----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:25:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] 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 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.015286581149431 0.000000000000000 8.843303946096722 Atomic positions (fractional): *1 K 0.39106015272909 0.69187070858948 0.86996686023817 39.098 2 K 0.60893984727091 0.19187070858948 0.63003313976183 39.098 3 K 0.60893984727091 0.30812929141052 0.13003313976183 39.098 4 K 0.39106015272909 0.80812929141052 0.36996686023817 39.098 *5 Er 0.14022114514525 0.35778382139644 0.89731178442500 167.259 6 Er 0.85977885485475 0.85778382139644 0.60268821557500 167.259 7 Er 0.85977885485475 0.64221617860356 0.10268821557500 167.259 8 Er 0.14022114514525 0.14221617860356 0.39731178442500 167.259 *9 P 0.27281706491692 0.39381719168585 0.52673869020326 30.974 10 P 0.27281706491692 0.10618280831415 0.02673869020326 30.974 *11 P 0.82224909021029 0.46487182206923 0.80078239901570 30.974 12 P 0.17775090978971 0.96487182206923 0.69921760098430 30.974 13 P 0.82224909021029 0.03512817793077 0.30078239901570 30.974 14 P 0.17775090978971 0.53512817793077 0.19921760098430 30.974 15 P 0.72718293508308 0.60618280831415 0.47326130979674 30.974 16 P 0.72718293508308 0.89381719168585 0.97326130979674 30.974 *17 S 0.36613489116135 0.28679784144157 0.38452672348808 32.065 *18 S 0.00057083967906 0.05666885509853 0.67756511276833 32.065 *19 S 0.36807518765971 0.05795952259910 0.21868047907730 32.065 20 S 0.00057083967906 0.44333114490147 0.17756511276833 32.065 21 S 0.99942916032094 0.55666885509853 0.82243488723167 32.065 *22 S 0.08826906158203 0.17919709509022 0.08584053424950 32.065 *23 S 0.85507032711416 0.19458131344925 0.35665578125138 32.065 24 S 0.99942916032094 0.94333114490147 0.32243488723167 32.065 *25 S 0.24139159796893 0.55147331908399 0.42829740596774 32.065 26 S 0.24139159796893 0.94852668091601 0.92829740596774 32.065 27 S 0.14492967288584 0.80541868655075 0.64334421874862 32.065 28 S 0.63386510883865 0.78679784144157 0.11547327651192 32.065 29 S 0.63192481234029 0.55795952259910 0.28131952092270 32.065 30 S 0.63386510883865 0.71320215855843 0.61547327651192 32.065 31 S 0.36807518765971 0.44204047740090 0.71868047907730 32.065 *32 S 0.32989928373589 0.46856172976937 0.07014395394490 32.065 33 S 0.08826906158203 0.32080290490977 0.58584053424950 32.065 34 S 0.63192481234029 0.94204047740090 0.78131952092270 32.065 35 S 0.32989928373589 0.03143827023063 0.57014395394490 32.065 36 S 0.75860840203107 0.05147331908399 0.07170259403226 32.065 37 S 0.91173093841797 0.67919709509022 0.41415946575050 32.065 38 S 0.85507032711416 0.30541868655075 0.85665578125138 32.065 39 S 0.14492967288584 0.69458131344925 0.14334421874862 32.065 40 S 0.36613489116135 0.21320215855843 0.88452672348808 32.065 41 S 0.67010071626411 0.96856172976937 0.42985604605510 32.065 42 S 0.67010071626411 0.53143827023063 0.92985604605510 32.065 43 S 0.75860840203107 0.44852668091601 0.57170259403226 32.065 44 S 0.91173093841797 0.82080290490978 0.91415946575050 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.015286581149431 0.000000000000000 8.843303946096722 Atomic positions (fractional): *1 K 0.39106015272909 0.69187070858948 0.86996686023817 39.098 > 1 2 K 0.60893984727091 0.19187070858948 0.63003313976183 39.098 > 2 3 K 0.60893984727091 0.30812929141052 0.13003313976183 39.098 > 3 4 K 0.39106015272909 0.80812929141052 0.36996686023817 39.098 > 4 *5 Er 0.14022114514525 0.35778382139644 0.89731178442500 167.259 > 5 6 Er 0.85977885485475 0.85778382139644 0.60268821557500 167.259 > 6 7 Er 0.85977885485475 0.64221617860356 0.10268821557500 167.259 > 7 8 Er 0.14022114514525 0.14221617860356 0.39731178442500 167.259 > 8 *9 P 0.27281706491692 0.39381719168585 0.52673869020326 30.974 > 9 10 P 0.27281706491692 0.10618280831415 0.02673869020326 30.974 > 10 *11 P 0.82224909021029 0.46487182206923 0.80078239901570 30.974 > 11 12 P 0.17775090978971 0.96487182206923 0.69921760098430 30.974 > 12 13 P 0.82224909021029 0.03512817793077 0.30078239901570 30.974 > 13 14 P 0.17775090978971 0.53512817793077 0.19921760098430 30.974 > 14 15 P 0.72718293508308 0.60618280831415 0.47326130979674 30.974 > 15 16 P 0.72718293508308 0.89381719168585 0.97326130979674 30.974 > 16 *17 S 0.36613489116135 0.28679784144157 0.38452672348808 32.065 > 17 *18 S 0.00057083967906 0.05666885509853 0.67756511276833 32.065 > 18 *19 S 0.36807518765971 0.05795952259910 0.21868047907730 32.065 > 19 20 S 0.00057083967906 0.44333114490147 0.17756511276833 32.065 > 20 21 S 0.99942916032094 0.55666885509853 0.82243488723167 32.065 > 21 *22 S 0.08826906158203 0.17919709509022 0.08584053424950 32.065 > 22 *23 S 0.85507032711416 0.19458131344925 0.35665578125138 32.065 > 23 24 S 0.99942916032094 0.94333114490147 0.32243488723167 32.065 > 24 *25 S 0.24139159796893 0.55147331908399 0.42829740596774 32.065 > 25 26 S 0.24139159796893 0.94852668091601 0.92829740596774 32.065 > 26 27 S 0.14492967288584 0.80541868655075 0.64334421874862 32.065 > 27 28 S 0.63386510883865 0.78679784144157 0.11547327651192 32.065 > 28 29 S 0.63192481234029 0.55795952259910 0.28131952092270 32.065 > 29 30 S 0.63386510883865 0.71320215855843 0.61547327651192 32.065 > 30 31 S 0.36807518765971 0.44204047740090 0.71868047907730 32.065 > 31 *32 S 0.32989928373589 0.46856172976937 0.07014395394490 32.065 > 32 33 S 0.08826906158203 0.32080290490977 0.58584053424950 32.065 > 33 34 S 0.63192481234029 0.94204047740090 0.78131952092270 32.065 > 34 35 S 0.32989928373589 0.03143827023063 0.57014395394490 32.065 > 35 36 S 0.75860840203107 0.05147331908399 0.07170259403226 32.065 > 36 37 S 0.91173093841797 0.67919709509022 0.41415946575050 32.065 > 37 38 S 0.85507032711416 0.30541868655075 0.85665578125138 32.065 > 38 39 S 0.14492967288584 0.69458131344925 0.14334421874862 32.065 > 39 40 S 0.36613489116135 0.21320215855843 0.88452672348808 32.065 > 40 41 S 0.67010071626411 0.96856172976937 0.42985604605510 32.065 > 41 42 S 0.67010071626411 0.53143827023063 0.92985604605510 32.065 > 42 43 S 0.75860840203107 0.44852668091601 0.57170259403226 32.065 > 43 44 S 0.91173093841797 0.82080290490978 0.91415946575050 32.065 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.030573162298862 0.000000000000000 17.686607892193443 Atomic positions (fractional): *1 K 0.39106015272909 0.69187070858948 0.43498343011908 39.098 > 1 2 K 0.39106015272909 0.69187070858948 0.93498343011908 39.098 > 1 3 K 0.60893984727091 0.19187070858948 0.31501656988092 39.098 > 2 4 K 0.60893984727091 0.19187070858948 0.81501656988092 39.098 > 2 5 K 0.60893984727091 0.30812929141052 0.06501656988092 39.098 > 3 6 K 0.60893984727091 0.30812929141052 0.56501656988092 39.098 > 3 7 K 0.39106015272909 0.80812929141052 0.18498343011908 39.098 > 4 8 K 0.39106015272909 0.80812929141052 0.68498343011908 39.098 > 4 *9 Er 0.14022114514525 0.35778382139644 0.44865589221250 167.259 > 5 10 Er 0.14022114514525 0.35778382139644 0.94865589221250 167.259 > 5 11 Er 0.85977885485475 0.85778382139644 0.30134410778750 167.259 > 6 12 Er 0.85977885485475 0.85778382139644 0.80134410778750 167.259 > 6 13 Er 0.85977885485475 0.64221617860356 0.05134410778750 167.259 > 7 14 Er 0.85977885485475 0.64221617860356 0.55134410778750 167.259 > 7 15 Er 0.14022114514525 0.14221617860356 0.19865589221250 167.259 > 8 16 Er 0.14022114514525 0.14221617860356 0.69865589221250 167.259 > 8 *17 P 0.27281706491692 0.39381719168585 0.26336934510163 30.974 > 9 18 P 0.27281706491692 0.39381719168585 0.76336934510163 30.974 > 9 19 P 0.27281706491692 0.10618280831415 0.01336934510163 30.974 > 10 20 P 0.27281706491692 0.10618280831415 0.51336934510163 30.974 > 10 *21 P 0.82224909021029 0.46487182206923 0.40039119950785 30.974 > 11 22 P 0.82224909021029 0.46487182206923 0.90039119950785 30.974 > 11 23 P 0.17775090978971 0.96487182206923 0.34960880049215 30.974 > 12 24 P 0.17775090978971 0.96487182206923 0.84960880049215 30.974 > 12 25 P 0.82224909021029 0.03512817793077 0.15039119950785 30.974 > 13 26 P 0.82224909021029 0.03512817793077 0.65039119950785 30.974 > 13 27 P 0.17775090978971 0.53512817793077 0.09960880049215 30.974 > 14 28 P 0.17775090978971 0.53512817793077 0.59960880049215 30.974 > 14 29 P 0.72718293508308 0.60618280831415 0.23663065489837 30.974 > 15 30 P 0.72718293508308 0.60618280831415 0.73663065489837 30.974 > 15 31 P 0.72718293508308 0.89381719168585 0.48663065489837 30.974 > 16 32 P 0.72718293508308 0.89381719168585 0.98663065489837 30.974 > 16 *33 S 0.36613489116135 0.28679784144157 0.19226336174404 32.065 > 17 34 S 0.36613489116135 0.28679784144157 0.69226336174404 32.065 > 17 *35 S 0.00057083967906 0.05666885509853 0.33878255638417 32.065 > 18 36 S 0.00057083967906 0.05666885509853 0.83878255638417 32.065 > 18 *37 S 0.36807518765971 0.05795952259910 0.10934023953865 32.065 > 19 38 S 0.36807518765971 0.05795952259910 0.60934023953865 32.065 > 19 39 S 0.00057083967906 0.44333114490147 0.08878255638417 32.065 > 20 40 S 0.00057083967906 0.44333114490147 0.58878255638417 32.065 > 20 41 S 0.99942916032094 0.55666885509853 0.41121744361583 32.065 > 21 42 S 0.99942916032094 0.55666885509853 0.91121744361583 32.065 > 21 *43 S 0.08826906158203 0.17919709509022 0.04292026712475 32.065 > 22 44 S 0.08826906158203 0.17919709509022 0.54292026712475 32.065 > 22 *45 S 0.85507032711416 0.19458131344925 0.17832789062569 32.065 > 23 46 S 0.85507032711416 0.19458131344925 0.67832789062569 32.065 > 23 47 S 0.99942916032094 0.94333114490147 0.16121744361583 32.065 > 24 48 S 0.99942916032094 0.94333114490147 0.66121744361583 32.065 > 24 *49 S 0.24139159796893 0.55147331908399 0.21414870298387 32.065 > 25 50 S 0.24139159796893 0.55147331908399 0.71414870298387 32.065 > 25 51 S 0.24139159796893 0.94852668091601 0.46414870298387 32.065 > 26 52 S 0.24139159796893 0.94852668091601 0.96414870298387 32.065 > 26 53 S 0.14492967288584 0.80541868655075 0.32167210937431 32.065 > 27 54 S 0.14492967288584 0.80541868655075 0.82167210937431 32.065 > 27 55 S 0.63386510883865 0.78679784144157 0.05773663825596 32.065 > 28 56 S 0.63386510883865 0.78679784144157 0.55773663825596 32.065 > 28 57 S 0.63192481234029 0.55795952259910 0.14065976046135 32.065 > 29 58 S 0.63192481234029 0.55795952259910 0.64065976046135 32.065 > 29 59 S 0.63386510883865 0.71320215855843 0.30773663825596 32.065 > 30 60 S 0.63386510883865 0.71320215855843 0.80773663825596 32.065 > 30 61 S 0.36807518765971 0.44204047740090 0.35934023953865 32.065 > 31 62 S 0.36807518765971 0.44204047740090 0.85934023953865 32.065 > 31 *63 S 0.32989928373589 0.46856172976937 0.03507197697245 32.065 > 32 64 S 0.32989928373589 0.46856172976937 0.53507197697245 32.065 > 32 65 S 0.08826906158203 0.32080290490977 0.29292026712475 32.065 > 33 66 S 0.08826906158203 0.32080290490977 0.79292026712475 32.065 > 33 67 S 0.63192481234029 0.94204047740090 0.39065976046135 32.065 > 34 68 S 0.63192481234029 0.94204047740090 0.89065976046135 32.065 > 34 69 S 0.32989928373589 0.03143827023063 0.28507197697245 32.065 > 35 70 S 0.32989928373589 0.03143827023063 0.78507197697245 32.065 > 35 71 S 0.75860840203107 0.05147331908399 0.03585129701613 32.065 > 36 72 S 0.75860840203107 0.05147331908399 0.53585129701613 32.065 > 36 73 S 0.91173093841797 0.67919709509022 0.20707973287525 32.065 > 37 74 S 0.91173093841797 0.67919709509022 0.70707973287525 32.065 > 37 75 S 0.85507032711416 0.30541868655075 0.42832789062569 32.065 > 38 76 S 0.85507032711416 0.30541868655075 0.92832789062569 32.065 > 38 77 S 0.14492967288584 0.69458131344925 0.07167210937431 32.065 > 39 78 S 0.14492967288584 0.69458131344925 0.57167210937431 32.065 > 39 79 S 0.36613489116135 0.21320215855843 0.44226336174404 32.065 > 40 80 S 0.36613489116135 0.21320215855843 0.94226336174404 32.065 > 40 81 S 0.67010071626411 0.96856172976937 0.21492802302755 32.065 > 41 82 S 0.67010071626411 0.96856172976937 0.71492802302755 32.065 > 41 83 S 0.67010071626411 0.53143827023063 0.46492802302755 32.065 > 42 84 S 0.67010071626411 0.53143827023063 0.96492802302755 32.065 > 42 85 S 0.75860840203107 0.44852668091601 0.28585129701613 32.065 > 43 86 S 0.75860840203107 0.44852668091601 0.78585129701613 32.065 > 43 87 S 0.91173093841797 0.82080290490978 0.45707973287525 32.065 > 44 88 S 0.91173093841797 0.82080290490978 0.95707973287525 32.065 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4861041 0.0000000 0.1109794 0.0000000 5.2291347 0.0000000 0.1109807 0.0000000 5.9901656 -------------------------- Born effective charges -------------------------- 1 K 1.7701435 0.1443831 -0.0309986 -0.0426364 1.4511816 -0.0749828 -0.1230137 0.0284671 1.1728364 2 K 1.7701435 -0.1443831 -0.0309986 0.0426364 1.4511816 0.0749828 -0.1230137 -0.0284671 1.1728364 3 K 1.7701435 0.1443831 -0.0309986 -0.0426364 1.4511816 -0.0749828 -0.1230137 0.0284671 1.1728364 4 K 1.7701435 -0.1443831 -0.0309986 0.0426364 1.4511816 0.0749828 -0.1230137 -0.0284671 1.1728364 5 Er 2.4029942 -0.5008817 0.1572244 -0.8900133 3.0919823 0.1909442 0.2413829 -0.0740225 3.7753775 6 Er 2.4029942 0.5008817 0.1572244 0.8900133 3.0919823 -0.1909442 0.2413829 0.0740225 3.7753775 7 Er 2.4029942 -0.5008817 0.1572244 -0.8900133 3.0919823 0.1909442 0.2413829 -0.0740225 3.7753775 8 Er 2.4029942 0.5008817 0.1572244 0.8900133 3.0919823 -0.1909442 0.2413829 0.0740225 3.7753775 9 P 1.3972207 -0.0441593 0.0764284 0.1197107 2.7600122 0.0523891 0.1636619 -0.6589891 3.2644008 10 P 1.3972207 0.0441593 0.0764284 -0.1197107 2.7600122 -0.0523891 0.1636619 0.6589891 3.2644008 11 P 2.0917181 -0.5550407 -0.0028881 -0.6604436 2.2656347 -0.4212464 -0.0432715 0.9861221 2.9691480 12 P 2.0917181 0.5550407 -0.0028881 0.6604436 2.2656347 0.4212464 -0.0432715 -0.9861221 2.9691480 13 P 2.0917181 0.5550407 -0.0028881 0.6604436 2.2656347 0.4212464 -0.0432715 -0.9861221 2.9691480 14 P 2.0917181 -0.5550407 -0.0028881 -0.6604436 2.2656347 -0.4212464 -0.0432715 0.9861221 2.9691480 15 P 1.3972207 -0.0441593 0.0764284 0.1197107 2.7600122 0.0523891 0.1636619 -0.6589891 3.2644008 16 P 1.3972207 0.0441593 0.0764284 -0.1197107 2.7600122 -0.0523891 0.1636619 0.6589891 3.2644008 17 S -1.2677401 0.0950634 0.2644652 -0.0606740 -1.4422777 -0.2906296 0.2895047 -0.1163736 -1.2272094 18 S -1.5098013 -0.1142032 -0.1409177 -0.2049184 -1.3094822 0.1331023 -0.1374256 0.4419306 -1.1245744 19 S -0.8596686 0.1678396 -0.2890920 0.1473429 -1.1794806 -0.0047608 -0.3847756 -0.1155809 -2.3892059 20 S -1.5098013 0.1142032 -0.1409177 0.2049184 -1.3094822 -0.1331023 -0.1374256 -0.4419306 -1.1245744 21 S -1.5098013 0.1142032 -0.1409177 0.2049184 -1.3094822 -0.1331023 -0.1374256 -0.4419306 -1.1245744 22 S -0.8178587 0.3001776 0.0658502 0.4302568 -1.2553728 0.3593784 0.1150329 0.2766863 -1.7769171 23 S -1.3581541 -0.2096296 -0.1426441 -0.2971874 -1.8576179 -0.3732210 -0.1871260 -0.1718326 -1.2206204 24 S -1.5098013 -0.1142032 -0.1409177 -0.2049184 -1.3094822 0.1331023 -0.1374256 0.4419306 -1.1245744 25 S -0.4660146 -0.0224966 -0.1922033 0.0267383 -1.5366926 0.4082545 -0.2463257 0.1563028 -1.8736964 26 S -0.4660146 0.0224966 -0.1922033 -0.0267383 -1.5366926 -0.4082545 -0.2463257 -0.1563028 -1.8736964 27 S -1.3581541 -0.2096296 -0.1426441 -0.2971874 -1.8576179 -0.3732210 -0.1871260 -0.1718326 -1.2206204 28 S -1.2677401 -0.0950634 0.2644652 0.0606740 -1.4422777 0.2906296 0.2895047 0.1163736 -1.2272094 29 S -0.8596686 -0.1678396 -0.2890920 -0.1473429 -1.1794806 0.0047608 -0.3847756 0.1155809 -2.3892059 30 S -1.2677401 0.0950634 0.2644652 -0.0606740 -1.4422777 -0.2906296 0.2895047 -0.1163736 -1.2272094 31 S -0.8596686 -0.1678396 -0.2890920 -0.1473429 -1.1794806 0.0047608 -0.3847756 0.1155809 -2.3892059 32 S -1.3828391 0.2356836 0.2347755 0.2900876 -0.9878872 -0.4380399 0.3123556 -0.7353924 -1.5695391 33 S -0.8178587 -0.3001776 0.0658502 -0.4302568 -1.2553728 -0.3593784 0.1150329 -0.2766863 -1.7769171 34 S -0.8596686 0.1678396 -0.2890920 0.1473429 -1.1794806 -0.0047608 -0.3847756 -0.1155809 -2.3892059 35 S -1.3828391 -0.2356836 0.2347755 -0.2900876 -0.9878872 0.4380399 0.3123556 0.7353924 -1.5695391 36 S -0.4660146 0.0224966 -0.1922033 -0.0267383 -1.5366926 -0.4082545 -0.2463257 -0.1563028 -1.8736964 37 S -0.8178587 -0.3001776 0.0658502 -0.4302568 -1.2553728 -0.3593784 0.1150329 -0.2766863 -1.7769171 38 S -1.3581541 0.2096296 -0.1426441 0.2971874 -1.8576179 0.3732210 -0.1871260 0.1718326 -1.2206204 39 S -1.3581541 0.2096296 -0.1426441 0.2971874 -1.8576179 0.3732210 -0.1871260 0.1718326 -1.2206204 40 S -1.2677401 -0.0950634 0.2644652 0.0606740 -1.4422777 0.2906296 0.2895047 0.1163736 -1.2272094 41 S -1.3828391 -0.2356836 0.2347755 -0.2900876 -0.9878872 0.4380399 0.3123556 0.7353924 -1.5695391 42 S -1.3828391 0.2356836 0.2347755 0.2900876 -0.9878872 -0.4380399 0.3123556 -0.7353924 -1.5695391 43 S -0.4660146 -0.0224966 -0.1922033 0.0267383 -1.5366926 0.4082545 -0.2463257 0.1563028 -1.8736964 44 S -0.8178587 0.3001776 0.0658502 0.4302568 -1.2553728 0.3593784 0.1150329 0.2766863 -1.7769171 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4455 Number of blocks in projector: 4455 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4455, 4357), data: False |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.918 Solver_block: 200 / 1360 - Time: 0.769 Solver_block: 300 / 1360 - Time: 0.770 Solver_block: 400 / 1360 - Time: 0.770 Solver_block: 500 / 1360 - Time: 0.771 Solver_block: 600 / 1360 - Time: 0.770 Solver_block: 700 / 1360 - Time: 0.772 Solver_block: 800 / 1360 - Time: 0.771 Solver_block: 900 / 1360 - Time: 0.771 Solver_block: 1000 / 1360 - Time: 0.773 Solver_block: 1100 / 1360 - Time: 0.772 Solver_block: 1200 / 1360 - Time: 0.771 Solver_block: 1300 / 1360 - Time: 0.772 Solver_block: 1360 / 1360 - Time: 0.556 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.001 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4455 Number of blocks in projector: 4455 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4455, 4357), data: False |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:26:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:26:00]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.015286581149431 0.000000000000000 8.843303946096722 Atomic positions (fractional): 1 K 0.39106015272909 0.69187070858948 0.86996686023817 39.098 2 K 0.60893984727091 0.19187070858948 0.63003313976183 39.098 3 K 0.60893984727091 0.30812929141052 0.13003313976183 39.098 4 K 0.39106015272909 0.80812929141052 0.36996686023817 39.098 5 Er 0.14022114514525 0.35778382139644 0.89731178442500 167.259 6 Er 0.85977885485475 0.85778382139644 0.60268821557500 167.259 7 Er 0.85977885485475 0.64221617860356 0.10268821557500 167.259 8 Er 0.14022114514525 0.14221617860356 0.39731178442500 167.259 9 P 0.27281706491692 0.39381719168585 0.52673869020326 30.974 10 P 0.27281706491692 0.10618280831415 0.02673869020326 30.974 11 P 0.82224909021029 0.46487182206923 0.80078239901570 30.974 12 P 0.17775090978971 0.96487182206923 0.69921760098430 30.974 13 P 0.82224909021029 0.03512817793077 0.30078239901570 30.974 14 P 0.17775090978971 0.53512817793077 0.19921760098430 30.974 15 P 0.72718293508308 0.60618280831415 0.47326130979674 30.974 16 P 0.72718293508308 0.89381719168585 0.97326130979674 30.974 17 S 0.36613489116135 0.28679784144157 0.38452672348808 32.065 18 S 0.00057083967906 0.05666885509853 0.67756511276833 32.065 19 S 0.36807518765971 0.05795952259910 0.21868047907730 32.065 20 S 0.00057083967906 0.44333114490147 0.17756511276833 32.065 21 S 0.99942916032094 0.55666885509853 0.82243488723167 32.065 22 S 0.08826906158203 0.17919709509022 0.08584053424950 32.065 23 S 0.85507032711416 0.19458131344925 0.35665578125138 32.065 24 S 0.99942916032094 0.94333114490147 0.32243488723167 32.065 25 S 0.24139159796893 0.55147331908399 0.42829740596774 32.065 26 S 0.24139159796893 0.94852668091601 0.92829740596774 32.065 27 S 0.14492967288584 0.80541868655075 0.64334421874862 32.065 28 S 0.63386510883865 0.78679784144157 0.11547327651192 32.065 29 S 0.63192481234029 0.55795952259910 0.28131952092270 32.065 30 S 0.63386510883865 0.71320215855843 0.61547327651192 32.065 31 S 0.36807518765971 0.44204047740090 0.71868047907730 32.065 32 S 0.32989928373589 0.46856172976937 0.07014395394490 32.065 33 S 0.08826906158203 0.32080290490977 0.58584053424950 32.065 34 S 0.63192481234029 0.94204047740090 0.78131952092270 32.065 35 S 0.32989928373589 0.03143827023063 0.57014395394490 32.065 36 S 0.75860840203107 0.05147331908399 0.07170259403226 32.065 37 S 0.91173093841797 0.67919709509022 0.41415946575050 32.065 38 S 0.85507032711416 0.30541868655075 0.85665578125138 32.065 39 S 0.14492967288584 0.69458131344925 0.14334421874862 32.065 40 S 0.36613489116135 0.21320215855843 0.88452672348808 32.065 41 S 0.67010071626411 0.96856172976937 0.42985604605510 32.065 42 S 0.67010071626411 0.53143827023063 0.92985604605510 32.065 43 S 0.75860840203107 0.44852668091601 0.57170259403226 32.065 44 S 0.91173093841797 0.82080290490978 0.91415946575050 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.030573162298862 0.000000000000000 17.686607892193443 Atomic positions (fractional): 1 K 0.39106015272909 0.69187070858948 0.43498343011908 39.098 > 1 2 K 0.39106015272909 0.69187070858948 0.93498343011908 39.098 > 1 3 K 0.60893984727091 0.19187070858948 0.31501656988092 39.098 > 3 4 K 0.60893984727091 0.19187070858948 0.81501656988092 39.098 > 3 5 K 0.60893984727091 0.30812929141052 0.06501656988092 39.098 > 5 6 K 0.60893984727091 0.30812929141052 0.56501656988092 39.098 > 5 7 K 0.39106015272909 0.80812929141052 0.18498343011908 39.098 > 7 8 K 0.39106015272909 0.80812929141052 0.68498343011908 39.098 > 7 9 Er 0.14022114514525 0.35778382139644 0.44865589221250 167.259 > 9 10 Er 0.14022114514525 0.35778382139644 0.94865589221250 167.259 > 9 11 Er 0.85977885485475 0.85778382139644 0.30134410778750 167.259 > 11 12 Er 0.85977885485475 0.85778382139644 0.80134410778750 167.259 > 11 13 Er 0.85977885485475 0.64221617860356 0.05134410778750 167.259 > 13 14 Er 0.85977885485475 0.64221617860356 0.55134410778750 167.259 > 13 15 Er 0.14022114514525 0.14221617860356 0.19865589221250 167.259 > 15 16 Er 0.14022114514525 0.14221617860356 0.69865589221250 167.259 > 15 17 P 0.27281706491692 0.39381719168585 0.26336934510163 30.974 > 17 18 P 0.27281706491692 0.39381719168585 0.76336934510163 30.974 > 17 19 P 0.27281706491692 0.10618280831415 0.01336934510163 30.974 > 19 20 P 0.27281706491692 0.10618280831415 0.51336934510163 30.974 > 19 21 P 0.82224909021029 0.46487182206923 0.40039119950785 30.974 > 21 22 P 0.82224909021029 0.46487182206923 0.90039119950785 30.974 > 21 23 P 0.17775090978971 0.96487182206923 0.34960880049215 30.974 > 23 24 P 0.17775090978971 0.96487182206923 0.84960880049215 30.974 > 23 25 P 0.82224909021029 0.03512817793077 0.15039119950785 30.974 > 25 26 P 0.82224909021029 0.03512817793077 0.65039119950785 30.974 > 25 27 P 0.17775090978971 0.53512817793077 0.09960880049215 30.974 > 27 28 P 0.17775090978971 0.53512817793077 0.59960880049215 30.974 > 27 29 P 0.72718293508308 0.60618280831415 0.23663065489837 30.974 > 29 30 P 0.72718293508308 0.60618280831415 0.73663065489837 30.974 > 29 31 P 0.72718293508308 0.89381719168585 0.48663065489837 30.974 > 31 32 P 0.72718293508308 0.89381719168585 0.98663065489837 30.974 > 31 33 S 0.36613489116135 0.28679784144157 0.19226336174404 32.065 > 33 34 S 0.36613489116135 0.28679784144157 0.69226336174404 32.065 > 33 35 S 0.00057083967906 0.05666885509853 0.33878255638417 32.065 > 35 36 S 0.00057083967906 0.05666885509853 0.83878255638417 32.065 > 35 37 S 0.36807518765971 0.05795952259910 0.10934023953865 32.065 > 37 38 S 0.36807518765971 0.05795952259910 0.60934023953865 32.065 > 37 39 S 0.00057083967906 0.44333114490147 0.08878255638417 32.065 > 39 40 S 0.00057083967906 0.44333114490147 0.58878255638417 32.065 > 39 41 S 0.99942916032094 0.55666885509853 0.41121744361583 32.065 > 41 42 S 0.99942916032094 0.55666885509853 0.91121744361583 32.065 > 41 43 S 0.08826906158203 0.17919709509022 0.04292026712475 32.065 > 43 44 S 0.08826906158203 0.17919709509022 0.54292026712475 32.065 > 43 45 S 0.85507032711416 0.19458131344925 0.17832789062569 32.065 > 45 46 S 0.85507032711416 0.19458131344925 0.67832789062569 32.065 > 45 47 S 0.99942916032094 0.94333114490147 0.16121744361583 32.065 > 47 48 S 0.99942916032094 0.94333114490147 0.66121744361583 32.065 > 47 49 S 0.24139159796893 0.55147331908399 0.21414870298387 32.065 > 49 50 S 0.24139159796893 0.55147331908399 0.71414870298387 32.065 > 49 51 S 0.24139159796893 0.94852668091601 0.46414870298387 32.065 > 51 52 S 0.24139159796893 0.94852668091601 0.96414870298387 32.065 > 51 53 S 0.14492967288584 0.80541868655075 0.32167210937431 32.065 > 53 54 S 0.14492967288584 0.80541868655075 0.82167210937431 32.065 > 53 55 S 0.63386510883865 0.78679784144157 0.05773663825596 32.065 > 55 56 S 0.63386510883865 0.78679784144157 0.55773663825596 32.065 > 55 57 S 0.63192481234029 0.55795952259910 0.14065976046135 32.065 > 57 58 S 0.63192481234029 0.55795952259910 0.64065976046135 32.065 > 57 59 S 0.63386510883865 0.71320215855843 0.30773663825596 32.065 > 59 60 S 0.63386510883865 0.71320215855843 0.80773663825596 32.065 > 59 61 S 0.36807518765971 0.44204047740090 0.35934023953865 32.065 > 61 62 S 0.36807518765971 0.44204047740090 0.85934023953865 32.065 > 61 63 S 0.32989928373589 0.46856172976937 0.03507197697245 32.065 > 63 64 S 0.32989928373589 0.46856172976937 0.53507197697245 32.065 > 63 65 S 0.08826906158203 0.32080290490977 0.29292026712475 32.065 > 65 66 S 0.08826906158203 0.32080290490977 0.79292026712475 32.065 > 65 67 S 0.63192481234029 0.94204047740090 0.39065976046135 32.065 > 67 68 S 0.63192481234029 0.94204047740090 0.89065976046135 32.065 > 67 69 S 0.32989928373589 0.03143827023063 0.28507197697245 32.065 > 69 70 S 0.32989928373589 0.03143827023063 0.78507197697245 32.065 > 69 71 S 0.75860840203107 0.05147331908399 0.03585129701613 32.065 > 71 72 S 0.75860840203107 0.05147331908399 0.53585129701613 32.065 > 71 73 S 0.91173093841797 0.67919709509022 0.20707973287525 32.065 > 73 74 S 0.91173093841797 0.67919709509022 0.70707973287525 32.065 > 73 75 S 0.85507032711416 0.30541868655075 0.42832789062569 32.065 > 75 76 S 0.85507032711416 0.30541868655075 0.92832789062569 32.065 > 75 77 S 0.14492967288584 0.69458131344925 0.07167210937431 32.065 > 77 78 S 0.14492967288584 0.69458131344925 0.57167210937431 32.065 > 77 79 S 0.36613489116135 0.21320215855843 0.44226336174404 32.065 > 79 80 S 0.36613489116135 0.21320215855843 0.94226336174404 32.065 > 79 81 S 0.67010071626411 0.96856172976937 0.21492802302755 32.065 > 81 82 S 0.67010071626411 0.96856172976937 0.71492802302755 32.065 > 81 83 S 0.67010071626411 0.53143827023063 0.46492802302755 32.065 > 83 84 S 0.67010071626411 0.53143827023063 0.96492802302755 32.065 > 83 85 S 0.75860840203107 0.44852668091601 0.28585129701613 32.065 > 85 86 S 0.75860840203107 0.44852668091601 0.78585129701613 32.065 > 85 87 S 0.91173093841797 0.82080290490978 0.45707973287525 32.065 > 87 88 S 0.91173093841797 0.82080290490978 0.95707973287525 32.065 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4861041 0.0000000 0.1109794 0.0000000 5.2291347 0.0000000 0.1109807 0.0000000 5.9901656 -------------------------- Born effective charges -------------------------- 1 K 1.7701435 0.1443831 -0.0309986 -0.0426364 1.4511816 -0.0749828 -0.1230137 0.0284671 1.1728364 2 K 1.7701435 -0.1443831 -0.0309986 0.0426364 1.4511816 0.0749828 -0.1230137 -0.0284671 1.1728364 3 K 1.7701435 0.1443831 -0.0309986 -0.0426364 1.4511816 -0.0749828 -0.1230137 0.0284671 1.1728364 4 K 1.7701435 -0.1443831 -0.0309986 0.0426364 1.4511816 0.0749828 -0.1230137 -0.0284671 1.1728364 5 Er 2.4029942 -0.5008817 0.1572244 -0.8900133 3.0919823 0.1909442 0.2413829 -0.0740225 3.7753775 6 Er 2.4029942 0.5008817 0.1572244 0.8900133 3.0919823 -0.1909442 0.2413829 0.0740225 3.7753775 7 Er 2.4029942 -0.5008817 0.1572244 -0.8900133 3.0919823 0.1909442 0.2413829 -0.0740225 3.7753775 8 Er 2.4029942 0.5008817 0.1572244 0.8900133 3.0919823 -0.1909442 0.2413829 0.0740225 3.7753775 9 P 1.3972207 -0.0441593 0.0764284 0.1197107 2.7600122 0.0523891 0.1636619 -0.6589891 3.2644008 10 P 1.3972207 0.0441593 0.0764284 -0.1197107 2.7600122 -0.0523891 0.1636619 0.6589891 3.2644008 11 P 2.0917181 -0.5550407 -0.0028881 -0.6604436 2.2656347 -0.4212464 -0.0432715 0.9861221 2.9691480 12 P 2.0917181 0.5550407 -0.0028881 0.6604436 2.2656347 0.4212464 -0.0432715 -0.9861221 2.9691480 13 P 2.0917181 0.5550407 -0.0028881 0.6604436 2.2656347 0.4212464 -0.0432715 -0.9861221 2.9691480 14 P 2.0917181 -0.5550407 -0.0028881 -0.6604436 2.2656347 -0.4212464 -0.0432715 0.9861221 2.9691480 15 P 1.3972207 -0.0441593 0.0764284 0.1197107 2.7600122 0.0523891 0.1636619 -0.6589891 3.2644008 16 P 1.3972207 0.0441593 0.0764284 -0.1197107 2.7600122 -0.0523891 0.1636619 0.6589891 3.2644008 17 S -1.2677401 0.0950634 0.2644652 -0.0606740 -1.4422777 -0.2906296 0.2895047 -0.1163736 -1.2272094 18 S -1.5098013 -0.1142032 -0.1409177 -0.2049184 -1.3094822 0.1331023 -0.1374256 0.4419306 -1.1245744 19 S -0.8596686 0.1678396 -0.2890920 0.1473429 -1.1794806 -0.0047608 -0.3847756 -0.1155809 -2.3892059 20 S -1.5098013 0.1142032 -0.1409177 0.2049184 -1.3094822 -0.1331023 -0.1374256 -0.4419306 -1.1245744 21 S -1.5098013 0.1142032 -0.1409177 0.2049184 -1.3094822 -0.1331023 -0.1374256 -0.4419306 -1.1245744 22 S -0.8178587 0.3001776 0.0658502 0.4302568 -1.2553728 0.3593784 0.1150329 0.2766863 -1.7769171 23 S -1.3581541 -0.2096296 -0.1426441 -0.2971874 -1.8576179 -0.3732210 -0.1871260 -0.1718326 -1.2206204 24 S -1.5098013 -0.1142032 -0.1409177 -0.2049184 -1.3094822 0.1331023 -0.1374256 0.4419306 -1.1245744 25 S -0.4660146 -0.0224966 -0.1922033 0.0267383 -1.5366926 0.4082545 -0.2463257 0.1563028 -1.8736964 26 S -0.4660146 0.0224966 -0.1922033 -0.0267383 -1.5366926 -0.4082545 -0.2463257 -0.1563028 -1.8736964 27 S -1.3581541 -0.2096296 -0.1426441 -0.2971874 -1.8576179 -0.3732210 -0.1871260 -0.1718326 -1.2206204 28 S -1.2677401 -0.0950634 0.2644652 0.0606740 -1.4422777 0.2906296 0.2895047 0.1163736 -1.2272094 29 S -0.8596686 -0.1678396 -0.2890920 -0.1473429 -1.1794806 0.0047608 -0.3847756 0.1155809 -2.3892059 30 S -1.2677401 0.0950634 0.2644652 -0.0606740 -1.4422777 -0.2906296 0.2895047 -0.1163736 -1.2272094 31 S -0.8596686 -0.1678396 -0.2890920 -0.1473429 -1.1794806 0.0047608 -0.3847756 0.1155809 -2.3892059 32 S -1.3828391 0.2356836 0.2347755 0.2900876 -0.9878872 -0.4380399 0.3123556 -0.7353924 -1.5695391 33 S -0.8178587 -0.3001776 0.0658502 -0.4302568 -1.2553728 -0.3593784 0.1150329 -0.2766863 -1.7769171 34 S -0.8596686 0.1678396 -0.2890920 0.1473429 -1.1794806 -0.0047608 -0.3847756 -0.1155809 -2.3892059 35 S -1.3828391 -0.2356836 0.2347755 -0.2900876 -0.9878872 0.4380399 0.3123556 0.7353924 -1.5695391 36 S -0.4660146 0.0224966 -0.1922033 -0.0267383 -1.5366926 -0.4082545 -0.2463257 -0.1563028 -1.8736964 37 S -0.8178587 -0.3001776 0.0658502 -0.4302568 -1.2553728 -0.3593784 0.1150329 -0.2766863 -1.7769171 38 S -1.3581541 0.2096296 -0.1426441 0.2971874 -1.8576179 0.3732210 -0.1871260 0.1718326 -1.2206204 39 S -1.3581541 0.2096296 -0.1426441 0.2971874 -1.8576179 0.3732210 -0.1871260 0.1718326 -1.2206204 40 S -1.2677401 -0.0950634 0.2644652 0.0606740 -1.4422777 0.2906296 0.2895047 0.1163736 -1.2272094 41 S -1.3828391 -0.2356836 0.2347755 -0.2900876 -0.9878872 0.4380399 0.3123556 0.7353924 -1.5695391 42 S -1.3828391 0.2356836 0.2347755 0.2900876 -0.9878872 -0.4380399 0.3123556 -0.7353924 -1.5695391 43 S -0.4660146 -0.0224966 -0.1922033 0.0267383 -1.5366926 0.4082545 -0.2463257 0.1563028 -1.8736964 44 S -0.8178587 0.3001776 0.0658502 0.4302568 -1.2553728 0.3593784 0.1150329 0.2766863 -1.7769171 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:26:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:26:36]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.015286581149431 0.000000000000000 8.843303946096722 Atomic positions (fractional): 1 K 0.39106015272909 0.69187070858948 0.86996686023817 39.098 2 K 0.60893984727091 0.19187070858948 0.63003313976183 39.098 3 K 0.60893984727091 0.30812929141052 0.13003313976183 39.098 4 K 0.39106015272909 0.80812929141052 0.36996686023817 39.098 5 Er 0.14022114514525 0.35778382139644 0.89731178442500 167.259 6 Er 0.85977885485475 0.85778382139644 0.60268821557500 167.259 7 Er 0.85977885485475 0.64221617860356 0.10268821557500 167.259 8 Er 0.14022114514525 0.14221617860356 0.39731178442500 167.259 9 P 0.27281706491692 0.39381719168585 0.52673869020326 30.974 10 P 0.27281706491692 0.10618280831415 0.02673869020326 30.974 11 P 0.82224909021029 0.46487182206923 0.80078239901570 30.974 12 P 0.17775090978971 0.96487182206923 0.69921760098430 30.974 13 P 0.82224909021029 0.03512817793077 0.30078239901570 30.974 14 P 0.17775090978971 0.53512817793077 0.19921760098430 30.974 15 P 0.72718293508308 0.60618280831415 0.47326130979674 30.974 16 P 0.72718293508308 0.89381719168585 0.97326130979674 30.974 17 S 0.36613489116135 0.28679784144157 0.38452672348808 32.065 18 S 0.00057083967906 0.05666885509853 0.67756511276833 32.065 19 S 0.36807518765971 0.05795952259910 0.21868047907730 32.065 20 S 0.00057083967906 0.44333114490147 0.17756511276833 32.065 21 S 0.99942916032094 0.55666885509853 0.82243488723167 32.065 22 S 0.08826906158203 0.17919709509022 0.08584053424950 32.065 23 S 0.85507032711416 0.19458131344925 0.35665578125138 32.065 24 S 0.99942916032094 0.94333114490147 0.32243488723167 32.065 25 S 0.24139159796893 0.55147331908399 0.42829740596774 32.065 26 S 0.24139159796893 0.94852668091601 0.92829740596774 32.065 27 S 0.14492967288584 0.80541868655075 0.64334421874862 32.065 28 S 0.63386510883865 0.78679784144157 0.11547327651192 32.065 29 S 0.63192481234029 