----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:36:34]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.217221180027009 -3.360943015000000 0.000000000000000 b 7.217221180027009 3.360943015000000 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): *1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 *2 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 *3 Sn 0.80257708987070 0.80257708987070 0.80104987806655 118.710 *4 Sn 0.60092794420489 0.60092794420489 0.59845777512133 118.710 *5 Sn 0.40140725249319 0.40140725249319 0.90254820149682 118.710 *6 Sn 0.80061047421578 0.80061047421578 0.29805998239803 118.710 7 Sn 0.19938952578422 0.19938952578422 0.70194001760197 118.710 8 Sn 0.59859274750681 0.59859274750681 0.09745179850318 118.710 9 Sn 0.39907205579511 0.39907205579511 0.40154222487867 118.710 10 Sn 0.19742291012930 0.19742291012930 0.19895012193345 118.710 *11 O 0.29824921875698 0.70175078124302 0.00000000000000 15.999 *12 O 0.29533010344398 0.90678155321470 0.59455238983726 15.999 13 O 0.70175078124302 0.29824921875698 0.00000000000000 15.999 *14 O 0.66217171828252 0.66217171828252 0.85445021064591 15.999 *15 O 0.94391643613931 0.94391643613931 0.75421407456298 15.999 *16 O 0.13225486390660 0.13225486390660 0.94290989175426 15.999 *17 O 0.74015905768514 0.74015905768514 0.54467227440149 15.999 *18 O 0.53804012517249 0.53804012517249 0.34341189265004 15.999 19 O 0.90678155321470 0.29533010344398 0.59455238983726 15.999 *20 O 0.10618635181376 0.49427743027703 0.80286397469250 15.999 21 O 0.50572256972297 0.89381364818624 0.19713602530750 15.999 22 O 0.09321844678530 0.70466989655602 0.40544761016274 15.999 23 O 0.49427743027703 0.10618635181376 0.80286397469250 15.999 24 O 0.89381364818624 0.50572256972297 0.19713602530750 15.999 25 O 0.46195987482751 0.46195987482751 0.65658810734996 15.999 26 O 0.86774513609340 0.86774513609340 0.05709010824574 15.999 27 O 0.25984094231486 0.25984094231486 0.45532772559851 15.999 28 O 0.05608356386069 0.05608356386069 0.24578592543702 15.999 29 O 0.33782828171748 0.33782828171748 0.14554978935409 15.999 30 O 0.70466989655602 0.09321844678530 0.40544761016274 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.434442360054017 0.000000000000000 0.000000000000000 b 0.000000000000000 6.721886029999999 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): *1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 1 2 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 1 *3 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 2 *4 Sn 0.80257708987070 0.00000000000000 0.80104987806655 118.710 > 3 *5 Sn 0.60092794420489 0.00000000000000 0.59845777512133 118.710 > 4 *6 Sn 0.90140725249319 0.50000000000000 0.90254820149682 118.710 > 5 *7 Sn 0.80061047421578 0.00000000000000 0.29805998239803 118.710 > 6 8 Sn 0.69938952578422 0.50000000000000 0.70194001760197 118.710 > 7 9 Sn 0.59859274750681 0.00000000000000 0.09745179850318 118.710 > 8 10 Sn 0.89907205579511 0.50000000000000 0.40154222487867 118.710 > 9 11 Sn 0.69742291012930 0.50000000000000 0.19895012193345 118.710 > 10 12 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 2 13 Sn 0.30257708987070 0.50000000000000 0.80104987806655 118.710 > 3 14 Sn 0.10092794420489 0.50000000000000 0.59845777512133 118.710 > 4 15 Sn 0.40140725249319 0.00000000000000 0.90254820149682 118.710 > 5 16 Sn 0.30061047421578 0.50000000000000 0.29805998239803 118.710 > 6 17 Sn 0.19938952578422 0.00000000000000 0.70194001760197 118.710 > 7 18 Sn 0.09859274750681 0.50000000000000 0.09745179850318 118.710 > 8 19 Sn 0.39907205579511 0.00000000000000 0.40154222487867 118.710 > 9 20 Sn 0.19742291012930 0.00000000000000 0.19895012193345 118.710 > 10 *21 O 0.00000000000000 0.70175078124302 0.00000000000000 15.999 > 11 *22 O 0.60105582832934 0.30572572488536 0.59455238983726 15.999 > 12 23 O 0.00000000000000 0.29824921875698 0.00000000000000 15.999 > 13 *24 O 0.66217171828252 0.00000000000000 0.85445021064591 15.999 > 14 *25 O 0.94391643613931 0.00000000000000 0.75421407456298 15.999 > 15 *26 O 0.63225486390660 0.50000000000000 0.94290989175426 15.999 > 16 *27 O 0.74015905768514 0.00000000000000 0.54467227440149 15.999 > 17 *28 O 0.53804012517249 0.00000000000000 0.34341189265004 15.999 > 18 29 O 0.60105582832934 0.69427427511464 0.59455238983726 15.999 > 19 *30 O 0.80023189104539 0.69404553923164 0.80286397469250 15.999 > 20 31 O 0.69976810895461 0.19404553923164 0.19713602530750 15.999 > 21 32 O 0.89894417167066 0.80572572488536 0.40544761016274 15.999 > 22 33 O 0.80023189104539 0.30595446076836 0.80286397469250 15.999 > 23 34 O 0.69976810895461 0.80595446076836 0.19713602530750 15.999 > 24 35 O 0.96195987482751 0.50000000000000 0.65658810734996 15.999 > 25 36 O 0.86774513609340 0.00000000000000 0.05709010824574 15.999 > 26 37 O 0.75984094231486 0.50000000000000 0.45532772559851 15.999 > 27 38 O 0.55608356386069 0.50000000000000 0.24578592543702 15.999 > 28 39 O 0.83782828171748 0.50000000000000 0.14554978935409 15.999 > 29 40 O 0.89894417167066 0.19427427511464 0.40544761016274 15.999 > 30 41 O 0.50000000000000 0.20175078124302 0.00000000000000 15.999 > 11 42 O 0.10105582832934 0.80572572488536 0.59455238983726 15.999 > 12 43 O 0.50000000000000 0.79824921875698 0.00000000000000 15.999 > 13 44 O 0.16217171828252 0.50000000000000 0.85445021064591 15.999 > 14 45 O 0.44391643613931 0.50000000000000 0.75421407456298 15.999 > 15 46 O 0.13225486390660 0.00000000000000 0.94290989175426 15.999 > 16 47 O 0.24015905768514 0.50000000000000 0.54467227440149 15.999 > 17 48 O 0.03804012517249 0.50000000000000 0.34341189265004 15.999 > 18 49 O 0.10105582832934 0.19427427511464 0.59455238983726 15.999 > 19 50 O 0.30023189104539 0.19404553923164 0.80286397469250 15.999 > 20 51 O 0.19976810895461 0.69404553923164 0.19713602530750 15.999 > 21 52 O 0.39894417167066 0.30572572488536 0.40544761016274 15.999 > 22 53 O 0.30023189104539 0.80595446076836 0.80286397469250 15.999 > 23 54 O 0.19976810895461 0.30595446076836 0.19713602530750 15.999 > 24 55 O 0.46195987482751 0.00000000000000 0.65658810734996 15.999 > 25 56 O 0.36774513609340 0.50000000000000 0.05709010824574 15.999 > 26 57 O 0.25984094231486 0.00000000000000 0.45532772559851 15.999 > 27 58 O 0.05608356386069 0.00000000000000 0.24578592543702 15.999 > 28 59 O 0.33782828171748 0.00000000000000 0.14554978935409 15.999 > 29 60 O 0.39894417167066 0.69427427511464 0.40544761016274 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.434442360054017 0.000000000000000 0.000000000000000 b 0.000000000000000 13.443772059999999 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): *1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 1 2 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 1 3 Ti 0.50000000000000 0.25000000000000 0.00000000000000 47.867 > 1 4 Ti 0.50000000000000 0.75000000000000 0.00000000000000 47.867 > 1 *5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 2 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 2 *7 Sn 0.80257708987070 0.00000000000000 0.80104987806655 118.710 > 3 8 Sn 0.80257708987070 0.50000000000000 0.80104987806655 118.710 > 3 *9 Sn 0.60092794420489 0.00000000000000 0.59845777512133 118.710 > 4 10 Sn 0.60092794420489 0.50000000000000 0.59845777512133 118.710 > 4 *11 Sn 0.90140725249319 0.25000000000000 0.90254820149682 118.710 > 5 12 Sn 0.90140725249319 0.75000000000000 0.90254820149682 118.710 > 5 *13 Sn 0.80061047421578 0.00000000000000 0.29805998239803 118.710 > 6 14 Sn 0.80061047421578 0.50000000000000 0.29805998239803 118.710 > 6 15 Sn 0.69938952578422 0.25000000000000 0.70194001760197 118.710 > 7 16 Sn 0.69938952578422 0.75000000000000 0.70194001760197 118.710 > 7 17 Sn 0.59859274750681 0.00000000000000 0.09745179850318 118.710 > 8 18 Sn 0.59859274750681 0.50000000000000 0.09745179850318 118.710 > 8 19 Sn 0.89907205579511 0.25000000000000 0.40154222487867 118.710 > 9 20 Sn 0.89907205579511 0.75000000000000 0.40154222487867 118.710 > 9 21 Sn 0.69742291012930 0.25000000000000 0.19895012193345 118.710 > 10 22 Sn 0.69742291012930 0.75000000000000 0.19895012193345 118.710 > 10 23 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 2 24 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 2 25 Sn 0.30257708987070 0.25000000000000 0.80104987806655 118.710 > 3 26 Sn 0.30257708987070 0.75000000000000 0.80104987806655 118.710 > 3 27 Sn 0.10092794420489 0.25000000000000 0.59845777512133 118.710 > 4 28 Sn 0.10092794420489 0.75000000000000 0.59845777512133 118.710 > 4 29 Sn 0.40140725249319 0.00000000000000 0.90254820149682 118.710 > 5 30 Sn 0.40140725249319 0.50000000000000 0.90254820149682 118.710 > 5 31 Sn 0.30061047421578 0.25000000000000 0.29805998239803 118.710 > 6 