140 36.107 ( -9.606 0.000 2.200) 9.855 36.107 ( 9.606 0.000 -2.200) 9.855 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 23.674 0.000 -19.604) 30.737 1.098 ( 15.384 0.000 -22.199) 27.009 1.594 ( 15.852 0.000 10.195) 18.847 1.827 ( 27.194 0.000 -26.638) 38.067 1.864 ( 4.538 0.000 24.316) 24.736 2.378 ( 12.156 0.000 -2.583) 12.427 2.525 ( 2.908 0.000 -6.045) 6.708 2.545 ( -4.316 0.000 1.285) 4.503 2.573 ( -3.768 0.000 7.141) 8.075 2.701 ( -5.026 0.000 4.914) 7.029 2.771 ( -10.214 0.000 7.830) 12.870 2.789 ( 6.616 0.000 -5.322) 8.490 3.002 ( -2.633 0.000 -5.472) 6.073 3.063 ( -5.301 0.000 -0.683) 5.345 3.119 ( 1.330 0.000 -2.306) 2.662 3.187 ( 4.243 0.000 1.048) 4.371 3.214 ( -3.453 0.000 4.020) 5.300 3.288 ( -5.520 0.000 3.399) 6.483 3.480 ( 2.078 0.000 -0.554) 2.150 3.553 ( 7.452 0.000 1.344) 7.572 3.610 ( -5.904 0.000 -4.801) 7.610 3.648 ( -0.083 0.000 8.323) 8.323 3.669 ( -7.103 0.000 -1.807) 7.330 3.930 ( 1.134 0.000 4.481) 4.622 3.978 ( 11.123 0.000 5.267) 12.307 4.026 ( 0.441 0.000 2.179) 2.224 4.095 ( 5.980 0.000 1.609) 6.193 4.098 ( -9.308 0.000 -6.615) 11.419 4.176 ( 2.615 0.000 11.147) 11.450 4.402 ( -4.129 0.000 -5.686) 7.027 4.519 ( -4.830 0.000 6.550) 8.138 4.522 ( 5.257 0.000 4.930) 7.207 4.646 ( -0.423 0.000 -2.203) 2.243 4.690 ( -13.166 0.000 1.692) 13.274 4.798 ( -2.754 0.000 10.007) 10.379 4.846 ( 3.344 0.000 -15.884) 16.232 4.963 ( -0.566 0.000 -11.571) 11.585 5.044 ( -2.999 0.000 -6.595) 7.245 5.170 ( 1.614 0.000 -5.972) 6.187 5.176 ( -3.499 0.000 -0.157) 3.503 5.331 ( 6.826 0.000 2.814) 7.384 5.357 ( 5.932 0.000 -8.117) 10.053 5.460 ( 2.870 0.000 9.666) 10.083 5.524 ( 0.043 0.000 -3.676) 3.676 5.601 ( 3.344 0.000 -0.997) 3.489 5.621 ( 8.279 0.000 -9.980) 12.967 5.669 ( -3.427 0.000 4.577) 5.718 5.710 ( 3.357 0.000 0.585) 3.407 5.715 ( 3.175 0.000 -0.184) 3.180 5.907 ( -4.531 0.000 3.718) 5.861 5.973 ( -4.405 0.000 -5.213) 6.825 5.988 ( 1.421 0.000 -3.002) 3.321 6.085 ( 2.489 0.000 -7.457) 7.862 6.202 ( 5.059 0.000 14.042) 14.925 6.302 ( -2.321 0.000 -3.851) 4.497 6.307 ( -1.681 0.000 -3.502) 3.885 6.395 ( -0.847 0.000 1.250) 1.510 6.546 ( -0.066 0.000 7.000) 7.000 6.676 ( 5.171 0.000 -1.540) 5.395 6.703 ( -5.079 0.000 -4.814) 6.998 6.925 ( -3.723 0.000 3.206) 4.913 6.948 ( -7.574 0.000 10.651) 13.069 7.121 ( 0.311 0.000 12.704) 12.708 7.126 ( -1.880 0.000 7.679) 7.906 7.357 ( -0.073 0.000 -7.311) 7.311 7.371 ( -12.429 0.000 -2.882) 12.759 7.732 ( -1.167 0.000 2.095) 2.398 7.736 ( -1.151 0.000 1.751) 2.095 7.908 ( -11.000 0.000 -0.657) 11.020 7.922 ( -10.971 0.000 -3.262) 11.445 7.998 ( 7.322 0.000 -3.823) 8.260 8.052 ( 0.480 0.000 5.354) 5.375 8.233 ( -4.359 0.000 0.666) 4.409 8.317 ( -1.732 0.000 2.484) 3.028 8.415 ( 0.112 0.000 0.631) 0.640 8.492 ( 0.090 0.000 -3.781) 3.782 8.500 ( 4.273 0.000 -1.276) 4.459 8.589 ( 11.292 0.000 -4.508) 12.159 8.676 ( -2.733 0.000 1.386) 3.064 8.759 ( -3.467 0.000 1.757) 3.887 8.814 ( 1.075 0.000 -2.694) 2.901 8.900 ( 4.377 0.000 3.256) 5.456 8.944 ( -3.228 0.000 -4.322) 5.394 9.055 ( 8.494 0.000 -4.919) 9.815 9.074 ( -1.608 0.000 7.179) 7.357 9.132 ( 0.264 0.000 -2.950) 2.962 9.147 ( 1.819 0.000 -7.472) 7.690 9.196 ( 4.237 0.000 1.903) 4.644 9.394 ( -6.164 0.000 0.856) 6.224 9.404 ( -3.735 0.000 -1.019) 3.872 9.624 ( 1.821 0.000 3.067) 3.567 9.650 ( 3.279 0.000 1.537) 3.621 9.742 ( -12.879 0.000 -3.034) 13.232 9.831 ( -5.701 0.000 -4.297) 7.140 9.969 ( 1.409 0.000 -0.824) 1.632 10.090 ( 2.560 0.000 -1.467) 2.950 10.095 ( -7.526 0.000 2.390) 7.896 10.127 ( -1.208 0.000 1.017) 1.579 10.270 ( 0.249 0.000 0.435) 0.501 10.342 ( 5.260 0.000 -1.972) 5.618 11.252 ( -0.902 0.000 3.784) 3.890 11.257 ( 3.763 0.000 -2.651) 4.603 11.300 ( 0.307 0.000 -1.263) 1.299 11.355 ( -1.993 0.000 0.904) 2.189 11.475 ( 0.336 0.000 -2.755) 2.776 11.518 ( 0.889 0.000 3.999) 4.097 11.620 ( -4.010 0.000 2.578) 4.768 11.793 ( -1.149 0.000 -1.881) 2.204 11.835 ( -1.076 0.000 -0.384) 1.142 11.879 ( 1.296 0.000 5.928) 6.068 12.240 ( 1.163 0.000 -0.945) 1.498 12.252 ( 0.598 0.000 3.085) 3.143 12.689 ( -2.651 0.000 -0.169) 2.657 12.760 ( 0.113 0.000 -0.777) 0.785 12.829 ( 2.617 0.000 4.997) 5.641 12.877 ( 3.404 0.000 6.117) 7.000 12.895 ( -0.185 0.000 -1.947) 1.956 12.933 ( 0.965 0.000 1.025) 1.408 13.060 ( -1.831 0.000 -4.437) 4.800 13.190 ( 1.453 0.000 2.114) 2.565 13.255 ( 0.859 0.000 -0.320) 0.917 13.307 ( -1.665 0.000 -3.285) 3.684 13.340 ( 4.667 0.000 1.559) 4.920 13.407 ( 1.211 0.000 2.775) 3.028 13.675 ( 0.902 0.000 -3.939) 4.041 13.845 ( 4.123 0.000 4.728) 6.273 13.890 ( -2.254 0.000 -2.823) 3.612 14.015 ( 0.540 0.000 1.658) 1.744 15.277 ( -0.412 0.000 0.323) 0.524 15.343 ( 1.950 0.000 0.242) 1.965 15.456 ( -1.151 0.000 0.733) 1.364 15.471 ( 2.401 0.000 -1.983) 3.114 15.655 ( 1.128 0.000 1.488) 1.867 15.667 ( 4.058 0.000 0.718) 4.121 15.955 ( -0.740 0.000 -3.903) 3.973 16.022 ( -1.427 0.000 0.741) 1.609 16.030 ( -2.206 0.000 0.067) 2.207 16.031 ( -1.169 0.000 -2.337) 2.613 16.365 ( 2.661 0.000 1.115) 2.885 16.374 ( 0.999 0.000 2.070) 2.299 16.521 ( 1.697 0.000 -2.583) 3.090 16.532 ( -2.373 0.000 1.058) 2.598 16.581 ( -1.072 0.000 0.354) 1.129 16.583 ( 1.596 0.000 -1.196) 1.994 16.850 ( -3.019 0.000 -0.342) 3.038 16.910 ( -0.104 0.000 1.760) 1.763 16.971 ( -0.362 0.000 -0.129) 0.385 17.003 ( -0.348 0.000 0.195) 0.399 17.220 ( 2.216 0.000 -1.300) 2.569 17.227 ( -0.039 0.000 1.422) 1.422 17.322 ( -2.277 0.000 2.181) 3.153 17.325 ( 1.443 0.000 -2.716) 3.076 17.465 ( 1.210 0.000 -2.042) 2.374 17.496 ( 0.947 0.000 2.069) 2.275 17.532 ( -1.779 0.000 3.216) 3.676 17.601 ( 4.768 0.000 -0.271) 4.775 17.994 ( 2.546 0.000 0.203) 2.554 18.008 ( -1.107 0.000 3.047) 3.242 18.079 ( -0.246 0.000 -0.814) 0.850 18.124 ( 2.512 0.000 -2.063) 3.250 18.301 ( -4.745 0.000 -3.899) 6.142 18.461 ( -0.169 0.000 1.326) 1.337 18.498 ( -6.986 0.000 -2.302) 7.356 18.533 ( -0.581 0.000 -3.608) 3.655 19.044 ( -0.590 0.000 2.525) 2.593 19.051 ( 2.767 0.000 -1.758) 3.278 19.426 ( -5.514 0.000 -6.162) 8.268 19.658 ( -1.869 0.000 0.715) 2.001 28.316 ( 1.007 0.000 -1.791) 2.055 28.329 ( -0.952 0.000 1.661) 1.915 28.483 ( 1.982 0.000 -2.505) 3.195 28.488 ( -1.815 0.000 4.857) 5.185 28.891 ( 2.488 0.000 -4.507) 5.148 28.899 ( 0.100 0.000 2.228) 2.231 29.142 ( -6.077 0.000 0.905) 6.144 29.306 ( 1.160 0.000 1.073) 1.580 29.356 ( 3.111 0.000 0.602) 3.169 29.415 ( 0.704 0.000 1.840) 1.970 29.549 ( 1.492 0.000 -2.874) 3.238 29.627 ( 1.903 0.000 2.634) 3.250 29.804 ( -1.157 0.000 -0.887) 1.458 29.858 ( 0.138 0.000 1.136) 1.144 29.920 ( -1.540 0.000 -1.034) 1.855 29.959 ( -1.534 0.000 -3.063) 3.425 30.052 ( 0.479 0.000 0.590) 0.760 30.162 ( 1.784 0.000 0.805) 1.957 30.225 ( -1.014 0.000 -0.037) 1.015 30.244 ( 1.287 0.000 0.981) 1.618 30.449 ( -3.872 0.000 -2.046) 4.379 30.474 ( 0.141 0.000 -0.666) 0.681 30.670 ( -12.427 0.000 -7.758) 14.650 30.771 ( 8.430 0.000 -3.313) 9.058 30.789 ( 2.568 0.000 1.562) 3.006 30.949 ( 1.498 0.000 -1.188) 1.912 31.049 ( -4.904 0.000 3.644) 6.109 31.177 ( -5.311 0.000 1.775) 5.600 31.283 ( -0.929 0.000 1.295) 1.594 31.285 ( -2.259 0.000 -0.625) 2.344 31.365 ( -13.272 0.000 7.036) 15.021 31.524 ( 0.160 0.000 -0.220) 0.272 31.595 ( 3.314 0.000 0.378) 3.336 31.665 ( -3.622 0.000 2.407) 4.349 31.808 ( -0.364 0.000 1.076) 1.135 31.809 ( -0.603 0.000 0.285) 0.667 31.823 ( -3.092 0.000 -0.107) 3.094 31.956 ( 7.003 0.000 1.905) 7.257 32.629 ( 5.806 0.000 -1.311) 5.952 32.723 ( 6.178 0.000 5.819) 8.487 33.361 ( 15.321 0.000 2.771) 15.570 33.443 ( 31.415 0.000 6.792) 32.141 34.685 ( -5.126 0.000 -1.913) 5.472 34.742 ( 1.914 0.000 2.019) 2.782 34.965 ( 3.597 0.000 -0.166) 3.601 35.007 ( 1.013 0.000 2.460) 2.660 35.741 ( -25.748 0.000 -13.876) 29.249 36.098 ( -3.576 0.000 -4.485) 5.736 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 28.780 0.000 -14.062) 32.032 1.328 ( 34.122 0.000 -7.280) 34.890 1.955 ( 32.301 0.000 -7.914) 33.256 2.119 ( 11.577 0.000 3.913) 12.221 2.152 ( 4.830 0.000 6.354) 7.981 2.312 ( -11.468 0.000 -6.790) 13.328 2.365 ( -3.921 0.000 -12.788) 13.375 2.463 ( -4.848 0.000 1.689) 5.134 2.634 ( 6.550 0.000 3.666) 7.506 2.658 ( -5.241 0.000 -1.485) 5.447 2.690 ( 4.549 0.000 -10.028) 11.012 2.834 ( 4.192 0.000 7.730) 8.793 2.911 ( -5.732 0.000 -2.881) 6.415 3.005 ( -17.216 0.000 1.870) 17.317 3.062 ( 1.959 0.000 3.150) 3.710 3.126 ( -1.456 0.000 -1.849) 2.354 3.218 ( -2.093 0.000 -8.242) 8.504 3.366 ( -9.461 0.000 6.882) 11.699 3.478 ( 10.056 0.000 10.290) 14.388 3.576 ( -7.843 0.000 3.083) 8.427 3.597 ( -0.585 0.000 4.153) 4.194 3.659 ( 13.095 0.000 -2.465) 13.325 3.797 ( 3.028 0.000 6.763) 7.410 3.942 ( -4.697 0.000 0.011) 4.697 4.030 ( 3.313 0.000 2.942) 4.430 4.098 ( -3.521 0.000 4.836) 5.982 4.136 ( -5.881 0.000 -2.752) 6.493 4.148 ( 6.014 0.000 -3.689) 7.055 4.228 ( -16.685 0.000 6.065) 17.753 4.371 ( 9.245 0.000 5.514) 10.765 4.451 ( -0.026 0.000 -9.688) 9.688 4.503 ( -3.733 0.000 -0.433) 3.758 4.569 ( 2.102 0.000 -2.273) 3.096 4.609 ( 1.538 0.000 -0.706) 1.692 4.682 ( -3.183 0.000 3.750) 4.919 4.841 ( -6.317 0.000 9.670) 11.551 4.973 ( -2.469 0.000 -1.360) 2.819 5.051 ( 8.572 0.000 -2.044) 8.812 5.080 ( 4.290 0.000 -12.300) 13.027 5.165 ( 3.892 0.000 -1.650) 4.227 5.363 ( 9.055 0.000 -7.812) 11.959 5.466 ( 3.522 0.000 1.495) 3.827 5.532 ( -7.100 0.000 6.320) 9.505 5.547 ( 2.811 0.000 0.016) 2.811 5.620 ( -5.185 0.000 2.121) 5.601 5.630 ( 5.929 0.000 -6.914) 9.108 5.665 ( 4.975 0.000 -5.673) 7.546 5.758 ( 2.923 0.000 -0.274) 2.936 5.782 ( 4.220 0.000 1.197) 4.386 5.872 ( -2.807 0.000 2.056) 3.480 5.887 ( 0.022 0.000 -3.817) 3.817 6.014 ( -0.759 0.000 -6.436) 6.481 6.037 ( 5.004 0.000 3.066) 5.869 6.176 ( -8.776 0.000 -0.482) 8.789 6.208 ( -2.094 0.000 -4.972) 5.395 6.354 ( -2.529 0.000 4.882) 5.498 6.415 ( -0.368 0.000 1.451) 1.497 6.575 ( -2.949 0.000 -4.208) 5.138 6.603 ( 3.308 0.000 -4.288) 5.416 6.718 ( 2.145 0.000 -4.835) 5.289 6.827 ( -7.021 0.000 6.719) 9.718 6.902 ( -6.063 0.000 3.083) 6.802 7.190 ( -6.262 0.000 0.330) 6.271 7.234 ( -7.058 0.000 9.242) 11.629 7.236 ( -3.628 0.000 18.520) 18.872 7.383 ( 4.154 0.000 0.407) 4.174 7.571 ( -10.952 0.000 0.153) 10.953 7.680 ( -4.791 0.000 -1.852) 5.137 7.778 ( -6.014 0.000 5.964) 8.469 7.835 ( 0.364 0.000 -2.386) 2.413 8.065 ( 0.250 0.000 -1.179) 1.205 8.122 ( 6.227 0.000 2.149) 6.587 8.245 ( -1.460 0.000 5.903) 6.081 8.271 ( -3.956 0.000 -1.715) 4.311 8.408 ( -2.219 0.000 -5.497) 5.928 8.422 ( -1.529 0.000 3.741) 4.041 8.535 ( 3.955 0.000 -6.419) 7.539 8.612 ( 3.737 0.000 -0.721) 3.806 8.685 ( -5.611 0.000 1.541) 5.819 8.690 ( -0.185 0.000 -4.583) 4.586 8.836 ( 2.212 0.000 2.408) 3.270 8.893 ( 1.675 0.000 -4.796) 5.080 8.988 ( 0.487 0.000 -7.587) 7.602 9.026 ( 3.606 0.000 -0.630) 3.661 9.116 ( 5.175 0.000 -5.178) 7.321 9.162 ( -2.342 0.000 5.253) 5.752 9.186 ( 7.636 0.000 -0.254) 7.640 9.252 ( -1.792 0.000 -0.195) 1.803 9.303 ( -4.937 0.000 0.763) 4.996 9.367 ( 1.046 0.000 0.957) 1.418 9.550 ( -6.163 0.000 0.611) 6.194 9.624 ( -3.454 0.000 -0.358) 3.472 9.720 ( 3.594 0.000 0.897) 3.704 9.775 ( 2.017 0.000 -0.263) 2.034 9.991 ( 1.320 0.000 -0.047) 1.321 10.054 ( -2.581 0.000 5.716) 6.272 10.063 ( -5.917 0.000 2.178) 6.305 10.159 ( 4.735 0.000 -1.936) 5.116 10.247 ( -2.996 0.000 0.963) 3.147 10.360 ( 1.365 0.000 -4.722) 4.916 11.291 ( 0.679 0.000 2.690) 2.775 11.299 ( 1.552 0.000 1.042) 1.869 11.315 ( 4.907 0.000 -3.212) 5.865 11.327 ( -2.638 0.000 1.768) 3.175 11.418 ( -3.027 0.000 -1.611) 3.429 11.565 ( 0.083 0.000 1.521) 1.524 11.629 ( -0.017 0.000 3.002) 3.002 11.752 ( -1.861 0.000 -1.783) 2.577 11.806 ( -0.619 0.000 -1.215) 1.363 11.870 ( -3.518 0.000 -0.983) 3.653 12.253 ( 1.696 0.000 0.121) 1.701 12.300 ( 0.515 0.000 2.772) 2.820 12.653 ( -1.109 0.000 0.169) 1.122 12.762 ( 0.736 0.000 0.368) 0.823 12.833 ( -3.093 0.000 -2.344) 3.881 12.901 ( -3.759 0.000 2.903) 4.749 12.935 ( 1.010 0.000 2.782) 2.959 12.965 ( -1.227 0.000 0.411) 1.294 13.013 ( 2.509 0.000 -1.476) 2.911 13.234 ( -1.223 0.000 -2.814) 3.068 13.270 ( 1.185 0.000 -0.193) 1.201 13.281 ( 2.965 0.000 4.094) 5.054 13.399 ( 1.968 0.000 -1.882) 2.724 13.455 ( 1.114 0.000 0.977) 1.482 13.676 ( 2.704 0.000 -0.925) 2.858 13.844 ( -0.864 0.000 0.166) 0.879 13.903 ( -0.464 0.000 -2.120) 2.170 14.018 ( -0.976 0.000 -0.384) 1.049 15.291 ( 0.901 0.000 1.183) 1.487 15.356 ( 0.959 0.000 -1.296) 1.613 15.442 ( -0.973 0.000 0.672) 1.182 15.487 ( 1.909 0.000 -2.120) 2.853 15.705 ( 1.945 0.000 2.433) 3.115 15.760 ( 3.244 0.000 2.159) 3.896 15.908 ( 0.586 0.000 -3.831) 3.875 15.966 ( -2.162 0.000 -3.187) 3.852 15.986 ( -2.587 0.000 -0.162) 2.592 15.998 ( -1.899 0.000 0.099) 1.902 16.383 ( -1.741 0.000 2.610) 3.137 16.416 ( 1.794 0.000 0.100) 1.797 16.489 ( 0.323 0.000 -3.442) 3.457 16.539 ( -0.490 0.000 0.323) 0.587 16.543 ( -1.726 0.000 -1.755) 2.462 16.583 ( 0.017 0.000 -1.258) 1.258 16.825 ( -0.127 0.000 1.651) 1.656 16.925 ( -0.428 0.000 1.297) 1.366 16.965 ( -0.396 0.000 -0.231) 0.458 16.974 ( -2.413 0.000 -0.629) 2.494 17.245 ( 2.202 0.000 -2.010) 2.981 17.246 ( 0.666 0.000 0.473) 0.817 17.307 ( -1.656 0.000 1.260) 2.081 17.317 ( 0.749 0.000 -1.786) 1.936 17.463 ( 0.019 0.000 -0.017) 0.026 17.549 ( 0.385 0.000 1.712) 1.754 17.560 ( 0.126 0.000 3.599) 3.601 17.622 ( -0.595 0.000 -2.824) 2.886 17.995 ( 0.761 0.000 2.112) 2.245 18.063 ( 3.564 0.000 2.126) 4.149 18.101 ( 1.487 0.000 1.583) 2.172 18.138 ( 2.840 0.000 -3.549) 4.545 18.261 ( 1.358 0.000 3.764) 4.002 18.392 ( -2.095 0.000 -1.882) 2.816 18.405 ( -2.563 0.000 -3.575) 4.398 18.516 ( -0.580 0.000 -0.314) 0.659 19.066 ( -0.406 0.000 2.599) 2.630 19.078 ( 2.994 0.000 -2.219) 3.727 19.362 ( 1.543 0.000 -0.881) 1.777 19.592 ( -5.338 0.000 -0.586) 5.370 28.312 ( 0.862 0.000 -1.525) 1.752 28.326 ( -1.182 0.000 0.984) 1.538 28.494 ( 2.715 0.000 -1.814) 3.265 28.537 ( -0.621 0.000 6.686) 6.714 28.849 ( -0.771 0.000 -4.685) 4.748 28.934 ( 0.587 0.000 2.147) 2.226 29.081 ( -2.223 0.000 0.062) 2.223 29.229 ( -6.540 0.000 -11.671) 13.378 29.398 ( 2.696 0.000 1.308) 2.996 29.416 ( 3.406 0.000 -0.240) 3.414 29.576 ( 3.681 0.000 -0.071) 3.682 29.689 ( 0.514 0.000 1.981) 2.046 29.778 ( -0.755 0.000 -0.729) 1.050 29.848 ( -1.936 0.000 -1.782) 2.632 29.895 ( -1.286 0.000 0.742) 1.485 29.903 ( -0.361 0.000 -0.954) 1.020 30.118 ( 4.364 0.000 2.910) 5.245 30.176 ( 0.434 0.000 -0.659) 0.789 30.205 ( -0.656 0.000 1.703) 1.825 30.254 ( -0.493 0.000 -1.445) 1.526 30.306 ( -3.499 0.000 -4.979) 6.086 30.488 ( 1.993 0.000 -0.718) 2.119 30.568 ( -0.304 0.000 2.647) 2.664 30.823 ( 0.533 0.000 -0.932) 1.074 30.894 ( 9.530 0.000 -4.201) 10.415 30.957 ( 2.317 0.000 0.137) 2.322 31.064 ( -1.974 0.000 7.761) 8.008 31.106 ( -10.602 0.000 -0.390) 10.609 31.195 ( -1.461 0.000 1.264) 1.932 31.205 ( -3.560 0.000 -3.295) 4.851 31.328 ( -3.892 0.000 5.289) 6.567 31.492 ( -2.580 0.000 -2.151) 3.359 31.645 ( 0.386 0.000 1.292) 1.348 31.668 ( -0.029 0.000 2.619) 2.619 31.731 ( -1.898 0.000 -1.191) 2.241 31.742 ( -5.885 0.000 -0.433) 5.901 31.874 ( 0.957 0.000 5.937) 6.014 32.076 ( 1.895 0.000 4.222) 4.628 32.707 ( 3.505 0.000 1.120) 3.680 32.809 ( 0.333 0.000 1.716) 1.748 33.693 ( 20.352 0.000 0.376) 20.355 34.082 ( 14.198 0.000 16.224) 21.559 34.539 ( -8.739 0.000 -0.801) 8.775 34.800 ( -0.853 0.000 -4.437) 4.519 34.937 ( -8.354 0.000 -9.713) 12.811 35.036 ( 4.942 0.000 -1.870) 5.284 35.282 ( 0.847 0.000 0.137) 0.859 35.933 ( -8.483 0.000 -5.233) 9.967 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 23.181 0.000 -8.847) 24.811 1.798 ( 19.815 0.000 -1.091) 19.845 1.963 ( -11.274 0.000 -2.920) 11.646 2.169 ( -5.818 0.000 -10.187) 11.731 2.180 ( 9.284 0.000 -10.451) 13.979 2.208 ( -7.914 0.000 10.474) 13.127 2.320 ( 1.600 0.000 -4.108) 4.409 2.429 ( -13.870 0.000 8.531) 16.283 2.659 ( 5.459 0.000 -8.954) 10.486 2.696 ( 5.177 0.000 -1.423) 5.369 2.722 ( 6.354 0.000 11.188) 12.867 2.845 ( 0.917 0.000 1.883) 2.094 2.889 ( 4.408 0.000 3.668) 5.734 3.017 ( -2.622 0.000 -3.339) 4.245 3.074 ( 9.424 0.000 -3.103) 9.922 3.146 ( 9.070 0.000 13.169) 15.991 3.248 ( 13.992 0.000 -9.195) 16.743 3.385 ( -5.311 0.000 6.003) 8.015 3.427 ( -14.612 0.000 5.765) 15.708 3.559 ( -30.018 0.000 -5.914) 30.595 3.618 ( 1.319 0.000 -4.682) 4.864 3.653 ( 1.682 0.000 -6.028) 6.258 3.733 ( -0.160 0.000 0.033) 0.164 3.841 ( -8.810 0.000 1.338) 8.911 3.953 ( 2.049 0.000 5.333) 5.713 4.052 ( -1.687 0.000 -1.781) 2.454 4.055 ( 7.976 0.000 3.774) 8.824 4.245 ( -0.777 0.000 -3.621) 3.703 4.291 ( 4.776 0.000 3.549) 5.950 4.409 ( -4.006 0.000 -0.006) 4.006 4.471 ( 3.121 0.000 3.960) 5.042 4.543 ( -2.303 0.000 0.503) 2.357 4.604 ( 6.721 0.000 -3.642) 7.645 4.620 ( 2.239 0.000 -1.354) 2.617 4.724 ( -0.918 0.000 6.976) 7.036 4.824 ( -5.112 0.000 -5.738) 7.684 4.883 ( 3.435 0.000 5.386) 6.388 5.029 ( -6.802 0.000 -0.443) 6.817 5.176 ( 12.512 0.000 -2.268) 12.716 5.331 ( 8.941 0.000 1.509) 9.068 5.377 ( -10.857 0.000 1.786) 11.003 5.427 ( 2.254 0.000 -1.060) 2.491 5.527 ( 3.031 0.000 -1.208) 3.263 5.552 ( 0.532 0.000 -3.241) 3.285 5.589 ( -3.460 0.000 3.868) 5.190 5.610 ( 2.444 0.000 -6.920) 7.339 5.714 ( 5.587 0.000 -2.738) 6.221 5.776 ( -2.515 0.000 0.934) 2.683 5.825 ( -2.541 0.000 0.093) 2.543 5.828 ( 2.451 0.000 -3.730) 4.464 5.937 ( 4.522 0.000 5.034) 6.766 5.966 ( 0.981 0.000 -1.507) 1.798 6.025 ( -6.333 0.000 0.520) 6.355 6.102 ( -4.744 0.000 -4.618) 6.621 6.187 ( 4.103 0.000 6.290) 7.510 6.306 ( -3.409 0.000 -2.932) 4.497 6.399 ( -3.115 0.000 2.243) 3.838 6.432 ( -2.821 0.000 -5.853) 6.498 6.631 ( 2.915 0.000 -1.009) 3.085 6.669 ( -0.471 0.000 -3.140) 3.175 6.844 ( -2.207 0.000 5.254) 5.699 6.861 ( -0.104 0.000 -1.578) 1.581 7.120 ( -1.298 0.000 -1.806) 2.224 7.147 ( -7.165 0.000 2.073) 7.459 7.373 ( -2.696 0.000 13.064) 13.339 7.424 ( 1.292 0.000 -1.436) 1.932 7.504 ( -1.144 0.000 3.878) 4.043 7.579 ( -4.764 0.000 -2.480) 5.371 7.859 ( 6.209 0.000 4.818) 7.859 7.872 ( 4.493 0.000 1.884) 4.872 8.043 ( -0.893 0.000 -1.874) 2.076 8.131 ( -8.100 0.000 -4.055) 9.058 8.202 ( 0.953 0.000 1.931) 2.153 8.260 ( -1.315 0.000 -4.003) 4.214 8.337 ( -2.773 0.000 7.586) 8.077 8.419 ( -0.115 0.000 -5.755) 5.756 8.516 ( 0.561 0.000 1.824) 1.908 8.589 ( -1.417 0.000 -6.565) 6.716 8.690 ( 1.100 0.000 5.504) 5.613 8.730 ( 5.088 0.000 0.341) 5.100 8.844 ( 2.285 0.000 -6.655) 7.036 8.889 ( -2.528 0.000 -3.810) 4.573 8.906 ( -1.844 0.000 9.655) 9.830 9.019 ( -0.667 0.000 -8.080) 8.107 9.164 ( 5.312 0.000 -4.808) 7.165 9.173 ( -3.202 0.000 4.728) 5.711 9.230 ( 2.048 0.000 -0.836) 2.212 9.237 ( -0.531 0.000 1.685) 1.767 9.301 ( 1.398 0.000 1.660) 2.170 9.355 ( -1.710 0.000 -2.752) 3.240 9.531 ( 0.348 0.000 2.712) 2.734 9.580 ( -3.232 0.000 1.067) 3.403 9.806 ( 3.800 0.000 2.139) 4.361 9.819 ( 3.501 0.000 -0.546) 3.543 9.978 ( -5.323 0.000 1.336) 5.488 9.980 ( -1.667 0.000 -2.294) 2.836 10.130 ( 0.703 0.000 8.755) 8.783 10.198 ( 2.723 0.000 -3.655) 4.558 10.231 ( -0.822 0.000 2.487) 2.620 10.288 ( -1.422 0.000 -6.237) 6.397 11.310 ( -1.281 0.000 1.866) 2.263 11.314 ( 0.972 0.000 -1.468) 1.760 11.331 ( 0.732 0.000 1.322) 1.511 11.359 ( -1.843 0.000 -0.307) 1.868 11.401 ( 5.541 0.000 1.259) 5.682 11.521 ( -4.631 0.000 -2.645) 5.333 11.664 ( 0.018 0.000 2.585) 2.586 11.693 ( -0.682 0.000 -2.484) 2.576 11.799 ( 0.591 0.000 0.103) 0.600 11.820 ( -0.705 0.000 -1.422) 1.588 12.294 ( 2.001 0.000 0.724) 2.128 12.320 ( -0.839 0.000 0.821) 1.174 12.666 ( 1.586 0.000 1.590) 2.246 12.739 ( -3.627 0.000 -2.817) 4.593 12.796 ( 2.310 0.000 0.899) 2.479 12.853 ( -4.254 0.000 1.117) 4.399 12.937 ( 0.200 0.000 -1.025) 1.045 12.940 ( -0.349 0.000 -0.985) 1.045 13.100 ( 3.480 0.000 3.572) 4.987 13.180 ( -1.792 0.000 -2.584) 3.145 13.294 ( 1.023 0.000 1.515) 1.828 13.335 ( -0.089 0.000 -1.956) 1.958 13.407 ( 1.683 0.000 1.425) 2.205 13.453 ( -0.580 0.000 -1.792) 1.884 13.737 ( 2.870 0.000 2.622) 3.888 13.825 ( -2.398 0.000 -4.704) 5.280 13.876 ( 2.444 0.000 2.869) 3.768 13.965 ( -3.212 0.000 -2.574) 4.116 15.327 ( 1.059 0.000 1.601) 1.920 15.353 ( 0.201 0.000 -1.403) 1.417 15.451 ( 0.478 0.000 1.530) 1.603 15.479 ( 0.023 0.000 -1.950) 1.951 15.767 ( 1.833 0.000 2.256) 2.906 15.801 ( 0.002 0.000 0.022) 0.022 15.889 ( 1.293 0.000 -2.216) 2.566 15.904 ( -1.649 0.000 -1.131) 1.999 15.953 ( -0.881 0.000 0.039) 0.882 15.963 ( -1.423 0.000 -0.624) 1.554 16.393 ( -1.302 0.000 3.325) 3.571 16.415 ( 0.210 0.000 -2.366) 2.375 16.479 ( 1.668 0.000 -1.065) 1.979 16.505 ( -1.192 0.000 -0.726) 1.396 16.536 ( 0.343 0.000 0.269) 0.436 16.558 ( -1.084 0.000 -1.020) 1.488 16.862 ( 0.931 0.000 2.569) 2.733 16.909 ( -1.280 0.000 -2.070) 2.434 16.942 ( -0.860 0.000 1.074) 1.376 16.950 ( -0.349 0.000 -0.823) 0.894 17.252 ( 1.640 0.000 -1.962) 2.557 17.255 ( -0.220 0.000 0.405) 0.461 17.301 ( -0.792 0.000 1.269) 1.496 17.307 ( 0.532 0.000 -1.682) 1.764 17.467 ( -0.844 0.000 2.115) 2.277 17.497 ( -0.474 0.000 -4.229) 4.256 17.607 ( 0.287 0.000 3.341) 3.353 17.630 ( 0.860 0.000 -0.692) 1.104 18.071 ( 0.130 0.000 6.533) 6.534 18.123 ( 1.861 0.000 -3.805) 4.236 18.140 ( 2.437 0.000 -1.197) 2.715 18.141 ( -0.075 0.000 2.606) 2.607 18.324 ( -0.509 0.000 1.744) 1.817 18.339 ( -0.651 0.000 -2.443) 2.528 18.397 ( 2.475 0.000 3.148) 4.004 18.477 ( -2.330 0.000 -2.198) 3.203 19.087 ( -1.042 0.000 2.922) 3.103 19.094 ( 2.241 0.000 -2.847) 3.624 19.406 ( 2.899 0.000 1.219) 3.144 19.488 ( -4.954 0.000 -1.448) 5.161 28.311 ( 0.959 0.000 -1.266) 1.588 28.316 ( -1.164 0.000 0.913) 1.480 28.541 ( 4.718 0.000 -1.220) 4.873 28.588 ( -3.331 0.000 5.024) 6.028 28.810 ( 1.745 0.000 0.398) 1.790 28.919 ( -3.998 0.000 -4.304) 5.874 29.040 ( -0.139 0.000 -4.138) 4.141 29.051 ( -1.029 0.000 -0.929) 1.386 29.457 ( 1.068 0.000 1.476) 1.822 29.458 ( 2.037 0.000 -0.688) 2.150 29.649 ( 3.385 0.000 0.994) 3.528 29.693 ( -1.209 0.000 0.140) 1.217 29.766 ( 0.104 0.000 -0.033) 0.109 29.788 ( -1.406 0.000 -1.907) 2.369 29.891 ( -0.955 0.000 1.773) 2.014 29.899 ( 0.198 0.000 -0.811) 0.834 30.155 ( -0.681 0.000 1.144) 1.332 30.166 ( 0.448 0.000 -2.181) 2.227 30.223 ( -0.945 0.000 -0.157) 0.958 30.232 ( -0.526 0.000 -2.448) 2.504 30.341 ( 6.401 0.000 7.730) 10.036 30.482 ( -0.865 0.000 -3.970) 4.063 30.623 ( 1.597 0.000 4.718) 4.981 30.751 ( -5.955 0.000 -4.665) 7.565 30.951 ( -0.614 0.000 1.505) 1.626 30.955 ( -0.668 0.000 -2.743) 2.823 31.029 ( 2.760 0.000 2.900) 4.004 31.110 ( -1.672 0.000 -4.766) 5.051 31.164 ( 6.921 0.000 0.347) 6.930 31.231 ( 0.090 0.000 2.715) 2.716 31.311 ( -3.760 0.000 4.856) 6.142 31.393 ( -4.919 0.000 -3.313) 5.930 31.619 ( -0.928 0.000 -1.102) 1.441 31.639 ( -4.234 0.000 0.097) 4.235 31.709 ( 0.329 0.000 2.474) 2.496 31.728 ( 1.005 0.000 -1.409) 1.731 31.991 ( 2.331 0.000 8.288) 8.609 32.095 ( -1.289 0.000 -2.486) 2.800 32.770 ( 1.899 0.000 1.800) 2.616 32.808 ( -0.842 0.000 -0.643) 1.059 34.009 ( 15.776 0.000 -0.181) 15.777 34.195 ( -6.327 0.000 0.021) 6.327 34.429 ( -5.699 0.000 5.583) 7.978 34.520 ( -2.440 0.000 -14.579) 14.782 34.979 ( 3.263 0.000 5.536) 6.426 35.058 ( 1.533 0.000 -4.575) 4.825 35.477 ( 5.863 0.000 12.166) 13.505 35.712 ( -8.275 0.000 -7.954) 11.477 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -2.628 21.781 -14.645) 26.378 1.330 ( 2.628 21.781 14.645) 26.378 1.537 ( -0.936 6.581 -24.662) 25.542 1.537 ( 0.936 6.581 24.662) 25.542 2.024 ( -5.598 5.800 -22.370) 23.778 2.024 ( 5.598 5.800 22.370) 23.778 2.502 ( -3.363 -6.058 -1.587) 7.109 2.502 ( 3.363 -6.058 1.587) 7.109 2.667 ( -0.544 2.194 -10.023) 10.275 2.667 ( 0.544 2.194 10.023) 10.275 2.827 ( 7.133 -2.628 -6.616) 10.077 2.827 ( -7.133 -2.628 6.616) 10.077 2.934 ( -1.629 -3.090 -7.435) 8.215 2.934 ( 1.629 -3.090 7.435) 8.215 3.160 ( -1.310 -0.211 -5.456) 5.615 3.160 ( 1.310 -0.211 5.456) 5.615 3.289 ( -1.370 0.921 -8.904) 9.056 3.289 ( 1.370 0.921 8.904) 9.056 3.537 ( 2.203 2.714 -2.814) 4.488 3.537 ( -2.203 2.714 2.814) 4.488 3.623 ( -6.601 -1.346 -4.405) 8.049 3.623 ( 6.601 -1.346 4.405) 8.049 3.842 ( 4.308 1.769 -9.217) 10.327 3.842 ( -4.308 1.769 9.217) 10.327 3.941 ( -3.928 1.695 -3.194) 5.339 3.941 ( 3.928 1.695 3.194) 5.339 4.149 ( -0.346 6.647 -6.306) 9.169 4.149 ( 0.346 6.647 6.306) 9.169 4.302 ( -8.234 -1.544 -4.264) 9.400 4.302 ( 8.234 -1.544 4.264) 9.400 4.523 ( 3.950 0.194 -9.074) 9.898 4.523 ( -3.950 0.194 9.074) 9.898 4.732 ( 3.847 0.390 -5.930) 7.079 4.732 ( -3.847 0.390 5.930) 7.079 4.798 ( 0.683 1.356 -6.014) 6.203 4.798 ( -0.683 1.356 6.014) 6.203 5.064 ( -4.847 -3.822 -7.354) 9.601 5.064 ( 4.847 -3.822 7.354) 9.601 5.199 ( -2.295 -1.575 -1.761) 3.294 5.199 ( 2.295 -1.575 1.761) 3.294 5.352 ( -3.971 -2.102 -13.504) 14.232 5.352 ( 3.971 -2.102 13.504) 14.232 5.434 ( -4.531 7.573 -0.660) 8.850 5.434 ( 4.531 7.573 0.660) 8.850 5.620 ( -3.286 -1.006 -1.916) 3.934 5.620 ( 3.286 -1.006 1.916) 3.934 5.696 ( -0.353 -2.557 -5.124) 5.737 5.696 ( 0.353 -2.557 5.124) 5.737 5.765 ( -3.830 2.566 -6.891) 8.291 5.765 ( 3.830 2.566 6.891) 8.291 5.989 ( 2.511 -2.866 -4.059) 5.567 5.989 ( -2.511 -2.866 4.059) 5.567 6.122 ( -1.463 1.418 -3.240) 3.828 6.122 ( 1.463 1.418 3.240) 3.828 6.327 ( -0.767 -1.533 -2.794) 3.279 6.327 ( 0.767 -1.533 2.794) 3.279 6.445 ( -2.412 -1.270 -3.916) 4.771 6.445 ( 2.412 -1.270 3.916) 4.771 6.615 ( 0.203 -5.093 -7.620) 9.168 6.615 ( -0.203 -5.093 7.620) 9.168 6.927 ( 0.529 -0.641 -8.034) 8.076 6.927 ( -0.529 -0.641 8.034) 8.076 7.100 ( -2.721 0.442 -0.910) 2.902 7.100 ( 2.721 0.442 0.910) 2.902 7.441 ( -7.299 -6.329 -8.039) 12.568 7.441 ( 7.299 -6.329 8.039) 12.568 7.639 ( -9.212 -3.265 -5.074) 11.012 7.639 ( 9.212 -3.265 5.074) 11.012 7.931 ( 2.841 -2.847 -1.740) 4.382 7.931 ( -2.841 -2.847 1.740) 4.382 8.175 ( -3.361 5.170 -5.813) 8.474 8.175 ( 3.361 5.170 5.813) 8.474 8.287 ( -2.026 -1.895 -1.584) 3.194 8.287 ( 2.026 -1.895 1.584) 3.194 8.332 ( -3.697 -3.815 -2.263) 5.774 8.332 ( 3.697 -3.815 2.263) 5.774 8.487 ( 6.115 3.499 -3.319) 7.788 8.487 ( -6.115 3.499 3.319) 7.788 8.750 ( -1.914 -3.444 -4.553) 6.021 8.750 ( 1.914 -3.444 4.553) 6.021 8.818 ( 3.851 -2.483 -3.289) 5.640 8.818 ( -3.851 -2.483 3.289) 5.640 9.017 ( -2.505 -0.100 -2.699) 3.684 9.017 ( 2.505 -0.100 2.699) 3.684 9.163 ( -1.270 9.169 -0.089) 9.257 9.163 ( 1.270 9.169 0.089) 9.257 9.236 ( 1.240 5.222 -4.329) 6.896 9.236 ( -1.240 5.222 4.329) 6.896 9.434 ( -0.601 -0.045 -4.897) 4.934 9.434 ( 0.601 -0.045 4.897) 4.934 9.611 ( -4.473 1.685 -2.549) 5.417 9.611 ( 4.473 1.685 2.549) 5.417 9.840 ( 4.628 -2.982 -2.167) 5.917 9.840 ( -4.628 -2.982 2.167) 5.917 10.001 ( -4.434 -3.195 -0.631) 5.502 10.001 ( 4.434 -3.195 0.631) 5.502 10.183 ( -2.889 -2.061 -3.229) 4.798 10.183 ( 2.889 -2.061 3.229) 4.798 10.349 ( 1.526 8.218 -7.358) 11.135 10.349 ( -1.526 8.218 7.358) 11.135 11.235 ( 1.510 -0.195 -2.277) 2.739 11.235 ( -1.510 -0.195 2.277) 2.739 11.339 ( -1.676 -0.081 -1.157) 2.038 11.339 ( 1.676 -0.081 1.157) 2.038 11.478 ( 1.468 -0.266 -3.869) 4.147 11.478 ( -1.468 -0.266 3.869) 4.147 11.673 ( -4.177 -4.356 -1.799) 6.298 11.673 ( 4.177 -4.356 1.799) 6.298 11.855 ( 1.548 2.208 -0.900) 2.843 11.855 ( -1.548 2.208 0.900) 2.843 12.195 ( 0.731 -3.278 -1.263) 3.588 12.195 ( -0.731 -3.278 1.263) 3.588 12.725 ( -3.390 -0.677 -2.260) 4.130 12.725 ( 3.390 -0.677 2.260) 4.130 12.799 ( -1.408 1.569 -1.405) 2.533 12.799 ( 1.408 1.569 1.405) 2.533 12.927 ( 1.075 0.887 -0.798) 1.606 12.927 ( -1.075 0.887 0.798) 1.606 13.134 ( -1.626 -0.684 -2.462) 3.029 13.134 ( 1.626 -0.684 2.462) 3.029 13.204 ( -1.023 -4.266 -1.625) 4.678 13.204 ( 1.023 -4.266 1.625) 4.678 13.363 ( -0.415 -0.815 -3.006) 3.142 13.363 ( 0.415 -0.815 3.006) 3.142 13.729 ( -1.934 0.033 -4.268) 4.686 13.729 ( 1.934 0.033 4.268) 4.686 13.981 ( -2.177 0.952 -3.039) 3.858 13.981 ( 2.177 0.952 3.039) 3.858 15.316 ( -2.664 1.801 -0.907) 3.341 15.316 ( 2.664 1.801 0.907) 3.341 15.433 ( 0.758 -2.354 -1.221) 2.758 15.433 ( -0.758 -2.354 1.221) 2.758 15.689 ( -0.972 4.891 -0.947) 5.076 15.689 ( 0.972 4.891 0.947) 5.076 15.990 ( -0.561 -1.831 -1.387) 2.365 15.990 ( 0.561 -1.831 1.387) 2.365 16.045 ( -0.092 -0.786 -1.590) 1.776 16.045 ( 0.092 -0.786 1.590) 1.776 16.351 ( -3.639 1.991 -0.610) 4.192 16.351 ( 3.639 1.991 0.610) 4.192 16.533 ( -1.597 -0.991 0.084) 1.881 16.533 ( 1.597 -0.991 -0.084) 1.881 16.593 ( -1.004 1.424 -1.206) 2.119 16.593 ( 1.004 1.424 1.206) 2.119 16.893 ( -1.786 0.067 -0.880) 1.992 16.893 ( 1.786 0.067 0.880) 1.992 16.998 ( -0.659 0.915 -0.464) 1.219 16.998 ( 0.659 0.915 0.464) 1.219 17.205 ( 0.236 -0.966 -0.931) 1.362 17.205 ( -0.236 -0.966 0.931) 1.362 17.326 ( 1.843 -0.117 -2.633) 3.215 17.326 ( -1.843 -0.117 2.633) 3.215 17.462 ( 1.001 -1.232 -1.806) 2.404 17.462 ( -1.001 -1.232 1.806) 2.404 17.531 ( 3.476 -0.815 -2.769) 4.518 17.531 ( -3.476 -0.815 2.769) 4.518 17.980 ( 0.411 -0.067 -2.940) 2.969 17.980 ( -0.411 -0.067 2.940) 2.969 18.103 ( 1.154 0.148 -0.633) 1.324 18.103 ( -1.154 0.148 0.633) 1.324 18.399 ( -1.521 -0.231 -2.933) 3.312 18.399 ( 1.521 -0.231 2.933) 3.312 18.576 ( 0.378 -0.247 -2.510) 2.550 18.576 ( -0.378 -0.247 2.510) 2.550 19.064 ( 1.371 2.943 -2.035) 3.831 19.064 ( -1.371 2.943 2.035) 3.831 19.546 ( -4.153 -5.498 -4.879) 8.443 19.546 ( 4.153 -5.498 4.879) 8.443 28.357 ( 1.251 3.193 -2.385) 4.178 28.357 ( -1.251 3.193 2.385) 4.178 28.489 ( 2.828 1.216 -4.654) 5.580 28.489 ( -2.828 1.216 4.654) 5.580 28.886 ( 1.544 -0.173 -2.778) 3.183 28.886 ( -1.544 -0.173 2.778) 3.183 29.190 ( -4.326 -5.615 -1.060) 7.168 29.190 ( 4.326 -5.615 1.060) 7.168 29.415 ( -3.402 6.859 -0.520) 7.674 29.415 ( 3.402 6.859 0.520) 7.674 29.589 ( -1.355 1.175 -3.922) 4.313 29.589 ( 1.355 1.175 3.922) 4.313 29.825 ( 0.985 -0.640 -1.203) 1.681 29.825 ( -0.985 -0.640 1.203) 1.681 29.943 ( -1.615 -1.538 0.363) 2.260 29.943 ( 1.615 -1.538 -0.363) 2.260 30.129 ( -3.237 2.910 -3.007) 5.290 30.129 ( 3.237 2.910 3.007) 5.290 30.239 ( -0.100 0.973 -0.334) 1.034 30.239 ( 0.100 0.973 0.334) 1.034 30.512 ( -1.083 2.458 -0.428) 2.720 30.512 ( 1.083 2.458 0.428) 2.720 30.675 ( -2.220 -4.922 -1.190) 5.529 30.675 ( 2.220 -4.922 1.190) 5.529 30.898 ( 1.425 0.227 -3.445) 3.735 30.898 ( -1.425 0.227 3.445) 3.735 31.175 ( -4.969 -0.595 -1.801) 5.319 31.175 ( 4.969 -0.595 1.801) 5.319 31.279 ( -3.737 -0.272 0.284) 3.758 31.279 ( 3.737 -0.272 -0.284) 