0.55795952259910 0.28131952092270 32.065 30 S 0.63386510883865 0.71320215855843 0.61547327651192 32.065 31 S 0.36807518765971 0.44204047740090 0.71868047907730 32.065 32 S 0.32989928373589 0.46856172976937 0.07014395394490 32.065 33 S 0.08826906158203 0.32080290490977 0.58584053424950 32.065 34 S 0.63192481234029 0.94204047740090 0.78131952092270 32.065 35 S 0.32989928373589 0.03143827023063 0.57014395394490 32.065 36 S 0.75860840203107 0.05147331908399 0.07170259403226 32.065 37 S 0.91173093841797 0.67919709509022 0.41415946575050 32.065 38 S 0.85507032711416 0.30541868655075 0.85665578125138 32.065 39 S 0.14492967288584 0.69458131344925 0.14334421874862 32.065 40 S 0.36613489116135 0.21320215855843 0.88452672348808 32.065 41 S 0.67010071626411 0.96856172976937 0.42985604605510 32.065 42 S 0.67010071626411 0.53143827023063 0.92985604605510 32.065 43 S 0.75860840203107 0.44852668091601 0.57170259403226 32.065 44 S 0.91173093841797 0.82080290490978 0.91415946575050 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.493375021897926 0.000000000000000 0.000000000000000 b 0.000000000000000 12.200333989999997 0.000000000000000 c -0.030573162298862 0.000000000000000 17.686607892193443 Atomic positions (fractional): 1 K 0.39106015272909 0.69187070858948 0.43498343011908 39.098 > 1 2 K 0.39106015272909 0.69187070858948 0.93498343011908 39.098 > 1 3 K 0.60893984727091 0.19187070858948 0.31501656988092 39.098 > 3 4 K 0.60893984727091 0.19187070858948 0.81501656988092 39.098 > 3 5 K 0.60893984727091 0.30812929141052 0.06501656988092 39.098 > 5 6 K 0.60893984727091 0.30812929141052 0.56501656988092 39.098 > 5 7 K 0.39106015272909 0.80812929141052 0.18498343011908 39.098 > 7 8 K 0.39106015272909 0.80812929141052 0.68498343011908 39.098 > 7 9 Er 0.14022114514525 0.35778382139644 0.44865589221250 167.259 > 9 10 Er 0.14022114514525 0.35778382139644 0.94865589221250 167.259 > 9 11 Er 0.85977885485475 0.85778382139644 0.30134410778750 167.259 > 11 12 Er 0.85977885485475 0.85778382139644 0.80134410778750 167.259 > 11 13 Er 0.85977885485475 0.64221617860356 0.05134410778750 167.259 > 13 14 Er 0.85977885485475 0.64221617860356 0.55134410778750 167.259 > 13 15 Er 0.14022114514525 0.14221617860356 0.19865589221250 167.259 > 15 16 Er 0.14022114514525 0.14221617860356 0.69865589221250 167.259 > 15 17 P 0.27281706491692 0.39381719168585 0.26336934510163 30.974 > 17 18 P 0.27281706491692 0.39381719168585 0.76336934510163 30.974 > 17 19 P 0.27281706491692 0.10618280831415 0.01336934510163 30.974 > 19 20 P 0.27281706491692 0.10618280831415 0.51336934510163 30.974 > 19 21 P 0.82224909021029 0.46487182206923 0.40039119950785 30.974 > 21 22 P 0.82224909021029 0.46487182206923 0.90039119950785 30.974 > 21 23 P 0.17775090978971 0.96487182206923 0.34960880049215 30.974 > 23 24 P 0.17775090978971 0.96487182206923 0.84960880049215 30.974 > 23 25 P 0.82224909021029 0.03512817793077 0.15039119950785 30.974 > 25 26 P 0.82224909021029 0.03512817793077 0.65039119950785 30.974 > 25 27 P 0.17775090978971 0.53512817793077 0.09960880049215 30.974 > 27 28 P 0.17775090978971 0.53512817793077 0.59960880049215 30.974 > 27 29 P 0.72718293508308 0.60618280831415 0.23663065489837 30.974 > 29 30 P 0.72718293508308 0.60618280831415 0.73663065489837 30.974 > 29 31 P 0.72718293508308 0.89381719168585 0.48663065489837 30.974 > 31 32 P 0.72718293508308 0.89381719168585 0.98663065489837 30.974 > 31 33 S 0.36613489116135 0.28679784144157 0.19226336174404 32.065 > 33 34 S 0.36613489116135 0.28679784144157 0.69226336174404 32.065 > 33 35 S 0.00057083967906 0.05666885509853 0.33878255638417 32.065 > 35 36 S 0.00057083967906 0.05666885509853 0.83878255638417 32.065 > 35 37 S 0.36807518765971 0.05795952259910 0.10934023953865 32.065 > 37 38 S 0.36807518765971 0.05795952259910 0.60934023953865 32.065 > 37 39 S 0.00057083967906 0.44333114490147 0.08878255638417 32.065 > 39 40 S 0.00057083967906 0.44333114490147 0.58878255638417 32.065 > 39 41 S 0.99942916032094 0.55666885509853 0.41121744361583 32.065 > 41 42 S 0.99942916032094 0.55666885509853 0.91121744361583 32.065 > 41 43 S 0.08826906158203 0.17919709509022 0.04292026712475 32.065 > 43 44 S 0.08826906158203 0.17919709509022 0.54292026712475 32.065 > 43 45 S 0.85507032711416 0.19458131344925 0.17832789062569 32.065 > 45 46 S 0.85507032711416 0.19458131344925 0.67832789062569 32.065 > 45 47 S 0.99942916032094 0.94333114490147 0.16121744361583 32.065 > 47 48 S 0.99942916032094 0.94333114490147 0.66121744361583 32.065 > 47 49 S 0.24139159796893 0.55147331908399 0.21414870298387 32.065 > 49 50 S 0.24139159796893 0.55147331908399 0.71414870298387 32.065 > 49 51 S 0.24139159796893 0.94852668091601 0.46414870298387 32.065 > 51 52 S 0.24139159796893 0.94852668091601 0.96414870298387 32.065 > 51 53 S 0.14492967288584 0.80541868655075 0.32167210937431 32.065 > 53 54 S 0.14492967288584 0.80541868655075 0.82167210937431 32.065 > 53 55 S 0.63386510883865 0.78679784144157 0.05773663825596 32.065 > 55 56 S 0.63386510883865 0.78679784144157 0.55773663825596 32.065 > 55 57 S 0.63192481234029 0.55795952259910 0.14065976046135 32.065 > 57 58 S 0.63192481234029 0.55795952259910 0.64065976046135 32.065 > 57 59 S 0.63386510883865 0.71320215855843 0.30773663825596 32.065 > 59 60 S 0.63386510883865 0.71320215855843 0.80773663825596 32.065 > 59 61 S 0.36807518765971 0.44204047740090 0.35934023953865 32.065 > 61 62 S 0.36807518765971 0.44204047740090 0.85934023953865 32.065 > 61 63 S 0.32989928373589 0.46856172976937 0.03507197697245 32.065 > 63 64 S 0.32989928373589 0.46856172976937 0.53507197697245 32.065 > 63 65 S 0.08826906158203 0.32080290490977 0.29292026712475 32.065 > 65 66 S 0.08826906158203 0.32080290490977 0.79292026712475 32.065 > 65 67 S 0.63192481234029 0.94204047740090 0.39065976046135 32.065 > 67 68 S 0.63192481234029 0.94204047740090 0.89065976046135 32.065 > 67 69 S 0.32989928373589 0.03143827023063 0.28507197697245 32.065 > 69 70 S 0.32989928373589 0.03143827023063 0.78507197697245 32.065 > 69 71 S 0.75860840203107 0.05147331908399 0.03585129701613 32.065 > 71 72 S 0.75860840203107 0.05147331908399 0.53585129701613 32.065 > 71 73 S 0.91173093841797 0.67919709509022 0.20707973287525 32.065 > 73 74 S 0.91173093841797 0.67919709509022 0.70707973287525 32.065 > 73 75 S 0.85507032711416 0.30541868655075 0.42832789062569 32.065 > 75 76 S 0.85507032711416 0.30541868655075 0.92832789062569 32.065 > 75 77 S 0.14492967288584 0.69458131344925 0.07167210937431 32.065 > 77 78 S 0.14492967288584 0.69458131344925 0.57167210937431 32.065 > 77 79 S 0.36613489116135 0.21320215855843 0.44226336174404 32.065 > 79 80 S 0.36613489116135 0.21320215855843 0.94226336174404 32.065 > 79 81 S 0.67010071626411 0.96856172976937 0.21492802302755 32.065 > 81 82 S 0.67010071626411 0.96856172976937 0.71492802302755 32.065 > 81 83 S 0.67010071626411 0.53143827023063 0.46492802302755 32.065 > 83 84 S 0.67010071626411 0.53143827023063 0.96492802302755 32.065 > 83 85 S 0.75860840203107 0.44852668091601 0.28585129701613 32.065 > 85 86 S 0.75860840203107 0.44852668091601 0.78585129701613 32.065 > 85 87 S 0.91173093841797 0.82080290490978 0.45707973287525 32.065 > 87 88 S 0.91173093841797 0.82080290490978 0.95707973287525 32.065 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4861041 0.0000000 0.1109794 0.0000000 5.2291347 0.0000000 0.1109807 0.0000000 5.9901656 -------------------------- Born effective charges -------------------------- 1 K 1.7701435 0.1443831 -0.0309986 -0.0426364 1.4511816 -0.0749828 -0.1230137 0.0284671 1.1728364 2 K 1.7701435 -0.1443831 -0.0309986 0.0426364 1.4511816 0.0749828 -0.1230137 -0.0284671 1.1728364 3 K 1.7701435 0.1443831 -0.0309986 -0.0426364 1.4511816 -0.0749828 -0.1230137 0.0284671 1.1728364 4 K 1.7701435 -0.1443831 -0.0309986 0.0426364 1.4511816 0.0749828 -0.1230137 -0.0284671 1.1728364 5 Er 2.4029942 -0.5008817 0.1572244 -0.8900133 3.0919823 0.1909442 0.2413829 -0.0740225 3.7753775 6 Er 2.4029942 0.5008817 0.1572244 0.8900133 3.0919823 -0.1909442 0.2413829 0.0740225 3.7753775 7 Er 2.4029942 -0.5008817 0.1572244 -0.8900133 3.0919823 0.1909442 0.2413829 -0.0740225 3.7753775 8 Er 2.4029942 0.5008817 0.1572244 0.8900133 3.0919823 -0.1909442 0.2413829 0.0740225 3.7753775 9 P 1.3972207 -0.0441593 0.0764284 0.1197107 2.7600122 0.0523891 0.1636619 -0.6589891 3.2644008 10 P 1.3972207 0.0441593 0.0764284 -0.1197107 2.7600122 -0.0523891 0.1636619 0.6589891 3.2644008 11 P 2.0917181 -0.5550407 -0.0028881 -0.6604436 2.2656347 -0.4212464 -0.0432715 0.9861221 2.9691480 12 P 2.0917181 0.5550407 -0.0028881 0.6604436 2.2656347 0.4212464 -0.0432715 -0.9861221 2.9691480 13 P 2.0917181 0.5550407 -0.0028881 0.6604436 2.2656347 0.4212464 -0.0432715 -0.9861221 2.9691480 14 P 2.0917181 -0.5550407 -0.0028881 -0.6604436 2.2656347 -0.4212464 -0.0432715 0.9861221 2.9691480 15 P 1.3972207 -0.0441593 0.0764284 0.1197107 2.7600122 0.0523891 0.1636619 -0.6589891 3.2644008 16 P 1.3972207 0.0441593 0.0764284 -0.1197107 2.7600122 -0.0523891 0.1636619 0.6589891 3.2644008 17 S -1.2677401 0.0950634 0.2644652 -0.0606740 -1.4422777 -0.2906296 0.2895047 -0.1163736 -1.2272094 18 S -1.5098013 -0.1142032 -0.1409177 -0.2049184 -1.3094822 0.1331023 -0.1374256 0.4419306 -1.1245744 19 S -0.8596686 0.1678396 -0.2890920 0.1473429 -1.1794806 -0.0047608 -0.3847756 -0.1155809 -2.3892059 20 S -1.5098013 0.1142032 -0.1409177 0.2049184 -1.3094822 -0.1331023 -0.1374256 -0.4419306 -1.1245744 21 S -1.5098013 0.1142032 -0.1409177 0.2049184 -1.3094822 -0.1331023 -0.1374256 -0.4419306 -1.1245744 22 S -0.8178587 0.3001776 0.0658502 0.4302568 -1.2553728 0.3593784 0.1150329 0.2766863 -1.7769171 23 S -1.3581541 -0.2096296 -0.1426441 -0.2971874 -1.8576179 -0.3732210 -0.1871260 -0.1718326 -1.2206204 24 S -1.5098013 -0.1142032 -0.1409177 -0.2049184 -1.3094822 0.1331023 -0.1374256 0.4419306 -1.1245744 25 S -0.4660146 -0.0224966 -0.1922033 0.0267383 -1.5366926 0.4082545 -0.2463257 0.1563028 -1.8736964 26 S -0.4660146 0.0224966 -0.1922033 -0.0267383 -1.5366926 -0.4082545 -0.2463257 -0.1563028 -1.8736964 27 S -1.3581541 -0.2096296 -0.1426441 -0.2971874 -1.8576179 -0.3732210 -0.1871260 -0.1718326 -1.2206204 28 S -1.2677401 -0.0950634 0.2644652 0.0606740 -1.4422777 0.2906296 0.2895047 0.1163736 -1.2272094 29 S -0.8596686 -0.1678396 -0.2890920 -0.1473429 -1.1794806 0.0047608 -0.3847756 0.1155809 -2.3892059 30 S -1.2677401 0.0950634 0.2644652 -0.0606740 -1.4422777 -0.2906296 0.2895047 -0.1163736 -1.2272094 31 S -0.8596686 -0.1678396 -0.2890920 -0.1473429 -1.1794806 0.0047608 -0.3847756 0.1155809 -2.3892059 32 S -1.3828391 0.2356836 0.2347755 0.2900876 -0.9878872 -0.4380399 0.3123556 -0.7353924 -1.5695391 33 S -0.8178587 -0.3001776 0.0658502 -0.4302568 -1.2553728 -0.3593784 0.1150329 -0.2766863 -1.7769171 34 S -0.8596686 0.1678396 -0.2890920 0.1473429 -1.1794806 -0.0047608 -0.3847756 -0.1155809 -2.3892059 35 S -1.3828391 -0.2356836 0.2347755 -0.2900876 -0.9878872 0.4380399 0.3123556 0.7353924 -1.5695391 36 S -0.4660146 0.0224966 -0.1922033 -0.0267383 -1.5366926 -0.4082545 -0.2463257 -0.1563028 -1.8736964 37 S -0.8178587 -0.3001776 0.0658502 -0.4302568 -1.2553728 -0.3593784 0.1150329 -0.2766863 -1.7769171 38 S -1.3581541 0.2096296 -0.1426441 0.2971874 -1.8576179 0.3732210 -0.1871260 0.1718326 -1.2206204 39 S -1.3581541 0.2096296 -0.1426441 0.2971874 -1.8576179 0.3732210 -0.1871260 0.1718326 -1.2206204 40 S -1.2677401 -0.0950634 0.2644652 0.0606740 -1.4422777 0.2906296 0.2895047 0.1163736 -1.2272094 41 S -1.3828391 -0.2356836 0.2347755 -0.2900876 -0.9878872 0.4380399 0.3123556 0.7353924 -1.5695391 42 S -1.3828391 0.2356836 0.2347755 0.2900876 -0.9878872 -0.4380399 0.3123556 -0.7353924 -1.5695391 43 S -0.4660146 -0.0224966 -0.1922033 0.0267383 -1.5366926 0.4082545 -0.2463257 0.1563028 -1.8736964 44 S -0.8178587 0.3001776 0.0658502 0.4302568 -1.2553728 0.3593784 0.1150329 0.2766863 -1.7769171 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 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 1.158 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.589 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 11.989 ( 0.000 0.000 0.000) 0.000 13.648 ( 0.000 0.000 0.000) 0.000 13.737 ( 0.000 0.000 0.000) 0.000 13.748 ( 0.000 0.000 0.000) 0.000 13.762 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.554 ( 0.000 0.000 0.000) 0.000 15.652 ( 0.000 0.000 0.000) 0.000 15.699 ( 0.000 0.000 0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 17.004 ( 0.000 0.000 0.000) 0.000 17.041 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.319 ( 0.000 0.000 0.000) 0.000 17.358 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 17.510 ( 0.000 0.000 0.000) 0.000 17.563 ( 0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.785 ( 0.000 0.000 0.000) 0.000 18.099 ( 0.000 0.000 0.000) 0.000 18.319 ( 0.000 0.000 0.000) 0.000 18.352 ( 0.000 0.000 0.000) 0.000 18.393 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 7.269 0.000 30.580) 31.432 0.272 ( 13.187 0.000 6.710) 14.796 0.643 ( 28.311 0.000 -13.085) 31.189 1.162 ( -0.737 0.000 1.890) 2.029 1.358 ( -7.002 0.000 -3.137) 7.672 1.502 ( -2.154 0.000 2.573) 3.355 1.625 ( 1.747 0.000 -5.681) 5.943 1.635 ( -2.480 0.000 -5.390) 5.933 1.754 ( -0.892 0.000 2.553) 2.704 1.762 ( 2.419 0.000 7.061) 7.464 1.940 ( 0.885 0.000 2.452) 2.607 2.021 ( -3.290 0.000 0.595) 3.343 2.046 ( 1.931 0.000 1.415) 2.393 2.153 ( 3.511 0.000 2.654) 4.401 2.236 ( 0.851 0.000 -2.789) 2.915 2.239 ( -4.025 0.000 -2.264) 4.618 2.348 ( 0.321 0.000 -8.597) 8.603 2.409 ( 1.122 0.000 0.995) 1.500 2.475 ( -2.021 0.000 -3.956) 4.442 2.502 ( -0.725 0.000 -3.516) 3.590 2.559 ( -1.348 0.000 0.278) 1.376 2.658 ( -2.751 0.000 -3.599) 4.530 2.697 ( 2.496 0.000 5.957) 6.459 2.787 ( -7.517 0.000 4.467) 8.744 2.806 ( -0.344 0.000 2.014) 2.043 2.863 ( -5.581 0.000 0.325) 5.590 2.960 ( 3.022 0.000 1.282) 3.283 2.964 ( -0.303 0.000 3.968) 3.980 3.017 ( 1.497 0.000 -2.740) 3.122 3.088 ( -1.292 0.000 0.482) 1.379 3.151 ( 3.353 0.000 3.547) 4.881 3.166 ( 0.683 0.000 -1.451) 1.603 3.220 ( 3.038 0.000 1.117) 3.237 3.289 ( -2.199 0.000 1.901) 2.907 3.370 ( 0.691 0.000 0.981) 1.200 3.398 ( 0.296 0.000 -4.970) 4.978 3.441 ( -1.039 0.000 -1.220) 1.602 3.453 ( 1.241 0.000 -0.025) 1.241 3.559 ( -3.984 0.000 -0.943) 4.094 3.560 ( -0.006 0.000 0.319) 0.319 3.729 ( -2.094 0.000 -2.164) 3.012 3.805 ( -3.781 0.000 -3.555) 5.189 3.931 ( 0.217 0.000 1.321) 1.339 3.961 ( 2.750 0.000 2.465) 3.693 3.975 ( 1.186 0.000 -1.388) 1.826 4.007 ( 0.289 0.000 1.005) 1.046 4.128 ( -2.115 0.000 -2.396) 3.196 4.146 ( -0.706 0.000 1.075) 1.286 4.214 ( 2.456 0.000 -1.002) 2.653 4.292 ( 1.982 0.000 1.876) 2.729 4.407 ( -1.564 0.000 -2.806) 3.212 4.416 ( -0.362 0.000 0.307) 0.474 4.426 ( 1.744 0.000 -1.776) 2.489 4.666 ( -0.255 0.000 5.540) 5.545 4.684 ( 0.987 0.000 -0.770) 1.252 4.852 ( 0.999 0.000 2.029) 2.262 4.865 ( 0.920 0.000 1.678) 1.913 4.920 ( 0.465 0.000 1.089) 1.184 4.927 ( -0.748 0.000 -1.555) 1.726 5.053 ( 0.701 0.000 1.066) 1.276 5.107 ( 2.042 0.000 3.701) 4.227 5.133 ( 1.926 0.000 -2.398) 3.076 5.197 ( 1.786 0.000 2.014) 2.692 5.213 ( -0.285 0.000 0.560) 0.629 5.262 ( -1.247 0.000 -1.632) 2.054 5.321 ( -2.460 0.000 -2.747) 3.688 5.362 ( -0.404 0.000 -4.851) 4.868 5.478 ( -0.040 0.000 -0.869) 0.870 5.690 ( -3.912 0.000 0.437) 3.936 5.883 ( 1.796 0.000 2.983) 3.482 5.970 ( 2.823 0.000 0.874) 2.955 6.145 ( 0.682 0.000 -0.710) 0.985 6.182 ( -4.776 0.000 -3.866) 6.145 6.320 ( -2.014 0.000 -0.090) 2.016 6.321 ( -1.081 0.000 1.266) 1.665 6.471 ( 6.224 0.000 0.643) 6.257 6.954 ( 0.107 0.000 -0.436) 0.448 6.969 ( -0.354 0.000 0.126) 0.376 6.979 ( -1.281 0.000 1.026) 1.641 7.221 ( 0.831 0.000 -0.301) 0.884 7.250 ( 0.206 0.000 -0.463) 0.507 7.305 ( 0.632 0.000 -5.205) 5.243 7.345 ( -1.471 0.000 0.807) 1.677 7.417 ( -1.422 0.000 -0.153) 1.431 7.464 ( 0.640 0.000 -0.703) 0.951 7.533 ( 2.708 0.000 -1.291) 3.000 7.573 ( -1.517 0.000 -0.109) 1.521 7.850 ( -1.759 0.000 2.607) 3.145 8.007 ( 0.130 0.000 -0.628) 0.641 8.037 ( -0.674 0.000 0.524) 0.854 8.070 ( 0.817 0.000 0.585) 1.005 8.076 ( 1.116 0.000 0.465) 1.209 8.267 ( 0.445 0.000 -1.174) 1.256 8.355 ( -0.694 0.000 -0.573) 0.900 8.385 ( 0.040 0.000 8.324) 8.324 8.476 ( 0.669 0.000 0.678) 0.952 8.691 ( 0.171 0.000 0.493) 0.521 8.729 ( -0.229 0.000 -2.551) 2.561 8.868 ( -0.486 0.000 0.439) 0.655 8.889 ( 0.123 0.000 -0.291) 0.316 11.574 ( -1.647 0.000 -1.129) 1.997 11.582 ( -1.885 0.000 -0.398) 1.926 11.658 ( 1.777 0.000 1.173) 2.129 11.708 ( 1.172 0.000 2.020) 2.335 11.927 ( 0.384 0.000 0.678) 0.779 11.950 ( -0.312 0.000 0.680) 0.748 11.988 ( -0.093 0.000 -0.528) 0.536 11.997 ( 1.217 0.000 -0.296) 1.253 13.664 ( 1.400 0.000 -1.458) 2.021 13.737 ( 0.039 0.000 0.602) 0.604 13.747 ( -0.051 0.000 -0.503) 0.505 13.789 ( -1.252 0.000 14.084) 14.139 15.559 ( 0.644 0.000 -0.117) 0.654 15.559 ( 0.492 0.000 0.592) 0.770 15.651 ( -0.453 0.000 0.250) 0.517 15.691 ( -0.681 0.000 -0.755) 1.017 16.919 ( 0.169 0.000 -0.669) 0.690 16.958 ( -0.175 0.000 0.428) 0.463 16.987 ( -1.121 0.000 -0.486) 1.222 17.057 ( 0.979 0.000 0.469) 1.086 17.284 ( 0.566 0.000 -0.013) 0.566 17.312 ( -0.502 0.000 0.062) 0.506 17.364 ( 0.459 0.000 0.075) 0.466 17.473 ( 1.397 0.000 -0.770) 1.595 17.527 ( -0.425 0.000 -0.611) 0.744 17.574 ( -0.902 0.000 0.777) 1.190 17.793 ( 0.726 0.000 0.529) 0.898 17.923 ( -1.317 0.000 -13.472) 13.536 18.121 ( 2.067 0.000 -0.373) 2.101 18.319 ( 0.029 0.000 -1.255) 1.256 18.351 ( -0.152 0.000 1.177) 1.187 18.360 ( -3.015 0.000 1.925) 3.577 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 3.217 0.000 12.925) 13.319 0.527 ( 9.003 0.000 2.954) 9.475 1.122 ( -1.750 0.000 5.625) 5.891 1.127 ( 15.699 0.000 -10.482) 18.877 1.176 ( -7.786 0.000 -6.398) 10.077 1.414 ( -5.572 0.000 4.903) 7.422 1.619 ( 0.762 0.000 -3.224) 3.313 1.715 ( 4.470 0.000 -4.338) 6.229 1.723 ( -1.402 0.000 2.750) 3.087 1.854 ( 5.574 0.000 6.761) 8.763 1.945 ( -0.104 0.000 0.552) 0.562 1.948 ( -2.502 0.000 -0.001) 2.502 2.098 ( 1.550 0.000 1.386) 2.079 2.104 ( -6.720 0.000 -2.799) 7.280 2.230 ( 1.511 0.000 2.394) 2.831 2.305 ( 5.727 0.000 -5.913) 8.232 2.338 ( -0.430 0.000 -6.768) 6.782 2.415 ( -1.203 0.000 2.971) 3.205 2.428 ( -0.323 0.000 -4.598) 4.609 2.492 ( -4.109 0.000 1.802) 4.487 2.494 ( -1.750 0.000 2.632) 3.161 2.592 ( -3.585 0.000 -1.935) 4.074 2.652 ( -3.363 0.000 1.362) 3.628 2.738 ( 0.062 0.000 -0.346) 0.352 2.778 ( 1.052 0.000 0.528) 1.177 2.814 ( -0.912 0.000 3.794) 3.903 2.943 ( -0.782 0.000 0.030) 0.782 3.010 ( 0.490 0.000 0.481) 0.687 3.061 ( 2.735 0.000 1.023) 2.920 3.074 ( -0.265 0.000 1.500) 1.523 3.138 ( -2.530 0.000 -0.297) 2.548 3.172 ( 0.537 0.000 1.280) 1.388 3.275 ( -0.209 0.000 1.712) 1.725 3.304 ( 3.369 0.000 -1.655) 3.753 3.379 ( 0.134 0.000 0.340) 0.366 3.416 ( 0.863 0.000 -3.154) 3.269 3.429 ( -0.000 0.000 -0.869) 0.869 3.467 ( -0.077 0.000 -0.770) 0.774 3.479 ( -2.629 0.000 3.866) 4.675 3.586 ( 2.543 0.000 0.488) 2.589 3.660 ( -3.896 0.000 -1.093) 4.047 3.735 ( -2.154 0.000 -1.295) 2.513 3.935 ( -0.064 0.000 -0.112) 0.129 3.988 ( 0.272 0.000 -0.346) 0.440 4.012 ( 0.155 0.000 0.662) 0.680 4.019 ( 2.630 0.000 1.771) 3.171 4.079 ( -2.422 0.000 -2.402) 3.411 4.130 ( -0.515 0.000 0.232) 0.565 4.288 ( 3.594 0.000 -1.089) 3.755 4.328 ( 1.376 0.000 2.001) 2.428 4.374 ( -1.287 0.000 -3.331) 3.571 4.391 ( -1.846 0.000 0.685) 1.969 4.464 ( 1.276 0.000 -0.250) 1.300 4.657 ( -0.433 0.000 1.341) 1.409 4.701 ( 0.454 0.000 -0.626) 0.773 4.876 ( 0.886 0.000 1.283) 1.559 4.887 ( 0.633 0.000 1.784) 1.893 4.907 ( -0.223 0.000 -1.085) 1.107 4.937 ( 0.363 0.000 0.442) 0.572 5.053 ( -0.239 0.000 0.222) 0.326 5.147 ( 1.008 0.000 1.328) 1.667 5.187 ( 2.314 0.000 -0.149) 2.319 5.208 ( -0.105 0.000 0.708) 0.716 5.226 ( 0.658 0.000 1.398) 1.545 5.240 ( -0.612 0.000 0.328) 0.694 5.271 ( -1.489 0.000 -3.704) 3.992 5.353 ( -0.397 0.000 -1.042) 1.115 5.473 ( -0.347 0.000 -0.674) 0.758 5.621 ( -1.999 0.000 -0.150) 2.005 5.913 ( 0.697 0.000 1.760) 1.893 6.012 ( 0.923 0.000 0.225) 0.950 6.120 ( -1.132 0.000 -1.427) 1.821 6.173 ( 1.649 0.000 -0.259) 1.669 6.271 ( -2.121 0.000 -0.013) 2.121 6.297 ( -0.868 0.000 -0.202) 0.891 6.569 ( 2.611 0.000 0.393) 2.640 6.956 ( -0.662 0.000 0.362) 0.754 6.956 ( 0.048 0.000 -0.350) 0.354 6.962 ( -0.224 0.000 0.164) 0.278 7.235 ( 0.371 0.000 -0.108) 0.387 7.258 ( 0.432 0.000 -0.502) 0.662 7.313 ( -1.167 0.000 0.733) 1.378 7.330 ( 1.758 0.000 -1.577) 2.361 7.375 ( -2.310 0.000 0.482) 2.360 7.485 ( 1.350 0.000 -0.801) 1.570 7.532 ( -1.991 0.000 0.308) 2.015 7.597 ( 2.412 0.000 -1.205) 2.696 7.807 ( -1.752 0.000 1.666) 2.418 8.013 ( 0.242 0.000 -0.311) 0.394 8.025 ( -0.339 0.000 0.205) 0.396 8.083 ( 0.340 0.000 0.228) 0.409 8.097 ( 0.614 0.000 0.079) 0.619 8.274 ( 0.179 0.000 -0.619) 0.645 8.344 ( -0.288 0.000 -0.244) 0.378 8.387 ( 0.091 0.000 1.964) 1.966 8.487 ( 0.311 0.000 0.349) 0.468 8.695 ( 0.122 0.000 0.380) 0.399 8.725 ( -0.157 0.000 -0.874) 0.888 8.860 ( -0.229 0.000 0.199) 0.304 8.890 ( -0.009 0.000 -0.114) 0.115 11.549 ( -0.609 0.000 -0.423) 0.741 11.551 ( -0.847 0.000 -0.201) 0.870 11.685 ( 0.682 0.000 0.446) 0.815 11.725 ( 0.419 0.000 0.559) 0.699 11.935 ( 0.284 0.000 0.512) 0.585 11.946 ( -0.106 0.000 0.252) 0.273 11.986 ( -0.098 0.000 -0.415) 0.426 12.020 ( 0.655 0.000 -0.184) 0.680 13.702 ( 2.010 0.000 -2.995) 3.607 13.738 ( 0.018 0.000 0.506) 0.506 13.746 ( -0.023 0.000 -0.445) 0.446 13.754 ( -1.910 0.000 6.036) 6.331 15.570 ( 0.381 0.000 0.528) 0.651 15.574 ( 0.548 0.000 -0.162) 0.571 15.641 ( -0.418 0.000 0.157) 0.447 15.676 ( -0.507 0.000 -0.580) 0.770 16.923 ( 0.145 0.000 -0.529) 0.548 16.954 ( -0.146 0.000 0.564) 0.582 16.969 ( -0.505 0.000 -0.206) 0.545 17.073 ( 0.440 0.000 0.202) 0.485 17.295 ( 0.362 0.000 0.024) 0.363 17.303 ( -0.299 0.000 0.024) 0.300 17.372 ( 0.250 0.000 0.055) 0.256 17.509 ( 1.880 0.000 -1.236) 2.250 17.519 ( -0.270 0.000 -0.609) 0.667 17.547 ( -1.587 0.000 1.241) 2.015 17.812 ( 0.846 0.000 0.709) 1.104 17.892 ( -1.218 0.000 -3.490) 3.696 18.180 ( 3.182 0.000 -0.476) 3.217 18.282 ( -3.766 0.000 0.890) 3.870 18.320 ( 0.041 0.000 -0.883) 0.884 18.347 ( -0.115 0.000 0.835) 0.842 ======================= Grid point 5 (4/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 15.730 0.000) 15.730 0.472 ( 0.000 22.583 0.000) 22.583 0.652 ( 0.000 26.763 0.000) 26.763 1.005 ( 0.000 -10.466 0.000) 10.466 1.289 ( 0.000 -15.671 0.000) 15.671 1.369 ( 0.000 -4.642 0.000) 4.642 1.694 ( 0.000 0.121 0.000) 0.121 1.727 ( 0.000 -1.776 0.000) 1.776 1.806 ( 0.000 7.624 0.000) 7.624 1.835 ( 0.000 8.079 0.000) 8.079 1.924 ( 0.000 1.812 0.000) 1.812 1.954 ( 0.000 -1.659 0.000) 1.659 2.041 ( 0.000 -2.084 0.000) 2.084 2.090 ( 0.000 -4.106 0.000) 4.106 2.215 ( 0.000 -1.323 0.000) 1.323 2.269 ( 0.000 -4.046 0.000) 4.046 2.327 ( 0.000 1.736 0.000) 1.736 2.398 ( 0.000 -0.423 0.000) 0.423 2.460 ( 0.000 -1.371 0.000) 1.371 2.463 ( 0.000 -5.590 0.000) 5.590 2.602 ( 0.000 0.760 0.000) 0.760 2.687 ( 0.000 -6.413 0.000) 6.413 2.691 ( 0.000 1.514 0.000) 1.514 2.759 ( 0.000 4.150 0.000) 4.150 2.818 ( 0.000 -2.230 0.000) 2.230 2.866 ( 0.000 -2.389 0.000) 2.389 2.934 ( 0.000 2.616 0.000) 2.616 2.947 ( 0.000 -0.743 0.000) 0.743 3.049 ( 0.000 1.645 0.000) 1.645 3.108 ( 0.000 5.628 0.000) 5.628 3.123 ( 0.000 -0.727 0.000) 0.727 3.154 ( 0.000 5.257 0.000) 5.257 3.201 ( 0.000 1.185 0.000) 1.185 3.282 ( 0.000 -3.102 0.000) 3.102 3.336 ( 0.000 -5.756 0.000) 5.756 3.348 ( 0.000 -0.455 0.000) 0.455 3.415 ( 0.000 0.300 0.000) 0.300 3.474 ( 0.000 1.976 0.000) 1.976 3.529 ( 0.000 -1.769 0.000) 1.769 3.566 ( 0.000 -0.678 0.000) 0.678 3.777 ( 0.000 2.986 0.000) 2.986 3.858 ( 0.000 -0.210 0.000) 0.210 3.909 ( 0.000 -1.065 0.000) 1.065 3.933 ( 0.000 -3.339 0.000) 3.339 3.975 ( 0.000 1.936 0.000) 1.936 4.100 ( 0.000 -0.780 0.000) 0.780 4.114 ( 0.000 -3.132 0.000) 3.132 4.181 ( 0.000 -3.465 0.000) 3.465 4.293 ( 0.000 2.071 0.000) 2.071 4.297 ( 0.000 4.090 0.000) 4.090 4.391 ( 0.000 0.216 0.000) 0.216 4.400 ( 0.000 0.599 0.000) 0.599 4.519 ( 0.000 6.271 0.000) 6.271 4.618 ( 0.000 -1.436 0.000) 1.436 4.726 ( 0.000 0.087 0.000) 0.087 4.825 ( 0.000 -1.603 0.000) 1.603 4.856 ( 0.000 -0.021 0.000) 0.021 4.907 ( 0.000 -1.765 0.000) 1.765 4.956 ( 0.000 2.262 0.000) 2.262 5.030 ( 0.000 -0.441 0.000) 0.441 5.100 ( 0.000 0.738 0.000) 0.738 5.118 ( 0.000 0.658 0.000) 0.658 5.190 ( 0.000 -0.299 0.000) 0.299 5.212 ( 0.000 -0.954 0.000) 0.954 5.249 ( 0.000 -2.164 0.000) 2.164 5.267 ( 0.000 -1.078 0.000) 1.078 5.404 ( 0.000 2.638 0.000) 2.638 5.470 ( 0.000 -0.743 0.000) 0.743 5.728 ( 0.000 1.335 0.000) 1.335 5.824 ( 0.000 -2.750 0.000) 2.750 5.965 ( 0.000 2.813 0.000) 2.813 6.086 ( 0.000 -2.398 0.000) 2.398 6.313 ( 0.000 1.200 0.000) 1.200 6.334 ( 0.000 0.244 0.000) 0.244 6.342 ( 0.000 0.008 0.000) 0.008 6.355 ( 0.000 -0.615 0.000) 0.615 6.932 ( 0.000 -0.650 0.000) 0.650 6.967 ( 0.000 -1.137 0.000) 1.137 7.065 ( 0.000 4.666 0.000) 4.666 7.194 ( 0.000 -1.423 0.000) 1.423 7.274 ( 0.000 1.521 0.000) 1.521 7.293 ( 0.000 0.358 0.000) 0.358 7.371 ( 0.000 0.838 0.000) 0.838 7.422 ( 0.000 -0.826 0.000) 0.826 7.461 ( 0.000 0.261 0.000) 0.261 7.485 ( 0.000 -1.420 0.000) 1.420 7.749 ( 0.000 1.454 0.000) 1.454 7.842 ( 0.000 -2.029 0.000) 2.029 7.979 ( 0.000 -1.714 0.000) 1.714 7.983 ( 0.000 -2.451 0.000) 2.451 8.086 ( 0.000 2.143 0.000) 2.143 8.105 ( 0.000 1.600 0.000) 1.600 8.254 ( 0.000 0.625 0.000) 0.625 8.263 ( 0.000 0.205 0.000) 0.205 8.358 ( 0.000 -0.398 0.000) 0.398 8.441 ( 0.000 -4.114 0.000) 4.114 8.730 ( 0.000 2.712 0.000) 2.712 8.742 ( 0.000 1.672 0.000) 1.672 8.878 ( 0.000 -0.569 0.000) 0.569 8.880 ( 0.000 -0.567 0.000) 0.567 11.605 ( 0.000 -0.377 0.000) 0.377 11.606 ( 0.000 -0.466 0.000) 0.466 11.692 ( 0.000 0.383 0.000) 0.383 11.695 ( 0.000 0.235 0.000) 0.235 11.930 ( 0.000 0.641 0.000) 0.641 11.953 ( 0.000 -0.263 0.000) 0.263 11.978 ( 0.000 0.340 0.000) 0.340 11.993 ( 0.000 -0.221 0.000) 0.221 13.660 ( 0.000 1.063 0.000) 1.063 13.718 ( 0.000 -1.329 0.000) 1.329 13.792 ( 0.000 2.312 0.000) 2.312 13.903 ( 0.000 -2.151 0.000) 2.151 15.551 ( 0.000 -0.035 0.000) 0.035 15.552 ( 0.000 -0.121 0.000) 0.121 15.664 ( 0.000 0.966 0.000) 0.966 15.699 ( 0.000 -0.437 0.000) 0.437 16.908 ( 0.000 -0.552 0.000) 0.552 16.928 ( 0.000 -1.389 0.000) 1.389 17.067 ( 0.000 1.834 0.000) 1.834 17.082 ( 0.000 1.364 0.000) 1.364 17.288 ( 0.000 0.855 0.000) 0.855 17.342 ( 0.000 -1.357 0.000) 1.357 17.347 ( 0.000 1.968 0.000) 1.968 17.493 ( 0.000 -3.997 0.000) 3.997 17.532 ( 0.000 1.871 0.000) 1.871 17.637 ( 0.000 -2.318 0.000) 2.318 17.647 ( 0.000 3.485 0.000) 3.485 17.769 ( 0.000 -1.698 0.000) 1.698 18.118 ( 0.000 1.895 0.000) 1.895 18.255 ( 0.000 -4.158 0.000) 4.158 18.451 ( 0.000 3.628 0.000) 3.628 18.564 ( 0.000 -1.524 0.000) 1.524 ======================= Grid point 6 (5/48) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( -2.626 15.398 -0.111) 15.620 0.572 ( 8.836 16.300 2.407) 18.697 0.815 ( 9.841 9.642 -2.397) 13.984 1.072 ( 3.971 -4.243 -1.065) 5.908 1.266 ( -1.934 -13.737 1.522) 13.956 1.347 ( 1.541 -3.126 -5.141) 6.211 1.656 ( -1.081 0.557 -1.496) 1.927 1.726 ( -1.446 0.057 4.507) 4.733 1.751 ( -3.329 6.875 -1.987) 7.892 1.852 ( 0.302 5.368 0.648) 5.415 1.951 ( 2.189 1.062 4.775) 5.359 1.995 ( 1.444 -1.022 -0.789) 1.937 2.029 ( 0.648 -2.327 -2.093) 3.196 2.127 ( 1.164 -3.147 1.783) 3.800 2.199 ( 0.078 -1.037 0.675) 1.240 2.246 ( -1.800 -2.014 -2.449) 3.646 2.350 ( 1.352 1.252 -5.014) 5.342 2.394 ( -0.006 -1.898 -2.562) 3.189 2.457 ( -0.580 -2.443 0.718) 2.612 2.509 ( -0.409 -2.004 -0.216) 2.057 2.550 ( -0.575 1.858 -1.366) 2.377 2.656 ( -1.837 0.809 -3.775) 4.275 2.693 ( -1.257 -5.902 2.887) 6.689 2.730 ( -1.414 0.217 1.608) 2.153 2.796 ( -5.708 2.147 5.264) 8.056 2.853 ( -0.208 1.399 0.651) 1.557 2.926 ( 2.969 -3.262 0.869) 4.496 2.983 ( 1.536 0.102 2.013) 2.534 3.053 ( -0.545 -0.073 -2.933) 2.984 3.096 ( 0.030 3.848 2.201) 4.433 3.142 ( -0.411 -0.725 1.598) 1.802 3.171 ( 1.088 3.628 -0.701) 3.852 3.251 ( 3.120 -0.607 1.275) 3.425 3.290 ( 0.951 -1.041 0.555) 1.516 3.328 ( -0.454 -4.888 -1.807) 5.231 3.382 ( 0.097 0.504 3.399) 3.438 3.388 ( -0.421 -3.380 -4.882) 5.953 3.470 ( 0.009 -0.587 2.274) 2.348 3.508 ( -1.432 0.614 0.164) 1.567 3.552 ( -0.432 -0.336 -0.683) 0.875 3.750 ( -2.716 2.249 -1.719) 3.923 3.816 ( -2.815 0.487 -2.479) 3.783 3.944 ( 2.197 -1.105 2.442) 3.466 3.956 ( 1.230 -3.056 1.182) 3.500 3.975 ( 0.236 2.295 0.236) 2.319 4.067 ( -4.725 1.618 -1.404) 5.188 4.081 ( -2.043 -1.387 -1.569) 2.925 4.108 ( -0.841 -2.661 -0.595) 2.853 4.301 ( 0.577 4.163 -1.252) 4.385 4.306 ( 1.306 1.292 0.741) 1.981 4.389 ( 0.324 0.030 -4.502) 4.514 4.412 ( 0.287 -0.084 3.420) 3.433 4.504 ( -1.113 5.392 -1.365) 5.672 4.632 ( 0.567 -1.825 1.370) 2.352 4.727 ( 0.343 1.918 1.395) 2.396 4.834 ( 0.917 -1.568 1.802) 2.558 4.868 ( 1.071 0.099 1.337) 1.716 4.906 ( -0.178 -1.637 0.200) 1.659 4.963 ( 0.388 2.992 -0.314) 3.034 5.051 ( 1.001 -0.428 1.164) 1.594 5.112 ( 1.670 0.478 2.556) 3.091 5.131 ( 1.307 -0.030 -1.193) 1.770 5.194 ( 0.758 -0.389 2.401) 2.548 5.215 ( 0.007 -0.083 -0.792) 0.797 5.251 ( -1.012 -1.646 -2.907) 3.490 5.262 ( -0.075 -2.300 -2.225) 3.201 5.398 ( -0.629 2.351 -1.498) 2.858 5.466 ( -0.254 -0.919 -0.805) 1.248 5.689 ( -3.009 0.924 -0.166) 3.152 5.819 ( -0.545 -4.483 1.741) 4.840 6.010 ( 3.169 2.532 0.615) 4.103 6.108 ( 1.708 -2.333 -1.080) 3.087 6.244 ( -3.052 4.794 -1.876) 5.985 6.314 ( -1.985 -0.063 0.544) 2.059 6.325 ( -1.138 0.062 0.725) 1.351 6.433 ( 4.192 -3.473 0.635) 5.481 6.932 ( -0.045 -0.469 -0.112) 0.484 6.957 ( -0.416 -0.441 -0.366) 0.708 7.063 ( -0.472 4.635 0.708) 4.712 7.198 ( 0.365 -1.763 -0.002) 1.800 7.282 ( 0.650 1.850 -1.871) 2.710 7.310 ( 1.265 0.513 -3.172) 3.454 7.360 ( -1.190 1.054 1.466) 2.163 7.407 ( -1.265 -0.844 0.415) 1.577 7.465 ( 0.852 -0.065 -0.912) 1.250 7.500 ( 1.095 -1.159 1.244) 2.022 7.670 ( -3.810 4.797 -1.205) 6.243 7.817 ( -2.231 -2.865 1.974) 4.133 7.981 ( 0.160 -1.589 -0.642) 1.721 7.986 ( 0.200 -2.001 -0.147) 2.016 8.100 ( 1.209 2.231 0.070) 2.538 8.130 ( 0.749 1.792 -0.129) 1.947 8.260 ( 0.147 -0.390 0.626) 0.751 8.301 ( 1.690 -2.805 1.037) 3.435 8.365 ( 0.791 -0.309 0.803) 1.169 8.441 ( 0.162 -3.310 1.041) 3.474 8.729 ( 0.007 2.583 0.531) 2.637 8.743 ( -0.031 1.378 -1.182) 1.816 8.869 ( -0.562 -0.164 0.334) 0.674 8.882 ( 0.093 -0.626 -0.285) 0.694 11.576 ( -1.854 -0.056 -1.414) 2.332 11.582 ( -1.828 -0.142 -0.394) 1.875 11.689 ( 0.432 1.556 0.467) 1.681 11.710 ( 1.035 0.099 1.627) 1.931 11.937 ( 0.557 0.783 0.886) 1.307 11.953 ( -0.001 0.208 0.488) 0.530 11.986 ( 0.141 -0.167 -0.558) 0.599 11.996 ( 0.601 -0.255 -0.388) 0.760 13.673 ( 1.228 0.888 -1.197) 1.931 13.721 ( 0.305 -1.143 -0.184) 1.197 13.776 ( -1.222 2.180 0.670) 2.588 13.838 ( -3.451 1.222 5.970) 7.004 15.557 ( 0.521 0.129 0.566) 0.780 15.566 ( 1.122 0.012 0.673) 1.308 15.655 ( -0.808 0.624 -0.003) 1.021 15.687 ( -0.894 -0.435 -0.657) 1.192 16.907 ( 0.124 -0.476 -0.205) 0.533 16.930 ( 0.145 -1.404 0.450) 1.481 17.039 ( -1.372 2.926 -0.760) 3.320 17.085 ( -0.115 1.303 0.332) 1.349 17.290 ( 0.118 0.614 0.061) 0.628 17.334 ( -0.299 1.512 0.796) 1.734 17.350 ( 0.279 -0.666 -0.567) 0.919 17.467 ( -0.901 -2.435 0.330) 2.617 17.539 ( 0.867 2.570 -1.261) 2.991 17.612 ( -0.611 2.499 1.017) 2.767 17.767 ( 4.038 -6.335 -4.984) 9.015 17.776 ( 1.077 -2.623 -1.113) 3.047 18.134 ( 1.493 1.548 0.952) 2.352 18.254 ( -0.169 -3.834 -0.208) 3.843 18.421 ( -2.497 3.251 0.252) 4.107 18.460 ( -5.680 3.479 -0.538) 6.682 ======================= Grid point 7 (6/48) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 4.579 4.896 6.547) 9.370 0.696 ( 2.061 8.825 -0.042) 9.063 0.897 ( 0.645 -9.633 -2.823) 10.059 1.040 ( -5.691 -3.009 1.300) 6.568 1.338 ( 7.327 -1.678 -5.450) 9.285 1.471 ( 5.018 5.247 1.276) 7.372 1.648 ( 0.706 2.568 -2.402) 3.587 1.684 ( -2.164 3.843 -1.384) 4.623 1.704 ( -0.841 -2.239 4.620) 5.203 1.876 ( 1.978 1.934 1.200) 3.015 1.936 ( -1.152 1.296 1.201) 2.110 2.032 ( -0.237 0.550 -0.103) 0.608 2.069 ( 2.085 0.228 1.532) 2.597 2.119 ( -1.588 1.697 -1.069) 2.558 2.208 ( 1.849 -3.132 -1.741) 4.032 2.259 ( 2.603 -2.589 0.609) 3.721 2.334 ( -3.093 -1.659 -5.932) 6.893 2.383 ( -0.979 -3.797 -3.162) 5.037 2.422 ( -1.387 0.536 2.682) 3.066 2.471 ( -1.261 1.788 -0.801) 2.330 2.550 ( -1.015 -2.227 1.729) 2.996 2.607 ( -3.666 -1.486 -0.580) 3.998 2.625 ( -2.366 1.899 2.017) 3.643 2.688 ( -1.072 0.707 -0.313) 1.322 2.784 ( 3.917 1.328 0.108) 4.137 2.850 ( -1.080 3.338 3.120) 4.695 2.950 ( -2.710 0.054 -1.182) 2.957 3.010 ( 3.305 -5.512 -1.391) 6.576 3.053 ( 1.065 -1.194 4.036) 4.342 3.100 ( -0.266 0.566 -1.439) 1.569 3.139 ( 0.066 3.979 2.999) 4.983 3.171 ( -1.018 2.967 -0.645) 3.203 3.287 ( 0.894 -5.319 0.470) 5.414 3.301 ( 0.142 -1.981 -1.350) 2.402 3.318 ( -1.572 -1.645 3.027) 3.787 3.350 ( 0.072 -0.187 -4.687) 4.691 3.404 ( 0.171 -4.121 1.617) 4.430 3.477 ( 0.120 -1.509 -0.065) 1.515 3.498 ( 0.703 3.373 0.524) 3.485 3.574 ( 1.877 -0.233 -0.107) 1.895 3.677 ( -3.264 2.572 -0.818) 4.235 3.756 ( -2.278 -0.018 -0.590) 2.353 3.954 ( -0.300 1.423 0.175) 1.465 3.981 ( 0.530 -0.441 1.169) 1.357 3.991 ( 0.353 -1.051 -0.187) 1.124 4.019 ( 0.363 -0.429 1.994) 2.072 4.054 ( -1.024 -1.671 -4.011) 4.464 4.091 ( -0.534 -2.821 -0.015) 2.872 4.323 ( 1.173 1.153 0.825) 1.840 4.333 ( 0.828 0.998 -0.640) 1.446 4.386 ( -0.145 1.243 -1.945) 2.313 4.424 ( 0.256 0.268 1.246) 1.300 4.484 ( -0.536 4.355 -0.797) 4.460 4.633 ( -0.210 -1.800 0.522) 1.886 4.733 ( 0.157 2.259 0.060) 2.266 4.855 ( 0.669 -2.187 1.068) 2.524 4.891 ( 0.722 0.115 1.140) 1.355 4.904 ( 0.173 -0.388 -0.018) 0.425 4.971 ( 0.222 3.064 0.111) 3.074 5.054 ( -0.258 -0.080 0.157) 0.313 5.147 ( 0.804 0.224 1.802) 1.986 5.169 ( 1.810 -1.292 -0.595) 2.302 5.204 ( 0.039 -1.167 1.214) 1.684 5.218 ( 0.246 0.452 0.311) 0.601 5.234 ( -0.344 -0.787 -0.965) 1.292 5.252 ( -0.422 -1.154 -2.089) 2.423 5.384 ( -0.509 2.225 -0.690) 2.384 5.458 ( -0.363 -1.227 -0.642) 1.432 5.634 ( -1.631 1.528 -0.159) 2.240 5.806 ( -0.461 -6.459 0.797) 6.524 6.064 ( 1.529 2.285 0.337) 2.770 