32 Sn 0.30061047421578 0.75000000000000 0.29805998239803 118.710 > 6 33 Sn 0.19938952578422 0.00000000000000 0.70194001760197 118.710 > 7 34 Sn 0.19938952578422 0.50000000000000 0.70194001760197 118.710 > 7 35 Sn 0.09859274750681 0.25000000000000 0.09745179850318 118.710 > 8 36 Sn 0.09859274750681 0.75000000000000 0.09745179850318 118.710 > 8 37 Sn 0.39907205579511 0.00000000000000 0.40154222487867 118.710 > 9 38 Sn 0.39907205579511 0.50000000000000 0.40154222487867 118.710 > 9 39 Sn 0.19742291012930 0.00000000000000 0.19895012193345 118.710 > 10 40 Sn 0.19742291012930 0.50000000000000 0.19895012193345 118.710 > 10 *41 O 0.00000000000000 0.35087539062151 0.00000000000000 15.999 > 11 42 O 0.00000000000000 0.85087539062151 0.00000000000000 15.999 > 11 *43 O 0.60105582832934 0.15286286244268 0.59455238983726 15.999 > 12 44 O 0.60105582832934 0.65286286244268 0.59455238983726 15.999 > 12 45 O 0.00000000000000 0.14912460937849 0.00000000000000 15.999 > 13 46 O 0.00000000000000 0.64912460937849 0.00000000000000 15.999 > 13 *47 O 0.66217171828252 0.00000000000000 0.85445021064591 15.999 > 14 48 O 0.66217171828252 0.50000000000000 0.85445021064591 15.999 > 14 *49 O 0.94391643613931 0.00000000000000 0.75421407456298 15.999 > 15 50 O 0.94391643613931 0.50000000000000 0.75421407456298 15.999 > 15 *51 O 0.63225486390660 0.25000000000000 0.94290989175426 15.999 > 16 52 O 0.63225486390660 0.75000000000000 0.94290989175426 15.999 > 16 *53 O 0.74015905768514 0.00000000000000 0.54467227440149 15.999 > 17 54 O 0.74015905768514 0.50000000000000 0.54467227440149 15.999 > 17 *55 O 0.53804012517249 0.00000000000000 0.34341189265004 15.999 > 18 56 O 0.53804012517249 0.50000000000000 0.34341189265004 15.999 > 18 57 O 0.60105582832934 0.34713713755732 0.59455238983726 15.999 > 19 58 O 0.60105582832934 0.84713713755732 0.59455238983726 15.999 > 19 *59 O 0.80023189104539 0.34702276961582 0.80286397469250 15.999 > 20 60 O 0.80023189104539 0.84702276961582 0.80286397469250 15.999 > 20 61 O 0.69976810895461 0.09702276961582 0.19713602530750 15.999 > 21 62 O 0.69976810895461 0.59702276961582 0.19713602530750 15.999 > 21 63 O 0.89894417167066 0.40286286244268 0.40544761016274 15.999 > 22 64 O 0.89894417167066 0.90286286244268 0.40544761016274 15.999 > 22 65 O 0.80023189104539 0.15297723038418 0.80286397469250 15.999 > 23 66 O 0.80023189104539 0.65297723038418 0.80286397469250 15.999 > 23 67 O 0.69976810895461 0.40297723038418 0.19713602530750 15.999 > 24 68 O 0.69976810895461 0.90297723038418 0.19713602530750 15.999 > 24 69 O 0.96195987482751 0.25000000000000 0.65658810734996 15.999 > 25 70 O 0.96195987482751 0.75000000000000 0.65658810734996 15.999 > 25 71 O 0.86774513609340 0.00000000000000 0.05709010824574 15.999 > 26 72 O 0.86774513609340 0.50000000000000 0.05709010824574 15.999 > 26 73 O 0.75984094231486 0.25000000000000 0.45532772559851 15.999 > 27 74 O 0.75984094231486 0.75000000000000 0.45532772559851 15.999 > 27 75 O 0.55608356386069 0.25000000000000 0.24578592543702 15.999 > 28 76 O 0.55608356386069 0.75000000000000 0.24578592543702 15.999 > 28 77 O 0.83782828171748 0.25000000000000 0.14554978935409 15.999 > 29 78 O 0.83782828171748 0.75000000000000 0.14554978935409 15.999 > 29 79 O 0.89894417167066 0.09713713755732 0.40544761016274 15.999 > 30 80 O 0.89894417167066 0.59713713755732 0.40544761016274 15.999 > 30 81 O 0.50000000000000 0.10087539062151 0.00000000000000 15.999 > 11 82 O 0.50000000000000 0.60087539062151 0.00000000000000 15.999 > 11 83 O 0.10105582832934 0.40286286244268 0.59455238983726 15.999 > 12 84 O 0.10105582832934 0.90286286244268 0.59455238983726 15.999 > 12 85 O 0.50000000000000 0.39912460937849 0.00000000000000 15.999 > 13 86 O 0.50000000000000 0.89912460937849 0.00000000000000 15.999 > 13 87 O 0.16217171828252 0.25000000000000 0.85445021064591 15.999 > 14 88 O 0.16217171828252 0.75000000000000 0.85445021064591 15.999 > 14 89 O 0.44391643613931 0.25000000000000 0.75421407456298 15.999 > 15 90 O 0.44391643613931 0.75000000000000 0.75421407456298 15.999 > 15 91 O 0.13225486390660 0.00000000000000 0.94290989175426 15.999 > 16 92 O 0.13225486390660 0.50000000000000 0.94290989175426 15.999 > 16 93 O 0.24015905768514 0.25000000000000 0.54467227440149 15.999 > 17 94 O 0.24015905768514 0.75000000000000 0.54467227440149 15.999 > 17 95 O 0.03804012517249 0.25000000000000 0.34341189265004 15.999 > 18 96 O 0.03804012517249 0.75000000000000 0.34341189265004 15.999 > 18 97 O 0.10105582832934 0.09713713755732 0.59455238983726 15.999 > 19 98 O 0.10105582832934 0.59713713755732 0.59455238983726 15.999 > 19 99 O 0.30023189104539 0.09702276961582 0.80286397469250 15.999 > 20 100 O 0.30023189104539 0.59702276961582 0.80286397469250 15.999 > 20 101 O 0.19976810895461 0.34702276961582 0.19713602530750 15.999 > 21 102 O 0.19976810895461 0.84702276961582 0.19713602530750 15.999 > 21 103 O 0.39894417167066 0.15286286244268 0.40544761016274 15.999 > 22 104 O 0.39894417167066 0.65286286244268 0.40544761016274 15.999 > 22 105 O 0.30023189104539 0.40297723038418 0.80286397469250 15.999 > 23 106 O 0.30023189104539 0.90297723038418 0.80286397469250 15.999 > 23 107 O 0.19976810895461 0.15297723038418 0.19713602530750 15.999 > 24 108 O 0.19976810895461 0.65297723038418 0.19713602530750 15.999 > 24 109 O 0.46195987482751 0.00000000000000 0.65658810734996 15.999 > 25 110 O 0.46195987482751 0.50000000000000 0.65658810734996 15.999 > 25 111 O 0.36774513609340 0.25000000000000 0.05709010824574 15.999 > 26 112 O 0.36774513609340 0.75000000000000 0.05709010824574 15.999 > 26 113 O 0.25984094231486 0.00000000000000 0.45532772559851 15.999 > 27 114 O 0.25984094231486 0.50000000000000 0.45532772559851 15.999 > 27 115 O 0.05608356386069 0.00000000000000 0.24578592543702 15.999 > 28 116 O 0.05608356386069 0.50000000000000 0.24578592543702 15.999 > 28 117 O 0.33782828171748 0.00000000000000 0.14554978935409 15.999 > 29 118 O 0.33782828171748 0.50000000000000 0.14554978935409 15.999 > 29 119 O 0.39894417167066 0.34713713755732 0.40544761016274 15.999 > 30 120 O 0.39894417167066 0.84713713755732 0.40544761016274 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9890971 0.0000000 0.2015071 0.0000000 4.8101755 0.0000000 0.2015022 0.0000000 4.7468809 -------------------------- Born effective charges -------------------------- 1 Ti 6.1579887 0.0000000 0.7398186 0.0000000 6.3197528 0.0000000 0.6747821 0.0000000 5.1943631 2 Sn 4.2075164 0.0000000 0.2070998 0.0000000 3.6939581 0.0000000 -0.2623651 0.0000000 5.2220806 3 Sn 4.6301822 0.0000000 0.6761373 0.0000000 4.4808261 0.0000000 0.7016681 0.0000000 3.6528835 4 Sn 4.2817441 0.0000000 0.3455885 0.0000000 4.5423511 0.0000000 0.3545705 0.0000000 3.8399294 5 Sn 4.4018857 0.0000000 -0.0844794 0.0000000 4.1207242 0.0000000 -0.0961203 0.0000000 4.4487702 6 Sn 4.8004331 0.0000000 -0.2841724 0.0000000 3.7310897 0.0000000 -0.0450073 0.0000000 4.6227206 7 Sn 4.8004331 0.0000000 -0.2841724 0.0000000 3.7310897 0.0000000 -0.0450073 0.0000000 4.6227206 8 Sn 4.4018857 0.0000000 -0.0844794 0.0000000 4.1207242 0.0000000 -0.0961203 0.0000000 4.4487702 9 Sn 4.2817441 0.0000000 0.3455885 0.0000000 4.5423511 0.0000000 0.3545705 0.0000000 3.8399294 10 Sn 4.6301822 0.0000000 0.6761373 0.0000000 4.4808261 0.0000000 0.7016681 0.0000000 3.6528835 11 O -1.8721796 0.0000000 -0.3124398 0.0000000 -4.1722071 0.0000000 -0.3114075 0.0000000 -1.4200664 12 O -1.9931235 0.0409512 -0.3600986 0.0069410 -2.7569482 -0.0160021 -0.3488639 0.0078804 -1.5921098 13 O -1.8721796 0.0000000 -0.3124398 0.0000000 -4.1722071 0.0000000 -0.3114075 0.0000000 -1.4200664 14 O -2.4353165 0.0000000 0.2073987 0.0000000 -1.3758151 0.0000000 0.2344025 0.0000000 -2.6012075 15 O -2.3782317 0.0000000 -0.3700434 0.0000000 -1.2864584 0.0000000 -0.3103927 0.0000000 -3.6761873 16 O -3.5771429 0.0000000 0.4930277 0.0000000 -1.2974188 0.0000000 0.4446145 0.0000000 -2.4514296 17 O -2.3853455 0.0000000 0.1864771 0.0000000 -1.3181306 0.0000000 0.1452903 0.0000000 -2.7021681 18 O -2.3166506 0.0000000 0.2101940 0.0000000 -1.3784943 0.0000000 0.2275481 0.0000000 -2.6873866 19 O -1.9931235 -0.0409512 -0.3600986 -0.0069410 -2.7569482 0.0160021 -0.3488639 -0.0078804 -1.5921098 20 O -2.1729418 -0.1257057 -0.4104751 -0.0515940 -2.7697129 -0.0198009 -0.4268235 -0.0434310 -1.5249301 21 O -2.1729418 0.1257057 -0.4104751 0.0515940 -2.7697129 0.0198009 -0.4268235 0.0434310 -1.5249301 22 O -1.9931235 -0.0409512 -0.3600986 -0.0069410 -2.7569482 0.0160021 -0.3488639 -0.0078804 -1.5921098 23 O -2.1729418 0.1257057 -0.4104751 0.0515940 -2.7697129 0.0198009 -0.4268235 0.0434310 -1.5249301 24 O -2.1729418 -0.1257057 -0.4104751 -0.0515940 -2.7697129 -0.0198009 -0.4268235 -0.0434310 -1.5249301 25 O -2.3166506 