3.758 31.484 ( -14.875 -3.037 1.672) 15.274 31.484 ( 14.875 -3.037 -1.672) 15.274 31.571 ( -4.003 -0.346 0.413) 4.039 31.571 ( 4.003 -0.346 -0.413) 4.039 31.822 ( -4.291 2.977 0.430) 5.240 31.822 ( 4.291 2.977 -0.430) 5.240 31.930 ( -3.563 3.691 -2.184) 5.576 31.930 ( 3.563 3.691 2.184) 5.576 32.646 ( -0.605 5.138 -2.978) 5.969 32.646 ( 0.605 5.138 2.978) 5.969 33.336 ( -5.340 15.006 -1.822) 16.031 33.336 ( 5.340 15.006 1.822) 16.031 34.648 ( -2.791 -8.193 0.419) 8.666 34.648 ( 2.791 -8.193 -0.419) 8.666 34.947 ( -5.041 -0.952 -1.427) 5.325 34.947 ( 5.041 -0.952 1.427) 5.325 35.944 ( -7.637 -14.508 -3.642) 16.795 35.944 ( 7.637 -14.508 3.642) 16.795 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 6.120 17.155 -18.492) 25.955 1.191 ( 12.718 7.343 -22.528) 26.892 1.735 ( 5.263 6.419 19.107) 20.832 1.873 ( 8.037 4.548 17.177) 19.501 1.935 ( 23.835 9.777 -22.709) 34.343 2.420 ( 8.339 -0.019 -1.514) 8.475 2.424 ( -0.992 -8.084 4.087) 9.113 2.570 ( 2.847 6.443 -4.795) 8.521 2.600 ( -1.223 1.649 2.869) 3.527 2.734 ( -4.772 1.015 3.693) 6.119 2.774 ( -5.158 3.987 1.107) 6.612 2.835 ( 4.387 -3.112 -7.681) 9.376 2.938 ( 4.409 -1.624 8.903) 10.066 2.981 ( 3.167 -6.891 -0.230) 7.588 3.095 ( -3.864 -4.829 4.775) 7.813 3.160 ( -1.408 3.278 -6.240) 7.188 3.276 ( -1.688 5.036 6.534) 8.420 3.338 ( -11.541 2.725 -3.539) 12.375 3.405 ( 2.540 -1.310 4.697) 5.498 3.540 ( -3.496 0.131 0.003) 3.499 3.601 ( 1.730 1.329 0.769) 2.313 3.743 ( -12.157 5.654 -3.623) 13.889 3.785 ( 6.207 -11.137 5.210) 13.774 3.839 ( -3.025 2.680 0.952) 4.152 3.866 ( 6.404 -1.193 2.128) 6.852 4.032 ( 0.448 -1.459 2.180) 2.661 4.096 ( 1.111 -2.146 -2.044) 3.165 4.141 ( -0.035 2.818 -1.509) 3.197 4.248 ( -0.930 7.637 4.353) 8.840 4.458 ( 3.558 -0.761 -1.712) 4.021 4.475 ( 1.358 3.261 -4.408) 5.649 4.549 ( -5.079 -0.202 6.984) 8.638 4.666 ( -9.745 -0.863 -2.227) 10.034 4.746 ( 2.767 7.844 3.135) 8.889 4.824 ( 2.786 0.480 4.804) 5.574 4.846 ( 1.036 -0.931 0.205) 1.408 4.888 ( -0.982 -1.901 -11.828) 12.020 5.065 ( -3.610 1.820 -2.995) 5.032 5.102 ( -1.083 0.263 -8.396) 8.470 5.266 ( 2.626 -0.755 -0.195) 2.739 5.331 ( 6.241 -0.829 2.238) 6.682 5.371 ( -1.948 3.194 -2.370) 4.429 5.446 ( -0.558 -0.180 -6.195) 6.222 5.536 ( 6.279 -5.860 2.252) 8.879 5.570 ( 1.132 -0.530 -5.741) 5.875 5.603 ( 3.117 2.154 2.827) 4.727 5.649 ( 0.090 -0.675 -0.296) 0.743 5.731 ( -0.515 1.806 2.124) 2.835 5.750 ( 2.089 -1.224 0.432) 2.460 5.825 ( 1.205 -0.169 -2.629) 2.897 5.967 ( -0.972 -2.452 -5.668) 6.251 6.039 ( -0.797 2.371 0.314) 2.521 6.084 ( 2.088 -6.622 6.003) 9.179 6.177 ( 2.894 7.050 -3.948) 8.583 6.248 ( -3.670 -5.580 -2.906) 7.284 6.332 ( -2.163 0.314 0.674) 2.287 6.443 ( 2.834 4.078 4.523) 6.717 6.543 ( -0.066 -0.316 6.298) 6.307 6.590 ( 3.804 -7.328 -3.240) 8.869 6.703 ( -1.705 -3.939 4.072) 5.916 6.830 ( -4.179 -0.130 0.367) 4.198 6.979 ( -4.879 -5.737 -1.564) 7.692 7.079 ( -3.178 0.866 11.701) 12.156 7.141 ( -3.451 -1.239 7.505) 8.353 7.278 ( -1.596 -3.971 -3.273) 5.388 7.427 ( -3.588 3.251 -3.570) 6.016 7.649 ( 3.437 -6.272 4.721) 8.570 7.786 ( 3.892 1.088 2.598) 4.804 7.858 ( -8.928 -1.716 -3.225) 9.647 7.953 ( -1.166 -2.863 -3.268) 4.499 8.044 ( -3.614 7.384 -7.128) 10.881 8.078 ( -1.997 1.906 5.805) 6.428 8.217 ( -5.271 1.494 3.950) 6.754 8.283 ( -0.802 -1.067 -0.664) 1.491 8.381 ( 2.221 -3.897 1.814) 4.839 8.429 ( -0.328 -3.366 -3.177) 4.640 8.473 ( 0.175 -3.378 4.447) 5.587 8.627 ( 10.910 3.390 -2.542) 11.704 8.651 ( -0.474 -1.704 -5.229) 5.520 8.765 ( -3.958 0.635 1.340) 4.227 8.831 ( 0.799 -5.600 0.640) 5.692 8.861 ( 3.205 -0.513 0.333) 3.263 8.936 ( -0.456 -5.158 -5.119) 7.282 9.081 ( 3.773 -0.800 0.262) 3.866 9.128 ( -3.142 4.833 -0.111) 5.765 9.161 ( -1.025 12.178 2.043) 12.390 9.206 ( 2.727 2.203 -5.482) 6.507 9.276 ( 1.815 8.099 -0.191) 8.302 9.376 ( -1.442 -1.447 -1.494) 2.531 9.459 ( -4.505 5.086 -1.434) 6.944 9.547 ( -0.688 -3.424 4.360) 5.586 9.641 ( -2.596 -1.911 -1.916) 3.750 9.786 ( -3.066 1.624 0.464) 3.501 9.812 ( -2.287 1.187 -1.398) 2.932 9.940 ( -2.205 -2.618 0.724) 3.499 10.036 ( -3.379 -5.288 1.552) 6.465 10.089 ( -0.183 -0.686 -1.399) 1.569 10.232 ( -2.908 2.667 -3.053) 4.989 10.292 ( 0.156 4.041 2.349) 4.677 10.393 ( -0.177 4.931 0.813) 5.001 11.228 ( 0.086 -0.898 0.585) 1.075 11.270 ( 3.142 0.181 -1.106) 3.335 11.304 ( -0.379 0.323 -0.295) 0.579 11.346 ( -1.430 -0.608 0.589) 1.661 11.466 ( -0.199 -1.227 -2.183) 2.512 11.531 ( 1.191 0.722 4.171) 4.398 11.618 ( -1.205 0.008 1.147) 1.664 11.766 ( 1.339 -9.809 2.832) 10.297 11.826 ( -2.304 2.907 0.225) 3.715 11.856 ( -0.276 2.008 -0.540) 2.097 12.198 ( 0.262 -4.222 1.733) 4.572 12.215 ( 0.295 -3.409 0.514) 3.460 12.664 ( -1.838 -1.251 -0.767) 2.352 12.759 ( -0.744 0.085 -0.893) 1.166 12.834 ( 3.776 -1.070 3.002) 4.941 12.844 ( 0.143 0.828 2.638) 2.769 12.921 ( -0.581 -0.641 0.487) 0.993 12.964 ( 2.281 3.008 1.968) 4.257 13.067 ( -1.428 0.795 -3.944) 4.269 13.171 ( 1.658 -1.656 0.948) 2.528 13.204 ( 0.955 -3.096 0.729) 3.321 13.269 ( 2.784 -4.959 1.904) 5.998 13.321 ( -1.133 -0.255 -2.234) 2.518 13.418 ( 2.201 -0.949 2.443) 3.423 13.673 ( 0.415 0.092 -2.976) 3.006 13.815 ( 1.843 -2.218 1.709) 3.353 13.916 ( -0.939 1.846 -0.841) 2.236 14.035 ( 0.607 1.265 1.602) 2.129 15.275 ( -1.527 0.264 0.138) 1.556 15.372 ( 1.637 2.146 1.044) 2.894 15.429 ( -0.211 -2.317 -0.042) 2.327 15.444 ( 1.261 -2.187 -0.569) 2.588 15.679 ( 1.038 3.220 -0.315) 3.398 15.735 ( 2.427 5.315 1.618) 6.062 15.944 ( -0.747 -1.094 -3.702) 3.932 15.986 ( -1.151 -1.577 -0.719) 2.081 16.015 ( -1.387 -1.341 -1.802) 2.640 16.056 ( -0.572 0.332 0.627) 0.912 16.332 ( 0.491 -0.669 1.617) 1.817 16.417 ( 0.503 1.670 0.609) 1.847 16.491 ( -1.934 -2.231 0.489) 2.993 16.523 ( 1.656 -0.022 -3.287) 3.681 16.596 ( 0.003 1.335 0.165) 1.345 16.630 ( 0.177 2.758 2.369) 3.640 16.849 ( -2.023 0.152 -0.296) 2.050 16.930 ( 0.279 1.637 1.680) 2.362 16.978 ( -0.730 0.825 -0.683) 1.296 17.006 ( -0.283 -0.006 0.151) 0.321 17.201 ( -0.085 -1.083 -0.427) 1.167 17.222 ( 1.643 -0.759 0.982) 2.059 17.309 ( -0.696 -1.068 -0.165) 1.285 17.336 ( 1.168 0.672 -1.490) 2.009 17.452 ( -0.579 -1.228 -0.082) 1.360 17.481 ( 0.871 -2.394 1.086) 2.769 17.523 ( -0.602 0.482 2.655) 2.765 17.582 ( 4.716 -1.570 -1.229) 5.120 17.979 ( 1.475 -1.149 0.454) 1.924 18.019 ( -0.302 0.603 2.736) 2.818 18.077 ( -0.849 -0.175 -1.149) 1.439 18.115 ( 1.825 -0.180 -2.179) 2.848 18.323 ( -2.381 1.783 -3.208) 4.375 18.409 ( -3.201 -2.753 -0.931) 4.324 18.525 ( -0.625 1.264 -0.942) 1.696 18.558 ( -1.270 1.873 -3.029) 3.781 19.065 ( 0.079 2.206 0.882) 2.377 19.086 ( 1.539 3.265 0.054) 3.610 19.398 ( -3.417 -2.344 -5.425) 6.827 19.606 ( -1.581 -4.963 1.842) 5.525 28.342 ( -0.038 2.384 -1.557) 2.847 28.356 ( -1.099 2.387 0.590) 2.694 28.487 ( 2.205 1.041 -2.893) 3.783 28.500 ( -2.597 1.211 5.565) 6.259 28.875 ( 1.018 -0.939 -2.621) 2.964 28.914 ( 1.881 0.857 0.452) 2.116 29.116 ( -3.248 -3.219 -0.155) 4.576 29.273 ( 3.346 -6.329 1.106) 7.244 29.372 ( -1.669 5.651 1.461) 6.071 29.456 ( -0.694 2.530 -0.165) 2.629 29.549 ( 1.588 0.535 -2.371) 2.903 29.662 ( 1.539 2.916 3.019) 4.470 29.826 ( -0.590 1.412 1.843) 2.396 29.840 ( 1.110 -0.878 -0.913) 1.684 29.910 ( -2.552 -1.104 0.369) 2.805 29.940 ( -0.771 -1.629 -2.101) 2.768 30.079 ( 1.077 3.152 -0.724) 3.408 30.190 ( -0.269 1.705 1.021) 2.005 30.243 ( -0.180 1.412 -0.601) 1.545 30.250 ( 2.304 1.429 0.651) 2.789 30.454 ( -4.894 -0.243 -1.762) 5.208 30.525 ( -0.197 4.601 0.463) 4.628 30.589 ( -2.366 -4.880 -6.348) 8.350 30.749 ( 6.281 -1.604 -0.203) 6.486 30.831 ( -1.370 1.800 1.684) 2.819 30.954 ( 2.357 0.947 -1.675) 3.042 31.109 ( -2.665 4.710 0.717) 5.459 31.133 ( -5.906 -3.588 -0.511) 6.929 31.277 ( -1.564 -0.073 2.662) 3.089 31.316 ( -1.628 1.358 3.143) 3.792 31.332 ( -4.739 0.008 3.814) 6.083 31.515 ( -1.405 -2.694 1.413) 3.351 31.621 ( 3.114 2.017 0.055) 3.711 31.694 ( -0.664 2.404 -0.072) 2.495 31.763 ( -2.582 -3.161 0.962) 4.193 31.822 ( -1.488 -0.428 -1.350) 2.054 31.901 ( 0.963 6.753 1.545) 6.994 32.003 ( 2.935 3.794 2.471) 5.396 32.648 ( 3.270 2.416 -0.111) 4.067 32.740 ( 3.161 1.341 4.218) 5.439 33.397 ( 12.530 7.490 2.005) 14.735 33.632 ( 21.339 14.145 8.146) 26.866 34.638 ( -0.634 -7.526 1.410) 7.683 34.677 ( 0.099 -4.670 -0.468) 4.694 34.856 ( -2.046 -7.673 -0.938) 7.996 35.018 ( 1.113 -1.726 -0.157) 2.059 35.593 ( -17.994 -11.249 -15.549) 26.308 35.986 ( -2.536 -10.890 -2.072) 11.372 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 24.445 3.243 -7.794) 25.861 1.354 ( 28.816 2.011 -7.196) 29.769 2.028 ( 8.460 -8.707 11.507) 16.728 2.101 ( 7.537 -1.436 -2.896) 8.201 2.164 ( 17.287 9.459 -3.075) 19.944 2.334 ( -5.489 4.076 -6.411) 9.373 2.387 ( -10.685 3.591 -7.632) 13.613 2.527 ( -1.752 4.037 -10.068) 10.988 2.594 ( -0.779 -3.112 3.201) 4.532 2.657 ( 1.725 1.481 1.448) 2.696 2.778 ( -2.005 -0.198 -3.439) 3.985 2.792 ( 6.028 3.611 2.623) 7.500 2.947 ( -7.996 -2.079 -3.495) 8.971 3.020 ( -2.921 -1.408 0.882) 3.361 3.041 ( -0.819 6.874 -1.536) 7.091 3.122 ( -3.252 -5.616 5.444) 8.470 3.255 ( 0.169 2.865 -3.631) 4.628 3.319 ( -5.270 -1.631 5.737) 7.959 3.498 ( 7.476 -1.536 1.548) 7.788 3.547 ( -4.092 -1.428 3.990) 5.891 3.618 ( -1.403 -0.523 3.433) 3.745 3.624 ( 5.821 0.073 7.369) 9.391 3.801 ( 1.023 1.233 -0.581) 1.704 3.912 ( -3.157 -8.836 0.896) 9.426 4.008 ( 0.423 -3.801 3.336) 5.075 4.015 ( -3.262 0.154 2.129) 3.898 4.055 ( -0.623 -1.774 -3.264) 3.767 4.186 ( -1.976 1.872 -1.653) 3.184 4.278 ( 0.640 2.385 3.884) 4.602 4.427 ( -5.103 1.791 1.203) 5.541 4.433 ( 0.089 -0.508 -0.330) 0.612 4.513 ( -4.040 0.516 1.600) 4.376 4.544 ( 8.402 7.197 -5.755) 12.471 4.707 ( -7.586 0.914 0.928) 7.697 4.804 ( 2.810 9.210 -3.405) 10.213 4.880 ( -3.422 4.335 7.836) 9.587 4.930 ( 6.260 -3.002 -5.528) 8.874 5.035 ( -2.892 3.341 -1.567) 4.689 5.095 ( 10.216 0.991 -3.276) 10.774 5.222 ( 1.591 1.390 -3.875) 4.414 5.299 ( 1.029 -4.514 -7.170) 8.534 5.395 ( -2.895 -7.168 0.783) 7.770 5.440 ( 3.218 -1.383 -1.455) 3.793 5.561 ( 0.787 -1.234 1.547) 2.130 5.616 ( -1.903 -4.056 2.308) 5.040 5.648 ( 0.442 -0.048 -4.091) 4.115 5.697 ( 5.287 -0.999 -0.975) 5.469 5.760 ( -0.219 2.682 2.425) 3.622 5.789 ( 4.035 -1.381 2.993) 5.210 5.852 ( 3.405 2.632 -1.996) 4.744 5.906 ( 1.751 1.846 -3.018) 3.947 6.037 ( -4.131 -2.174 1.305) 4.847 6.089 ( -0.080 0.117 -1.636) 1.642 6.155 ( 2.231 2.651 -4.904) 6.005 6.200 ( -3.296 -2.500 3.100) 5.170 6.261 ( -2.286 1.977 -2.785) 4.110 6.507 ( -5.196 -6.983 -1.907) 8.911 6.543 ( -0.579 4.930 2.542) 5.577 6.647 ( 4.393 3.462 -3.715) 6.714 6.681 ( 1.457 -1.529 -1.821) 2.789 6.824 ( -1.063 -0.130 2.598) 2.810 6.887 ( -4.698 -0.125 4.564) 6.552 7.102 ( -4.643 -3.728 4.151) 7.258 7.186 ( -1.143 -1.996 12.002) 12.221 7.269 ( -3.051 -0.423 2.101) 3.728 7.447 ( -0.874 3.754 4.727) 6.099 7.633 ( -5.728 2.659 0.273) 6.321 7.721 ( -2.088 0.893 3.474) 4.151 7.763 ( -6.592 3.488 -1.531) 7.613 7.940 ( 1.107 4.211 1.076) 4.485 7.988 ( 3.669 -4.911 -2.555) 6.641 8.115 ( -2.924 4.445 0.348) 5.332 8.211 ( -3.108 -3.079 1.460) 4.612 8.235 ( 0.026 -1.998 0.685) 2.112 8.325 ( -3.906 -2.969 -3.562) 6.063 8.449 ( 2.677 -0.107 2.080) 3.391 8.537 ( 2.674 -0.305 -0.110) 2.694 8.651 ( 3.256 -2.936 3.191) 5.422 8.681 ( -1.031 -0.245 -2.522) 2.736 8.726 ( 0.413 0.535 -1.063) 1.259 8.827 ( 2.336 2.594 -4.983) 6.084 8.873 ( -1.446 -3.605 -2.129) 4.429 8.928 ( 3.357 -1.586 -3.084) 4.826 9.081 ( 2.442 -1.663 -1.126) 3.162 9.117 ( -3.055 0.776 -3.173) 4.472 9.178 ( -0.352 0.434 4.834) 4.867 9.226 ( 1.730 9.174 -2.421) 9.644 9.295 ( 1.318 4.141 0.212) 4.351 9.331 ( -0.627 0.425 -1.422) 1.611 9.376 ( -0.427 0.958 -2.031) 2.286 9.534 ( -6.442 -1.029 2.795) 7.097 9.585 ( -3.011 -0.900 1.202) 3.364 9.737 ( 2.405 -4.071 -1.705) 5.027 9.804 ( -1.453 7.155 1.221) 7.402 9.945 ( 0.443 -3.280 2.981) 4.455 10.002 ( -1.986 -4.481 1.895) 5.255 10.083 ( -3.461 -0.946 2.548) 4.401 10.147 ( -3.069 -1.001 -1.667) 3.633 10.292 ( -1.779 3.925 1.020) 4.428 10.379 ( 0.575 1.096 -3.942) 4.132 11.248 ( 0.777 -2.005 1.437) 2.586 11.292 ( 1.880 -1.303 -2.055) 3.074 11.317 ( -0.122 0.761 0.939) 1.215 11.346 ( 1.454 0.265 1.035) 1.804 11.415 ( -2.756 -0.738 -1.165) 3.082 11.582 ( -0.771 0.452 2.075) 2.259 11.641 ( 1.118 1.397 1.286) 2.203 11.737 ( -2.818 -5.958 -2.961) 7.226 11.815 ( -0.119 -0.017 1.044) 1.051 11.836 ( -0.888 2.810 -0.768) 3.046 12.214 ( 0.946 -3.518 0.517) 3.680 12.247 ( 0.580 -5.167 2.651) 5.836 12.644 ( -0.204 -0.267 0.458) 0.568 12.750 ( 0.451 -1.003 0.276) 1.134 12.823 ( -2.080 0.117 -1.237) 2.423 12.913 ( -1.031 -0.163 1.348) 1.704 12.938 ( -0.139 0.529 2.511) 2.570 12.978 ( -1.779 1.585 0.050) 2.383 13.020 ( 2.121 0.851 -1.641) 2.813 13.195 ( 0.622 -2.670 -1.555) 3.152 13.261 ( 1.256 -1.745 2.165) 3.051 13.287 ( 1.367 0.133 0.600) 1.499 13.313 ( 0.876 -5.398 -0.576) 5.499 13.470 ( 1.594 -1.044 -0.380) 1.943 13.680 ( 2.507 0.346 0.021) 2.530 13.813 ( -0.213 -2.661 0.290) 2.686 13.915 ( -0.487 1.278 -2.131) 2.532 14.033 ( -1.596 0.934 -0.762) 2.000 15.271 ( 0.271 -1.288 1.149) 1.747 15.383 ( -0.258 1.524 -0.594) 1.656 15.422 ( -0.683 -1.556 0.165) 1.707 15.455 ( 0.787 -3.047 -0.944) 3.285 15.714 ( 2.501 1.663 0.650) 3.073 15.790 ( 1.539 2.756 1.099) 3.342 15.894 ( 0.002 -1.070 -3.308) 3.477 15.945 ( -0.802 -1.336 -3.705) 4.019 15.972 ( -1.539 0.257 0.411) 1.614 16.048 ( -1.235 1.938 0.640) 2.385 16.366 ( 1.161 -1.355 -0.118) 1.788 16.396 ( -2.469 -1.677 0.910) 3.121 16.450 ( -1.639 -2.297 0.149) 2.826 16.550 ( 1.320 -1.186 -1.505) 2.327 16.564 ( 0.243 3.950 -2.789) 4.842 16.642 ( -1.559 3.719 1.562) 4.324 16.843 ( 0.528 1.470 1.130) 1.928 16.932 ( -1.189 0.136 0.103) 1.201 16.958 ( -0.553 0.126 -0.894) 1.059 16.990 ( -1.627 1.704 0.083) 2.358 17.199 ( 0.313 -1.928 0.274) 1.972 17.267 ( 1.654 0.301 -0.679) 1.813 17.304 ( 0.084 -0.592 0.672) 0.900 17.334 ( 1.152 0.900 -1.833) 2.345 17.446 ( -0.549 -1.499 1.055) 1.914 17.513 ( 0.262 -3.525 1.855) 3.992 17.555 ( 0.189 0.448 1.270) 1.360 17.618 ( 0.964 -0.778 -1.325) 1.813 17.994 ( 0.275 0.023 0.514) 0.583 18.034 ( 1.832 -2.682 1.767) 3.698 18.088 ( 0.973 -1.540 1.194) 2.178 18.125 ( 2.187 0.235 -2.104) 3.043 18.305 ( 1.016 2.140 2.241) 3.261 18.349 ( -0.737 -0.502 -1.021) 1.356 18.482 ( -1.181 4.536 -3.237) 5.696 18.539 ( 0.072 2.084 -0.072) 2.087 19.083 ( 0.477 1.730 1.192) 2.154 19.109 ( 1.466 2.969 -0.619) 3.368 19.349 ( 1.300 -1.249 -1.122) 2.124 19.555 ( -4.892 -3.614 -0.180) 6.085 28.325 ( 0.070 1.049 -1.313) 1.682 28.339 ( -1.119 1.155 -0.015) 1.609 28.499 ( 1.939 1.011 -0.363) 2.217 28.541 ( -0.394 0.655 5.501) 5.554 28.843 ( -0.272 -0.401 -3.573) 3.606 28.952 ( 1.225 1.191 0.735) 1.860 29.075 ( -1.598 -0.959 -0.606) 1.959 29.238 ( -5.547 -2.106 -5.986) 8.429 29.400 ( 2.816 2.714 2.162) 4.469 29.447 ( 2.200 2.047 -0.529) 3.051 29.579 ( 3.072 0.591 0.311) 3.144 29.694 ( -0.761 0.913 1.868) 2.214 29.802 ( -2.179 1.994 -2.330) 3.762 29.824 ( -1.822 -1.796 -0.265) 2.572 29.886 ( -0.575 -0.317 -0.314) 0.728 29.904 ( -0.481 -0.258 -0.432) 0.696 30.133 ( 3.207 1.785 -0.321) 3.685 30.202 ( -0.649 0.395 