6.148 ( 1.637 -1.937 -0.468) 2.579 6.205 ( -0.805 6.623 -0.584) 6.697 6.271 ( -1.573 0.630 0.581) 1.792 6.299 ( -0.954 -0.083 -0.514) 1.087 6.499 ( 1.714 -5.875 0.416) 6.134 6.932 ( 0.088 -0.003 -0.011) 0.089 6.953 ( -0.033 -0.365 -0.206) 0.421 7.052 ( -0.403 5.184 0.275) 5.207 7.205 ( 0.205 -2.106 0.063) 2.116 7.299 ( 0.955 1.976 -2.206) 3.112 7.324 ( -1.174 0.672 0.186) 1.366 7.343 ( 1.136 1.607 0.147) 1.974 7.376 ( -1.533 0.187 0.561) 1.643 7.492 ( 1.365 0.397 -0.940) 1.704 7.516 ( -0.090 -1.054 1.117) 1.538 7.627 ( -0.314 2.465 -1.011) 2.682 7.765 ( -2.105 -3.667 1.365) 4.442 7.985 ( 0.168 -1.671 0.256) 1.699 7.988 ( 0.060 -1.563 -0.654) 1.695 8.124 ( 0.857 2.338 0.002) 2.490 8.136 ( -0.041 2.283 0.084) 2.285 8.262 ( 0.039 -0.698 0.022) 0.699 8.314 ( 0.085 -2.325 0.089) 2.329 8.381 ( 0.485 -0.292 0.659) 0.869 8.447 ( 0.235 -3.040 0.401) 3.076 8.730 ( 0.049 2.396 0.468) 2.441 8.741 ( -0.116 1.320 -0.711) 1.504 8.860 ( -0.243 0.020 0.138) 0.280 8.883 ( -0.013 -0.670 -0.112) 0.679 11.547 ( -0.710 -0.075 -0.558) 0.907 11.551 ( -0.869 -0.023 -0.169) 0.886 11.702 ( 0.441 1.216 0.335) 1.336 11.726 ( 0.388 -0.029 0.499) 0.633 11.949 ( 0.448 1.126 0.716) 1.408 11.953 ( 0.041 0.728 0.276) 0.779 11.983 ( -0.215 -0.294 -0.592) 0.695 12.011 ( 0.486 -0.852 -0.203) 1.002 13.706 ( 1.693 0.400 -2.358) 2.930 13.727 ( 0.012 -0.542 0.674) 0.864 13.753 ( -0.713 1.278 1.094) 1.827 13.784 ( -1.717 1.022 2.638) 3.309 15.569 ( 0.481 0.484 0.414) 0.798 15.594 ( 1.377 0.814 0.418) 1.653 15.632 ( -1.245 -0.324 -0.116) 1.292 15.669 ( -0.638 -0.729 -0.521) 1.100 16.915 ( 0.557 -0.414 -0.411) 0.806 16.928 ( -0.390 -0.952 0.548) 1.165 17.021 ( -0.350 2.996 -0.366) 3.038 17.081 ( -0.200 0.367 0.152) 0.445 17.291 ( -0.042 0.419 0.020) 0.421 17.334 ( 0.161 2.139 0.414) 2.185 17.354 ( 0.095 -1.488 -0.306) 1.522 17.457 ( -0.246 -3.189 -0.021) 3.199 17.561 ( 0.983 3.192 -1.065) 3.506 17.597 ( -0.671 3.264 0.738) 3.413 17.789 ( 0.581 -2.246 0.646) 2.408 17.814 ( 0.492 -5.771 -2.868) 6.463 18.177 ( 2.264 0.280 0.593) 2.357 18.239 ( -1.316 -2.343 -0.160) 2.692 18.373 ( -1.390 2.612 0.324) 2.977 18.382 ( -1.830 2.245 -0.295) 2.911 ======================= Grid point 10 (7/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 -15.283 0.000) 15.283 0.642 ( 0.000 15.283 0.000) 15.283 0.914 ( 0.000 -20.139 0.000) 20.139 0.914 ( 0.000 20.139 0.000) 20.139 1.193 ( 0.000 -14.963 0.000) 14.963 1.193 ( 0.000 14.963 0.000) 14.963 1.681 ( 0.000 -0.888 0.000) 0.888 1.681 ( 0.000 0.888 0.000) 0.888 1.924 ( 0.000 -2.697 0.000) 2.697 1.924 ( 0.000 2.697 0.000) 2.697 1.961 ( 0.000 -0.051 0.000) 0.051 1.961 ( 0.000 0.051 0.000) 0.051 2.006 ( 0.000 -2.867 0.000) 2.867 2.006 ( 0.000 2.867 0.000) 2.867 2.206 ( 0.000 -1.414 0.000) 1.414 2.206 ( 0.000 1.414 0.000) 1.414 2.371 ( 0.000 -2.280 0.000) 2.280 2.371 ( 0.000 2.280 0.000) 2.280 2.404 ( 0.000 -0.876 0.000) 0.876 2.404 ( 0.000 0.876 0.000) 0.876 2.616 ( 0.000 -1.289 0.000) 1.289 2.616 ( 0.000 1.289 0.000) 1.289 2.756 ( 0.000 -3.851 0.000) 3.851 2.756 ( 0.000 3.851 0.000) 3.851 2.808 ( 0.000 -1.850 0.000) 1.850 2.808 ( 0.000 1.850 0.000) 1.850 2.981 ( 0.000 -0.866 0.000) 0.866 2.981 ( 0.000 0.866 0.000) 0.866 3.084 ( 0.000 -1.774 0.000) 1.774 3.084 ( 0.000 1.774 0.000) 1.774 3.194 ( 0.000 -1.841 0.000) 1.841 3.194 ( 0.000 1.841 0.000) 1.841 3.220 ( 0.000 -1.434 0.000) 1.434 3.220 ( 0.000 1.434 0.000) 1.434 3.317 ( 0.000 -2.722 0.000) 2.722 3.317 ( 0.000 2.722 0.000) 2.722 3.431 ( 0.000 -2.094 0.000) 2.094 3.431 ( 0.000 2.094 0.000) 2.094 3.549 ( 0.000 -0.962 0.000) 0.962 3.549 ( 0.000 0.962 0.000) 0.962 3.838 ( 0.000 -2.229 0.000) 2.229 3.838 ( 0.000 2.229 0.000) 2.229 3.890 ( 0.000 -0.042 0.000) 0.042 3.890 ( 0.000 0.042 0.000) 0.042 4.041 ( 0.000 -3.734 0.000) 3.734 4.041 ( 0.000 3.734 0.000) 3.734 4.116 ( 0.000 -2.246 0.000) 2.246 4.116 ( 0.000 2.246 0.000) 2.246 4.326 ( 0.000 -0.710 0.000) 0.710 4.326 ( 0.000 0.710 0.000) 0.710 4.402 ( 0.000 -0.538 0.000) 0.538 4.402 ( 0.000 0.538 0.000) 0.538 4.603 ( 0.000 -1.038 0.000) 1.038 4.603 ( 0.000 1.038 0.000) 1.038 4.765 ( 0.000 -3.892 0.000) 3.892 4.765 ( 0.000 3.892 0.000) 3.892 4.865 ( 0.000 -1.226 0.000) 1.226 4.865 ( 0.000 1.226 0.000) 1.226 5.006 ( 0.000 -1.992 0.000) 1.992 5.006 ( 0.000 1.992 0.000) 1.992 5.119 ( 0.000 -0.698 0.000) 0.698 5.119 ( 0.000 0.698 0.000) 0.698 5.188 ( 0.000 -0.418 0.000) 0.418 5.188 ( 0.000 0.418 0.000) 0.418 5.245 ( 0.000 -0.866 0.000) 0.866 5.245 ( 0.000 0.866 0.000) 0.866 5.446 ( 0.000 -1.557 0.000) 1.557 5.446 ( 0.000 1.557 0.000) 1.557 5.768 ( 0.000 -2.519 0.000) 2.519 5.768 ( 0.000 2.519 0.000) 2.519 6.027 ( 0.000 -3.140 0.000) 3.140 6.027 ( 0.000 3.140 0.000) 3.140 6.333 ( 0.000 -0.486 0.000) 0.486 6.333 ( 0.000 0.486 0.000) 0.486 6.345 ( 0.000 -0.279 0.000) 0.279 6.345 ( 0.000 0.279 0.000) 0.279 6.941 ( 0.000 -1.197 0.000) 1.197 6.941 ( 0.000 1.197 0.000) 1.197 7.148 ( 0.000 -3.161 0.000) 3.161 7.148 ( 0.000 3.161 0.000) 3.161 7.296 ( 0.000 -0.332 0.000) 0.332 7.296 ( 0.000 0.332 0.000) 0.332 7.396 ( 0.000 -1.480 0.000) 1.480 7.396 ( 0.000 1.480 0.000) 1.480 7.466 ( 0.000 -0.382 0.000) 0.382 7.466 ( 0.000 0.382 0.000) 0.382 7.790 ( 0.000 -2.505 0.000) 2.505 7.790 ( 0.000 2.505 0.000) 2.505 7.960 ( 0.000 -0.074 0.000) 0.074 7.960 ( 0.000 0.074 0.000) 0.074 8.115 ( 0.000 -0.561 0.000) 0.561 8.115 ( 0.000 0.561 0.000) 0.561 8.266 ( 0.000 -0.140 0.000) 0.140 8.266 ( 0.000 0.140 0.000) 0.140 8.370 ( 0.000 -2.159 0.000) 2.159 8.370 ( 0.000 2.159 0.000) 2.159 8.764 ( 0.000 -0.148 0.000) 0.148 8.764 ( 0.000 0.148 0.000) 0.148 8.870 ( 0.000 -0.059 0.000) 0.059 8.870 ( 0.000 0.059 0.000) 0.059 11.600 ( 0.000 -0.002 0.000) 0.002 11.600 ( 0.000 0.002 0.000) 0.002 11.697 ( 0.000 -0.051 0.000) 0.051 11.697 ( 0.000 0.051 0.000) 0.051 11.944 ( 0.000 -0.633 0.000) 0.633 11.944 ( 0.000 0.633 0.000) 0.633 11.986 ( 0.000 -0.383 0.000) 0.383 11.986 ( 0.000 0.383 0.000) 0.383 13.688 ( 0.000 -1.517 0.000) 1.517 13.688 ( 0.000 1.517 0.000) 1.517 13.848 ( 0.000 -2.977 0.000) 2.977 13.848 ( 0.000 2.977 0.000) 2.977 15.551 ( 0.000 -0.004 0.000) 0.004 15.551 ( 0.000 0.004 0.000) 0.004 15.685 ( 0.000 -0.931 0.000) 0.931 15.685 ( 0.000 0.931 0.000) 0.931 16.907 ( 0.000 -0.507 0.000) 0.507 16.907 ( 0.000 0.507 0.000) 0.507 17.094 ( 0.000 -0.481 0.000) 0.481 17.094 ( 0.000 0.481 0.000) 0.481 17.311 ( 0.000 -1.442 0.000) 1.442 17.311 ( 0.000 1.442 0.000) 1.442 17.410 ( 0.000 -3.876 0.000) 3.876 17.410 ( 0.000 3.876 0.000) 3.876 17.582 ( 0.000 -2.763 0.000) 2.763 17.582 ( 0.000 2.763 0.000) 2.763 17.717 ( 0.000 -3.180 0.000) 3.180 17.717 ( 0.000 3.180 0.000) 3.180 18.174 ( 0.000 -3.480 0.000) 3.480 18.174 ( 0.000 3.480 0.000) 3.480 18.519 ( 0.000 -2.816 0.000) 2.816 18.519 ( 0.000 2.816 0.000) 2.816 ======================= Grid point 12 (8/48) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -3.030 -16.199 -1.450) 16.544 0.631 ( -3.030 16.199 -1.450) 16.544 0.938 ( 2.121 -16.877 0.313) 17.013 0.938 ( 2.121 16.877 0.313) 17.013 1.237 ( 5.348 -9.853 -3.300) 11.686 1.237 ( 5.348 9.853 -3.300) 11.686 1.689 ( 0.303 -3.253 3.160) 4.545 1.689 ( 0.303 3.253 3.160) 4.545 1.894 ( -2.014 -6.077 -1.900) 6.678 1.894 ( -2.014 6.077 -1.900) 6.678 1.952 ( 0.299 -3.473 -0.906) 3.602 1.952 ( 0.299 3.473 -0.906) 3.602 2.055 ( 3.068 -3.917 3.781) 6.249 2.055 ( 3.068 3.917 3.781) 6.249 2.195 ( -0.707 -1.598 -1.645) 2.400 2.195 ( -0.707 1.598 -1.645) 2.400 2.367 ( -0.686 -0.197 -3.462) 3.535 2.367 ( -0.686 0.197 -3.462) 3.535 2.442 ( 1.986 -2.575 1.772) 3.704 2.442 ( 1.986 2.575 1.772) 3.704 2.595 ( -2.162 -2.481 -1.036) 3.450 2.595 ( -2.162 2.481 -1.036) 3.450 2.721 ( -1.005 -2.794 -0.168) 2.974 2.721 ( -1.005 2.794 -0.168) 2.974 2.825 ( -0.287 -3.260 5.125) 6.081 2.825 ( -0.287 3.260 5.125) 6.081 2.962 ( -0.539 -4.520 -2.210) 5.060 2.962 ( -0.539 4.520 -2.210) 5.060 3.075 ( -0.985 -3.929 0.296) 4.061 3.075 ( -0.985 3.929 0.296) 4.061 3.197 ( 0.810 -2.244 3.061) 3.881 3.197 ( 0.810 2.244 3.061) 3.881 3.236 ( 0.121 -2.508 -1.111) 2.746 3.236 ( 0.121 2.508 -1.111) 2.746 3.322 ( 0.452 -3.023 -4.180) 5.178 3.322 ( 0.452 3.023 -4.180) 5.178 3.424 ( -0.572 -2.270 3.467) 4.183 3.424 ( -0.572 2.270 3.467) 4.183 3.535 ( -0.288 -1.298 -0.775) 1.539 3.535 ( -0.288 1.298 -0.775) 1.539 3.804 ( -3.004 -2.028 -0.222) 3.631 3.804 ( -3.004 2.028 -0.222) 3.631 3.923 ( 2.471 -0.303 0.181) 2.496 3.923 ( 2.471 0.303 0.181) 2.496 4.033 ( -0.928 -2.970 0.513) 3.154 4.033 ( -0.928 2.970 0.513) 3.154 4.076 ( -2.619 -0.526 -1.546) 3.086 4.076 ( -2.619 0.526 -1.546) 3.086 4.331 ( 0.347 -0.732 -0.613) 1.016 4.331 ( 0.347 0.732 -0.613) 1.016 4.404 ( 0.252 -0.743 0.058) 0.787 4.404 ( 0.252 0.743 0.058) 0.787 4.595 ( -0.598 -2.633 -1.092) 2.912 4.595 ( -0.598 2.633 -1.092) 2.912 4.778 ( 0.830 -3.472 2.183) 4.184 4.778 ( 0.830 3.472 2.183) 4.184 4.875 ( 0.879 -0.834 0.373) 1.268 4.875 ( 0.879 0.834 0.373) 1.268 5.023 ( 1.002 -2.385 0.342) 2.610 5.023 ( 1.002 2.385 0.342) 2.610 5.126 ( 0.968 -0.637 1.429) 1.840 5.126 ( 0.968 0.637 1.429) 1.840 5.194 ( 0.436 -0.884 -1.472) 1.771 5.194 ( 0.436 0.884 -1.472) 1.771 5.241 ( -0.298 -0.724 -0.468) 0.912 5.241 ( -0.298 0.724 -0.468) 0.912 5.440 ( -0.561 -1.651 -0.894) 1.960 5.440 ( -0.561 1.651 -0.894) 1.960 5.735 ( -2.428 -3.372 0.370) 4.172 5.735 ( -2.428 3.372 0.370) 4.172 6.060 ( 2.479 -2.387 -0.362) 3.460 6.060 ( 2.479 2.387 -0.362) 3.460 6.319 ( -1.779 -0.415 0.449) 1.881 6.319 ( -1.779 0.415 0.449) 1.881 6.346 ( 0.798 -4.602 -0.060) 4.671 6.346 ( 0.798 4.602 -0.060) 4.671 6.940 ( 0.002 -0.931 -0.278) 0.971 6.940 ( 0.002 0.931 -0.278) 0.971 7.147 ( -0.075 -3.322 0.360) 3.343 7.147 ( -0.075 3.322 0.360) 3.343 7.310 ( 1.026 -0.803 -3.001) 3.272 7.310 ( 1.026 0.803 -3.001) 3.272 7.385 ( -0.789 -1.238 1.506) 2.103 7.385 ( -0.789 1.238 1.506) 2.103 7.475 ( 0.886 -1.180 0.725) 1.644 7.475 ( 0.886 1.180 0.725) 1.644 7.750 ( -3.128 -3.443 0.151) 4.655 7.750 ( -3.128 3.443 0.151) 4.655 7.965 ( 0.330 -0.148 -0.454) 0.581 7.965 ( 0.330 0.148 -0.454) 0.581 8.135 ( 1.371 -1.018 -0.018) 1.707 8.135 ( 1.371 1.018 -0.018) 1.707 8.267 ( 0.086 -1.023 0.323) 1.076 8.267 ( 0.086 1.023 0.323) 1.076 8.380 ( 0.749 -2.032 0.511) 2.225 8.380 ( 0.749 2.032 0.511) 2.225 8.762 ( -0.159 -0.221 0.011) 0.272 8.762 ( -0.159 0.221 0.011) 0.272 8.869 ( -0.108 -0.401 -0.070) 0.421 8.869 ( -0.108 0.401 -0.070) 0.421 11.577 ( -1.658 -0.220 -0.881) 1.891 11.577 ( -1.658 0.220 -0.881) 1.891 11.708 ( 0.764 -0.382 0.781) 1.158 11.708 ( 0.764 0.382 0.781) 1.158 11.951 ( 0.628 -0.471 0.711) 1.059 11.951 ( 0.628 0.471 0.711) 1.059 11.988 ( 0.068 -0.401 -0.509) 0.652 11.988 ( 0.068 0.401 -0.509) 0.652 13.696 ( 0.791 -1.241 -0.638) 1.604 13.696 ( 0.791 1.241 -0.638) 1.604 13.822 ( -2.014 -2.065 1.777) 3.388 13.822 ( -2.014 2.065 1.777) 3.388 15.562 ( 0.982 -0.307 0.730) 1.262 15.562 ( 0.982 0.307 0.730) 1.262 15.673 ( -1.037 -0.914 -0.351) 1.426 15.673 ( -1.037 0.914 -0.351) 1.426 16.909 ( 0.236 -0.619 0.177) 0.686 16.909 ( 0.236 0.619 0.177) 0.686 17.086 ( -0.725 -1.325 -0.436) 1.572 17.086 ( -0.725 1.325 -0.436) 1.572 17.313 ( 0.134 -1.541 0.183) 1.558 17.313 ( 0.134 1.541 0.183) 1.558 17.400 ( -0.633 -3.502 0.291) 3.570 17.400 ( -0.633 3.502 0.291) 3.570 17.605 ( 1.564 -3.275 -0.977) 3.759 17.605 ( 1.564 3.275 -0.977) 3.759 17.726 ( 0.779 -2.229 -0.919) 2.534 17.726 ( 0.779 2.229 -0.919) 2.534 18.182 ( 0.686 -3.045 0.483) 3.158 18.182 ( 0.686 3.045 0.483) 3.158 18.472 ( -3.640 -1.447 -0.139) 3.920 18.472 ( -3.640 1.447 -0.139) 3.920 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -3.361 -14.947 -0.383) 15.325 0.542 ( -3.361 14.947 -0.383) 15.325 0.950 ( -0.533 -8.405 0.511) 8.437 0.950 ( -0.533 8.405 0.511) 8.437 1.405 ( 7.377 -7.968 -4.020) 11.579 1.405 ( 7.377 7.968 -4.020) 11.579 1.673 ( -1.625 -1.293 4.097) 4.594 1.673 ( -1.625 1.293 4.097) 4.594 1.853 ( -1.379 -7.569 -1.926) 7.931 1.853 ( -1.379 7.569 -1.926) 7.931 1.998 ( 3.267 -5.430 1.467) 6.504 1.998 ( 3.267 5.430 1.467) 6.504 2.106 ( 0.574 -6.582 -1.463) 6.767 2.106 ( 0.574 6.582 -1.463) 6.767 2.186 ( 0.905 -3.324 2.084) 4.027 2.186 ( 0.905 3.324 2.084) 4.027 2.319 ( -3.469 -1.688 -3.370) 5.122 2.319 ( -3.469 1.688 -3.370) 5.122 2.464 ( 0.786 -2.829 -1.785) 3.436 2.464 ( 0.786 2.829 -1.785) 3.436 2.528 ( -3.231 -2.181 2.930) 4.877 2.528 ( -3.231 2.181 2.930) 4.877 2.726 ( 0.190 -4.384 0.713) 4.446 2.726 ( 0.190 4.384 0.713) 4.446 2.822 ( 1.067 -6.646 -0.086) 6.732 2.822 ( 1.067 6.646 -0.086) 6.732 2.973 ( 0.589 -4.452 1.557) 4.753 2.973 ( 0.589 4.452 1.557) 4.753 3.041 ( -1.538 -4.218 -1.131) 4.629 3.041 ( -1.538 4.218 -1.131) 4.629 3.198 ( -0.750 -1.613 1.807) 2.536 3.198 ( -0.750 1.613 1.807) 2.536 3.238 ( 0.448 -0.441 -0.548) 0.834 3.238 ( 0.448 0.441 -0.548) 0.834 3.329 ( 0.113 -1.273 -2.013) 2.384 3.329 ( 0.113 1.273 -2.013) 2.384 3.415 ( -0.236 -4.072 1.356) 4.299 3.415 ( -0.236 4.072 1.356) 4.299 3.557 ( 1.775 -2.079 -0.536) 2.786 3.557 ( 1.775 2.079 -0.536) 2.786 3.730 ( -3.094 -2.037 0.310) 3.717 3.730 ( -3.094 2.037 0.310) 3.717 3.969 ( 1.587 -0.302 2.235) 2.758 3.969 ( 1.587 0.302 2.235) 2.758 4.005 ( -1.279 -2.258 -2.560) 3.645 4.005 ( -1.279 2.258 -2.560) 3.645 4.042 ( -0.664 -2.222 -0.458) 2.364 4.042 ( -0.664 2.222 -0.458) 2.364 4.338 ( 0.239 -0.653 -0.253) 0.740 4.338 ( 0.239 0.653 -0.253) 0.740 4.412 ( 0.377 -1.019 0.213) 1.107 4.412 ( 0.377 1.019 0.213) 1.107 4.583 ( -0.405 -3.702 -0.646) 3.779 4.583 ( -0.405 3.702 -0.646) 3.779 4.788 ( 0.174 -3.449 0.843) 3.555 4.788 ( 0.174 3.449 0.843) 3.555 4.896 ( 0.794 -0.373 0.553) 1.037 4.896 ( 0.794 0.373 0.553) 1.037 5.033 ( 0.048 -2.315 0.096) 2.318 5.033 ( 0.048 2.315 0.096) 2.318 5.153 ( 1.029 -0.227 0.873) 1.368 5.153 ( 1.029 0.227 0.873) 1.368 5.201 ( 0.215 -1.267 -0.438) 1.358 5.201 ( 0.215 1.267 -0.438) 1.358 5.236 ( -0.148 -0.740 -0.529) 0.921 5.236 ( -0.148 0.740 -0.529) 0.921 5.427 ( -0.502 -1.840 -0.591) 1.997 5.427 ( -0.502 1.840 -0.591) 1.997 5.693 ( -1.146 -4.298 0.153) 4.451 5.693 ( -1.146 4.298 0.153) 4.451 6.106 ( 1.408 -2.037 -0.079) 2.477 6.106 ( 1.408 2.037 -0.079) 2.477 6.282 ( -1.210 -1.338 -0.091) 1.807 6.282 ( -1.210 1.338 -0.091) 1.807 6.363 ( 0.513 -6.961 0.217) 6.984 6.363 ( 0.513 6.961 0.217) 6.984 6.942 ( 0.091 -0.686 -0.136) 0.705 6.942 ( 0.091 0.686 -0.136) 0.705 7.146 ( -0.041 -3.761 0.211) 3.768 7.146 ( -0.041 3.761 0.211) 3.768 7.323 ( 0.104 -0.654 -2.046) 2.151 7.323 ( 0.104 0.654 -2.046) 2.151 7.377 ( 0.041 -0.635 1.040) 1.219 7.377 ( 0.041 0.635 1.040) 1.219 7.499 ( 1.076 -0.606 0.616) 1.380 7.499 ( 1.076 0.606 0.616) 1.380 7.687 ( -2.171 -3.410 -0.022) 4.042 7.687 ( -2.171 3.410 -0.022) 4.042 7.970 ( 0.131 -0.148 -0.242) 0.312 7.970 ( 0.131 0.148 -0.242) 0.312 8.156 ( 0.522 -0.510 0.032) 0.731 8.156 ( 0.522 0.510 0.032) 0.731 8.269 ( 0.096 -1.607 0.182) 1.620 8.269 ( 0.096 1.607 0.182) 1.620 8.393 ( 0.392 -1.726 0.248) 1.788 8.393 ( 0.392 1.726 0.248) 1.788 8.759 ( -0.086 -0.103 0.010) 0.134 8.759 ( -0.086 0.103 0.010) 0.134 8.867 ( -0.091 -0.703 -0.045) 0.710 8.867 ( -0.091 0.703 -0.045) 0.710 11.549 ( -0.797 -0.177 -0.393) 0.906 11.549 ( -0.797 0.177 -0.393) 0.906 11.721 ( 0.357 -0.524 0.342) 0.721 11.721 ( 0.357 0.524 0.342) 0.721 11.966 ( 0.543 -0.467 0.744) 1.032 11.966 ( 0.543 0.467 0.744) 1.032 11.987 ( -0.135 -1.240 -0.631) 1.398 11.987 ( -0.135 1.240 -0.631) 1.398 13.717 ( 0.927 -0.540 -0.833) 1.358 13.717 ( 0.927 0.540 -0.833) 1.358 13.781 ( -1.460 -1.117 1.447) 2.339 13.781 ( -1.460 1.117 1.447) 2.339 15.587 ( 1.094 -1.022 0.616) 1.619 15.587 ( 1.094 1.022 0.616) 1.619 15.647 ( -1.124 -1.284 -0.432) 1.760 15.647 ( -1.124 1.284 -0.432) 1.760 16.915 ( 0.239 -0.361 0.106) 0.446 16.915 ( 0.239 0.361 0.106) 0.446 17.071 ( -0.490 -1.547 -0.246) 1.642 17.071 ( -0.490 1.547 -0.246) 1.642 17.315 ( 0.069 -1.801 0.114) 1.806 17.315 ( 0.069 1.801 0.114) 1.806 17.391 ( -0.215 -3.058 0.102) 3.067 17.391 ( -0.215 3.058 0.102) 3.067 17.628 ( 0.552 -1.975 -0.379) 2.085 17.628 ( 0.552 1.975 -0.379) 2.085 17.742 ( 0.503 -0.679 -0.641) 1.061 17.742 ( 0.503 0.679 -0.641) 1.061 18.198 ( 0.604 -1.647 0.352) 1.789 18.198 ( 0.604 1.647 0.352) 1.789 18.404 ( -2.051 -0.318 -0.103) 2.078 18.404 ( -2.051 0.318 -0.103) 2.078 ======================= Grid point 25 (10/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -1.353 0.000 21.698) 21.740 0.428 ( 3.360 0.000 22.025) 22.280 0.823 ( -2.220 0.000 40.564) 40.625 1.204 ( 1.085 0.000 5.238) 5.349 1.393 ( -2.543 0.000 -0.644) 2.624 1.564 ( 0.750 0.000 -0.087) 0.755 1.635 ( -3.762 0.000 -0.613) 3.811 1.670 ( -1.531 0.000 0.366) 1.574 1.775 ( 1.777 0.000 3.286) 3.736 1.781 ( 1.813 0.000 2.759) 3.302 1.932 ( 3.318 0.000 0.104) 3.320 1.988 ( -1.374 0.000 1.160) 1.798 2.022 ( 1.693 0.000 -1.310) 2.141 2.105 ( 3.137 0.000 -3.664) 4.823 2.259 ( -2.097 0.000 2.285) 3.102 2.282 ( -2.302 0.000 -2.904) 3.706 2.341 ( -8.273 0.000 3.814) 9.110 2.354 ( 0.694 0.000 -2.960) 3.041 2.425 ( -0.747 0.000 -2.240) 2.361 2.521 ( -0.244 0.000 -4.061) 4.069 2.523 ( -5.840 0.000 -1.206) 5.963 2.627 ( 0.971 0.000 -5.819) 5.900 2.745 ( 3.815 0.000 5.297) 6.528 2.819 ( 4.000 0.000 3.084) 5.051 2.859 ( 4.692 0.000 1.724) 4.999 2.901 ( -1.665 0.000 -1.606) 2.313 2.915 ( 1.728 0.000 -2.261) 2.846 3.001 ( -4.336 0.000 -0.481) 4.362 3.014 ( -4.429 0.000 3.131) 5.424 3.068 ( 4.534 0.000 1.314) 4.721 3.100 ( 6.546 0.000 4.534) 7.963 3.123 ( 0.879 0.000 -0.355) 0.948 3.238 ( -1.298 0.000 3.077) 3.340 3.328 ( 2.336 0.000 0.659) 2.427 3.345 ( 2.460 0.000 -3.948) 4.652 3.347 ( -3.277 0.000 -1.184) 3.484 3.416 ( -3.191 0.000 0.906) 3.317 3.444 ( 0.080 0.000 1.540) 1.542 3.628 ( 0.395 0.000 3.641) 3.663 3.648 ( -3.183 0.000 -1.558) 3.544 3.778 ( -2.554 0.000 1.944) 3.210 3.785 ( -2.079 0.000 -6.765) 7.077 3.868 ( 1.224 0.000 -4.523) 4.685 3.964 ( 0.773 0.000 -0.582) 0.967 3.979 ( 3.403 0.000 1.593) 3.757 4.023 ( -0.501 0.000 2.350) 2.403 4.080 ( -1.199 0.000 -6.303) 6.416 4.163 ( 0.660 0.000 -0.299) 0.725 4.185 ( -0.625 0.000 -0.543) 0.828 4.314 ( -0.627 0.000 3.887) 3.937 4.354 ( -0.637 0.000 0.224) 0.676 4.427 ( 0.335 0.000 1.255) 1.299 4.488 ( 0.990 0.000 2.660) 2.838 4.613 ( -0.359 0.000 -5.879) 5.890 4.704 ( 0.740 0.000 -2.845) 2.939 4.846 ( 1.273 0.000 -2.575) 2.873 4.849 ( 1.417 0.000 0.453) 1.488 4.890 ( 0.554 0.000 -0.287) 0.624 4.946 ( -1.324 0.000 0.927) 1.616 5.002 ( 0.747 0.000 -2.775) 2.874 5.076 ( 0.615 0.000 0.519) 0.805 5.141 ( 0.921 0.000 -2.446) 2.613 5.173 ( 0.280 0.000 3.877) 3.888 5.247 ( 0.564 0.000 2.605) 2.666 5.273 ( -1.356 0.000 -0.407) 1.416 5.349 ( -3.486 0.000 -0.012) 3.486 5.385 ( -1.499 0.000 3.231) 3.562 5.501 ( -0.854 0.000 1.913) 2.095 5.733 ( -0.231 0.000 -0.321) 0.396 5.896 ( 2.392 0.000 2.659) 3.577 5.898 ( 1.694 0.000 -2.060) 2.667 6.116 ( 0.151 0.000 0.672) 0.688 6.126 ( -4.972 0.000 -10.986) 12.059 6.305 ( 5.344 0.000 -3.073) 6.164 6.349 ( 0.413 0.000 0.232) 0.473 6.413 ( -1.915 0.000 2.024) 2.786 6.937 ( -0.415 0.000 -0.970) 1.055 6.966 ( 0.855 0.000 -1.257) 1.521 6.992 ( 0.024 0.000 1.452) 1.452 7.196 ( -0.463 0.000 -1.492) 1.562 7.282 ( -0.671 0.000 2.565) 2.651 7.384 ( 0.747 0.000 2.195) 2.319 7.414 ( -1.213 0.000 -1.494) 1.925 7.443 ( -0.199 0.000 -0.920) 0.942 7.444 ( -1.013 0.000 -3.679) 3.816 7.598 ( -0.459 0.000 0.838) 0.955 7.631 ( -5.315 0.000 3.464) 6.345 7.820 ( 1.201 0.000 -6.175) 6.290 8.025 ( -0.968 0.000 1.603) 1.872 8.046 ( 2.444 0.000 -0.845) 2.586 8.058 ( 0.949 0.000 -0.091) 0.953 8.058 ( -0.677 0.000 0.560) 0.879 8.259 ( 3.156 0.000 0.543) 3.202 8.353 ( -0.655 0.000 -0.919) 1.129 8.373 ( 2.992 0.000 4.674) 5.549 8.470 ( 0.695 0.000 0.324) 0.767 8.702 ( 0.837 0.000 1.294) 1.541 8.765 ( -1.603 0.000 0.172) 1.612 8.851 ( 0.604 0.000 -2.318) 2.395 8.873 ( -0.393 0.000 -1.465) 1.517 11.598 ( -1.715 0.000 -0.370) 1.755 11.608 ( -0.579 0.000 -0.152) 0.598 11.655 ( 1.775 0.000 2.548) 3.105 11.806 ( 0.754 0.000 -0.734) 1.053 11.924 ( 0.567 0.000 0.100) 0.576 11.956 ( 0.543 0.000 -0.086) 0.550 11.971 ( -0.264 0.000 -0.702) 0.750 11.984 ( -0.421 0.000 -0.440) 0.609 13.673 ( -1.107 0.000 2.328) 2.578 13.719 ( 0.256 0.000 -0.042) 0.260 13.821 ( -0.202 0.000 5.579) 5.583 14.206 ( 13.051 0.000 -1.796) 13.174 15.552 ( 0.650 0.000 -0.168) 0.671 15.554 ( 0.462 0.000 0.210) 0.508 15.648 ( 0.313 0.000 -0.336) 0.459 15.695 ( -0.751 0.000 -0.425) 0.863 16.924 ( -0.948 0.000 0.615) 1.130 16.958 ( 0.368 0.000 0.493) 0.615 16.994 ( -0.693 0.000 -0.976) 1.197 17.043 ( 0.642 0.000 0.006) 0.642 17.278 ( 0.223 0.000 0.045) 0.227 17.306 ( 0.133 0.000 -1.144) 1.152 17.368 ( 0.150 0.000 1.166) 1.176 17.454 ( -0.636 0.000 -0.250) 0.683 17.478 ( -1.896 0.000 -2.797) 3.379 17.574 ( 0.592 0.000 -0.831) 1.020 17.602 ( -8.238 0.000 -1.627) 8.398 17.753 ( 0.408 0.000 -3.392) 3.416 18.143 ( 0.712 0.000 4.184) 4.244 18.300 ( -0.377 0.000 -0.338) 0.507 18.420 ( 0.297 0.000 5.062) 5.070 18.704 ( -2.973 0.000 -1.519) 3.339 ======================= Grid point 26 (11/48) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 6.255 0.000 16.368) 17.523 0.592 ( 17.779 0.000 7.787) 19.410 0.802 ( -3.521 0.000 31.975) 32.168 1.249 ( 1.205 0.000 6.946) 7.050 1.302 ( -5.201 0.000 -0.390) 5.216 1.520 ( -1.030 0.000 -4.527) 4.643 1.588 ( -3.506 0.000 1.195) 3.704 1.641 ( 1.027 0.000 8.059) 8.125 1.789 ( -0.371 0.000 1.431) 1.478 1.831 ( 3.987 0.000 -1.735) 4.348 1.970 ( -0.481 0.000 0.720) 0.865 2.024 ( 4.430 0.000 -2.642) 5.158 2.030 ( -3.322 0.000 -1.568) 3.673 2.159 ( -6.422 0.000 -4.349) 7.757 2.190 ( 2.655 0.000 0.682) 2.742 2.198 ( -3.321 0.000 -1.168) 3.520 2.247 ( 1.273 0.000 -1.208) 1.755 2.385 ( 1.636 0.000 -2.747) 3.198 2.401 ( -4.524 0.000 -0.006) 4.524 2.480 ( 3.983 0.000 -0.847) 4.072 2.519 ( -0.045 0.000 -2.381) 2.381 2.615 ( -1.860 0.000 -1.892) 2.653 2.792 ( -1.623 0.000 -0.457) 1.686 2.818 ( -1.093 0.000 4.630) 4.758 2.853 ( -3.757 0.000 0.229) 3.764 2.905 ( -2.542 0.000 0.538) 2.598 2.934 ( -0.666 0.000 6.315) 6.350 3.002 ( 3.132 0.000 1.536) 3.489 3.036 ( 6.150 0.000 -1.724) 6.388 3.102 ( -0.414 0.000 -3.180) 3.207 3.144 ( 0.494 0.000 2.914) 2.956 3.213 ( 2.650 0.000 2.412) 3.583 3.239 ( 2.427 0.000 3.032) 3.883 3.307 ( -3.544 0.000 0.607) 3.596 3.312 ( 0.543 0.000 -1.671) 1.757 3.387 ( 1.809 0.000 -2.178) 2.831 3.399 ( 1.312 0.000 1.276) 1.830 3.446 ( 0.047 0.000 0.344) 0.347 3.606 ( -1.887 0.000 0.693) 2.011 3.617 ( -1.124 0.000 3.494) 3.670 3.711 ( -2.838 0.000 -5.736) 6.399 3.718 ( -2.646 0.000 0.944) 2.809 3.907 ( 1.791 0.000 -4.867) 5.187 3.963 ( -0.504 0.000 1.547) 1.628 4.018 ( -0.375 0.000 -0.006) 0.375 4.026 ( 1.359 0.000 0.969) 1.669 4.050 ( -1.285 0.000 -4.311) 4.498 4.166 ( -0.516 0.000 0.747) 0.908 4.202 ( 2.509 0.000 0.153) 2.514 4.286 ( -1.943 0.000 0.415) 1.987 4.340 ( -0.577 0.000 0.662) 0.878 4.435 ( 0.120 0.000 1.799) 1.803 4.499 ( 0.586 0.000 2.298) 2.372 4.623 ( 1.164 0.000 -5.492) 5.614 4.701 ( -1.292 0.000 -3.478) 3.710 4.864 ( -0.457 0.000 -3.154) 3.187 4.878 ( 1.178 0.000 0.690) 1.366 4.893 ( -0.543 0.000 -0.356) 0.650 4.931 ( 1.358 0.000 0.627) 1.496 5.048 ( 3.323 0.000 -3.897) 5.121 5.091 ( 0.566 0.000 1.862) 1.946 5.167 ( 0.286 0.000 2.702) 2.717 5.178 ( 1.877 0.000 -2.003) 2.745 5.216 ( -2.543 0.000 -2.323) 3.444 5.285 ( 2.182 0.000 4.972) 5.430 5.340 ( -2.694 0.000 3.799) 4.658 5.346 ( 1.901 0.000 3.155) 3.683 5.484 ( -0.610 0.000 1.193) 1.340 5.679 ( -3.722 0.000 -1.503) 4.014 5.918 ( -1.152 0.000 -2.348) 2.615 5.947 ( 1.911 0.000 -2.627) 3.249 6.053 ( -0.838 0.000 -5.416) 5.481 6.135 ( 1.614 0.000 1.372) 2.118 6.328 ( -2.205 0.000 0.238) 2.217 6.357 ( -1.482 0.000 1.727) 2.276 6.433 ( 4.487 0.000 -4.752) 6.535 6.935 ( 0.216 0.000 -1.030) 1.052 6.980 ( -0.079 0.000 -0.407) 0.415 6.988 ( -0.361 0.000 1.441) 1.485 7.192 ( 0.243 0.000 -2.328) 2.341 7.269 ( -0.504 0.000 1.337) 1.429 7.337 ( -2.548 0.000 0.753) 2.657 7.382 ( -0.876 0.000 3.038) 3.162 7.430 ( -0.848 0.000 0.288) 0.896 7.448 ( 0.668 0.000 -0.262) 0.717 7.572 ( 0.060 0.000 4.628) 4.629 7.577 ( -1.298 0.000 0.484) 1.386 7.822 ( -0.816 0.000 -5.054) 5.119 8.017 ( 0.160 0.000 1.189) 1.200 8.043 ( -0.685 0.000 0.113) 0.694 8.080 ( 1.013 0.000 0.610) 1.183 8.083 ( 1.422 0.000 0.231) 1.441 8.276 ( -0.521 0.000 2.056) 2.121 8.339 ( -0.512 0.000 -0.912) 1.046 8.429 ( 0.478 0.000 -1.099) 1.198 8.483 ( 0.377 0.000 0.112) 0.393 8.714 ( -0.574 0.000 1.860) 1.947 8.730 ( -0.031 0.000 1.212) 1.213 8.850 ( -0.642 0.000 -2.249) 2.339 8.872 ( 0.301 0.000 -1.396) 1.429 11.566 ( -1.139 0.000 0.223) 1.161 11.585 ( -1.590 0.000 0.015) 1.590 11.689 ( 1.258 0.000 1.980) 2.346 11.769 ( -1.815 0.000 1.934) 2.653 11.933 ( 0.113 0.000 -0.257) 0.281 11.957 ( -0.660 0.000 -0.299) 0.725 11.981 ( 0.228 0.000 0.005) 0.228 11.985 ( 1.471 0.000 -0.701) 1.630 13.667 ( 0.447 0.000 1.593) 1.655 13.731 ( 0.901 0.000 0.659) 1.116 13.806 ( -1.141 0.000 4.544) 4.685 14.116 ( -11.605 0.000 8.875) 14.610 15.561 ( 0.141 0.000 0.252) 0.288 15.572 ( 1.043 0.000 0.601) 1.203 15.650 ( -0.162 0.000 -0.052) 0.170 15.671 ( -1.254 0.000 -1.258) 1.777 16.913 ( -0.160 0.000 -0.031) 0.163 16.971 ( 0.661 0.000 1.126) 1.305 16.973 ( -0.970 0.000 -0.965) 1.368 17.062 ( 0.877 0.000 -0.016) 0.877 17.281 ( 0.195 0.000 -0.118) 0.228 17.303 ( -0.369 0.000 -0.854) 0.931 17.376 ( 0.439 0.000 1.316) 1.387 17.456 ( 0.831 0.000 -0.767) 1.131 17.494 ( -0.066 0.000 -3.664) 3.664 17.576 ( -0.457 0.000 -0.538) 0.706 17.604 ( 6.674 0.000 -7.861) 10.312 17.764 ( 0.613 0.000 -3.502) 3.555 18.181 ( 2.614 0.000 4.571) 5.265 18.303 ( 0.664 0.000 0.139) 0.678 18.413 ( -0.910 0.000 4.428) 4.520 18.519 ( -9.356 0.000 5.916) 11.069 ======================= Grid point 27 (12/48) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -10.959 0.000 19.561) 22.421 0.664 ( 4.089 0.000 10.451) 11.222 0.982 ( 16.649 0.000 -2.585) 16.848 1.109 ( -7.396 0.000 0.323) 7.403 1.293 ( -0.268 0.000 11.391) 11.394 1.562 ( 3.571 0.000 -0.392) 3.593 1.599 ( 3.320 0.000 -5.448) 6.381 1.629 ( -1.621 0.000 10.955) 11.074 1.777 ( -1.878 0.000 3.291) 3.789 1.925 ( 1.671 0.000 -1.626) 2.332 1.943 ( -3.135 0.000 -3.194) 4.475 1.956 ( -0.508 0.000 -0.103) 0.519 2.039 ( -0.729 0.000 -4.889) 4.943 2.103 ( 0.655 0.000 -0.881) 1.097 2.156 ( 2.084 0.000 -7.841) 8.113 2.236 ( -1.948 0.000 3.050) 3.619 2.270 ( 2.331 0.000 0.207) 2.340 2.394 ( 4.371 0.000 0.962) 4.476 2.427 ( 2.668 0.000 -0.163) 2.673 2.499 ( -2.403 0.000 0.356) 2.429 2.567 ( 3.507 0.000 1.604) 3.856 2.580 ( -0.718 0.000 -1.985) 2.111 2.734 ( -5.941 0.000 5.605) 8.168 2.738 ( -1.569 0.000 -0.016) 1.569 2.781 ( -2.977 0.000 2.771) 4.067 2.875 ( -0.680 0.000 -2.446) 2.538 2.933 ( -1.251 0.000 7.578) 7.681 3.015 ( -1.559 0.000 -0.446) 1.621 3.049 ( -1.256 0.000 -2.962) 3.217 3.104 ( -1.459 0.000 1.335) 1.977 3.181 ( -1.901 0.000 -1.305) 2.306 3.192 ( 2.066 0.000 4.344) 4.811 3.272 ( 1.639 0.000 -1.963) 2.557 3.282 ( -1.807 0.000 1.216) 2.178 3.377 ( 4.293 0.000 -0.877) 4.382 3.409 ( 0.251 0.000 2.259) 2.273 3.436 ( 2.192 0.000 0.898) 2.369 3.443 ( 0.046 0.000 -0.879) 0.881 3.537 ( -4.036 0.000 0.419) 4.058 3.609 ( 0.848 0.000 0.849) 1.200 3.661 ( -2.550 0.000 1.799) 3.120 3.695 ( 0.881 0.000 -2.012) 2.197 3.921 ( -0.505 0.000 -4.532) 4.560 3.969 ( 1.235 0.000 1.965) 2.321 4.002 ( -0.873 0.000 -1.809) 2.009 4.004 ( -2.258 0.000 -5.830) 6.252 4.073 ( 2.139 0.000 1.144) 2.426 4.156 ( -0.314 0.000 2.785) 2.803 4.255 ( -0.384 0.000 -1.678) 1.722 4.277 ( 3.665 0.000 -0.016) 3.665 4.340 ( 0.513 0.000 -0.933) 1.065 4.420 ( -1.584 0.000 2.257) 2.758 4.519 ( 0.969 0.000 1.641) 1.906 4.653 ( 1.442 0.000 -4.561) 4.783 4.672 ( -1.098 0.000 -1.049) 1.518 4.835 ( -1.486 0.000 -5.095) 5.308 4.888 ( -0.168 0.000 -0.766) 0.784 4.888 ( -0.431 0.000 0.743) 0.859 4.959 ( 0.364 0.000 1.076) 1.136 5.091 ( -0.555 0.000 2.918) 2.970 5.096 ( 0.741 0.000 -4.741) 4.799 5.183 ( -0.249 0.000 -2.186) 2.200 5.192 ( 1.153 0.000 -0.053) 1.154 5.212 ( 1.467 0.000 -0.782) 1.662 5.280 ( -2.612 0.000 4.093) 4.856 5.339 ( 2.559 0.000 6.500) 6.985 5.374 ( 0.405 0.000 3.025) 3.052 5.487 ( 1.067 0.000 2.529) 2.745 5.619 ( -1.401 0.000 -0.058) 1.402 5.875 ( -1.959 0.000 -5.974) 6.287 5.967 ( 0.136 0.000 -4.477) 4.479 6.065 ( 0.995 0.000 -2.095) 2.319 6.175 ( 1.611 0.000 1.086) 1.942 6.276 ( -2.030 0.000 0.167) 2.037 6.330 ( -0.801 0.000 1.533) 1.730 6.504 ( 1.744 0.000 -6.511) 6.740 6.945 ( 0.603 0.000 -0.320) 0.682 6.965 ( -0.934 0.000 0.525) 1.071 6.980 ( -0.336 0.000 1.308) 1.350 7.202 ( 0.484 0.000 -2.993) 3.032 7.267 ( 0.399 0.000 0.608) 0.728 7.330 ( 1.138 0.000 0.137) 1.146 7.356 ( -1.330 0.000 3.832) 4.057 7.405 ( -1.132 0.000 1.840) 2.161 7.468 ( 0.969 0.000 -0.750) 1.226 7.552 ( -0.791 0.000 1.686) 1.862 7.604 ( 2.490 0.000 1.914) 3.141 7.785 ( -2.440 0.000 -3.813) 4.527 8.025 ( 0.403 0.000 0.729) 0.833 8.031 ( -0.513 0.000 0.222) 0.559 8.097 ( 0.469 0.000 1.696) 1.760 8.107 ( 0.653 0.000 0.865) 1.084 8.262 ( -0.641 0.000 0.653) 0.915 8.335 ( 0.129 0.000 -0.551) 0.566 8.420 ( -0.816 0.000 0.839) 1.171 8.483 ( -0.334 0.000 -0.626) 0.709 8.698 ( -0.602 0.000 0.486) 0.774 8.745 ( 0.845 0.000 1.995) 2.166 8.835 ( -0.619 0.000 -2.656) 2.727 8.878 ( 0.209 0.000 -1.149) 1.168 11.554 ( 0.050 0.000 0.791) 0.793 11.559 ( -0.485 0.000 0.774) 0.913 11.703 ( -0.035 0.000 1.327) 1.327 11.746 ( -0.742 0.000 1.226) 1.433 11.928 ( -0.486 0.000 -1.025) 1.134 11.944 ( -0.467 0.000 -0.452) 0.650 11.991 ( 0.544 0.000 0.747) 0.924 12.013 ( 0.932 0.000 -0.449) 1.035 13.689 ( 1.531 0.000 1.536) 2.168 13.751 ( 0.562 0.000 1.624) 1.718 13.782 ( -0.769 0.000 3.124) 3.217 13.920 ( -7.136 0.000 8.464) 11.070 15.567 ( 0.391 0.000 -0.487) 0.625 15.582 ( -0.433 0.000 0.662) 0.791 15.643 ( -0.471 0.000 0.194) 0.510 15.659 ( 0.406 0.000 -1.233) 1.298 16.914 ( 0.246 0.000 -0.306) 0.392 16.960 ( -0.176 0.000 -0.713) 0.734 16.976 ( -0.217 0.000 1.503) 1.519 17.074 ( 0.179 0.000 -0.118) 0.215 17.286 ( 0.117 0.000 -0.825) 0.833 17.295 ( -0.310 0.000 -0.757) 0.818 17.382 ( 0.104 0.000 1.096) 1.101 17.483 ( 1.590 0.000 -1.095) 1.931 17.499 ( 0.848 0.000 -1.486) 1.711 17.556 ( -1.364 0.000 -0.341) 1.405 17.714 ( 3.094 0.000 -9.229) 9.734 17.779 ( 0.984 0.000 -5.041) 5.136 18.252 ( 4.250 0.000 5.283) 6.781 18.327 ( 1.524 0.000 1.448) 2.102 18.357 ( -6.326 0.000 5.214) 8.198 18.385 ( -1.605 0.000 2.926) 3.338 ======================= Grid point 28 (13/48) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -5.958 0.000 21.035) 21.863 0.602 ( -8.932 0.000 10.999) 14.169 1.089 ( 4.492 0.000 2.391) 5.089 1.224 ( 3.606 0.000 0.459) 3.635 1.328 ( 4.335 0.000 8.684) 9.706 1.532 ( -5.481 0.000 13.410) 14.487 1.617 ( -1.879 0.000 -8.387) 8.595 1.647 ( 2.968 0.000 -2.648) 3.978 1.728 ( -0.828 0.000 5.584) 5.645 1.845 ( -4.515 0.000 0.337) 4.528 1.952 ( -0.651 0.000 1.138) 1.311 1.955 ( 2.670 0.000 -2.037) 3.359 2.053 ( -3.392 0.000 -3.165) 4.639 2.126 ( 2.508 0.000 -3.751) 4.512 2.187 ( 0.113 0.000 2.703) 2.705 2.249 ( 3.822 0.000 -7.168) 8.123 2.372 ( 7.039 0.000 1.249) 7.149 2.431 ( -2.364 0.000 3.733) 4.418 2.472 ( 0.343 0.000 -1.862) 1.893 2.495 ( 4.063 0.000 3.340) 5.259 2.616 ( 2.030 0.000 -2.662) 3.348 2.618 ( 1.321 0.000 7.851) 7.961 2.664 ( 1.927 0.000 3.106) 3.655 2.690 ( -5.207 0.000 -3.797) 6.444 2.743 ( 1.064 0.000 -0.527) 1.187 2.860 ( -2.727 0.000 7.351) 7.841 2.871 ( 0.338 0.000 -1.581) 1.617 3.000 ( -0.792 0.000 -1.737) 1.909 3.025 ( -0.489 0.000 -3.520) 3.554 3.074 ( -0.852 0.000 1.398) 1.637 3.172 ( -1.911 0.000 1.533) 2.450 3.196 ( -2.246 0.000 -4.552) 5.076 3.205 ( -0.220 0.000 4.646) 4.651 3.287 ( -1.895 0.000 -3.983) 4.411 3.406 ( -1.511 0.000 2.640) 3.041 3.409 ( 0.036 0.000 -0.583) 0.584 3.465 ( -2.267 0.000 0.358) 2.296 3.468 ( 0.883 0.000 2.203) 2.373 3.515 ( 5.752 0.000 2.490) 6.268 3.597 ( -1.120 0.000 1.463) 1.843 3.683 ( 3.858 0.000 1.130) 4.020 3.739 ( 3.223 0.000 -0.359) 3.243 3.914 ( 0.247 0.000 -4.801) 4.807 3.944 ( -3.315 0.000 -6.577) 7.366 3.968 ( -1.894 0.000 -0.381) 1.932 4.006 ( 1.305 0.000 0.761) 1.510 4.111 ( 1.345 0.000 -2.581) 2.910 4.151 ( -0.355 0.000 1.832) 1.866 4.274 ( 1.757 0.000 1.950) 2.625 4.304 ( -2.294 0.000 0.271) 2.310 4.354 ( 0.644 0.000 -0.840) 1.058 4.398 ( 0.660 0.000 1.287) 1.446 4.532 ( 0.006 0.000 0.547) 0.547 4.662 ( 0.336 0.000 1.240) 1.285 4.669 ( -0.304 0.000 -4.395) 4.405 4.813 ( -0.305 0.000 -5.297) 5.305 4.861 ( -1.834 0.000 0.919) 2.052 4.883 ( -0.249 0.000 -1.294) 1.317 4.952 ( -0.488 0.000 0.983) 1.097 5.064 ( -2.297 0.000 -2.380) 3.307 5.087 ( -0.961 0.000 -0.433) 1.054 5.183 ( -0.527 0.000 -1.046) 1.172 5.190 ( -1.076 0.000 -0.066) 1.078 5.243 ( -0.757 0.000 3.616) 3.694 5.247 ( 1.760 0.000 -0.087) 1.762 5.378 ( 0.386 0.000 0.968) 1.042 5.384 ( 1.574 0.000 6.734) 6.916 5.517 ( 1.049 0.000 4.161) 4.291 5.631 ( 2.474 0.000 1.268) 2.780 5.848 ( -0.586 0.000 -4.283) 4.323 5.955 ( -1.400 0.000 -5.425) 5.602 6.093 ( 2.072 0.000 -2.462) 3.217 6.168 ( -1.947 0.000 -0.715) 2.074 6.279 ( 1.986 0.000 0.754) 2.124 6.315 ( -1.075 0.000 -1.671) 1.987 6.502 ( -1.644 0.000 -4.990) 5.254 6.953 ( -0.154 0.000 -0.040) 0.159 6.954 ( 0.140 0.000 0.324) 0.353 6.978 ( 0.215 0.000 1.097) 1.118 7.207 ( 0.008 0.000 -2.818) 2.818 7.284 ( 0.974 0.000 1.079) 1.454 7.337 ( -0.192 0.000 3.847) 3.851 7.358 ( 1.153 0.000 -0.257) 1.182 7.401 ( 1.021 0.000 2.322) 2.536 7.472 ( -0.647 0.000 -1.950) 2.054 7.560 ( 1.440 0.000 2.875) 3.215 7.652 ( 1.347 0.000 3.901) 4.127 7.740 ( -0.934 0.000 -4.608) 4.702 8.023 ( -0.173 0.000 -0.102) 0.201 8.031 ( 0.211 0.000 0.382) 0.437 8.094 ( -0.888 0.000 2.231) 2.401 8.105 ( -0.809 0.000 0.900) 1.210 8.250 ( -0.597 0.000 -1.416) 1.537 8.343 ( 0.658 0.000 -0.146) 0.674 8.398 ( -1.276 0.000 2.492) 2.800 8.472 ( -0.631 0.000 -1.081) 1.252 8.689 ( -0.201 0.000 0.131) 0.240 8.761 ( 0.668 0.000 2.080) 2.184 8.828 ( 0.032 0.000 -2.929) 2.929 8.881 ( 0.076 0.000 -1.118) 1.121 11.567 ( 1.207 0.000 1.270) 1.752 11.570 ( 1.444 0.000 1.399) 2.011 11.688 ( -1.323 0.000 0.764) 1.527 11.731 ( -0.657 0.000 0.910) 1.122 11.918 ( -0.355 0.000 -0.970) 1.033 11.939 ( -0.049 0.000 -0.449) 0.452 11.998 ( 0.054 0.000 0.596) 0.599 12.018 ( -0.464 0.000 -0.308) 0.557 13.734 ( 2.974 0.000 3.473) 4.572 13.739 ( -1.063 0.000 0.792) 1.325 13.793 ( 1.153 0.000 