0.0000000 0.2101940 0.0000000 -1.3784943 0.0000000 0.2275481 0.0000000 -2.6873866 26 O -3.5771429 0.0000000 0.4930277 0.0000000 -1.2974188 0.0000000 0.4446145 0.0000000 -2.4514296 27 O -2.3853455 0.0000000 0.1864771 0.0000000 -1.3181306 0.0000000 0.1452903 0.0000000 -2.7021681 28 O -2.3782317 0.0000000 -0.3700434 0.0000000 -1.2864584 0.0000000 -0.3103927 0.0000000 -3.6761873 29 O -2.4353165 0.0000000 0.2073987 0.0000000 -1.3758151 0.0000000 0.2344025 0.0000000 -2.6012075 30 O -1.9931235 0.0409512 -0.3600986 0.0069410 -2.7569482 -0.0160021 -0.3488639 0.0078804 -1.5921098 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 20628/20628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4302 Number of blocks in projector: 4302 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: 1118 Use submatrix version of eigh solver. (1) Block: 500 / 1118 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1118 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1118 / 1118 (1) 107 eigenvectors found. (1) Complementary block size: 61 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 686 Use submatrix version of eigh solver. (1) Block: 500 / 686 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 686 / 686 (1) 182 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 686 Use submatrix version of eigh solver. (1) Block: 500 / 686 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 686 / 686 (1) 182 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 604 / 604 (1) 97 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 604 / 604 (1) 92 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 604 / 604 (1) 92 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (4302, 4225), data: False |-- (604, 590), data: False |-- (604, 12), data: (604, 26) @ (26, 12) |-- (104, 92), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (604, 590), data: False |-- (604, 12), data: (604, 26) @ (26, 12) |-- (104, 92), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (604, 590), data: False |-- (604, 7), data: (604, 21) @ (21, 7) |-- (104, 97), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (686, 682), data: False |-- (686, 4), data: (686, 8) @ (8, 4) |-- (186, 182), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (686, 682), data: False |-- (686, 4), data: (686, 8) @ (8, 4) |-- (186, 182), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (1118, 1091), data: False |-- (1118, 34), data: (1118, 61) @ (61, 34) |-- (118, 107), data: True |-- (500, 477), data: False |-- (500, 17), data: (500, 40) @ (40, 17) |-- (250, 233), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 22), data: (500, 49) @ (49, 22) |-- (250, 224), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.035 Solver_block: 200 / 960 - Time: 0.897 Solver_block: 300 / 960 - Time: 0.897 Solver_block: 400 / 960 - Time: 0.896 Solver_block: 500 / 960 - Time: 0.895 Solver_block: 600 / 960 - Time: 0.897 Solver_block: 700 / 960 - Time: 0.898 Solver_block: 800 / 960 - Time: 0.898 Solver_block: 900 / 960 - Time: 0.904 Solver_block: 960 / 960 - Time: 0.637 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 20628/20628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4302 Number of blocks in projector: 4302 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: 1118 Use submatrix version of eigh solver. (1) Block: 500 / 1118 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1118 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1118 / 1118 (1) 107 eigenvectors found. (1) Complementary block size: 61 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 686 Use submatrix version of eigh solver. (1) Block: 500 / 686 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 686 / 686 (1) 182 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 686 Use submatrix version of eigh solver. (1) Block: 500 / 686 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 686 / 686 (1) 182 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 604 / 604 (1) 97 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 604 / 604 (1) 92 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 604 / 604 (1) 92 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (4302, 4225), data: False |-- (604, 590), data: False |-- (604, 12), data: (604, 26) @ (26, 12) |-- (104, 92), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (604, 590), data: False |-- (604, 12), data: (604, 26) @ (26, 12) |-- (104, 92), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (604, 590), data: False |-- (604, 7), data: (604, 21) @ (21, 7) |-- (104, 97), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (686, 682), data: False |-- (686, 4), data: (686, 8) @ (8, 4) |-- (186, 182), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (686, 682), data: False |-- (686, 4), data: (686, 8) @ (8, 4) |-- (186, 182), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (1118, 1091), data: False |-- (1118, 34), data: (1118, 61) @ (61, 34) |-- (118, 107), data: True |-- (500, 477), data: False |-- (500, 17), data: (500, 40) @ (40, 17) |-- (250, 233), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 22), data: (500, 49) @ (49, 22) |-- (250, 224), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:37:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:37:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.217221180027009 -3.360943015000000 0.000000000000000 b 7.217221180027009 3.360943015000000 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 2 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 3 Sn 0.80257708987070 0.80257708987070 0.80104987806655 118.710 4 Sn 0.60092794420489 0.60092794420489 0.59845777512133 118.710 5 Sn 0.40140725249319 0.40140725249319 0.90254820149682 118.710 6 Sn 0.80061047421578 0.80061047421578 0.29805998239803 118.710 7 Sn 0.19938952578422 0.19938952578422 0.70194001760197 118.710 8 Sn 0.59859274750681 0.59859274750681 0.09745179850318 118.710 9 Sn 0.39907205579511 0.39907205579511 0.40154222487867 118.710 10 Sn 0.19742291012930 0.19742291012930 0.19895012193345 118.710 11 O 0.29824921875698 0.70175078124302 0.00000000000000 15.999 12 O 0.29533010344398 0.90678155321470 0.59455238983726 15.999 13 O 0.70175078124302 0.29824921875698 0.00000000000000 15.999 14 O 0.66217171828252 0.66217171828252 0.85445021064591 15.999 15 O 0.94391643613931 0.94391643613931 0.75421407456298 15.999 16 O 0.13225486390660 0.13225486390660 0.94290989175426 15.999 17 O 0.74015905768514 0.74015905768514 0.54467227440149 15.999 18 O 0.53804012517249 0.53804012517249 0.34341189265004 15.999 19 O 0.90678155321470 0.29533010344398 0.59455238983726 15.999 20 O 0.10618635181376 0.49427743027703 0.80286397469250 15.999 21 O 0.50572256972297 0.89381364818624 0.19713602530750 15.999 22 O 0.09321844678530 0.70466989655602 0.40544761016274 15.999 23 O 0.49427743027703 0.10618635181376 0.80286397469250 15.999 24 O 0.89381364818624 0.50572256972297 0.19713602530750 15.999 25 O 0.46195987482751 0.46195987482751 0.65658810734996 15.999 26 O 0.86774513609340 0.86774513609340 0.05709010824574 15.999 27 O 0.25984094231486 0.25984094231486 0.45532772559851 15.999 28 O 0.05608356386069 0.05608356386069 0.24578592543702 15.999 29 O 0.33782828171748 0.33782828171748 0.14554978935409 15.999 30 O 0.70466989655602 0.09321844678530 0.40544761016274 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.434442360054017 0.000000000000000 0.000000000000000 b 0.000000000000000 13.443772059999999 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 1 2 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 1 3 Ti 0.50000000000000 0.25000000000000 0.00000000000000 47.867 > 1 4 Ti 0.50000000000000 0.75000000000000 0.00000000000000 47.867 > 1 5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 5 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 5 7 Sn 0.80257708987070 0.00000000000000 0.80104987806655 118.710 > 7 8 Sn 0.80257708987070 0.50000000000000 0.80104987806655 118.710 > 7 9 Sn 0.60092794420489 0.00000000000000 0.59845777512133 118.710 > 9 10 Sn 0.60092794420489 0.50000000000000 0.59845777512133 118.710 > 9 11 Sn 0.90140725249319 0.25000000000000 0.90254820149682 118.710 > 11 12 Sn 0.90140725249319 0.75000000000000 0.90254820149682 118.710 > 11 13 Sn 0.80061047421578 0.00000000000000 0.29805998239803 118.710 > 13 14 Sn 0.80061047421578 0.50000000000000 0.29805998239803 118.710 > 13 15 Sn 0.69938952578422 0.25000000000000 0.70194001760197 118.710 > 15 16 Sn 0.69938952578422 0.75000000000000 0.70194001760197 118.710 > 15 17 Sn 0.59859274750681 0.00000000000000 0.09745179850318 118.710 > 17 18 Sn 0.59859274750681 0.50000000000000 0.09745179850318 118.710 > 17 19 Sn 0.89907205579511 0.25000000000000 0.40154222487867 118.710 > 19 20 Sn 