1.632) 1.800 30.224 ( 1.146 3.921 0.750) 4.154 30.275 ( 0.341 1.503 -0.807) 1.740 30.339 ( -1.800 2.523 -3.721) 4.842 30.511 ( 1.004 1.709 -1.954) 2.783 30.578 ( 0.905 1.701 2.185) 2.914 30.830 ( 2.049 0.598 -0.451) 2.181 30.876 ( 6.400 -1.888 -1.966) 6.956 30.975 ( 1.714 1.191 0.721) 2.208 31.022 ( -5.430 -3.454 0.268) 6.441 31.145 ( -1.847 3.446 3.340) 5.142 31.175 ( -5.990 1.951 -1.815) 6.556 31.320 ( -1.023 5.687 1.448) 5.957 31.329 ( -1.845 1.603 3.383) 4.174 31.509 ( -2.465 -1.395 0.821) 2.949 31.635 ( -3.785 1.198 0.201) 3.975 31.675 ( 2.297 1.322 1.166) 2.896 31.737 ( -2.386 2.723 0.340) 3.636 31.780 ( -1.291 0.775 1.209) 1.931 31.928 ( -0.746 5.466 3.614) 6.595 32.084 ( 1.418 0.535 3.614) 3.919 32.712 ( 3.016 0.544 1.262) 3.314 32.805 ( 0.318 -0.453 1.820) 1.902 33.705 ( 19.071 1.873 1.139) 19.196 34.080 ( 10.203 0.179 11.980) 15.737 34.526 ( -9.433 -1.452 -1.030) 9.600 34.726 ( -1.812 -7.915 -6.849) 10.622 34.794 ( -2.757 -12.112 -8.205) 14.887 34.915 ( 0.966 -10.335 -1.153) 10.444 35.319 ( 2.084 2.718 0.032) 3.425 35.858 ( -7.357 -7.528 -4.197) 11.332 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 20.117 0.017 -0.931) 20.139 1.816 ( 14.364 -0.492 -0.277) 14.375 2.015 ( -4.311 5.932 -5.103) 8.934 2.113 ( -4.014 -2.740 -2.528) 5.478 2.151 ( 0.547 -3.802 -7.547) 8.468 2.237 ( 0.032 3.618 -0.686) 3.682 2.366 ( 0.389 2.376 3.953) 4.629 2.444 ( 3.883 -3.705 -2.837) 6.071 2.546 ( -9.557 -0.918 -0.472) 9.612 2.598 ( -7.508 -7.565 4.212) 11.461 2.793 ( 6.325 2.600 -2.738) 7.366 2.836 ( -0.675 -2.629 0.950) 2.876 2.908 ( 0.830 -1.227 3.314) 3.630 3.012 ( -4.990 2.555 -3.243) 6.476 3.095 ( 11.950 3.189 -1.853) 12.506 3.164 ( 9.836 0.910 10.678) 14.547 3.309 ( 9.799 2.236 -6.550) 11.997 3.334 ( -6.199 -0.564 4.497) 7.679 3.424 ( -9.168 -2.135 3.239) 9.955 3.570 ( -10.123 -2.669 -11.876) 15.832 3.632 ( -1.955 -2.667 5.201) 6.163 3.707 ( -3.352 5.868 -2.517) 7.211 3.773 ( 1.330 3.582 3.663) 5.293 3.853 ( 0.285 0.460 1.342) 1.447 3.932 ( 2.474 -5.728 0.740) 6.283 3.995 ( -2.438 1.779 8.706) 9.215 4.017 ( -1.392 -4.643 -6.913) 8.443 4.161 ( 1.119 -2.874 -5.140) 5.994 4.325 ( 0.682 2.116 1.635) 2.760 4.391 ( -0.696 0.039 0.227) 0.733 4.458 ( -0.040 -7.407 -3.557) 8.217 4.515 ( -5.701 1.205 3.295) 6.694 4.626 ( 2.701 0.283 6.074) 6.653 4.697 ( 6.636 7.360 -0.466) 9.920 4.797 ( -0.075 7.838 1.185) 7.927 4.890 ( -5.789 2.974 2.857) 7.108 4.937 ( 7.363 7.175 -6.230) 12.021 5.015 ( -3.369 5.307 1.856) 6.554 5.179 ( 5.158 -3.236 -3.184) 6.872 5.241 ( -0.760 -7.681 -0.973) 7.780 5.310 ( 5.566 -2.113 1.189) 6.071 5.352 ( -2.099 -6.753 2.614) 7.540 5.441 ( 1.683 -5.669 -3.815) 7.037 5.534 ( -4.850 -3.889 -6.267) 8.828 5.577 ( -1.628 -1.929 4.204) 4.904 5.634 ( 0.854 0.983 -2.480) 2.801 5.704 ( 0.400 -0.902 -0.865) 1.313 5.753 ( 0.143 -3.869 -2.029) 4.371 5.872 ( 1.567 4.367 0.063) 4.640 5.900 ( -0.844 3.552 -0.264) 3.660 5.963 ( 5.282 1.159 6.664) 8.582 6.006 ( -1.363 3.591 4.759) 6.115 6.080 ( 0.155 -0.392 -3.895) 3.918 6.085 ( -2.326 2.552 -4.752) 5.874 6.216 ( -1.450 1.583 6.144) 6.509 6.252 ( 4.220 3.017 -6.000) 7.932 6.399 ( -0.762 -3.490 -2.389) 4.297 6.471 ( -7.478 1.752 -0.033) 7.681 6.680 ( 3.749 4.952 -2.400) 6.659 6.689 ( 0.631 2.746 0.024) 2.818 6.832 ( 1.074 0.763 0.084) 1.320 6.878 ( -3.583 1.081 1.771) 4.141 7.113 ( 1.512 0.769 2.012) 2.631 7.192 ( -5.499 2.146 -0.549) 5.928 7.326 ( 2.423 -1.827 8.427) 8.956 7.427 ( -3.650 -0.136 0.856) 3.752 7.600 ( -2.564 5.921 3.690) 7.433 7.642 ( -3.412 4.079 -3.029) 6.120 7.846 ( 7.328 -1.947 7.502) 10.667 7.962 ( 4.737 3.229 -2.641) 6.312 8.028 ( -5.299 1.126 0.423) 5.434 8.068 ( -0.135 -2.418 2.026) 3.157 8.084 ( -2.951 -1.443 -6.102) 6.930 8.189 ( -5.709 -4.023 -2.639) 7.466 8.342 ( 1.876 0.803 6.012) 6.349 8.438 ( -0.748 0.928 -5.727) 5.850 8.622 ( 2.221 2.568 5.157) 6.174 8.670 ( 0.833 -1.809 0.817) 2.152 8.688 ( 1.992 2.303 -0.187) 3.051 8.762 ( -1.606 2.869 -5.883) 6.739 8.814 ( -1.741 -5.321 5.943) 8.165 8.852 ( 5.493 -0.474 -2.436) 6.027 8.892 ( 0.359 4.823 -2.738) 5.557 9.033 ( -4.993 -1.591 -3.156) 6.117 9.133 ( 3.616 -3.576 -0.514) 5.112 9.181 ( -2.198 0.268 -0.536) 2.278 9.199 ( 2.625 2.241 -1.565) 3.790 9.253 ( -4.234 -0.254 0.127) 4.244 9.358 ( 3.401 2.777 -1.754) 4.728 9.390 ( -2.029 2.314 2.520) 3.978 9.497 ( -0.088 -0.591 2.355) 2.429 9.543 ( -2.454 -3.709 -0.517) 4.477 9.806 ( 3.722 -0.865 1.380) 4.063 9.818 ( 1.899 1.730 1.632) 3.043 9.943 ( -0.798 -2.507 -1.795) 3.185 9.993 ( -7.243 -0.947 0.318) 7.312 10.053 ( 0.574 -6.032 6.410) 8.820 10.111 ( -0.023 -4.872 -2.434) 5.446 10.288 ( -0.547 2.839 2.167) 3.613 10.327 ( 0.151 1.057 -5.141) 5.250 11.278 ( -0.457 -2.696 2.700) 3.843 11.293 ( 1.348 -1.791 -2.575) 3.414 11.330 ( 0.890 0.522 0.931) 1.390 11.363 ( -1.928 0.143 -0.424) 1.979 11.404 ( 3.411 -0.774 1.407) 3.770 11.508 ( -5.466 -2.541 -2.850) 6.667 11.674 ( 0.426 0.999 2.032) 2.304 11.695 ( 0.615 0.437 -2.084) 2.216 11.822 ( 1.011 1.332 -0.979) 1.937 11.827 ( -0.753 2.299 0.982) 2.611 12.248 ( 1.677 -4.309 0.690) 4.675 12.269 ( -0.738 -4.959 1.017) 5.116 12.672 ( 2.071 0.872 1.802) 2.881 12.749 ( -3.427 1.130 -2.440) 4.356 12.789 ( 2.773 -0.469 1.223) 3.066 12.865 ( -4.665 1.065 -0.341) 4.798 12.930 ( 0.165 -0.394 0.532) 0.682 12.950 ( -0.133 0.747 -2.225) 2.351 13.100 ( 3.154 0.085 3.272) 4.546 13.168 ( -1.267 -1.035 -2.070) 2.638 13.268 ( 0.268 -2.554 0.933) 2.733 13.296 ( -0.023 -4.034 -2.720) 4.865 13.373 ( 2.689 -1.472 3.880) 4.945 13.450 ( -1.197 -1.214 -3.144) 3.576 13.749 ( 2.902 0.876 3.299) 4.480 13.836 ( -1.425 0.189 -2.764) 3.115 13.865 ( 2.086 -0.187 1.309) 2.470 13.962 ( -3.759 -0.289 -3.105) 4.884 15.308 ( 1.708 -1.674 1.957) 3.090 15.357 ( -1.188 -0.126 -1.717) 2.092 15.422 ( 0.021 -2.413 1.088) 2.647 15.443 ( -0.499 -3.450 -1.298) 3.720 15.767 ( 2.063 0.671 1.319) 2.538 15.802 ( -0.410 0.575 -0.695) 0.991 15.875 ( 1.067 -0.971 -1.510) 2.088 15.893 ( -1.322 -0.941 -1.270) 2.060 15.980 ( 1.440 2.879 0.648) 3.284 16.021 ( -2.264 3.712 -0.255) 4.355 16.360 ( 0.745 -3.116 -1.660) 3.609 16.369 ( -1.835 -3.716 0.808) 4.222 16.462 ( -0.375 -0.437 3.317) 3.366 16.501 ( -0.479 0.694 -3.401) 3.504 16.589 ( 2.569 3.666 -0.860) 4.558 16.622 ( -2.174 4.196 0.609) 4.764 16.872 ( 0.711 0.486 1.779) 1.976 16.905 ( -0.861 -0.833 -1.421) 1.859 16.946 ( 0.439 0.581 -0.713) 1.019 16.960 ( -1.797 2.248 0.222) 2.887 17.218 ( 0.855 -1.467 1.228) 2.095 17.251 ( -0.439 -0.104 -2.234) 2.279 17.323 ( 0.371 0.967 1.101) 1.512 17.335 ( 0.887 1.574 -1.479) 2.335 17.456 ( -0.519 -1.077 2.205) 2.508 17.488 ( -0.726 -0.781 -3.105) 3.283 17.586 ( 0.974 -1.803 2.744) 3.425 17.620 ( 0.013 -1.075 -1.023) 1.484 18.051 ( 0.855 -1.709 4.892) 5.252 18.076 ( 1.841 -4.068 -0.173) 4.469 18.103 ( -0.184 -3.411 -0.014) 3.416 18.118 ( -0.257 -1.085 -2.182) 2.451 18.341 ( 1.478 1.362 0.653) 2.113 18.364 ( -0.505 3.040 1.089) 3.268 18.466 ( 1.948 5.019 0.396) 5.398 18.518 ( -1.768 3.485 -1.205) 4.090 19.105 ( 0.089 1.802 1.590) 2.405 19.117 ( 0.831 2.313 -1.452) 2.855 19.384 ( 2.791 -2.084 0.781) 3.570 19.461 ( -4.726 -2.720 -1.218) 5.587 28.317 ( 0.624 0.592 -0.956) 1.286 28.323 ( -0.969 0.567 0.413) 1.197 28.547 ( 3.701 0.708 -0.122) 3.770 28.586 ( -2.194 -0.270 3.790) 4.387 28.821 ( 1.466 0.954 0.705) 1.886 28.918 ( -3.605 -0.263 -4.862) 6.058 29.054 ( 0.441 1.673 0.694) 1.865 29.099 ( -2.185 2.809 -3.391) 4.915 29.469 ( 2.070 1.702 1.245) 2.955 29.483 ( 1.337 1.638 -0.054) 2.116 29.641 ( 2.785 -0.275 0.755) 2.899 29.684 ( -2.386 -0.376 0.797) 2.544 29.759 ( 0.956 -0.327 -1.658) 1.942 29.785 ( -2.366 -0.135 0.059) 2.370 29.883 ( 0.708 -0.200 -0.685) 1.005 29.892 ( -0.954 -0.134 0.281) 1.004 30.148 ( 0.740 0.137 -0.576) 0.948 30.168 ( -1.426 0.384 -1.007) 1.787 30.262 ( 0.339 2.568 -0.253) 2.602 30.275 ( -1.283 1.792 0.208) 2.214 30.391 ( 6.712 5.478 4.200) 9.628 30.499 ( -0.312 1.886 -3.170) 3.702 30.631 ( 2.795 0.878 3.139) 4.294 30.776 ( -7.664 1.915 -3.460) 8.624 30.928 ( 2.192 -2.596 -3.867) 5.148 30.933 ( -1.193 -1.833 1.813) 2.840 31.036 ( 2.149 0.718 3.224) 3.941 31.094 ( -0.491 0.499 -2.873) 2.957 31.181 ( 3.082 2.240 1.170) 3.986 31.279 ( -7.631 1.188 3.072) 8.311 31.383 ( 5.435 8.558 -0.205) 10.140 31.459 ( -3.669 3.917 0.586) 5.399 31.588 ( 0.061 -0.930 -1.201) 1.521 31.635 ( -5.333 0.862 -0.643) 5.440 31.748 ( 2.831 3.683 1.464) 4.871 31.797 ( -1.069 4.795 -0.183) 4.916 32.004 ( 1.892 1.663 7.542) 7.952 32.100 ( -1.225 0.497 -2.149) 2.523 32.771 ( 1.823 -0.015 1.685) 2.483 32.807 ( -0.838 -0.266 -0.450) 0.987 34.006 ( 14.736 0.023 -0.296) 14.739 34.168 ( -5.121 -2.465 0.424) 5.699 34.378 ( -4.747 -5.317 0.990) 7.196 34.452 ( -4.161 -6.330 -9.823) 12.405 34.878 ( 4.431 -9.119 3.028) 10.581 34.945 ( -0.089 -10.513 -0.740) 10.540 35.463 ( 5.718 -1.373 8.434) 10.282 35.665 ( -7.559 -4.736 -6.679) 11.143 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -6.775 6.487 -17.131) 19.531 1.576 ( 6.775 6.487 17.131) 19.531 1.840 ( 1.265 21.185 -17.075) 27.239 1.840 ( -1.265 21.185 17.075) 27.239 2.162 ( -12.147 -2.425 -2.028) 12.552 2.162 ( 12.147 -2.425 2.028) 12.552 2.314 ( -11.659 -2.761 -4.413) 12.768 2.314 ( 11.659 -2.761 4.413) 12.768 2.636 ( 8.155 -7.088 -7.146) 12.954 2.636 ( -8.155 -7.088 7.146) 12.954 2.801 ( -0.432 1.898 -7.881) 8.118 2.801 ( 0.432 1.898 7.881) 8.118 3.001 ( 1.583 5.526 -6.238) 8.483 3.001 ( -1.583 5.526 6.238) 8.483 3.157 ( -5.149 3.084 -4.093) 7.265 3.157 ( 5.149 3.084 4.093) 7.265 3.359 ( -2.552 5.227 -2.635) 6.385 3.359 ( 2.552 5.227 2.635) 6.385 3.513 ( 1.639 -5.215 -4.008) 6.779 3.513 ( -1.639 -5.215 4.008) 6.779 3.603 ( -5.683 -0.980 -10.099) 11.629 3.603 ( 5.683 -0.980 10.099) 11.629 3.857 ( -6.143 -0.402 -3.335) 7.002 3.857 ( 6.143 -0.402 3.335) 7.002 4.001 ( -5.648 0.655 -2.126) 6.070 4.001 ( 5.648 0.655 2.126) 6.070 4.146 ( -3.978 1.777 -1.531) 4.618 4.146 ( 3.978 1.777 1.531) 4.618 4.390 ( -6.308 3.981 -4.916) 8.933 4.390 ( 6.308 3.981 4.916) 8.933 4.518 ( -2.503 2.060 -7.204) 7.900 4.518 ( 2.503 2.060 7.204) 7.900 4.675 ( -0.053 -4.615 -1.322) 4.801 4.675 ( 0.053 -4.615 1.322) 4.801 4.871 ( 2.658 2.315 -5.265) 6.336 4.871 ( -2.658 2.315 5.265) 6.336 4.974 ( -5.018 -7.054 -6.780) 10.996 4.974 ( 5.018 -7.054 6.780) 10.996 5.180 ( -0.988 0.840 -3.462) 3.696 5.180 ( 0.988 0.840 3.462) 3.696 5.356 ( -0.922 1.447 -5.753) 6.004 5.356 ( 0.922 1.447 5.753) 6.004 5.517 ( 2.871 -2.018 -5.916) 6.878 5.517 ( -2.871 -2.018 5.916) 6.878 5.623 ( -2.785 8.095 -0.461) 8.573 5.623 ( 2.785 8.095 0.461) 8.573 5.670 ( 5.001 1.240 -6.345) 8.173 5.670 ( -5.001 1.240 6.345) 8.173 5.833 ( -2.305 0.161 -1.503) 2.757 5.833 ( 2.305 0.161 1.503) 2.757 5.931 ( -4.725 -2.708 -1.319) 5.604 5.931 ( 4.725 -2.708 1.319) 5.604 6.149 ( -4.199 2.069 -4.900) 6.776 6.149 ( 4.199 2.069 4.900) 6.776 6.251 ( -2.921 -5.921 -6.228) 9.077 6.251 ( 2.921 -5.921 6.228) 9.077 6.428 ( -0.917 -0.116 -3.674) 3.789 6.428 ( 0.917 -0.116 3.674) 3.789 6.520 ( -0.711 -5.076 -5.508) 7.524 6.520 ( 0.711 -5.076 5.508) 7.524 6.896 ( 3.102 -0.751 -4.274) 5.335 6.896 ( -3.102 -0.751 4.274) 5.335 7.068 ( 2.214 -4.274 -4.674) 6.709 7.068 ( -2.214 -4.274 4.674) 6.709 7.341 ( -4.904 -3.041 -6.562) 8.738 7.341 ( 4.904 -3.041 6.562) 8.738 7.611 ( -7.221 0.069 -3.955) 8.233 7.611 ( 7.221 0.069 3.955) 8.233 7.861 ( -2.389 -3.651 -2.419) 4.989 7.861 ( 2.389 -3.651 2.419) 4.989 8.081 ( -5.152 -8.684 -4.223) 10.945 8.081 ( 5.152 -8.684 4.223) 10.945 8.324 ( 2.324 2.360 -2.444) 4.116 8.324 ( -2.324 2.360 2.444) 4.116 8.403 ( -2.176 5.326 -7.264) 9.267 8.403 ( 2.176 5.326 7.264) 9.267 8.587 ( -8.191 5.690 -0.558) 9.989 8.587 ( 8.191 5.690 0.558) 9.989 8.686 ( 1.920 -0.696 -5.066) 5.462 8.686 ( -1.920 -0.696 5.066) 5.462 8.759 ( -0.387 -0.231 -1.081) 1.172 8.759 ( 0.387 -0.231 1.081) 1.172 9.004 ( -4.413 -1.096 -1.443) 4.770 9.004 ( 4.413 -1.096 1.443) 4.770 9.241 ( -0.277 -2.644 -3.195) 4.156 9.241 ( 0.277 -2.644 3.195) 4.156 9.365 ( -2.699 3.323 -2.083) 4.761 9.365 ( 2.699 3.323 2.083) 4.761 9.481 ( -0.227 4.856 -1.866) 5.207 9.481 ( 0.227 4.856 1.866) 5.207 9.624 ( -0.950 3.055 -0.693) 3.273 9.624 ( 0.950 3.055 0.693) 3.273 9.845 ( -0.540 0.499 -3.114) 3.200 9.845 ( 0.540 0.499 3.114) 3.200 9.928 ( 2.296 -3.934 -3.576) 5.791 9.928 ( -2.296 -3.934 3.576) 5.791 10.162 ( -2.729 2.476 -2.413) 4.404 10.162 ( 2.729 2.476 2.413) 4.404 10.422 ( 3.185 -1.732 -6.849) 7.749 10.422 ( -3.185 -1.732 6.849) 7.749 11.244 ( -1.764 1.483 0.350) 2.331 11.244 ( 1.764 1.483 -0.350) 2.331 11.333 ( -1.657 -0.827 -0.999) 2.104 11.333 ( 1.657 -0.827 0.999) 2.104 11.447 ( 0.110 -2.911 -3.182) 4.314 11.447 ( -0.110 -2.911 3.182) 4.314 11.607 ( 1.003 -1.719 -1.057) 2.254 11.607 ( -1.003 -1.719 1.057) 2.254 11.908 ( 1.419 3.086 -2.897) 4.464 11.908 ( -1.419 3.086 2.897) 4.464 12.117 ( -0.950 -4.336 -1.024) 4.555 12.117 ( 0.950 -4.336 1.024) 4.555 12.726 ( -3.074 0.698 -1.878) 3.669 12.726 ( 3.074 0.698 1.878) 3.669 12.822 ( -1.987 0.862 -2.573) 3.363 12.822 ( 1.987 0.862 2.573) 3.363 12.935 ( -2.399 -0.495 -0.821) 2.583 12.935 ( 2.399 -0.495 0.821) 2.583 13.125 ( -0.272 -0.186 -2.447) 2.469 13.125 ( 0.272 -0.186 2.447) 2.469 13.140 ( -0.322 -1.861 -1.557) 2.448 13.140 ( 0.322 -1.861 1.557) 2.448 13.327 ( -0.541 -2.367 -2.247) 3.308 13.327 ( 0.541 -2.367 2.247) 3.308 13.740 ( -1.715 0.902 -2.688) 3.314 13.740 ( 1.715 0.902 2.688) 3.314 13.984 ( -1.569 -0.517 -2.588) 3.070 13.984 ( 1.569 -0.517 2.588) 3.070 15.348 ( -1.730 0.642 -1.779) 2.564 15.348 ( 1.730 0.642 1.779) 2.564 15.400 ( 0.441 -0.209 -1.393) 1.476 15.400 ( -0.441 -0.209 1.393) 1.476 15.787 ( -1.916 4.697 -1.235) 5.221 15.787 ( 1.916 4.697 1.235) 5.221 15.948 ( -0.828 -2.518 -1.199) 2.909 15.948 ( 0.828 -2.518 1.199) 2.909 16.027 ( 0.037 -0.868 -1.790) 1.990 16.027 ( -0.037 -0.868 1.790) 1.990 16.391 ( -3.567 1.725 -0.485) 3.992 16.391 ( 3.567 1.725 0.485) 3.992 16.526 ( -2.826 0.385 -1.595) 3.268 16.526 ( 2.826 0.385 1.595) 3.268 16.607 ( -2.292 -0.152 -0.992) 2.502 16.607 ( 2.292 -0.152 0.992) 2.502 16.890 ( -2.056 -0.216 -0.899) 2.254 16.890 ( 2.056 -0.216 0.899) 2.254 17.010 ( 0.446 0.132 -0.194) 0.504 17.010 ( -0.446 0.132 0.194) 0.504 17.195 ( 1.374 0.096 -1.017) 1.712 17.195 ( -1.374 0.096 1.017) 1.712 17.330 ( 0.646 0.412 -1.315) 1.522 17.330 ( -0.646 0.412 1.315) 1.522 17.422 ( 0.818 -2.452 -0.903) 2.738 17.422 ( -0.818 -2.452 0.903) 2.738 17.533 ( 1.103 0.713 -1.745) 2.184 17.533 ( -1.103 0.713 1.745) 2.184 17.981 ( -0.361 0.261 -2.490) 2.529 17.981 ( 0.361 0.261 2.490) 2.529 18.102 ( 0.359 -0.431 -0.987) 1.136 18.102 ( -0.359 -0.431 0.987) 1.136 18.408 ( -0.116 1.135 -2.588) 2.829 18.408 ( 0.116 1.135 2.588) 2.829 18.564 ( -0.754 -0.933 -2.011) 2.342 18.564 ( 0.754 -0.933 2.011) 2.342 19.133 ( 0.595 3.719 -2.134) 4.329 19.133 ( -0.595 3.719 2.134) 4.329 19.440 ( -1.785 -4.921 -4.683) 7.024 19.440 ( 1.785 -4.921 4.683) 7.024 28.415 ( 1.031 2.185 -1.399) 2.792 28.415 ( -1.031 2.185 1.399) 2.792 28.534 ( 2.670 3.400 -4.427) 6.188 28.534 ( -2.670 3.400 4.427) 6.188 28.886 ( -0.096 0.518 -2.050) 2.116 28.886 ( 0.096 0.518 2.050) 2.116 29.058 ( -2.370 -7.587 -1.661) 8.120 29.058 ( 2.370 -7.587 1.661) 8.120 29.533 ( 1.858 5.203 -3.175) 6.372 29.533 ( -1.858 5.203 3.175) 6.372 29.623 ( -2.858 1.593 -5.068) 6.033 29.623 ( 2.858 1.593 5.068) 6.033 29.821 ( 0.517 0.343 -2.029) 2.121 29.821 ( -0.517 0.343 2.029) 2.121 29.912 ( 1.117 -1.777 -1.972) 2.880 29.912 ( -1.117 -1.777 1.972) 2.880 30.193 ( -2.854 3.707 -1.683) 4.972 30.193 ( 2.854 3.707 1.683) 4.972 30.259 ( -2.194 1.482 -0.466) 2.688 30.259 ( 2.194 1.482 0.466) 2.688 30.490 ( 0.192 -6.643 -4.051) 7.783 30.490 ( -0.192 -6.643 4.051) 7.783 30.633 ( -2.522 2.090 -0.408) 3.301 30.633 ( 2.522 2.090 0.408) 3.301 30.926 ( 0.598 2.441 -2.060) 3.250 30.926 ( -0.598 2.441 2.060) 3.250 31.170 ( -2.539 -0.141 -0.677) 2.631 31.170 ( 2.539 -0.141 0.677) 2.631 31.256 ( -1.308 -1.640 -1.606) 2.642 31.256 ( 1.308 -1.640 1.606) 2.642 31.466 ( -4.981 0.270 -0.101) 4.990 31.466 ( 4.981 0.270 0.101) 4.990 31.558 ( -1.404 -0.492 -0.404) 1.542 31.558 ( 1.404 -0.492 0.404) 1.542 31.811 ( -0.522 -2.765 -2.281) 3.622 31.811 ( 0.522 -2.765 2.281) 3.622 32.045 ( -1.979 6.446 -0.485) 6.760 32.045 ( 1.979 6.446 0.485) 6.760 32.720 ( -0.536 2.445 -1.429) 2.883 32.720 ( 0.536 2.445 1.429) 2.883 33.676 ( -6.978 18.413 -2.372) 19.834 33.676 ( 6.978 18.413 2.372) 19.834 34.428 ( -4.040 -14.001 -0.651) 14.587 34.428 ( 4.040 -14.001 0.651) 14.587 34.937 ( -4.923 -0.009 -1.865) 5.265 34.937 ( 4.923 -0.009 1.865) 5.265 35.668 ( -5.530 -12.141 -5.642) 14.485 35.668 ( 5.530 -12.141 5.642) 14.485 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 3.464 8.975 -17.145) 19.660 1.615 ( -0.362 30.464 -14.351) 33.676 1.794 ( -3.875 -0.840 13.720) 14.281 1.930 ( -2.058 1.444 4.664) 5.298 2.095 ( 7.323 0.456 1.853) 7.567 2.285 ( 7.074 1.883 6.323) 9.673 2.388 ( 8.086 -4.701 -0.661) 9.376 2.544 ( 2.727 -9.328 -0.166) 9.720 2.638 ( -4.206 -5.851 3.300) 7.925 2.690 ( 5.319 -5.148 -1.436) 7.540 2.837 ( 9.712 9.538 4.682) 14.394 2.876 ( -1.019 6.274 -6.893) 9.376 2.907 ( 0.152 2.833 1.601) 3.258 2.988 ( -5.935 -3.065 5.609) 8.723 3.078 ( -2.908 5.025 1.124) 5.913 3.213 ( -0.009 2.009 -3.880) 4.369 3.243 ( -11.104 -5.777 -4.499) 13.301 3.393 ( -2.074 3.568 1.036) 4.255 3.498 ( 1.047 -5.542 -4.311) 7.099 3.547 ( 5.906 4.696 6.862) 10.199 3.565 ( -0.705 3.302 1.311) 3.622 3.599 ( -1.774 -1.726 0.921) 2.641 3.759 ( -8.280 -0.600 -1.507) 8.437 3.897 ( -3.302 -2.946 3.084) 5.393 3.979 ( -0.140 6.128 -1.511) 6.313 4.049 ( 0.038 9.361 3.459) 9.980 4.066 ( 0.423 -2.563 -1.899) 3.218 4.168 ( -1.104 4.393 -7.873) 9.083 4.300 ( 4.939 -3.752 3.240) 6.998 4.426 ( -1.725 -5.452 -0.237) 5.724 4.462 ( 3.868 -2.403 -1.910) 4.938 4.586 ( -2.140 1.873 0.515) 2.890 4.730 ( -6.811 6.867 -3.692) 10.353 4.768 ( 9.019 -1.809 -1.651) 9.345 4.809 ( 4.811 -0.773 -0.922) 4.959 4.873 ( 0.399 -1.625 2.873) 3.325 4.918 ( -0.749 3.889 3.544) 5.315 5.082 ( -2.116 1.332 1.851) 3.111 5.110 ( -0.766 -1.939 -3.868) 4.394 5.269 ( -0.422 -0.784 -4.245) 4.337 5.281 ( 3.717 -1.051 4.068) 5.610 5.390 ( -0.677 -1.285 2.451) 2.849 5.474 ( 0.799 3.290 -3.808) 5.095 5.500 ( -2.836 -0.630 -3.732) 4.730 5.554 ( 0.063 2.266 -1.783) 2.884 5.588 ( 0.253 -0.474 -5.368) 5.395 5.657 ( 0.118 -0.247 -2.251) 2.268 5.732 ( 1.264 2.120 2.239) 3.333 5.760 ( -0.876 0.406 -1.755) 2.003 5.869 ( -0.568 -5.095 -0.670) 5.170 5.874 ( 3.437 -0.314 -3.052) 4.608 6.036 ( 3.742 -4.201 -0.462) 5.645 6.051 ( -0.557 5.016 -2.935) 5.838 6.153 ( -2.350 -2.924 -0.490) 3.783 6.302 ( 3.852 4.255 2.108) 6.115 6.331 ( -1.177 -1.969 1.981) 3.031 6.394 ( -1.774 -9.116 1.242) 9.369 6.445 ( -1.298 -5.430 2.821) 6.256 6.562 ( 5.253 3.785 8.558) 10.731 6.659 ( 7.216 0.240 2.212) 7.551 6.865 ( -2.759 2.573 2.746) 4.667 6.909 ( -1.403 0.303 0.114) 1.440 7.040 ( -3.199 -4.327 4.766) 7.188 7.107 ( -1.459 -2.836 5.115) 6.028 7.235 ( 1.621 -0.062 -5.214) 5.461 7.441 ( 0.759 -4.403 -1.386) 4.678 7.568 ( 4.788 0.653 3.731) 6.105 7.724 ( 1.446 -5.704 -2.701) 6.474 7.818 ( -1.354 -2.884 0.808) 3.287 7.942 ( 1.101 2.020 1.137) 2.566 7.991 ( -0.418 -6.948 3.461) 7.774 8.211 ( -1.638 3.091 -1.940) 4.000 8.236 ( -3.953 -3.924 2.802) 6.235 8.304 ( -0.338 0.890 -0.888) 1.302 8.328 ( 1.502 0.769 -1.543) 2.287 8.435 ( -4.596 -1.728 2.624) 5.568 8.459 ( -4.121 11.409 -1.382) 12.209 8.620 ( 0.400 0.787 -5.974) 6.039 8.702 ( 0.484 -3.914 -0.462) 3.971 8.733 ( 5.263 3.135 0.182) 6.129 8.769 ( 2.003 1.626 2.335) 3.480 8.839 ( 4.317 0.786 1.311) 4.580 8.885 ( -3.675 -0.839 -3.574) 5.195 9.053 ( 3.393 -1.931 -3.255) 5.083 9.138 ( -3.218 -3.783 -3.584) 6.125 9.246 ( -2.586 1.220 -1.844) 3.402 9.308 ( -1.098 -2.686 0.038) 2.902 9.404 ( 0.640 2.570 -1.533) 3.061 9.426 ( -6.144 6.335 0.707) 8.854 9.509 ( -1.692 2.185 3.022) 4.095 9.580 ( -0.777 6.697 -2.547) 7.207 9.628 ( 0.863 0.996 -0.158) 1.327 9.746 ( -7.553 -0.773 -2.663) 8.046 9.867 ( -4.080 -5.847 1.283) 7.245 9.914 ( -1.101 1.652 5.170) 5.538 9.956 ( 4.536 0.631 -2.471) 5.204 10.099 ( -2.161 3.418 -0.851) 4.132 10.214 ( -0.602 0.086 0.167) 0.631 10.360 ( -3.670 -0.497 -0.292) 3.715 10.423 ( -4.515 -3.473 2.909) 6.396 11.231 ( -0.283 1.181 0.279) 1.246 11.277 ( 2.801 1.194 -1.680) 3.478 11.297 ( -0.842 -1.108 0.209) 1.407 11.347 ( -0.607 0.581 0.223) 0.869 11.419 ( -1.228 -3.355 -0.808) 3.663 11.495 ( 0.489 -5.457 2.890) 6.195 11.623 ( 2.054 -0.319 -0.004) 2.078 11.627 ( 2.165 -1.678 -0.212) 2.747 11.881 ( -0.953 2.771 -1.850) 3.465 11.911 ( -1.376 3.060 1.776) 3.796 12.107 ( 0.039 -4.328 1.165) 4.482 12.139 ( -0.572 -4.101 1.690) 4.472 12.673 ( -1.161 2.079 -1.187) 2.660 12.758 ( -2.148 -0.533 -1.533) 2.692 12.811 ( 3.669 -0.564 1.316) 3.938 12.869 ( 0.580 -0.236 1.761) 1.869 12.909 ( -0.627 0.801 2.056) 2.294 12.991 ( 1.578 -0.305 1.592) 2.262 13.089 ( -0.104 1.272 -3.305) 3.543 13.140 ( 0.944 -1.385 -0.243) 1.693 13.168 ( 1.079 -0.885 3.277) 3.561 13.186 ( 1.751 -3.054 1.803) 3.955 13.299 ( -0.310 -0.996 -1.389) 1.738 13.374 ( 1.889 -3.114 2.033) 4.171 13.687 ( -0.413 1.390 -2.206) 2.640 13.770 ( -0.275 -2.508 -0.559) 2.584 13.954 ( 0.218 2.230 0.254) 2.255 14.037 ( 0.902 -1.139 1.557) 2.129 15.293 ( -2.666 1.425 -0.323) 3.040 15.369 ( -0.092 -2.872 0.179) 2.879 15.400 ( -1.487 0.394 2.422) 2.869 15.430 ( 0.590 0.326 1.219) 1.393 15.757 ( 0.345 4.430 -1.195) 4.602 15.833 ( 1.625 4.108 0.752) 4.482 15.916 ( -0.199 -1.704 -3.105) 3.548 15.961 ( 0.733 -1.286 -1.908) 2.415 15.995 ( -0.944 -0.411 -1.527) 1.841 16.039 ( 0.273 -1.777 0.592) 1.893 16.352 ( -1.541 2.725 1.747) 3.585 16.433 ( -1.378 0.392 -1.777) 2.283 16.459 ( -0.872 -1.431 -0.170) 1.685 16.507 ( -0.968 -2.017 -2.399) 3.281 16.627 ( 0.442 1.778 2.388) 3.010 16.664 ( 0.608 0.703 3.052) 3.191 16.867 ( 0.359 1.816 -0.575) 1.939 16.945 ( 1.555 -0.496 0.796) 1.816 16.993 ( -0.587 0.275 -0.275) 0.704 17.000 ( -0.634 -0.372 -0.439) 0.855 17.191 ( -0.130 0.103 0.875) 0.890 17.215 ( 1.655 0.037 0.308) 1.684 17.294 ( -1.662 0.116 -0.671) 1.796 17.340 ( 1.049 -0.474 -1.870) 2.196 17.419 ( -1.122 -1.976 1.292) 2.614 17.430 ( 0.713 -2.423 0.147) 2.530 17.544 ( 0.876 1.196 1.459) 2.080 17.563 ( 3.340 -0.222 -0.895) 3.465 17.967 ( 0.520 0.308 0.108) 0.614 18.020 ( -0.362 -0.739 2.014) 2.176 18.077 ( -0.780 0.324 -0.978) 1.292 18.113 ( 1.131 -0.533 -0.938) 1.563 18.354 ( -1.188 1.313 -3.294) 3.740 18.382 ( -2.402 -0.262 -2.016) 3.147 18.549 ( 1.358 1.266 -0.211) 1.868 18.581 ( 0.522 0.378 -1.464) 1.599 19.120 ( 0.282 3.274 -0.646) 3.349 19.156 ( 0.565 3.288 1.092) 3.510 19.358 ( -1.373 -1.133 -3.178) 3.643 19.493 ( -1.151 -6.266 2.753) 6.940 28.383 ( -1.926 1.697 -1.067) 2.780 28.398 ( -1.107 1.327 -1.661) 2.397 28.530 ( 1.624 3.293 -2.313) 4.339 28.544 ( -1.885 3.088 3.922) 5.336 28.862 ( 0.042 -0.096 -1.713) 1.717 28.931 ( 2.428 0.877 0.502) 2.630 29.025 ( -0.403 -5.446 0.579) 5.491 29.127 ( 2.477 -8.105 1.537) 8.614 29.491 ( -3.660 5.489 -0.165) 6.600 29.515 ( -0.715 3.512 -1.452) 3.867 29.573 ( 1.273 2.105 -0.881) 2.613 29.702 ( -0.421 0.241 3.984) 4.013 29.804 ( -0.257 -1.034 -0.982) 1.449 29.860 ( 1.129 -0.591 1.264) 1.795 29.880 ( -1.954 -0.564 -0.491) 2.092 29.914 ( -0.070 -1.197 -0.362) 1.253 30.178 ( 1.333 6.239 0.286) 6.386 30.222 ( -0.552 1.702 -0.242) 1.805 30.264 ( 2.506 1.747 0.258) 3.066 30.289 ( 0.861 1.792 -0.051) 1.989 30.408 ( -1.634 -3.764 -3.092) 5.138 30.534 ( 1.943 -2.852 -1.785) 3.885 30.619 ( -0.299 4.564 1.422) 4.789 30.707 ( 4.917 -2.088 0.716) 5.389 30.869 ( -3.098 2.756 2.274) 4.729 30.978 ( 1.508 0.469 -0.936) 1.835 31.078 ( -3.198 -1.211 -3.791) 5.106 31.150 ( 0.799 -1.443 -3.303) 3.692 31.311 ( -2.768 2.881 6.296) 7.456 31.315 ( -0.828 0.363 4.123) 4.221 31.383 ( 0.120 4.106 1.253) 4.295 31.477 ( -0.281 0.193 1.383) 1.424 31.623 ( 3.167 -3.262 -0.019) 4.547 31.657 ( 6.323 -4.678 0.443) 7.878 31.754 ( -1.497 1.209 0.519) 1.993 31.813 ( -1.767 -0.348 -1.466) 2.322 32.026 ( -0.188 5.513 1.118) 5.628 32.067 ( -0.038 3.069 0.534) 3.115 32.707 ( -0.092 3.059 0.784) 3.159 32.759 ( 0.867 0.408 2.286) 2.478 33.633 ( 3.309 15.821 1.372) 16.221 33.894 ( 10.564 11.889 6.260) 17.092 34.411 ( 1.745 -13.743 2.013) 13.998 34.526 ( 4.845 -11.737 1.480) 12.784 34.770 ( -9.546 -0.454 -4.577) 10.596 34.932 ( -5.462 -6.544 -5.413) 10.098 35.458 ( -5.834 -1.429 -7.908) 9.930 35.741 ( -0.595 -13.248 0.061) 13.262 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 19.671 5.394 -0.478) 20.403 1.568 ( 7.377 25.060 -3.797) 26.398 1.906 ( 3.042 -13.038 6.729) 14.984 1.970 ( 3.428 1.459 3.229) 4.931 2.276 ( 6.046 -0.410 3.188) 6.848 2.393 ( -6.072 -3.102 1.897) 7.077 2.453 ( 5.458 0.978 -5.600) 7.881 2.541 ( -5.743 -3.912 -6.392) 9.442 2.582 ( -3.367 3.076 0.263) 4.568 2.688 ( -3.180 4.437 -1.980) 5.807 2.762 ( -2.608 1.249 1.340) 3.187 2.839 ( -0.769 -0.225 -8.742) 8.779 2.910 ( 2.157 -8.178 7.088) 11.035 2.979 ( -4.008 -0.601 1.188) 4.223 3.074 ( -0.776 5.263 -5.394) 7.576 3.159 ( -0.089 -1.603 0.528) 1.690 3.189 ( -1.580 0.786 2.441) 3.012 3.348 ( -4.891 -4.308 2.687) 7.049 3.400 ( -1.291 -1.091 -1.435) 2.217 3.477 ( 4.634 -4.261 -1.550) 6.483 3.581 ( -6.433 -4.585 0.232) 7.903 3.677 ( 0.566 -7.222 -2.310) 7.604 3.759 ( 2.885 6.958 3.698) 8.391 3.878 ( -3.621 5.136 -3.963) 7.429 3.951 ( -0.485 -1.406 -0.955) 1.767 4.014 ( 2.129 0.078 3.567) 4.155 4.104 ( 1.222 2.709 -1.338) 3.259 4.225 ( 2.608 5.083 5.811) 8.149 4.341 ( -6.499 -2.071 -1.926) 7.088 4.422 ( 2.628 3.461 2.250) 4.894 4.454 ( -6.210 0.473 1.028) 6.313 4.556 ( 3.137 3.180 1.139) 4.610 4.672 ( 0.086 3.237 -2.780) 4.268 4.727 ( 1.142 4.464 -3.200) 5.610 4.876 ( 5.877 1.035 -4.200) 7.297 4.923 ( 1.841 -3.767 -2.133) 4.704 4.973 ( 3.975 4.928 1.230) 6.450 5.078 ( 2.368 2.019 -0.776) 3.207 5.109 ( -2.804 0.006 2.326) 3.643 5.248 ( 4.170 -0.322 -2.386) 4.815 5.281 ( -3.343 1.015 -1.973) 4.012 5.327 ( -4.061 2.173 -3.133) 5.570 5.400 ( -1.196 -0.917 2.943) 3.306 5.501 ( -1.937 -4.506 -8.583) 9.885 5.542 ( 2.685 -2.604 -0.815) 3.828 5.597 ( 0.763 -2.667 -4.986) 5.705 5.651 ( 0.549 -3.986 4.189) 5.808 5.730 ( 2.571 -3.238 1.775) 4.499 5.809 ( 1.282 0.710 3.260) 3.574 5.904 ( 5.696 -3.162 -1.616) 6.713 5.920 ( 3.610 0.248 1.831) 4.055 5.982 ( -2.026 1.467 -3.376) 4.202 6.055 ( -0.538 0.234 0.127) 0.601 6.138 ( -0.582 -1.010 0.785) 1.406 6.319 ( -3.436 4.599 0.327) 5.750 6.333 ( 2.953 2.747 -2.174) 4.582 6.351 ( -4.555 -4.412 3.274) 7.137 6.476 ( 0.300 -7.791 0.448) 7.809 6.727 ( 1.495 6.133 5.243) 8.206 6.768 ( 6.193 5.959 -3.798) 9.396 6.884 ( 1.924 6.086 1.624) 6.586 6.921 ( -0.995 3.139 5.983) 6.829 7.057 ( -0.816 -1.754 4.519) 4.916 7.168 ( -0.432 -0.872 8.709) 8.763 7.225 ( 1.843 -2.449 -3.535) 4.679 7.454 ( 0.558 -4.098 -0.818) 4.216 7.634 ( -1.684 -2.304 1.382) 3.171 7.681 ( -1.665 -4.256 0.171) 4.573 7.858 ( -1.537 1.840 3.766) 4.465 7.888 ( 0.077 4.951 -1.923) 5.312 8.013 ( 1.934 -2.659 -5.083) 6.054 8.137 ( -4.260 -6.323 -1.973) 7.875 8.183 ( -0.595 4.999 3.453) 6.105 8.315 ( 0.437 2.190 -3.166) 3.874 8.390 ( -3.603 12.123 1.965) 12.799 8.411 ( 6.237 -5.948 3.047) 9.141 8.474 ( 1.054 -4.269 7.554) 8.740 8.566 ( 2.006 2.218 -4.988) 5.815 8.706 ( 1.068 1.852 -0.589) 2.218 8.726 ( -3.339 -2.694 -2.896) 5.177 8.806 ( -0.159 0.715 1.643) 1.799 8.889 ( 4.322 2.131 -2.041) 5.233 8.904 ( 1.588 -0.793 1.573) 2.372 9.045 ( 2.894 -2.504 -5.052) 6.338 9.125 ( -1.294 -2.056 0.207) 2.438 9.167 ( 0.863 1.406 -2.240) 2.782 9.264 ( -4.803 -2.330 -0.222) 5.343 9.345 ( -4.232 -2.450 1.430) 5.094 9.371 ( -2.449 -1.488 -0.225) 2.874 9.456 ( -3.251 7.837 -1.700) 8.654 9.521 ( -8.345 -2.642 -0.276) 8.758 9.599 ( -1.650 4.399 -2.635) 5.386 9.673 ( 3.449 -0.259 1.310) 3.698 9.843 ( -0.799 -6.586 3.824) 7.657 9.945 ( -2.457 3.515 2.378) 4.903 9.982 ( 0.593 5.289 -1.567) 5.548 10.054 ( -2.313 -0.774 -0.171) 2.445 10.136 ( -6.850 0.438 -0.386) 6.875 10.308 ( -2.401 -2.533 -0.101) 3.492 10.355 ( -4.132 -4.877 -0.877) 6.451 11.236 ( -0.361 0.722 1.448) 1.657 11.281 ( 1.749 0.667 -2.639) 3.236 11.322 ( 1.344 -1.612 0.841) 2.261 11.339 ( -0.330 0.487 0.383) 0.702 11.382 ( -2.211 -2.376 0.016) 3.246 11.494 ( -2.124 -7.801 -1.056) 8.153 11.654 ( 1.965 0.679 0.624) 2.171 11.684 ( 3.200 0.630 0.203) 3.268 11.849 ( -0.032 2.693 -1.339) 3.008 11.905 ( -1.744 2.889 1.402) 3.654 12.137 ( 0.758 -4.912 2.107) 5.398 12.146 ( -0.656 -3.382 1.879) 3.924 12.662 ( 0.679 1.949 0.118) 2.067 12.728 ( -0.166 -1.235 0.277) 1.277 12.844 ( -0.017 1.494 -0.789) 1.690 12.894 ( 0.779 -1.415 1.181) 2.000 12.956 ( -0.466 1.467 2.357) 2.815 13.001 ( -0.784 0.419 -1.315) 1.587 13.051 ( 0.537 2.232 -1.015) 2.510 13.149 ( 0.689 -2.333 -0.593) 2.503 13.207 ( 0.014 -3.438 1.136) 3.621 13.220 ( 0.978 -3.259 -0.640) 3.462 13.305 ( 1.475 1.550 1.435) 2.577 13.421 ( 1.538 -3.447 0.082) 3.776 13.691 ( 1.868 0.901 0.957) 2.284 13.759 ( 0.540 -2.678 0.584) 2.794 13.952 ( -0.647 2.367 -1.968) 3.145 14.033 ( -1.672 -1.005 -1.456) 2.434 15.261 ( -1.266 0.564 0.860) 1.631 15.366 ( -0.110 -4.135 -0.735) 4.201 15.391 ( -2.545 -0.096 2.079) 3.288 15.421 ( -2.556 -0.516 0.415) 2.641 15.768 ( 2.198 3.496 -1.129) 4.281 15.849 ( -0.130 2.936 -0.371) 2.963 15.871 ( 0.232 -1.396 -3.472) 3.750 15.922 ( -0.757 -1.148 -3.602) 3.856 15.992 ( 1.053 1.654 0.799) 2.117 16.057 ( 0.650 -0.815 1.044) 1.476 16.345 ( -1.288 -0.298 -1.366) 1.902 16.373 ( -2.492 -0.730 -2.617) 3.687 16.428 ( -0.436 -0.314 1.738) 1.819 16.506 ( -0.096 -3.143 0.623) 3.206 16.640 ( 0.442 3.459 -0.040) 3.487 16.690 ( -0.985 1.188 2.002) 2.528 16.872 ( 0.416 1.546 -0.502) 1.678 16.919 ( -1.633 -1.036 -1.637) 2.534 16.979 ( 0.374 1.756 -1.048) 2.079 17.026 ( 0.520 1.137 1.334) 1.829 17.201 ( 0.160 2.300 0.097) 2.308 17.262 ( 1.768 -0.516 1.604) 2.442 17.282 ( 0.937 -1.396 0.207) 1.694 17.329 ( 0.914 -1.469 -2.034) 2.670 17.419 ( -0.952 -1.189 1.919) 2.450 17.451 ( 0.755 -2.828 1.463) 3.272 17.566 ( -0.207 0.715 0.011) 0.745 17.600 ( 1.437 -0.925 -0.810) 1.891 17.987 ( 1.196 -0.466 0.169) 1.295 18.005 ( -0.506 -0.397 0.230) 0.683 18.066 ( -0.742 -0.427 0.166) 0.872 18.113 ( 0.091 -1.768 -1.284) 2.187 18.329 ( 1.301 1.773 0.514) 2.258 18.370 ( 1.799 0.944 0.702) 2.149 18.558 ( 0.288 3.071 -2.066) 3.712 18.579 ( 1.038 1.727 -0.056) 2.016 19.128 ( 1.015 2.859 0.058) 3.034 19.173 ( 0.245 2.856 0.558) 2.921 19.326 ( 0.318 -0.441 -1.265) 1.377 19.466 ( -3.806 -5.342 0.381) 6.570 28.344 ( -0.876 0.944 -1.089) 1.686 28.357 ( -1.226 0.540 -1.188) 1.790 28.538 ( 1.288 2.604 -0.503) 2.949 28.563 ( -0.546 1.358 2.731) 3.099 28.843 ( -0.141 0.778 -1.186) 1.426 28.957 ( -0.048 -1.474 -0.537) 1.570 29.045 ( 0.801 -1.192 1.482) 2.064 29.149 ( -0.533 -5.554 -0.852) 5.645 29.462 ( -0.522 2.970 1.367) 3.311 29.501 ( 1.279 2.646 -1.229) 3.186 29.603 ( 1.575 1.926 1.306) 2.809 29.709 ( -2.640 -1.056 2.108) 3.539 29.782 ( -0.443 0.118 -1.218) 1.301 29.845 ( -1.867 0.301 1.026) 2.152 29.883 ( 0.403 0.282 0.081) 0.499 29.906 ( 0.526 0.539 -2.020) 2.156 30.173 ( -0.792 2.126 -0.360) 2.298 30.225 ( -1.250 0.930 -0.909) 1.804 30.286 ( -0.621 1.064 0.639) 1.388 30.294 ( 1.411 1.791 -0.840) 2.430 30.406 ( 5.840 5.030 -2.145) 8.001 30.537 ( 1.193 1.012 -1.312) 2.042 30.633 ( -0.112 3.308 0.844) 3.416 30.801 ( 6.264 -4.945 -1.564) 8.132 30.861 ( -0.018 1.620 0.065) 1.621 30.947 ( -3.885 -2.609 -1.403) 4.885 31.014 ( 0.550 1.840 -1.239) 2.285 31.170 ( 3.255 -2.810 -0.533) 4.333 31.243 ( -7.653 4.242 3.649) 9.480 31.324 ( -3.926 -0.380 3.405) 5.211 31.443 ( 3.236 5.320 0.444) 6.243 31.515 ( 0.130 4.242 1.460) 4.489 31.666 ( -6.802 0.711 2.076) 7.147 31.681 ( 3.858 -1.324 0.588) 4.121 31.774 ( 4.469 1.204 2.717) 5.367 31.811 ( 1.057 1.558 -1.287) 2.280 32.036 ( -1.225 4.709 2.261) 5.365 32.091 ( 0.829 0.243 2.775) 2.907 32.731 ( 1.037 1.515 1.534) 2.392 32.791 ( -0.093 -1.040 1.783) 2.066 33.797 ( 12.477 8.354 1.737) 15.115 34.093 ( 4.158 0.399 4.074) 5.835 34.457 ( -5.739 -7.487 -2.205) 9.688 34.531 ( -5.313 -11.046 -12.102) 17.225 34.590 ( 0.733 -5.196 1.568) 5.476 34.724 ( -3.755 -8.686 -0.047) 9.463 35.379 ( 1.245 4.112 -0.751) 4.361 35.676 ( -4.431 -10.551 -2.773) 11.775 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.714 14.465 4.871) 17.576 1.768 ( 11.446 -1.811 4.254) 12.345 1.987 ( 3.663 -8.485 1.641) 9.386 2.106 ( 4.341 1.016 -0.549) 4.492 2.181 ( -4.648 8.940 -9.561) 13.891 2.347 ( -2.204 -6.254 -8.292) 10.618 2.359 ( -1.518 5.278 6.878) 8.802 2.458 ( -3.855 1.578 1.286) 4.360 2.492 ( -4.403 5.189 -2.056) 7.109 2.549 ( -7.213 1.771 -0.381) 7.437 2.796 ( 1.290 -3.978 0.855) 4.268 2.813 ( 3.635 -1.577 -0.982) 4.082 2.861 ( -1.994 -5.632 -1.991) 6.297 2.933 ( -4.514 -5.252 -1.842) 7.166 3.123 ( 4.351 -2.613 3.890) 6.395 3.198 ( 1.234 0.064 -2.606) 2.884 3.259 ( -0.486 -6.917 6.294) 9.365 3.311 ( -1.041 -9.445 -3.511) 10.130 3.387 ( 3.562 6.582 0.870) 7.534 3.484 ( -3.619 -6.806 4.532) 8.942 3.535 ( 3.167 -5.576 -7.937) 10.204 3.677 ( 3.825 -3.597 4.510) 6.921 3.792 ( -2.005 -1.489 2.860) 3.797 3.857 ( -6.349 0.834 -3.325) 7.215 3.941 ( 4.622 5.397 1.964) 7.372 4.017 ( -3.578 6.021 1.059) 7.084 4.131 ( 5.177 -1.727 -4.408) 7.015 4.134 ( -3.378 6.614 -2.399) 7.804 4.289 ( -3.561 -6.019 3.556) 7.846 4.346 ( -5.395 -1.383 -4.892) 7.413 4.443 ( 1.058 5.361 -2.603) 6.053 4.497 ( -8.049 3.626 0.515) 8.843 4.771 ( 8.363 9.901 8.346) 15.415 4.842 ( 7.135 6.236 -1.267) 9.560 4.908 ( 1.982 2.187 -3.055) 4.248 4.966 ( -3.735 2.310 2.746) 5.180 5.031 ( 8.454 -2.003 -3.476) 9.358 5.069 ( 2.602 -2.979 -0.741) 4.024 5.125 ( -0.851 0.050 2.200) 2.360 5.183 ( -6.917 4.496 1.501) 8.385 5.266 ( -4.150 0.211 2.854) 5.041 5.308 ( -2.414 -4.063 -7.518) 8.880 5.327 ( 6.867 -2.317 -2.246) 7.587 5.464 ( -3.593 -2.735 -4.992) 6.731 5.501 ( 2.871 -2.559 3.766) 5.383 5.638 ( 3.125 -2.975 0.354) 4.329 5.647 ( -3.270 -1.073 -3.844) 5.159 5.693 ( -2.670 -2.677 1.861) 4.214 5.927 ( 0.543 -0.063 2.784) 2.838 5.934 ( 0.230 0.530 -1.792) 1.883 5.971 ( 3.582 1.089 2.062) 4.274 6.001 ( 3.046 -2.228 0.196) 3.779 6.066 ( 0.785 0.592 1.857) 2.101 6.119 ( -1.826 -1.571 -1.776) 2.992 6.275 ( -2.177 1.522 3.366) 4.288 6.313 ( -2.535 -0.343 0.220) 2.568 6.399 ( 6.267 5.991 -2.301) 8.970 6.453 ( -2.729 -0.688 0.449) 2.850 6.759 ( -0.459 3.499 2.985) 4.622 6.805 ( 2.760 5.841 -4.708) 7.994 6.902 ( 0.813 5.500 -1.095) 5.666 6.932 ( -3.264 5.818 1.804) 6.911 7.128 ( 2.897 0.371 2.404) 3.783 7.185 ( -2.909 -2.448 0.757) 3.877 7.302 ( 3.489 -1.411 6.149) 7.209 7.408 ( -1.911 -3.279 -3.830) 5.392 7.620 ( 0.206 -2.202 0.026) 2.212 7.662 ( -3.108 -4.268 -0.409) 5.296 7.825 ( 1.934 5.003 5.059) 7.373 7.943 ( -0.946 0.456 -7.622) 7.694 8.012 ( 4.215 -0.905 4.534) 6.257 8.101 ( -1.326 -5.276 -0.539) 5.467 8.191 ( -0.161 10.241 2.909) 10.647 8.293 ( -3.498 13.041 -4.867) 14.352 8.370 ( 3.810 1.676 2.087) 4.656 8.476 ( -4.022 1.716 -1.843) 4.746 8.570 ( 6.845 -3.272 2.119) 7.877 8.634 ( 3.770 -1.794 1.003) 4.294 8.657 ( -3.097 -6.274 5.240) 8.742 8.729 ( 0.296 4.088 0.279) 4.108 8.787 ( -2.596 1.435 2.196) 3.691 8.869 ( -0.535 -0.677 -6.867) 6.921 8.946 ( 1.314 -2.959 0.913) 3.364 9.006 ( -2.832 -1.838 -3.516) 4.875 9.114 ( 5.372 2.026 -0.434) 5.757 9.180 ( 1.129 -2.436 -4.275) 5.049 9.221 ( -0.458 -0.118 0.818) 0.945 9.278 ( -6.525 -1.683 1.568) 6.918 9.335 ( -5.227 -2.719 4.759) 7.574 9.352 ( -1.790 1.192 -2.296) 3.146 9.486 ( 2.922 -2.766 1.255) 4.214 9.557 ( -0.682 1.903 -3.375) 3.934 9.772 ( 4.042 -2.139 4.007) 6.081 9.870 ( -2.499 -3.507 -1.259) 4.486 9.909 ( -1.232 1.350 2.507) 3.103 9.941 ( -3.458 4.734 -0.151) 5.864 10.009 ( -2.056 -0.308 1.536) 2.585 10.047 ( -1.304 -2.126 -3.127) 4.000 10.279 ( -1.615 -3.875 1.210) 4.369 10.291 ( -0.367 -4.732 -2.883) 5.553 11.252 ( -0.854 0.414 3.022) 3.167 11.273 ( 1.516 0.380 -3.706) 4.022 11.336 ( 0.169 -0.150 0.721) 0.755 11.350 ( -0.949 -2.028 0.364) 2.268 11.369 ( 1.354 -1.947 1.069) 2.601 11.425 ( -2.608 -4.741 -2.475) 5.950 11.695 ( 0.951 1.095 1.603) 2.162 11.714 ( 0.838 0.713 -1.094) 1.552 11.858 ( 2.050 2.508 -0.661) 3.306 11.885 ( -2.051 2.655 0.857) 3.463 12.161 ( 0.035 -4.127 1.249) 4.312 12.164 ( 0.204 -4.731 0.754) 4.795 12.702 ( 2.717 2.014 1.851) 3.855 12.758 ( 0.498 -0.575 1.312) 1.516 12.807 ( -0.557 2.583 -1.328) 2.957 12.881 ( -4.206 0.062 -2.837) 5.074 12.929 ( 0.219 0.579 1.823) 1.925 12.961 ( -0.508 0.195 -2.570) 2.627 13.106 ( 2.143 0.526 2.468) 3.311 13.147 ( -0.267 -1.202 -1.072) 1.632 13.212 ( 0.105 -2.719 0.437) 2.756 13.221 ( 0.605 -3.000 -1.258) 3.309 13.359 ( 1.900 -0.134 2.311) 2.995 13.413 ( -0.939 -2.365 -2.111) 3.307 13.764 ( 2.825 0.797 4.014) 4.973 13.812 ( 2.005 -1.745 2.550) 3.684 13.890 ( -1.154 1.915 -3.353) 4.030 13.951 ( -3.760 -0.932 -3.950) 5.532 15.275 ( 1.234 -1.210 1.593) 2.350 15.330 ( -2.476 -2.854 -1.571) 4.092 15.378 ( -0.305 -2.078 0.042) 2.101 15.384 ( -1.638 -1.528 0.550) 2.306 15.796 ( 2.063 2.013 -0.374) 2.907 15.825 ( -1.062 1.445 -0.861) 1.989 15.858 ( 0.891 -0.785 -1.194) 1.684 15.875 ( -1.352 -0.922 -0.992) 1.914 16.037 ( 2.509 2.728 0.983) 3.834 16.071 ( -0.635 1.354 0.429) 1.556 16.303 ( -1.171 -2.493 -0.846) 2.881 16.306 ( -1.157 -2.280 -1.924) 3.200 16.467 ( 0.812 0.511 2.475) 2.655 16.498 ( -0.629 -0.854 -0.761) 1.305 16.657 ( 1.429 3.032 0.204) 3.358 16.683 ( -1.379 1.984 0.356) 2.442 16.870 ( 0.032 -0.315 0.016) 0.317 16.882 ( -0.876 -1.108 -0.840) 1.643 16.988 ( 1.708 3.281 -0.529) 3.736 17.019 ( -1.723 3.000 -0.155) 3.463 17.216 ( 0.907 1.274 1.340) 2.059 17.255 ( -0.947 0.344 -2.109) 2.337 17.319 ( 1.605 -1.327 0.810) 2.234 17.338 ( 0.449 -1.400 -0.258) 1.493 17.437 ( 0.278 -0.487 2.496) 2.558 17.471 ( -0.546 -1.021 -0.360) 1.212 17.556 ( 0.690 -0.890 0.557) 1.256 17.592 ( -0.676 -1.736 -1.659) 2.495 18.017 ( 1.804 -1.305 -0.010) 2.226 18.026 ( 0.304 -1.233 2.532) 2.833 18.050 ( -0.798 -1.774 0.094) 1.948 18.083 ( -1.312 -2.340 -1.933) 3.307 18.385 ( 2.720 2.701 1.351) 4.064 18.414 ( 0.284 1.800 1.118) 2.138 18.551 ( 1.279 3.489 -0.616) 3.767 18.577 ( -0.945 2.217 -0.570) 2.476 19.151 ( 1.151 2.860 0.557) 3.133 19.173 ( -0.592 3.049 -0.269) 3.117 19.337 ( 1.988 -2.408 0.007) 3.123 19.394 ( -3.889 -3.978 -0.771) 5.616 28.330 ( 0.132 0.708 -0.457) 0.853 28.335 ( -0.574 0.595 -0.204) 0.851 28.562 ( 1.881 0.601 -0.338) 2.004 28.578 ( -1.071 -0.455 1.629) 2.002 28.845 ( 0.899 1.543 1.320) 2.221 28.907 ( -2.699 -0.981 -2.935) 4.107 29.079 ( 1.039 0.713 1.592) 2.031 29.115 ( -1.073 -0.874 -1.610) 2.123 29.490 ( 0.905 0.405 1.814) 2.067 29.511 ( 0.766 0.659 -1.125) 1.512 29.644 ( 1.239 0.458 1.350) 1.888 29.679 ( -1.997 -0.729 -0.063) 2.127 29.779 ( 0.733 3.014 0.869) 3.222 29.819 ( -2.039 3.059 -0.616) 3.727 29.887 ( 0.450 0.293 -0.555) 0.772 29.889 ( 0.112 -0.183 -0.924) 0.948 30.165 ( 0.042 1.427 0.355) 1.471 30.185 ( -1.168 1.057 -1.258) 2.016 30.281 ( -0.543 0.172 0.980) 1.134 30.291 ( 0.207 0.255 -1.536) 1.571 30.514 ( 4.877 6.240 1.140) 8.002 30.548 ( 1.418 2.818 -1.374) 3.441 30.649 ( 2.390 0.673 1.286) 2.797 30.769 ( -6.654 -3.717 -2.664) 8.074 30.883 ( 3.724 -1.176 -3.184) 5.039 30.896 ( -0.447 -1.781 0.421) 1.883 31.073 ( 4.040 3.945 2.929) 6.361 31.158 ( -3.651 5.346 -0.484) 6.492 31.219 ( 2.611 0.790 -0.195) 2.735 31.294 ( -6.492 -0.055 3.405) 7.331 31.448 ( 0.944 -1.572 0.829) 2.013 31.520 ( -2.231 0.559 -2.470) 3.375 31.625 ( 1.967 6.277 2.808) 7.152 31.708 ( -2.186 4.228 -1.694) 5.052 31.826 ( 3.118 3.752 0.519) 4.906 31.863 ( 0.537 1.781 1.033) 2.128 32.065 ( 0.613 4.237 4.589) 6.276 32.118 ( -0.673 1.440 -0.225) 1.606 32.768 ( 1.267 -0.172 1.248) 1.787 32.794 ( -0.885 -1.035 0.154) 1.370 34.028 ( 11.645 2.754 -0.647) 11.984 34.124 ( -1.922 -1.525 0.193) 2.461 34.247 ( -2.218 -7.016 -7.433) 10.459 34.318 ( -9.412 -7.301 -0.719) 11.934 34.690 ( 5.248 -8.892 0.205) 10.327 34.736 ( -2.226 -9.606 3.515) 10.469 35.437 ( 3.250 -0.702 3.316) 4.696 35.552 ( -4.815 -6.269 -4.146) 8.926 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 -0.000 -0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 -0.000 -0.000) 0.000 2.210 ( -0.000 -0.000 0.000) 0.000 2.235 ( 0.000 0.000 -0.000) 0.000 2.235 ( -0.000 0.000 0.000) 0.000 2.575 ( -0.000 0.000 -0.000) 0.000 2.575 ( -0.000 0.000 0.000) 0.000 2.811 ( 0.000 -0.000 0.000) 0.000 2.811 ( -0.000 0.000 0.000) 0.000 3.083 ( -0.000 -0.000 -0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 -0.000 -0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.332 ( -0.000 -0.000 0.000) 0.000 3.332 ( -0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 -0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.864 ( -0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.956 ( -0.000 -0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.234 ( -0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.400 ( -0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.579 ( -0.000 -0.000 -0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.630 ( -0.000 0.000 -0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 -0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.928 ( -0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.243 ( -0.000 0.000 0.000) 0.000 5.243 ( -0.000 0.000 0.000) 0.000 5.283 ( 0.000 -0.000 -0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 -0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.703 ( -0.000 0.000 0.000) 0.000 5.703 ( 0.000 -0.000 0.000) 0.000 5.754 ( -0.000 -0.000 -0.000) 0.000 5.754 ( -0.000 0.000 -0.000) 0.000 5.789 ( 0.000 -0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.859 ( -0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.166 ( -0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.213 ( -0.000 0.000 0.000) 0.000 6.411 ( 0.000 -0.000 -0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.462 ( -0.000 0.000 0.000) 0.000 6.462 ( -0.000 0.000 0.000) 0.000 6.935 ( -0.000 -0.000 0.000) 0.000 6.935 ( -0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.318 ( -0.000 0.000 0.000) 0.000 7.318 ( -0.000 0.000 0.000) 0.000 7.614 ( -0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.982 ( -0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 -0.000) 0.000 8.360 ( -0.000 0.000 0.000) 0.000 8.410 ( -0.000 0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 -0.000 -0.000) 0.000 8.664 ( -0.000 0.000 -0.000) 0.000 8.693 ( 0.000 -0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 -0.000 0.000) 0.000 8.809 ( 0.000 0.000 -0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.007 ( -0.000 0.000 0.000) 0.000 9.141 ( 0.000 -0.000 -0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.380 ( -0.000 0.000 0.000) 0.000 9.380 ( -0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.731 ( -0.000 -0.000 0.000) 0.000 9.731 ( -0.000 0.000 0.000) 0.000 9.770 ( -0.000 -0.000 0.000) 0.000 9.770 ( -0.000 0.000 0.000) 0.000 9.901 ( -0.000 0.000 0.000) 0.000 9.901 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.327 ( 0.000 -0.000 -0.000) 0.000 10.327 ( -0.000 0.000 0.000) 0.000 11.280 ( -0.000 0.000 0.000) 0.000 11.280 ( -0.000 0.000 0.000) 0.000 11.308 ( -0.000 0.000 0.000) 0.000 11.308 ( 0.000 -0.000 0.000) 0.000 11.409 ( 0.000 0.000 0.000) 0.000 11.409 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 -0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 12.062 ( -0.000 0.000 0.000) 0.000 12.062 ( -0.000 0.000 0.000) 0.000 12.737 ( -0.000 0.000 0.000) 0.000 12.737 ( -0.000 0.000 0.000) 0.000 12.832 ( -0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 12.922 ( -0.000 0.000 0.000) 0.000 12.922 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 -0.000 -0.000) 0.000 13.124 ( -0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 -0.000) 0.000 13.128 ( -0.000 0.000 0.000) 0.000 13.300 ( -0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.751 ( -0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 13.976 ( -0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 15.346 ( 0.000 0.000 0.000) 0.000 15.346 ( 0.000 0.000 0.000) 0.000 15.409 ( -0.000 0.000 -0.000) 0.000 15.409 ( -0.000 0.000 0.000) 0.000 15.844 ( 0.000 -0.000 0.000) 0.000 15.844 ( 0.000 0.000 0.000) 0.000 15.911 ( -0.000 -0.000 0.000) 0.000 15.911 ( -0.000 0.000 0.000) 0.000 16.018 ( -0.000 0.000 -0.000) 0.000 16.018 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.537 ( -0.000 0.000 -0.000) 0.000 16.537 ( -0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.889 ( -0.000 0.000 0.000) 0.000 16.889 ( 0.000 0.000 0.000) 0.000 17.008 ( -0.000 0.000 0.000) 0.000 17.008 ( 0.000 0.000 0.000) 0.000 17.200 ( 0.000 0.000 0.000) 0.000 17.200 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.334 ( -0.000 0.000 0.000) 0.000 17.395 ( -0.000 0.000 0.000) 0.000 17.395 ( -0.000 0.000 0.000) 0.000 17.542 ( -0.000 0.000 0.000) 0.000 17.542 ( 0.000 0.000 0.000) 0.000 17.985 ( 0.000 0.000 0.000) 0.000 17.985 ( -0.000 0.000 0.000) 0.000 18.094 ( -0.000 0.000 0.000) 0.000 18.094 ( 0.000 0.000 0.000) 0.000 18.424 ( 0.000 0.000 0.000) 0.000 18.424 ( -0.000 0.000 0.000) 0.000 18.552 ( -0.000 0.000 0.000) 0.000 18.552 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.385 ( -0.000 0.000 0.000) 0.000 19.385 ( 0.000 0.000 0.000) 0.000 28.434 ( -0.000 0.000 0.000) 0.000 28.434 ( -0.000 0.000 0.000) 0.000 28.580 ( 0.000 0.000 0.000) 0.000 28.580 ( 0.000 0.000 0.000) 0.000 28.912 ( 0.000 0.000 0.000) 0.000 28.912 ( 0.000 0.000 0.000) 0.000 28.950 ( -0.000 -0.000 0.000) 0.000 28.950 ( -0.000 0.000 0.000) 0.000 29.601 ( 0.000 0.000 -0.000) 0.000 29.601 ( -0.000 0.000 0.000) 0.000 29.624 ( -0.000 0.000 -0.000) 0.000 29.624 ( 0.000 -0.000 0.000) 0.000 29.831 ( 0.000 0.000 -0.000) 0.000 29.831 ( -0.000 0.000 0.000) 0.000 29.888 ( -0.000 0.000 0.000) 0.000 29.888 ( 0.000 0.000 0.000) 0.000 30.229 ( -0.000 0.000 0.000) 0.000 30.229 ( 0.000 0.000 0.000) 0.000 30.336 ( -0.000 0.000 -0.000) 0.000 30.336 ( 0.000 0.000 0.000) 0.000 30.352 ( 0.000 -0.000 -0.000) 0.000 30.352 ( -0.000 0.000 0.000) 0.000 30.663 ( -0.000 0.000 0.000) 0.000 30.663 ( 0.000 0.000 0.000) 0.000 30.960 ( -0.000 0.000 0.000) 0.000 30.960 ( -0.000 0.000 0.000) 0.000 31.169 ( -0.000 0.000 -0.000) 0.000 31.169 ( 0.000 0.000 0.000) 0.000 31.234 ( -0.000 0.000 -0.000) 0.000 31.234 ( 0.000 0.000 0.000) 0.000 31.467 ( -0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 31.561 ( -0.000 0.000 0.000) 0.000 31.561 ( 0.000 0.000 0.000) 0.000 31.773 ( -0.000 0.000 0.000) 0.000 31.773 ( 0.000 0.000 0.000) 0.000 32.115 ( 0.000 0.000 0.000) 0.000 32.115 ( -0.000 0.000 0.000) 0.000 32.743 ( -0.000 0.000 0.000) 0.000 32.743 ( 0.000 0.000 0.000) 0.000 33.926 ( 0.000 -0.000 0.000) 0.000 33.926 ( -0.000 0.000 0.000) 0.000 34.217 ( -0.000 0.000 0.000) 0.000 34.217 ( 0.000 0.000 0.000) 0.000 34.940 ( -0.000 0.000 -0.000) 0.000 34.940 ( 0.000 0.000 0.000) 0.000 35.543 ( 0.000 0.000 0.000) 0.000 35.