4.006) 4.169 13.797 ( -4.729 0.000 5.502) 7.255 15.562 ( -1.026 0.000 -0.352) 1.085 15.571 ( -0.167 0.000 -0.377) 0.413 15.636 ( -0.069 0.000 -0.311) 0.319 15.680 ( 1.222 0.000 -0.102) 1.226 16.924 ( 0.674 0.000 -0.347) 0.759 16.964 ( -0.788 0.000 1.418) 1.622 16.966 ( 0.777 0.000 -0.472) 0.909 17.069 ( -0.705 0.000 -0.249) 0.748 17.285 ( -0.176 0.000 -0.831) 0.850 17.293 ( 0.142 0.000 -0.967) 0.977 17.380 ( -0.340 0.000 0.877) 0.941 17.519 ( 1.245 0.000 -1.134) 1.684 17.520 ( 0.740 0.000 -0.514) 0.901 17.521 ( -1.436 0.000 -0.251) 1.458 17.742 ( 0.245 0.000 -6.057) 6.062 17.806 ( 1.088 0.000 -8.330) 8.401 18.241 ( -4.496 0.000 3.463) 5.675 18.349 ( -1.495 0.000 1.545) 2.150 18.365 ( 1.678 0.000 2.867) 3.322 18.372 ( 7.040 0.000 7.652) 10.398 ======================= Grid point 29 (14/48) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 1.836 0.000 23.482) 23.554 0.433 ( -4.781 0.000 18.588) 19.193 1.039 ( -15.789 0.000 25.438) 29.940 1.177 ( 2.582 0.000 3.609) 4.437 1.419 ( 1.295 0.000 4.569) 4.749 1.521 ( 2.367 0.000 3.362) 4.112 1.611 ( 3.605 0.000 -6.772) 7.671 1.699 ( 0.490 0.000 -3.138) 3.176 1.743 ( 1.492 0.000 5.652) 5.846 1.771 ( -1.759 0.000 5.883) 6.140 1.907 ( -1.954 0.000 -0.779) 2.103 2.013 ( -0.671 0.000 -0.566) 0.878 2.024 ( 1.954 0.000 -0.282) 1.974 2.071 ( -2.469 0.000 -5.845) 6.345 2.263 ( 3.268 0.000 -0.209) 3.274 2.279 ( -0.123 0.000 0.190) 0.226 2.380 ( -2.556 0.000 0.003) 2.556 2.463 ( -1.348 0.000 4.537) 4.733 2.507 ( 2.247 0.000 -4.016) 4.602 2.522 ( -6.804 0.000 -0.187) 6.807 2.589 ( 2.694 0.000 2.856) 3.926 2.612 ( -0.166 0.000 -9.319) 9.321 2.661 ( 2.168 0.000 4.241) 4.763 2.745 ( 0.234 0.000 -2.044) 2.057 2.772 ( 4.604 0.000 3.404) 5.726 2.903 ( 2.585 0.000 0.796) 2.705 2.908 ( 3.220 0.000 3.382) 4.669 2.953 ( 0.604 0.000 -0.021) 0.605 3.020 ( -0.268 0.000 -4.241) 4.249 3.074 ( -0.284 0.000 1.011) 1.051 3.108 ( -2.344 0.000 0.063) 2.345 3.156 ( -4.960 0.000 -3.147) 5.874 3.239 ( -0.042 0.000 3.620) 3.620 3.243 ( 3.909 0.000 -2.300) 4.535 3.352 ( -2.389 0.000 0.135) 2.393 3.403 ( -1.563 0.000 0.059) 1.564 3.441 ( 0.043 0.000 0.168) 0.174 3.465 ( -1.308 0.000 1.730) 2.169 3.604 ( 1.368 0.000 3.327) 3.598 3.645 ( 5.582 0.000 1.290) 5.729 3.765 ( 3.250 0.000 0.719) 3.329 3.794 ( -0.058 0.000 -4.512) 4.513 3.900 ( -3.021 0.000 -3.918) 4.948 3.901 ( 1.528 0.000 -2.999) 3.366 3.942 ( 0.929 0.000 -1.236) 1.546 4.027 ( 0.438 0.000 1.969) 2.017 4.115 ( -1.615 0.000 -4.637) 4.910 4.148 ( 0.751 0.000 0.093) 0.757 4.228 ( -3.478 0.000 0.352) 3.496 4.308 ( 1.206 0.000 3.875) 4.059 4.364 ( 0.083 0.000 1.413) 1.416 4.419 ( 0.690 0.000 0.580) 0.901 4.503 ( -2.402 0.000 -0.181) 2.409 4.639 ( -1.893 0.000 -5.447) 5.766 4.686 ( 1.389 0.000 3.204) 3.492 4.824 ( 0.962 0.000 -3.848) 3.966 4.833 ( -0.355 0.000 0.538) 0.645 4.881 ( 0.169 0.000 -0.661) 0.682 4.951 ( 0.340 0.000 1.120) 1.170 5.009 ( -1.844 0.000 -3.977) 4.384 5.073 ( -0.345 0.000 0.823) 0.892 5.155 ( -1.705 0.000 -1.610) 2.345 5.168 ( -0.519 0.000 2.044) 2.109 5.238 ( 0.135 0.000 2.901) 2.904 5.279 ( 0.893 0.000 0.100) 0.899 5.392 ( 0.413 0.000 -1.225) 1.293 5.401 ( -0.017 0.000 4.623) 4.623 5.519 ( -0.687 0.000 3.081) 3.156 5.698 ( 3.008 0.000 2.196) 3.724 5.853 ( 1.240 0.000 -0.145) 1.249 5.909 ( -2.333 0.000 -5.118) 5.624 6.130 ( -1.347 0.000 -0.806) 1.570 6.157 ( 3.388 0.000 -4.465) 5.605 6.269 ( -2.934 0.000 -6.408) 7.048 6.323 ( 1.788 0.000 0.245) 1.805 6.456 ( -2.203 0.000 0.014) 2.203 6.949 ( -0.541 0.000 -0.218) 0.584 6.956 ( 0.306 0.000 -1.189) 1.228 6.987 ( 0.447 0.000 1.331) 1.404 7.205 ( -0.246 0.000 -1.971) 1.986 7.292 ( -0.192 0.000 2.886) 2.892 7.356 ( 1.603 0.000 2.272) 2.780 7.390 ( 2.055 0.000 -0.856) 2.227 7.434 ( 1.597 0.000 -0.097) 1.600 7.454 ( -0.776 0.000 -1.591) 1.770 7.591 ( 1.090 0.000 1.839) 2.137 7.666 ( 0.895 0.000 6.638) 6.698 7.761 ( 2.529 0.000 -4.914) 5.527 8.021 ( -0.123 0.000 -0.858) 0.866 8.037 ( 0.335 0.000 1.102) 1.152 8.063 ( -1.703 0.000 0.881) 1.917 8.079 ( -1.395 0.000 0.628) 1.530 8.232 ( -0.910 0.000 -1.350) 1.628 8.357 ( 0.387 0.000 -0.225) 0.448 8.369 ( -1.277 0.000 5.108) 5.266 8.462 ( -0.104 0.000 -0.564) 0.574 8.690 ( 0.291 0.000 0.489) 0.570 8.773 ( 0.348 0.000 1.269) 1.316 8.836 ( 0.648 0.000 -2.759) 2.834 8.880 ( -0.183 0.000 -1.276) 1.289 11.600 ( 1.657 0.000 1.105) 1.992 11.606 ( 1.232 0.000 0.776) 1.456 11.652 ( -1.752 0.000 0.965) 2.000 11.738 ( 2.325 0.000 2.359) 3.312 11.916 ( 0.165 0.000 -0.431) 0.461 11.943 ( 0.488 0.000 -0.289) 0.567 11.994 ( -0.406 0.000 0.019) 0.406 11.996 ( -1.471 0.000 -0.250) 1.493 13.716 ( -2.950 0.000 3.448) 4.538 13.721 ( -0.512 0.000 -0.015) 0.513 13.814 ( 0.770 0.000 5.296) 5.351 13.855 ( 10.534 0.000 10.190) 14.657 15.548 ( -0.254 0.000 -0.539) 0.596 15.560 ( -0.724 0.000 -0.050) 0.726 15.640 ( 0.392 0.000 -0.744) 0.841 15.699 ( 0.404 0.000 0.076) 0.411 16.939 ( 0.273 0.000 1.024) 1.060 16.948 ( -0.258 0.000 -0.177) 0.313 16.988 ( 1.033 0.000 -0.489) 1.143 17.049 ( -0.957 0.000 -0.319) 1.009 17.279 ( -0.281 0.000 -0.302) 0.412 17.299 ( 0.413 0.000 -1.205) 1.274 17.371 ( -0.362 0.000 0.876) 0.948 17.481 ( -1.749 0.000 0.045) 1.749 17.518 ( -1.007 0.000 -1.502) 1.809 17.552 ( 1.393 0.000 -1.173) 1.821 17.743 ( -0.057 0.000 -4.829) 4.829 17.788 ( -4.079 0.000 -10.831) 11.573 18.164 ( -2.663 0.000 3.429) 4.342 18.318 ( -1.227 0.000 0.137) 1.234 18.401 ( 1.412 0.000 4.492) 4.709 18.562 ( 10.747 0.000 7.565) 13.142 ======================= Grid point 30 (15/48) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -4.326 11.880 16.050) 20.432 0.618 ( 2.303 13.306 15.096) 20.254 1.011 ( 0.708 14.645 26.852) 30.594 1.078 ( 0.001 -9.939 7.324) 12.346 1.264 ( -2.648 -10.776 1.417) 11.186 1.487 ( -2.198 -5.995 8.614) 10.723 1.618 ( -1.786 -0.492 -6.532) 6.790 1.705 ( 1.844 -1.553 -0.474) 2.457 1.794 ( 0.407 5.919 -1.038) 6.023 1.874 ( 1.631 2.699 -1.166) 3.362 1.954 ( 2.583 3.701 1.663) 4.810 1.976 ( -1.426 -0.557 2.240) 2.714 2.025 ( -0.461 -0.169 1.195) 1.292 2.111 ( 3.628 -0.197 -1.029) 3.777 2.222 ( -2.722 -3.898 -0.146) 4.757 2.247 ( -1.003 -1.972 0.754) 2.338 2.327 ( -3.107 1.540 0.067) 3.469 2.381 ( -2.227 -1.228 -0.933) 2.709 2.424 ( 0.723 -0.454 -2.213) 2.372 2.502 ( 1.447 -1.473 0.294) 2.086 2.526 ( -4.662 0.085 -2.913) 5.498 2.599 ( -0.001 -2.739 -2.826) 3.935 2.744 ( 0.791 -0.637 -0.338) 1.070 2.781 ( 2.853 -0.876 0.536) 3.032 2.858 ( 4.191 -0.458 3.978) 5.797 2.874 ( -1.661 -2.892 -1.900) 3.838 2.934 ( -0.728 -0.345 1.953) 2.113 2.972 ( 1.279 2.952 0.358) 3.237 3.004 ( 0.214 -2.270 0.003) 2.280 3.101 ( 3.002 4.059 -0.562) 5.079 3.142 ( 1.815 -0.851 -1.594) 2.561 3.173 ( -1.401 6.034 1.520) 6.378 3.239 ( -2.872 -1.160 0.754) 3.187 3.265 ( -0.443 -2.729 -0.039) 2.765 3.310 ( 1.604 -0.966 4.624) 4.989 3.341 ( 0.867 -0.589 -1.074) 1.501 3.442 ( 0.321 0.970 1.470) 1.790 3.505 ( -0.228 2.938 1.428) 3.274 3.544 ( -0.998 -3.380 0.362) 3.542 3.611 ( -0.110 -3.903 2.890) 4.858 3.777 ( -1.279 0.084 -1.348) 1.860 3.786 ( -0.245 0.066 -3.240) 3.250 3.923 ( 0.740 2.149 -4.749) 5.264 3.937 ( 0.704 -1.973 0.333) 2.121 3.998 ( 0.993 0.060 1.678) 1.951 4.023 ( -1.052 1.819 -6.629) 6.954 4.081 ( -0.939 -0.166 -0.002) 0.953 4.110 ( -0.583 -2.661 -1.282) 3.011 4.241 ( -0.095 3.413 -1.159) 3.605 4.342 ( -0.147 -0.034 0.882) 0.895 4.361 ( -0.823 2.458 1.142) 2.833 4.461 ( 0.387 -1.412 2.297) 2.724 4.512 ( -0.513 4.892 -0.617) 4.958 4.601 ( -0.310 -1.149 -4.516) 4.670 4.701 ( 0.860 0.554 -2.145) 2.377 4.830 ( 1.441 -1.944 0.269) 2.435 4.855 ( 0.731 0.827 -1.490) 1.854 4.894 ( 0.163 -0.115 0.435) 0.478 4.955 ( -0.560 0.719 -0.253) 0.945 4.989 ( 0.787 -0.755 -2.716) 2.926 5.082 ( 0.689 0.551 0.070) 0.885 5.129 ( 1.383 -1.248 -1.366) 2.310 5.184 ( -0.536 1.386 2.475) 2.886 5.247 ( -0.019 0.173 1.650) 1.659 5.273 ( -1.538 -0.944 1.333) 2.244 5.298 ( -1.062 -2.424 2.533) 3.663 5.427 ( -1.112 2.243 1.991) 3.198 5.492 ( -0.849 -0.852 1.896) 2.245 5.740 ( -1.134 1.127 0.221) 1.614 5.840 ( 0.904 -3.022 0.290) 3.167 5.949 ( 1.873 2.552 -0.481) 3.202 6.058 ( -1.259 -2.835 -3.440) 4.632 6.189 ( -1.663 3.116 -6.249) 7.178 6.283 ( 3.521 -1.696 -3.844) 5.481 6.361 ( 0.681 0.898 0.404) 1.198 6.404 ( -1.360 -0.897 1.745) 2.387 6.926 ( -0.168 -0.272 -0.550) 0.636 6.952 ( -0.234 -0.534 -0.464) 0.745 7.060 ( 0.527 4.191 -0.638) 4.272 7.178 ( -0.217 -1.551 -1.654) 2.278 7.298 ( -1.102 1.265 1.841) 2.491 7.370 ( -2.803 -2.733 1.508) 4.195 7.399 ( 0.722 0.557 2.145) 2.331 7.418 ( 0.858 -0.614 -0.603) 1.215 7.451 ( -0.168 0.582 -0.742) 0.957 7.524 ( 0.249 -2.642 4.951) 5.617 7.696 ( -1.382 2.590 -2.626) 3.938 7.796 ( 1.167 -1.943 -4.871) 5.372 7.995 ( -0.018 -1.646 1.684) 2.355 7.998 ( -0.588 -2.395 0.782) 2.587 8.079 ( 0.397 1.642 -0.729) 1.840 8.097 ( 0.191 1.187 -0.497) 1.301 8.264 ( 1.624 0.778 1.144) 2.134 8.321 ( -0.504 -1.688 1.614) 2.389 8.373 ( 0.583 0.261 3.241) 3.304 8.447 ( 0.893 -2.639 1.128) 3.006 8.729 ( 0.509 2.208 0.314) 2.288 8.760 ( -0.830 0.452 0.789) 1.231 8.848 ( 0.411 -0.340 -2.535) 2.591 8.867 ( -0.302 -0.731 -1.590) 1.776 11.596 ( -1.391 0.016 -0.257) 1.415 11.608 ( -0.618 -0.360 0.084) 0.720 11.677 ( 1.132 1.775 1.228) 2.437 11.753 ( 0.864 -2.739 1.675) 3.324 11.937 ( 0.730 0.633 0.195) 0.986 11.955 ( 0.555 -0.179 0.039) 0.585 11.971 ( -0.524 0.160 -0.594) 0.808 11.983 ( -0.455 -0.185 -0.740) 0.888 13.683 ( -0.922 0.837 2.111) 2.451 13.717 ( 0.035 -0.334 0.399) 0.521 13.838 ( 0.306 1.887 4.886) 5.246 14.035 ( 5.330 -8.815 6.422) 12.139 15.554 ( 0.362 0.158 0.228) 0.456 15.559 ( 1.033 0.093 0.381) 1.105 15.659 ( 0.079 0.958 -0.371) 1.030 15.694 ( -0.613 -0.341 -0.501) 0.862 16.910 ( -0.224 -0.390 0.459) 0.643 16.936 ( 0.505 -1.473 0.693) 1.704 17.050 ( -1.408 2.552 -2.010) 3.541 17.068 ( 0.846 1.630 -0.551) 1.917 17.288 ( 0.127 0.938 0.013) 0.947 17.323 ( 0.491 1.056 -1.445) 1.856 17.360 ( -0.078 -0.133 1.282) 1.291 17.479 ( 1.707 -1.732 -1.491) 2.852 17.496 ( -1.308 1.281 -2.892) 3.423 17.539 ( -2.874 -0.046 -3.496) 4.526 17.649 ( -2.820 2.437 -2.055) 4.256 17.740 ( 0.208 -1.344 -3.180) 3.459 18.160 ( 0.721 1.694 3.981) 4.386 18.270 ( -0.195 -2.647 1.402) 3.002 18.464 ( 0.134 3.416 2.589) 4.288 18.623 ( -1.107 -4.847 2.050) 5.378 ======================= Grid point 31 (16/48) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 4.499 6.609 17.304) 19.061 0.759 ( 10.238 9.480 12.776) 18.919 0.964 ( -5.979 11.640 17.215) 21.624 1.115 ( 1.054 -10.125 5.731) 11.682 1.282 ( 6.104 -5.297 0.104) 8.082 1.376 ( -6.872 -8.839 7.190) 13.306 1.582 ( -1.140 3.678 -4.553) 5.963 1.749 ( 1.143 1.013 0.574) 1.632 1.787 ( -0.623 2.580 0.597) 2.720 1.878 ( 0.990 3.592 0.214) 3.732 1.965 ( -1.686 -3.666 -1.961) 4.486 2.004 ( 1.632 -1.089 0.652) 2.068 2.018 ( 0.666 2.594 1.202) 2.935 2.145 ( -3.138 -0.403 -0.675) 3.234 2.173 ( -1.783 -0.715 -1.090) 2.208 2.217 ( 1.689 0.092 -0.193) 1.702 2.283 ( -1.103 2.001 -2.612) 3.470 2.352 ( -1.341 -2.016 -1.813) 3.025 2.431 ( -3.066 1.549 -1.203) 3.639 2.478 ( 2.854 0.171 -1.533) 3.244 2.550 ( 2.945 0.367 -0.902) 3.102 2.584 ( -1.286 -2.203 -1.888) 3.174 2.737 ( -1.825 -2.829 1.439) 3.661 2.776 ( -1.966 -2.509 1.419) 3.489 2.870 ( -1.332 0.614 2.079) 2.544 2.899 ( 0.881 -0.465 -0.344) 1.054 2.956 ( -2.561 2.275 5.521) 6.497 2.996 ( 1.878 -1.373 2.347) 3.304 3.004 ( 4.069 -2.305 -0.897) 4.762 3.136 ( 0.975 1.612 -1.019) 2.142 3.142 ( -0.720 2.495 -0.503) 2.645 3.207 ( 1.034 -3.265 -2.488) 4.234 3.231 ( 1.799 -0.186 0.520) 1.882 3.264 ( 0.316 0.992 2.475) 2.685 3.335 ( 0.669 -1.478 2.331) 2.840 3.357 ( 0.757 -3.087 1.970) 3.739 3.444 ( -0.679 2.642 1.888) 3.318 3.468 ( -2.211 1.899 -1.429) 3.246 3.529 ( 0.320 -1.306 -0.220) 1.362 3.601 ( -0.456 -4.194 3.166) 5.275 3.726 ( -3.842 2.392 -0.612) 4.567 3.764 ( -1.078 2.130 -1.867) 3.030 3.934 ( -0.970 0.218 -6.398) 6.475 3.949 ( 0.872 -3.370 -2.371) 4.211 3.998 ( 0.185 1.727 1.245) 2.137 4.027 ( -0.174 0.401 -1.122) 1.204 4.049 ( -0.481 0.456 2.260) 2.355 4.104 ( -0.160 -3.183 -0.722) 3.267 4.252 ( 1.235 2.587 -0.887) 3.001 4.327 ( -1.243 1.427 1.236) 2.260 4.345 ( -0.099 1.689 -0.181) 1.701 4.461 ( -0.325 -0.681 1.352) 1.548 4.505 ( -0.184 2.872 0.301) 2.893 4.611 ( 1.038 -1.439 -3.908) 4.292 4.710 ( -0.212 1.465 -3.949) 4.217 4.850 ( -0.164 -2.423 -1.405) 2.806 4.874 ( 0.798 0.584 -0.796) 1.270 4.893 ( 0.087 -0.060 0.658) 0.666 4.959 ( 1.120 1.968 -0.513) 2.322 5.033 ( 2.926 -1.301 -3.483) 4.731 5.095 ( 0.167 0.491 1.002) 1.129 5.161 ( 0.844 -1.755 -1.010) 2.194 5.179 ( 0.527 0.920 0.620) 1.228 5.212 ( -1.161 0.053 -0.440) 1.243 5.278 ( 1.320 -0.560 4.887) 5.093 5.293 ( -0.252 -1.289 4.100) 4.305 5.408 ( -0.453 2.613 2.505) 3.648 5.474 ( -0.697 -0.871 1.354) 1.754 5.683 ( -3.313 0.904 -1.032) 3.586 5.820 ( -2.360 -5.248 -2.901) 6.444 6.012 ( 2.989 2.341 -0.071) 3.797 6.063 ( 1.301 0.002 -3.586) 3.815 6.170 ( 0.080 3.853 -1.903) 4.298 6.322 ( -1.116 -0.978 -0.673) 1.629 6.354 ( -1.393 -0.216 1.435) 2.012 6.400 ( 2.232 -2.596 -3.714) 5.051 6.928 ( 0.272 -0.096 -0.223) 0.364 6.952 ( 0.160 -0.779 0.135) 0.807 7.063 ( -0.409 4.030 -0.649) 4.102 7.175 ( 0.064 -1.464 -2.295) 2.722 7.279 ( -0.589 0.758 0.685) 1.179 7.317 ( -1.325 -1.164 1.104) 2.081 7.403 ( -0.338 1.005 1.984) 2.249 7.422 ( -0.443 -0.457 0.845) 1.058 7.458 ( 0.840 1.324 0.752) 1.739 7.537 ( 0.833 -1.211 3.249) 3.566 7.647 ( -2.321 3.684 -0.922) 4.451 7.795 ( -1.222 -2.729 -4.089) 5.066 7.991 ( -0.087 -2.067 0.426) 2.112 7.998 ( 0.348 -1.683 2.035) 2.664 8.100 ( 1.197 1.604 0.060) 2.003 8.119 ( 1.313 1.134 -0.838) 1.927 8.272 ( -0.575 -0.061 1.355) 1.473 8.318 ( -0.008 -1.862 0.060) 1.863 8.395 ( 0.906 -0.931 2.045) 2.423 8.459 ( 0.100 -2.662 0.781) 2.776 8.734 ( -0.422 1.753 0.465) 1.862 8.748 ( 0.200 1.458 0.825) 1.687 8.847 ( -0.510 -0.327 -2.437) 2.511 8.865 ( 0.206 -0.716 -1.440) 1.621 11.565 ( -1.240 0.126 0.238) 1.269 11.583 ( -1.490 -0.368 0.232) 1.552 11.703 ( 0.995 1.156 1.256) 1.976 11.753 ( -0.396 -1.190 1.684) 2.099 11.947 ( 0.085 1.050 -0.369) 1.116 11.959 ( -0.279 0.226 -0.042) 0.362 11.977 ( 0.354 -0.390 -0.011) 0.527 11.981 ( 0.970 -0.380 -0.840) 1.338 13.679 ( 0.483 1.034 1.537) 1.914 13.725 ( 0.738 -0.667 0.937) 1.366 13.828 ( -1.172 2.197 4.334) 4.999 14.015 ( -5.332 -6.770 7.841) 11.651 15.566 ( 0.640 0.529 0.267) 0.872 15.583 ( 1.085 0.329 0.870) 1.429 15.652 ( -0.784 0.330 -0.136) 0.862 15.670 ( -1.320 -0.191 -1.067) 1.708 16.908 ( 0.044 -0.023 0.302) 0.306 16.946 ( 0.269 -1.460 1.054) 1.821 17.017 ( -1.068 2.794 -1.322) 3.271 17.080 ( 0.178 0.604 -0.813) 1.028 17.290 ( 0.004 0.821 -0.040) 0.822 17.325 ( -0.210 1.762 -1.274) 2.184 17.362 ( 0.276 -0.706 1.644) 1.810 17.472 ( -1.181 -1.266 -0.033) 1.731 17.492 ( 0.508 0.813 -2.784) 2.944 17.557 ( 3.083 -0.413 -6.715) 7.401 17.638 ( 1.379 2.324 -2.755) 3.859 17.747 ( 0.421 -1.713 -3.317) 3.757 18.192 ( 2.200 1.172 4.385) 5.044 18.276 ( 0.640 -2.258 1.911) 3.026 18.444 ( -1.828 2.401 2.704) 4.052 18.517 ( -6.737 -0.544 3.401) 7.567 ======================= Grid point 32 (17/48) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -0.621 1.202 17.822) 17.873 0.806 ( -1.777 6.449 11.298) 13.129 0.951 ( 3.015 2.091 7.036) 7.936 1.114 ( -2.624 -5.153 5.504) 7.983 1.289 ( 2.835 1.638 1.537) 3.617 1.460 ( 7.763 -6.865 -1.436) 10.463 1.582 ( 1.609 2.993 -4.659) 5.766 1.723 ( -3.548 2.791 4.734) 6.541 1.773 ( -1.284 -0.480 3.656) 3.905 1.896 ( -1.293 -0.940 -3.685) 4.016 1.941 ( -0.282 1.305 -0.488) 1.422 2.025 ( 2.562 0.190 -3.384) 4.249 2.056 ( 0.397 -1.962 -0.973) 2.226 2.087 ( -1.988 4.984 -1.271) 5.514 2.145 ( 1.737 0.369 -4.799) 5.117 2.231 ( 0.494 -3.238 -2.265) 3.982 2.261 ( -2.744 0.190 0.975) 2.918 2.353 ( 3.419 -1.710 0.460) 3.850 2.418 ( 0.720 -1.249 -1.438) 2.036 2.513 ( 0.493 0.394 1.684) 1.798 2.555 ( -0.890 -1.092 -0.202) 1.423 2.619 ( 2.582 0.642 1.451) 3.031 2.688 ( -1.851 -0.730 0.896) 2.183 2.717 ( -3.205 0.501 4.379) 5.450 2.839 ( -1.529 2.043 6.212) 6.716 2.880 ( -3.883 1.370 -2.897) 5.034 2.919 ( 0.509 -0.781 1.592) 1.845 2.993 ( 0.056 -1.923 2.089) 2.840 3.074 ( -0.207 2.257 -0.790) 2.401 3.126 ( -2.424 0.773 0.516) 2.596 3.157 ( 1.567 -1.855 2.391) 3.408 3.205 ( 0.545 -0.226 -1.859) 1.950 3.240 ( -1.477 -2.858 -0.395) 3.241 3.299 ( 2.659 -0.432 -0.322) 2.713 3.332 ( -0.687 0.230 2.068) 2.191 3.362 ( -0.515 -3.594 2.570) 4.448 3.427 ( 0.419 -1.031 2.111) 2.386 3.470 ( 1.304 1.500 -0.612) 2.079 3.537 ( -0.362 0.096 -0.737) 0.827 3.600 ( 0.359 -2.701 3.236) 4.230 3.651 ( -2.217 2.826 -1.401) 3.855 3.739 ( -0.857 1.577 -0.809) 1.968 3.903 ( -0.848 -1.168 -5.566) 5.750 3.957 ( -1.730 -2.579 -5.334) 6.172 3.988 ( 0.377 1.752 1.819) 2.554 4.022 ( 0.107 1.019 1.003) 1.433 4.082 ( 1.928 -0.141 1.477) 2.433 4.103 ( 0.575 -3.258 1.693) 3.717 4.267 ( -0.203 1.326 -2.252) 2.621 4.328 ( 1.320 1.787 0.784) 2.356 4.355 ( 0.827 1.765 -1.271) 2.327 4.448 ( -0.795 0.904 1.347) 1.807 4.508 ( 0.484 1.186 0.808) 1.514 4.631 ( 0.543 -1.630 -1.486) 2.272 4.701 ( -0.311 2.077 -4.035) 4.549 4.827 ( -1.369 -1.906 -4.179) 4.792 4.885 ( -0.010 0.472 0.140) 0.493 4.897 ( -0.075 0.425 -0.110) 0.446 4.978 ( 0.143 1.849 0.084) 1.856 5.074 ( 0.238 -1.769 -0.762) 1.940 5.097 ( 0.388 0.440 -1.341) 1.464 5.160 ( -0.177 -2.098 -1.885) 2.826 5.202 ( 1.105 1.007 0.029) 1.495 5.219 ( 1.005 0.584 -0.811) 1.417 5.265 ( -1.742 -0.562 4.163) 4.548 5.315 ( 1.286 -2.004 5.711) 6.188 5.408 ( 0.375 2.189 3.130) 3.838 5.475 ( 0.957 -1.026 2.628) 2.979 5.631 ( -1.113 1.343 -0.124) 1.749 5.774 ( -1.454 -5.647 -3.845) 6.984 6.049 ( 0.304 3.151 -2.426) 3.988 6.089 ( 1.048 1.740 -4.262) 4.722 6.188 ( 1.020 2.276 0.282) 2.510 6.278 ( -1.981 0.231 -0.158) 2.001 6.330 ( -0.662 -0.109 1.422) 1.572 6.443 ( 1.101 -5.100 -5.550) 7.617 6.935 ( 0.308 0.137 0.445) 0.559 6.958 ( 0.369 -0.415 0.765) 0.945 7.047 ( -0.799 4.290 -0.733) 4.425 7.179 ( 0.139 -1.950 -2.723) 3.352 7.278 ( 0.574 0.828 -0.273) 1.043 7.316 ( 0.967 -0.775 0.220) 1.259 7.391 ( -0.677 1.676 2.368) 2.979 7.408 ( -0.592 0.415 1.937) 2.068 7.479 ( 0.735 1.469 0.039) 1.643 7.546 ( -0.096 -0.391 2.236) 2.272 7.628 ( 0.918 1.928 0.995) 2.356 7.751 ( -2.539 -3.140 -2.678) 4.846 7.990 ( -0.048 -1.325 0.408) 1.387 8.011 ( 0.778 -1.838 2.173) 2.951 8.119 ( 0.415 1.902 -0.405) 1.988 8.138 ( 0.418 1.252 0.329) 1.361 8.259 ( -0.535 0.088 0.639) 0.838 8.318 ( 0.048 -1.597 0.257) 1.618 8.402 ( -0.146 -0.837 1.177) 1.451 8.454 ( -0.430 -2.436 0.287) 2.490 8.723 ( -0.428 1.997 -0.327) 2.068 8.758 ( 0.468 0.867 1.282) 1.617 8.835 ( -0.444 0.123 -2.534) 2.576 8.869 ( 0.186 -0.810 -1.227) 1.481 11.551 ( -0.023 0.005 0.840) 0.840 11.561 ( -0.351 -0.093 0.931) 0.999 11.714 ( -0.014 0.915 0.911) 1.291 11.744 ( -0.521 -0.306 1.068) 1.228 11.941 ( -0.539 1.119 -1.237) 1.753 11.951 ( -0.412 0.543 -0.526) 0.860 11.988 ( 0.614 -0.312 0.740) 1.011 12.004 ( 0.813 -0.788 -0.381) 1.195 13.700 ( 1.505 1.039 1.548) 2.396 13.745 ( 1.003 -0.625 1.681) 2.055 13.798 ( -1.415 1.579 3.307) 3.929 13.895 ( -5.357 -2.188 6.607) 8.783 15.577 ( 0.176 0.926 0.124) 0.951 15.600 ( 0.058 1.397 0.286) 1.428 15.630 ( -0.784 -1.007 0.007) 1.276 15.654 ( 0.074 -0.564 -0.908) 1.072 16.913 ( 0.372 0.153 0.149) 0.428 16.943 ( -0.500 -1.015 0.865) 1.425 17.011 ( 0.266 2.468 -0.581) 2.550 17.078 ( -0.221 -0.082 -0.500) 0.553 17.288 ( -0.136 0.702 -0.278) 0.767 17.320 ( -0.287 1.608 -1.392) 2.146 17.369 ( 0.261 -0.801 1.496) 1.717 17.458 ( -0.247 -2.582 0.241) 2.605 17.518 ( 1.569 2.062 -2.648) 3.705 17.582 ( -0.095 1.491 -2.783) 3.159 17.691 ( 2.569 -1.397 -6.470) 7.100 17.757 ( 0.561 -2.028 -4.342) 4.825 18.249 ( 3.042 -0.107 5.241) 6.060 18.284 ( -0.678 -2.054 3.948) 4.502 18.399 ( -2.812 1.876 2.217) 4.043 18.403 ( -2.136 1.298 2.130) 3.284 ======================= Grid point 33 (18/48) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -2.241 7.967 20.335) 21.954 0.785 ( -5.912 12.804 8.856) 16.653 1.015 ( 5.523 -9.513 7.690) 13.422 1.082 ( 1.146 -4.207 5.289) 6.854 1.407 ( 4.956 1.560 1.954) 5.551 1.523 ( -3.867 -1.879 3.266) 5.400 1.606 ( -5.029 0.946 -1.421) 5.311 1.655 ( 4.673 3.135 -2.453) 6.138 1.733 ( -2.032 -3.371 5.918) 7.107 1.874 ( -1.212 1.391 -4.896) 5.233 1.915 ( -0.568 2.885 0.436) 2.973 2.022 ( -0.952 0.260 -1.842) 2.089 2.035 ( -2.336 0.561 -1.628) 2.903 2.109 ( 0.975 -1.302 -3.958) 4.280 2.197 ( 0.075 -0.002 1.448) 1.450 2.236 ( 3.099 -1.491 -3.840) 5.155 2.307 ( 5.371 -3.637 -1.611) 6.684 2.420 ( 1.247 -3.983 -2.208) 4.721 2.463 ( 3.655 -1.098 0.214) 3.822 2.497 ( -1.237 3.402 6.134) 7.123 2.564 ( 2.834 -3.271 -0.688) 4.382 2.617 ( -2.581 -5.900 6.656) 9.261 2.666 ( -1.347 3.395 2.210) 4.269 2.718 ( 3.567 3.690 1.289) 5.292 2.758 ( -4.147 3.809 -1.489) 5.824 2.859 ( 0.908 -1.047 2.192) 2.593 2.919 ( -0.386 0.906 0.083) 0.988 2.991 ( -0.162 -0.208 -0.478) 0.545 3.035 ( -3.389 -0.531 0.308) 3.444 3.080 ( -1.118 2.340 -2.035) 3.297 3.153 ( -1.633 -0.024 1.976) 2.563 3.210 ( 0.121 0.367 0.482) 0.618 3.232 ( 1.785 0.094 -1.790) 2.529 3.302 ( -1.906 0.884 0.834) 2.260 3.343 ( -0.167 -4.206 2.744) 5.025 3.375 ( 1.792 -1.867 0.630) 2.664 3.407 ( -2.456 -1.640 1.033) 3.128 3.507 ( 1.636 -1.288 1.744) 2.716 3.529 ( 0.607 1.512 1.763) 2.400 3.573 ( -1.987 -0.575 -0.579) 2.148 3.682 ( 3.856 1.115 0.005) 4.014 3.754 ( 2.086 -1.145 -0.617) 2.458 3.899 ( 0.244 -0.617 -5.409) 5.450 3.916 ( -1.573 -1.060 -4.953) 5.304 4.002 ( 0.667 0.773 -0.452) 1.116 4.016 ( -0.473 2.229 1.795) 2.900 4.099 ( 0.482 -1.962 -0.289) 2.041 4.132 ( 0.590 -1.143 2.383) 2.708 4.268 ( 0.242 0.653 -1.151) 1.345 4.332 ( -0.930 0.694 -0.310) 1.201 4.369 ( 0.389 1.687 -0.944) 1.972 4.447 ( 0.699 1.310 2.172) 2.631 4.521 ( 0.588 1.933 0.267) 2.038 4.635 ( -0.009 -1.214 0.238) 1.237 4.694 ( -0.614 1.222 -4.352) 4.562 4.803 ( -0.679 -1.966 -4.055) 4.557 4.870 ( -1.158 1.077 0.170) 1.591 4.891 ( -0.247 0.421 -0.033) 0.490 4.971 ( -0.441 1.977 -0.187) 2.034 5.056 ( -1.977 -0.896 -2.123) 3.036 5.090 ( -0.795 0.355 -0.620) 1.069 5.154 ( -0.848 -2.348 -1.465) 2.895 5.209 ( -0.355 1.603 0.716) 1.791 5.236 ( -0.649 -0.143 2.793) 2.871 5.243 ( 1.344 -0.294 -0.088) 1.379 5.329 ( 0.325 -3.069 3.627) 4.762 5.426 ( 1.109 2.218 3.796) 4.534 5.502 ( 1.004 -1.308 3.952) 4.282 5.644 ( 2.325 1.363 1.321) 3.002 5.765 ( 0.636 -4.779 -2.653) 5.503 6.027 ( -2.162 3.752 -3.930) 5.848 6.110 ( 0.800 0.250 -3.522) 3.620 6.179 ( -1.275 2.410 -1.714) 3.220 6.274 ( 1.182 -0.399 -0.299) 1.283 6.320 ( -0.480 0.419 -1.063) 1.239 6.443 ( -0.793 -4.873 -3.578) 6.098 6.937 ( -0.137 0.220 0.641) 0.692 6.963 ( 0.029 -0.246 0.782) 0.821 7.040 ( 0.131 4.342 -0.933) 4.443 7.179 ( -0.033 -2.209 -2.551) 3.374 7.301 ( 1.438 1.238 -0.452) 1.951 7.345 ( 1.498 -0.092 1.067) 1.842 7.378 ( -0.432 1.917 2.361) 3.072 7.403 ( 0.074 0.315 2.087) 2.112 7.475 ( -0.802 0.401 -1.737) 1.955 7.547 ( -0.123 -1.267 3.696) 3.909 7.664 ( 1.451 0.907 2.407) 2.953 7.714 ( 0.028 -1.950 -3.478) 3.988 7.990 ( 0.054 -0.912 0.592) 1.089 8.023 ( 0.152 -1.708 2.214) 2.801 8.117 ( -0.639 1.759 -0.665) 1.986 8.134 ( -0.704 1.395 0.128) 1.568 8.248 ( -0.573 0.330 -0.006) 0.661 8.322 ( 0.388 -1.868 0.575) 1.993 8.393 ( -0.744 -0.266 1.695) 1.870 8.443 ( -0.585 -2.284 0.031) 2.358 8.718 ( -0.071 2.184 -0.562) 2.256 8.766 ( 0.289 0.195 1.136) 1.188 8.832 ( 0.109 0.437 -2.525) 2.565 8.872 ( 0.073 -0.831 -1.219) 1.478 11.565 ( 1.311 -0.024 1.234) 1.801 11.572 ( 1.270 -0.039 1.476) 1.948 11.702 ( -1.038 1.106 0.456) 1.584 11.730 ( -0.712 -0.155 0.748) 1.044 11.929 ( -0.449 1.005 -1.053) 1.523 11.944 ( -0.155 0.447 -0.553) 0.728 11.996 ( 0.084 -0.223 0.493) 0.548 12.010 ( -0.337 -0.764 -0.298) 0.887 13.734 ( 0.595 0.517 1.937) 2.091 13.758 ( 0.861 0.646 1.958) 2.235 13.782 ( -1.281 -0.019 4.482) 4.662 13.810 ( -0.851 0.319 3.836) 3.943 15.565 ( -1.000 0.515 -0.054) 1.126 15.584 ( -1.204 0.577 -0.602) 1.464 15.632 ( 0.772 0.071 -0.024) 0.776 15.672 ( 1.235 -0.795 -0.116) 1.473 16.921 ( 0.274 -0.185 -0.009) 0.331 16.931 ( -0.550 -1.020 0.886) 1.458 17.021 ( 0.715 2.797 -0.331) 2.906 17.075 ( -0.094 0.302 -0.491) 0.584 17.287 ( 0.015 0.661 -0.362) 0.754 17.314 ( -0.232 1.203 -1.436) 1.888 17.370 ( -0.143 -0.509 1.221) 1.331 17.458 ( 0.175 -3.301 0.207) 3.312 17.543 ( 0.457 1.997 -1.901) 2.794 17.573 ( -0.410 2.292 -2.102) 3.137 17.724 ( 0.657 -1.543 -5.341) 5.598 17.769 ( 0.280 -2.912 -5.989) 6.666 18.230 ( -3.460 -0.217 4.427) 5.623 18.296 ( 0.433 -2.921 4.596) 5.463 18.390 ( 1.724 2.138 1.976) 3.384 18.417 ( 3.730 1.497 3.031) 5.034 ======================= Grid point 34 (19/48) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 2.447 11.137 19.290) 22.409 0.655 ( -4.921 16.218 9.726) 19.540 1.025 ( -2.787 -6.158 14.803) 16.273 1.135 ( -0.980 -0.718 4.969) 5.115 1.343 ( -6.927 -3.864 11.286) 13.794 1.478 ( 2.003 -3.070 7.515) 8.362 1.598 ( 2.396 -0.877 -6.613) 7.088 1.700 ( -0.432 -4.621 2.404) 5.226 1.758 ( 3.534 5.615 -1.482) 6.798 1.856 ( -1.106 0.074 -4.462) 4.597 1.899 ( 1.189 7.201 2.979) 7.882 2.009 ( -0.795 -0.645 -0.114) 1.030 2.041 ( 1.925 -0.928 -0.820) 2.288 2.067 ( -2.321 -0.776 -3.347) 4.147 2.231 ( 1.802 -1.353 2.273) 3.201 2.259 ( -0.839 -2.197 0.049) 2.352 2.387 ( -1.261 0.076 -0.748) 1.468 2.405 ( 0.997 -3.381 -4.233) 5.509 2.461 ( -2.650 -3.006 0.960) 4.121 2.527 ( -4.529 -2.891 4.689) 7.132 2.559 ( 3.298 0.402 -0.633) 3.383 2.614 ( -1.733 -2.713 -2.382) 4.005 2.680 ( 4.680 0.204 -2.159) 5.158 2.734 ( 1.053 3.344 0.516) 3.544 2.779 ( 2.519 1.108 3.901) 4.775 2.889 ( 1.263 -3.859 1.589) 4.360 2.936 ( 2.380 -0.547 1.072) 2.667 2.963 ( -1.353 -0.216 2.656) 2.988 2.981 ( -1.618 2.775 -3.278) 4.589 3.071 ( 0.343 3.163 -2.965) 4.349 3.139 ( -0.304 0.674 -1.231) 1.436 3.204 ( -1.736 2.488 -0.443) 3.066 3.260 ( 0.881 -0.115 2.556) 2.706 3.290 ( 1.376 3.218 0.242) 3.508 3.310 ( -2.542 -2.626 2.441) 4.396 3.332 ( -2.253 -3.308 -1.387) 4.236 3.427 ( 1.476 0.408 0.945) 1.800 3.509 ( -0.495 -0.939 2.596) 2.805 3.546 ( 0.112 -3.741 2.045) 4.264 3.582 ( 2.595 -1.121 2.107) 3.526 3.761 ( 2.670 -0.810 -1.158) 3.021 3.789 ( 0.593 -0.872 -4.547) 4.668 3.907 ( 0.480 -0.007 -4.802) 4.826 3.911 ( 1.368 0.292 -1.846) 2.316 3.999 ( -0.588 3.501 0.736) 3.625 4.022 ( 0.691 0.646 -1.826) 2.057 4.106 ( -0.504 -2.759 0.467) 2.843 4.116 ( -0.944 -0.933 -0.349) 1.372 4.254 ( -1.128 2.313 -1.151) 2.819 4.333 ( 0.878 0.736 0.031) 1.146 4.371 ( -0.188 1.653 0.685) 1.799 4.458 ( 0.049 -0.756 2.263) 2.386 4.523 ( -0.394 4.805 -0.466) 4.843 4.624 ( -1.299 -1.179 -2.396) 2.969 4.685 ( 0.376 0.383 -1.148) 1.268 4.804 ( 0.760 -2.280 -1.460) 2.812 4.852 ( -0.393 1.579 -0.865) 1.843 4.890 ( 0.123 0.262 0.436) 0.523 4.965 ( -0.266 1.289 -0.230) 1.336 5.003 ( -2.073 -0.355 -3.499) 4.082 5.078 ( -0.310 0.376 0.137) 0.506 5.127 ( -1.137 -2.107 -1.370) 2.758 5.197 ( -0.686 2.072 1.931) 2.914 5.236 ( 0.474 0.182 2.329) 2.383 5.271 ( 1.073 -0.745 0.491) 1.396 5.331 ( -0.589 -3.862 2.021) 4.398 5.440 ( 0.027 1.981 2.620) 3.285 5.507 ( -0.435 -1.035 3.048) 3.248 5.710 ( 3.184 1.144 2.320) 4.103 5.799 ( 2.321 -3.197 -0.203) 3.956 5.967 ( -2.937 3.604 -3.782) 5.993 6.097 ( -1.799 -2.431 -2.187) 3.732 6.191 ( 2.110 2.336 -4.391) 5.403 6.262 ( -2.094 -0.791 -6.541) 6.914 6.333 ( 1.652 1.141 0.766) 2.149 6.425 ( -0.784 -2.616 0.607) 2.797 6.932 ( -0.276 -0.094 -0.027) 0.292 6.959 ( -0.328 -0.241 0.132) 0.428 7.048 ( 0.551 4.162 -0.795) 4.273 7.179 ( 0.070 -2.006 -1.938) 2.790 7.317 ( -0.374 1.874 1.000) 2.156 7.370 ( 1.222 1.188 2.964) 3.419 7.390 ( 1.459 0.238 -0.233) 1.497 7.406 ( -0.195 -1.814 1.248) 2.210 7.460 ( -0.558 0.069 -1.958) 2.037 7.531 ( -0.956 -3.604 5.412) 6.572 7.689 ( 1.364 1.549 0.413) 2.105 7.752 ( 2.537 -0.957 -3.912) 4.760 7.993 ( 0.192 -1.029 0.815) 1.327 8.015 ( -0.813 -1.741 1.879) 2.688 8.094 ( -1.282 1.586 -0.611) 2.130 8.114 ( -1.237 1.425 -1.405) 2.353 8.239 ( 0.124 1.313 0.691) 1.489 8.330 ( 0.047 -1.954 1.347) 2.373 8.376 ( -0.651 0.311 2.758) 2.851 8.435 ( 0.014 -2.302 0.672) 2.398 8.720 ( 0.303 2.322 -0.318) 2.363 8.769 ( -0.028 -0.070 0.909) 0.912 8.838 ( 0.436 0.196 -2.612) 2.656 8.872 ( -0.131 -0.812 -1.386) 1.612 11.598 ( 1.430 -0.164 0.902) 1.698 11.603 ( 1.106 -0.246 0.957) 1.483 11.677 ( -1.079 1.717 0.338) 2.056 11.725 ( 0.728 -0.894 1.608) 1.979 11.926 ( 0.193 0.811 -0.359) 0.908 11.945 ( 0.272 0.131 -0.318) 0.438 11.990 ( -0.784 -0.279 -0.089) 0.837 11.995 ( -0.722 -0.248 -0.392) 0.858 13.718 ( -2.231 0.267 2.814) 3.601 13.724 ( -0.856 0.092 0.723) 1.124 13.815 ( 1.932 0.832 4.651) 5.105 13.872 ( 6.561 0.050 5.976) 8.875 15.550 ( -0.275 0.241 -0.184) 0.409 15.560 ( -0.840 -0.067 0.001) 0.842 15.650 ( 0.731 0.948 -0.465) 1.284 15.693 ( 0.596 -0.615 -0.033) 0.857 16.918 ( -0.479 -0.899 0.941) 1.387 16.927 ( 0.285 -1.045 0.056) 1.085 17.041 ( 1.133 2.968 -0.598) 3.233 17.072 ( -0.336 1.406 -0.890) 1.698 17.287 ( -0.008 0.759 -0.217) 0.789 17.313 ( 0.269 0.962 -1.322) 1.657 17.364 ( -0.323 -0.198 1.083) 1.147 17.462 ( 0.262 -2.608 -0.182) 2.627 17.529 ( -1.468 1.663 -1.654) 2.767 17.570 ( -0.262 1.129 -2.870) 3.096 17.725 ( -1.159 -1.783 -4.913) 5.353 17.748 ( -1.956 -2.339 -5.245) 6.067 18.170 ( -1.829 1.211 3.999) 4.561 18.283 ( -0.938 -3.030 2.127) 3.819 18.438 ( 2.118 2.905 2.581) 4.425 18.541 ( 6.843 -1.731 4.389) 8.312 ======================= Grid point 35 (20/48) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -1.455 -10.109 13.642) 17.041 0.778 ( -1.455 10.109 13.642) 17.041 0.973 ( 0.282 -12.913 3.861) 13.481 0.973 ( 0.282 12.913 3.861) 13.481 1.331 ( -2.981 -11.327 12.774) 17.331 1.331 ( -2.981 11.327 12.774) 17.331 1.635 ( 1.290 -2.965 -3.129) 4.500 1.635 ( 1.290 2.965 -3.129) 4.500 1.901 ( 0.974 -1.949 -3.879) 4.449 1.901 ( 0.974 1.949 -3.879) 4.449 1.964 ( -0.825 -0.251 2.567) 2.708 1.964 ( -0.825 0.251 2.567) 2.708 2.080 ( 2.819 -2.924 4.131) 5.793 2.080 ( 2.819 2.924 4.131) 5.793 2.196 ( -2.256 -1.968 -0.895) 3.124 2.196 ( -2.256 1.968 -0.895) 3.124 2.350 ( -1.462 -1.173 -0.583) 1.963 2.350 ( -1.462 1.173 -0.583) 1.963 2.428 ( 1.593 -2.298 1.523) 3.184 2.428 ( 1.593 2.298 1.523) 3.184 2.561 ( -1.926 -1.356 -2.338) 3.319 2.561 ( -1.926 1.356 -2.338) 3.319 2.755 ( 0.194 -1.404 -2.002) 2.453 2.755 ( 0.194 1.404 -2.002) 2.453 2.857 ( 2.535 -1.202 3.048) 4.143 2.857 ( 2.535 1.202 3.048) 4.143 2.935 ( -0.452 -3.052 -2.215) 3.798 2.935 ( -0.452 3.052 -2.215) 3.798 3.065 ( -0.063 -4.816 -2.834) 5.588 3.065 ( -0.063 4.816 -2.834) 5.588 3.207 ( 0.600 -3.353 -0.609) 3.460 3.207 ( 0.600 3.353 -0.609) 3.460 3.248 ( 0.595 -1.012 4.548) 4.697 3.248 ( 0.595 1.012 4.548) 4.697 3.313 ( -1.342 -2.579 2.089) 3.580 3.313 ( -1.342 2.579 2.089) 3.580 3.463 ( 0.904 -2.309 1.317) 2.808 3.463 ( 0.904 2.309 1.317) 2.808 3.560 ( -0.261 -2.265 0.973) 2.478 3.560 ( -0.261 2.265 0.973) 2.478 3.781 ( 0.320 -0.388 -3.616) 3.650 3.781 ( 0.320 0.388 -3.616) 3.650 3.931 ( 0.140 -0.849 -1.031) 1.342 3.931 ( 0.140 0.849 -1.031) 1.342 4.026 ( -0.522 -2.481 -0.332) 2.557 4.026 ( -0.522 2.481 -0.332) 2.557 4.073 ( -0.287 -1.697 -1.784) 2.479 4.073 ( -0.287 1.697 -1.784) 2.479 4.313 ( -0.250 -2.802 -0.707) 2.900 4.313 ( -0.250 2.802 -0.707) 2.900 4.417 ( -0.237 -2.585 1.006) 2.784 4.417 ( -0.237 2.585 1.006) 2.784 4.577 ( -0.925 -1.393 -3.177) 3.590 4.577 ( -0.925 1.393 -3.177) 3.590 4.759 ( 1.448 -4.479 -0.461) 4.730 4.759 ( 1.448 4.479 -0.461) 4.730 4.878 ( 0.003 -1.235 0.867) 1.508 4.878 ( 0.003 1.235 0.867) 1.508 4.972 ( 0.235 -0.948 -2.424) 2.614 4.972 ( 0.235 0.948 -2.424) 2.614 5.101 ( 1.154 -1.311 -0.689) 1.878 5.101 ( 1.154 1.311 -0.689) 1.878 5.225 ( -1.698 -2.380 1.784) 3.425 5.225 ( -1.698 2.380 1.784) 3.425 5.267 ( 0.587 -1.187 2.795) 3.092 5.267 ( 0.587 1.187 2.795) 3.092 5.466 ( -0.814 -1.647 1.821) 2.587 5.466 ( -0.814 1.647 1.821) 2.587 5.780 ( -0.686 -2.626 0.212) 2.723 5.780 ( -0.686 2.626 0.212) 2.723 6.002 ( 0.481 -2.671 -1.985) 3.362 6.002 ( 0.481 2.671 -1.985) 3.362 6.243 ( 0.897 -2.218 -5.293) 5.809 6.243 ( 0.897 2.218 -5.293) 5.809 6.382 ( -0.269 -1.095 1.048) 1.540 6.382 ( -0.269 1.095 1.048) 1.540 6.936 ( -0.278 -0.925 -0.312) 1.015 6.936 ( -0.278 0.925 -0.312) 1.015 7.134 ( 0.203 -2.853 -1.569) 3.263 7.134 ( 0.203 2.853 -1.569) 3.263 7.327 ( -1.993 -1.570 1.572) 2.985 7.327 ( -1.993 1.570 1.572) 2.985 7.410 ( 0.595 -0.286 0.584) 0.881 7.410 ( 0.595 0.286 0.584) 0.881 7.478 ( 0.848 -1.953 2.457) 3.251 7.478 ( 0.848 1.953 2.457) 3.251 7.747 ( 0.047 -2.583 -3.539) 4.382 7.747 ( 0.047 2.583 -3.539) 4.382 7.975 ( -0.407 -0.236 1.305) 1.387 7.975 ( -0.407 0.236 1.305) 1.387 8.102 ( 0.180 -0.502 -0.980) 1.116 8.102 ( 0.180 0.502 -0.980) 1.116 8.290 ( -0.065 -1.508 1.173) 1.912 8.290 ( -0.065 1.508 1.173) 1.912 8.394 ( 0.550 -1.931 2.914) 3.539 8.394 ( 0.550 1.931 2.914) 3.539 8.765 ( 0.107 -0.726 -0.092) 0.740 8.765 ( 0.107 0.726 -0.092) 0.740 8.849 ( -0.082 -0.684 -2.065) 2.177 8.849 ( -0.082 0.684 -2.065) 2.177 11.600 ( -0.947 -0.346 0.094) 1.012 11.600 ( -0.947 0.346 0.094) 1.012 11.712 ( 0.823 -1.612 1.229) 2.188 11.712 ( 0.823 1.612 1.229) 2.188 11.948 ( 0.611 -0.460 0.210) 0.793 11.948 ( 0.611 0.460 0.210) 0.793 11.977 ( -0.451 -0.357 -0.777) 0.967 11.977 ( -0.451 0.357 -0.777) 0.967 13.703 ( -0.459 -0.958 1.426) 1.778 13.703 ( -0.459 0.958 1.426) 1.778 13.904 ( 1.493 -4.574 4.858) 6.837 13.904 ( 1.493 4.574 4.858) 6.837 15.558 ( 0.686 -0.160 0.546) 0.891 15.558 ( 0.686 0.160 0.546) 0.891 15.680 ( -0.277 -0.935 -0.420) 1.062 15.680 ( -0.277 0.935 -0.420) 1.062 16.913 ( 0.194 -0.680 0.657) 0.965 16.913 ( 0.194 0.680 0.657) 0.965 17.082 ( -0.468 -0.509 -1.251) 1.429 17.082 ( -0.468 0.509 -1.251) 1.429 17.312 ( 0.220 -1.366 0.022) 1.384 17.312 ( 0.220 1.366 0.022) 1.384 17.407 ( 0.458 -3.817 -0.057) 3.845 17.407 ( 0.458 3.817 -0.057) 3.845 17.528 ( -1.379 -1.399 -3.857) 4.329 17.528 ( -1.379 1.399 -3.857) 4.329 17.699 ( -0.453 -2.439 -2.476) 3.505 17.699 ( -0.453 2.439 -2.476) 3.505 18.209 ( 0.323 -2.951 3.233) 4.389 18.209 ( 0.323 2.951 3.233) 4.389 18.538 ( -0.177 -3.731 1.616) 4.069 18.538 ( -0.177 3.731 1.616) 4.069 ======================= Grid point 37 (21/48) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.662 -13.780 14.060) 19.698 0.769 ( -0.662 13.780 14.060) 19.698 1.029 ( 4.809 -11.180 7.417) 14.253 1.029 ( 4.809 11.180 7.417) 14.253 1.247 ( -3.314 -8.015 4.100) 9.593 1.247 ( -3.314 8.015 4.100) 9.593 1.675 ( 2.361 -5.693 -3.472) 7.074 1.675 ( 2.361 5.693 -3.472) 7.074 1.876 ( -3.279 -4.500 -0.255) 5.574 1.876 ( -3.279 4.500 -0.255) 5.574 1.965 ( 1.042 -2.821 0.917) 3.144 1.965 ( 1.042 2.821 0.917) 3.144 2.108 ( -1.059 -5.372 -0.016) 5.475 2.108 ( -1.059 5.372 -0.016) 5.475 2.185 ( 1.994 -3.001 1.819) 4.036 2.185 ( 1.994 3.001 1.819) 4.036 2.316 ( -2.240 -1.857 -1.606) 3.323 2.316 ( -2.240 1.857 -1.606) 3.323 2.455 ( -0.328 -1.459 0.431) 1.556 2.455 ( -0.328 1.459 0.431) 1.556 2.547 ( 1.375 -0.178 -2.338) 2.718 2.547 ( 1.375 0.178 -2.338) 2.718 2.739 ( -1.016 -1.426 -0.572) 1.842 2.739 ( -1.016 1.426 -0.572) 1.842 2.901 ( -1.092 -1.564 -1.063) 2.183 2.901 ( -1.092 1.564 -1.063) 2.183 2.941 ( 3.546 -0.986 4.628) 5.913 2.941 ( 3.546 0.986 4.628) 5.913 3.061 ( -0.872 -5.604 -1.091) 5.776 3.061 ( -0.872 5.604 -1.091) 5.776 3.201 ( -1.206 -1.297 -1.730) 2.476 3.201 ( -1.206 1.297 -1.730) 2.476 3.269 ( 0.964 -3.578 -0.590) 3.752 3.269 ( 0.964 3.578 -0.590) 3.752 3.297 ( 0.145 -2.184 6.781) 7.125 3.297 ( 0.145 2.184 6.781) 7.125 3.485 ( 0.571 -1.781 0.572) 1.956 3.485 ( 0.571 1.781 0.572) 1.956 3.529 ( -1.461 -1.908 0.676) 2.496 3.529 ( -1.461 1.908 0.676) 2.496 3.777 ( -1.457 -1.588 -1.931) 2.894 3.777 ( -1.457 1.588 -1.931) 2.894 3.915 ( -0.554 -1.557 -2.928) 3.362 3.915 ( -0.554 1.557 -2.928) 3.362 4.039 ( 0.992 -0.776 0.232) 1.280 4.039 ( 0.992 0.776 0.232) 1.280 4.051 ( -1.360 -1.038 0.397) 1.756 4.051 ( -1.360 1.038 0.397) 1.756 4.306 ( -0.110 -2.283 -0.607) 2.365 4.306 ( -0.110 2.283 -0.607) 2.365 4.412 ( -0.136 -3.268 0.265) 3.281 4.412 ( -0.136 3.268 0.265) 3.281 4.570 ( 0.230 -2.541 -2.131) 3.325 4.570 ( 0.230 2.541 -2.131) 3.325 4.774 ( -0.184 -4.373 -2.560) 5.070 4.774 ( -0.184 4.373 -2.560) 5.070 4.887 ( 0.743 -0.518 0.796) 1.206 4.887 ( 0.743 0.518 0.796) 1.206 4.999 ( 1.861 -1.898 -2.181) 3.438 4.999 ( 1.861 1.898 -2.181) 3.438 5.119 ( 0.170 -1.843 -0.589) 1.943 5.119 ( 0.170 1.843 -0.589) 1.943 5.205 ( 0.289 -1.063 0.521) 1.219 5.205 ( 0.289 1.063 0.521) 1.219 5.276 ( 0.188 -0.478 4.473) 4.503 5.276 ( 0.188 0.478 4.473) 4.503 5.450 ( -0.651 -1.572 1.764) 2.451 5.450 ( -0.651 1.572 1.764) 2.451 5.728 ( -3.126 -3.493 -1.777) 5.013 5.728 ( -3.126 3.493 -1.777) 5.013 6.047 ( 2.702 -1.309 -0.606) 3.063 6.047 ( 2.702 1.309 -0.606) 3.063 6.264 ( 0.781 -4.411 -3.900) 5.940 6.264 ( 0.781 4.411 -3.900) 5.940 6.361 ( -1.322 -1.021 0.176) 1.680 6.361 ( -1.322 1.021 0.176) 1.680 6.936 ( 0.340 -0.723 0.048) 0.800 6.936 ( 0.340 0.723 0.048) 0.800 7.133 ( -0.256 -2.680 -1.846) 3.265 7.133 ( -0.256 2.680 -1.846) 3.265 7.296 ( -0.772 -0.911 0.499) 1.294 7.296 ( -0.772 0.911 0.499) 1.294 7.414 ( -0.178 -0.378 0.818) 0.919 7.414 ( -0.178 0.378 0.818) 0.919 7.502 ( 1.376 -2.343 2.883) 3.962 7.502 ( 1.376 2.343 2.883) 3.962 7.722 ( -2.111 -3.781 -2.682) 5.094 7.722 ( -2.111 3.781 -2.682) 5.094 7.975 ( 0.307 -0.457 1.227) 1.345 7.975 ( 0.307 0.457 1.227) 1.345 8.123 ( 1.417 -0.541 -0.807) 1.718 8.123 ( 1.417 0.541 -0.807) 1.718 8.284 ( -0.348 -1.236 0.907) 1.572 8.284 ( -0.348 1.236 0.907) 1.572 8.406 ( 0.412 -1.825 2.263) 2.937 8.406 ( 0.412 1.825 2.263) 2.937 8.763 ( -0.198 -0.527 -0.024) 0.563 8.763 ( -0.198 0.527 -0.024) 0.563 8.848 ( -0.010 -0.627 -1.974) 2.071 8.848 ( -0.010 0.627 -1.974) 2.071 11.572 ( -1.308 -0.551 0.330) 1.457 11.572 ( -1.308 0.551 0.330) 1.457 11.728 ( 0.547 -1.220 1.147) 1.762 11.728 ( 0.547 1.220 1.147) 1.762 11.966 ( 0.910 -0.320 0.638) 1.156 11.966 ( 0.910 0.320 0.638) 1.156 11.969 ( -0.287 -0.509 -1.294) 1.420 11.969 ( -0.287 0.509 -1.294) 1.420 13.704 ( 0.577 -1.280 1.336) 1.938 13.704 ( 0.577 1.280 1.336) 1.938 13.898 ( -1.918 -4.567 5.069) 7.087 13.898 ( -1.918 4.567 5.069) 7.087 15.579 ( 1.173 -0.556 0.783) 1.516 15.579 ( 1.173 0.556 0.783) 1.516 15.663 ( -1.307 -0.537 -0.607) 1.538 15.663 ( -1.307 0.537 -0.607) 1.538 16.919 ( 0.305 -1.012 0.817) 1.336 16.919 ( 0.305 1.012 0.817) 1.336 17.068 ( -0.703 -1.772 -1.371) 2.348 17.068 ( -0.703 1.772 -1.371) 2.348 17.316 ( 0.065 -1.565 0.013) 1.566 17.316 ( 0.065 1.565 0.013) 1.566 17.406 ( -0.470 -3.721 0.557) 3.792 17.406 ( -0.470 3.721 0.557) 3.792 17.532 ( 1.533 -2.009 -4.906) 5.519 17.532 ( 1.533 2.009 -4.906) 5.519 17.696 ( 0.190 -3.011 -2.645) 4.012 17.696 ( 0.190 3.011 -2.645) 4.012 18.228 ( 1.302 -2.180 3.656) 4.451 18.228 ( 1.302 2.180 3.656) 4.451 18.491 ( -3.649 -1.940 1.791) 4.504 18.491 ( -3.649 1.940 1.791) 4.504 ======================= Grid point 39 (22/48) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.891 -9.420 17.236) 19.733 0.734 ( -1.891 9.420 17.236) 19.733 1.045 ( -2.153 -7.045 8.190) 11.016 1.045 ( -2.153 7.045 8.190) 11.016 1.329 ( 8.618 -7.055 -2.878) 11.503 1.329 ( 8.618 7.055 -2.878) 11.503 1.714 ( -0.206 -4.276 -3.144) 5.311 1.714 ( -0.206 4.276 -3.144) 5.311 1.791 ( -2.729 -5.644 1.165) 6.376 1.791 ( -2.729 5.644 1.165) 6.376 1.992 ( 0.355 -2.501 -4.166) 4.872 1.992 ( 0.355 2.501 -4.166) 4.872 2.103 ( 1.911 -4.157 -1.248) 4.742 2.103 ( 1.911 4.157 -1.248) 4.742 2.184 ( -3.392 -3.099 -3.015) 5.495 2.184 ( -3.392 3.099 -3.015) 5.495 2.285 ( 0.922 -4.138 1.420) 4.471 2.285 ( 0.922 4.138 1.420) 4.471 2.453 ( 0.651 -4.405 2.001) 4.881 2.453 ( 0.651 4.405 2.001) 4.881 2.568 ( -0.093 -2.100 1.569) 2.623 2.568 ( -0.093 2.100 1.569) 2.623 2.746 ( 1.418 -2.053 -2.689) 3.668 2.746 ( 1.418 2.053 -2.689) 3.668 2.837 ( -3.426 -2.869 4.297) 6.200 2.837 ( -3.426 2.869 4.297) 6.200 3.013 ( -1.723 -4.458 1.170) 4.921 3.013 ( -1.723 4.458 1.170) 4.921 3.046 ( 2.988 -2.874 4.042) 5.790 3.046 ( 2.988 2.874 4.042) 5.790 3.165 ( -1.761 -1.290 -3.593) 4.204 3.165 ( -1.761 1.290 -3.593) 4.204 3.274 ( -0.622 -3.819 2.827) 4.792 3.274 ( -0.622 3.819 2.827) 4.792 3.318 ( 1.606 -1.862 1.493) 2.877 3.318 ( 1.606 1.862 1.493) 2.877 3.461 ( -1.408 -3.348 1.829) 4.066 3.461 ( -1.408 3.348 1.829) 4.066 3.549 ( 1.929 -2.252 -0.541) 3.014 3.549 ( 1.929 2.252 -0.541) 3.014 3.722 ( -2.711 -2.987 -1.105) 4.183 3.722 ( -2.711 2.987 -1.105) 4.183 3.910 ( -0.418 -1.864 -5.038) 5.388 3.910 ( -0.418 1.864 -5.038) 5.388 4.029 ( -0.413 -1.404 2.087) 2.549 4.029 ( -0.413 1.404 2.087) 2.549 4.064 ( 1.459 -0.528 1.606) 2.232 4.064 ( 1.459 0.528 1.606) 2.232 4.308 ( 0.098 -2.320 -1.103) 2.571 4.308 ( 0.098 2.320 -1.103) 2.571 4.414 ( 0.213 -2.902 -0.419) 2.940 4.414 ( 0.213 2.902 -0.419) 2.940 4.581 ( 0.798 -3.542 0.018) 3.631 4.581 ( 0.798 3.542 0.018) 3.631 4.759 ( -0.998 -3.727 -4.004) 5.561 4.759 ( -0.998 3.727 -4.004) 5.561 4.898 ( 0.077 -0.378 0.177) 0.425 4.898 ( 0.077 0.378 0.177) 0.425 5.027 ( 0.488 -2.584 -0.789) 2.745 5.027 ( 0.488 2.584 -0.789) 2.745 5.118 ( -0.014 -1.662 -1.773) 2.430 5.118 ( -0.014 1.662 -1.773) 2.430 5.224 ( 0.960 -0.465 -0.731) 1.293 5.224 ( 0.960 0.465 -0.731) 1.293 5.272 ( -0.579 -1.552 5.112) 5.374 5.272 ( -0.579 1.552 5.112) 5.374 5.447 ( 0.583 -1.648 2.825) 3.322 5.447 ( 0.583 1.648 2.825) 3.322 5.680 ( -1.081 -3.483 -1.367) 3.894 5.680 ( -1.081 3.483 -1.367) 3.894 6.089 ( 0.977 -1.252 -1.655) 2.294 6.089 ( 0.977 1.252 -1.655) 2.294 6.266 ( -0.524 -2.857 -2.269) 3.686 6.266 ( -0.524 2.857 -2.269) 3.686 6.344 ( -0.208 -2.897 -1.376) 3.214 6.344 ( -0.208 2.897 -1.376) 3.214 6.946 ( 0.449 -0.708 0.702) 1.093 6.946 ( 0.449 0.708 0.702) 1.093 7.126 ( -0.336 -3.212 -2.160) 3.885 7.126 ( -0.336 3.212 -2.160) 3.885 7.298 ( 0.916 -1.040 -0.382) 1.438 7.298 ( 0.916 1.040 -0.382) 1.438 7.409 ( -0.200 -0.506 0.989) 1.129 7.409 ( -0.200 0.506 0.989) 1.129 7.525 ( 0.356 -2.034 2.548) 3.280 7.525 ( 0.356 2.034 2.548) 3.280 7.679 ( -1.358 -3.213 -0.881) 3.598 7.679 ( -1.358 3.213 -0.881) 3.598 7.984 ( 0.469 -0.638 1.447) 1.650 7.984 ( 0.469 0.638 1.447) 1.650 8.145 ( 0.434 -0.531 -0.863) 1.102 8.145 ( 0.434 0.531 -0.863) 1.102 8.279 ( -0.126 -1.806 0.978) 2.057 8.279 ( -0.126 1.806 0.978) 2.057 8.409 ( -0.166 -1.514 1.190) 1.933 8.409 ( -0.166 1.514 1.190) 1.933 8.758 ( -0.207 -1.042 -0.303) 1.104 8.758 ( -0.207 1.042 -0.303) 1.104 8.848 ( 0.054 -1.076 -1.670) 1.988 8.848 ( 0.054 1.076 -1.670) 1.988 11.555 ( -0.146 -0.361 0.964) 1.040 11.555 ( -0.146 0.361 0.964) 1.040 11.733 ( -0.165 -0.788 0.778) 1.119 11.733 ( -0.165 0.788 0.778) 1.119 11.959 ( -0.525 -0.140 -1.221) 1.336 11.959 ( -0.525 0.140 -1.221) 1.336 11.986 ( 0.760 -0.581 0.417) 1.043 11.986 ( 0.760 0.581 0.417) 1.043 13.725 ( 1.367 -1.223 1.638) 2.460 13.725 ( 1.367 1.223 1.638) 2.460 13.843 ( -2.867 -2.609 4.222) 5.732 13.843 ( -2.867 2.609 4.222) 5.732 15.601 ( 0.413 -1.244 0.662) 1.469 15.601 ( 0.413 1.244 0.662) 1.469 15.634 ( -0.764 -1.293 -0.738) 1.673 15.634 ( -0.764 1.293 -0.738) 1.673 16.923 ( 0.065 -0.811 0.752) 1.108 16.923 ( 0.065 0.811 0.752) 1.108 17.058 ( -0.054 -1.862 -1.009) 2.118 17.058 ( -0.054 1.862 -1.009) 2.118 17.315 ( -0.168 -1.591 -0.303) 1.629 17.315 ( -0.168 1.591 -0.303) 1.629 17.396 ( -0.332 -2.990 0.726) 3.095 17.396 ( -0.332 2.990 0.726) 3.095 17.569 ( 1.536 -2.453 -4.488) 5.340 17.569 ( 1.536 2.453 -4.488) 5.340 17.706 ( 0.608 -2.524 -3.316) 4.212 17.706 ( 0.608 2.524 -3.316) 4.212 18.255 ( 0.879 -0.805 4.756) 4.903 18.255 ( 0.879 0.805 4.756) 4.903 18.419 ( -2.307 -0.105 1.454) 2.729 18.419 ( -2.307 0.105 1.454) 2.729 ======================= Grid point 41 (23/48) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 2.508 -12.371 16.708) 20.940 0.737 ( 2.508 12.371 16.708) 20.940 1.015 ( -0.981 -6.382 5.988) 8.806 1.015 ( -0.981 6.382 5.988) 8.806 1.457 ( 1.941 -4.610 0.828) 5.070 1.457 ( 1.941 4.610 0.828) 5.070 1.625 ( -4.434 -3.035 0.472) 5.394 1.625 ( -4.434 3.035 0.472) 5.394 1.823 ( 2.583 -8.361 -2.812) 9.192 1.823 ( 2.583 8.361 -2.812) 9.192 1.976 ( -0.466 -3.019 -2.276) 3.809 1.976 ( -0.466 3.019 -2.276) 3.809 2.075 ( -4.156 -2.207 -4.869) 6.771 2.075 ( -4.156 2.207 -4.869) 6.771 2.202 ( 3.746 -1.180 0.565) 3.968 2.202 ( 3.746 1.180 0.565) 3.968 2.324 ( 2.489 -4.604 -2.457) 5.782 2.324 ( 2.489 4.604 -2.457) 5.782 2.468 ( -0.135 -2.849 2.292) 3.659 2.468 ( -0.135 2.849 2.292) 3.659 2.562 ( 0.566 -2.124 6.501) 6.862 2.562 ( 0.566 2.124 6.501) 6.862 2.765 ( -0.175 -4.778 -4.965) 6.893 2.765 ( -0.175 4.778 -4.965) 6.893 2.791 ( -1.044 -1.855 4.107) 4.626 2.791 ( -1.044 1.855 4.107) 4.626 2.950 ( -2.368 -3.472 0.324) 4.215 2.950 ( -2.368 3.472 0.324) 4.215 3.102 ( 1.107 -5.358 3.792) 6.657 3.102 ( 1.107 5.358 3.792) 6.657 3.149 ( 0.648 -4.320 -1.653) 4.671 3.149 ( 0.648 4.320 -1.653) 4.671 3.258 ( -0.514 -3.944 2.139) 4.516 3.258 ( -0.514 3.944 2.139) 4.516 3.339 ( -0.052 -1.930 -0.524) 2.000 3.339 ( -0.052 1.930 -0.524) 2.000 3.449 ( 0.102 -4.699 3.335) 5.764 3.449 ( 0.102 4.699 3.335) 5.764 3.559 ( -1.018 -2.118 -1.420) 2.746 3.559 ( -1.018 2.118 -1.420) 2.746 3.713 ( 2.069 -2.017 -1.138) 3.105 3.713 ( 2.069 2.017 -1.138) 3.105 3.899 ( -0.230 -0.478 -4.625) 4.655 3.899 ( -0.230 0.478 -4.625) 4.655 4.030 ( 0.464 -1.389 0.755) 1.648 4.030 ( 0.464 1.389 0.755) 1.648 4.092 ( 0.582 -2.075 2.479) 3.285 4.092 ( 0.582 2.075 2.479) 3.285 4.306 ( -0.137 -2.399 -1.774) 2.987 4.306 ( -0.137 2.399 -1.774) 2.987 4.417 ( 0.102 -2.428 0.078) 2.431 4.417 ( 0.102 2.428 0.078) 2.431 4.601 ( 0.833 -2.951 0.717) 3.149 4.601 ( 0.833 2.951 0.717) 3.149 4.737 ( -0.961 -3.396 -3.985) 5.323 4.737 ( -0.961 3.396 -3.985) 5.323 4.890 ( -0.598 -0.572 0.446) 0.940 4.890 ( -0.598 0.572 0.446) 0.940 5.022 ( -0.880 -2.401 -1.149) 2.804 5.022 ( -0.880 2.401 -1.149) 2.804 5.109 ( -0.989 -1.627 -1.757) 2.591 5.109 ( -0.989 1.627 -1.757) 2.591 5.237 ( 0.385 -0.345 0.157) 0.540 5.237 ( 0.385 0.345 0.157) 0.540 5.261 ( -0.240 -3.079 3.215) 4.458 5.261 ( -0.240 3.079 3.215) 4.458 5.469 ( 1.027 -1.876 3.675) 4.252 5.469 ( 1.027 1.876 3.675) 4.252 5.687 ( 1.733 -2.850 0.071) 3.336 5.687 ( 1.733 2.850 0.071) 3.336 6.085 ( -1.283 -2.118 -2.350) 3.413 6.085 ( -1.283 2.118 -2.350) 3.413 6.250 ( -0.878 -2.703 -4.435) 5.267 6.250 ( -0.878 2.703 -4.435) 5.267 6.349 ( 0.691 -3.184 -0.194) 3.264 6.349 ( 0.691 3.184 -0.194) 3.264 6.951 ( -0.066 -0.831 0.847) 1.188 6.951 ( -0.066 0.831 0.847) 1.188 7.122 ( 0.000 -3.422 -2.142) 4.037 7.122 ( 0.000 3.422 -2.142) 4.037 7.329 ( 1.893 -1.301 -0.442) 2.340 7.329 ( 1.893 1.301 -0.442) 2.340 7.404 ( -0.332 -0.636 1.313) 1.496 7.404 ( -0.332 0.636 1.313) 1.496 7.505 ( -1.904 -2.462 2.123) 3.768 7.505 ( -1.904 2.462 2.123) 3.768 7.683 ( 1.524 -1.033 -0.487) 1.905 7.683 ( 1.524 1.033 -0.487) 1.905 7.992 ( 0.191 -0.989 1.756) 2.025 7.992 ( 0.191 0.989 1.756) 2.025 8.141 ( -0.767 -0.608 -1.171) 1.526 8.141 ( -0.767 0.608 -1.171) 1.526 8.277 ( 0.014 -2.226 1.200) 2.529 8.277 ( 0.014 2.226 1.200) 2.529 8.402 ( -0.463 -1.342 1.039) 1.759 8.402 ( -0.463 1.342 1.039) 1.759 8.756 ( 0.035 -1.261 -0.539) 1.372 8.756 ( 0.035 1.261 -0.539) 1.372 8.850 ( 0.095 -1.196 -1.579) 1.983 8.850 ( 0.095 1.196 -1.579) 1.983 11.568 ( 1.250 -0.254 1.386) 1.884 11.568 ( 1.250 0.254 1.386) 1.884 11.722 ( -0.785 -0.692 0.438) 1.134 11.722 ( -0.785 0.692 0.438) 1.134 11.948 ( -0.475 -0.421 -0.964) 1.155 11.948 ( -0.475 0.421 -0.964) 1.155 11.995 ( 0.003 -0.371 0.123) 0.391 11.995 ( 0.003 0.371 0.123) 0.391 13.750 ( -0.065 -0.871 2.299) 2.460 13.750 ( -0.065 0.871 2.299) 2.460 13.801 ( 0.062 -1.139 3.156) 3.356 13.801 ( 0.062 1.139 3.156) 3.356 15.580 ( -1.506 -0.734 -0.139) 1.681 15.580 ( -1.506 0.734 -0.139) 1.681 15.649 ( 1.359 -1.294 -0.106) 1.880 15.649 ( 1.359 1.294 -0.106) 1.880 16.920 ( -0.366 -0.160 0.591) 0.714 16.920 ( -0.366 0.160 0.591) 0.714 17.066 ( 0.729 -1.343 -0.710) 1.686 17.066 ( 0.729 1.343 -0.710) 1.686 17.311 ( -0.164 -1.320 -0.468) 1.410 17.311 ( -0.164 1.320 -0.468) 1.410 17.393 ( -0.021 -2.693 0.539) 2.746 17.393 ( -0.021 2.693 0.539) 2.746 17.586 ( 0.013 -1.476 -3.559) 3.853 17.586 ( 0.013 1.476 -3.559) 3.853 17.716 ( 0.229 -1.582 -3.658) 3.992 17.716 ( 0.229 1.582 -3.658) 3.992 18.247 ( -1.492 -1.794 4.639) 5.193 18.247 ( -1.492 1.794 4.639) 5.193 18.423 ( 2.574 -0.827 1.692) 3.189 18.423 ( 2.574 0.827 1.692) 3.189 ======================= Grid point 43 (24/48) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.358 -11.860 14.408) 18.711 0.797 ( 1.358 11.860 14.408) 18.711 0.989 ( -1.458 -13.722 3.519) 14.241 0.989 ( -1.458 13.722 3.519) 14.241 1.398 ( -4.512 -6.013 12.745) 14.797 1.398 ( -4.512 6.013 12.745) 14.797 1.610 ( 1.313 -2.749 -3.962) 4.998 1.610 ( 1.313 2.749 -3.962) 4.998 1.863 ( 1.861 -2.977 -3.723) 5.117 1.863 ( 1.861 2.977 -3.723) 5.117 1.986 ( -0.417 -1.103 -0.007) 1.179 1.986 ( -0.417 1.103 -0.007) 1.179 2.027 ( 1.039 -3.362 0.413) 3.543 2.027 ( 1.039 3.362 0.413) 3.543 2.233 ( -0.651 -0.704 1.411) 1.706 2.233 ( -0.651 0.704 1.411) 1.706 2.364 ( 0.490 -1.348 -3.909) 4.164 2.364 ( 0.490 1.348 -3.909) 4.164 2.441 ( -1.930 -1.648 2.342) 3.453 2.441 ( -1.930 1.648 2.342) 3.453 2.584 ( 0.307 -1.529 1.874) 2.438 2.584 ( 0.307 1.529 1.874) 2.438 2.743 ( -0.246 -3.858 -3.734) 5.375 2.743 ( -0.246 3.858 -3.734) 5.375 2.805 ( 2.167 -2.327 5.335) 6.211 2.805 ( 2.167 2.327 5.335) 6.211 2.935 ( 0.255 -1.732 -2.316) 2.904 2.935 ( 0.255 1.732 -2.316) 2.904 3.091 ( -1.771 -4.388 -1.662) 5.015 3.091 ( -1.771 4.388 -1.662) 5.015 3.180 ( 1.724 -5.445 1.593) 5.930 3.180 ( 1.724 5.445 1.593) 5.930 3.250 ( -0.476 -2.787 2.486) 3.765 3.250 ( -0.476 2.787 2.486) 3.765 3.330 ( -0.308 -1.675 -0.747) 1.860 3.330 ( -0.308 1.675 -0.747) 1.860 3.453 ( 0.158 -2.023 3.575) 4.110 3.453 ( 0.158 2.023 3.575) 4.110 3.548 ( 0.436 -2.377 0.140) 2.421 3.548 ( 0.436 2.377 0.140) 2.421 3.764 ( 1.808 -1.323 -3.806) 4.416 3.764 ( 1.808 1.323 -3.806) 4.416 3.909 ( 1.145 -0.280 -2.792) 3.031 3.909 ( 1.145 0.280 -2.792) 3.031 4.042 ( 0.149 -1.885 0.729) 2.026 4.042 ( 0.149 1.885 0.729) 2.026 4.080 ( -1.106 -2.156 0.200) 2.432 4.080 ( -1.106 2.156 0.200) 2.432 4.310 ( 0.405 -2.562 -1.480) 2.987 4.310 ( 0.405 2.562 -1.480) 2.987 4.419 ( 0.057 -2.416 0.734) 2.526 4.419 ( 0.057 2.416 0.734) 2.526 4.601 ( -0.932 -1.573 -1.390) 2.297 4.601 ( -0.932 1.573 -1.390) 2.297 4.732 ( 0.722 -4.164 -1.418) 4.458 4.732 ( 0.722 4.164 -1.418) 4.458 4.881 ( -0.235 -1.061 0.898) 1.409 4.881 ( -0.235 1.061 0.898) 1.409 4.992 ( -1.693 -1.007 -2.239) 2.982 4.992 ( -1.693 1.007 -2.239) 2.982 5.090 ( -0.328 -1.104 -1.252) 1.701 5.090 ( -0.328 1.104 -1.252) 1.701 5.247 ( 0.299 -0.833 2.583) 2.730 5.247 ( 0.299 0.833 2.583) 2.730 5.257 ( -0.205 -1.741 1.283) 2.173 5.257 ( -0.205 1.741 1.283) 2.173 5.478 ( -0.165 -1.691 2.728) 3.214 5.478 ( -0.165 1.691 2.728) 3.214 5.744 ( 3.134 -2.129 1.514) 4.081 5.744 ( 3.134 2.129 1.514) 4.081 6.038 ( -2.833 -3.252 -3.013) 5.261 6.038 ( -2.833 3.252 -3.013) 5.261 6.236 ( -0.238 -1.806 -6.000) 6.270 6.236 ( -0.238 1.806 -6.000) 6.270 6.370 ( 1.106 -2.419 1.081) 2.871 6.370 ( 1.106 2.419 1.081) 2.871 6.945 ( -0.448 -0.987 0.259) 1.115 6.945 ( -0.448 0.987 0.259) 1.115 7.127 ( 0.405 -3.221 -1.760) 3.693 7.127 ( 0.405 3.221 -1.760) 3.693 7.359 ( -0.046 -2.006 -0.320) 2.032 7.359 ( -0.046 2.006 -0.320) 2.032 7.396 ( 0.103 -0.239 2.340) 2.354 7.396 ( 0.103 0.239 2.340) 2.354 7.473 ( -0.682 -1.850 2.023) 2.825 7.473 ( -0.682 1.850 2.023) 2.825 7.723 ( 1.902 -1.707 -2.174) 3.356 7.723 ( 1.902 1.707 -2.174) 3.356 7.988 ( -0.574 -0.635 1.593) 1.808 7.988 ( -0.574 0.635 1.593) 1.808 8.117 ( -1.256 -0.665 -1.374) 1.976 8.117 ( -1.256 0.665 -1.374) 1.976 8.283 ( 0.513 -2.491 1.432) 2.918 8.283 ( 0.513 2.491 1.432) 2.918 8.392 ( -0.348 -1.507 2.025) 2.548 8.392 ( -0.348 1.507 2.025) 2.548 8.760 ( 0.265 -1.196 -0.428) 1.298 8.760 ( 0.265 1.196 -0.428) 1.298 8.850 ( -0.041 -1.031 -1.813) 2.086 8.850 ( -0.041 1.031 -1.813) 2.086 11.598 ( 1.151 -0.194 0.990) 1.530 11.598 ( 1.151 0.194 0.990) 1.530 11.706 ( -0.435 -1.096 0.619) 1.332 11.706 ( -0.435 1.096 0.619) 1.332 11.942 ( -0.027 -0.577 -0.355) 0.678 11.942 ( -0.027 0.577 -0.355) 0.678 11.988 ( -0.512 -0.203 -0.337) 0.646 11.988 ( -0.512 0.203 -0.337) 0.646 13.723 ( -1.438 -0.173 1.863) 2.360 13.723 ( -1.438 0.173 1.863) 2.360 13.847 ( 3.195 -1.947 3.923) 5.421 13.847 ( 3.195 1.947 3.923) 5.421 15.556 ( -0.594 -0.289 0.073) 0.665 15.556 ( -0.594 0.289 0.073) 0.665 15.674 ( 0.818 -1.192 -0.212) 1.461 15.674 ( 0.818 1.192 -0.212) 1.461 16.913 ( -0.204 -0.289 0.572) 0.673 16.913 ( -0.204 0.289 0.572) 0.673 17.082 ( 0.505 -0.725 -0.874) 1.243 17.082 ( 0.505 0.725 -0.874) 1.243 17.309 ( 0.049 -1.169 -0.299) 1.207 17.309 ( 0.049 1.169 -0.299) 1.207 17.396 ( 0.369 -3.110 0.143) 3.135 17.396 ( 0.369 3.110 0.143) 3.135 17.568 ( -1.677 -1.535 -3.366) 4.062 17.568 ( -1.677 1.535 -3.366) 4.062 17.712 ( -0.547 -1.041 -3.067) 3.285 17.712 ( -0.547 1.041 -3.067) 3.285 18.217 ( -1.032 -3.059 3.589) 4.828 18.217 ( -1.032 3.059 3.589) 4.828 18.496 ( 3.529 -2.591 2.030) 4.826 18.496 ( 3.529 2.591 2.030) 4.826 ======================= Grid point 50 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.559 0.000 18.088) 18.097 0.813 ( 1.166 0.000 21.528) 21.560 1.359 ( 1.913 0.000 9.826) 10.010 1.364 ( -0.416 0.000 -0.803) 0.904 1.453 ( -2.243 0.000 6.157) 6.553 1.504 ( -5.489 0.000 11.095) 12.378 1.581 ( 1.342 0.000 -8.895) 8.995 1.712 ( 0.095 0.000 6.249) 6.250 1.819 ( -0.364 0.000 1.378) 1.426 1.825 ( -3.048 0.000 1.814) 3.547 1.879 ( 1.031 0.000 -6.824) 6.901 1.966 ( 1.594 0.000 -4.669) 4.934 2.043 ( -0.871 0.000 3.870) 3.967 2.076 ( 7.255 0.000 2.257) 7.598 2.224 ( -3.725 0.000 -3.319) 4.989 2.249 ( -2.705 0.000 -3.827) 4.687 2.322 ( 1.869 0.000 0.494) 1.933 2.370 ( -6.041 0.000 -0.393) 6.054 2.420 ( -6.378 0.000 0.752) 6.422 2.491 ( 3.779 0.000 -3.330) 5.037 2.531 ( 2.074 0.000 1.486) 2.551 2.561 ( -3.453 0.000 4.442) 5.626 2.784 ( 2.259 0.000 -1.176) 2.547 2.839 ( 0.405 0.000 -1.923) 1.965 2.851 ( 2.444 0.000 -2.504) 3.499 2.883 ( -1.670 0.000 -2.006) 2.610 2.892 ( 5.903 0.000 2.692) 6.487 2.985 ( -0.420 0.000 -4.423) 4.443 3.074 ( -1.035 0.000 -0.079) 1.038 3.092 ( -1.392 0.000 3.987) 4.223 3.131 ( 2.026 0.000 3.887) 4.384 3.209 ( 2.262 0.000 6.253) 6.650 3.253 ( 2.150 0.000 -4.719) 5.185 3.299 ( 1.379 0.000 2.748) 3.074 3.364 ( -2.539 0.000 3.702) 4.489 3.376 ( 0.665 0.000 4.727) 4.774 3.468 ( -1.144 0.000 3.412) 3.598 3.480 ( 0.319 0.000 2.109) 2.133 3.606 ( -0.625 0.000 -2.916) 2.982 3.634 ( 0.200 0.000 -4.631) 4.635 3.656 ( -2.412 0.000 -6.216) 6.668 3.748 ( -1.392 0.000 -5.827) 5.991 3.810 ( 0.323 0.000 0.034) 0.325 3.915 ( 1.782 0.000 -5.194) 5.491 3.963 ( 1.401 0.000 0.513) 1.492 4.003 ( -1.134 0.000 -3.055) 3.258 4.082 ( -0.971 0.000 3.668) 3.795 4.178 ( 1.201 0.000 0.499) 1.301 4.199 ( 0.073 0.000 3.359) 3.360 4.353 ( 1.360 0.000 0.407) 1.420 4.423 ( -1.579 0.000 3.348) 3.701 4.454 ( 0.457 0.000 -0.291) 0.542 4.485 ( -0.748 0.000 -1.047) 1.286 4.491 ( 0.216 0.000 -4.258) 4.263 4.635 ( -2.958 0.000 -2.822) 4.088 4.758 ( 2.167 0.000 -5.255) 5.684 4.888 ( 1.539 0.000 3.262) 3.606 4.922 ( -0.311 0.000 2.239) 2.261 4.961 ( 1.237 0.000 -1.283) 1.782 4.962 ( -1.880 0.000 0.412) 1.924 5.087 ( 0.248 0.000 0.254) 0.355 5.101 ( 1.017 0.000 -1.606) 1.901 5.218 ( 0.256 0.000 0.595) 0.648 5.242 ( -2.245 0.000 -1.506) 2.703 5.335 ( 1.471 0.000 5.581) 5.771 5.394 ( 1.202 0.000 4.984) 5.127 5.453 ( -1.035 0.000 3.480) 3.631 5.519 ( -1.394 0.000 -0.877) 1.646 5.696 ( -2.130 0.000 -2.621) 3.377 5.851 ( -3.442 0.000 -9.073) 9.704 5.886 ( 1.182 0.000 0.884) 1.476 5.986 ( 1.807 0.000 -2.497) 3.082 6.160 ( 1.903 0.000 4.123) 4.541 6.252 ( 3.835 0.000 -1.638) 4.170 6.341 ( -0.221 0.000 -1.015) 1.039 6.404 ( -2.073 0.000 -2.862) 3.534 6.925 ( -0.907 0.000 -0.357) 0.975 6.939 ( 1.149 0.000 -1.297) 1.732 7.027 ( 0.135 0.000 2.402) 2.406 7.152 ( -0.477 0.000 -3.193) 3.228 7.315 ( -1.488 0.000 1.090) 1.845 7.384 ( 0.907 0.000 -2.757) 2.903 7.389 ( -2.065 0.000 -0.713) 2.185 7.403 ( 0.979 0.000 -0.673) 1.187 7.476 ( 0.954 0.000 4.592) 4.690 7.621 ( -1.203 0.000 1.590) 1.994 7.667 ( -1.128 0.000 0.285) 1.163 7.693 ( 0.558 0.000 -6.629) 6.652 8.037 ( 0.906 0.000 0.016) 0.906 8.051 ( 0.825 0.000 0.382) 0.909 8.055 ( -0.969 0.000 0.266) 1.004 8.066 ( -0.049 0.000 0.076) 0.091 8.287 ( 1.951 0.000 2.237) 2.969 8.340 ( -0.890 0.000 -0.415) 0.982 8.449 ( -0.652 0.000 2.883) 2.955 8.477 ( 0.820 0.000 0.391) 0.908 8.734 ( 1.240 0.000 2.017) 2.367 8.766 ( -1.375 0.000 0.062) 1.377 8.802 ( 0.767 0.000 -2.517) 2.631 8.834 ( -0.353 0.000 -2.563) 2.587 11.597 ( -0.916 0.000 0.122) 0.924 11.605 ( -0.652 0.000 -0.239) 0.695 11.705 ( 1.074 0.000 2.660) 2.869 11.785 ( 0.470 0.000 -1.483) 1.555 11.925 ( 0.354 0.000 0.000) 0.354 11.943 ( 0.529 0.000 -1.028) 1.156 11.968 ( -0.671 0.000 0.244) 0.714 11.977 ( -0.180 0.000 -0.256) 0.313 13.718 ( -1.521 0.000 1.961) 2.482 13.729 ( 0.677 0.000 0.818) 1.062 13.942 ( -0.884 0.000 6.784) 6.841 14.154 ( 5.299 0.000 -3.798) 6.520 15.550 ( 0.983 0.000 -0.008) 0.983 15.556 ( 0.033 0.000 -0.069) 0.077 15.647 ( 0.845 0.000 0.336) 0.910 15.682 ( -1.246 0.000 -0.970) 1.579 16.937 ( -0.927 0.000 0.742) 1.188 16.973 ( -0.637 0.000 -1.161) 1.324 16.975 ( 0.956 0.000 1.310) 1.622 17.034 ( 0.447 0.000 -1.117) 1.203 17.277 ( -0.046 0.000 -0.179) 0.185 17.285 ( 0.426 0.000 -0.947) 1.038 17.400 ( 0.736 0.000 1.918) 2.054 17.433 ( -1.888 0.000 -1.559) 2.449 17.455 ( -0.890 0.000 0.728) 1.150 17.560 ( -2.677 0.000 -2.789) 3.866 17.564 ( 0.543 0.000 0.124) 0.557 17.669 ( 0.667 0.000 -4.983) 5.028 18.229 ( 0.686 0.000 4.334) 4.388 18.303 ( -0.375 0.000 0.149) 0.403 18.518 ( 0.312 0.000 4.978) 4.988 18.663 ( -1.338 0.000 -2.734) 3.043 ======================= Grid point 51 (26/48) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.838 0.000 12.774) 12.802 0.852 ( 3.415 0.000 17.318) 17.652 1.300 ( -12.163 0.000 19.662) 23.120 1.353 ( -7.016 0.000 6.570) 9.612 1.395 ( 2.672 0.000 -9.243) 9.621 1.428 ( 4.722 0.000 7.392) 8.772 1.637 ( -1.122 0.000 2.600) 2.832 1.717 ( -0.902 0.000 -4.439) 4.530 1.748 ( 2.415 0.000 2.889) 3.766 1.807 ( -0.086 0.000 -1.310) 1.313 1.931 ( 2.259 0.000 -8.725) 9.013 1.962 ( -3.435 0.000 -4.021) 5.289 1.999 ( -1.290 0.000 2.946) 3.216 2.102 ( -7.223 0.000 -3.287) 7.936 2.188 ( -3.771 0.000 -0.013) 3.771 2.206 ( 2.843 0.000 1.461) 3.196 2.262 ( 1.553 0.000 2.279) 2.758 2.369 ( 2.862 0.000 3.078) 4.204 2.416 ( 1.703 0.000 -1.391) 2.199 2.515 ( -0.015 0.000 5.197) 5.197 2.530 ( 1.560 0.000 3.769) 4.079 2.574 ( -0.570 0.000 -1.776) 1.866 2.781 ( -1.553 0.000 -0.128) 1.558 2.833 ( -2.943 0.000 -1.700) 3.399 2.883 ( 0.795 0.000 1.669) 1.848 2.888 ( 2.345 0.000 -4.805) 5.347 2.995 ( 0.453 0.000 -1.744) 1.802 3.027 ( 5.543 0.000 -1.393) 5.715 3.041 ( -0.884 0.000 -2.579) 2.726 3.053 ( 0.148 0.000 4.987) 4.989 3.161 ( -0.260 0.000 1.412) 1.436 3.239 ( -0.067 0.000 0.119) 0.137 3.298 ( -2.414 0.000 3.129) 3.952 3.309 ( 2.477 0.000 -4.638) 5.258 3.345 ( 1.515 0.000 4.462) 4.713 3.367 ( -0.692 0.000 6.632) 6.668 3.470 ( 1.099 0.000 3.874) 4.027 3.477 ( -0.548 0.000 3.198) 3.244 3.561 ( -3.409 0.000 -5.819) 6.744 3.619 ( -1.809 0.000 -3.827) 4.233 3.642 ( 1.716 0.000 -0.692) 1.851 3.725 ( -0.655 0.000 -2.924) 2.996 3.815 ( 0.154 0.000 -2.329) 2.334 3.916 ( -1.243 0.000 -6.228) 6.351 3.977 ( -0.128 0.000 -0.011) 0.129 3.996 ( 0.266 0.000 -4.369) 4.377 4.049 ( -1.630 0.000 3.606) 3.957 4.197 ( 0.194 0.000 0.029) 0.196 4.236 ( 2.798 0.000 3.966) 4.853 4.341 ( -2.869 0.000 2.062) 3.533 4.394 ( -0.101 0.000 6.379) 6.380 4.467 ( 0.884 0.000 -1.646) 1.869 4.493 ( 0.988 0.000 -3.061) 3.216 4.509 ( 1.043 0.000 -2.829) 3.015 4.590 ( -0.822 0.000 -5.408) 5.470 4.781 ( -0.994 0.000 -4.759) 4.862 4.900 ( -1.002 0.000 0.523) 1.130 4.913 ( 0.583 0.000 2.484) 2.551 4.947 ( 1.200 0.000 0.911) 1.507 4.997 ( 1.940 0.000 -1.569) 2.495 5.105 ( 1.309 0.000 -0.219) 1.327 5.141 ( 1.872 0.000 -1.777) 2.581 5.188 ( -2.172 0.000 -0.765) 2.302 5.210 ( -0.717 0.000 1.707) 1.851 5.389 ( 3.406 0.000 6.006) 6.905 5.426 ( -1.768 0.000 4.569) 4.899 5.439 ( 1.560 0.000 4.967) 5.206 5.507 ( 1.065 0.000 0.840) 1.356 5.655 ( -1.544 0.000 0.504) 1.624 5.774 ( -2.817 0.000 -8.902) 9.338 5.889 ( -0.698 0.000 -3.054) 3.133 6.030 ( 1.524 0.000 -0.500) 1.604 6.198 ( 1.337 0.000 4.366) 4.567 6.305 ( -0.237 0.000 -8.176) 8.180 6.314 ( -2.111 0.000 -1.406) 2.536 6.369 ( 0.300 0.000 -0.589) 0.662 6.921 ( 0.606 0.000 -0.411) 0.732 6.970 ( 1.186 0.000 -0.584) 1.322 7.025 ( -0.358 0.000 2.525) 2.550 7.136 ( -0.644 0.000 -3.463) 3.522 7.285 ( -1.031 0.000 0.834) 1.326 7.338 ( -1.400 0.000 0.336) 1.440 7.406 ( 0.333 0.000 -2.202) 2.227 7.421 ( 0.505 0.000 0.353) 0.616 7.487 ( -0.149 0.000 4.378) 4.381 7.596 ( -0.682 0.000 1.728) 1.858 7.633 ( -1.140 0.000 0.025) 1.140 7.710 ( 0.250 0.000 -4.842) 4.849 8.030 ( -0.647 0.000 -0.081) 0.652 8.033 ( -0.479 0.000 -0.920) 1.037 8.095 ( 2.334 0.000 0.819) 2.473 8.097 ( 1.998 0.000 1.061) 2.262 8.321 ( 0.693 0.000 2.404) 2.502 8.326 ( -0.332 0.000 -0.466) 0.572 8.430 ( -0.737 0.000 1.153) 1.369 8.485 ( -0.140 0.000 0.185) 0.232 8.734 ( -1.530 0.000 0.179) 1.541 8.759 ( 1.096 0.000 1.929) 2.219 8.795 ( -1.036 0.000 -3.141) 3.308 8.840 ( 0.643 0.000 -1.911) 2.016 11.577 ( -0.688 0.000 0.908) 1.140 11.586 ( -0.974 0.000 0.195) 0.993 11.726 ( 0.669 0.000 1.758) 1.881 11.777 ( -0.858 0.000 -0.802) 1.175 11.922 ( -0.471 0.000 -0.552) 0.726 11.941 ( -0.552 0.000 -1.124) 1.252 11.979 ( 1.336 0.000 0.050) 1.337 11.987 ( 0.884 0.000 0.371) 0.959 13.707 ( 0.391 0.000 2.057) 2.094 13.756 ( 1.850 0.000 1.684) 2.501 13.900 ( -2.819 0.000 4.901) 5.654 14.148 ( -4.931 0.000 -2.773) 5.657 15.557 ( -0.089 0.000 -0.637) 0.643 15.581 ( 1.824 0.000 0.305) 1.849 15.645 ( -2.012 0.000 -1.414) 2.459 15.658 ( 0.135 0.000 0.826) 0.837 16.920 ( -0.548 0.000 0.790) 0.961 16.954 ( -0.855 0.000 -0.961) 1.287 16.996 ( 0.925 0.000 1.443) 1.714 17.050 ( 0.859 0.000 -1.349) 1.599 17.274 ( -0.258 0.000 -0.735) 0.779 17.288 ( -0.174 0.000 -0.665) 0.688 17.418 ( 0.451 0.000 3.268) 3.299 17.429 ( 1.361 0.000 -1.865) 2.309 17.451 ( 0.866 0.000 0.320) 0.923 17.539 ( 0.914 0.000 -2.087) 2.278 17.564 ( -0.608 0.000 -0.365) 0.709 17.675 ( -0.059 0.000 -5.353) 5.353 18.267 ( 2.720 0.000 4.043) 4.873 18.313 ( 1.365 0.000 0.438) 1.433 18.499 ( -1.955 0.000 4.401) 4.815 18.570 ( -6.351 0.000 0.382) 6.363 ======================= Grid point 52 (27/48) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 4.317 0.000 10.702) 11.539 0.929 ( -2.420 0.000 10.794) 11.062 1.091 ( -0.039 0.000 12.797) 12.797 1.187 ( -7.241 0.000 6.217) 9.544 1.466 ( 2.939 0.000 -7.576) 8.126 1.492 ( -3.375 0.000 7.815) 8.512 1.549 ( 0.824 0.000 -0.153) 0.838 1.778 ( 1.830 0.000 -6.049) 6.320 1.784 ( 1.211 0.000 0.878) 1.496 1.826 ( 0.457 0.000 0.093) 0.466 1.900 ( -1.288 0.000 -6.221) 6.353 1.916 ( -4.791 0.000 -0.178) 4.794 1.968 ( 2.349 0.000 -3.686) 4.371 2.073 ( 3.987 0.000 -1.024) 4.117 2.093 ( -3.071 0.000 1.897) 3.610 2.273 ( -0.749 0.000 -0.326) 0.817 2.321 ( 5.070 0.000 3.102) 5.944 2.427 ( 1.304 0.000 1.370) 1.891 2.436 ( 2.754 0.000 2.338) 3.612 2.528 ( -1.746 0.000 -0.374) 1.786 2.565 ( 3.277 0.000 0.629) 3.337 2.577 ( 1.678 0.000 4.528) 4.829 2.739 ( -5.197 0.000 -1.977) 5.560 2.749 ( -2.186 0.000 1.343) 2.565 2.871 ( -2.051 0.000 5.380) 5.757 2.909 ( 0.250 0.000 0.638) 0.685 2.962 ( -0.783 0.000 -3.302) 3.393 3.024 ( -0.871 0.000 0.044) 0.873 3.067 ( 0.022 0.000 1.925) 1.926 3.118 ( -0.491 0.000 -0.896) 1.021 3.172 ( -5.390 0.000 3.600) 6.482 3.178 ( 2.087 0.000 -3.753) 4.294 3.254 ( -0.277 0.000 2.990) 3.003 3.336 ( -0.304 0.000 1.850) 1.875 3.389 ( 3.003 0.000 -0.461) 3.038 3.403 ( 2.347 0.000 -1.489) 2.779 3.465 ( -0.510 0.000 4.003) 4.035 3.490 ( 0.751 0.000 4.729) 4.788 3.511 ( -1.170 0.000 -2.031) 2.343 3.577 ( -1.042 0.000 -4.340) 4.463 3.691 ( 2.627 0.000 1.008) 2.814 3.711 ( -0.618 0.000 1.081) 1.246 3.813 ( -0.433 0.000 -4.690) 4.710 3.874 ( -2.717 0.000 -6.707) 7.237 3.962 ( -1.005 0.000 -1.935) 2.180 4.004 ( 0.460 0.000 -5.386) 5.406 4.037 ( 0.448 0.000 4.510) 4.532 4.190 ( -0.566 0.000 -0.777) 0.961 4.280 ( -1.998 0.000 2.039) 2.854 4.295 ( 2.371 0.000 2.412) 3.382 4.421 ( 2.452 0.000 8.569) 8.913 4.464 ( -1.528 0.000 1.488) 2.133 4.506 ( 0.073 0.000 -2.473) 2.474 4.539 ( 1.564 0.000 -6.435) 6.622 4.594 ( 0.942 0.000 -5.841) 5.917 4.735 ( -2.418 0.000 -5.038) 5.588 4.884 ( -0.458 0.000 0.355) 0.580 4.920 ( 0.047 0.000 1.509) 1.510 4.981 ( 0.812 0.000 1.327) 1.556 5.022 ( 0.132 0.000 -2.400) 2.403 5.124 ( 0.099 0.000 0.414) 0.426 5.152 ( 0.428 0.000 -1.387) 1.452 5.196 ( 1.929 0.000 -0.761) 2.074 5.196 ( -0.519 0.000 1.008) 1.134 5.380 ( -2.291 0.000 5.667) 6.112 5.432 ( -1.332 0.000 2.339) 2.691 5.462 ( 3.013 0.000 6.292) 6.976 5.557 ( 1.997 0.000 1.878) 2.741 5.652 ( 1.792 0.000 6.617) 6.856 5.743 ( -0.074 0.000 -6.373) 6.373 5.865 ( -1.367 0.000 -5.708) 5.869 6.048 ( 0.542 0.000 -0.460) 0.711 6.197 ( -1.820 0.000 -0.312) 1.846 6.254 ( -3.315 0.000 -10.059) 10.591 6.283 ( -0.005 0.000 1.772) 1.772 6.405 ( 1.848 0.000 -2.806) 3.359 6.945 ( 1.404 0.000 0.203) 1.419 6.974 ( -0.731 0.000 0.359) 0.814 7.014 ( -0.569 0.000 2.422) 2.488 7.133 ( 0.231 0.000 -4.112) 4.118 7.280 ( 0.527 0.000 1.067) 1.190 7.332 ( 0.478 0.000 0.268) 0.548 7.406 ( 0.024 0.000 -1.337) 1.337 7.421 ( -0.395 0.000 1.154) 1.220 7.471 ( -1.117 0.000 2.524) 2.760 7.600 ( 0.811 0.000 3.247) 3.347 7.627 ( 0.337 0.000 -1.760) 1.792 7.704 ( -0.539 0.000 -2.928) 2.977 8.021 ( -0.240 0.000 -0.760) 0.797 8.025 ( -0.394 0.000 -0.812) 0.903 8.130 ( 0.913 0.000 1.583) 1.827 8.141 ( 1.672 0.000 2.010) 2.615 8.306 ( -1.803 0.000 3.299) 3.759 8.328 ( 0.501 0.000 -0.171) 0.529 8.430 ( 0.576 0.000 0.530) 0.783 8.473 ( -0.921 0.000 -0.291) 0.966 8.708 ( -0.881 0.000 0.374) 0.957 8.773 ( -0.866 0.000 -3.471) 3.578 8.780 ( 0.845 0.000 1.670) 1.871 8.849 ( 0.222 0.000 -1.746) 1.760 11.572 ( 0.210 0.000 0.972) 0.994 11.573 ( -0.003 0.000 0.678) 0.678 11.729 ( -0.387 0.000 1.309) 1.365 11.759 ( -0.776 0.000 -0.034) 0.777 11.912 ( -0.421 0.000 -0.439) 0.608 11.931 ( -0.344 0.000 -0.903) 0.966 12.003 ( 0.499 0.000 0.418) 0.651 12.005 ( 0.898 0.000 -0.263) 0.936 13.735 ( 2.338 0.000 2.562) 3.469 13.793 ( 0.371 0.000 2.439) 2.467 13.848 ( -0.754 0.000 3.442) 3.523 14.010 ( -7.002 0.000 1.049) 7.080 15.557 ( 0.256 0.000 -0.484) 0.548 15.590 ( -1.730 0.000 0.053) 1.731 15.635 ( 1.854 0.000 -1.022) 2.117 15.651 ( -0.746 0.000 0.639) 0.982 16.914 ( -0.023 0.000 0.385) 0.386 16.943 ( -0.072 0.000 -0.969) 0.972 17.007 ( 0.001 0.000 1.754) 1.754 17.063 ( 0.313 0.000 -1.120) 1.163 17.269 ( -0.072 0.000 -0.842) 0.845 17.279 ( -0.508 0.000 -0.768) 0.921 17.418 ( -0.285 0.000 2.876) 2.890 17.470 ( 2.290 0.000 -1.168) 2.571 17.483 ( 1.676 0.000 1.170) 2.044 17.541 ( -1.401 0.000 -0.933) 1.683 17.581 ( 2.324 0.000 -5.154) 5.654 17.667 ( -0.655 0.000 -6.285) 6.319 18.341 ( 3.998 0.000 3.769) 5.495 18.358 ( 2.770 0.000 1.338) 3.076 18.436 ( -5.499 0.000 2.778) 6.161 18.444 ( -3.078 0.000 2.905) 4.232 ======================= Grid point 53 (28/48) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -3.949 0.000 16.118) 16.594 0.872 ( -5.035 0.000 15.302) 16.110 1.198 ( 8.158 0.000 6.437) 10.392 1.253 ( 8.686 0.000 2.744) 9.109 1.418 ( -1.214 0.000 1.803) 2.173 1.512 ( 2.144 0.000 -6.272) 6.629 1.567 ( -0.757 0.000 1.502) 1.682 1.784 ( -2.552 0.000 5.676) 6.223 1.807 ( -0.024 0.000 -6.142) 6.142 1.810 ( 0.723 0.000 1.200) 1.401 1.826 ( -0.093 0.000 -3.557) 3.559 1.930 ( 2.296 0.000 -4.584) 5.127 1.997 ( -3.825 0.000 -2.192) 4.409 2.092 ( 4.191 0.000 -0.931) 4.294 2.194 ( 4.842 0.000 1.999) 5.238 2.209 ( -2.149 0.000 -1.267) 2.495 2.403 ( -2.576 0.000 -3.353) 4.228 2.456 ( 7.047 0.000 4.730) 8.487 2.470 ( -3.781 0.000 -0.988) 3.908 2.522 ( 3.505 0.000 -0.461) 3.535 2.575 ( -2.894 0.000 -0.187) 2.900 2.631 ( 0.254 0.000 1.578) 1.598 2.678 ( -1.515 0.000 -0.077) 1.517 2.718 ( 4.463 0.000 4.184) 6.118 2.810 ( -3.023 0.000 1.734) 3.485 2.919 ( 1.010 0.000 2.415) 2.618 2.959 ( -0.592 0.000 1.346) 1.471 2.979 ( -2.811 0.000 -0.330) 2.830 3.033 ( -4.689 0.000 8.320) 9.550 3.112 ( -1.374 0.000 0.682) 1.533 3.112 ( 2.268 0.000 -3.031) 3.785 3.170 ( 0.188 0.000 -5.218) 5.221 3.261 ( -0.443 0.000 2.526) 2.564 3.264 ( -4.648 0.000 6.711) 8.163 3.447 ( 1.321 0.000 -3.083) 3.354 3.447 ( 0.389 0.000 -0.964) 1.039 3.459 ( 0.023 0.000 2.758) 2.758 3.483 ( -1.830 0.000 3.389) 3.852 