0.89907205579511 0.75000000000000 0.40154222487867 118.710 > 19 21 Sn 0.69742291012930 0.25000000000000 0.19895012193345 118.710 > 21 22 Sn 0.69742291012930 0.75000000000000 0.19895012193345 118.710 > 21 23 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 5 24 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 5 25 Sn 0.30257708987070 0.25000000000000 0.80104987806655 118.710 > 7 26 Sn 0.30257708987070 0.75000000000000 0.80104987806655 118.710 > 7 27 Sn 0.10092794420489 0.25000000000000 0.59845777512133 118.710 > 9 28 Sn 0.10092794420489 0.75000000000000 0.59845777512133 118.710 > 9 29 Sn 0.40140725249319 0.00000000000000 0.90254820149682 118.710 > 11 30 Sn 0.40140725249319 0.50000000000000 0.90254820149682 118.710 > 11 31 Sn 0.30061047421578 0.25000000000000 0.29805998239803 118.710 > 13 32 Sn 0.30061047421578 0.75000000000000 0.29805998239803 118.710 > 13 33 Sn 0.19938952578422 0.00000000000000 0.70194001760197 118.710 > 15 34 Sn 0.19938952578422 0.50000000000000 0.70194001760197 118.710 > 15 35 Sn 0.09859274750681 0.25000000000000 0.09745179850318 118.710 > 17 36 Sn 0.09859274750681 0.75000000000000 0.09745179850318 118.710 > 17 37 Sn 0.39907205579511 0.00000000000000 0.40154222487867 118.710 > 19 38 Sn 0.39907205579511 0.50000000000000 0.40154222487867 118.710 > 19 39 Sn 0.19742291012930 0.00000000000000 0.19895012193345 118.710 > 21 40 Sn 0.19742291012930 0.50000000000000 0.19895012193345 118.710 > 21 41 O 0.00000000000000 0.35087539062151 0.00000000000000 15.999 > 41 42 O 0.00000000000000 0.85087539062151 0.00000000000000 15.999 > 41 43 O 0.60105582832934 0.15286286244268 0.59455238983726 15.999 > 43 44 O 0.60105582832934 0.65286286244268 0.59455238983726 15.999 > 43 45 O 0.00000000000000 0.14912460937849 0.00000000000000 15.999 > 45 46 O 0.00000000000000 0.64912460937849 0.00000000000000 15.999 > 45 47 O 0.66217171828252 0.00000000000000 0.85445021064591 15.999 > 47 48 O 0.66217171828252 0.50000000000000 0.85445021064591 15.999 > 47 49 O 0.94391643613931 0.00000000000000 0.75421407456298 15.999 > 49 50 O 0.94391643613931 0.50000000000000 0.75421407456298 15.999 > 49 51 O 0.63225486390660 0.25000000000000 0.94290989175426 15.999 > 51 52 O 0.63225486390660 0.75000000000000 0.94290989175426 15.999 > 51 53 O 0.74015905768514 0.00000000000000 0.54467227440149 15.999 > 53 54 O 0.74015905768514 0.50000000000000 0.54467227440149 15.999 > 53 55 O 0.53804012517249 0.00000000000000 0.34341189265004 15.999 > 55 56 O 0.53804012517249 0.50000000000000 0.34341189265004 15.999 > 55 57 O 0.60105582832934 0.34713713755732 0.59455238983726 15.999 > 57 58 O 0.60105582832934 0.84713713755732 0.59455238983726 15.999 > 57 59 O 0.80023189104539 0.34702276961582 0.80286397469250 15.999 > 59 60 O 0.80023189104539 0.84702276961582 0.80286397469250 15.999 > 59 61 O 0.69976810895461 0.09702276961582 0.19713602530750 15.999 > 61 62 O 0.69976810895461 0.59702276961582 0.19713602530750 15.999 > 61 63 O 0.89894417167066 0.40286286244268 0.40544761016274 15.999 > 63 64 O 0.89894417167066 0.90286286244268 0.40544761016274 15.999 > 63 65 O 0.80023189104539 0.15297723038418 0.80286397469250 15.999 > 65 66 O 0.80023189104539 0.65297723038418 0.80286397469250 15.999 > 65 67 O 0.69976810895461 0.40297723038418 0.19713602530750 15.999 > 67 68 O 0.69976810895461 0.90297723038418 0.19713602530750 15.999 > 67 69 O 0.96195987482751 0.25000000000000 0.65658810734996 15.999 > 69 70 O 0.96195987482751 0.75000000000000 0.65658810734996 15.999 > 69 71 O 0.86774513609340 0.00000000000000 0.05709010824574 15.999 > 71 72 O 0.86774513609340 0.50000000000000 0.05709010824574 15.999 > 71 73 O 0.75984094231486 0.25000000000000 0.45532772559851 15.999 > 73 74 O 0.75984094231486 0.75000000000000 0.45532772559851 15.999 > 73 75 O 0.55608356386069 0.25000000000000 0.24578592543702 15.999 > 75 76 O 0.55608356386069 0.75000000000000 0.24578592543702 15.999 > 75 77 O 0.83782828171748 0.25000000000000 0.14554978935409 15.999 > 77 78 O 0.83782828171748 0.75000000000000 0.14554978935409 15.999 > 77 79 O 0.89894417167066 0.09713713755732 0.40544761016274 15.999 > 79 80 O 0.89894417167066 0.59713713755732 0.40544761016274 15.999 > 79 81 O 0.50000000000000 0.10087539062151 0.00000000000000 15.999 > 41 82 O 0.50000000000000 0.60087539062151 0.00000000000000 15.999 > 41 83 O 0.10105582832934 0.40286286244268 0.59455238983726 15.999 > 43 84 O 0.10105582832934 0.90286286244268 0.59455238983726 15.999 > 43 85 O 0.50000000000000 0.39912460937849 0.00000000000000 15.999 > 45 86 O 0.50000000000000 0.89912460937849 0.00000000000000 15.999 > 45 87 O 0.16217171828252 0.25000000000000 0.85445021064591 15.999 > 47 88 O 0.16217171828252 0.75000000000000 0.85445021064591 15.999 > 47 89 O 0.44391643613931 0.25000000000000 0.75421407456298 15.999 > 49 90 O 0.44391643613931 0.75000000000000 0.75421407456298 15.999 > 49 91 O 0.13225486390660 0.00000000000000 0.94290989175426 15.999 > 51 92 O 0.13225486390660 0.50000000000000 0.94290989175426 15.999 > 51 93 O 0.24015905768514 0.25000000000000 0.54467227440149 15.999 > 53 94 O 0.24015905768514 0.75000000000000 0.54467227440149 15.999 > 53 95 O 0.03804012517249 0.25000000000000 0.34341189265004 15.999 > 55 96 O 0.03804012517249 0.75000000000000 0.34341189265004 15.999 > 55 97 O 0.10105582832934 0.09713713755732 0.59455238983726 15.999 > 57 98 O 0.10105582832934 0.59713713755732 0.59455238983726 15.999 > 57 99 O 0.30023189104539 0.09702276961582 0.80286397469250 15.999 > 59 100 O 0.30023189104539 0.59702276961582 0.80286397469250 15.999 > 59 101 O 0.19976810895461 0.34702276961582 0.19713602530750 15.999 > 61 102 O 0.19976810895461 0.84702276961582 0.19713602530750 15.999 > 61 103 O 0.39894417167066 0.15286286244268 0.40544761016274 15.999 > 63 104 O 0.39894417167066 0.65286286244268 0.40544761016274 15.999 > 63 105 O 0.30023189104539 0.40297723038418 0.80286397469250 15.999 > 65 106 O 0.30023189104539 0.90297723038418 0.80286397469250 15.999 > 65 107 O 0.19976810895461 0.15297723038418 0.19713602530750 15.999 > 67 108 O 0.19976810895461 0.65297723038418 0.19713602530750 15.999 > 67 109 O 0.46195987482751 0.00000000000000 0.65658810734996 15.999 > 69 110 O 0.46195987482751 0.50000000000000 0.65658810734996 15.999 > 69 111 O 0.36774513609340 0.25000000000000 0.05709010824574 15.999 > 71 112 O 0.36774513609340 0.75000000000000 0.05709010824574 15.999 > 71 113 O 0.25984094231486 0.00000000000000 0.45532772559851 15.999 > 73 114 O 0.25984094231486 0.50000000000000 0.45532772559851 15.999 > 73 115 O 0.05608356386069 0.00000000000000 0.24578592543702 15.999 > 75 116 O 0.05608356386069 0.50000000000000 0.24578592543702 15.999 > 75 117 O 0.33782828171748 0.00000000000000 0.14554978935409 15.999 > 77 118 O 0.33782828171748 0.50000000000000 0.14554978935409 15.999 > 77 119 O 0.39894417167066 0.34713713755732 0.40544761016274 15.999 > 79 120 O 0.39894417167066 0.84713713755732 0.40544761016274 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9890971 0.0000000 0.2015071 0.0000000 4.8101755 0.0000000 0.2015022 0.0000000 4.7468809 -------------------------- Born effective charges -------------------------- 1 Ti 6.1579887 0.0000000 0.7398186 0.0000000 6.3197528 0.0000000 0.6747821 0.0000000 5.1943631 2 Sn 4.2075164 0.0000000 0.2070998 0.0000000 3.6939581 0.0000000 -0.2623651 0.0000000 5.2220806 3 Sn 4.6301822 0.0000000 0.6761373 0.0000000 4.4808261 0.0000000 0.7016681 0.0000000 3.6528835 4 Sn 4.2817441 0.0000000 0.3455885 0.0000000 4.5423511 0.0000000 0.3545705 0.0000000 3.8399294 5 Sn 4.4018857 0.0000000 -0.0844794 0.0000000 4.1207242 0.0000000 -0.0961203 0.0000000 4.4487702 6 Sn 4.8004331 0.0000000 -0.2841724 0.0000000 3.7310897 0.0000000 -0.0450073 0.0000000 4.6227206 7 Sn 4.8004331 0.0000000 -0.2841724 0.0000000 3.7310897 0.0000000 -0.0450073 0.0000000 4.6227206 8 Sn 4.4018857 0.0000000 -0.0844794 0.0000000 4.1207242 0.0000000 -0.0961203 0.0000000 4.4487702 9 Sn 4.2817441 0.0000000 0.3455885 0.0000000 4.5423511 0.0000000 0.3545705 0.0000000 3.8399294 10 Sn 4.6301822 0.0000000 0.6761373 0.0000000 4.4808261 0.0000000 0.7016681 0.0000000 3.6528835 11 O -1.8721796 0.0000000 -0.3124398 0.0000000 -4.1722071 0.0000000 -0.3114075 0.0000000 -1.4200664 12 O -1.9931235 0.0409512 -0.3600986 0.0069410 -2.7569482 -0.0160021 -0.3488639 0.0078804 -1.5921098 13 O -1.8721796 0.0000000 -0.3124398 0.0000000 -4.1722071 0.0000000 -0.3114075 0.0000000 -1.4200664 14 O -2.4353165 0.0000000 0.2073987 0.0000000 -1.3758151 0.0000000 0.2344025 0.0000000 -2.6012075 15 O -2.3782317 0.0000000 -0.3700434 0.0000000 -1.2864584 0.0000000 -0.3103927 0.0000000 -3.6761873 16 O -3.5771429 0.0000000 0.4930277 0.0000000 -1.2974188 0.0000000 0.4446145 0.0000000 -2.4514296 17 O -2.3853455 0.0000000 