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 126 (58/60) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -3.034 -16.527 -4.768) 17.467 1.549 ( -3.034 16.527 -4.768) 17.467 2.064 ( 1.190 -4.300 2.399) 5.065 2.064 ( 1.190 4.300 2.399) 5.065 2.155 ( 2.672 -14.003 -3.866) 14.771 2.155 ( 2.672 14.003 -3.866) 14.771 2.349 ( 4.648 -1.559 4.706) 6.796 2.349 ( 4.648 1.559 4.706) 6.796 2.593 ( -1.811 -3.774 6.624) 7.836 2.593 ( -1.811 3.774 6.624) 7.836 2.929 ( -0.012 -2.155 8.294) 8.569 2.929 ( -0.012 2.155 8.294) 8.569 2.993 ( -1.478 -1.776 -4.255) 4.842 2.993 ( -1.478 1.776 -4.255) 4.842 3.106 ( -6.343 -5.320 -4.683) 9.512 3.106 ( -6.343 5.320 -4.683) 9.512 3.342 ( 0.421 -9.297 -3.365) 9.896 3.342 ( 0.421 9.297 -3.365) 9.896 3.496 ( 0.896 -4.616 -1.276) 4.872 3.496 ( 0.896 4.616 -1.276) 4.872 3.642 ( -5.533 -4.498 -3.907) 8.131 3.642 ( -5.533 4.498 -3.907) 8.131 3.823 ( 5.333 -7.778 4.309) 10.368 3.823 ( 5.333 7.778 4.309) 10.368 4.041 ( 1.725 -3.624 3.780) 5.513 4.041 ( 1.725 3.624 3.780) 5.513 4.163 ( -8.369 -0.301 -4.787) 9.646 4.163 ( -8.369 0.301 -4.787) 9.646 4.327 ( 8.488 -6.447 -2.367) 10.918 4.327 ( 8.488 6.447 -2.367) 10.918 4.499 ( -3.224 -7.417 1.226) 8.179 4.499 ( -3.224 7.417 1.226) 8.179 4.752 ( 3.925 -2.502 -1.548) 4.906 4.752 ( 3.925 2.502 -1.548) 4.906 4.851 ( -2.179 -2.482 1.311) 3.553 4.851 ( -2.179 2.482 1.311) 3.553 5.006 ( 5.192 -5.657 5.391) 9.382 5.006 ( 5.192 5.657 5.391) 9.382 5.180 ( -0.383 -7.147 -2.720) 7.657 5.180 ( -0.383 7.147 -2.720) 7.657 5.332 ( 1.287 -6.114 4.323) 7.598 5.332 ( 1.287 6.114 4.323) 7.598 5.516 ( -1.907 -7.890 -7.485) 11.041 5.516 ( -1.907 7.890 -7.485) 11.041 5.587 ( -1.516 -5.086 -6.518) 8.405 5.587 ( -1.516 5.086 -6.518) 8.405 5.681 ( -4.619 -3.001 -2.664) 6.119 5.681 ( -4.619 3.001 -2.664) 6.119 5.823 ( -0.301 -0.447 0.198) 0.574 5.823 ( -0.301 0.447 0.198) 0.574 5.914 ( 5.528 -7.737 -0.867) 9.548 5.914 ( 5.528 7.737 -0.867) 9.548 6.127 ( -2.293 -1.874 -1.986) 3.565 6.127 ( -2.293 1.874 -1.986) 3.565 6.264 ( 2.559 -4.704 4.901) 7.259 6.264 ( 2.559 4.704 4.901) 7.259 6.388 ( -1.856 -1.525 2.129) 3.209 6.388 ( -1.856 1.525 2.129) 3.209 6.639 ( 9.694 -3.251 5.874) 11.792 6.639 ( 9.694 3.251 5.874) 11.792 6.922 ( -3.661 -3.185 5.123) 7.057 6.922 ( -3.661 3.185 5.123) 7.057 7.016 ( 3.296 -5.331 1.164) 6.375 7.016 ( 3.296 5.331 1.164) 6.375 7.309 ( 2.050 -7.289 -3.591) 8.380 7.309 ( 2.050 7.289 -3.591) 8.380 7.623 ( 0.409 -4.164 -1.570) 4.469 7.623 ( 0.409 4.164 -1.570) 4.469 7.837 ( 0.572 -5.294 4.637) 7.061 7.837 ( 0.572 5.294 4.637) 7.061 8.059 ( 3.615 -7.630 2.231) 8.732 8.059 ( 3.615 7.630 2.231) 8.732 8.276 ( -6.342 -2.126 -1.279) 6.810 8.276 ( -6.342 2.126 -1.279) 6.810 8.399 ( -0.677 -2.154 -1.155) 2.537 8.399 ( -0.677 2.154 -1.155) 2.537 8.626 ( -0.267 -4.117 -1.110) 4.273 8.626 ( -0.267 4.117 -1.110) 4.273 8.706 ( -0.698 -4.224 -1.131) 4.428 8.706 ( -0.698 4.224 -1.131) 4.428 8.836 ( 2.696 -4.104 -0.426) 4.928 8.836 ( 2.696 4.104 -0.426) 4.928 8.975 ( 1.949 -8.867 -6.243) 11.018 8.975 ( 1.949 8.867 -6.243) 11.018 9.119 ( -3.272 -7.733 3.842) 9.233 9.119 ( -3.272 7.733 3.842) 9.233 9.357 ( -1.589 -4.333 -2.331) 5.170 9.357 ( -1.589 4.333 -2.331) 5.170 9.515 ( -4.600 -2.976 -0.149) 5.481 9.515 ( -4.600 2.976 -0.149) 5.481 9.678 ( -4.586 -3.592 -0.226) 5.829 9.678 ( -4.586 3.592 -0.226) 5.829 9.745 ( -0.804 -4.268 -1.079) 4.475 9.745 ( -0.804 4.268 -1.079) 4.475 9.949 ( 4.342 -1.789 -0.406) 4.713 9.949 ( 4.342 1.789 -0.406) 4.713 10.232 ( -6.564 -7.307 3.672) 10.486 10.232 ( -6.564 7.307 3.672) 10.486 10.312 ( -2.075 -4.749 -0.558) 5.213 10.312 ( -2.075 4.749 -0.558) 5.213 11.264 ( -1.025 -2.051 0.674) 2.390 11.264 ( -1.025 2.051 0.674) 2.390 11.327 ( 1.097 -3.244 -0.493) 3.459 11.327 ( 1.097 3.244 -0.493) 3.459 11.402 ( -0.109 -2.912 -1.007) 3.083 11.402 ( -0.109 2.912 -1.007) 3.083 11.621 ( 2.496 -0.466 0.513) 2.590 11.621 ( 2.496 0.466 0.513) 2.590 11.930 ( -1.405 -1.649 -0.480) 2.219 11.930 ( -1.405 1.649 -0.480) 2.219 12.077 ( -0.072 -1.694 2.025) 2.641 12.077 ( -0.072 1.694 2.025) 2.641 12.724 ( -0.892 -2.732 -1.577) 3.279 12.724 ( -0.892 2.732 -1.577) 3.279 12.831 ( 1.211 -2.307 0.581) 2.669 12.831 ( 1.211 2.307 0.581) 2.669 12.956 ( 0.685 -2.862 3.213) 4.357 12.956 ( 0.685 2.862 3.213) 4.357 13.115 ( 0.803 -1.396 -2.193) 2.721 13.115 ( 0.803 1.396 -2.193) 2.721 13.157 ( 0.624 -0.530 2.003) 2.164 13.157 ( 0.624 0.530 2.003) 2.164 13.315 ( 1.121 -2.528 1.102) 2.976 13.315 ( 1.121 2.528 1.102) 2.976 13.723 ( -0.924 -2.275 -1.738) 3.009 13.723 ( -0.924 2.275 -1.738) 3.009 14.000 ( 0.898 -2.437 1.182) 2.854 14.000 ( 0.898 2.437 1.182) 2.854 15.323 ( -1.700 -1.858 -0.319) 2.539 15.323 ( -1.700 1.858 -0.319) 2.539 15.420 ( -1.576 -1.286 2.745) 3.417 15.420 ( -1.576 1.286 2.745) 3.417 15.835 ( 0.366 -3.364 -1.185) 3.585 15.835 ( 0.366 3.364 -1.185) 3.585 15.927 ( 1.406 -2.354 -1.898) 3.335 15.927 ( 1.406 2.354 -1.898) 3.335 16.005 ( -0.018 -1.414 -0.544) 1.516 16.005 ( -0.018 1.414 -0.544) 1.516 16.415 ( -0.435 -2.971 1.665) 3.433 16.415 ( -0.435 2.971 1.665) 3.433 16.458 ( -3.182 -2.095 -3.401) 5.107 16.458 ( -3.182 2.095 -3.401) 5.107 16.657 ( 0.763 -1.171 3.394) 3.670 16.657 ( 0.763 1.171 3.394) 3.670 16.912 ( 2.170 -2.561 -0.752) 3.439 16.912 ( 2.170 2.561 -0.752) 3.439 16.994 ( -0.644 -0.208 -0.102) 0.685 16.994 ( -0.644 0.208 -0.102) 0.685 17.205 ( 0.194 -1.027 1.292) 1.662 17.205 ( 0.194 1.027 1.292) 1.662 17.318 ( -0.593 -1.696 -1.595) 2.402 17.318 ( -0.593 1.696 -1.595) 2.402 17.400 ( 0.385 -0.325 0.201) 0.542 17.400 ( 0.385 0.325 0.201) 0.542 17.560 ( 1.576 -0.437 0.516) 1.715 17.560 ( 1.576 0.437 0.516) 1.715 17.991 ( -0.088 -1.868 0.549) 1.949 17.991 ( -0.088 1.868 0.549) 1.949 18.093 ( -0.100 -1.237 -0.227) 1.262 18.093 ( -0.100 1.237 -0.227) 1.262 18.375 ( -1.317 -0.826 -3.184) 3.544 18.375 ( -1.317 0.826 -3.184) 3.544 18.573 ( 1.655 -1.092 -0.080) 1.984 18.573 ( 1.655 1.092 -0.080) 1.984 19.173 ( 0.288 -1.662 -0.610) 1.793 19.173 ( 0.288 1.662 -0.610) 1.793 19.387 ( -0.926 -4.247 1.054) 4.473 19.387 ( -0.926 4.247 1.054) 4.473 28.404 ( -1.876 -0.453 -1.631) 2.527 28.404 ( -1.876 0.453 -1.631) 2.527 28.578 ( 0.076 -0.607 -0.416) 0.740 28.578 ( 0.076 0.607 -0.416) 0.740 28.896 ( -1.231 -3.916 1.001) 4.225 28.896 ( -1.231 3.916 1.001) 4.225 29.004 ( 3.689 -3.999 0.769) 5.495 29.004 ( 3.689 3.999 0.769) 5.495 29.548 ( -1.470 -0.721 -2.770) 3.218 29.548 ( -1.470 0.721 -2.770) 3.218 29.648 ( -1.454 -4.906 3.217) 6.044 29.648 ( -1.454 4.906 3.217) 6.044 29.819 ( -0.841 -2.154 0.211) 2.322 29.819 ( -0.841 2.154 0.211) 2.322 29.893 ( 0.850 -0.977 -0.396) 1.354 29.893 ( 0.850 0.977 -0.396) 1.354 30.237 ( -0.497 -0.849 0.183) 1.001 30.237 ( -0.497 0.849 0.183) 1.001 30.311 ( 0.349 -2.292 -1.313) 2.664 30.311 ( 0.349 2.292 -1.313) 2.664 30.421 ( 5.272 -7.332 0.342) 9.037 30.421 ( 5.272 7.332 0.342) 9.037 30.681 ( 1.105 -1.707 0.577) 2.113 30.681 ( 1.105 1.707 0.577) 2.113 30.938 ( -2.833 -3.956 1.487) 5.088 30.938 ( -2.833 3.956 1.487) 5.088 31.098 ( -0.798 -2.598 -4.481) 5.240 31.098 ( -0.798 2.598 -4.481) 5.240 31.330 ( 0.850 -0.615 4.432) 4.555 31.330 ( 0.850 0.615 4.432) 4.555 31.486 ( 1.189 -4.716 0.618) 4.902 31.486 ( 1.189 4.716 0.618) 4.902 31.566 ( 3.986 -3.472 0.577) 5.318 31.566 ( 3.986 3.472 0.577) 5.318 31.789 ( 0.251 -2.107 0.242) 2.135 31.789 ( 0.251 2.107 0.242) 2.135 32.094 ( -1.612 -1.161 -0.013) 1.987 32.094 ( -1.612 1.161 -0.013) 1.987 32.750 ( -0.082 -1.401 1.254) 1.883 32.750 ( -0.082 1.401 1.254) 1.883 33.930 ( 0.669 -11.934 1.549) 12.053 33.930 ( 0.669 11.934 1.549) 12.053 34.308 ( 6.307 -7.631 3.115) 10.379 34.308 ( 6.307 7.631 3.115) 10.379 34.815 ( -9.450 -4.770 -6.140) 12.237 34.815 ( -9.450 4.770 -6.140) 12.237 35.529 ( -0.598 -8.110 -1.487) 8.267 35.529 ( -0.598 8.110 -1.487) 8.267 ======================= Grid point 128 (59/60) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 8.899 -14.713 2.594) 17.389 1.598 ( 8.899 14.713 2.594) 17.389 2.070 ( -3.623 -18.443 5.614) 19.616 2.070 ( -3.623 18.443 5.614) 19.616 2.181 ( 3.104 -12.006 0.931) 12.435 2.181 ( 3.104 12.006 0.931) 12.435 2.432 ( 4.003 -1.730 -6.853) 8.123 2.432 ( 4.003 1.730 -6.853) 8.123 2.701 ( 1.630 -3.477 10.388) 11.076 2.701 ( 1.630 3.477 10.388) 11.076 2.799 ( -7.068 -6.654 -2.882) 10.126 2.799 ( -7.068 6.654 -2.882) 10.126 2.939 ( -5.058 -5.949 -2.530) 8.208 2.939 ( -5.058 5.949 -2.530) 8.208 3.099 ( -5.383 -6.614 -3.922) 9.387 3.099 ( -5.383 6.614 -3.922) 9.387 3.261 ( 0.457 -6.308 0.287) 6.331 3.261 ( 0.457 6.308 0.287) 6.331 3.424 ( -3.175 -3.224 3.210) 5.547 3.424 ( -3.175 3.224 3.210) 5.547 3.538 ( 0.877 -6.147 -8.825) 10.791 3.538 ( 0.877 6.147 -8.825) 10.791 3.903 ( 4.938 -4.525 -2.224) 7.058 3.903 ( 4.938 4.525 -2.224) 7.058 3.994 ( -5.505 -4.818 0.242) 7.320 3.994 ( -5.505 4.818 0.242) 7.320 4.167 ( 0.401 -7.669 1.517) 7.828 4.167 ( 0.401 7.669 1.517) 7.828 4.410 ( -4.995 -6.613 1.092) 8.359 4.410 ( -4.995 6.613 1.092) 8.359 4.543 ( 7.143 -5.147 4.010) 9.675 4.543 ( 7.143 5.147 4.010) 9.675 4.718 ( 2.607 -3.736 -0.736) 4.614 4.718 ( 2.607 3.736 -0.736) 4.614 4.882 ( 3.668 -0.769 -5.225) 6.430 4.882 ( 3.668 0.769 -5.225) 6.430 5.090 ( 4.057 -2.304 0.212) 4.670 5.090 ( 4.057 2.304 0.212) 4.670 5.158 ( -5.581 -6.206 4.919) 9.688 5.158 ( -5.581 6.206 4.919) 9.688 5.305 ( 0.008 -7.964 -9.764) 12.600 5.305 ( 0.008 7.964 -9.764) 12.600 5.454 ( -3.728 -4.373 -3.905) 6.948 5.454 ( -3.728 4.373 -3.905) 6.948 5.526 ( 0.640 -4.642 4.060) 6.200 5.526 ( 0.640 4.642 4.060) 6.200 5.658 ( 3.319 -4.409 -0.793) 5.575 5.658 ( 3.319 4.409 -0.793) 5.575 5.826 ( 2.998 -2.088 -0.089) 3.655 5.826 ( 2.998 2.088 -0.089) 3.655 5.968 ( 0.539 -2.682 1.034) 2.924 5.968 ( 0.539 2.682 1.034) 2.924 6.096 ( 0.171 -2.739 -1.069) 2.945 6.096 ( 0.171 2.739 -1.069) 2.945 6.319 ( -3.561 -3.925 4.875) 7.201 6.319 ( -3.561 3.925 4.875) 7.201 6.396 ( 3.103 -0.614 -1.414) 3.465 6.396 ( 3.103 0.614 -1.414) 3.465 6.822 ( 4.569 -2.295 1.963) 5.477 6.822 ( 4.569 2.295 1.963) 5.477 6.947 ( -1.348 -0.276 6.395) 6.541 6.947 ( -1.348 0.276 6.395) 6.541 7.096 ( 2.450 -5.144 3.048) 6.461 7.096 ( 2.450 5.144 3.048) 6.461 7.302 ( 2.633 -9.497 -4.542) 10.852 7.302 ( 2.633 9.497 -4.542) 10.852 7.613 ( -0.145 -1.701 0.463) 1.768 7.613 ( -0.145 1.701 0.463) 1.768 7.925 ( 2.693 -5.138 3.228) 6.639 7.925 ( 2.693 5.138 3.228) 6.639 8.019 ( -4.561 -6.529 -3.693) 8.779 8.019 ( -4.561 6.529 -3.693) 8.779 8.270 ( 3.916 -4.645 2.867) 6.718 8.270 ( 3.916 4.645 2.867) 6.718 8.369 ( 0.223 -3.142 -0.388) 3.174 8.369 ( 0.223 3.142 -0.388) 3.174 8.630 ( -1.522 -7.156 -3.531) 8.124 8.630 ( -1.522 7.156 -3.531) 8.124 8.686 ( 1.345 -6.546 3.816) 7.696 8.686 ( 1.345 6.546 3.816) 7.696 8.864 ( 1.421 -4.277 -1.357) 4.706 8.864 ( 1.421 4.277 -1.357) 4.706 8.963 ( 2.191 -5.503 -3.374) 6.817 8.963 ( 2.191 5.503 -3.374) 6.817 9.126 ( -1.917 -7.846 4.661) 9.325 9.126 ( -1.917 7.846 4.661) 9.325 9.277 ( -3.473 -5.240 -4.348) 7.643 9.277 ( -3.473 5.240 -4.348) 7.643 9.395 ( -7.401 -5.428 1.497) 9.299 9.395 ( -7.401 5.428 1.497) 9.299 9.601 ( -3.993 -4.088 -1.410) 5.886 9.601 ( -3.993 4.088 -1.410) 5.886 9.742 ( 1.031 -4.586 0.263) 4.708 9.742 ( 1.031 4.586 0.263) 4.708 9.992 ( 1.366 -2.456 -1.590) 3.229 9.992 ( 1.366 2.456 -1.590) 3.229 10.146 ( -7.133 -5.545 1.964) 9.245 10.146 ( -7.133 5.545 1.964) 9.245 10.248 ( -3.578 -3.090 -0.724) 4.782 10.248 ( -3.578 3.090 -0.724) 4.782 11.269 ( -0.338 -2.540 1.901) 3.191 11.269 ( -0.338 2.540 1.901) 3.191 11.324 ( 0.097 -2.583 -1.240) 2.867 11.324 ( 0.097 2.583 -1.240) 2.867 11.384 ( -0.012 -3.516 -1.871) 3.983 11.384 ( -0.012 3.516 -1.871) 3.983 11.676 ( 2.422 -1.202 0.937) 2.862 11.676 ( 2.422 1.202 0.937) 2.862 11.906 ( -0.866 -2.539 0.019) 2.682 11.906 ( -0.866 2.539 0.019) 2.682 12.100 ( -0.211 -1.055 2.221) 2.468 12.100 ( -0.211 1.055 2.221) 2.468 12.701 ( 0.217 -1.780 -0.115) 1.797 12.701 ( 0.217 1.780 -0.115) 1.797 12.868 ( 1.393 -1.209 0.505) 1.913 12.868 ( 1.393 1.209 0.505) 1.913 12.990 ( -0.826 -1.566 0.597) 1.868 12.990 ( -0.826 1.566 0.597) 1.868 13.098 ( 0.424 -2.740 -0.846) 2.899 13.098 ( 0.424 2.740 -0.846) 2.899 13.179 ( 0.556 -0.653 0.198) 0.880 13.179 ( 0.556 0.653 0.198) 0.880 13.353 ( 1.343 -3.352 1.031) 3.756 13.353 ( 1.343 3.352 1.031) 3.756 13.716 ( 1.175 -1.791 0.984) 2.357 13.716 ( 1.175 1.791 0.984) 2.357 13.999 ( -1.109 -2.389 -1.800) 3.190 13.999 ( -1.109 2.389 -1.800) 3.190 15.295 ( -1.540 -2.913 0.289) 3.308 15.295 ( -1.540 2.913 0.289) 3.308 15.403 ( -3.380 -1.105 1.684) 3.935 15.403 ( -3.380 1.105 1.684) 3.935 15.830 ( 1.220 -2.740 -2.175) 3.705 15.830 ( 1.220 2.740 -2.175) 3.705 15.897 ( -0.782 -1.752 -2.737) 3.342 15.897 ( -0.782 1.752 -2.737) 3.342 16.028 ( 1.806 -1.959 1.170) 2.910 16.028 ( 1.806 1.959 1.170) 2.910 16.357 ( -2.903 -1.049 -3.793) 4.890 16.357 ( -2.903 1.049 -3.793) 4.890 16.447 ( 0.323 -2.441 2.598) 3.580 16.447 ( 0.323 2.441 2.598) 3.580 16.687 ( -0.354 -1.386 1.681) 2.207 16.687 ( -0.354 1.386 1.681) 2.207 16.898 ( -0.897 -1.153 -1.999) 2.476 16.898 ( -0.897 1.153 -1.999) 2.476 17.017 ( 1.932 -1.797 0.394) 2.668 17.017 ( 1.932 1.797 0.394) 2.668 17.249 ( 1.816 -1.436 2.780) 3.617 17.249 ( 1.816 1.436 2.780) 3.617 17.285 ( -0.731 -2.530 -1.922) 3.260 17.285 ( -0.731 2.530 -1.922) 3.260 17.413 ( 0.371 -0.913 1.259) 1.599 17.413 ( 0.371 0.913 1.259) 1.599 17.582 ( 0.352 -0.965 -0.512) 1.147 17.582 ( 0.352 0.965 -0.512) 1.147 17.994 ( 0.245 -0.798 0.232) 0.867 17.994 ( 0.245 0.798 0.232) 0.867 18.076 ( -1.129 -1.518 -0.852) 2.075 18.076 ( -1.129 1.518 -0.852) 2.075 18.365 ( 2.141 -1.403 0.492) 2.607 