3.532 ( 3.996 0.000 0.590) 4.039 3.593 ( 1.878 0.000 -3.504) 3.975 3.722 ( 1.912 0.000 2.739) 3.340 3.738 ( 0.736 0.000 -1.301) 1.495 3.799 ( -0.629 0.000 -5.613) 5.649 3.811 ( -1.900 0.000 -5.021) 5.369 3.943 ( -0.848 0.000 -1.827) 2.015 4.016 ( 0.762 0.000 -5.338) 5.392 4.058 ( 1.340 0.000 4.010) 4.228 4.176 ( -0.711 0.000 0.112) 0.719 4.272 ( 1.050 0.000 0.102) 1.055 4.312 ( -1.513 0.000 1.660) 2.246 4.425 ( -1.021 0.000 1.118) 1.514 4.481 ( 2.535 0.000 9.244) 9.586 4.493 ( -1.241 0.000 -3.686) 3.889 4.552 ( -0.686 0.000 -6.948) 6.982 4.626 ( 2.164 0.000 -4.019) 4.564 4.703 ( -0.240 0.000 -5.879) 5.883 4.884 ( 0.489 0.000 0.872) 1.000 4.912 ( -0.773 0.000 2.704) 2.812 4.980 ( -0.369 0.000 2.063) 2.096 4.992 ( -2.851 0.000 -2.674) 3.909 5.115 ( -0.730 0.000 1.261) 1.457 5.163 ( -0.275 0.000 -1.401) 1.428 5.185 ( -0.340 0.000 -0.311) 0.461 5.238 ( 1.893 0.000 -0.784) 2.049 5.340 ( -1.403 0.000 6.043) 6.203 5.407 ( -0.842 0.000 2.514) 2.651 5.498 ( 0.138 0.000 4.853) 4.855 5.574 ( -0.167 0.000 0.253) 0.303 5.719 ( 3.533 0.000 8.668) 9.360 5.772 ( 2.764 0.000 -3.179) 4.213 5.832 ( -1.613 0.000 -6.516) 6.712 6.062 ( 0.505 0.000 -2.168) 2.226 6.149 ( -1.923 0.000 -1.333) 2.340 6.179 ( -3.231 0.000 -9.424) 9.962 6.302 ( 1.324 0.000 1.851) 2.276 6.432 ( 0.703 0.000 -3.377) 3.449 6.952 ( -1.100 0.000 -0.089) 1.104 6.968 ( 0.319 0.000 0.829) 0.888 7.006 ( 0.036 0.000 2.050) 2.050 7.139 ( 0.393 0.000 -3.976) 3.995 7.303 ( 1.504 0.000 1.265) 1.966 7.344 ( 0.426 0.000 -1.301) 1.369 7.408 ( -0.825 0.000 0.363) 0.901 7.415 ( 0.771 0.000 -0.125) 0.781 7.452 ( -0.438 0.000 2.794) 2.828 7.621 ( 0.981 0.000 3.258) 3.403 7.635 ( 0.362 0.000 -4.768) 4.782 7.703 ( 0.603 0.000 -0.587) 0.841 8.016 ( -0.375 0.000 -0.542) 0.659 8.019 ( 0.098 0.000 -0.923) 0.928 8.128 ( -1.174 0.000 1.402) 1.829 8.150 ( -1.097 0.000 2.239) 2.493 8.269 ( -1.258 0.000 2.868) 3.131 8.347 ( 1.059 0.000 0.643) 1.240 8.444 ( 0.620 0.000 2.004) 2.098 8.453 ( -0.639 0.000 -0.775) 1.005 8.699 ( 0.051 0.000 0.771) 0.773 8.765 ( 0.148 0.000 -3.354) 3.357 8.792 ( 0.223 0.000 1.281) 1.300 8.850 ( -0.134 0.000 -1.997) 2.002 11.585 ( 0.953 0.000 0.423) 1.043 11.588 ( 1.194 0.000 0.378) 1.252 11.713 ( -1.045 0.000 1.746) 2.035 11.747 ( -0.226 0.000 0.514) 0.562 11.907 ( 0.019 0.000 -0.086) 0.088 11.928 ( 0.066 0.000 -0.737) 0.740 12.004 ( -0.384 0.000 0.079) 0.392 12.011 ( -0.376 0.000 -0.308) 0.486 13.759 ( -1.998 0.000 1.041) 2.253 13.808 ( 4.152 0.000 2.997) 5.121 13.880 ( -4.425 0.000 2.738) 5.204 13.885 ( 2.679 0.000 5.386) 6.015 15.556 ( -1.261 0.000 -0.286) 1.293 15.567 ( 0.471 0.000 0.149) 0.494 15.631 ( -0.901 0.000 -0.181) 0.918 15.674 ( 1.545 0.000 -0.488) 1.620 16.920 ( 0.573 0.000 0.047) 0.575 16.951 ( 0.742 0.000 -1.125) 1.347 16.997 ( -0.885 0.000 1.931) 2.124 17.060 ( -0.638 0.000 -0.757) 0.990 17.271 ( -0.137 0.000 -1.085) 1.093 17.272 ( 0.267 0.000 -0.447) 0.520 17.408 ( -0.629 0.000 2.217) 2.304 17.508 ( -0.984 0.000 -0.533) 1.119 17.508 ( 0.631 0.000 -0.443) 0.771 17.518 ( 0.939 0.000 0.888) 1.292 17.614 ( 0.917 0.000 -6.825) 6.886 17.655 ( -0.319 0.000 -7.146) 7.153 18.312 ( -4.258 0.000 3.688) 5.633 18.379 ( -2.871 0.000 1.338) 3.168 18.424 ( 3.251 0.000 2.817) 4.301 18.472 ( 6.397 0.000 2.678) 6.935 ======================= Grid point 54 (29/48) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 1.076 0.000 16.332) 16.367 0.801 ( -0.839 0.000 18.475) 18.494 1.318 ( 2.326 0.000 11.562) 11.794 1.362 ( 1.749 0.000 3.593) 3.997 1.476 ( 2.204 0.000 -7.067) 7.403 1.545 ( 1.415 0.000 6.377) 6.532 1.553 ( 0.418 0.000 -0.890) 0.984 1.746 ( -1.910 0.000 9.750) 9.936 1.813 ( 0.167 0.000 2.058) 2.065 1.819 ( 1.389 0.000 -0.358) 1.435 1.871 ( 4.291 0.000 -10.338) 11.193 1.891 ( -2.495 0.000 -2.800) 3.750 2.017 ( 2.940 0.000 0.529) 2.987 2.065 ( -3.379 0.000 0.721) 3.455 2.241 ( 1.797 0.000 -1.749) 2.508 2.265 ( 1.968 0.000 0.818) 2.131 2.336 ( -3.619 0.000 -5.115) 6.266 2.424 ( 0.586 0.000 -7.482) 7.505 2.494 ( -6.305 0.000 0.453) 6.322 2.528 ( -0.943 0.000 3.764) 3.880 2.554 ( -2.043 0.000 1.521) 2.547 2.609 ( 2.352 0.000 1.131) 2.610 2.710 ( 2.092 0.000 0.458) 2.142 2.777 ( 0.554 0.000 1.108) 1.239 2.824 ( 3.316 0.000 1.595) 3.679 2.883 ( -4.018 0.000 0.954) 4.130 2.909 ( -2.068 0.000 -1.174) 2.378 2.966 ( 2.234 0.000 -1.364) 2.618 3.035 ( 4.850 0.000 3.833) 6.182 3.081 ( -1.129 0.000 -1.257) 1.689 3.146 ( -2.280 0.000 4.144) 4.730 3.180 ( 2.307 0.000 2.504) 3.405 3.214 ( 0.354 0.000 4.030) 4.046 3.271 ( 1.321 0.000 -0.659) 1.476 3.402 ( -3.377 0.000 4.736) 5.817 3.418 ( -2.364 0.000 1.557) 2.830 3.468 ( 0.641 0.000 3.165) 3.229 3.479 ( 0.324 0.000 -1.285) 1.325 3.611 ( 1.820 0.000 -3.567) 4.005 3.624 ( 0.808 0.000 -2.610) 2.732 3.691 ( -2.467 0.000 -5.876) 6.372 3.762 ( 0.749 0.000 -2.923) 3.018 3.798 ( 0.649 0.000 -2.468) 2.552 3.849 ( 3.666 0.000 -1.871) 4.116 3.935 ( 0.596 0.000 -0.653) 0.884 4.027 ( -0.302 0.000 -4.040) 4.051 4.083 ( 0.760 0.000 3.928) 4.001 4.164 ( -0.122 0.000 0.569) 0.582 4.243 ( -3.753 0.000 2.513) 4.517 4.311 ( 2.287 0.000 -0.085) 2.288 4.433 ( 1.163 0.000 0.560) 1.291 4.456 ( -1.884 0.000 -2.029) 2.769 4.506 ( -0.372 0.000 5.608) 5.620 4.517 ( -2.046 0.000 -6.336) 6.658 4.668 ( 0.747 0.000 -2.733) 2.833 4.720 ( 1.450 0.000 -5.975) 6.148 4.885 ( -1.562 0.000 3.775) 4.086 4.906 ( 1.445 0.000 1.780) 2.293 4.946 ( -0.343 0.000 -2.295) 2.321 4.977 ( 0.036 0.000 1.706) 1.706 5.095 ( -0.926 0.000 1.108) 1.444 5.128 ( -2.611 0.000 -1.538) 3.031 5.196 ( 1.300 0.000 0.244) 1.323 5.264 ( 0.289 0.000 -1.362) 1.393 5.323 ( -0.197 0.000 5.778) 5.781 5.394 ( -0.529 0.000 2.554) 2.609 5.479 ( -1.424 0.000 3.402) 3.688 5.554 ( -1.596 0.000 -0.309) 1.626 5.741 ( -1.761 0.000 -1.904) 2.594 5.840 ( 2.618 0.000 2.619) 3.704 5.845 ( 3.406 0.000 -1.779) 3.843 6.021 ( -4.061 0.000 -10.503) 11.261 6.132 ( 0.416 0.000 1.020) 1.102 6.175 ( 2.808 0.000 -0.545) 2.860 6.329 ( 1.084 0.000 0.410) 1.159 6.433 ( -0.638 0.000 -3.132) 3.196 6.933 ( -0.497 0.000 -1.088) 1.196 6.952 ( -1.401 0.000 0.469) 1.478 7.018 ( 0.714 0.000 2.098) 2.216 7.150 ( 0.527 0.000 -3.528) 3.567 7.329 ( 0.500 0.000 1.440) 1.524 7.355 ( 0.929 0.000 -2.337) 2.515 7.393 ( -0.286 0.000 -1.145) 1.180 7.424 ( -0.386 0.000 -0.435) 0.582 7.456 ( 0.721 0.000 4.129) 4.191 7.634 ( 0.069 0.000 2.415) 2.416 7.649 ( 1.169 0.000 -4.157) 4.318 7.711 ( -0.421 0.000 -2.741) 2.773 8.015 ( 0.484 0.000 0.156) 0.508 8.027 ( 0.733 0.000 -0.817) 1.097 8.091 ( -1.838 0.000 0.624) 1.941 8.104 ( -2.718 0.000 1.771) 3.244 8.260 ( 0.406 0.000 2.979) 3.007 8.356 ( -0.340 0.000 0.284) 0.443 8.453 ( 0.165 0.000 3.132) 3.136 8.456 ( 0.885 0.000 -0.162) 0.900 8.710 ( 0.948 0.000 1.532) 1.802 8.778 ( 1.078 0.000 -2.915) 3.108 8.788 ( -0.634 0.000 0.638) 0.900 8.844 ( -0.424 0.000 -2.355) 2.393 11.604 ( 0.446 0.000 -0.436) 0.623 11.608 ( 0.431 0.000 -0.378) 0.573 11.695 ( -0.337 0.000 2.912) 2.931 11.759 ( 1.396 0.000 0.122) 1.401 11.913 ( 0.528 0.000 0.188) 0.561 11.933 ( 0.386 0.000 -0.761) 0.853 11.990 ( -0.828 0.000 -0.339) 0.895 11.992 ( -1.263 0.000 -0.110) 1.268 13.729 ( -0.741 0.000 0.568) 0.934 13.771 ( -3.481 0.000 1.922) 3.976 13.933 ( 1.561 0.000 6.905) 7.079 13.976 ( 9.161 0.000 2.636) 9.533 15.541 ( -0.146 0.000 -0.109) 0.182 15.565 ( -0.670 0.000 0.604) 0.902 15.628 ( 0.666 0.000 -0.475) 0.818 15.693 ( 0.197 0.000 -0.644) 0.674 16.937 ( 0.906 0.000 -0.168) 0.921 16.969 ( 0.818 0.000 -1.360) 1.587 16.975 ( -0.996 0.000 2.013) 2.246 17.041 ( -0.957 0.000 -0.675) 1.171 17.275 ( 0.400 0.000 -1.171) 1.237 17.277 ( 0.111 0.000 0.002) 0.111 17.396 ( -0.323 0.000 1.629) 1.661 17.479 ( -1.325 0.000 0.042) 1.325 17.485 ( -2.375 0.000 -1.617) 2.873 17.545 ( 1.209 0.000 0.676) 1.385 17.618 ( -1.646 0.000 -6.627) 6.828 17.652 ( 0.617 0.000 -5.495) 5.529 18.243 ( -2.071 0.000 4.260) 4.737 18.327 ( -1.887 0.000 0.462) 1.942 18.487 ( 2.427 0.000 4.232) 4.878 18.610 ( 5.675 0.000 -0.616) 5.709 ======================= Grid point 55 (30/48) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.759 5.879 15.808) 16.883 0.927 ( 1.351 7.607 16.543) 18.258 1.220 ( -0.752 -7.734 2.581) 8.188 1.285 ( 1.382 -7.343 10.056) 12.528 1.469 ( -2.630 -1.121 4.445) 5.285 1.564 ( -0.236 1.123 5.182) 5.307 1.599 ( -3.142 -0.062 2.650) 4.111 1.689 ( -0.863 1.556 -1.018) 2.051 1.747 ( -0.306 -2.458 -2.994) 3.886 1.823 ( -0.345 -0.304 -0.747) 0.877 1.945 ( 2.563 1.971 -2.001) 3.802 1.985 ( 0.145 2.328 -3.707) 4.380 2.066 ( 0.047 1.718 3.471) 3.873 2.109 ( 5.926 2.280 2.093) 6.685 2.180 ( -2.157 -2.591 -2.689) 4.313 2.258 ( -3.427 -0.669 -3.836) 5.187 2.324 ( 1.205 1.497 1.978) 2.758 2.374 ( -2.345 -2.119 -0.862) 3.276 2.404 ( -4.144 1.267 1.745) 4.671 2.502 ( -0.194 1.559 1.002) 1.863 2.561 ( -0.780 1.011 3.810) 4.018 2.572 ( -0.422 1.066 0.389) 1.210 2.745 ( 1.271 -6.335 -0.178) 6.464 2.765 ( 1.382 -2.809 -5.826) 6.614 2.794 ( -0.291 -1.100 0.879) 1.438 2.895 ( 1.597 -1.309 -0.889) 2.248 2.928 ( -0.349 -1.497 -3.160) 3.514 2.972 ( 0.886 -0.890 -3.304) 3.534 3.066 ( 2.770 0.987 4.602) 5.461 3.079 ( 0.376 2.995 0.461) 3.053 3.136 ( 1.681 -2.726 3.615) 4.829 3.214 ( -0.654 1.674 2.653) 3.205 3.240 ( 0.068 0.667 -1.275) 1.441 3.319 ( -0.791 -0.976 4.543) 4.713 3.367 ( 1.508 3.237 7.034) 7.889 3.437 ( -0.398 2.958 5.373) 6.147 3.462 ( -0.174 -1.263 0.927) 1.576 3.504 ( -0.754 -3.120 -3.806) 4.979 3.525 ( -0.639 2.669 0.517) 2.793 3.635 ( -1.219 -1.280 -0.949) 2.006 3.714 ( 1.298 -0.069 -5.715) 5.861 3.729 ( -0.103 -1.677 -5.911) 6.145 3.799 ( 0.509 0.231 -3.518) 3.562 3.863 ( 0.525 -2.737 -4.574) 5.356 4.002 ( 0.607 1.637 -0.705) 1.883 4.014 ( -0.260 2.796 0.049) 2.809 4.094 ( -0.386 -2.991 0.965) 3.167 4.122 ( -0.750 0.487 3.062) 3.190 4.248 ( 0.705 2.209 1.483) 2.752 4.347 ( 1.180 -1.158 0.276) 1.676 4.417 ( -0.171 0.009 3.356) 3.360 4.434 ( 0.082 -1.215 -5.704) 5.833 4.487 ( -0.870 0.196 -4.158) 4.253 4.508 ( -1.804 0.369 -1.486) 2.366 4.672 ( -1.411 3.870 0.550) 4.156 4.792 ( 1.432 2.336 -3.555) 4.488 4.863 ( 1.415 -2.019 2.340) 3.399 4.924 ( -0.347 -1.139 1.056) 1.592 4.940 ( -0.623 -0.261 -0.369) 0.770 4.964 ( -0.017 -0.352 -0.333) 0.485 5.083 ( 0.796 -0.066 -0.137) 0.811 5.101 ( 0.947 -0.338 -1.294) 1.639 5.220 ( -0.691 0.621 0.961) 1.336 5.249 ( -1.583 0.208 -1.075) 1.925 5.339 ( 1.469 0.357 5.620) 5.819 5.373 ( 0.774 -1.311 5.433) 5.642 5.473 ( -0.409 1.350 2.439) 2.817 5.517 ( -1.298 -0.402 -0.191) 1.372 5.709 ( -2.626 1.209 -2.608) 3.894 5.798 ( -3.176 -3.028 -4.887) 6.568 5.928 ( 1.607 2.139 -2.427) 3.612 5.981 ( 2.236 -0.567 -2.669) 3.528 6.170 ( 1.511 0.962 3.137) 3.612 6.231 ( 2.856 -1.627 -0.765) 3.374 6.352 ( -0.212 0.905 -1.386) 1.669 6.396 ( -1.649 -0.803 -2.549) 3.141 6.921 ( -0.085 0.339 0.203) 0.404 6.948 ( -0.158 -0.014 -0.332) 0.368 7.051 ( 0.355 2.037 0.093) 2.070 7.133 ( -0.299 -1.585 -3.012) 3.417 7.321 ( -1.402 0.612 0.890) 1.770 7.372 ( -2.453 -1.341 -0.221) 2.805 7.388 ( 1.333 0.210 -2.213) 2.592 7.400 ( 0.939 -0.299 -1.094) 1.473 7.500 ( 1.014 2.156 4.657) 5.231 7.602 ( -0.461 -1.863 2.528) 3.174 7.669 ( -1.081 0.464 -0.796) 1.420 7.695 ( 0.610 0.020 -5.031) 5.068 8.012 ( -0.796 -1.672 0.776) 2.008 8.024 ( 0.571 -1.502 0.933) 1.858 8.067 ( 0.379 1.089 -0.343) 1.203 8.086 ( 0.042 0.530 -0.690) 0.872 8.290 ( 1.070 0.315 1.630) 1.975 8.324 ( -0.791 -1.170 -0.126) 1.418 8.446 ( 0.103 0.220 3.306) 3.315 8.480 ( 0.268 -0.340 1.746) 1.798 8.740 ( 1.028 0.642 0.787) 1.445 8.764 ( -0.892 -0.117 -0.225) 0.927 8.797 ( 0.402 -0.265 -2.439) 2.486 8.827 ( -0.246 -0.781 -2.485) 2.616 11.598 ( -0.853 0.205 0.307) 0.929 11.608 ( -0.683 0.074 -0.130) 0.700 11.711 ( 0.851 0.675 2.009) 2.284 11.763 ( 0.580 -1.617 -0.353) 1.754 11.934 ( 0.422 0.618 -0.336) 0.820 11.946 ( 0.441 0.152 -0.890) 1.005 11.967 ( -0.556 -0.127 0.101) 0.579 11.974 ( -0.221 -0.301 -0.262) 0.456 13.723 ( -1.228 0.431 1.785) 2.209 13.732 ( 0.391 0.184 0.928) 1.024 13.946 ( -0.243 0.760 5.883) 5.937 14.085 ( 3.503 -5.256 -0.346) 6.325 15.557 ( 0.412 0.502 0.086) 0.655 15.562 ( 0.785 0.395 -0.036) 0.880 15.656 ( 0.469 0.774 0.130) 0.914 15.681 ( -0.960 -0.172 -0.825) 1.277 16.926 ( -0.437 -0.319 1.087) 1.214 16.950 ( 0.804 -1.215 0.553) 1.558 17.018 ( -0.974 2.361 -1.085) 2.775 17.049 ( 0.312 0.908 -1.468) 1.754 17.288 ( 0.056 0.975 -0.077) 0.980 17.299 ( 0.451 1.206 -0.971) 1.613 17.395 ( 0.372 -0.229 2.104) 2.149 17.443 ( -0.944 0.598 -1.718) 2.050 17.465 ( -0.548 0.333 -0.024) 0.642 17.512 ( -1.563 -2.385 -0.205) 2.859 17.597 ( -0.628 1.481 -2.908) 3.323 17.658 ( 0.489 -1.068 -5.024) 5.160 18.242 ( 0.593 1.176 4.047) 4.256 18.297 ( -0.246 -0.712 1.028) 1.275 18.528 ( 0.186 1.090 3.615) 3.780 18.626 ( -0.833 -3.006 -1.203) 3.344 ======================= Grid point 56 (31/48) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 1.466 5.629 14.522) 15.644 0.979 ( 4.016 8.838 12.198) 15.590 1.241 ( 2.255 -7.718 3.472) 8.758 1.309 ( -11.384 1.003 14.145) 18.185 1.352 ( 4.954 -6.449 7.894) 11.333 1.494 ( -5.864 -0.534 2.759) 6.503 1.534 ( -3.850 -1.127 4.124) 5.753 1.709 ( 3.406 1.649 -7.977) 8.829 1.750 ( 0.494 -2.863 -0.809) 3.015 1.805 ( -0.502 0.659 -4.272) 4.352 1.969 ( -0.196 2.426 -4.085) 4.755 1.999 ( 0.513 0.491 -3.966) 4.029 2.012 ( -4.327 0.659 1.596) 4.659 2.109 ( -3.425 2.098 -0.615) 4.063 2.161 ( -5.243 -2.108 -3.370) 6.579 2.222 ( 1.072 1.290 1.939) 2.564 2.269 ( -1.099 1.290 1.899) 2.545 2.372 ( 1.060 -0.372 4.434) 4.574 2.390 ( 1.339 -1.353 -2.983) 3.539 2.504 ( 0.893 0.924 2.860) 3.135 2.549 ( 0.375 -0.552 2.307) 2.401 2.585 ( 0.197 0.181 1.431) 1.456 2.749 ( -0.451 -3.366 -0.275) 3.407 2.760 ( -1.796 -3.294 -0.927) 3.865 2.837 ( 3.648 -2.218 -4.845) 6.457 2.932 ( 0.763 -1.193 1.956) 2.415 2.981 ( 7.034 -0.461 -1.934) 7.310 3.023 ( 1.985 1.692 -1.349) 2.936 3.061 ( -0.254 2.536 2.328) 3.452 3.112 ( -2.129 3.681 3.807) 5.708 3.166 ( -0.599 1.484 2.421) 2.902 3.209 ( 4.215 -5.010 0.750) 6.590 3.246 ( -1.827 -1.301 2.509) 3.365 3.309 ( 1.157 -1.181 0.308) 1.682 3.358 ( -3.060 3.523 2.698) 5.390 3.428 ( -1.558 0.418 -0.187) 1.624 3.450 ( 1.219 -0.335 6.305) 6.431 3.471 ( -1.373 -2.700 -3.123) 4.350 3.521 ( -0.368 2.508 1.710) 3.058 3.628 ( 0.750 -1.471 -0.024) 1.651 3.680 ( -3.409 1.683 -5.310) 6.531 3.727 ( -0.483 -0.372 -4.598) 4.638 3.806 ( -0.332 -0.364 -3.728) 3.760 3.877 ( 0.429 -2.223 -3.973) 4.573 3.999 ( 0.065 0.805 -2.729) 2.846 4.021 ( -0.061 3.340 0.303) 3.354 4.081 ( -0.941 0.345 1.729) 1.998 4.119 ( 0.611 -2.999 2.439) 3.913 4.271 ( 1.101 1.442 1.468) 2.334 4.363 ( -0.650 1.056 2.598) 2.878 4.383 ( -0.923 -1.037 3.461) 3.729 4.463 ( 1.509 -1.659 -3.194) 3.903 4.475 ( 0.152 0.392 -2.418) 2.454 4.505 ( 1.524 -0.443 -5.889) 6.099 4.638 ( -1.429 4.379 -0.777) 4.671 4.797 ( -1.718 0.382 -3.003) 3.481 4.888 ( 1.079 -1.181 1.296) 2.059 4.916 ( -0.697 0.288 1.175) 1.396 4.944 ( 1.782 0.020 -0.419) 1.831 4.985 ( 1.802 -0.804 -1.591) 2.535 5.103 ( 0.914 -0.145 -0.362) 0.993 5.128 ( 0.975 -1.139 -1.740) 2.297 5.191 ( -1.289 0.700 0.342) 1.506 5.219 ( -1.058 0.337 0.856) 1.402 5.385 ( 2.465 -0.354 6.135) 6.621 5.392 ( 0.213 -1.225 5.751) 5.884 5.474 ( 0.053 1.427 3.115) 3.427 5.503 ( 0.741 -0.378 1.107) 1.384 5.661 ( -1.679 0.586 0.160) 1.785 5.728 ( -2.675 -2.831 -5.047) 6.375 5.948 ( 0.316 3.911 -5.195) 6.510 6.031 ( 1.820 -0.112 -1.351) 2.269 6.200 ( 0.977 0.350 3.380) 3.535 6.270 ( -0.092 -2.509 -4.998) 5.593 6.328 ( -1.716 0.732 -2.498) 3.118 6.360 ( -0.715 -0.703 -0.882) 1.335 6.929 ( 0.814 0.716 0.349) 1.139 6.961 ( 1.101 -0.618 0.635) 1.413 7.051 ( -0.436 1.943 -0.157) 1.998 7.120 ( -0.582 -1.311 -3.249) 3.552 7.290 ( -1.122 0.511 0.806) 1.473 7.328 ( -1.214 -0.895 0.632) 1.635 7.404 ( 0.157 -0.081 -2.046) 2.054 7.415 ( 0.317 -0.510 -0.281) 0.663 7.520 ( 0.534 2.770 4.492) 5.304 7.593 ( -0.212 -0.359 1.952) 1.996 7.641 ( -0.919 0.789 -0.617) 1.359 7.705 ( -0.097 -0.841 -3.996) 4.085 7.997 ( -0.349 -1.329 0.200) 1.389 8.030 ( 0.152 -1.283 0.888) 1.567 8.102 ( 1.713 0.488 0.101) 1.784 8.107 ( 1.964 0.550 -0.319) 2.064 8.301 ( -0.362 -0.846 1.303) 1.596 8.322 ( 0.768 -0.876 0.738) 1.379 8.438 ( -0.824 0.633 2.285) 2.510 8.477 ( -0.570 -0.843 1.005) 1.430 8.736 ( -1.158 0.410 -0.366) 1.281 8.763 ( 0.640 0.137 0.608) 0.893 8.792 ( -0.564 0.000 -2.773) 2.830 8.833 ( 0.573 -0.784 -1.839) 2.080 11.579 ( -0.751 0.212 1.054) 1.311 11.589 ( -0.911 0.071 0.385) 0.992 11.729 ( 0.599 0.401 1.271) 1.461 11.765 ( -0.248 -0.951 -0.276) 1.020 11.931 ( -0.468 0.731 -0.784) 1.170 11.944 ( -0.453 0.241 -1.138) 1.248 11.976 ( 1.151 -0.263 0.093) 1.184 11.982 ( 0.839 -0.392 0.298) 0.973 13.716 ( 0.501 0.840 1.948) 2.180 13.752 ( 1.501 -0.461 1.675) 2.296 13.915 ( -2.453 1.663 4.294) 5.217 14.080 ( -3.521 -5.372 -0.256) 6.428 15.564 ( 0.290 0.746 -0.486) 0.936 15.590 ( 1.593 0.270 -0.165) 1.625 15.648 ( -1.934 0.336 -0.745) 2.100 15.659 ( -0.288 0.036 0.465) 0.548 16.920 ( -0.098 0.354 0.918) 0.989 16.960 ( -0.075 -0.675 0.091) 0.685 17.001 ( -0.118 1.515 -0.011) 1.520 17.057 ( 0.282 0.044 -1.554) 1.579 17.286 ( -0.265 1.033 -0.506) 1.181 17.303 ( -0.165 1.208 -0.972) 1.559 17.406 ( 0.507 -0.359 2.699) 2.770 17.445 ( 0.979 1.077 -1.081) 1.814 17.466 ( 0.676 0.849 -0.709) 1.296 17.495 ( 0.379 -3.012 -0.005) 3.036 17.590 ( -0.121 1.569 -2.652) 3.084 17.661 ( -0.122 -1.313 -5.221) 5.385 18.275 ( 2.410 0.751 3.807) 4.568 18.309 ( 1.422 -0.454 1.263) 1.955 18.505 ( -2.244 0.588 3.319) 4.050 18.554 ( -5.188 -1.339 0.621) 5.394 ======================= Grid point 57 (32/48) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.180 5.553 13.065) 14.798 1.051 ( -3.514 8.418 9.524) 13.188 1.096 ( -1.722 1.987 10.465) 10.790 1.254 ( -1.970 0.083 10.153) 10.342 1.393 ( -1.562 -3.702 5.636) 6.922 1.436 ( 1.224 -3.458 -4.402) 5.730 1.520 ( 4.554 -1.678 3.222) 5.825 1.730 ( -0.571 -2.673 -5.918) 6.519 1.787 ( -2.118 0.213 -2.045) 2.952 1.814 ( 2.258 -0.130 -1.472) 2.698 1.904 ( -2.364 -0.259 -3.283) 4.054 1.954 ( -1.527 2.016 -9.092) 9.437 1.995 ( 1.151 -0.052 -1.726) 2.075 2.042 ( -5.445 -3.397 -2.462) 6.874 2.102 ( 2.429 0.821 1.038) 2.766 2.224 ( -0.247 -4.014 -0.106) 4.023 2.273 ( 0.426 -1.696 0.099) 1.751 2.372 ( -1.553 -4.178 -1.528) 4.712 2.432 ( 3.703 2.123 4.440) 6.159 2.537 ( 1.091 -0.451 0.055) 1.182 2.572 ( 2.678 1.411 2.486) 3.917 2.629 ( 2.710 0.468 2.180) 3.509 2.690 ( -2.299 -0.116 0.169) 2.309 2.773 ( 0.091 -0.796 1.408) 1.620 2.877 ( -0.882 0.530 0.458) 1.126 2.940 ( -0.384 -0.411 1.728) 1.817 2.989 ( -4.225 2.555 8.037) 9.432 3.012 ( -1.144 3.007 -1.842) 3.708 3.085 ( 0.193 1.822 -0.142) 1.837 3.121 ( -0.265 -1.277 -0.840) 1.552 3.173 ( 1.541 -1.487 1.705) 2.737 3.190 ( -0.615 1.769 3.033) 3.565 3.286 ( -0.485 2.909 -0.797) 3.055 3.316 ( 1.357 -2.746 5.972) 6.712 3.332 ( 0.615 -1.337 -1.427) 2.050 3.408 ( 1.167 -1.034 -2.335) 2.808 3.441 ( -0.141 -1.955 4.289) 4.715 3.488 ( -0.560 -1.300 -3.938) 4.184 3.513 ( 0.490 1.771 4.087) 4.481 3.599 ( -2.734 1.071 -3.883) 4.868 3.658 ( 0.556 -2.465 1.274) 2.830 3.712 ( -0.114 -1.086 -4.085) 4.228 3.795 ( -0.253 0.009 -3.117) 3.127 3.859 ( -1.938 -0.912 -4.260) 4.769 4.007 ( -1.190 3.157 -1.181) 3.575 4.011 ( 0.998 1.283 -2.827) 3.261 4.068 ( -0.184 0.850 1.663) 1.877 4.139 ( 1.129 -3.270 0.634) 3.517 4.277 ( -0.655 1.063 2.074) 2.420 4.341 ( 0.210 2.704 0.997) 2.889 4.398 ( 0.415 -2.377 4.362) 4.985 4.460 ( -0.413 -2.876 -1.211) 3.148 4.511 ( 1.777 2.643 -0.817) 3.288 4.545 ( 1.739 0.285 -6.210) 6.455 4.619 ( -0.251 2.912 -2.396) 3.779 4.751 ( -1.924 0.399 -3.132) 3.698 4.898 ( -0.338 0.271 0.385) 0.580 4.908 ( 0.179 -0.230 1.012) 1.053 4.978 ( 0.605 0.190 0.314) 0.708 5.019 ( 0.816 -0.285 -2.265) 2.425 5.117 ( 0.256 -0.877 0.616) 1.102 5.135 ( 0.019 -1.532 -0.968) 1.813 5.189 ( 0.698 0.226 -0.533) 0.907 5.207 ( 0.149 0.320 -0.275) 0.448 5.367 ( -1.906 -0.449 5.916) 6.232 5.415 ( -0.520 -1.777 4.547) 4.910 5.481 ( 1.382 1.499 3.613) 4.148 5.542 ( 1.764 -1.316 1.936) 2.931 5.656 ( 1.544 0.434 4.969) 5.222 5.701 ( 0.217 -2.121 -2.279) 3.121 5.942 ( -0.837 5.123 -7.040) 8.747 6.053 ( 0.476 0.099 -1.572) 1.645 6.195 ( -1.816 -0.134 -0.707) 1.954 6.230 ( -2.600 -1.803 -7.603) 8.235 6.299 ( -0.394 1.189 -0.142) 1.261 6.376 ( 1.378 -2.328 -1.394) 3.043 6.951 ( 0.975 0.735 1.108) 1.649 6.981 ( 0.665 -0.030 1.393) 1.544 7.032 ( -1.145 1.864 -0.435) 2.230 7.115 ( 0.001 -1.531 -3.736) 4.038 7.284 ( 0.568 0.504 1.000) 1.255 7.326 ( 0.747 -0.712 0.732) 1.266 7.398 ( -0.514 -0.427 -1.551) 1.689 7.415 ( -0.201 -0.802 -0.771) 1.131 7.512 ( -1.072 3.647 3.156) 4.941 7.601 ( 0.838 0.137 3.018) 3.135 7.638 ( 0.386 0.737 -1.482) 1.700 7.692 ( -0.745 -1.298 -2.101) 2.580 7.997 ( 0.234 -0.559 0.322) 0.686 8.034 ( 0.095 -0.639 -0.193) 0.675 8.123 ( 0.569 0.114 0.967) 1.128 8.148 ( 1.113 -0.231 0.364) 1.194 8.295 ( -0.079 -0.036 2.685) 2.686 8.333 ( 0.054 -0.313 1.389) 1.425 8.424 ( -0.149 -0.195 1.107) 1.134 8.459 ( -0.993 -1.260 0.237) 1.621 8.716 ( -0.698 0.816 -0.493) 1.181 8.762 ( -0.539 -0.922 -2.158) 2.408 8.792 ( 0.482 1.001 -0.281) 1.146 8.841 ( 0.194 -0.819 -1.658) 1.859 11.571 ( 0.135 0.179 1.157) 1.179 11.579 ( 0.079 0.165 0.815) 0.835 11.733 ( -0.239 0.409 0.965) 1.075 11.756 ( -0.597 -0.340 0.099) 0.694 11.921 ( -0.429 0.817 -0.646) 1.127 11.935 ( -0.319 0.353 -0.960) 1.072 11.998 ( 0.604 -0.494 0.137) 0.793 11.999 ( 0.667 -0.507 -0.019) 0.838 13.744 ( 2.179 0.864 2.440) 3.384 13.786 ( 1.087 -0.665 2.345) 2.669 13.863 ( -1.646 1.531 3.110) 3.837 13.976 ( -5.589 -2.968 1.543) 6.513 15.570 ( 0.374 1.172 -0.570) 1.356 15.603 ( -2.072 0.877 -0.388) 2.283 15.627 ( 1.705 -0.567 -0.183) 1.806 15.648 ( -0.630 -0.410 0.395) 0.849 16.921 ( 0.138 0.717 0.695) 1.008 16.952 ( -0.436 0.215 -0.192) 0.523 17.009 ( 0.458 0.598 0.611) 0.969 17.060 ( 0.054 -0.583 -1.389) 1.508 17.280 ( -0.163 1.002 -0.559) 1.159 17.294 ( -0.486 1.164 -1.114) 1.683 17.410 ( -0.065 -0.335 2.998) 3.018 17.474 ( 0.270 -1.137 1.396) 1.821 17.482 ( 1.917 0.461 -0.600) 2.061 17.520 ( 1.149 -0.964 -2.806) 3.182 17.595 ( 0.739 1.018 -4.315) 4.494 17.653 ( -0.594 -1.223 -5.984) 6.136 18.339 ( 3.385 -0.072 3.881) 5.151 18.351 ( 2.062 -0.553 2.518) 3.301 18.441 ( -3.959 0.400 1.837) 4.383 18.447 ( -3.320 0.212 2.197) 3.987 ======================= Grid point 58 (33/48) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.554 7.161 15.039) 16.851 0.996 ( -5.311 9.462 11.765) 16.004 1.161 ( 7.473 -2.360 7.416) 10.790 1.239 ( 0.993 -2.476 11.542) 11.846 1.432 ( 2.693 0.696 -0.534) 2.832 1.479 ( 2.730 -2.527 -4.231) 5.634 1.583 ( 1.004 1.854 0.644) 2.205 1.724 ( -0.929 -1.420 3.676) 4.049 1.737 ( 1.483 -2.188 -7.223) 7.692 1.826 ( -1.647 -2.637 0.583) 3.163 1.871 ( -0.155 1.300 -3.906) 4.119 1.945 ( -2.054 -2.569 -3.789) 5.018 1.976 ( 0.738 1.501 -6.105) 6.330 2.066 ( 2.936 -2.587 -1.177) 4.087 2.169 ( 2.860 -2.161 -0.750) 3.662 2.201 ( 1.366 -1.843 -1.529) 2.757 2.323 ( 1.334 -5.936 0.709) 6.125 2.335 ( 0.528 -4.120 -4.040) 5.794 2.516 ( 0.130 2.326 4.453) 5.025 2.557 ( 0.449 2.154 -1.025) 2.427 2.562 ( 0.451 0.588 -0.587) 0.946 2.676 ( 1.470 1.051 0.278) 1.829 2.715 ( -2.996 1.227 3.669) 4.893 2.727 ( 1.707 -0.500 3.175) 3.639 2.808 ( -3.095 1.984 3.912) 5.368 2.912 ( -1.731 -2.227 0.145) 2.824 2.950 ( -0.345 1.457 5.858) 6.046 2.997 ( -1.245 2.300 -1.081) 2.830 3.074 ( -2.039 1.835 1.027) 2.929 3.091 ( 0.433 -1.592 2.870) 3.310 3.162 ( -2.452 1.875 3.024) 4.321 3.170 ( -1.440 2.062 -0.615) 2.589 3.293 ( 1.778 4.434 -2.189) 5.255 3.299 ( -0.503 1.604 5.578) 5.826 3.393 ( -1.242 -3.262 -0.957) 3.619 3.404 ( -0.238 -3.138 1.156) 3.353 3.438 ( 0.306 -1.759 5.322) 5.613 3.493 ( 2.602 -2.166 -2.410) 4.156 3.530 ( -0.667 2.094 -0.088) 2.200 3.585 ( 2.174 -2.686 -1.113) 3.630 3.667 ( 1.025 -2.498 -1.597) 3.138 3.713 ( -0.671 -3.001 -4.965) 5.840 3.799 ( -0.033 1.024 -3.107) 3.272 3.827 ( 0.193 0.787 -2.528) 2.654 3.979 ( -1.165 2.878 -1.902) 3.641 4.032 ( 0.797 1.795 -2.330) 3.047 4.074 ( 0.827 -0.184 1.239) 1.501 4.154 ( 0.024 -1.480 0.392) 1.531 4.274 ( 0.514 0.982 1.472) 1.843 4.343 ( -1.299 1.639 1.441) 2.540 4.387 ( -0.034 -2.011 1.992) 2.831 4.449 ( -0.768 -3.177 -3.501) 4.790 4.543 ( 0.607 2.773 -0.645) 2.911 4.561 ( -0.186 0.940 -3.671) 3.795 4.634 ( 1.676 1.916 -1.133) 2.786 4.733 ( 0.444 1.393 -3.233) 3.548 4.886 ( -0.725 -0.007 0.985) 1.223 4.913 ( 0.223 0.091 1.332) 1.353 4.970 ( -1.048 0.249 0.029) 1.078 5.006 ( -1.806 0.473 -1.130) 2.182 5.108 ( -0.821 -0.804 0.979) 1.510 5.131 ( -0.891 -2.146 -1.088) 2.566 5.202 ( 0.666 0.783 -0.736) 1.264 5.229 ( 1.656 -0.557 -1.190) 2.114 5.331 ( -1.256 -0.151 6.309) 6.434 5.394 ( -0.961 -1.659 3.964) 4.403 5.503 ( 0.202 0.795 2.980) 3.091 5.560 ( 0.007 -1.261 0.485) 1.351 5.719 ( 3.751 -0.043 7.354) 8.255 5.732 ( 2.458 -1.303 0.024) 2.782 5.912 ( -1.928 4.856 -7.390) 9.051 6.052 ( -1.043 -1.312 -4.637) 4.931 6.148 ( -1.423 0.291 -1.757) 2.280 6.177 ( -2.015 -0.373 -6.236) 6.564 6.312 ( 1.187 1.022 1.047) 1.884 6.402 ( 0.968 -2.579 -2.177) 3.511 6.954 ( -0.736 0.694 1.021) 1.437 6.985 ( -0.455 0.085 1.439) 1.512 7.022 ( 0.464 2.201 -0.615) 2.332 7.118 ( 0.346 -1.782 -3.573) 4.008 7.309 ( 1.514 0.621 1.094) 1.969 7.345 ( 0.739 -0.005 -0.781) 1.075 7.391 ( -0.166 -1.021 -0.810) 1.314 7.410 ( -0.082 -0.967 -1.566) 1.843 7.490 ( -0.786 3.389 3.761) 5.123 7.616 ( 0.283 -0.811 3.218) 3.330 7.643 ( 0.291 0.692 -3.609) 3.686 7.690 ( 0.549 -1.036 -0.338) 1.221 8.003 ( 0.313 -0.039 0.750) 0.814 8.031 ( -0.324 -0.174 -1.193) 1.249 8.122 ( -0.812 -0.088 1.190) 1.444 8.145 ( -1.249 -0.550 0.605) 1.493 8.286 ( -0.871 1.364 3.175) 3.564 8.338 ( 0.497 -0.810 1.279) 1.593 8.427 ( 0.070 -0.814 1.431) 1.648 8.449 ( 0.448 -0.901 0.620) 1.182 8.709 ( 0.082 0.972 -0.284) 1.016 8.755 ( 0.086 -0.834 -2.515) 2.651 8.800 ( 0.116 0.719 -0.012) 0.728 8.841 ( -0.152 -0.827 -1.896) 2.074 11.585 ( 0.992 0.145 0.661) 1.201 11.592 ( 1.045 0.123 0.496) 1.163 11.720 ( -0.877 0.649 1.354) 1.739 11.744 ( -0.418 -0.298 0.523) 0.733 11.916 ( -0.016 0.795 -0.286) 0.845 11.932 ( 0.028 0.318 -0.746) 0.811 12.000 ( -0.341 -0.404 -0.026) 0.529 12.003 ( -0.355 -0.664 -0.258) 0.795 13.767 ( -1.704 0.793 1.261) 2.263 13.806 ( 2.230 -0.324 2.234) 3.174 13.868 ( -1.302 -0.474 3.853) 4.095 13.887 ( 1.279 -0.320 3.952) 4.167 15.564 ( -1.284 0.737 -0.104) 1.484 15.577 ( -0.190 0.619 0.012) 0.648 15.632 ( -0.126 0.235 -0.020) 0.268 15.667 ( 1.459 -0.731 -0.415) 1.684 16.924 ( 0.206 0.435 0.444) 0.654 16.946 ( -0.180 -0.419 0.412) 0.615 17.014 ( 0.200 1.470 -0.069) 1.485 17.060 ( -0.120 -0.191 -1.137) 1.159 17.280 ( 0.093 0.918 -0.353) 0.988 17.288 ( -0.079 1.069 -1.103) 1.538 17.404 ( -0.476 -0.161 2.450) 2.501 17.470 ( -0.358 -2.589 1.126) 2.846 17.521 ( 1.315 0.472 -0.385) 1.449 17.528 ( -0.472 0.736 -1.750) 1.957 17.613 ( 0.721 -0.086 -6.113) 6.156 17.642 ( -0.272 -1.082 -6.669) 6.761 18.315 ( -3.643 0.431 4.094) 5.498 18.366 ( -2.323 -1.314 2.425) 3.606 18.434 ( 3.011 0.910 2.184) 3.829 18.468 ( 5.040 -0.418 1.735) 5.346 ======================= Grid point 59 (34/48) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.854 8.141 13.168) 15.505 0.911 ( -1.106 8.220 14.557) 16.754 1.247 ( -0.226 -6.477 6.140) 8.927 1.266 ( 1.010 -5.955 12.909) 14.253 1.468 ( 1.293 0.289 -6.093) 6.236 1.542 ( 2.940 0.178 1.339) 3.236 1.611 ( 1.015 -1.054 4.262) 4.506 1.724 ( -0.326 2.936 2.889) 4.132 1.769 ( -2.931 -7.445 1.023) 8.066 1.793 ( 3.128 -0.156 -1.520) 3.481 1.893 ( 1.610 2.541 -3.168) 4.369 1.927 ( 2.339 2.305 -6.896) 7.638 2.020 ( 2.812 0.404 1.053) 3.030 2.077 ( -0.379 0.206 0.729) 0.847 2.203 ( 0.161 -2.660 -2.841) 3.895 2.269 ( 2.337 -0.174 0.652) 2.433 2.315 ( -0.062 -1.479 -3.981) 4.248 2.394 ( 1.606 -4.755 -0.706) 5.069 2.446 ( -2.144 0.131 1.108) 2.417 2.537 ( -2.801 3.034 -3.268) 5.266 2.609 ( -1.654 1.037 2.141) 2.898 2.628 ( -4.354 0.580 3.880) 5.861 2.670 ( 3.687 -2.965 -0.651) 4.776 2.774 ( 1.475 -2.327 2.675) 3.840 2.802 ( -1.793 1.906 0.418) 2.650 2.874 ( -0.100 -1.005 0.421) 1.094 2.943 ( -0.523 -1.714 0.153) 1.798 2.994 ( -1.392 4.460 -1.832) 5.019 2.998 ( 0.479 0.640 0.180) 0.819 3.093 ( -2.421 -1.719 6.338) 6.999 3.132 ( 1.574 0.403 3.124) 3.521 3.200 ( 1.735 0.102 -3.017) 3.482 3.259 ( -2.493 3.880 3.549) 5.819 3.327 ( 0.479 1.666 1.631) 2.380 3.348 ( -0.172 -0.237 3.496) 3.508 3.419 ( 0.758 0.284 5.342) 5.403 3.458 ( 0.724 0.031 3.336) 3.414 3.500 ( 0.219 -1.428 -4.504) 4.730 3.542 ( 0.059 -1.265 0.274) 1.296 3.645 ( 1.996 -3.266 1.571) 4.137 3.684 ( -0.038 -0.770 -7.120) 7.162 3.703 ( 1.372 -3.215 -4.250) 5.503 3.796 ( 0.076 0.847 -4.915) 4.988 3.852 ( 0.929 -0.508 -2.753) 2.950 3.972 ( 0.931 3.320 -1.548) 3.779 4.035 ( -0.702 1.391 -0.668) 1.695 4.095 ( 0.701 -1.632 0.833) 1.961 4.140 ( -1.051 -0.059 2.149) 2.393 4.260 ( -1.814 1.339 1.202) 2.555 4.326 ( 0.648 0.138 0.541) 0.856 4.405 ( 0.978 -0.846 1.485) 1.970 4.435 ( -0.211 -1.706 -4.834) 5.131 4.520 ( -1.907 0.771 -4.797) 5.219 4.547 ( -1.414 1.564 0.478) 2.162 4.673 ( 1.401 1.866 0.140) 2.338 4.761 ( 1.746 2.042 -3.054) 4.068 4.863 ( -1.439 -0.681 2.023) 2.574 4.920 ( 0.506 0.151 1.677) 1.758 4.943 ( -0.627 0.178 -1.253) 1.412 4.978 ( -0.701 -0.158 0.315) 0.785 5.087 ( -1.024 -0.809 0.415) 1.370 5.103 ( -1.115 -1.537 -0.921) 2.110 5.217 ( 0.645 1.445 -0.054) 1.583 5.260 ( 0.771 -0.502 -1.448) 1.716 5.321 ( 0.259 0.134 6.105) 6.112 5.377 ( -0.768 -1.659 4.005) 4.402 5.491 ( -1.083 1.163 2.164) 2.685 5.546 ( -1.241 -0.811 0.098) 1.486 5.754 ( -0.776 1.059 -0.579) 1.435 5.804 ( 2.896 -1.526 2.062) 3.869 5.891 ( 0.925 2.456 -2.892) 3.906 5.994 ( -3.354 -2.233 -8.924) 9.792 6.148 ( 0.488 1.144 0.157) 1.253 6.173 ( 2.070 -0.142 -0.511) 2.137 6.339 ( 1.185 0.997 -0.041) 1.549 6.413 ( -0.009 -1.803 -2.424) 3.021 6.933 ( -0.977 0.566 0.135) 1.137 6.966 ( -1.191 0.135 0.429) 1.273 7.038 ( 0.800 2.060 0.039) 2.211 7.129 ( 0.560 -1.756 -3.151) 3.651 7.333 ( 0.422 0.610 0.946) 1.202 7.360 ( 1.042 0.370 -1.974) 2.262 7.387 ( 0.008 -0.543 -1.631) 1.719 7.408 ( -0.616 -1.472 -0.715) 1.749 7.485 ( 0.287 2.604 4.551) 5.252 7.611 ( -0.468 -2.287 2.752) 3.609 7.660 ( 1.106 0.978 -2.982) 3.327 7.698 ( -0.077 -0.728 -2.024) 2.153 8.009 ( 0.346 -0.332 0.743) 0.884 8.024 ( -0.237 -0.778 -0.721) 1.087 8.090 ( -1.929 0.469 0.568) 2.065 8.108 ( -1.801 0.030 0.301) 1.826 8.275 ( 0.131 1.281 2.302) 2.638 8.339 ( -0.443 -1.459 0.440) 1.587 8.435 ( 0.726 -0.250 2.512) 2.626 8.467 ( 0.891 -0.355 2.096) 2.305 8.719 ( 0.825 0.929 0.281) 1.274 8.765 ( 0.655 -0.978 -1.680) 2.051 8.796 ( -0.403 0.589 -0.898) 1.147 8.835 ( -0.391 -0.845 -2.260) 2.444 11.603 ( 0.475 0.113 -0.137) 0.507 11.611 ( 0.468 0.058 -0.189) 0.508 11.704 ( -0.353 0.862 2.197) 2.386 11.746 ( 0.683 -1.005 0.521) 1.322 11.921 ( 0.519 0.682 -0.058) 0.859 11.936 ( 0.363 0.234 -0.632) 0.765 11.987 ( -0.919 -0.380 -0.368) 1.060 11.987 ( -0.945 -0.407 -0.194) 1.047 13.737 ( -0.906 0.705 0.706) 1.348 13.767 ( -2.885 -0.409 1.696) 3.371 13.921 ( 2.664 -0.399 5.877) 6.465 13.966 ( 6.060 -1.239 3.181) 6.955 15.549 ( -0.114 0.639 0.061) 0.652 15.565 ( -0.628 -0.012 0.568) 0.847 15.641 ( 0.766 1.150 -0.370) 1.430 15.687 ( 0.378 -0.628 -0.578) 0.934 16.931 ( 0.337 -0.348 0.413) 0.636 16.940 ( -0.282 -0.991 1.068) 1.484 17.022 ( 0.424 2.322 -1.080) 2.596 17.053 ( -0.489 0.771 -1.176) 1.489 17.284 ( 0.291 0.887 -0.226) 0.960 17.290 ( 0.279 1.038 -0.811) 1.346 17.394 ( -0.341 -0.019 1.943) 1.973 17.462 ( -0.476 -1.991 0.018) 2.048 17.496 ( -2.184 0.973 -1.461) 2.801 17.533 ( -0.149 -0.666 -0.290) 0.742 17.618 ( -0.796 0.034 -5.629) 5.685 17.643 ( 0.675 -0.771 -5.635) 5.728 18.254 ( -1.835 1.120 4.199) 4.717 18.318 ( -1.768 -0.997 1.340) 2.432 18.497 ( 2.530 1.057 3.178) 4.197 18.580 ( 4.639 -2.404 0.091) 5.225 ======================= Grid point 60 (35/48) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.599 -8.627 4.681) 9.833 1.018 ( -0.599 8.627 4.681) 9.833 1.115 ( 0.466 -7.381 16.350) 17.945 1.115 ( 0.466 7.381 16.350) 17.945 1.494 ( -2.875 -3.203 2.092) 4.785 1.494 ( -2.875 3.203 2.092) 4.785 1.648 ( 0.711 -3.416 3.292) 4.797 1.648 ( 0.711 3.416 3.292) 4.797 1.792 ( -1.066 -3.565 -5.849) 6.932 1.792 ( -1.066 3.565 -5.849) 6.932 1.992 ( 2.257 -2.092 -1.140) 3.281 1.992 ( 2.257 2.092 -1.140) 3.281 2.110 ( 0.762 -2.364 0.829) 2.618 2.110 ( 0.762 2.364 0.829) 2.618 2.190 ( -0.087 -3.819 -0.646) 3.874 2.190 ( -0.087 3.819 -0.646) 3.874 2.366 ( -0.083 -0.871 0.604) 1.063 2.366 ( -0.083 0.871 0.604) 1.063 2.463 ( -2.125 -5.722 3.834) 7.208 2.463 ( -2.125 5.722 3.834) 7.208 2.574 ( -1.725 -1.936 2.602) 3.674 2.574 ( -1.725 1.936 2.602) 3.674 2.697 ( 1.990 -2.556 -4.115) 5.237 2.697 ( 1.990 2.556 -4.115) 5.237 2.828 ( -3.116 -3.825 -2.765) 5.656 2.828 ( -3.116 3.825 -2.765) 5.656 2.928 ( 2.781 -2.364 -0.273) 3.660 2.928 ( 2.781 2.364 -0.273) 3.660 3.092 ( 1.865 -1.387 4.344) 4.927 3.092 ( 1.865 1.387 4.344) 4.927 3.180 ( 1.657 -4.134 -1.897) 4.840 3.180 ( 1.657 4.134 -1.897) 4.840 3.284 ( -2.449 -2.664 3.718) 5.188 3.284 ( -2.449 2.664 3.718) 5.188 3.449 ( -1.459 -0.624 3.675) 4.003 3.449 ( -1.459 0.624 3.675) 4.003 3.461 ( 1.512 -3.846 2.637) 4.902 3.461 ( 1.512 3.846 2.637) 4.902 3.575 ( -0.244 -2.696 0.862) 2.841 3.575 ( -0.244 2.696 0.862) 2.841 3.698 ( 1.812 -0.520 -6.345) 6.619 3.698 ( 1.812 0.520 -6.345) 6.619 3.827 ( -0.154 -1.560 -6.050) 6.250 3.827 ( -0.154 1.560 -6.050) 6.250 4.029 ( -0.119 -1.898 -0.808) 2.066 4.029 ( -0.119 1.898 -0.808) 2.066 4.098 ( -0.351 -3.020 3.031) 4.293 4.098 ( -0.351 3.020 3.031) 4.293 4.303 ( 0.697 -2.826 -0.254) 2.922 4.303 ( 0.697 2.826 -0.254) 2.922 4.421 ( 0.242 -0.268 -1.360) 1.408 4.421 ( 0.242 0.268 -1.360) 1.408 4.498 ( -1.903 -0.869 -3.569) 4.137 4.498 ( -1.903 0.869 -3.569) 4.137 4.769 ( 0.300 -4.497 1.597) 4.782 4.769 ( 0.300 4.497 1.597) 4.782 4.873 ( -0.124 -2.844 -1.463) 3.201 4.873 ( -0.124 2.844 -1.463) 3.201 4.952 ( 0.113 -0.741 0.299) 0.807 4.952 ( 0.113 0.741 0.299) 0.807 5.089 ( 0.996 -0.627 -0.689) 1.364 5.089 ( 0.996 0.627 -0.689) 1.364 5.241 ( -1.236 -1.006 0.214) 1.608 5.241 ( -1.236 1.006 0.214) 1.608 5.351 ( 1.263 -0.809 5.762) 5.954 5.351 ( 1.263 0.809 5.762) 5.954 5.500 ( -0.787 -1.197 1.010) 1.753 5.500 ( -0.787 1.197 1.010) 1.753 5.744 ( -3.252 -2.183 -3.345) 5.151 5.744 ( -3.252 