0.1864771 0.0000000 -1.3181306 0.0000000 0.1452903 0.0000000 -2.7021681 18 O -2.3166506 0.0000000 0.2101940 0.0000000 -1.3784943 0.0000000 0.2275481 0.0000000 -2.6873866 19 O -1.9931235 -0.0409512 -0.3600986 -0.0069410 -2.7569482 0.0160021 -0.3488639 -0.0078804 -1.5921098 20 O -2.1729418 -0.1257057 -0.4104751 -0.0515940 -2.7697129 -0.0198009 -0.4268235 -0.0434310 -1.5249301 21 O -2.1729418 0.1257057 -0.4104751 0.0515940 -2.7697129 0.0198009 -0.4268235 0.0434310 -1.5249301 22 O -1.9931235 -0.0409512 -0.3600986 -0.0069410 -2.7569482 0.0160021 -0.3488639 -0.0078804 -1.5921098 23 O -2.1729418 0.1257057 -0.4104751 0.0515940 -2.7697129 0.0198009 -0.4268235 0.0434310 -1.5249301 24 O -2.1729418 -0.1257057 -0.4104751 -0.0515940 -2.7697129 -0.0198009 -0.4268235 -0.0434310 -1.5249301 25 O -2.3166506 0.0000000 0.2101940 0.0000000 -1.3784943 0.0000000 0.2275481 0.0000000 -2.6873866 26 O -3.5771429 0.0000000 0.4930277 0.0000000 -1.2974188 0.0000000 0.4446145 0.0000000 -2.4514296 27 O -2.3853455 0.0000000 0.1864771 0.0000000 -1.3181306 0.0000000 0.1452903 0.0000000 -2.7021681 28 O -2.3782317 0.0000000 -0.3700434 0.0000000 -1.2864584 0.0000000 -0.3103927 0.0000000 -3.6761873 29 O -2.4353165 0.0000000 0.2073987 0.0000000 -1.3758151 0.0000000 0.2344025 0.0000000 -2.6012075 30 O -1.9931235 0.0409512 -0.3600986 0.0069410 -2.7569482 -0.0160021 -0.3488639 0.0078804 -1.5921098 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 47, 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] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 55, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 59, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 2026-01-09 00:38:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:38:20]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.217221180027009 -3.360943015000000 0.000000000000000 b 7.217221180027009 3.360943015000000 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 2 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 3 Sn 0.80257708987070 0.80257708987070 0.80104987806655 118.710 4 Sn 0.60092794420489 0.60092794420489 0.59845777512133 118.710 5 Sn 0.40140725249319 0.40140725249319 0.90254820149682 118.710 6 Sn 0.80061047421578 0.80061047421578 0.29805998239803 118.710 7 Sn 0.19938952578422 0.19938952578422 0.70194001760197 118.710 8 Sn 0.59859274750681 0.59859274750681 0.09745179850318 118.710 9 Sn 0.39907205579511 0.39907205579511 0.40154222487867 118.710 10 Sn 0.19742291012930 0.19742291012930 0.19895012193345 118.710 11 O 0.29824921875698 0.70175078124302 0.00000000000000 15.999 12 O 0.29533010344398 0.90678155321470 0.59455238983726 15.999 13 O 0.70175078124302 0.29824921875698 0.00000000000000 15.999 14 O 0.66217171828252 0.66217171828252 0.85445021064591 15.999 15 O 0.94391643613931 0.94391643613931 0.75421407456298 15.999 16 O 0.13225486390660 0.13225486390660 0.94290989175426 15.999 17 O 0.74015905768514 0.74015905768514 0.54467227440149 15.999 18 O 0.53804012517249 0.53804012517249 0.34341189265004 15.999 19 O 0.90678155321470 0.29533010344398 0.59455238983726 15.999 20 O 0.10618635181376 0.49427743027703 0.80286397469250 15.999 21 O 0.50572256972297 0.89381364818624 0.19713602530750 15.999 22 O 0.09321844678530 0.70466989655602 0.40544761016274 15.999 23 O 0.49427743027703 0.10618635181376 0.80286397469250 15.999 24 O 0.89381364818624 0.50572256972297 0.19713602530750 15.999 25 O 0.46195987482751 0.46195987482751 0.65658810734996 15.999 26 O 0.86774513609340 0.86774513609340 0.05709010824574 15.999 27 O 0.25984094231486 0.25984094231486 0.45532772559851 15.999 28 O 0.05608356386069 0.05608356386069 0.24578592543702 15.999 29 O 0.33782828171748 0.33782828171748 0.14554978935409 15.999 30 O 0.70466989655602 0.09321844678530 0.40544761016274 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.434442360054017 0.000000000000000 0.000000000000000 b 0.000000000000000 13.443772059999999 0.000000000000000 c -0.311900240513117 0.000000000000000 7.438174533329972 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 1 2 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 1 3 Ti 0.50000000000000 0.25000000000000 0.00000000000000 47.867 > 1 4 Ti 0.50000000000000 0.75000000000000 0.00000000000000 47.867 > 1 5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 5 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 5 7 Sn 0.80257708987070 0.00000000000000 0.80104987806655 118.710 > 7 8 Sn 0.80257708987070 0.50000000000000 0.80104987806655 118.710 > 7 9 Sn 0.60092794420489 0.00000000000000 0.59845777512133 118.710 > 9 10 Sn 0.60092794420489 0.50000000000000 0.59845777512133 118.710 > 9 11 Sn 0.90140725249319 0.25000000000000 0.90254820149682 118.710 > 11 12 Sn 0.90140725249319 0.75000000000000 0.90254820149682 118.710 > 11 13 Sn 0.80061047421578 0.00000000000000 0.29805998239803 118.710 > 13 14 Sn 0.80061047421578 0.50000000000000 0.29805998239803 118.710 > 13 15 Sn 0.69938952578422 0.25000000000000 0.70194001760197 118.710 > 15 16 Sn 0.69938952578422 0.75000000000000 0.70194001760197 118.710 > 15 17 Sn 0.59859274750681 0.00000000000000 0.09745179850318 118.710 > 17 18 Sn 0.59859274750681 0.50000000000000 0.09745179850318 118.710 > 17 19 Sn 0.89907205579511 0.25000000000000 0.40154222487867 118.710 > 19 20 Sn 0.89907205579511 0.75000000000000 0.40154222487867 118.710 > 19 21 Sn 0.69742291012930 0.25000000000000 0.19895012193345 118.710 > 21 22 Sn 0.69742291012930 0.75000000000000 0.19895012193345 118.710 > 21 23 Sn 0.50000000000000 0.25000000000000 0.50000000000000 118.710 > 5 24 Sn 0.50000000000000 0.75000000000000 0.50000000000000 118.710 > 5 25 Sn 0.30257708987070 0.25000000000000 0.80104987806655 118.710 > 7 26 Sn 0.30257708987070 0.75000000000000 0.80104987806655 118.710 > 7 27 Sn 0.10092794420489 0.25000000000000 0.59845777512133 118.710 > 9 28 Sn 0.10092794420489 0.75000000000000 0.59845777512133 118.710 > 9 29 Sn 0.40140725249319 0.00000000000000 0.90254820149682 118.710 > 11 30 Sn 0.40140725249319 0.50000000000000 0.90254820149682 118.710 > 11 31 Sn 0.30061047421578 0.25000000000000 0.29805998239803 118.710 > 13 32 Sn 0.30061047421578 0.75000000000000 0.29805998239803 118.710 > 13 33 Sn 0.19938952578422 0.00000000000000 0.70194001760197 118.710 > 15 34 Sn 0.19938952578422 0.50000000000000 0.70194001760197 118.710 > 15 35 Sn 0.09859274750681 0.25000000000000 0.09745179850318 118.710 > 17 36 Sn 0.09859274750681 0.75000000000000 0.09745179850318 118.710 > 17 37 Sn 0.39907205579511 0.00000000000000 0.40154222487867 118.710 > 19 38 Sn 0.39907205579511 0.50000000000000 0.40154222487867 118.710 > 19 39 Sn 0.19742291012930 0.00000000000000 0.19895012193345 118.710 > 21 40 Sn 0.19742291012930 0.50000000000000 0.19895012193345 118.710 > 21 41 O 0.00000000000000 0.35087539062151 0.00000000000000 15.999 > 41 42 O 0.00000000000000 0.85087539062151 0.00000000000000 15.999 > 41 43 O 0.60105582832934 0.15286286244268 0.59455238983726 15.999 > 43 44 O 0.60105582832934 0.65286286244268 0.59455238983726 15.999 > 43 45 O 0.00000000000000 0.14912460937849 0.00000000000000 15.999 > 45 46 O 0.00000000000000 0.64912460937849 0.00000000000000 15.999 > 45 47 O 0.66217171828252 0.00000000000000 0.85445021064591 15.999 > 47 48 O 0.66217171828252 0.50000000000000 0.85445021064591 15.999 > 47 49 O 0.94391643613931 0.00000000000000 0.75421407456298 15.999 > 49 50 O 0.94391643613931 0.50000000000000 0.75421407456298 15.999 > 49 51 O 0.63225486390660 0.25000000000000 0.94290989175426 15.999 > 51 52 O 0.63225486390660 0.75000000000000 0.94290989175426 15.999 > 51 53 O 0.74015905768514 0.00000000000000 0.54467227440149 15.999 > 53 54 O 0.74015905768514 0.50000000000000 0.54467227440149 15.999 > 53 55 O 0.53804012517249 0.00000000000000 0.34341189265004 15.999 > 55 56 O 0.53804012517249 0.50000000000000 0.34341189265004 15.999 > 55 57 O 0.60105582832934 0.34713713755732 0.59455238983726 15.999 > 57 58 O 0.60105582832934 0.84713713755732 0.59455238983726 15.999 > 57 59 O 0.80023189104539 0.34702276961582 0.80286397469250 15.999 > 59 60 O 0.80023189104539 0.84702276961582 0.80286397469250 15.999 > 59 61 O 0.69976810895461 0.09702276961582 0.19713602530750 15.999 > 61 62 O 0.69976810895461 0.59702276961582 0.19713602530750 15.999 > 61 63 O 0.89894417167066 0.40286286244268 0.40544761016274 15.999 > 63 64 O 0.89894417167066 0.90286286244268 0.40544761016274 15.999 > 63 65 O 0.80023189104539 0.15297723038418 0.80286397469250 15.999 > 65 66 O 0.80023189104539 0.65297723038418 0.80286397469250 15.999 > 65 67 O 0.69976810895461 0.40297723038418 0.19713602530750 15.999 > 67 68 O 0.69976810895461 0.90297723038418 0.19713602530750 15.999 > 67 69 O 0.96195987482751 0.25000000000000 0.65658810734996 15.999 > 69 70 O 