18.365 ( 2.141 1.403 0.492) 2.607 18.593 ( 1.121 -0.497 -0.744) 1.434 18.593 ( 1.121 0.497 -0.744) 1.434 19.180 ( 0.943 -2.018 -0.094) 2.230 19.180 ( 0.943 2.018 -0.094) 2.230 19.367 ( -2.177 -4.504 0.035) 5.003 19.367 ( -2.177 4.504 0.035) 5.003 28.358 ( -1.148 -0.409 -1.238) 1.737 28.358 ( -1.148 0.409 -1.238) 1.737 28.574 ( 0.120 -0.701 -0.520) 0.881 28.574 ( 0.120 0.701 -0.520) 0.881 28.890 ( -1.186 -4.104 0.973) 4.381 28.890 ( -1.186 4.104 0.973) 4.381 29.064 ( 2.247 -2.957 0.606) 3.763 29.064 ( 2.247 2.957 0.606) 3.763 29.511 ( -0.807 -1.562 -0.441) 1.813 29.511 ( -0.807 1.562 -0.441) 1.813 29.653 ( -0.767 -3.316 1.426) 3.691 29.653 ( -0.767 3.316 1.426) 3.691 29.820 ( -0.520 -2.289 1.675) 2.884 29.820 ( -0.520 2.289 1.675) 2.884 29.902 ( 1.130 -1.090 -1.390) 2.097 29.902 ( 1.130 1.090 -1.390) 2.097 30.211 ( -1.957 -1.773 -0.034) 2.640 30.211 ( -1.957 1.773 -0.034) 2.640 30.305 ( 0.596 -0.790 -1.855) 2.102 30.305 ( 0.596 0.790 -1.855) 2.102 30.513 ( 5.216 -4.495 -0.349) 6.894 30.513 ( 5.216 4.495 -0.349) 6.894 30.701 ( 0.717 -4.391 -0.356) 4.463 30.701 ( 0.717 4.391 -0.356) 4.463 30.904 ( -0.979 -2.348 -2.273) 3.411 30.904 ( -0.979 2.348 -2.273) 3.411 31.076 ( 2.698 -4.991 -0.219) 5.678 31.076 ( 2.698 4.991 -0.219) 5.678 31.304 ( -6.231 -2.046 3.491) 7.430 31.304 ( -6.231 2.046 3.491) 7.430 31.552 ( 1.504 -4.261 -0.896) 4.606 31.552 ( 1.504 4.261 -0.896) 4.606 31.651 ( 1.689 -2.424 4.164) 5.105 31.651 ( 1.689 2.424 4.164) 5.105 31.808 ( 4.031 -1.459 -0.372) 4.303 31.808 ( 4.031 1.459 -0.372) 4.303 32.088 ( -0.276 -0.990 2.212) 2.439 32.088 ( -0.276 0.990 2.212) 2.439 32.764 ( -0.351 -1.762 1.621) 2.420 32.764 ( -0.351 1.762 1.621) 2.420 34.001 ( 5.274 -10.831 1.376) 12.125 34.001 ( 5.274 10.831 1.376) 12.125 34.378 ( -2.554 -3.142 -5.593) 6.905 34.378 ( -2.554 3.142 -5.593) 6.905 34.598 ( -5.261 -4.155 0.662) 6.736 34.598 ( -5.261 4.155 0.662) 6.736 35.493 ( -1.255 -7.995 -1.739) 8.278 35.493 ( -1.255 7.995 -1.739) 8.278 ======================= Grid point 130 (60/60) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 6.779 -6.212 4.125) 10.078 1.794 ( 6.779 6.212 4.125) 10.078 2.102 ( -1.542 -13.476 0.930) 13.595 2.102 ( -1.542 13.476 0.930) 13.595 2.229 ( 0.465 -6.501 2.766) 7.080 2.229 ( 0.465 6.501 2.766) 7.080 2.439 ( 3.887 -2.886 0.267) 4.848 2.439 ( 3.887 2.886 0.267) 4.848 2.628 ( -6.426 -3.989 -2.021) 7.829 2.628 ( -6.426 3.989 -2.021) 7.829 2.691 ( -1.686 -8.234 -6.514) 10.633 2.691 ( -1.686 8.234 -6.514) 10.633 2.853 ( -3.464 -5.487 -1.628) 6.690 2.853 ( -3.464 5.487 -1.628) 6.690 3.101 ( 3.509 -4.219 4.141) 6.875 3.101 ( 3.509 4.219 4.141) 6.875 3.215 ( -2.273 -1.193 -2.833) 3.823 3.215 ( -2.273 1.193 -2.833) 3.823 3.418 ( 2.299 -2.594 1.716) 3.868 3.418 ( 2.299 2.594 1.716) 3.868 3.559 ( -1.401 -8.741 1.504) 8.980 3.559 ( -1.401 8.741 1.504) 8.980 3.851 ( -3.996 -3.257 -1.696) 5.427 3.851 ( -3.996 3.257 -1.696) 5.427 4.021 ( 6.548 -4.373 -1.276) 7.977 4.021 ( 6.548 4.373 -1.276) 7.977 4.129 ( -3.677 -3.939 1.043) 5.488 4.129 ( -3.677 3.939 1.043) 5.488 4.333 ( -2.593 -3.330 -1.965) 4.655 4.333 ( -2.593 3.330 -1.965) 4.655 4.541 ( -3.373 -2.311 -0.713) 4.150 4.541 ( -3.373 2.311 -0.713) 4.150 4.875 ( 2.979 -1.503 -0.871) 3.449 4.875 ( 2.979 1.503 -0.871) 3.449 4.932 ( 11.132 -4.183 1.032) 11.936 4.932 ( 11.132 4.183 1.032) 11.936 5.062 ( -5.208 -3.727 0.977) 6.478 5.062 ( -5.208 3.727 0.977) 6.478 5.125 ( -1.994 -5.384 -2.520) 6.269 5.125 ( -1.994 5.384 -2.520) 6.269 5.259 ( 0.019 -0.911 1.400) 1.671 5.259 ( 0.019 0.911 1.400) 1.671 5.388 ( 0.043 -4.758 -2.555) 5.400 5.388 ( 0.043 4.758 -2.555) 5.400 5.581 ( 1.734 -5.770 2.306) 6.451 5.581 ( 1.734 5.770 2.306) 6.451 5.638 ( -2.256 -0.178 -2.077) 3.071 5.638 ( -2.256 0.178 -2.077) 3.071 5.921 ( 3.331 -0.701 0.466) 3.436 5.921 ( 3.331 0.701 0.466) 3.436 5.988 ( 1.662 -0.309 0.851) 1.893 5.988 ( 1.662 0.309 0.851) 1.893 6.075 ( -1.517 -1.462 -0.354) 2.136 6.075 ( -1.517 1.462 -0.354) 2.136 6.295 ( -2.971 -1.795 2.206) 4.113 6.295 ( -2.971 1.795 2.206) 4.113 6.466 ( 4.018 -0.182 1.349) 4.242 6.466 ( 4.018 0.182 1.349) 4.242 6.820 ( -2.241 -2.693 -2.247) 4.162 6.820 ( -2.241 2.693 -2.247) 4.162 7.008 ( 1.637 -2.161 1.777) 3.242 7.008 ( 1.637 2.161 1.777) 3.242 7.140 ( -0.417 -1.183 1.768) 2.168 7.140 ( -0.417 1.183 1.768) 2.168 7.307 ( 1.589 -4.205 -1.166) 4.644 7.307 ( 1.589 4.205 -1.166) 4.644 7.600 ( -1.182 -1.003 -0.560) 1.648 7.600 ( -1.182 1.003 -0.560) 1.648 7.937 ( 0.710 -3.656 -1.248) 3.928 7.937 ( 0.710 3.656 -1.248) 3.928 8.017 ( 1.351 -2.237 2.103) 3.355 8.017 ( 1.351 2.237 2.103) 3.355 8.350 ( 2.346 -5.226 3.455) 6.689 8.350 ( 2.346 5.226 3.455) 6.689 8.428 ( 2.108 -3.447 -2.876) 4.960 8.428 ( 2.108 3.447 -2.876) 4.960 8.560 ( 1.294 -3.697 -0.793) 3.997 8.560 ( 1.294 3.697 -0.793) 3.997 8.757 ( -2.594 -8.021 6.602) 10.708 8.757 ( -2.594 8.021 6.602) 10.708 8.852 ( 1.275 -1.025 -2.406) 2.909 8.852 ( 1.275 1.025 -2.406) 2.909 8.912 ( -2.724 -7.359 -4.574) 9.083 8.912 ( -2.724 7.359 -4.574) 9.083 9.144 ( 1.278 -4.744 -0.461) 4.935 9.144 ( 1.278 4.744 -0.461) 4.935 9.186 ( -4.422 -3.771 1.720) 6.061 9.186 ( -4.422 3.771 1.720) 6.061 9.366 ( 0.326 -5.374 2.311) 5.859 9.366 ( 0.326 5.374 2.311) 5.859 9.512 ( -2.795 -4.832 -2.591) 6.154 9.512 ( -2.795 4.832 -2.591) 6.154 9.778 ( 1.395 -3.562 1.479) 4.101 9.778 ( 1.395 3.562 1.479) 4.101 9.958 ( -1.969 -2.778 -1.625) 3.773 9.958 ( -1.969 2.778 -1.625) 3.773 10.064 ( -2.785 -1.547 -0.154) 3.190 10.064 ( -2.785 1.547 -0.154) 3.190 10.204 ( -0.910 -1.013 -0.288) 1.392 10.204 ( -0.910 1.013 -0.288) 1.392 11.290 ( -0.671 -3.139 2.824) 4.275 11.290 ( -0.671 3.139 2.824) 4.275 11.309 ( 0.629 -2.689 -2.336) 3.617 11.309 ( 0.629 2.689 -2.336) 3.617 11.364 ( -0.077 -1.414 -0.970) 1.716 11.364 ( -0.077 1.414 -0.970) 1.716 11.712 ( 0.742 -0.658 0.441) 1.086 11.712 ( 0.742 0.658 0.441) 1.086 11.900 ( -0.081 -1.267 0.068) 1.272 11.900 ( -0.081 1.267 0.068) 1.272 12.117 ( -0.092 -0.342 1.022) 1.082 12.117 ( -0.092 0.342 1.022) 1.082 12.738 ( 2.320 -1.537 1.979) 3.415 12.738 ( 2.320 1.537 1.979) 3.415 12.858 ( -2.110 -2.241 -1.906) 3.620 12.858 ( -2.110 2.241 -1.906) 3.620 12.951 ( -0.871 -1.191 -0.944) 1.752 12.951 ( -0.871 1.191 -0.944) 1.752 13.121 ( 0.861 -1.198 0.679) 1.624 13.121 ( 0.861 1.198 0.679) 1.624 13.190 ( 0.701 -0.323 -0.162) 0.789 13.190 ( 0.701 0.323 -0.162) 0.789 13.372 ( 0.252 -1.590 0.039) 1.610 13.372 ( 0.252 1.590 0.039) 1.610 13.783 ( 2.613 -1.260 3.780) 4.765 13.783 ( 2.613 1.260 3.780) 4.765 13.926 ( -2.617 -1.695 -4.052) 5.113 13.926 ( -2.617 1.695 -4.052) 5.113 15.279 ( -0.666 -1.706 0.207) 1.843 15.279 ( -0.666 1.706 0.207) 1.843 15.365 ( -1.724 -0.401 0.233) 1.786 15.365 ( -1.724 0.401 0.233) 1.786 15.829 ( 1.303 -1.215 -1.511) 2.336 15.829 ( 1.303 1.215 -1.511) 2.336 15.858 ( -1.244 -0.811 -0.444) 1.550 15.858 ( -1.244 0.811 -0.444) 1.550 16.074 ( 1.435 -0.989 0.982) 2.001 16.074 ( 1.435 0.989 0.982) 2.001 16.281 ( -1.512 -0.240 -1.896) 2.437 16.281 ( -1.512 0.240 -1.896) 2.437 16.480 ( 0.459 -0.867 1.254) 1.592 16.480 ( 0.459 0.867 1.254) 1.592 16.694 ( -0.107 -0.741 0.436) 0.866 16.694 ( -0.107 0.741 0.436) 0.867 16.869 ( -0.478 -0.265 -0.659) 0.856 16.869 ( -0.478 0.265 -0.659) 0.856 17.040 ( 0.636 -1.221 -0.228) 1.395 17.040 ( 0.636 1.221 -0.228) 1.395 17.253 ( -0.500 -1.422 -0.923) 1.767 17.253 ( -0.500 1.422 -0.923) 1.767 17.302 ( 0.853 -0.896 1.025) 1.606 17.302 ( 0.853 0.896 1.025) 1.606 17.447 ( 0.860 -1.303 2.079) 2.600 17.447 ( 0.860 1.303 2.079) 2.600 17.561 ( -0.665 -1.262 -1.607) 2.149 17.561 ( -0.665 1.262 -1.607) 2.149 18.011 ( 0.960 -0.468 0.915) 1.406 18.011 ( 0.960 0.468 0.915) 1.406 18.044 ( -1.331 -1.252 -0.863) 2.021 18.044 ( -1.331 1.252 -0.863) 2.021 18.423 ( 1.969 -0.909 1.329) 2.543 18.423 ( 1.969 0.909 1.329) 2.543 18.592 ( 0.025 -0.751 -0.693) 1.022 18.592 ( 0.025 0.751 -0.693) 1.022 19.198 ( 0.789 -1.212 0.253) 1.468 19.198 ( 0.789 1.212 0.253) 1.468 19.327 ( -1.541 -2.156 -0.515) 2.700 19.327 ( -1.541 2.156 -0.515) 2.700 28.340 ( -0.154 -0.161 -0.296) 0.371 28.340 ( -0.154 0.161 -0.296) 0.371 28.570 ( 0.004 -0.385 -0.214) 0.440 28.570 ( 0.004 0.385 -0.214) 0.440 28.879 ( -0.707 -1.853 0.169) 1.991 28.879 ( -0.707 1.853 0.169) 1.991 29.092 ( 0.599 -1.015 0.269) 1.209 29.092 ( 0.599 1.015 0.269) 1.209 29.503 ( -0.153 -0.962 0.097) 0.979 29.503 ( -0.153 0.962 0.097) 0.979 29.659 ( -0.078 -1.066 0.561) 1.207 29.659 ( -0.078 1.066 0.561) 1.207 29.837 ( -0.181 -1.768 2.032) 2.700 29.837 ( -0.181 1.768 2.032) 2.700 29.890 ( 0.146 -0.377 -2.173) 2.210 29.890 ( 0.146 0.377 -2.173) 2.210 30.188 ( -0.682 -0.741 0.156) 1.019 30.188 ( -0.682 0.741 0.156) 1.019 30.290 ( -0.024 -0.484 -1.031) 1.139 30.290 ( -0.024 0.484 -1.031) 1.139 30.586 ( 3.553 -0.218 0.029) 3.560 30.586 ( 3.553 0.218 0.029) 3.560 30.678 ( -2.038 -3.954 -0.998) 4.559 30.678 ( -2.038 3.954 -0.998) 4.559 30.875 ( 0.533 -0.315 -1.575) 1.692 30.875 ( 0.533 0.315 -1.575) 1.692 31.177 ( 6.701 -5.297 0.859) 8.585 31.177 ( 6.701 5.297 0.859) 8.585 31.251 ( -4.194 -3.717 2.741) 6.238 31.251 ( -4.194 3.717 2.741) 6.238 31.472 ( -5.509 -3.582 -1.366) 6.712 31.472 ( -5.509 3.582 -1.366) 6.712 31.728 ( 2.186 -2.470 1.111) 3.481 31.728 ( 2.186 2.470 1.111) 3.481 31.869 ( 1.945 -0.917 0.007) 2.150 31.869 ( 1.945 0.917 0.007) 2.150 32.128 ( 0.773 -1.465 2.278) 2.816 32.128 ( 0.773 1.465 2.278) 2.816 32.773 ( -0.246 -0.854 0.737) 1.155 32.773 ( -0.246 0.854 0.737) 1.155 34.102 ( 6.356 -2.958 -2.549) 7.460 34.102 ( 6.356 2.958 -2.549) 7.460 34.189 ( -7.480 -3.800 -2.117) 8.652 34.189 ( -7.480 3.800 -2.117) 8.652 34.617 ( 0.146 -1.934 2.432) 3.111 34.617 ( 0.146 1.934 2.432) 3.111 35.457 ( -0.764 -3.128 -0.839) 3.328 35.457 ( -0.764 3.128 -0.839) 3.328 =================== 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 3/36288 10.0 332.753 226.243 216.064 0.000 16.915 0.000 3/36288 20.0 73.779 43.007 46.097 0.000 6.393 0.000 3/36288 30.0 30.260 18.106 19.223 0.000 2.749 0.000 3/36288 40.0 17.084 10.361 11.032 0.000 1.540 0.000 3/36288 50.0 11.407 6.973 7.460 0.000 1.006 0.000 3/36288 60.0 8.409 5.169 5.556 0.000 0.724 0.000 3/36288 70.0 6.603 4.079 4.400 0.000 0.557 0.000 3/36288 80.0 5.413 3.359 3.634 0.000 0.449 0.000 3/36288 90.0 4.576 2.852 3.092 0.000 0.375 0.000 3/36288 100.0 3.960 2.478 2.689 0.000 0.321 0.000 3/36288 110.0 3.488 2.192 2.379 0.000 0.280 0.000 3/36288 120.0 3.116 1.965 2.133 0.000 0.248 0.000 3/36288 130.0 2.816 1.781 1.934 0.000 0.223 0.000 3/36288 140.0 2.568 1.630 1.769 0.000 0.202 0.000 3/36288 150.0 2.361 1.502 1.630 0.000 0.185 0.000 3/36288 160.0 2.185 1.394 1.512 0.000 0.171 0.000 3/36288 170.0 2.034 1.300 1.410 0.000 0.158 0.000 3/36288 180.0 1.903 1.219 1.321 0.000 0.148 0.000 3/36288 190.0 1.788 1.148 1.243 0.000 0.138 0.000 3/36288 200.0 1.687 1.085 1.174 0.000 0.130 0.000 3/36288 210.0 1.596 1.029 1.112 0.000 0.123 0.000 3/36288 220.0 1.516 0.979 1.057 0.000 0.117 0.000 3/36288 230.0 1.444 0.933 1.008 0.000 0.111 0.000 3/36288 240.0 1.378 0.892 0.963 0.000 0.106 0.000 3/36288 250.0 1.319 0.855 0.922 0.000 0.101 0.000 3/36288 260.0 1.264 0.821 0.884 0.000 0.097 0.000 3/36288 270.0 1.215 0.790 0.850 0.000 0.093 0.000 3/36288 280.0 1.169 0.762 0.819 0.000 0.089 0.000 3/36288 290.0 1.127 0.735 0.789 0.000 0.086 0.000 3/36288 300.0 1.088 0.711 0.762 0.000 0.083 0.000 3/36288 310.0 1.052 0.688 0.737 0.000 0.080 0.000 3/36288 320.0 1.018 0.667 0.714 0.000 0.077 0.000 3/36288 330.0 0.987 0.647 0.692 0.000 0.075 0.000 3/36288 340.0 0.958 0.628 0.672 0.000 0.073 0.000 3/36288 350.0 0.930 0.611 0.653 0.000 0.070 0.000 3/36288 360.0 0.904 0.595 0.634 0.000 0.068 0.000 3/36288 370.0 0.880 0.579 0.617 0.000 0.067 0.000 3/36288 380.0 0.857 0.565 0.601 0.000 0.065 0.000 3/36288 390.0 0.835 0.551 0.586 0.000 0.063 0.000 3/36288 400.0 0.815 0.538 0.572 0.000 0.062 0.000 3/36288 410.0 0.795 0.526 0.558 0.000 0.060 0.000 3/36288 420.0 0.777 0.514 0.545 0.000 0.059 0.000 3/36288 430.0 0.759 0.503 0.533 0.000 0.057 0.000 3/36288 440.0 0.742 0.492 0.521 0.000 0.056 0.000 3/36288 450.0 0.726 0.482 0.510 0.000 0.055 0.000 3/36288 460.0 0.711 0.472 0.499 0.000 0.054 0.000 3/36288 470.0 0.696 0.462 0.489 0.000 0.052 0.000 3/36288 480.0 0.682 0.453 0.479 0.000 0.051 0.000 3/36288 490.0 0.669 0.445 0.469 0.000 0.050 0.000 3/36288 500.0 0.656 0.436 0.460 0.000 0.049 0.000 3/36288 510.0 0.643 0.429 0.451 0.000 0.048 0.000 3/36288 520.0 0.631 0.421 0.443 0.000 0.047 0.000 3/36288 530.0 0.620 0.413 0.435 0.000 0.047 0.000 3/36288 540.0 0.609 0.406 0.427 0.000 0.046 0.000 3/36288 550.0 0.598 0.399 0.420 0.000 0.045 0.000 3/36288 560.0 0.588 0.393 0.412 0.000 0.044 0.000 3/36288 570.0 0.578 0.386 0.405 0.000 0.043 0.000 3/36288 580.0 0.568 0.380 0.399 0.000 0.043 0.000 3/36288 590.0 0.559 0.374 0.392 0.000 0.042 0.000 3/36288 600.0 0.550 0.368 0.386 0.000 0.041 0.000 3/36288 610.0 0.541 0.363 0.380 0.000 0.041 0.000 3/36288 620.0 0.533 0.357 0.374 0.000 0.040 0.000 3/36288 630.0 0.525 0.352 0.368 0.000 0.039 0.000 3/36288 640.0 0.517 0.347 0.363 0.000 0.039 0.000 3/36288 650.0 0.509 0.342 0.357 0.000 0.038 0.000 3/36288 660.0 0.502 0.337 0.352 0.000 0.038 0.000 3/36288 670.0 0.495 0.332 0.347 0.000 0.037 0.000 3/36288 680.0 0.488 0.328 0.342 0.000 0.037 0.000 3/36288 690.0 0.481 0.323 0.337 0.000 0.036 0.000 3/36288 700.0 0.474 0.319 0.333 0.000 0.036 0.000 3/36288 710.0 0.468 0.315 0.328 0.000 0.035 0.000 3/36288 720.0 0.461 0.311 0.324 0.000 0.035 0.000 3/36288 730.0 0.455 0.307 0.319 0.000 0.034 0.000 3/36288 740.0 0.449 0.303 0.315 0.000 0.034 0.000 3/36288 750.0 0.444 0.299 0.311 0.000 0.033 0.000 3/36288 760.0 0.438 0.295 0.307 0.000 0.033 0.000 3/36288 770.0 0.432 0.292 0.303 0.000 0.032 0.000 3/36288 780.0 0.427 0.288 0.299 0.000 0.032 0.000 3/36288 790.0 0.422 0.285 0.296 0.000 0.032 0.000 3/36288 800.0 0.417 0.281 0.292 0.000 0.031 0.000 3/36288 810.0 0.412 0.278 0.289 0.000 0.031 0.000 3/36288 820.0 0.407 0.275 0.285 0.000 0.031 0.000 3/36288 830.0 0.402 0.272 0.282 0.000 0.030 0.000 3/36288 840.0 0.398 0.269 0.279 0.000 0.030 0.000 3/36288 850.0 0.393 0.266 0.276 0.000 0.030 0.000 3/36288 860.0 0.389 0.263 0.272 0.000 0.029 0.000 3/36288 870.0 0.384 0.260 0.269 0.000 0.029 0.000 3/36288 880.0 0.380 0.257 0.266 0.000 0.029 0.000 3/36288 890.0 0.376 0.254 0.263 0.000 0.028 0.000 3/36288 900.0 0.372 0.251 0.261 0.000 0.028 0.000 3/36288 910.0 0.368 0.249 0.258 0.000 0.028 0.000 3/36288 920.0 0.364 0.246 0.255 0.000 0.027 0.000 3/36288 930.0 0.360 0.244 0.252 0.000 0.027 0.000 3/36288 940.0 0.356 0.241 0.250 0.000 0.027 0.000 3/36288 950.0 0.353 0.239 0.247 0.000 0.027 0.000 3/36288 960.0 0.349 0.236 0.245 0.000 0.026 0.000 3/36288 970.0 0.346 0.234 0.242 0.000 0.026 0.000 3/36288 980.0 0.342 0.232 0.240 0.000 0.026 0.000 3/36288 990.0 0.339 0.230 0.237 0.000 0.025 0.000 3/36288 1000.0 0.336 0.227 0.235 0.000 0.025 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m764.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:15:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|