2.183 -3.345) 5.151 5.962 ( 2.585 -1.253 -2.666) 3.919 5.962 ( 2.585 1.253 -2.666) 3.919 6.197 ( 1.580 -1.572 1.057) 2.467 6.197 ( 1.580 1.572 1.057) 2.467 6.374 ( -0.765 -1.191 -1.908) 2.376 6.374 ( -0.765 1.191 -1.908) 2.376 6.936 ( -0.223 -0.880 0.440) 1.009 6.936 ( -0.223 0.880 0.440) 1.009 7.095 ( 0.068 -2.052 -2.267) 3.058 7.095 ( 0.068 2.052 -2.267) 3.058 7.342 ( -1.776 -1.413 0.543) 2.334 7.342 ( -1.776 1.413 0.543) 2.334 7.393 ( 1.024 -0.295 -1.704) 2.010 7.393 ( 1.024 0.295 -1.704) 2.010 7.553 ( 0.673 -2.684 3.922) 4.800 7.553 ( 0.673 2.684 3.922) 4.800 7.686 ( -0.306 -0.905 -2.634) 2.802 7.686 ( -0.306 0.905 -2.634) 2.802 7.999 ( -0.321 -0.578 1.058) 1.248 7.999 ( -0.321 0.578 1.058) 1.248 8.085 ( 0.234 -0.573 -0.782) 0.997 8.085 ( 0.234 0.573 -0.782) 0.997 8.302 ( -0.149 -0.890 0.531) 1.047 8.302 ( -0.149 0.890 0.531) 1.047 8.462 ( 0.243 -1.116 3.419) 3.605 8.462 ( 0.243 1.116 3.419) 3.605 8.756 ( 0.359 -0.721 -0.720) 1.080 8.756 ( 0.359 0.721 -0.720) 1.080 8.805 ( -0.195 -1.066 -2.224) 2.474 8.805 ( -0.195 1.066 -2.224) 2.474 11.604 ( -0.760 -0.350 0.306) 0.891 11.604 ( -0.760 0.350 0.306) 0.891 11.732 ( 0.645 -1.296 0.786) 1.647 11.732 ( 0.645 1.296 0.786) 1.647 11.944 ( 0.423 -0.344 -0.549) 0.774 11.944 ( 0.423 0.344 -0.549) 0.774 11.967 ( -0.337 -0.242 -0.196) 0.458 11.967 ( -0.337 0.242 -0.196) 0.458 13.732 ( -0.431 -0.261 1.351) 1.442 13.732 ( -0.431 0.261 1.351) 1.442 13.988 ( 1.209 -3.575 3.416) 5.091 13.988 ( 1.209 3.575 3.416) 5.091 15.565 ( 0.643 -0.171 0.172) 0.687 15.565 ( 0.643 0.171 0.172) 0.687 15.672 ( -0.282 -0.690 -0.353) 0.824 15.672 ( -0.282 0.690 -0.353) 0.824 16.930 ( 0.246 -0.645 1.025) 1.236 16.930 ( 0.246 0.645 1.025) 1.236 17.052 ( -0.507 -0.818 -1.674) 1.931 17.052 ( -0.507 0.818 -1.674) 1.931 17.309 ( 0.275 -0.660 -0.333) 0.789 17.309 ( 0.275 0.660 -0.333) 0.789 17.415 ( 0.519 -2.351 0.676) 2.500 17.415 ( 0.519 2.351 0.676) 2.500 17.481 ( -1.560 -1.144 -0.624) 2.033 17.481 ( -1.560 1.144 -0.624) 2.033 17.629 ( -0.007 -1.602 -4.446) 4.726 17.629 ( -0.007 1.602 -4.446) 4.726 18.272 ( 0.197 -1.562 2.868) 3.272 18.272 ( 0.197 1.562 2.868) 3.272 18.565 ( -0.176 -2.551 1.076) 2.774 18.565 ( -0.176 2.551 1.076) 2.774 ======================= Grid point 62 (36/48) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.028 -11.122 9.843) 14.990 1.033 ( 2.028 11.122 9.843) 14.990 1.176 ( 4.845 -9.874 9.510) 14.540 1.176 ( 4.845 9.874 9.510) 14.540 1.374 ( -7.765 -4.937 7.975) 12.176 1.374 ( -7.765 4.937 7.975) 12.176 1.645 ( -0.704 -6.021 1.711) 6.299 1.645 ( -0.704 6.021 1.711) 6.299 1.781 ( 0.646 -3.866 -8.856) 9.685 1.781 ( 0.646 3.866 -8.856) 9.685 2.006 ( -1.446 -1.937 0.603) 2.491 2.006 ( -1.446 1.937 0.603) 2.491 2.046 ( -4.493 -4.202 -4.061) 7.371 2.046 ( -4.493 4.202 -4.061) 7.371 2.207 ( -1.237 -2.902 -1.585) 3.531 2.207 ( -1.237 2.902 -1.585) 3.531 2.325 ( -2.392 -3.251 1.978) 4.495 2.325 ( -2.392 3.251 1.978) 4.495 2.448 ( 1.186 -5.946 -0.480) 6.082 2.448 ( 1.186 5.946 -0.480) 6.082 2.561 ( 0.584 -2.065 3.852) 4.409 2.561 ( 0.584 2.065 3.852) 4.409 2.715 ( 0.406 -1.139 -1.118) 1.647 2.715 ( 0.406 1.139 -1.118) 1.647 2.863 ( 4.340 -3.920 -1.308) 5.993 2.863 ( 4.340 3.920 -1.308) 5.993 3.012 ( 4.883 -3.275 1.465) 6.059 3.012 ( 4.883 3.275 1.465) 6.059 3.110 ( 0.023 -1.898 3.344) 3.845 3.110 ( 0.023 1.898 3.344) 3.845 3.194 ( -3.544 -3.255 2.491) 5.419 3.194 ( -3.544 3.255 2.491) 5.419 3.255 ( 2.273 -4.371 0.096) 4.927 3.255 ( 2.273 4.371 0.096) 4.927 3.398 ( -2.324 -0.979 1.477) 2.923 3.398 ( -2.324 0.979 1.477) 2.923 3.471 ( -1.205 -0.977 -0.567) 1.652 3.471 ( -1.205 0.977 -0.567) 1.652 3.568 ( 0.274 -3.129 4.138) 5.195 3.568 ( 0.274 3.129 4.138) 5.195 3.703 ( -1.569 -1.357 -6.884) 7.189 3.703 ( -1.569 1.357 -6.884) 7.189 3.832 ( 0.368 -2.424 -4.250) 4.906 3.832 ( 0.368 2.424 -4.250) 4.906 4.031 ( 0.357 -2.347 -0.982) 2.569 4.031 ( 0.357 2.347 -0.982) 2.569 4.090 ( -0.553 -2.288 2.455) 3.401 4.090 ( -0.553 2.288 2.455) 3.401 4.319 ( 0.784 -3.042 1.329) 3.411 4.319 ( 0.784 3.042 1.329) 3.411 4.415 ( -0.943 -2.425 0.325) 2.622 4.415 ( -0.943 2.425 0.325) 2.622 4.493 ( 1.828 -0.773 -5.421) 5.773 4.493 ( 1.828 0.773 -5.421) 5.773 4.744 ( -2.057 -5.020 0.365) 5.437 4.744 ( -2.057 5.020 0.365) 5.437 4.895 ( 1.083 -1.501 -0.135) 1.856 4.895 ( 1.083 1.501 -0.135) 1.856 4.965 ( 1.537 -1.272 -1.057) 2.257 4.965 ( 1.537 1.272 -1.057) 2.257 5.107 ( 0.431 -0.695 -0.961) 1.262 5.107 ( 0.431 0.695 -0.961) 1.262 5.212 ( -1.112 -0.967 0.497) 1.555 5.212 ( -1.112 0.967 0.497) 1.555 5.380 ( 1.055 -0.092 6.084) 6.176 5.380 ( 1.055 0.092 6.084) 6.176 5.493 ( 0.257 -0.594 1.830) 1.941 5.493 ( 0.257 0.594 1.830) 1.941 5.682 ( -2.074 -1.600 -1.580) 3.059 5.682 ( -2.074 1.600 -1.580) 3.059 6.012 ( 1.761 -1.999 -3.986) 4.794 6.012 ( 1.761 1.999 -3.986) 4.794 6.220 ( 0.265 -1.839 -0.441) 1.909 6.220 ( 0.265 1.839 -0.441) 1.909 6.344 ( -1.537 -0.804 -1.599) 2.359 6.344 ( -1.537 0.804 -1.599) 2.359 6.946 ( 1.039 -0.863 0.977) 1.667 6.946 ( 1.039 0.863 0.977) 1.667 7.089 ( -0.539 -1.702 -2.424) 3.010 7.089 ( -0.539 1.702 -2.424) 3.010 7.307 ( -1.146 -1.059 0.802) 1.754 7.307 ( -1.146 1.059 0.802) 1.754 7.406 ( 0.055 -0.265 -1.311) 1.338 7.406 ( 0.055 0.265 -1.311) 1.338 7.573 ( 1.059 -1.868 3.550) 4.149 7.573 ( 1.059 1.868 3.550) 4.149 7.671 ( -0.969 -2.060 -2.346) 3.269 7.671 ( -0.969 2.060 -2.346) 3.269 7.997 ( 0.246 -1.304 0.925) 1.617 7.997 ( 0.246 1.304 0.925) 1.617 8.110 ( 1.619 -0.204 -0.560) 1.725 8.110 ( 1.619 0.204 -0.560) 1.725 8.301 ( 0.180 -0.823 1.055) 1.350 8.301 ( 0.180 0.823 1.055) 1.350 8.455 ( -0.843 -1.058 2.512) 2.853 8.455 ( -0.843 1.058 2.512) 2.853 8.752 ( -0.623 -0.953 -1.248) 1.689 8.752 ( -0.623 0.953 -1.248) 1.689 8.809 ( 0.475 -1.332 -1.692) 2.205 8.809 ( 0.475 1.332 -1.692) 2.205 11.585 ( -0.809 -0.357 0.919) 1.275 11.585 ( -0.809 0.357 0.919) 1.275 11.744 ( 0.348 -1.005 0.417) 1.142 11.744 ( 0.348 1.005 0.417) 1.142 11.945 ( -0.325 -0.373 -1.077) 1.185 11.945 ( -0.325 0.373 -1.077) 1.185 11.974 ( 0.842 -0.234 0.220) 0.901 11.974 ( 0.842 0.234 0.220) 0.901 13.736 ( 0.877 -1.028 1.766) 2.223 13.736 ( 0.877 1.028 1.766) 2.223 13.975 ( -2.292 -4.261 2.605) 5.495 13.975 ( -2.292 4.261 2.605) 5.495 15.583 ( 0.926 -0.851 -0.385) 1.316 15.583 ( 0.926 0.851 -0.385) 1.316 15.656 ( -1.146 -0.339 0.007) 1.195 15.656 ( -1.146 0.339 0.007) 1.195 16.937 ( 0.339 -1.174 0.969) 1.560 16.937 ( 0.339 1.174 0.969) 1.560 17.040 ( -0.499 -1.668 -1.360) 2.209 17.040 ( -0.499 1.668 -1.360) 2.209 17.309 ( -0.234 -0.863 -0.659) 1.111 17.309 ( -0.234 0.863 -0.659) 1.111 17.430 ( 0.397 -2.727 1.640) 3.207 17.430 ( 0.397 2.727 1.640) 3.207 17.468 ( 0.694 -0.721 -1.197) 1.560 17.468 ( 0.694 0.721 -1.197) 1.560 17.626 ( -0.155 -1.915 -4.372) 4.775 17.626 ( -0.155 1.915 -4.372) 4.775 18.294 ( 1.787 -0.981 2.847) 3.501 18.294 ( 1.787 0.981 2.847) 3.501 18.525 ( -3.314 -1.335 1.515) 3.881 18.525 ( -3.314 1.335 1.515) 3.881 ======================= Grid point 64 (37/48) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.327 -7.038 16.091) 17.566 1.072 ( -0.327 7.038 16.091) 17.566 1.187 ( -2.286 -1.696 5.206) 5.933 1.187 ( -2.286 1.696 5.206) 5.933 1.348 ( 5.243 -2.570 5.550) 8.056 1.348 ( 5.243 2.570 5.550) 8.056 1.631 ( -0.099 -7.668 -2.787) 8.159 1.631 ( -0.099 7.668 -2.787) 8.159 1.814 ( 1.212 -2.430 -3.390) 4.344 1.814 ( 1.212 2.430 -3.390) 4.344 1.905 ( -4.140 -4.171 -1.724) 6.125 1.905 ( -4.140 4.171 -1.724) 6.125 1.999 ( -2.322 -1.167 -9.004) 9.372 1.999 ( -2.322 1.167 -9.005) 9.372 2.140 ( -2.363 -4.186 -2.132) 5.259 2.140 ( -2.363 4.186 -2.132) 5.259 2.305 ( -0.322 -3.091 0.685) 3.182 2.305 ( -0.322 3.091 0.685) 3.182 2.492 ( 2.533 -3.356 -0.225) 4.211 2.492 ( 2.533 3.356 -0.225) 4.211 2.605 ( 3.226 -1.856 3.719) 5.262 2.605 ( 3.226 1.856 3.719) 5.262 2.729 ( 0.168 -2.771 1.896) 3.362 2.729 ( 0.168 2.771 1.896) 3.362 2.902 ( -0.772 -1.643 1.641) 2.447 2.902 ( -0.772 1.643 1.641) 2.447 3.077 ( -2.405 -3.256 0.997) 4.169 3.077 ( -2.405 3.256 0.996) 4.169 3.083 ( -2.454 -2.976 3.008) 4.892 3.083 ( -2.454 2.976 3.008) 4.892 3.165 ( 4.855 -3.707 4.036) 7.321 3.165 ( 4.855 3.707 4.036) 7.321 3.307 ( 1.599 -2.890 0.680) 3.372 3.307 ( 1.599 2.890 0.680) 3.372 3.364 ( -1.329 -2.517 3.040) 4.164 3.364 ( -1.329 2.517 3.040) 4.164 3.438 ( -0.573 -2.749 -3.685) 4.633 3.438 ( -0.573 2.749 -3.685) 4.633 3.569 ( -1.107 -3.519 2.327) 4.361 3.569 ( -1.107 3.519 2.327) 4.361 3.662 ( -1.305 -2.766 -5.806) 6.562 3.662 ( -1.305 2.766 -5.806) 6.562 3.830 ( -0.349 -2.159 -2.684) 3.462 3.830 ( -0.349 2.159 -2.684) 3.462 4.040 ( 0.164 -1.609 -0.943) 1.872 4.040 ( 0.164 1.609 -0.943) 1.872 4.081 ( 0.220 -2.651 0.639) 2.736 4.081 ( 0.220 2.651 0.639) 2.736 4.330 ( 0.037 -3.498 2.347) 4.213 4.330 ( 0.037 3.498 2.347) 4.213 4.398 ( -0.470 -2.839 -0.325) 2.896 4.398 ( -0.470 2.839 -0.325) 2.896 4.544 ( 2.273 -0.568 -4.989) 5.512 4.544 ( 2.273 0.568 -4.989) 5.512 4.707 ( -1.032 -4.454 0.379) 4.588 4.707 ( -1.032 4.454 0.379) 4.588 4.903 ( -0.059 -0.742 -0.016) 0.745 4.903 ( -0.059 0.742 -0.016) 0.745 5.003 ( 1.131 -1.524 -1.287) 2.293 5.003 ( 1.131 1.524 -1.287) 2.293 5.107 ( -0.274 -0.572 -0.014) 0.634 5.107 ( -0.274 0.572 -0.014) 0.634 5.203 ( 0.212 -0.703 -0.994) 1.235 5.203 ( 0.212 0.703 -0.994) 1.235 5.377 ( -1.239 -1.410 5.797) 6.093 5.377 ( -1.239 1.410 5.797) 6.093 5.512 ( 1.213 -1.527 2.101) 2.867 5.512 ( 1.213 1.527 2.101) 2.867 5.671 ( 1.102 -1.021 2.178) 2.646 5.671 ( 1.102 1.021 2.178) 2.646 6.029 ( -0.157 -2.823 -5.442) 6.132 6.029 ( -0.157 2.823 -5.442) 6.132 6.199 ( -1.989 -0.842 -3.593) 4.192 6.199 ( -1.989 0.842 -3.593) 4.192 6.330 ( 0.272 -1.896 -0.190) 1.925 6.330 ( 0.272 1.896 -0.190) 1.925 6.970 ( 0.877 -0.916 1.731) 2.146 6.970 ( 0.877 0.916 1.731) 2.146 7.076 ( -0.515 -2.152 -2.798) 3.567 7.076 ( -0.515 2.152 -2.798) 3.567 7.303 ( 0.775 -1.283 0.920) 1.758 7.303 ( 0.775 1.283 0.920) 1.758 7.399 ( -0.564 -0.514 -1.645) 1.814 7.399 ( -0.564 0.514 -1.645) 1.814 7.585 ( -0.221 -2.429 3.012) 3.876 7.585 ( -0.221 2.429 3.012) 3.876 7.657 ( -0.080 -1.485 -1.349) 2.008 7.657 ( -0.080 1.485 -1.349) 2.008 8.008 ( 0.593 -1.376 0.784) 1.691 8.008 ( 0.593 1.376 0.784) 1.691 8.134 ( 0.459 -0.792 -0.255) 0.950 8.134 ( 0.459 0.792 -0.255) 0.950 8.312 ( 0.660 -1.350 2.350) 2.789 8.312 ( 0.660 1.350 2.350) 2.789 8.433 ( -1.035 -1.002 1.202) 1.877 8.433 ( -1.035 1.002 1.202) 1.877 8.738 ( -0.529 -1.251 -1.732) 2.201 8.738 ( -0.529 1.251 -1.732) 2.201 8.818 ( 0.286 -1.332 -1.244) 1.845 8.818 ( 0.286 1.332 -1.244) 1.845 11.577 ( 0.120 -0.275 1.154) 1.192 11.577 ( 0.120 0.275 1.154) 1.192 11.745 ( -0.277 -0.670 0.417) 0.837 11.745 ( -0.277 0.670 0.417) 0.837 11.937 ( -0.340 -0.434 -0.967) 1.113 11.937 ( -0.340 0.434 -0.967) 1.113 11.991 ( 0.555 -0.088 0.085) 0.568 11.991 ( 0.555 0.088 0.085) 0.568 13.766 ( 1.822 -1.165 2.285) 3.146 13.766 ( 1.822 1.165 2.285) 3.146 13.910 ( -3.335 -2.995 2.372) 5.071 13.910 ( -3.335 2.995 2.372) 5.071 15.598 ( 0.085 -1.260 -0.843) 1.518 15.598 ( 0.085 1.260 -0.843) 1.518 15.633 ( -0.492 -0.946 0.527) 1.190 15.633 ( -0.492 0.946 0.527) 1.190 16.941 ( -0.035 -1.020 0.952) 1.396 16.941 ( -0.035 1.020 0.952) 1.396 17.036 ( 0.177 -1.626 -1.217) 2.039 17.036 ( 0.177 1.626 -1.217) 2.039 17.302 ( -0.316 -0.718 -0.834) 1.145 17.302 ( -0.316 0.718 -0.834) 1.145 17.427 ( -0.386 -2.154 2.568) 3.374 17.427 ( -0.386 2.154 2.568) 3.374 17.502 ( 1.960 -1.046 -2.160) 3.099 17.502 ( 1.960 1.046 -2.160) 3.099 17.623 ( -0.179 -1.566 -5.011) 5.253 17.623 ( -0.179 1.566 -5.011) 5.253 18.341 ( 2.240 -0.303 3.677) 4.316 18.341 ( 2.240 0.303 3.677) 4.316 18.448 ( -3.167 -0.175 1.364) 3.453 18.448 ( -3.167 0.175 1.364) 3.453 ======================= Grid point 66 (38/48) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.696 -6.158 11.433) 13.005 1.038 ( -0.696 6.158 11.433) 13.005 1.185 ( -0.848 -3.648 14.037) 14.528 1.185 ( -0.848 3.648 14.037) 14.528 1.436 ( 3.653 -1.481 -2.599) 4.722 1.436 ( 3.653 1.481 -2.599) 4.722 1.648 ( 0.415 -4.737 -0.251) 4.762 1.648 ( 0.415 4.737 -0.251) 4.762 1.775 ( -1.887 -3.671 -2.211) 4.683 1.775 ( -1.887 3.671 -2.211) 4.683 1.904 ( 1.366 -2.055 -5.317) 5.862 1.904 ( 1.366 2.055 -5.317) 5.862 1.981 ( 1.677 -2.485 -4.067) 5.053 1.981 ( 1.677 2.485 -4.067) 5.053 2.149 ( 2.948 -1.613 -4.367) 5.510 2.149 ( 2.948 1.613 -4.367) 5.510 2.297 ( -0.145 -1.170 0.007) 1.179 2.297 ( -0.145 1.170 0.007) 1.179 2.543 ( 1.690 -1.214 1.147) 2.376 2.543 ( 1.690 1.214 1.147) 2.376 2.643 ( -1.538 -3.929 -0.137) 4.222 2.643 ( -1.538 3.929 -0.137) 4.222 2.720 ( 0.299 -0.335 5.134) 5.153 2.720 ( 0.299 0.335 5.134) 5.153 2.860 ( -2.294 -2.382 2.564) 4.185 2.860 ( -2.294 2.382 2.564) 4.185 3.013 ( -1.305 -4.254 4.759) 6.515 3.013 ( -1.305 4.254 4.759) 6.515 3.062 ( -1.212 -2.946 -1.837) 3.677 3.062 ( -1.212 2.946 -1.837) 3.677 3.218 ( -1.585 -1.338 3.225) 3.835 3.218 ( -1.585 1.338 3.225) 3.835 3.324 ( 0.965 -0.645 1.573) 1.955 3.324 ( 0.965 0.645 1.573) 1.955 3.351 ( 0.803 -3.082 5.121) 6.031 3.351 ( 0.803 3.082 5.121) 6.031 3.457 ( 1.163 -4.166 -3.685) 5.682 3.457 ( 1.163 4.166 -3.685) 5.682 3.535 ( -0.588 -0.705 0.462) 1.028 3.535 ( -0.588 0.705 0.462) 1.028 3.658 ( 0.389 -1.769 -5.627) 5.911 3.658 ( 0.389 1.769 -5.627) 5.911 3.826 ( 0.036 -0.971 -1.947) 2.176 3.826 ( 0.036 0.971 -1.947) 2.176 4.034 ( -0.392 -2.218 -0.415) 2.290 4.034 ( -0.392 2.218 -0.415) 2.290 4.101 ( 1.046 -3.562 -0.864) 3.812 4.101 ( 1.046 3.562 -0.864) 3.812 4.321 ( -0.929 -3.006 3.087) 4.408 4.321 ( -0.929 3.006 3.087) 4.408 4.393 ( 0.219 -2.107 -2.197) 3.052 4.393 ( 0.219 2.107 -2.197) 3.052 4.568 ( -0.170 -0.479 -4.746) 4.773 4.568 ( -0.170 0.479 -4.746) 4.773 4.709 ( 1.123 -3.681 1.536) 4.144 4.709 ( 1.123 3.681 1.536) 4.144 4.899 ( -0.202 -1.205 0.113) 1.227 4.899 ( -0.202 1.205 0.113) 1.227 4.998 ( -1.380 -1.513 -0.902) 2.237 4.998 ( -1.380 1.513 -0.902) 2.237 5.097 ( -0.810 -0.593 0.060) 1.006 5.097 ( -0.810 0.593 0.060) 1.006 5.217 ( 1.125 -0.702 -1.407) 1.933 5.217 ( 1.125 0.702 -1.407) 1.933 5.350 ( -0.962 -1.928 5.829) 6.215 5.350 ( -0.962 1.928 5.829) 6.215 5.529 ( 0.232 -1.558 1.144) 1.947 5.529 ( 0.232 1.558 1.144) 1.947 5.720 ( 3.156 -0.258 4.369) 5.396 5.720 ( 3.156 0.258 4.369) 5.396 6.001 ( -2.584 -3.624 -7.400) 8.635 6.001 ( -2.584 3.624 -7.400) 8.635 6.163 ( -0.880 -0.896 -2.723) 2.999 6.163 ( -0.880 0.896 -2.723) 2.999 6.347 ( 1.127 -2.389 -0.406) 2.673 6.347 ( 1.127 2.389 -0.406) 2.673 6.974 ( -0.566 -0.935 1.550) 1.896 6.974 ( -0.566 0.935 1.550) 1.896 7.074 ( 0.369 -2.460 -2.657) 3.639 7.074 ( 0.369 2.460 -2.657) 3.639 7.331 ( 1.549 -1.330 0.590) 2.125 7.331 ( 1.549 1.330 0.590) 2.125 7.387 ( -0.454 -0.834 -2.173) 2.372 7.387 ( -0.454 0.834 -2.173) 2.372 7.568 ( -1.120 -3.609 3.301) 5.017 7.568 ( -1.120 3.609 3.301) 5.017 7.667 ( 0.806 -1.298 -1.183) 1.932 7.667 ( 0.806 1.298 -1.183) 1.932 8.015 ( -0.018 -0.998 0.401) 1.076 8.015 ( -0.018 0.998 0.401) 1.076 8.130 ( -0.792 -0.719 0.034) 1.070 8.130 ( -0.792 0.719 0.034) 1.070 8.315 ( -0.434 -1.357 2.498) 2.876 8.315 ( -0.434 1.357 2.498) 2.876 8.427 ( 0.583 -0.848 1.408) 1.744 8.427 ( 0.583 0.848 1.408) 1.744 8.733 ( 0.110 -1.243 -1.673) 2.087 8.733 ( 0.110 1.243 -1.673) 2.087 8.820 ( -0.106 -1.124 -1.336) 1.750 8.820 ( -0.106 1.124 -1.336) 1.750 11.590 ( 0.970 -0.277 0.753) 1.259 11.590 ( 0.970 0.277 0.753) 1.259 11.734 ( -0.642 -0.622 0.752) 1.169 11.734 ( -0.642 0.622 0.752) 1.169 11.932 ( -0.053 -0.508 -0.642) 0.820 11.932 ( -0.053 0.508 -0.642) 0.820 11.994 ( -0.310 -0.043 -0.137) 0.342 11.994 ( -0.310 0.043 -0.137) 0.342 13.789 ( -0.773 -1.192 1.515) 2.077 13.789 ( -0.773 1.192 1.515) 2.077 13.873 ( 1.059 -0.775 3.735) 3.959 13.873 ( 1.059 0.775 3.735) 3.959 15.579 ( -1.226 -0.474 0.035) 1.315 15.579 ( -1.226 0.474 0.035) 1.315 15.646 ( 1.163 -1.077 -0.166) 1.594 15.646 ( 1.163 1.077 -0.166) 1.594 16.935 ( -0.383 -0.578 0.994) 1.212 16.935 ( -0.383 0.578 0.994) 1.212 17.045 ( 0.608 -1.269 -1.401) 1.986 17.045 ( 0.608 1.269 -1.401) 1.986 17.298 ( -0.047 -0.406 -0.687) 0.800 17.298 ( -0.047 0.406 -0.687) 0.800 17.418 ( -0.407 -1.875 2.142) 2.876 17.418 ( -0.407 1.875 2.142) 2.876 17.532 ( 0.515 -0.401 -1.679) 1.801 17.532 ( 0.515 0.401 -1.679) 1.801 17.620 ( 0.043 -0.882 -5.866) 5.932 17.620 ( 0.043 0.882 -5.866) 5.932 18.334 ( -2.544 -1.432 3.917) 4.885 18.334 ( -2.544 1.432 3.917) 4.885 18.454 ( 3.390 -0.926 1.247) 3.728 18.454 ( 3.390 0.926 1.247) 3.728 ======================= Grid point 68 (39/48) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.456 -1.767 4.586) 4.936 1.035 ( -0.456 1.767 4.586) 4.936 1.142 ( -2.392 -1.192 17.570) 17.772 1.142 ( -2.392 1.192 17.570) 17.772 1.507 ( 1.880 -3.284 -2.394) 4.478 1.507 ( 1.880 3.284 -2.394) 4.478 1.627 ( -0.225 -4.984 2.965) 5.804 1.627 ( -0.225 4.984 2.965) 5.804 1.792 ( 1.492 -1.804 -2.473) 3.405 1.792 ( 1.492 1.804 -2.473) 3.405 1.934 ( 2.225 -1.575 -5.278) 5.941 1.934 ( 2.225 1.575 -5.278) 5.941 2.044 ( 3.702 -2.408 2.044) 4.867 2.044 ( 3.702 2.408 2.044) 4.867 2.206 ( 0.641 -3.494 -3.625) 5.075 2.206 ( 0.641 3.494 -3.625) 5.075 2.326 ( 2.980 -1.497 0.161) 3.339 2.326 ( 2.980 1.497 0.161) 3.339 2.519 ( -3.288 -5.479 5.315) 8.311 2.519 ( -3.288 5.479 5.315) 8.311 2.611 ( -0.839 -2.040 -4.108) 4.662 2.611 ( -0.839 2.040 -4.108) 4.662 2.696 ( -2.199 -3.209 1.793) 4.283 2.696 ( -2.199 3.209 1.793) 4.283 2.853 ( 1.217 -1.387 1.568) 2.422 2.853 ( 1.217 1.387 1.568) 2.422 2.964 ( -4.539 -3.616 1.972) 6.129 2.964 ( -4.539 3.616 1.972) 6.129 3.056 ( 1.028 -1.751 0.859) 2.205 3.056 ( 1.028 1.751 0.859) 2.205 3.169 ( -1.039 -2.502 -0.661) 2.788 3.169 ( -1.039 2.502 -0.661) 2.788 3.322 ( -1.088 -2.731 3.077) 4.255 3.322 ( -1.088 2.731 3.077) 4.255 3.401 ( 3.101 -4.828 6.443) 8.628 3.401 ( 3.101 4.828 6.443) 8.628 3.467 ( 0.122 -1.624 -1.258) 2.058 3.467 ( 0.122 1.624 -1.258) 2.058 3.558 ( 1.661 -3.579 1.355) 4.172 3.558 ( 1.661 3.579 1.355) 4.172 3.668 ( 0.727 -0.119 -6.921) 6.960 3.668 ( 0.727 0.119 -6.921) 6.960 3.829 ( 0.130 -1.675 -4.065) 4.399 3.829 ( 0.130 1.675 -4.065) 4.399 4.030 ( 0.005 -2.309 -0.945) 2.495 4.030 ( 0.005 2.309 -0.945) 2.495 4.108 ( -0.386 -3.184 1.285) 3.455 4.108 ( -0.386 3.184 1.285) 3.455 4.300 ( -0.604 -2.177 0.677) 2.359 4.300 ( -0.604 2.177 0.677) 2.359 4.409 ( 0.913 -0.903 -1.623) 2.070 4.409 ( 0.913 0.903 -1.623) 2.070 4.543 ( -1.939 -1.237 -4.008) 4.621 4.543 ( -1.939 1.237 -4.008) 4.621 4.741 ( 1.691 -3.419 1.649) 4.156 4.741 ( 1.691 3.419 1.649) 4.156 4.892 ( -0.721 -2.486 0.076) 2.590 4.892 ( -0.721 2.486 0.076) 2.590 4.962 ( -1.401 -1.218 -0.710) 1.988 4.962 ( -1.401 1.218 -0.710) 1.988 5.080 ( -0.345 -0.581 0.000) 0.676 5.080 ( -0.345 0.581 0.000) 0.676 5.244 ( 1.022 -1.041 -1.024) 1.782 5.244 ( 1.022 1.041 -1.024) 1.782 5.339 ( -0.162 -1.625 5.852) 6.075 5.339 ( -0.162 1.625 5.852) 6.075 5.521 ( -0.938 -1.549 0.920) 2.031 5.521 ( -0.938 1.549 0.920) 2.031 5.777 ( 1.156 -1.164 1.379) 2.143 5.777 ( 1.156 1.164 1.379) 2.143 5.942 ( -1.656 -2.603 -6.238) 6.959 5.942 ( -1.656 2.603 -6.238) 6.959 6.167 ( 1.046 -0.600 -0.331) 1.250 6.167 ( 1.046 0.600 -0.331) 1.250 6.371 ( 0.903 -2.035 -1.131) 2.497 6.371 ( 0.903 2.035 -1.131) 2.497 6.953 ( -1.137 -1.099 0.664) 1.714 6.953 ( -1.137 1.099 0.664) 1.714 7.087 ( 0.639 -2.313 -2.200) 3.255 7.087 ( 0.639 2.313 -2.200) 3.255 7.357 ( 0.701 -1.280 0.176) 1.470 7.357 ( 0.701 1.280 0.176) 1.470 7.380 ( -0.153 -0.562 -2.112) 2.191 7.380 ( -0.153 0.562 -2.112) 2.191 7.549 ( -0.427 -3.385 3.983) 5.245 7.549 ( -0.427 3.385 3.983) 5.245 7.683 ( 0.570 -0.996 -1.959) 2.270 7.683 ( 0.570 0.996 -1.959) 2.270 8.008 ( -0.507 -0.398 0.354) 0.735 8.008 ( -0.507 0.398 0.354) 0.735 8.103 ( -1.515 -0.548 -0.103) 1.615 8.103 ( -1.515 0.548 -0.103) 1.615 8.306 ( -0.275 -1.645 1.010) 1.950 8.306 ( -0.275 1.645 1.010) 1.950 8.447 ( 1.036 -1.146 3.105) 3.468 8.447 ( 1.036 1.146 3.105) 3.468 8.743 ( 0.701 -1.187 -1.213) 1.836 8.743 ( 0.701 1.187 -1.213) 1.836 8.813 ( -0.453 -1.096 -1.777) 2.136 8.813 ( -0.453 1.096 -1.777) 2.136 11.608 ( 0.474 -0.293 0.085) 0.564 11.608 ( 0.474 0.293 0.085) 0.564 11.725 ( -0.081 -1.029 1.127) 1.529 11.725 ( -0.081 1.029 1.127) 1.529 11.935 ( 0.326 -0.475 -0.355) 0.677 11.935 ( 0.326 0.475 -0.355) 0.677 11.981 ( -0.774 -0.066 -0.331) 0.844 11.981 ( -0.774 0.066 -0.331) 0.844 13.754 ( -1.663 -0.828 1.151) 2.185 13.754 ( -1.663 0.828 1.151) 2.185 13.933 ( 3.485 -1.465 4.277) 5.708 13.933 ( 3.485 1.465 4.277) 5.708 15.561 ( -0.356 -0.444 0.397) 0.694 15.561 ( -0.356 0.444 0.397) 0.694 15.668 ( 0.686 -1.231 -0.398) 1.465 15.668 ( 0.686 1.231 -0.398) 1.465 16.929 ( -0.175 -0.164 1.051) 1.079 16.929 ( -0.175 0.164 1.051) 1.079 17.055 ( 0.233 -0.769 -1.710) 1.889 17.055 ( 0.233 0.769 -1.710) 1.889 17.301 ( 0.327 -0.338 -0.412) 0.625 17.301 ( 0.327 0.338 -0.412) 0.625 17.412 ( -0.148 -2.059 1.372) 2.478 17.412 ( -0.148 2.059 1.372) 2.478 17.518 ( -1.585 -0.959 -1.349) 2.292 17.518 ( -1.585 0.959 -1.349) 2.292 17.625 ( 0.338 -0.764 -5.356) 5.421 17.625 ( 0.338 0.764 -5.356) 5.421 18.287 ( -1.599 -1.861 3.213) 4.043 18.287 ( -1.599 1.861 3.213) 4.043 18.531 ( 3.147 -2.156 1.318) 4.036 18.531 ( 3.147 2.156 1.318) 4.036 ======================= Grid point 75 (40/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 6.504 0.000 -7.376) 9.834 1.093 ( -6.504 0.000 7.376) 9.834 1.252 ( 6.490 0.000 -11.300) 13.031 1.252 ( -6.490 0.000 11.300) 13.031 1.582 ( 1.886 0.000 -3.709) 4.161 1.582 ( -1.886 0.000 3.709) 4.161 1.664 ( -1.461 0.000 -14.322) 14.396 1.664 ( 1.461 0.000 14.322) 14.396 1.839 ( 0.605 0.000 -0.989) 1.160 1.839 ( -0.605 0.000 0.989) 1.160 1.876 ( 4.079 0.000 -5.947) 7.211 1.876 ( -4.079 0.000 5.947) 7.211 2.107 ( 4.408 0.000 -1.545) 4.671 2.107 ( -4.408 0.000 1.545) 4.671 2.185 ( 1.750 0.000 -1.302) 2.181 2.185 ( -1.750 0.000 1.302) 2.181 2.369 ( -3.887 0.000 -2.014) 4.378 2.369 ( 3.887 0.000 2.014) 4.378 2.413 ( -8.521 0.000 1.298) 8.619 2.413 ( 8.521 0.000 -1.298) 8.619 2.614 ( -2.497 0.000 -2.341) 3.422 2.614 ( 2.497 0.000 2.341) 3.422 2.768 ( -3.699 0.000 -4.004) 5.452 2.768 ( 3.699 0.000 4.004) 5.452 2.849 ( -2.702 0.000 -1.621) 3.151 2.849 ( 2.702 0.000 1.621) 3.151 2.909 ( -1.518 0.000 -0.081) 1.520 2.909 ( 1.518 0.000 0.081) 1.520 3.129 ( 1.821 0.000 -1.957) 2.673 3.129 ( -1.821 0.000 1.957) 2.673 3.176 ( -0.178 0.000 -1.928) 1.936 3.176 ( 0.178 0.000 1.928) 1.936 3.299 ( 3.622 0.000 -2.970) 4.684 3.299 ( -3.622 0.000 2.970) 4.684 3.461 ( 1.559 0.000 -2.795) 3.200 3.461 ( -1.559 0.000 2.795) 3.200 3.521 ( -2.414 0.000 0.447) 2.456 3.521 ( 2.414 0.000 -0.447) 2.456 3.537 ( -0.261 0.000 -3.458) 3.468 3.537 ( 0.261 0.000 3.458) 3.468 3.609 ( -1.835 0.000 -5.548) 5.844 3.609 ( 1.835 0.000 5.548) 5.844 3.846 ( 0.297 0.000 -2.563) 2.580 3.846 ( -0.297 0.000 2.563) 2.580 3.964 ( -1.788 0.000 -0.464) 1.848 3.964 ( 1.788 0.000 0.464) 1.848 4.150 ( 1.121 0.000 -3.215) 3.405 4.150 ( -1.121 0.000 3.215) 3.405 4.325 ( -0.305 0.000 -8.450) 8.455 4.325 ( 0.305 0.000 8.450) 8.455 4.382 ( -1.415 0.000 -3.103) 3.410 4.382 ( 1.415 0.000 3.103) 3.410 4.502 ( -2.537 0.000 -0.937) 2.704 4.502 ( 2.537 0.000 0.937) 2.704 4.662 ( 2.777 0.000 -4.731) 5.486 4.662 ( -2.777 0.000 4.731) 5.486 4.945 ( -2.813 0.000 -1.385) 3.135 4.945 ( 2.813 0.000 1.385) 3.135 4.950 ( -0.000 0.000 -0.325) 0.325 4.950 ( 0.000 0.000 0.325) 0.325 5.086 ( -0.655 0.000 0.009) 0.655 5.086 ( 0.655 0.000 -0.009) 0.655 5.221 ( -1.419 0.000 -0.454) 1.490 5.221 ( 1.419 0.000 0.454) 1.490 5.450 ( -1.508 0.000 -5.719) 5.914 5.450 ( 1.508 0.000 5.719) 5.914 5.481 ( -1.324 0.000 -1.783) 2.221 5.481 ( 1.324 0.000 1.783) 2.221 5.699 ( -1.960 0.000 -4.479) 4.889 5.699 ( 1.960 0.000 4.479) 4.889 5.929 ( 2.655 0.000 -3.434) 4.341 5.929 ( -2.655 0.000 3.434) 4.341 6.235 ( -1.293 0.000 -1.994) 2.376 6.235 ( 1.293 0.000 1.994) 2.376 6.338 ( 0.107 0.000 -2.225) 2.227 6.338 ( -0.107 0.000 2.225) 2.227 6.924 ( -1.234 0.000 0.306) 1.271 6.924 ( 1.234 0.000 -0.306) 1.271 7.085 ( -0.337 0.000 -3.568) 3.584 7.085 ( 0.337 0.000 3.568) 3.584 7.340 ( 1.566 0.000 -1.806) 2.390 7.340 ( -1.566 0.000 1.806) 2.390 7.389 ( -1.916 0.000 0.528) 1.988 7.389 ( 1.916 0.000 -0.528) 1.988 7.575 ( -0.842 0.000 -5.731) 5.793 7.575 ( 0.842 0.000 5.731) 5.793 7.653 ( 1.220 0.000 -1.593) 2.006 7.653 ( -1.220 0.000 1.593) 2.006 8.044 ( 0.601 0.000 -0.578) 0.834 8.044 ( -0.601 0.000 0.578) 0.834 8.064 ( -0.949 0.000 0.251) 0.981 8.064 ( 0.949 0.000 -0.251) 0.981 8.326 ( -1.257 0.000 -1.467) 1.932 8.326 ( 1.257 0.000 1.467) 1.932 8.479 ( 0.883 0.000 -0.492) 1.011 8.479 ( -0.883 0.000 0.492) 1.011 8.767 ( 0.169 0.000 -1.151) 1.163 8.767 ( -0.169 0.000 1.151) 1.163 8.784 ( 0.216 0.000 -2.393) 2.402 8.784 ( -0.216 0.000 2.393) 2.402 11.600 ( -0.055 0.000 -0.225) 0.232 11.600 ( 0.055 0.000 0.225) 0.232 11.751 ( -0.185 0.000 -2.139) 2.147 11.751 ( 0.185 0.000 2.139) 2.147 11.928 ( 0.145 0.000 -0.478) 0.499 11.928 ( -0.145 0.000 0.478) 0.499 11.973 ( 0.310 0.000 -0.215) 0.377 11.973 ( -0.310 0.000 0.215) 0.377 13.738 ( -1.215 0.000 0.126) 1.221 13.738 ( 1.215 0.000 -0.126) 1.221 14.063 ( 2.378 0.000 -5.790) 6.260 14.063 ( -2.378 0.000 5.790) 6.260 15.552 ( -0.760 0.000 -0.254) 0.801 15.552 ( 0.760 0.000 0.254) 0.801 15.661 ( -1.327 0.000 -1.086) 1.715 15.661 ( 1.327 0.000 1.086) 1.715 16.953 ( -0.024 0.000 -0.935) 0.935 16.953 ( 0.024 0.000 0.935) 0.935 17.005 ( -0.213 0.000 -1.755) 1.768 17.005 ( 0.213 0.000 1.755) 1.768 17.275 ( -0.503 0.000 0.109) 0.515 17.275 ( 0.503 0.000 -0.109) 0.515 17.419 ( -1.270 0.000 -0.269) 1.299 17.419 ( 1.270 0.000 0.269) 1.299 17.499 ( -0.263 0.000 -3.479) 3.489 17.499 ( 0.263 0.000 3.479) 3.489 17.590 ( 0.147 0.000 -2.849) 2.853 17.590 ( -0.147 0.000 2.849) 2.853 18.290 ( -0.464 0.000 -1.870) 1.927 18.290 ( 0.464 0.000 1.870) 1.927 18.601 ( -0.597 0.000 -3.850) 3.896 18.601 ( 0.597 0.000 3.850) 3.896 ======================= Grid point 77 (41/48) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -3.522 0.000 0.146) 3.525 1.075 ( -4.004 0.000 -5.550) 6.844 1.275 ( 4.437 0.000 7.293) 8.536 1.364 ( 1.492 0.000 -3.682) 3.973 1.506 ( -3.239 0.000 4.811) 5.799 1.528 ( -5.813 0.000 1.563) 6.020 1.658 ( -5.101 0.000 -10.790) 11.935 1.754 ( 5.305 0.000 9.688) 11.046 1.771 ( 0.848 0.000 -0.695) 1.096 1.792 ( -4.552 0.000 6.003) 7.534 1.806 ( -1.437 0.000 -0.596) 1.556 1.881 ( -2.320 0.000 -4.933) 5.451 2.042 ( -6.585 0.000 -2.387) 7.005 2.052 ( 0.207 0.000 2.047) 2.058 2.204 ( -1.203 0.000 1.770) 2.140 2.247 ( 4.033 0.000 2.926) 4.983 2.307 ( -1.657 0.000 1.561) 2.277 2.368 ( 3.309 0.000 -2.807) 4.339 2.467 ( 3.687 0.000 4.689) 5.965 2.557 ( 2.278 0.000 -0.232) 2.289 2.576 ( -0.806 0.000 -0.253) 0.845 2.627 ( -1.511 0.000 4.991) 5.215 2.727 ( 2.263 0.000 -8.619) 8.911 2.795 ( -2.279 0.000 -2.078) 3.084 2.808 ( 0.868 0.000 3.182) 3.298 2.895 ( 1.664 0.000 0.290) 1.689 2.953 ( 0.064 0.000 -1.908) 1.909 2.958 ( 6.048 0.000 -3.655) 7.067 3.069 ( -2.640 0.000 1.304) 2.945 3.124 ( -1.689 0.000 0.593) 1.790 3.160 ( -1.960 0.000 -1.108) 2.251 3.171 ( -0.063 0.000 -3.419) 3.419 3.272 ( 1.759 0.000 -0.578) 1.851 3.365 ( 1.825 0.000 -1.398) 2.299 3.411 ( -3.804 0.000 0.843) 3.896 3.463 ( -1.880 0.000 -0.894) 2.082 3.468 ( -0.376 0.000 0.314) 0.489 3.534 ( 0.596 0.000 -0.078) 0.601 3.549 ( 0.310 0.000 3.220) 3.235 3.563 ( -0.079 0.000 3.710) 3.711 3.603 ( 1.828 0.000 -4.702) 5.045 3.651 ( 1.948 0.000 3.426) 3.941 3.831 ( -1.144 0.000 1.239) 1.686 3.840 ( -0.936 0.000 -2.549) 2.716 3.929 ( -1.080 0.000 -1.606) 1.935 3.976 ( -0.924 0.000 0.786) 1.213 4.128 ( -0.660 0.000 3.971) 4.025 4.158 ( -0.531 0.000 -3.570) 3.609 4.347 ( 0.294 0.000 4.312) 4.322 4.347 ( 1.990 0.000 -6.601) 6.895 4.367 ( 1.200 0.000 -2.327) 2.618 4.399 ( -0.186 0.000 2.195) 2.203 4.467 ( 0.085 0.000 -0.066) 0.108 4.541 ( 0.805 0.000 2.082) 2.232 4.609 ( -1.977 0.000 5.619) 5.956 4.692 ( -0.772 0.000 -4.580) 4.644 4.913 ( -0.243 0.000 0.908) 0.940 4.931 ( -1.382 0.000 -0.748) 1.572 4.945 ( 0.765 0.000 -1.534) 1.714 4.995 ( 1.407 0.000 0.420) 1.468 5.103 ( 1.914 0.000 0.578) 1.999 5.114 ( 1.453 0.000 -1.099) 1.822 5.186 ( -1.498 0.000 0.561) 1.599 5.237 ( -0.056 0.000 1.391) 1.392 5.433 ( -0.211 0.000 -4.881) 4.886 5.461 ( -0.619 0.000 -2.054) 2.145 5.500 ( 2.930 0.000 4.904) 5.713 5.518 ( 1.924 0.000 -0.374) 1.960 5.677 ( -0.072 0.000 0.485) 0.491 5.757 ( 3.078 0.000 8.344) 8.894 5.867 ( -2.781 0.000 2.309) 3.615 5.967 ( 0.727 0.000 -6.763) 6.802 6.175 ( -3.415 0.000 -4.265) 5.464 6.215 ( -2.620 0.000 -2.887) 3.899 6.346 ( 0.335 0.000 -1.385) 1.425 6.347 ( 0.564 0.000 5.132) 5.163 6.920 ( 0.816 0.000 0.295) 0.868 6.961 ( 1.795 0.000 -0.414) 1.842 7.070 ( -0.920 0.000 -3.340) 3.464 7.082 ( -0.497 0.000 3.465) 3.501 7.312 ( -0.816 0.000 2.010) 2.169 7.354 ( -1.299 0.000 0.316) 1.337 7.367 ( 0.933 0.000 -0.775) 1.213 7.421 ( 0.760 0.000 -0.010) 0.760 7.555 ( -0.820 0.000 -5.679) 5.738 7.571 ( -1.286 0.000 4.240) 4.431 7.646 ( 0.724 0.000 3.446) 3.521 7.672 ( 0.381 0.000 -1.458) 1.507 8.021 ( -0.761 0.000 -0.212) 0.790 8.022 ( -0.965 0.000 -0.527) 1.099 8.101 ( 2.639 0.000 -0.249) 2.650 8.114 ( 2.705 0.000 0.512) 2.754 8.309 ( -0.293 0.000 -1.754) 1.778 8.355 ( 1.181 0.000 0.891) 1.480 8.451 ( -1.516 0.000 0.641) 1.646 8.485 ( -0.286 0.000 -0.507) 0.582 8.740 ( -1.415 0.000 0.976) 1.719 8.745 ( -1.389 0.000 -2.180) 2.585 8.799 ( 0.781 0.000 2.296) 2.425 8.806 ( 0.970 0.000 -1.458) 1.751 11.593 ( -0.521 0.000 0.550) 0.758 11.595 ( -0.425 0.000 0.910) 1.004 11.746 ( -0.168 0.000 -2.327) 2.333 11.751 ( -0.156 0.000 0.877) 0.891 11.920 ( -0.414 0.000 0.388) 0.567 11.922 ( -0.501 0.000 -0.781) 0.927 11.983 ( 1.018 0.000 0.333) 1.071 11.991 ( 1.053 0.000 0.091) 1.057 13.732 ( 0.658 0.000 0.524) 0.841 13.782 ( 2.860 0.000 0.666) 2.936 13.973 ( -5.364 0.000 2.448) 5.896 14.059 ( -2.501 0.000 -6.101) 6.594 15.545 ( -0.017 0.000 -0.519) 0.519 15.579 ( 1.607 0.000 -0.604) 1.717 15.626 ( -1.767 0.000 -0.417) 1.816 15.677 ( 0.068 0.000 1.042) 1.044 16.940 ( -0.852 0.000 -0.475) 0.976 16.942 ( -0.752 0.000 1.438) 1.623 17.015 ( 0.925 0.000 -2.137) 2.329 17.022 ( 1.075 0.000 1.245) 1.644 17.263 ( -0.443 0.000 -0.076) 0.450 17.279 ( -0.156 0.000 -0.272) 0.314 17.416 ( 0.962 0.000 -0.282) 1.003 17.462 ( 2.498 0.000 1.002) 2.691 17.498 ( 0.275 0.000 -2.013) 2.031 17.504 ( 0.073 0.000 5.399) 5.399 17.577 ( -1.142 0.000 2.164) 2.447 17.585 ( -0.578 0.000 -3.687) 3.732 18.303 ( 1.771 0.000 -1.823) 2.542 18.320 ( 2.364 0.000 1.514) 2.807 18.550 ( -3.865 0.000 -2.320) 4.508 18.571 ( -3.223 0.000 3.110) 4.478 ======================= Grid point 78 (42/48) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 6.076 0.000 -1.713) 6.313 1.084 ( 5.093 0.000 -0.094) 5.094 1.200 ( -11.059 0.000 -0.864) 11.092 1.260 ( -9.145 0.000 2.203) 9.407 1.446 ( 0.652 0.000 8.776) 8.800 1.473 ( -1.194 0.000 -3.378) 3.583 1.617 ( 1.445 0.000 -14.548) 14.619 1.685 ( -4.734 0.000 11.608) 12.536 1.795 ( 1.238 0.000 -0.534) 1.349 1.808 ( 0.084 0.000 4.195) 4.196 1.822 ( 1.614 0.000 -3.816) 4.143 1.878 ( -2.198 0.000 -2.788) 3.550 1.959 ( 3.587 0.000 2.434) 4.335 2.070 ( -2.250 0.000 1.032) 2.476 2.159 ( 0.705 0.000 3.453) 3.524 2.243 ( -4.266 0.000 -2.431) 4.910 2.368 ( 6.023 0.000 2.020) 6.353 2.448 ( 3.965 0.000 0.212) 3.971 2.479 ( -2.960 0.000 2.766) 4.051 2.511 ( -2.996 0.000 -1.024) 3.166 2.591 ( 2.555 0.000 -0.149) 2.559 2.664 ( 1.141 0.000 2.886) 3.104 2.707 ( -2.410 0.000 -2.978) 3.831 2.778 ( -3.909 0.000 -0.122) 3.911 2.819 ( 4.342 0.000 -4.676) 6.381 2.902 ( -3.308 0.000 1.030) 3.465 2.973 ( 5.199 0.000 1.577) 5.433 3.029 ( 1.013 0.000 -1.765) 2.034 3.071 ( -2.747 0.000 2.544) 3.744 3.075 ( -3.232 0.000 -0.939) 3.366 3.155 ( 5.401 0.000 -3.639) 6.512 3.197 ( 1.369 0.000 -6.107) 6.259 3.308 ( 0.183 0.000 1.036) 1.052 3.320 ( -2.681 0.000 5.570) 6.181 3.411 ( 1.873 0.000 -5.980) 6.266 3.428 ( -0.444 0.000 -0.229) 0.499 3.460 ( -0.977 0.000 7.352) 7.416 3.488 ( -3.403 0.000 -2.243) 4.076 3.563 ( 1.307 0.000 0.967) 1.626 3.584 ( 0.001 0.000 0.516) 0.516 3.650 ( 2.756 0.000 0.283) 2.771 3.681 ( 0.415 0.000 0.459) 0.619 3.805 ( -0.940 0.000 0.040) 0.941 3.810 ( -1.455 0.000 -1.509) 2.096 3.924 ( 0.494 0.000 -1.667) 1.738 3.945 ( -1.466 0.000 1.254) 1.929 4.124 ( 0.223 0.000 4.426) 4.431 4.138 ( -1.001 0.000 -4.023) 4.146 4.338 ( -0.168 0.000 -3.013) 3.018 4.348 ( -1.057 0.000 2.924) 3.109 4.415 ( 2.045 0.000 1.646) 2.625 4.425 ( 1.435 0.000 -3.622) 3.896 4.491 ( 1.783 0.000 -0.793) 1.951 4.531 ( -1.592 0.000 2.656) 3.097 4.594 ( 0.917 0.000 5.799) 5.871 4.643 ( -3.047 0.000 -5.163) 5.995 4.906 ( -0.170 0.000 1.911) 1.919 4.910 ( -0.530 0.000 -1.769) 1.846 4.991 ( 2.096 0.000 -0.713) 2.214 5.009 ( 0.104 0.000 -0.434) 0.446 5.130 ( 0.289 0.000 -0.795) 0.846 5.134 ( 0.499 0.000 1.191) 1.291 5.185 ( 1.431 0.000 -0.345) 1.472 5.220 ( -1.452 0.000 1.171) 1.865 5.435 ( 0.347 0.000 -2.850) 2.871 5.447 ( -0.733 0.000 0.087) 0.738 5.550 ( 1.246 0.000 2.318) 2.632 5.551 ( 0.985 0.000 -1.048) 1.438 5.701 ( 2.335 0.000 3.514) 4.219 5.761 ( -2.773 0.000 -2.126) 3.494 5.877 ( 3.643 0.000 12.732) 13.243 5.950 ( -2.444 0.000 -11.734) 11.985 6.127 ( -0.512 0.000 -0.260) 0.574 6.154 ( -2.584 0.000 -2.992) 3.953 6.351 ( 0.206 0.000 -3.070) 3.077 6.353 ( 0.031 0.000 4.685) 4.685 6.949 ( 1.680 0.000 0.201) 1.692 6.977 ( -0.544 0.000 -0.081) 0.550 7.059 ( 0.138 0.000 -3.513) 3.515 7.069 ( -0.665 0.000 3.336) 3.402 7.310 ( 0.554 0.000 2.006) 2.082 7.329 ( -1.107 0.000 -1.059) 1.532 7.389 ( 1.311 0.000 0.362) 1.360 7.417 ( -1.022 0.000 -0.434) 1.110 7.543 ( -0.281 0.000 -5.327) 5.335 7.547 ( -0.721 0.000 4.529) 4.586 7.663 ( 0.630 0.000 3.167) 3.230 7.672 ( -0.248 0.000 -1.949) 1.965 8.011 ( -0.156 0.000 -0.145) 0.213 8.012 ( -0.200 0.000 -0.241) 0.313 8.151 ( 1.701 0.000 -0.765) 1.866 8.158 ( 1.119 0.000 0.997) 1.499 8.317 ( 1.113 0.000 -1.518) 1.882 8.352 ( -1.660 0.000 0.923) 1.899 8.441 ( 0.929 0.000 0.612) 1.113 8.468 ( -1.211 0.000 -0.540) 1.326 8.719 ( -0.513 0.000 1.282) 1.381 8.721 ( -0.692 0.000 -1.845) 1.971 8.812 ( 0.485 0.000 1.861) 1.923 8.817 ( 0.094 0.000 -1.532) 1.535 11.584 ( -0.213 0.000 0.424) 0.474 11.586 ( -0.365 0.000 0.462) 0.589 