0.96195987482751 0.75000000000000 0.65658810734996 15.999 > 69 71 O 0.86774513609340 0.00000000000000 0.05709010824574 15.999 > 71 72 O 0.86774513609340 0.50000000000000 0.05709010824574 15.999 > 71 73 O 0.75984094231486 0.25000000000000 0.45532772559851 15.999 > 73 74 O 0.75984094231486 0.75000000000000 0.45532772559851 15.999 > 73 75 O 0.55608356386069 0.25000000000000 0.24578592543702 15.999 > 75 76 O 0.55608356386069 0.75000000000000 0.24578592543702 15.999 > 75 77 O 0.83782828171748 0.25000000000000 0.14554978935409 15.999 > 77 78 O 0.83782828171748 0.75000000000000 0.14554978935409 15.999 > 77 79 O 0.89894417167066 0.09713713755732 0.40544761016274 15.999 > 79 80 O 0.89894417167066 0.59713713755732 0.40544761016274 15.999 > 79 81 O 0.50000000000000 0.10087539062151 0.00000000000000 15.999 > 41 82 O 0.50000000000000 0.60087539062151 0.00000000000000 15.999 > 41 83 O 0.10105582832934 0.40286286244268 0.59455238983726 15.999 > 43 84 O 0.10105582832934 0.90286286244268 0.59455238983726 15.999 > 43 85 O 0.50000000000000 0.39912460937849 0.00000000000000 15.999 > 45 86 O 0.50000000000000 0.89912460937849 0.00000000000000 15.999 > 45 87 O 0.16217171828252 0.25000000000000 0.85445021064591 15.999 > 47 88 O 0.16217171828252 0.75000000000000 0.85445021064591 15.999 > 47 89 O 0.44391643613931 0.25000000000000 0.75421407456298 15.999 > 49 90 O 0.44391643613931 0.75000000000000 0.75421407456298 15.999 > 49 91 O 0.13225486390660 0.00000000000000 0.94290989175426 15.999 > 51 92 O 0.13225486390660 0.50000000000000 0.94290989175426 15.999 > 51 93 O 0.24015905768514 0.25000000000000 0.54467227440149 15.999 > 53 94 O 0.24015905768514 0.75000000000000 0.54467227440149 15.999 > 53 95 O 0.03804012517249 0.25000000000000 0.34341189265004 15.999 > 55 96 O 0.03804012517249 0.75000000000000 0.34341189265004 15.999 > 55 97 O 0.10105582832934 0.09713713755732 0.59455238983726 15.999 > 57 98 O 0.10105582832934 0.59713713755732 0.59455238983726 15.999 > 57 99 O 0.30023189104539 0.09702276961582 0.80286397469250 15.999 > 59 100 O 0.30023189104539 0.59702276961582 0.80286397469250 15.999 > 59 101 O 0.19976810895461 0.34702276961582 0.19713602530750 15.999 > 61 102 O 0.19976810895461 0.84702276961582 0.19713602530750 15.999 > 61 103 O 0.39894417167066 0.15286286244268 0.40544761016274 15.999 > 63 104 O 0.39894417167066 0.65286286244268 0.40544761016274 15.999 > 63 105 O 0.30023189104539 0.40297723038418 0.80286397469250 15.999 > 65 106 O 0.30023189104539 0.90297723038418 0.80286397469250 15.999 > 65 107 O 0.19976810895461 0.15297723038418 0.19713602530750 15.999 > 67 108 O 0.19976810895461 0.65297723038418 0.19713602530750 15.999 > 67 109 O 0.46195987482751 0.00000000000000 0.65658810734996 15.999 > 69 110 O 0.46195987482751 0.50000000000000 0.65658810734996 15.999 > 69 111 O 0.36774513609340 0.25000000000000 0.05709010824574 15.999 > 71 112 O 0.36774513609340 0.75000000000000 0.05709010824574 15.999 > 71 113 O 0.25984094231486 0.00000000000000 0.45532772559851 15.999 > 73 114 O 0.25984094231486 0.50000000000000 0.45532772559851 15.999 > 73 115 O 0.05608356386069 0.00000000000000 0.24578592543702 15.999 > 75 116 O 0.05608356386069 0.50000000000000 0.24578592543702 15.999 > 75 117 O 0.33782828171748 0.00000000000000 0.14554978935409 15.999 > 77 118 O 0.33782828171748 0.50000000000000 0.14554978935409 15.999 > 77 119 O 0.39894417167066 0.34713713755732 0.40544761016274 15.999 > 79 120 O 0.39894417167066 0.84713713755732 0.40544761016274 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9890971 0.0000000 0.2015071 0.0000000 4.8101755 0.0000000 0.2015022 0.0000000 4.7468809 -------------------------- Born effective charges -------------------------- 1 Ti 6.1579887 0.0000000 0.7398186 0.0000000 6.3197528 0.0000000 0.6747821 0.0000000 5.1943631 2 Sn 4.2075164 0.0000000 0.2070998 0.0000000 3.6939581 0.0000000 -0.2623651 0.0000000 5.2220806 3 Sn 4.6301822 0.0000000 0.6761373 0.0000000 4.4808261 0.0000000 0.7016681 0.0000000 3.6528835 4 Sn 4.2817441 0.0000000 0.3455885 0.0000000 4.5423511 0.0000000 0.3545705 0.0000000 3.8399294 5 Sn 4.4018857 0.0000000 -0.0844794 0.0000000 4.1207242 0.0000000 -0.0961203 0.0000000 4.4487702 6 Sn 4.8004331 0.0000000 -0.2841724 0.0000000 3.7310897 0.0000000 -0.0450073 0.0000000 4.6227206 7 Sn 4.8004331 0.0000000 -0.2841724 0.0000000 3.7310897 0.0000000 -0.0450073 0.0000000 4.6227206 8 Sn 4.4018857 0.0000000 -0.0844794 0.0000000 4.1207242 0.0000000 -0.0961203 0.0000000 4.4487702 9 Sn 4.2817441 0.0000000 0.3455885 0.0000000 4.5423511 0.0000000 0.3545705 0.0000000 3.8399294 10 Sn 4.6301822 0.0000000 0.6761373 0.0000000 4.4808261 0.0000000 0.7016681 0.0000000 3.6528835 11 O -1.8721796 0.0000000 -0.3124398 0.0000000 -4.1722071 0.0000000 -0.3114075 0.0000000 -1.4200664 12 O -1.9931235 0.0409512 -0.3600986 0.0069410 -2.7569482 -0.0160021 -0.3488639 0.0078804 -1.5921098 13 O -1.8721796 0.0000000 -0.3124398 0.0000000 -4.1722071 0.0000000 -0.3114075 0.0000000 -1.4200664 14 O -2.4353165 0.0000000 0.2073987 0.0000000 -1.3758151 0.0000000 0.2344025 0.0000000 -2.6012075 15 O -2.3782317 0.0000000 -0.3700434 0.0000000 -1.2864584 0.0000000 -0.3103927 0.0000000 -3.6761873 16 O -3.5771429 0.0000000 0.4930277 0.0000000 -1.2974188 0.0000000 0.4446145 0.0000000 -2.4514296 17 O -2.3853455 0.0000000 0.1864771 0.0000000 -1.3181306 0.0000000 0.1452903 0.0000000 -2.7021681 18 O -2.3166506 0.0000000 0.2101940 0.0000000 -1.3784943 0.0000000 0.2275481 0.0000000 -2.6873866 19 O -1.9931235 -0.0409512 -0.3600986 -0.0069410 -2.7569482 0.0160021 -0.3488639 -0.0078804 -1.5921098 20 O -2.1729418 -0.1257057 -0.4104751 -0.0515940 -2.7697129 -0.0198009 -0.4268235 -0.0434310 -1.5249301 21 O -2.1729418 0.1257057 -0.4104751 0.0515940 -2.7697129 0.0198009 -0.4268235 0.0434310 -1.5249301 22 O -1.9931235 -0.0409512 -0.3600986 -0.0069410 -2.7569482 0.0160021 -0.3488639 -0.0078804 -1.5921098 23 O -2.1729418 0.1257057 -0.4104751 0.0515940 -2.7697129 0.0198009 -0.4268235 0.0434310 -1.5249301 24 O -2.1729418 -0.1257057 -0.4104751 -0.0515940 -2.7697129 -0.0198009 -0.4268235 -0.0434310 -1.5249301 25 O -2.3166506 0.0000000 0.2101940 0.0000000 -1.3784943 0.0000000 0.2275481 0.0000000 -2.6873866 26 O -3.5771429 0.0000000 0.4930277 0.0000000 -1.2974188 0.0000000 0.4446145 0.0000000 -2.4514296 27 O -2.3853455 0.0000000 0.1864771 0.0000000 -1.3181306 0.0000000 0.1452903 0.0000000 -2.7021681 28 O -2.3782317 0.0000000 -0.3700434 0.0000000 -1.2864584 0.0000000 -0.3103927 0.0000000 -3.6761873 29 O -2.4353165 0.0000000 0.2073987 0.0000000 -1.3758151 0.0000000 0.2344025 0.0000000 -2.6012075 30 O -1.9931235 0.0409512 -0.3600986 0.0069410 -2.7569482 -0.0160021 -0.3488639 0.0078804 -1.5921098 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.213 ( 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 3.684 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.603 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 13.638 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.331 ( 0.000 0.000 0.000) 0.000 14.431 ( 0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 14.676 ( 0.000 0.000 0.000) 0.000 14.788 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.392 ( 0.000 0.000 0.000) 0.000 15.466 ( 0.000 0.000 0.000) 0.000 15.649 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.351 ( 0.000 0.000 0.000) 0.000 16.455 ( 0.000 0.000 0.000) 0.000 16.861 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 17.185 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 17.446 ( 0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.610 ( 0.000 0.000 0.000) 0.000 17.871 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 18.742 ( 0.000 0.000 0.000) 0.000 18.760 ( 0.000 0.000 0.000) 0.000 18.852 ( 0.000 0.000 0.000) 0.000 20.036 ( 0.000 0.000 0.000) 0.000 20.915 ( 0.000 0.000 0.000) 0.000 20.986 ( 0.000 0.000 0.000) 0.000 21.323 ( 0.000 0.000 0.000) 0.000 21.372 ( 0.000 0.000 0.000) 0.000 21.635 ( 0.000 0.000 0.000) 0.000 21.680 ( 0.000 0.000 0.000) 0.000 22.190 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 27.609 -17.829 -25.176) 41.400 0.841 ( 29.826 -31.038 6.316) 43.507 1.529 ( 21.526 -70.317 6.560) 73.830 2.827 ( -3.611 -22.873 -3.846) 23.473 2.971 ( 2.871 -18.560 4.205) 19.246 3.012 ( -15.984 2.132 33.344) 37.039 3.273 ( 12.485 1.590 -31.497) 33.918 3.307 ( -4.292 -3.644 -9.187) 10.775 3.342 ( 5.534 -12.618 -2.299) 13.969 3.403 ( 2.342 -3.253 7.803) 8.772 3.677 ( -4.737 -1.682 1.705) 5.308 3.789 ( -7.502 0.423 7.827) 10.849 4.264 ( 9.714 3.277 6.539) 12.160 4.464 ( -5.568 -0.357 5.561) 7.877 4.772 ( 19.673 0.031 -11.002) 22.540 5.112 ( -13.152 -0.902 -10.580) 16.903 5.235 ( -27.932 10.460 -13.662) 32.807 5.451 ( -3.437 12.440 4.491) 13.665 5.614 ( -14.820 3.866 -3.692) 15.754 5.657 ( -2.093 18.269 0.123) 18.389 5.859 ( 0.044 7.973 -3.795) 8.830 6.032 ( -8.326 3.070 -3.720) 9.622 6.070 ( -7.478 5.684 1.305) 9.483 6.325 ( 2.899 -0.037 5.938) 6.608 6.379 ( 13.442 -2.677 9.408) 16.624 6.593 ( 3.371 1.105 -1.053) 3.700 6.661 ( 14.021 2.308 6.579) 15.659 6.740 ( 24.693 1.793 5.075) 25.273 6.847 ( 9.086 -2.765 -0.245) 9.501 7.012 ( 0.433 -2.698 -4.819) 5.540 7.042 ( 0.846 1.074 6.166) 6.316 7.139 ( 1.108 2.388 0.316) 2.652 7.162 ( 0.631 0.374 1.081) 1.306 7.334 ( 0.119 -4.923 0.039) 4.924 7.425 ( -0.551 -1.310 0.829) 1.646 7.774 ( -1.057 0.011 1.471) 1.811 7.832 ( -10.957 5.803 -9.143) 15.406 8.218 ( -19.820 -6.628 -8.816) 22.682 8.324 ( -15.365 1.986 -5.441) 16.420 8.433 ( -10.607 -3.830 3.122) 11.701 8.724 ( 10.692 -0.333 4.292) 11.526 8.797 ( 10.276 -6.749 3.191) 12.701 8.860 ( -6.836 -5.750 3.032) 9.433 8.971 ( -12.306 -7.373 -6.696) 15.831 9.079 ( -22.758 -4.417 -15.834) 28.074 9.456 ( -3.112 2.851 -1.430) 4.456 9.783 ( 8.518 -1.966 -2.177) 9.009 10.204 ( -78.060 -40.542 -38.561) 96.042 10.515 ( 0.808 -1.973 1.358) 2.528 10.580 ( -1.560 1.747 -0.685) 2.440 12.426 ( 10.808 3.646 -6.505) 13.131 12.762 ( 10.929 6.043 10.330) 16.207 12.931 ( 54.287 29.374 33.229) 70.100 13.759 ( 3.499 -2.241 1.411) 4.388 13.879 ( -13.191 5.316 -7.864) 16.251 14.324 ( -2.026 0.531 -0.247) 2.109 14.420 ( -3.423 0.998 0.395) 3.587 14.454 ( 21.099 14.099 28.864) 38.433 14.620 ( -3.662 1.342 2.374) 4.565 14.745 ( 3.949 4.629 -0.012) 6.084 14.782 ( 27.187 22.453 12.923) 37.554 15.046 ( -4.713 -8.981 -6.773) 12.196 15.346 ( 13.569 0.318 10.482) 17.149 15.370 ( -2.995 3.545 6.259) 7.792 15.484 ( 1.371 -4.854 -0.895) 5.122 15.542 ( 4.475 11.839 3.484) 13.127 16.047 ( -8.037 2.213 -1.479) 8.466 16.217 ( 1.070 22.362 -0.160) 22.388 16.343 ( 3.786 18.094 -2.453) 18.648 16.364 ( 4.479 3.973 -0.927) 6.058 16.488 ( 3.460 3.466 -5.755) 7.557 16.752 ( 2.576 3.509 -1.071) 4.483 17.424 ( 1.492 0.066 -2.544) 2.950 17.584 ( 0.790 -15.701 -0.500) 15.729 17.621 ( -0.329 -5.169 -0.975) 5.271 17.764 ( 1.176 -21.806 -1.155) 21.868 17.860 ( -0.189 -22.367 -0.571) 22.375 17.916 ( 5.657 1.857 3.117) 6.721 18.648 ( -13.255 -1.478 11.373) 17.528 18.859 ( 0.383 -1.600 -9.608) 9.748 18.901 ( 14.450 -2.330 0.334) 14.641 20.027 ( -0.758 0.401 2.573) 2.712 20.864 ( -7.756 0.507 -4.667) 9.066 21.016 ( 5.874 0.687 2.607) 6.463 21.310 ( -6.555 -2.401 5.052) 8.617 21.421 ( 3.412 -2.993 -3.726) 5.872 21.497 ( -27.199 -12.219 -16.401) 34.031 21.602 ( -3.126 1.540 -1.127) 3.663 21.700 ( 3.463 -0.459 2.933) 4.561 22.206 ( -3.083 -3.015 -0.855) 4.396 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 26.816 -17.568 -25.109) 40.721 1.672 ( 30.338 -29.858 6.839) 43.112 2.791 ( -18.293 5.826 33.747) 38.826 2.955 ( 18.084 -62.644 4.886) 65.385 3.282 ( -2.559 -5.720 -8.803) 10.806 3.342 ( 8.240 -0.181 -25.718) 27.006 3.368 ( 0.751 -30.942 -0.482) 30.955 3.438 ( 1.315 -10.670 3.854) 11.421 3.520 ( -2.953 -17.200 0.978) 17.479 3.658 ( -6.326 -4.223 -0.576) 7.628 3.748 ( -7.337 -6.184 14.058) 17.021 3.756 ( 7.061 -21.791 -0.510) 22.912 4.301 ( 16.972 5.634 11.968) 21.518 4.447 ( -1.973 -0.882 2.770) 3.513 4.732 ( -29.458 13.635 -9.867) 33.927 4.934 ( 19.959 1.936 -11.860) 23.297 4.997 ( -19.760 -3.632 -18.504) 27.313 5.152 ( -2.338 17.770 -0.829) 17.942 5.260 ( 1.959 21.737 0.716) 21.837 5.428 ( -14.678 1.474 -3.442) 15.149 5.517 ( 2.884 21.747 -0.564) 21.945 5.786 ( -4.619 14.974 6.527) 16.975 6.075 ( -6.328 -3.555 -11.127) 13.285 6.221 ( -9.731 1.314 -1.507) 9.935 6.539 ( 5.175 0.400 12.168) 13.229 6.584 ( 0.547 2.489 0.013) 2.549 6.675 ( 3.869 3.924 4.788) 7.301 6.773 ( 7.659 6.000 4.293) 10.634 6.952 ( 1.263 4.647 1.173) 4.956 7.005 ( -0.215 4.297 -0.078) 4.303 7.125 ( 8.478 -0.449 3.621) 9.230 7.207 ( 19.625 -2.860 3.491) 20.137 7.239 ( 15.971 -0.820 3.782) 16.433 7.446 ( -0.885 0.565 -0.791) 1.315 7.487 ( 3.541 -8.150 2.142) 9.140 7.562 ( 1.860 10.998 -0.789) 11.182 7.761 ( -3.464 -0.304 2.727) 4.419 8.067 ( -8.994 3.949 -2.996) 10.269 8.275 ( -20.172 -9.318 -7.775) 23.541 8.412 ( -13.164 -4.887 0.145) 14.043 8.676 ( -7.163 3.117 1.357) 7.929 8.854 ( -17.963 0.901 -13.479) 22.476 8.861 ( -11.273 -5.057 1.843) 12.492 9.006 ( 1.036 -0.469 -1.590) 1.955 9.188 ( 1.377 -14.042 -1.331) 14.172 9.368 ( 2.126 4.663 1.996) 5.500 9.920 ( 13.108 -2.227 -2.392) 13.510 10.297 ( -26.018 -18.604 -13.136) 34.577 10.515 ( -3.409 2.664 -1.320) 4.524 10.570 ( 2.912 -1.809 2.574) 4.286 12.454 ( 4.744 0.585 -3.958) 6.206 12.706 ( 22.625 16.473 17.064) 32.779 12.893 ( 11.519 5.434 5.185) 13.751 13.610 ( -9.402 10.882 -4.885) 15.188 13.825 ( 7.562 1.082 3.388) 8.356 14.254 ( -6.255 2.458 2.574) 7.197 14.360 ( -5.524 -0.031 -1.885) 5.837 14.451 ( 7.146 7.249 9.646) 14.023 14.520 ( -4.494 3.889 -5.276) 7.947 14.567 ( 2.874 8.706 2.509) 9.505 14.694 ( 6.320 4.367 -3.744) 8.545 15.060 ( -3.702 15.847 0.263) 16.276 15.254 ( 4.503 -3.490 -0.223) 5.701 15.319 ( 3.561 13.130 -1.765) 13.718 15.484 ( 4.049 3.952 4.232) 7.066 15.583 ( 3.806 2.243 9.895) 10.836 15.717 ( 2.564 6.264 -2.003) 7.059 15.932 ( -12.179 1.608 -3.585) 12.797 16.201 ( 3.761 7.955 2.048) 9.034 16.371 ( 4.083 1.921 -1.135) 4.652 16.495 ( -0.218 -1.449 -0.168) 1.475 16.868 ( 0.229 -12.639 -1.391) 12.717 17.433 ( 1.724 0.564 -1.657) 2.457 17.671 ( 5.746 -0.697 -5.076) 7.699 17.892 ( 6.329 -2.907 -2.144) 7.287 17.938 ( 4.037 -11.594 3.782) 12.846 18.117 ( -4.826 -13.991 2.380) 14.991 18.280 ( 0.350 -20.160 4.788) 20.724 18.583 ( -11.555 -2.873 9.460) 15.207 18.894 ( -0.096 -2.106 -10.817) 11.021 19.077 ( 13.939 -1.649 -0.442) 14.043 20.029 ( 0.800 -1.211 4.708) 4.927 20.786 ( -7.118 0.128 -2.892) 7.684 21.048 ( 4.584 0.980 0.429) 4.707 21.299 ( -4.835 -1.237 4.431) 6.674 21.411 ( -5.951 2.622 -5.879) 8.766 21.509 ( -10.049 -4.708 -6.442) 12.831 21.562 ( 0.898 0.428 1.761) 2.022 21.788 ( 6.727 -4.696 1.535) 8.346 22.235 ( -5.331 -3.556 -1.627) 6.612 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 25.122 -15.717 -26.030) 39.442 2.470 ( 20.163 -19.702 5.281) 28.681 2.499 ( -9.844 1.341 33.211) 34.665 3.319 ( 0.444 -0.817 -5.877) 5.950 3.378 ( 2.854 -0.164 -12.192) 12.522 3.502 ( -1.964 -0.478 2.748) 3.411 3.530 ( -6.488 0.282 2.080) 6.819 3.811 ( -18.048 2.005 -7.141) 19.512 3.908 ( -2.120 -17.240 9.776) 19.932 3.961 ( -8.266 -28.653 -0.210) 29.822 4.077 ( 10.457 -27.170 4.104) 29.400 4.261 ( 5.797 -23.003 -1.372) 23.762 4.335 ( -9.836 -16.046 -4.654) 19.388 4.462 ( 6.393 -3.858 3.698) 8.332 4.525 ( 11.301 -6.791 7.489) 15.163 4.777 ( 0.916 17.533 -3.290) 17.862 4.871 ( 4.895 20.362 -2.528) 21.094 4.919 ( 1.655 9.285 -11.694) 15.023 5.039 ( 3.461 -0.104 -0.677) 3.528 5.181 ( 2.473 9.064 -5.320) 10.797 5.384 ( -2.745 -1.210 -2.280) 3.768 5.471 ( -7.867 8.472 6.235) 13.135 5.969 ( -12.259 7.608 -10.168) 17.650 6.145 ( -6.247 -2.618 -0.714) 6.811 6.440 ( -3.653 8.556 2.501) 9.634 6.564 ( -2.863 -0.939 9.665) 10.124 6.656 ( 1.150 1.342 1.357) 2.228 6.708 ( 2.735 6.046 0.868) 6.692 6.821 ( -0.637 22.430 -1.370) 22.481 6.852 ( -3.138 6.765 -1.683) 7.645 6.929 ( -0.334 11.458 -1.844) 11.610 7.217 ( 9.228 -0.195 6.859) 11.499 7.373 ( 1.860 -1.655 -3.847) 4.583 7.579 ( 11.795 -3.065 1.666) 12.300 7.605 ( -3.030 -0.888 -0.466) 3.192 7.692 ( 18.323 -5.079 8.869) 20.981 7.807 ( 7.636 -6.512 2.767) 10.410 8.040 ( 5.687 -2.333 5.168) 8.031 8.234 ( -11.455 -1.508 -1.912) 11.711 8.382 ( -18.378 -6.910 -4.154) 20.069 8.533 ( -12.097 2.983 -3.879) 13.049 8.625 ( -11.691 6.894 -10.626) 17.236 8.888 ( -10.770 -6.696 2.927) 13.015 9.001 ( 3.084 2.748 -1.889) 4.542 9.249 ( -4.744 0.616 -2.585) 5.437 9.455 ( 6.205 -4.519 3.337) 8.370 10.076 ( 11.843 -2.586 -1.716) 12.242 10.388 ( -8.453 -2.984 -1.098) 9.031 10.450 ( -5.134 -3.631 -4.163) 7.541 10.624 ( 2.271 -1.130 1.839) 3.133 12.476 ( 5.091 1.732 -1.723) 5.647 12.595 ( 11.544 10.406 8.578) 17.752 12.908 ( 2.653 0.504 1.647) 3.163 13.363 ( -6.291 6.978 -2.964) 9.851 13.862 ( 11.521 3.103 5.942) 13.330 14.148 ( -8.691 4.015 -3.373) 10.151 14.213 ( -6.636 7.418 -1.459) 10.059 14.319 ( -3.473 0.094 -1.948) 3.983 14.510 ( 2.094 1.013 -2.444) 3.374 14.556 ( 4.642 -1.534 3.273) 5.884 14.678 ( 0.879 1.480 0.356) 1.757 14.756 ( -3.844 11.902 1.735) 12.627 14.938 ( 4.879 18.384 0.521) 19.028 15.388 ( 2.925 1.584 2.738) 4.308 15.445 ( 1.876 -3.167 -5.515) 6.631 15.660 ( 8.174 -0.915 7.114) 10.875 15.779 ( -4.338 -5.678 -0.183) 7.148 15.830 ( -9.503 -2.647 -6.272) 11.690 16.074 ( 3.922 9.502 4.087) 11.062 16.361 ( 1.874 1.588 -0.697) 2.553 16.520 ( -0.658 -1.339 0.491) 1.571 17.124 ( -4.837 -14.446 -0.765) 15.254 17.428 ( 2.425 1.834 -1.815) 3.541 17.720 ( 6.416 1.400 0.851) 6.622 17.962 ( 12.649 0.131 -10.417) 16.387 18.162 ( -8.491 -3.966 13.766) 16.653 18.321 ( 1.262 -16.930 0.044) 16.977 