11.745 ( 0.027 0.000 -1.403) 1.404 11.747 ( -0.183 0.000 0.504) 0.536 11.914 ( -0.172 0.000 0.587) 0.611 11.914 ( -0.211 0.000 -0.748) 0.778 12.004 ( 0.696 0.000 0.051) 0.698 12.008 ( 0.366 0.000 0.130) 0.388 13.766 ( 2.569 0.000 0.564) 2.630 13.827 ( -1.411 0.000 0.798) 1.621 13.894 ( 1.107 0.000 1.139) 1.588 13.977 ( -4.665 0.000 -3.907) 6.085 15.553 ( 0.818 0.000 -0.003) 0.818 15.579 ( -1.545 0.000 -0.952) 1.815 15.628 ( 1.878 0.000 0.116) 1.882 15.664 ( -1.269 0.000 0.627) 1.416 16.927 ( -0.277 0.000 -0.689) 0.743 16.929 ( -0.415 0.000 1.094) 1.170 17.034 ( 0.678 0.000 -1.889) 2.007 17.039 ( 0.307 0.000 1.483) 1.514 17.260 ( 0.177 0.000 0.023) 0.178 17.270 ( -0.611 0.000 -0.209) 0.646 17.452 ( 2.222 0.000 -1.594) 2.734 17.494 ( -1.316 0.000 4.453) 4.643 17.510 ( 1.552 0.000 1.082) 1.892 17.510 ( 0.751 0.000 -1.876) 2.021 17.551 ( -0.736 0.000 3.438) 3.516 17.565 ( -1.250 0.000 -4.072) 4.259 18.361 ( 3.615 0.000 -1.235) 3.820 18.385 ( 3.574 0.000 0.893) 3.684 18.457 ( -4.342 0.000 -0.465) 4.367 18.484 ( -4.571 0.000 1.062) 4.693 ======================= Grid point 81 (43/48) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.403 -1.375 -7.208) 7.722 1.071 ( -2.403 -1.375 7.208) 7.722 1.301 ( 3.603 3.908 -11.923) 13.054 1.301 ( -3.603 3.908 11.923) 13.054 1.536 ( -4.498 -3.127 -1.746) 5.749 1.536 ( 4.498 -3.127 1.746) 5.749 1.629 ( -1.161 -3.362 -4.831) 5.999 1.629 ( 1.161 -3.362 4.831) 5.999 1.827 ( 0.870 -1.146 -4.040) 4.288 1.827 ( -0.870 -1.146 4.040) 4.288 1.906 ( -1.042 2.597 -0.216) 2.807 1.906 ( 1.042 2.597 0.216) 2.807 2.125 ( -2.525 0.995 -1.573) 3.137 2.125 ( 2.525 0.995 1.573) 3.137 2.174 ( -3.503 -0.594 -3.842) 5.233 2.174 ( 3.503 -0.594 3.842) 5.233 2.375 ( -0.649 -0.338 -1.778) 1.922 2.375 ( 0.649 -0.338 1.778) 1.922 2.450 ( 3.096 4.058 -4.097) 6.545 2.450 ( -3.096 4.058 4.097) 6.545 2.622 ( -0.107 0.286 -2.348) 2.367 2.622 ( 0.107 0.286 2.348) 2.367 2.702 ( -3.736 -5.091 -2.383) 6.749 2.702 ( 3.736 -5.091 2.383) 6.749 2.837 ( -1.344 -1.316 -2.707) 3.296 2.837 ( 1.344 -1.316 2.707) 3.296 2.914 ( 0.183 0.046 -0.623) 0.651 2.914 ( -0.183 0.046 0.623) 0.651 3.103 ( -2.413 -0.153 -0.724) 2.524 3.103 ( 2.413 -0.153 0.724) 2.524 3.193 ( 0.670 0.643 -1.804) 2.029 3.193 ( -0.670 0.643 1.804) 2.029 3.338 ( 1.646 2.066 -7.384) 7.842 3.338 ( -1.646 2.066 7.384) 7.842 3.450 ( -1.546 -0.360 -4.751) 5.010 3.450 ( 1.546 -0.360 4.751) 5.010 3.522 ( 1.309 0.388 -3.044) 3.336 3.522 ( -1.309 0.388 3.044) 3.336 3.554 ( -0.032 0.128 -2.461) 2.464 3.554 ( 0.032 0.128 2.461) 2.464 3.608 ( -1.739 0.571 -0.649) 1.942 3.608 ( 1.739 0.571 0.649) 1.942 3.809 ( -0.373 -3.051 -1.918) 3.623 3.809 ( 0.373 -3.051 1.918) 3.623 3.991 ( -1.382 2.051 -0.579) 2.540 3.991 ( 1.382 2.051 0.579) 2.540 4.143 ( -0.067 -0.936 -2.026) 2.233 4.143 ( 0.067 -0.936 2.026) 2.233 4.306 ( 0.075 -0.353 -5.209) 5.222 4.306 ( -0.075 -0.353 5.209) 5.222 4.395 ( -1.388 -0.082 -3.906) 4.146 4.395 ( 1.388 -0.082 3.906) 4.146 4.476 ( -1.550 -1.002 -2.192) 2.865 4.476 ( 1.550 -1.002 2.192) 2.865 4.723 ( 1.132 4.415 -3.632) 5.828 4.723 ( -1.132 4.415 3.632) 5.828 4.905 ( -2.053 -2.949 -1.836) 4.035 4.905 ( 2.053 -2.949 1.836) 4.035 4.958 ( 0.278 0.182 -0.768) 0.837 4.958 ( -0.278 0.182 0.768) 0.837 5.084 ( -0.302 -0.231 -0.482) 0.614 5.084 ( 0.302 -0.231 0.482) 0.614 5.231 ( -0.563 0.745 -0.558) 1.088 5.231 ( 0.563 0.745 0.558) 1.088 5.452 ( -1.189 0.222 -4.641) 4.796 5.452 ( 1.189 0.222 4.641) 4.796 5.476 ( -0.817 -0.372 -2.842) 2.981 5.476 ( 0.817 -0.372 2.842) 2.981 5.705 ( -1.217 0.304 -3.078) 3.324 5.705 ( 1.217 0.304 3.078) 3.324 5.928 ( 1.961 -0.126 -2.368) 3.078 5.928 ( -1.961 -0.126 2.368) 3.078 6.233 ( -0.946 -0.114 -1.268) 1.586 6.233 ( 0.946 -0.114 1.268) 1.586 6.338 ( 0.016 -0.010 -1.619) 1.619 6.338 ( -0.016 -0.010 1.619) 1.619 6.934 ( -0.379 0.787 -0.920) 1.269 6.934 ( 0.379 0.787 0.920) 1.269 7.076 ( -0.286 -0.623 -2.541) 2.632 7.076 ( 0.286 -0.623 2.541) 2.632 7.345 ( 1.108 0.439 -1.753) 2.120 7.345 ( -1.108 0.439 1.753) 2.120 7.381 ( 1.587 -0.743 -0.722) 1.895 7.381 ( -1.587 -0.743 0.722) 1.895 7.586 ( -0.963 0.764 -4.149) 4.327 7.586 ( 0.963 0.764 4.149) 4.327 7.654 ( -0.443 0.140 -0.726) 0.862 7.654 ( 0.443 0.140 0.726) 0.862 8.026 ( 1.033 -1.222 -0.492) 1.674 8.026 ( -1.033 -1.222 0.492) 1.674 8.072 ( -0.392 0.438 -0.693) 0.909 8.072 ( 0.392 0.438 0.693) 0.909 8.317 ( -0.899 -0.637 -0.915) 1.433 8.317 ( 0.899 -0.637 0.915) 1.433 8.489 ( -0.159 0.739 -1.007) 1.259 8.489 ( 0.159 0.739 1.007) 1.259 8.755 ( -0.307 -0.745 -0.726) 1.085 8.755 ( 0.307 -0.745 0.726) 1.085 8.784 ( 0.067 -0.178 -1.540) 1.552 8.784 ( -0.067 -0.178 1.540) 1.552 11.604 ( -0.049 0.291 -0.291) 0.414 11.604 ( 0.049 0.291 0.291) 0.414 11.745 ( -0.063 -0.421 -1.448) 1.509 11.745 ( 0.063 -0.421 1.448) 1.509 11.933 ( 0.021 0.359 -0.333) 0.490 11.933 ( -0.021 0.359 0.333) 0.490 11.970 ( 0.163 -0.276 -0.196) 0.375 11.970 ( -0.163 -0.276 0.196) 0.375 13.741 ( -0.884 0.283 0.103) 0.934 13.741 ( 0.884 0.283 -0.103) 0.934 14.042 ( 1.504 -1.580 -3.953) 4.515 14.042 ( -1.504 -1.580 3.953) 4.515 15.559 ( -0.505 0.521 -0.122) 0.736 15.559 ( 0.505 0.521 0.122) 0.736 15.665 ( -0.922 0.284 -0.775) 1.238 15.665 ( 0.922 0.284 0.775) 1.238 16.946 ( 0.393 -0.362 -0.900) 1.047 16.946 ( -0.393 -0.362 0.900) 1.047 17.020 ( 0.190 1.037 -1.249) 1.635 17.020 ( -0.190 1.037 1.249) 1.635 17.288 ( 0.141 1.136 -0.211) 1.164 17.288 ( -0.141 1.136 0.211) 1.164 17.421 ( -0.654 0.048 -0.832) 1.060 17.421 ( 0.654 0.048 0.832) 1.060 17.496 ( -0.358 -0.176 -2.351) 2.384 17.496 ( 0.358 -0.176 2.351) 2.384 17.580 ( 0.210 -0.842 -2.235) 2.398 17.580 ( -0.210 -0.842 2.235) 2.398 18.295 ( -0.350 0.451 -1.423) 1.534 18.295 ( 0.350 0.451 1.423) 1.534 18.588 ( -0.393 -0.983 -2.682) 2.883 18.588 ( 0.393 -0.983 2.682) 2.883 ======================= Grid point 83 (44/48) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -1.075 3.221 1.263) 3.623 1.136 ( 0.320 3.009 -8.350) 8.881 1.264 ( 2.196 0.954 10.989) 11.247 1.380 ( 0.877 1.586 -6.202) 6.461 1.440 ( -3.768 -2.742 2.912) 5.495 1.583 ( -2.577 0.241 -1.841) 3.176 1.618 ( -1.560 -3.395 -3.962) 5.445 1.679 ( 4.837 -5.567 6.159) 9.608 1.722 ( -4.729 -0.811 7.248) 8.692 1.778 ( -3.347 -0.855 1.359) 3.712 1.863 ( -2.078 3.225 -2.719) 4.702 1.903 ( -2.084 0.168 -5.004) 5.423 2.021 ( -5.711 0.027 0.524) 5.735 2.092 ( -2.132 1.789 -1.325) 3.082 2.170 ( -1.361 -2.577 1.842) 3.448 2.235 ( 0.679 -2.643 0.966) 2.894 2.306 ( -2.934 0.723 0.949) 3.167 2.367 ( 0.468 -0.567 0.650) 0.982 2.467 ( 2.019 -1.061 4.125) 4.714 2.516 ( 2.123 1.929 -3.622) 4.620 2.579 ( -3.777 -2.696 3.325) 5.709 2.647 ( 1.658 0.616 2.410) 2.990 2.697 ( 2.971 -1.661 -4.137) 5.357 2.774 ( 2.340 -2.660 2.169) 4.154 2.806 ( 1.291 1.988 1.320) 2.713 2.926 ( 4.086 -1.740 -3.012) 5.366 2.938 ( 3.388 2.402 -1.555) 4.435 2.978 ( 2.516 2.251 -1.593) 3.733 3.054 ( -0.375 0.579 -2.959) 3.038 3.151 ( -0.462 -0.729 -0.988) 1.312 3.186 ( 0.916 1.011 -3.403) 3.667 3.209 ( 0.506 2.017 0.631) 2.173 3.279 ( -2.309 2.489 4.098) 5.322 3.352 ( 0.276 -0.992 -6.733) 6.811 3.394 ( -3.921 -0.074 4.079) 5.659 3.446 ( -0.824 -1.942 3.341) 3.952 3.473 ( -1.602 0.983 3.607) 4.067 3.545 ( -1.156 0.461 -1.346) 1.833 3.546 ( -0.982 -0.687 -2.869) 3.109 3.565 ( 0.546 -2.313 -4.273) 4.890 3.588 ( 1.132 1.289 4.471) 4.789 3.641 ( 0.818 -0.825 0.233) 1.185 3.793 ( -0.677 -2.350 -1.445) 2.841 3.830 ( 0.619 -1.515 -0.132) 1.642 3.954 ( -0.915 2.535 -0.855) 2.828 4.015 ( -0.284 2.820 0.290) 2.849 4.133 ( -0.742 -2.413 -1.460) 2.916 4.136 ( -0.538 -0.074 2.659) 2.714 4.323 ( 1.483 -0.498 4.333) 4.606 4.327 ( 1.566 -0.359 -5.752) 5.972 4.387 ( 0.620 0.725 -4.666) 4.762 4.429 ( -1.157 -1.620 -1.178) 2.313 4.435 ( 1.143 1.106 4.337) 4.620 4.502 ( 0.563 -1.988 3.674) 4.215 4.679 ( -1.634 4.544 2.794) 5.579 4.741 ( -1.340 3.369 -2.629) 4.478 4.891 ( 1.090 -1.737 -0.803) 2.203 4.926 ( -0.966 -0.272 0.165) 1.017 4.952 ( 0.495 0.110 -0.508) 0.718 4.973 ( 1.689 -1.505 0.746) 2.382 5.092 ( 1.184 -0.596 -0.472) 1.407 5.103 ( 1.002 -0.907 -0.802) 1.571 5.203 ( -1.299 1.182 0.989) 2.016 5.235 ( -0.634 -0.235 0.952) 1.167 5.438 ( -0.242 0.461 -4.966) 4.994 5.462 ( -0.284 -0.043 -2.672) 2.688 5.492 ( 1.878 -0.703 3.146) 3.731 5.503 ( 1.516 -0.794 2.188) 2.778 5.700 ( 0.834 1.642 2.509) 3.113 5.750 ( 2.885 -0.661 7.744) 8.290 5.882 ( -2.098 1.432 -0.271) 2.555 5.954 ( 0.385 -1.238 -6.392) 6.522 6.182 ( -3.011 0.693 -3.304) 4.523 6.212 ( -2.449 -0.327 -2.717) 3.672 6.339 ( 0.093 -0.278 1.113) 1.151 6.346 ( 0.274 -0.292 2.301) 2.336 6.935 ( 0.967 1.290 0.081) 1.614 6.968 ( 1.891 0.354 0.159) 1.930 7.062 ( -1.024 -0.496 -2.140) 2.423 7.074 ( -0.485 -0.657 2.016) 2.175 7.317 ( -0.873 0.509 1.974) 2.218 7.349 ( -0.867 -0.601 1.460) 1.802 7.365 ( 0.273 0.147 -1.671) 1.700 7.407 ( 0.433 -1.268 -0.347) 1.384 7.571 ( -0.407 1.341 -3.875) 4.121 7.600 ( -0.621 2.353 3.045) 3.898 7.630 ( 0.318 -1.106 0.937) 1.484 7.676 ( 0.410 -0.179 -0.171) 0.479 8.003 ( -0.396 -0.525 0.628) 0.909 8.029 ( -0.477 -0.511 -0.684) 0.978 8.100 ( 2.572 -0.065 -0.373) 2.599 8.108 ( 2.044 -0.183 0.317) 2.076 8.306 ( 0.032 -0.014 -0.754) 0.754 8.341 ( 1.235 -1.228 0.640) 1.856 8.464 ( -1.653 1.046 -0.093) 1.959 8.487 ( -0.751 0.051 -0.058) 0.755 8.732 ( -1.146 -0.397 -0.162) 1.224 8.741 ( -1.289 -0.487 -0.893) 1.642 8.792 ( 0.865 -0.283 1.252) 1.548 8.804 ( 0.814 -0.395 -0.624) 1.099 11.597 ( -0.502 0.316 0.455) 0.747 11.599 ( -0.438 0.259 0.973) 1.098 11.742 ( -0.030 -0.206 -0.891) 0.915 11.748 ( 0.079 -0.292 -0.437) 0.532 11.925 ( -0.431 0.440 -0.160) 0.636 11.928 ( -0.421 0.398 -0.226) 0.621 11.980 ( 0.920 -0.285 0.295) 1.008 11.985 ( 0.953 -0.496 0.051) 1.076 13.740 ( 0.803 0.781 0.528) 1.238 13.777 ( 2.351 -0.530 0.612) 2.487 13.971 ( -4.407 0.071 1.209) 4.570 14.032 ( -2.398 -2.243 -4.248) 5.369 15.553 ( 0.078 0.790 -0.464) 0.920 15.579 ( 1.127 -0.088 -0.815) 1.394 15.639 ( -1.372 1.055 -0.136) 1.736 15.673 ( -0.179 -0.361 0.831) 0.924 16.936 ( -0.343 0.179 0.360) 0.528 16.951 ( -0.165 0.138 -0.480) 0.526 17.012 ( 0.189 0.462 0.391) 0.634 17.035 ( 0.489 0.374 -0.015) 0.616 17.278 ( -0.471 1.229 -0.056) 1.317 17.290 ( -0.205 0.872 -0.396) 0.980 17.421 ( 0.926 0.439 -0.537) 1.157 17.454 ( 1.683 -1.093 0.451) 2.057 17.490 ( 0.470 0.372 1.349) 1.476 17.513 ( 0.682 0.074 2.539) 2.630 17.564 ( -1.215 -0.892 1.520) 2.141 17.575 ( -0.588 -0.884 -3.089) 3.266 18.310 ( 1.745 0.575 -1.452) 2.342 18.323 ( 2.174 0.139 1.121) 2.450 18.544 ( -3.498 -0.431 -1.596) 3.869 18.558 ( -3.054 -1.037 2.161) 3.883 ======================= Grid point 84 (45/48) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 5.775 5.414 -1.077) 7.989 1.176 ( 4.470 6.991 -1.966) 8.527 1.221 ( -8.479 2.770 1.108) 8.989 1.300 ( -5.098 1.426 1.412) 5.479 1.430 ( 0.871 -1.248 1.282) 1.989 1.473 ( -3.390 -0.090 3.241) 4.691 1.632 ( 1.472 1.578 -12.998) 13.176 1.663 ( -1.783 -0.870 9.645) 9.847 1.726 ( 0.742 -3.558 2.662) 4.505 1.774 ( 0.265 -2.456 -0.074) 2.471 1.828 ( -0.884 -1.618 -2.983) 3.507 1.878 ( -1.647 -0.630 1.668) 2.428 1.926 ( 1.634 -2.094 -0.778) 2.767 2.042 ( -5.368 -3.659 0.474) 6.513 2.137 ( 1.230 -3.050 2.523) 4.145 2.198 ( -3.438 -5.071 -1.676) 6.352 2.294 ( 1.552 -1.709 1.280) 2.639 2.344 ( -2.569 -5.045 -1.168) 5.781 2.502 ( 1.942 0.654 3.318) 3.900 2.531 ( -1.112 -1.417 0.474) 1.863 2.596 ( 4.677 2.992 -1.681) 5.801 2.693 ( -2.115 1.034 1.614) 2.855 2.717 ( 2.835 1.696 2.354) 4.057 2.786 ( -1.822 -0.245 -0.853) 2.027 2.856 ( 3.662 2.591 -2.006) 4.914 2.926 ( -2.471 0.907 -1.846) 3.215 2.992 ( 1.977 1.088 -0.476) 2.306 3.052 ( -2.749 -1.575 -0.862) 3.283 3.064 ( 3.702 3.716 -2.924) 6.005 3.143 ( -1.763 5.336 3.469) 6.604 3.163 ( 2.672 1.490 -4.046) 5.073 3.233 ( 0.920 2.107 -1.746) 2.887 3.304 ( 1.152 -0.402 0.279) 1.251 3.311 ( -2.326 0.500 3.727) 4.421 3.370 ( 2.076 -2.642 -3.438) 4.807 3.429 ( -1.928 -2.055 3.123) 4.206 3.451 ( 0.223 0.538 4.334) 4.373 3.491 ( -3.057 -0.398 -3.559) 4.708 3.542 ( 0.949 -1.674 2.380) 3.061 3.568 ( -0.512 -2.654 -3.531) 4.447 3.615 ( 0.975 -2.212 2.540) 3.507 3.637 ( -1.130 -2.933 -1.975) 3.712 3.793 ( 1.015 0.186 0.006) 1.032 3.822 ( -1.245 0.269 -0.470) 1.357 3.959 ( 1.109 3.020 -1.127) 3.408 3.990 ( -1.661 3.413 0.719) 3.863 4.121 ( -0.232 -2.101 -1.937) 2.867 4.125 ( -0.513 -0.692 2.629) 2.767 4.337 ( 0.137 -0.012 -0.069) 0.153 4.345 ( -0.432 -0.130 0.842) 0.955 4.410 ( 1.855 0.183 -4.159) 4.558 4.436 ( 0.466 0.929 1.049) 1.476 4.461 ( 1.736 -1.800 -1.912) 3.148 4.500 ( -1.040 -1.734 4.506) 4.939 4.662 ( 0.289 4.386 3.551) 5.651 4.693 ( -2.379 3.479 -3.161) 5.268 4.904 ( 0.132 -0.586 -0.892) 1.075 4.910 ( -0.492 0.081 0.869) 1.001 4.985 ( 1.745 -0.186 -1.027) 2.033 4.999 ( 0.449 -0.694 0.483) 0.958 5.117 ( 0.836 -0.937 -0.129) 1.263 5.122 ( 0.647 -1.286 -0.347) 1.481 5.190 ( 0.256 0.397 0.492) 0.682 5.210 ( -1.386 -0.718 0.621) 1.680 5.438 ( 0.273 0.406 -3.382) 3.417 5.450 ( -0.763 0.279 0.438) 0.923 5.522 ( 0.886 -1.920 -0.898) 2.297 5.528 ( 0.452 -1.699 2.413) 2.985 5.738 ( 2.472 2.668 5.530) 6.619 5.784 ( -1.032 1.413 -1.345) 2.207 5.875 ( 2.371 0.095 8.319) 8.651 5.935 ( -2.265 -1.415 -10.507) 10.841 6.138 ( -0.663 0.917 -0.236) 1.156 6.157 ( -2.170 0.217 -2.525) 3.336 6.341 ( 0.164 -0.650 -0.408) 0.785 6.346 ( -0.208 -0.674 1.876) 2.005 6.966 ( 1.758 1.484 0.119) 2.303 6.993 ( -0.145 1.223 0.206) 1.249 7.044 ( -0.039 -1.098 -1.780) 2.092 7.059 ( -0.909 -0.877 1.465) 1.934 7.315 ( 0.591 0.484 2.051) 2.188 7.333 ( -0.905 0.317 -0.796) 1.246 7.374 ( 0.874 -1.200 0.213) 1.500 7.398 ( -1.078 -1.614 -0.581) 2.026 7.568 ( 0.138 2.135 -3.187) 3.838 7.578 ( -0.878 2.630 2.422) 3.681 7.652 ( 1.177 -0.939 1.125) 1.879 7.672 ( -0.669 -0.498 -0.389) 0.920 8.007 ( 0.551 0.103 0.900) 1.060 8.019 ( -0.502 0.188 -0.908) 1.054 8.143 ( 1.022 -1.043 0.596) 1.577 8.143 ( 1.066 -0.684 -0.615) 1.408 8.324 ( 1.612 0.715 -0.281) 1.786 8.356 ( -0.537 -0.024 0.223) 0.582 8.438 ( -0.093 -0.104 0.173) 0.222 8.461 ( -1.554 -0.698 -0.268) 1.724 8.715 ( -0.372 -0.196 0.244) 0.486 8.718 ( -0.674 -0.229 -0.746) 1.031 8.808 ( 0.531 -0.310 1.185) 1.334 8.813 ( 0.065 -0.393 -0.949) 1.030 11.588 ( -0.220 0.331 0.300) 0.498 11.590 ( -0.334 0.277 0.553) 0.703 11.744 ( 0.170 0.008 -0.402) 0.436 11.748 ( -0.135 -0.021 -0.395) 0.418 11.919 ( -0.121 0.472 -0.147) 0.509 11.920 ( -0.250 0.465 -0.034) 0.529 11.998 ( 0.605 -0.476 0.094) 0.775 12.001 ( 0.371 -0.578 0.054) 0.689 13.775 ( 2.396 0.833 0.602) 2.607 13.819 ( -0.008 -0.789 0.806) 1.128 13.899 ( -0.411 0.570 0.404) 0.811 13.958 ( -4.053 -1.652 -2.928) 5.266 15.563 ( 0.869 0.957 -0.115) 1.297 15.586 ( -0.942 0.429 -0.925) 1.388 15.630 ( 1.036 0.260 0.233) 1.093 15.658 ( -1.207 -0.556 0.525) 1.429 16.934 ( 0.171 0.790 0.016) 0.808 16.942 ( -0.525 0.920 0.041) 1.060 17.025 ( 0.777 -0.488 -0.272) 0.957 17.037 ( -0.270 -0.396 0.338) 0.586 17.274 ( 0.102 1.120 0.052) 1.126 17.281 ( -0.515 0.930 -0.289) 1.101 17.453 ( 1.769 0.017 -1.650) 2.419 17.475 ( 0.100 -1.272 1.092) 1.680 17.509 ( 0.728 0.165 3.573) 3.650 17.524 ( 0.125 0.777 -1.905) 2.062 17.536 ( -0.498 -1.159 3.743) 3.950 17.557 ( -1.106 -0.719 -3.600) 3.835 18.366 ( 3.447 0.422 -1.036) 3.624 18.383 ( 3.373 -0.218 0.648) 3.441 18.458 ( -4.123 0.103 -0.217) 4.130 18.476 ( -4.258 -0.631 0.729) 4.366 ======================= Grid point 87 (46/48) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 -0.000) 0.000 1.360 ( -0.000 0.000 0.000) 0.000 1.498 ( -0.000 0.000 -0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.572 ( -0.000 0.000 -0.000) 0.000 1.572 ( -0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 -0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.943 ( -0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.145 ( -0.000 0.000 0.000) 0.000 2.145 ( -0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 -0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 -0.000 -0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.550 ( -0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 -0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.636 ( -0.000 0.000 0.000) 0.000 2.636 ( -0.000 0.000 0.000) 0.000 2.827 ( -0.000 0.000 0.000) 0.000 2.827 ( -0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 -0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.128 ( -0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.185 ( -0.000 0.000 0.000) 0.000 3.185 ( -0.000 0.000 0.000) 0.000 3.355 ( -0.000 0.000 0.000) 0.000 3.355 ( -0.000 0.000 0.000) 0.000 3.450 ( -0.000 0.000 -0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 -0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 -0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.606 ( -0.000 -0.000 0.000) 0.000 3.606 ( -0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.766 ( -0.000 0.000 0.000) 0.000 4.016 ( -0.000 0.000 0.000) 0.000 4.016 ( -0.000 0.000 0.000) 0.000 4.131 ( -0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.308 ( -0.000 0.000 -0.000) 0.000 4.308 ( -0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 -0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.794 ( -0.000 0.000 0.000) 0.000 4.794 ( -0.000 0.000 0.000) 0.000 4.850 ( -0.000 -0.000 -0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.960 ( -0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.080 ( -0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.241 ( -0.000 0.000 0.000) 0.000 5.241 ( -0.000 0.000 0.000) 0.000 5.456 ( -0.000 0.000 -0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.471 ( -0.000 0.000 -0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.707 ( -0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 5.926 ( -0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.232 ( -0.000 0.000 0.000) 0.000 6.338 ( -0.000 0.000 -0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.068 ( -0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.354 ( -0.000 0.000 0.000) 0.000 7.354 ( -0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 -0.000) 0.000 7.367 ( -0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.595 ( -0.000 0.000 0.000) 0.000 7.657 ( -0.000 0.000 -0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.498 ( -0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.747 ( -0.000 0.000 0.000) 0.000 8.747 ( -0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.740 ( -0.000 0.000 0.000) 0.000 11.938 ( -0.000 0.000 0.000) 0.000 11.938 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 13.745 ( 0.000 0.000 0.000) 0.000 13.745 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.566 ( -0.000 0.000 0.000) 0.000 15.669 ( 0.000 0.000 0.000) 0.000 15.669 ( -0.000 0.000 0.000) 0.000 16.942 ( 0.000 0.000 0.000) 0.000 16.942 ( -0.000 0.000 0.000) 0.000 17.033 ( -0.000 0.000 0.000) 0.000 17.033 ( -0.000 0.000 0.000) 0.000 17.305 ( -0.000 0.000 0.000) 0.000 17.305 ( 0.000 0.000 0.000) 0.000 17.419 ( 0.000 0.000 0.000) 0.000 17.419 ( -0.000 0.000 0.000) 0.000 17.495 ( -0.000 0.000 0.000) 0.000 17.495 ( -0.000 0.000 0.000) 0.000 17.568 ( -0.000 0.000 0.000) 0.000 17.568 ( -0.000 0.000 0.000) 0.000 18.301 ( -0.000 0.000 0.000) 0.000 18.301 ( -0.000 0.000 0.000) 0.000 18.575 ( -0.000 0.000 0.000) 0.000 18.575 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 91 (47/48) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 3.215 -5.079 -1.329) 6.156 1.093 ( 3.215 5.079 -1.329) 6.156 1.355 ( -0.256 -4.941 3.979) 6.349 1.355 ( -0.256 4.941 3.979) 6.349 1.483 ( -2.857 -6.374 0.285) 6.991 1.483 ( -2.857 6.374 0.285) 6.991 1.592 ( 2.861 -1.626 -3.834) 5.052 1.592 ( 2.861 1.626 -3.834) 5.052 1.756 ( -3.903 -2.208 6.001) 7.491 1.756 ( -3.903 2.208 6.001) 7.491 1.898 ( -3.019 -0.807 -4.822) 5.746 1.898 ( -3.019 0.807 -4.822) 5.746 2.064 ( -5.864 -4.257 1.005) 7.315 2.064 ( -5.864 4.257 1.005) 7.315 2.166 ( -1.936 -3.212 -1.057) 3.896 2.166 ( -1.936 3.212 -1.057) 3.896 2.335 ( -2.054 -2.089 -0.313) 2.946 2.335 ( -2.054 2.089 -0.313) 2.946 2.492 ( -1.075 -3.331 4.380) 5.607 2.492 ( -1.075 3.331 4.380) 5.607 2.610 ( 2.207 -3.578 -0.317) 4.216 2.610 ( 2.207 3.578 -0.317) 4.216 2.710 ( 3.900 -2.525 0.398) 4.663 2.710 ( 3.900 2.525 0.398) 4.663 2.869 ( 2.871 -3.307 0.892) 4.470 2.869 ( 2.871 3.307 0.892) 4.470 2.991 ( 6.266 -1.942 -2.684) 7.088 2.991 ( 6.266 1.942 -2.684) 7.088 3.098 ( -1.598 -3.329 -2.076) 4.236 3.098 ( -1.598 3.329 -2.076) 4.236 3.215 ( 1.428 -1.407 -3.587) 4.109 3.215 ( 1.428 1.407 -3.587) 4.109 3.330 ( -1.381 -1.947 4.397) 5.003 3.330 ( -1.381 1.947 4.397) 5.003 3.411 ( -2.836 -1.197 2.018) 3.681 3.411 ( -2.836 1.197 2.018) 3.681 3.501 ( -1.698 -2.130 3.993) 4.834 3.501 ( -1.698 2.130 3.993) 4.834 3.551 ( -1.603 -1.628 -6.248) 6.653 3.551 ( -1.603 1.628 -6.248) 6.653 3.615 ( -0.062 -2.382 -1.364) 2.745 3.615 ( -0.062 2.382 -1.364) 2.745 3.786 ( 1.530 -2.009 0.245) 2.537 3.786 ( 1.530 2.009 0.245) 2.537 4.018 ( 0.217 -3.024 0.031) 3.032 4.018 ( 0.217 3.024 0.031) 3.032 4.116 ( -1.253 -1.499 0.303) 1.977 4.116 ( -1.253 1.499 0.303) 1.977 4.327 ( 1.490 -0.219 -0.900) 1.754 4.327 ( 1.490 0.219 -0.900) 1.754 4.396 ( 0.747 -0.644 -1.637) 1.912 4.396 ( 0.747 0.644 -1.637) 1.912 4.468 ( -0.015 -1.519 3.323) 3.654 4.468 ( -0.015 1.519 3.323) 3.654 4.759 ( -1.986 -2.471 0.217) 3.178 4.759 ( -1.986 2.471 0.217) 3.178 4.890 ( 1.697 -2.206 -0.036) 2.783 4.890 ( 1.697 2.206 -0.036) 2.783 4.958 ( 0.659 -0.453 -0.006) 0.799 4.958 ( 0.659 0.453 -0.006) 0.799 5.088 ( 0.660 -0.305 -0.817) 1.094 5.088 ( 0.660 0.305 -0.817) 1.094 5.224 ( -1.381 -0.817 0.863) 1.823 5.224 ( -1.381 0.817 0.863) 1.823 5.452 ( 0.051 -0.807 -4.552) 4.624 5.452 ( 0.051 0.807 -4.552) 4.624 5.490 ( 0.934 -0.483 3.464) 3.620 5.490 ( 0.934 0.483 3.464) 3.620 5.730 ( 2.140 -1.244 5.731) 6.243 5.730 ( 2.140 1.244 5.731) 6.243 5.919 ( -0.671 -2.012 -4.288) 4.784 5.919 ( -0.671 2.012 -4.288) 4.784 6.200 ( -2.439 -0.834 -2.471) 3.571 6.200 ( -2.439 0.834 -2.471) 3.571 6.339 ( -0.089 -0.249 1.488) 1.511 6.339 ( -0.089 0.249 1.488) 1.511 6.962 ( 1.492 -1.029 0.174) 1.821 6.962 ( 1.492 1.029 0.174) 1.821 7.061 ( -0.719 -0.471 -0.036) 0.860 7.061 ( -0.719 0.471 -0.036) 0.860 7.332 ( -0.810 -0.909 1.919) 2.273 7.332 ( -0.810 0.909 1.919) 2.273 7.379 ( -0.015 -1.179 -1.276) 1.737 7.379 ( -0.015 1.179 -1.276) 1.737 7.601 ( 0.509 -1.436 -1.195) 1.936 7.601 ( 0.509 1.436 -1.195) 1.936 7.653 ( -0.372 -2.075 0.907) 2.295 7.653 ( -0.372 2.075 0.907) 2.295 8.008 ( 0.112 -0.968 0.247) 1.005 8.008 ( 0.112 0.968 0.247) 1.005 8.104 ( 1.873 -0.322 -0.119) 1.904 8.104 ( 1.873 0.322 -0.119) 1.904 8.316 ( 0.755 -0.976 0.182) 1.248 8.316 ( 0.755 0.976 0.182) 1.248 8.482 ( -1.457 -0.550 -0.156) 1.565 8.482 ( -1.457 0.550 -0.156) 1.565 8.731 ( -1.028 -0.292 -0.383) 1.135 8.731 ( -1.028 0.292 -0.383) 1.135 8.793 ( 0.799 -0.404 0.148) 0.907 8.793 ( 0.799 0.404 0.148) 0.907 11.602 ( -0.467 -0.058 0.707) 0.850 11.602 ( -0.467 0.058 0.707) 0.850 11.742 ( 0.186 -0.209 -0.599) 0.661 11.742 ( 0.186 0.209 -0.599) 0.661 11.933 ( -0.351 -0.096 -0.187) 0.410 11.933 ( -0.351 0.096 -0.187) 0.410 11.977 ( 0.814 -0.137 0.121) 0.834 11.977 ( 0.814 0.137 0.121) 0.834 13.760 ( 1.373 -1.013 0.553) 1.793 13.760 ( 1.373 1.013 0.553) 1.793 13.988 ( -2.882 -1.670 -1.253) 3.559 13.988 ( -2.882 1.670 -1.253) 3.559 15.571 ( 0.471 -0.732 -0.658) 1.091 15.571 ( 0.471 0.732 -0.658) 1.091 15.660 ( -0.743 -0.908 0.340) 1.222 15.660 ( -0.743 0.908 0.340) 1.222 16.945 ( 0.224 -0.551 -0.352) 0.691 16.945 ( 0.224 0.551 -0.352) 0.691 17.030 ( -0.241 -0.804 0.594) 1.028 17.030 ( -0.241 0.804 0.594) 1.028 17.299 ( -0.430 -0.379 -0.248) 0.625 17.299 ( -0.430 0.379 -0.248) 0.625 17.432 ( 1.065 -0.723 -0.591) 1.416 17.432 ( 1.065 0.723 -0.591) 1.416 17.505 ( 0.750 -0.738 2.674) 2.873 17.505 ( 0.750 0.738 2.674) 2.873 17.558 ( -0.845 -0.456 -1.184) 1.524 17.558 ( -0.845 0.456 -1.184) 1.524 18.321 ( 1.840 -0.366 -0.179) 1.885 18.321 ( 1.840 0.366 -0.179) 1.885 18.542 ( -3.004 -0.360 0.182) 3.031 18.542 ( -3.004 0.360 0.182) 3.031 ======================= Grid point 93 (48/48) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 4.916 -6.102 -4.384) 8.979 1.181 ( 4.916 6.102 -4.384) 8.979 1.307 ( -5.106 -2.635 7.336) 9.319 1.307 ( -5.106 2.635 7.336) 9.319 1.433 ( -0.207 -2.906 -1.624) 3.335 1.433 ( -0.207 2.906 -1.624) 3.335 1.668 ( 2.334 -1.583 -1.279) 3.097 1.668 ( 2.334 1.583 -1.279) 3.097 1.710 ( 0.620 -3.843 1.747) 4.267 1.710 ( 0.620 3.843 1.747) 4.267 1.837 ( -1.798 -2.914 -2.356) 4.156 1.837 ( -1.798 2.914 -2.356) 4.156 1.925 ( -6.246 -4.356 1.598) 7.781 1.925 ( -6.246 4.356 1.598) 7.781 2.106 ( -2.070 -2.104 -0.512) 2.995 2.106 ( -2.070 2.104 -0.512) 2.995 2.309 ( -0.363 -0.976 -0.555) 1.181 2.309 ( -0.363 0.976 -0.555) 1.181 2.494 ( 0.377 -0.555 2.082) 2.188 2.494 ( 0.377 0.555 2.082) 2.188 2.679 ( 3.500 -3.057 1.327) 4.832 2.679 ( 3.500 3.057 1.327) 4.832 2.759 ( 0.301 -2.064 0.516) 2.148 2.759 ( 0.301 2.064 0.516) 2.148 2.905 ( 0.701 -2.340 -1.478) 2.855 2.905 ( 0.701 2.340 -1.478) 2.855 3.019 ( -2.047 -1.652 -1.592) 3.075 3.019 ( -2.047 1.652 -1.592) 3.075 3.154 ( 4.491 -3.404 -4.312) 7.096 3.154 ( 4.491 3.404 -4.312) 7.096 3.236 ( 0.699 -2.377 3.121) 3.985 3.236 ( 0.699 2.377 3.121) 3.985 3.315 ( -0.751 -1.654 1.320) 2.245 3.315 ( -0.751 1.654 1.320) 2.245 3.370 ( -0.161 -3.017 0.774) 3.119 3.370 ( -0.161 3.017 0.774) 3.119 3.467 ( -1.458 -1.764 3.983) 4.594 3.467 ( -1.458 1.764 3.983) 4.594 3.515 ( -1.251 -1.374 -5.428) 5.737 3.515 ( -1.251 1.374 -5.428) 5.737 3.598 ( -0.970 -1.069 -0.504) 1.529 3.598 ( -0.970 1.069 -0.504) 1.529 3.813 ( 0.753 -1.151 0.245) 1.397 3.813 ( 0.753 1.151 0.245) 1.397 4.027 ( 0.504 -2.376 -0.037) 2.429 4.027 ( 0.504 2.376 -0.037) 2.429 4.088 ( -1.091 -1.674 0.236) 2.012 4.088 ( -1.091 1.674 0.236) 2.012 4.341 ( -0.166 -0.315 0.428) 0.557 4.341 ( -0.166 0.315 0.428) 0.557 4.429 ( 2.258 -1.288 -5.136) 5.756 4.429 ( 2.258 1.288 -5.136) 5.756 4.465 ( -0.788 -1.648 4.933) 5.260 4.465 ( -0.788 1.648 4.933) 5.260 4.728 ( -0.803 -1.097 0.396) 1.416 4.728 ( -0.803 1.097 0.396) 1.416 4.899 ( -0.154 -0.614 -0.112) 0.643 4.899 ( -0.154 0.614 -0.112) 0.643 4.991 ( 1.397 -0.382 -0.052) 1.449 4.991 ( 1.397 0.382 -0.052) 1.449 5.102 ( 0.440 -0.015 -0.417) 0.606 5.102 ( 0.440 0.015 -0.417) 0.606 5.198 ( -0.740 -0.428 0.473) 0.977 5.198 ( -0.740 0.428 0.473) 0.977 5.451 ( -0.167 -0.510 -2.221) 2.285 5.451 ( -0.167 0.510 -2.221) 2.285 5.501 ( 0.196 -0.372 1.581) 1.636 5.501 ( 0.196 0.372 1.581) 1.636 5.785 ( 2.251 -1.480 5.769) 6.367 5.785 ( 2.251 1.480 5.769) 6.367 5.897 ( -1.156 -1.946 -4.948) 5.441 5.897 ( -1.156 1.946 -4.948) 5.441 6.155 ( -1.294 -0.518 -1.168) 1.818 6.155 ( -1.294 0.518 -1.168) 1.818 6.335 ( -0.174 -0.172 0.629) 0.675 6.335 ( -0.174 0.172 0.629) 0.675 6.998 ( 1.667 -1.201 0.114) 2.058 6.998 ( 1.667 1.201 0.114) 2.058 7.039 ( -1.281 -0.870 -0.062) 1.549 7.039 ( -1.281 0.870 -0.062) 1.549 7.330 ( 0.428 -0.847 1.586) 1.848 7.330 ( 0.428 0.847 1.586) 1.848 7.366 ( -0.829 -0.977 -1.159) 1.728 7.366 ( -0.829 0.977 -1.159) 1.728 7.612 ( 0.432 -1.457 -1.034) 1.838 7.612 ( 0.432 1.457 -1.034) 1.838 7.644 ( -0.387 -1.827 0.845) 2.050 7.644 ( -0.387 1.827 0.845) 2.050 8.015 ( 0.351 -0.507 0.172) 0.640 8.015 ( 0.351 0.507 0.172) 0.640 8.132 ( 0.621 -0.167 -0.056) 0.646 8.132 ( 0.621 0.167 -0.056) 0.646 8.343 ( 1.454 -1.012 0.192) 1.782 8.343 ( 1.454 1.012 0.192) 1.782 8.445 ( -1.662 -0.711 -0.193) 1.818 8.445 ( -1.662 0.711 -0.193) 1.818 8.714 ( -0.443 -0.113 -0.190) 0.495 8.714 ( -0.443 0.113 -0.190) 0.495 8.806 ( 0.301 -0.186 0.047) 0.357 8.806 ( 0.301 0.186 0.047) 0.357 11.593 ( -0.266 -0.042 0.414) 0.494 11.593 ( -0.266 0.042 0.414) 0.494 11.746 ( 0.106 -0.133 -0.346) 0.385 11.746 ( 0.106 0.133 -0.346) 0.385 11.927 ( -0.169 -0.056 -0.096) 0.203 11.927 ( -0.169 0.056 -0.096) 0.203 11.992 ( 0.438 -0.076 0.049) 0.447 11.992 ( 0.438 0.076 0.049) 0.447 13.797 ( 1.733 -1.236 0.725) 2.248 13.797 ( 1.733 1.236 0.725) 2.248 13.922 ( -2.618 -1.634 -1.150) 3.294 13.922 ( -2.618 1.634 -1.150) 3.294 15.584 ( 0.560 -0.752 -0.515) 1.070 15.584 ( 0.560 0.752 -0.515) 1.070 15.642 ( -0.739 -0.860 0.347) 1.185 15.642 ( -0.739 0.860 0.347) 1.185 16.950 ( 0.178 -0.399 -0.235) 0.496 16.950 ( 0.178 0.399 -0.235) 0.496 17.025 ( -0.165 -0.549 0.369) 0.682 17.025 ( -0.165 0.549 0.369) 0.682 17.292 ( -0.189 -0.263 -0.132) 0.349 17.292 ( -0.189 0.263 -0.132) 0.349 17.455 ( 0.894 -0.467 -0.964) 1.396 17.455 ( 0.894 0.467 -0.964) 1.396 17.516 ( 0.087 -0.622 4.217) 4.264 17.516 ( 0.087 0.622 4.217) 4.264 17.541 ( -0.484 -0.808 -2.740) 2.897 17.541 ( -0.484 0.808 -2.740) 2.897 18.376 ( 3.217 -0.476 -0.225) 3.260 18.376 ( 3.217 0.476 -0.225) 3.260 18.464 ( -3.918 -0.472 0.225) 3.953 18.464 ( -3.918 0.472 0.225) 3.953 =================== 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 3/15840 10.0 3.376 13.784 29.759 0.000 0.710 0.000 3/15840 20.0 1.908 5.218 11.547 0.000 -0.223 0.000 3/15840 30.0 1.141 2.688 5.965 0.000 -0.193 0.000 3/15840 40.0 0.791 1.736 3.828 0.000 -0.139 0.000 3/15840 50.0 0.604 1.275 2.796 0.000 -0.105 0.000 3/15840 60.0 0.490 1.010 2.206 0.000 -0.082 0.000 3/15840 70.0 0.413 0.839 1.828 0.000 -0.067 0.000 3/15840 80.0 0.358 0.719 1.565 0.000 -0.056 0.000 3/15840 90.0 0.316 0.631 1.371 0.000 -0.048 0.000 3/15840 100.0 0.284 0.563 1.223 0.000 -0.041 0.000 3/15840 110.0 0.258 0.509 1.105 0.000 -0.037 0.000 3/15840 120.0 0.237 0.465 1.009 0.000 -0.033 0.000 3/15840 130.0 0.220 0.429 0.930 0.000 -0.030 0.000 3/15840 140.0 0.205 0.398 0.863 0.000 -0.027 0.000 3/15840 150.0 0.193 0.371 0.805 0.000 -0.025 0.000 3/15840 160.0 0.182 0.348 0.755 0.000 -0.023 0.000 3/15840 170.0 0.172 0.328 0.712 0.000 -0.022 0.000 3/15840 180.0 0.164 0.310 0.674 0.000 -0.020 0.000 3/15840 190.0 0.156 0.294 0.640 0.000 -0.019 0.000 3/15840 200.0 0.150 0.280 0.609 0.000 -0.018 0.000 3/15840 210.0 0.144 0.267 0.581 0.000 -0.017 0.000 3/15840 220.0 0.138 0.256 0.556 0.000 -0.016 0.000 3/15840 230.0 0.133 0.245 0.533 0.000 -0.016 0.000 3/15840 240.0 0.128 0.235 0.512 0.000 -0.015 0.000 3/15840 250.0 0.124 0.226 0.493 0.000 -0.014 0.000 3/15840 260.0 0.120 0.218 0.475 0.000 -0.014 0.000 3/15840 270.0 0.116 0.210 0.459 0.000 -0.013 0.000 3/15840 280.0 0.113 0.203 0.443 0.000 -0.013 0.000 3/15840 290.0 0.109 0.196 0.429 0.000 -0.012 0.000 3/15840 300.0 0.106 0.190 0.415 0.000 -0.012 0.000 3/15840 310.0 0.103 0.184 0.403 0.000 -0.012 0.000 3/15840 320.0 0.101 0.179 0.391 0.000 -0.011 0.000 3/15840 330.0 0.098 0.174 0.380 0.000 -0.011 0.000 3/15840 340.0 0.096 0.169 0.369 0.000 -0.011 0.000 3/15840 350.0 0.093 0.164 0.359 0.000 -0.010 0.000 3/15840 360.0 0.091 0.160 0.350 0.000 -0.010 0.000 3/15840 370.0 0.089 0.156 0.341 0.000 -0.010 0.000 3/15840 380.0 0.087 0.152 0.332 0.000 -0.009 0.000 3/15840 390.0 0.085 0.148 0.324 0.000 -0.009 0.000 3/15840 400.0 0.083 0.145 0.316 0.000 -0.009 0.000 3/15840 410.0 0.081 0.141 0.309 0.000 -0.009 0.000 3/15840 420.0 0.080 0.138 0.302 0.000 -0.009 0.000 3/15840 430.0 0.078 0.135 0.295 0.000 -0.008 0.000 3/15840 440.0 0.076 0.132 0.289 0.000 -0.008 0.000 3/15840 450.0 0.075 0.129 0.283 0.000 -0.008 0.000 3/15840 460.0 0.073 0.126 0.277 0.000 -0.008 0.000 3/15840 470.0 0.072 0.124 0.271 0.000 -0.008 0.000 3/15840 480.0 0.071 0.121 0.266 0.000 -0.007 0.000 3/15840 490.0 0.069 0.119 0.261 0.000 -0.007 0.000 3/15840 500.0 0.068 0.117 0.256 0.000 -0.007 0.000 3/15840 510.0 0.067 0.114 0.251 0.000 -0.007 0.000 3/15840 520.0 0.066 0.112 0.246 0.000 -0.007 0.000 3/15840 530.0 0.065 0.110 0.242 0.000 -0.007 0.000 3/15840 540.0 0.063 0.108 0.238 0.000 -0.007 0.000 3/15840 550.0 0.062 0.106 0.233 0.000 -0.007 0.000 3/15840 560.0 0.061 0.104 0.229 0.000 -0.006 0.000 3/15840 570.0 0.060 0.103 0.225 0.000 -0.006 0.000 3/15840 580.0 0.059 0.101 0.222 0.000 -0.006 0.000 3/15840 590.0 0.059 0.099 0.218 0.000 -0.006 0.000 3/15840 600.0 0.058 0.098 0.215 0.000 -0.006 0.000 3/15840 610.0 0.057 0.096 0.211 0.000 -0.006 0.000 3/15840 620.0 0.056 0.095 0.208 0.000 -0.006 0.000 3/15840 630.0 0.055 0.093 0.205 0.000 -0.006 0.000 3/15840 640.0 0.054 0.092 0.202 0.000 -0.006 0.000 3/15840 650.0 0.054 0.090 0.199 0.000 -0.006 0.000 3/15840 660.0 0.053 0.089 0.196 0.000 -0.005 0.000 3/15840 670.0 0.052 0.088 0.193 0.000 -0.005 0.000 3/15840 680.0 0.051 0.086 0.190 0.000 -0.005 0.000 3/15840 690.0 0.051 0.085 0.187 0.000 -0.005 0.000 3/15840 700.0 0.050 0.084 0.185 0.000 -0.005 0.000 3/15840 710.0 0.049 0.083 0.182 0.000 -0.005 0.000 3/15840 720.0 0.049 0.082 0.180 0.000 -0.005 0.000 3/15840 730.0 0.048 0.081 0.177 0.000 -0.005 0.000 3/15840 740.0 0.047 0.080 0.175 0.000 -0.005 0.000 3/15840 750.0 0.047 0.079 0.173 0.000 -0.005 0.000 3/15840 760.0 0.046 0.078 0.170 0.000 -0.005 0.000 3/15840 770.0 0.046 0.077 0.168 0.000 -0.005 0.000 3/15840 780.0 0.045 0.076 0.166 0.000 -0.005 0.000 3/15840 790.0 0.045 0.075 0.164 0.000 -0.005 0.000 3/15840 800.0 0.044 0.074 0.162 0.000 -0.004 0.000 3/15840 810.0 0.043 0.073 0.160 0.000 -0.004 0.000 3/15840 820.0 0.043 0.072 0.158 0.000 -0.004 0.000 3/15840 830.0 0.042 0.071 0.156 0.000 -0.004 0.000 3/15840 840.0 0.042 0.070 0.155 0.000 -0.004 0.000 3/15840 850.0 0.042 0.070 0.153 0.000 -0.004 0.000 3/15840 860.0 0.041 0.069 0.151 0.000 -0.004 0.000 3/15840 870.0 0.041 0.068 0.149 0.000 -0.004 0.000 3/15840 880.0 0.040 0.067 0.148 0.000 -0.004 0.000 3/15840 890.0 0.040 0.066 0.146 0.000 -0.004 0.000 3/15840 900.0 0.039 0.066 0.144 0.000 -0.004 0.000 3/15840 910.0 0.039 0.065 0.143 0.000 -0.004 0.000 3/15840 920.0 0.039 0.064 0.141 0.000 -0.004 0.000 3/15840 930.0 0.038 0.064 0.140 0.000 -0.004 0.000 3/15840 940.0 0.038 0.063 0.138 0.000 -0.004 0.000 3/15840 950.0 0.037 0.062 0.137 0.000 -0.004 0.000 3/15840 960.0 0.037 0.062 0.136 0.000 -0.004 0.000 3/15840 970.0 0.037 0.061 0.134 0.000 -0.004 0.000 3/15840 980.0 0.036 0.060 0.133 0.000 -0.004 0.000 3/15840 990.0 0.036 0.060 0.132 0.000 -0.004 0.000 3/15840 1000.0 0.036 0.059 0.130 0.000 -0.004 0.000 3/15840 Thermal conductivity related properties were written into "kappa-m546.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:36:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|