18.527 ( -3.342 -3.344 5.089) 6.946 18.636 ( -3.053 -12.578 4.477) 13.696 18.891 ( -1.023 2.896 -12.382) 12.757 19.145 ( 6.498 3.617 0.678) 7.468 20.097 ( 3.728 -2.872 2.845) 5.499 20.765 ( -3.082 -3.495 2.095) 5.109 21.039 ( -0.807 2.887 -2.873) 4.152 21.264 ( 4.527 5.215 0.155) 6.907 21.305 ( -10.700 -1.478 -2.313) 11.047 21.481 ( -3.674 0.095 -0.322) 3.689 21.574 ( -0.392 -0.642 0.078) 0.756 21.964 ( 7.593 -6.154 1.550) 9.896 22.229 ( -6.428 -1.017 -2.027) 6.816 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 -0.000 -0.000) 0.000 2.128 ( -0.000 0.000 0.000) 0.000 3.193 ( 0.000 -0.000 0.000) 0.000 3.255 ( -0.000 0.000 -0.000) 0.000 3.340 ( -0.000 -0.000 0.000) 0.000 3.390 ( 0.000 0.000 -0.000) 0.000 3.470 ( 0.000 -0.000 -0.000) 0.000 3.524 ( 0.000 -0.000 -0.000) 0.000 4.242 ( 0.000 -0.000 0.000) 0.000 4.249 ( 0.000 0.000 -0.000) 0.000 4.280 ( 0.000 -0.000 0.000) 0.000 4.436 ( -0.000 -0.000 -0.000) 0.000 4.479 ( -0.000 -0.000 -0.000) 0.000 4.534 ( -0.000 0.000 -0.000) 0.000 4.556 ( -0.000 -0.000 -0.000) 0.000 4.684 ( 0.000 -0.000 -0.000) 0.000 4.712 ( -0.000 -0.000 -0.000) 0.000 4.927 ( 0.000 0.000 -0.000) 0.000 5.123 ( 0.000 -0.000 0.000) 0.000 5.198 ( 0.000 -0.000 0.000) 0.000 5.317 ( -0.000 0.000 0.000) 0.000 5.370 ( -0.000 -0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 -0.000 -0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 -0.000 0.000) 0.000 6.602 ( -0.000 -0.000 0.000) 0.000 6.632 ( 0.000 -0.000 -0.000) 0.000 6.703 ( -0.000 -0.000 -0.000) 0.000 6.788 ( 0.000 -0.000 -0.000) 0.000 6.859 ( 0.000 -0.000 -0.000) 0.000 7.291 ( -0.000 -0.000 0.000) 0.000 7.353 ( 0.000 -0.000 -0.000) 0.000 7.560 ( 0.000 -0.000 -0.000) 0.000 7.702 ( -0.000 -0.000 0.000) 0.000 7.873 ( -0.000 -0.000 -0.000) 0.000 7.899 ( 0.000 -0.000 0.000) 0.000 8.154 ( 0.000 -0.000 -0.000) 0.000 8.180 ( 0.000 -0.000 0.000) 0.000 8.400 ( 0.000 -0.000 0.000) 0.000 8.403 ( 0.000 -0.000 -0.000) 0.000 8.447 ( 0.000 -0.000 0.000) 0.000 8.912 ( 0.000 0.000 -0.000) 0.000 8.977 ( -0.000 -0.000 0.000) 0.000 9.218 ( 0.000 -0.000 0.000) 0.000 9.525 ( -0.000 -0.000 -0.000) 0.000 10.178 ( -0.000 -0.000 0.000) 0.000 10.328 ( -0.000 -0.000 -0.000) 0.000 10.492 ( 0.000 -0.000 0.000) 0.000 10.645 ( 0.000 -0.000 0.000) 0.000 12.476 ( 0.000 -0.000 0.000) 0.000 12.553 ( 0.000 -0.000 0.000) 0.000 12.913 ( 0.000 -0.000 0.000) 0.000 13.268 ( 0.000 -0.000 0.000) 0.000 13.949 ( -0.000 0.000 -0.000) 0.000 13.959 ( 0.000 -0.000 0.000) 0.000 14.150 ( 0.000 -0.000 -0.000) 0.000 14.303 ( 0.000 -0.000 0.000) 0.000 14.537 ( 0.000 -0.000 0.000) 0.000 14.587 ( -0.000 -0.000 0.000) 0.000 14.627 ( 0.000 -0.000 -0.000) 0.000 14.634 ( -0.000 0.000 0.000) 0.000 14.798 ( 0.000 0.000 -0.000) 0.000 15.381 ( 0.000 -0.000 0.000) 0.000 15.482 ( 0.000 -0.000 0.000) 0.000 15.713 ( -0.000 -0.000 -0.000) 0.000 15.779 ( 0.000 -0.000 0.000) 0.000 15.922 ( 0.000 0.000 0.000) 0.000 15.926 ( -0.000 -0.000 -0.000) 0.000 16.353 ( 0.000 -0.000 0.000) 0.000 16.530 ( 0.000 -0.000 -0.000) 0.000 17.250 ( 0.000 -0.000 0.000) 0.000 17.414 ( -0.000 -0.000 0.000) 0.000 17.733 ( 0.000 -0.000 0.000) 0.000 18.071 ( 0.000 -0.000 -0.000) 0.000 18.099 ( -0.000 -0.000 0.000) 0.000 18.496 ( 0.000 -0.000 -0.000) 0.000 18.658 ( 0.000 0.000 -0.000) 0.000 18.703 ( 0.000 -0.000 0.000) 0.000 18.798 ( 0.000 -0.000 -0.000) 0.000 19.125 ( 0.000 -0.000 0.000) 0.000 20.148 ( 0.000 -0.000 0.000) 0.000 20.836 ( 0.000 -0.000 0.000) 0.000 20.950 ( -0.000 -0.000 -0.000) 0.000 21.233 ( -0.000 -0.000 -0.000) 0.000 21.277 ( 0.000 -0.000 0.000) 0.000 21.461 ( -0.000 -0.000 -0.000) 0.000 21.577 ( 0.000 -0.000 0.000) 0.000 22.090 ( 0.000 -0.000 0.000) 0.000 22.179 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 34.272 0.000 9.247) 35.498 0.700 ( 40.810 0.000 -23.614) 47.149 1.314 ( 74.871 0.000 11.145) 75.696 2.522 ( -7.966 -0.000 -6.778) 10.459 2.843 ( 7.176 0.000 5.329) 8.938 2.909 ( -16.727 -0.000 35.147) 38.924 3.188 ( -9.952 -0.000 -11.465) 15.182 3.284 ( 12.263 0.000 -0.668) 12.282 3.392 ( 0.381 0.000 10.795) 10.802 3.408 ( 12.842 0.000 -35.989) 38.211 3.601 ( -9.389 -0.000 6.192) 11.247 3.719 ( -10.394 -0.000 10.226) 14.581 4.423 ( 10.227 0.000 8.209) 13.114 4.443 ( 3.896 0.000 8.399) 9.259 4.875 ( -33.654 -0.000 -25.788) 42.398 4.939 ( 10.310 0.000 -3.148) 10.780 5.058 ( -24.929 -0.000 -17.750) 30.602 5.457 ( -20.996 -0.000 0.816) 21.011 5.537 ( -2.889 -0.000 7.053) 7.621 5.784 ( -5.876 -0.000 -0.956) 5.953 5.894 ( 10.390 0.000 -10.889) 15.051 5.962 ( -13.261 -0.000 -6.401) 14.725 6.168 ( 7.943 0.000 7.979) 11.258 6.334 ( 5.622 0.000 3.733) 6.749 6.681 ( 40.195 0.000 20.357) 45.056 6.688 ( -1.149 -0.000 -0.337) 1.197 6.729 ( 0.190 0.000 3.208) 3.214 6.874 ( 6.830 0.000 -56.070) 56.484 6.914 ( 8.756 0.000 5.229) 10.198 6.991 ( 2.305 0.000 -1.764) 2.902 7.048 ( 14.490 0.000 2.238) 14.662 7.145 ( 1.133 0.000 5.878) 5.986 7.152 ( -0.117 -0.000 -0.509) 0.522 7.244 ( 16.084 0.000 -18.815) 24.753 7.273 ( -2.495 -0.000 -1.266) 2.798 7.408 ( -1.116 -0.000 1.475) 1.850 7.768 ( -1.516 -0.000 2.354) 2.800 7.818 ( -34.843 -0.000 -11.539) 36.704 8.226 ( -15.488 -0.000 -7.003) 16.997 8.384 ( -6.286 -0.000 -1.132) 6.388 8.399 ( -8.787 -0.000 -3.435) 9.434 8.636 ( -17.331 -0.000 3.676) 17.716 8.784 ( 7.974 0.000 3.083) 8.549 8.823 ( -12.747 -0.000 -4.902) 13.658 8.997 ( 21.827 0.000 5.207) 22.440 9.193 ( -16.294 -0.000 -13.483) 21.150 9.818 ( 17.786 0.000 11.091) 20.961 9.920 ( 15.591 0.000 -3.449) 15.968 10.533 ( 4.140 0.000 3.272) 5.277 10.576 ( -3.082 -0.000 -1.437) 3.400 12.429 ( -2.007 -0.000 -4.136) 4.597 12.833 ( 6.061 0.000 0.022) 6.061 13.639 ( 0.307 0.000 -0.043) 0.310 13.791 ( 0.498 0.000 1.810) 1.877 13.805 ( 9.886 0.000 4.311) 10.785 14.291 ( -4.416 -0.000 1.119) 4.556 14.389 ( -5.913 -0.000 1.374) 6.070 14.479 ( -9.870 -0.000 3.007) 10.318 14.696 ( 2.915 0.000 -7.367) 7.922 14.716 ( -22.932 -0.000 -15.959) 27.939 14.863 ( 7.437 0.000 -1.088) 7.516 15.321 ( -6.573 -0.000 5.536) 8.594 15.408 ( -4.945 -0.000 -0.904) 5.027 15.525 ( 20.203 0.000 15.605) 25.528 15.769 ( 10.597 0.000 -1.272) 10.673 15.938 ( -4.157 -0.000 99.572) 99.659 15.958 ( -13.644 -0.000 -2.569) 13.884 16.373 ( 0.030 0.000 5.715) 5.715 16.414 ( 4.678 0.000 -2.207) 5.172 16.841 ( -2.414 -0.000 0.501) 2.466 16.915 ( -1.875 -0.000 0.367) 1.910 17.191 ( 0.606 0.000 0.157) 0.626 17.244 ( -0.930 -0.000 -0.277) 0.971 17.257 ( -5.921 -0.000 41.062) 41.487 17.524 ( 7.701 0.000 -12.641) 14.802 17.590 ( -0.519 -0.000 -0.065) 0.523 17.881 ( 1.057 0.000 0.178) 1.071 18.006 ( 8.789 0.000 0.364) 8.797 18.527 ( -11.767 -0.000 14.570) 18.729 18.774 ( -0.198 -0.000 -14.340) 14.341 19.008 ( 15.657 0.000 -4.337) 16.247 20.013 ( -2.831 -0.000 4.907) 5.665 20.428 ( 0.651 0.000 -66.993) 66.996 20.814 ( -6.244 -0.000 -7.658) 9.881 21.054 ( 1.099 0.000 2.436) 2.673 21.276 ( -0.782 -0.000 7.915) 7.953 21.440 ( 2.630 0.000 -2.294) 3.490 21.602 ( -1.164 -0.000 0.234) 1.188 21.728 ( 3.186 0.000 2.695) 4.173 22.174 ( -1.801 -0.000 -1.864) 2.592 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 31.709 -13.217 -9.711) 35.700 1.402 ( 30.481 -30.166 -12.466) 44.660 2.289 ( 59.084 -35.621 14.062) 70.409 2.742 ( -16.684 3.175 33.061) 37.169 2.761 ( -2.898 -28.950 -4.201) 29.396 3.022 ( 0.372 -12.098 1.239) 12.167 3.164 ( -8.059 -8.067 -6.085) 12.925 3.403 ( -1.507 -1.515 6.950) 7.271 3.477 ( 10.662 -0.437 -28.233) 30.183 3.531 ( 1.605 -8.116 4.769) 9.549 3.542 ( 1.885 -5.995 -3.532) 7.209 3.625 ( -8.811 0.969 12.121) 15.016 4.422 ( -2.144 -0.663 0.034) 2.245 4.536 ( 3.936 3.600 5.857) 7.922 4.562 ( -38.250 -0.447 -23.395) 44.839 4.707 ( -15.755 2.817 -2.696) 16.230 5.040 ( -1.434 -0.395 -0.403) 1.541 5.391 ( 11.878 4.341 -5.101) 13.637 5.458 ( 1.398 7.706 1.564) 7.986 5.601 ( -4.908 12.230 -0.919) 13.210 5.745 ( -15.940 7.538 -4.486) 18.194 6.042 ( 11.334 0.651 -7.489) 13.600 6.114 ( 7.310 12.995 4.490) 15.571 6.301 ( 4.599 9.186 4.229) 11.110 6.605 ( -0.567 1.605 -1.987) 2.616 6.682 ( 2.615 7.009 3.208) 8.139 6.790 ( 2.933 6.368 -0.546) 7.032 6.944 ( 4.168 4.902 8.779) 10.884 7.031 ( -2.787 1.834 2.264) 4.032 7.049 ( 0.433 2.640 -0.483) 2.718 7.150 ( 10.061 -3.089 6.507) 12.374 7.270 ( 16.536 -9.037 4.797) 19.445 7.319 ( 6.708 -5.573 4.562) 9.842 7.354 ( 4.737 -3.907 1.423) 6.303 7.409 ( -1.119 -7.641 -4.304) 8.841 7.546 ( -16.870 -10.883 -12.785) 23.801 7.659 ( -15.444 -9.456 -6.759) 19.329 7.837 ( -7.632 -11.483 -6.659) 15.312 8.071 ( -7.562 3.440 -3.145) 8.883 8.246 ( -11.771 -1.675 3.338) 12.349 8.469 ( -24.590 -7.543 -5.549) 26.313 8.482 ( -20.358 -6.676 -7.010) 22.542 8.735 ( -10.265 -1.915 -2.115) 10.654 8.974 ( 0.542 -8.504 -3.055) 9.053 9.111 ( -3.893 -4.390 -5.605) 8.114 9.193 ( 10.781 -5.214 -0.954) 12.013 9.977 ( 15.052 -1.309 7.478) 16.858 10.073 ( 14.397 -2.222 -2.050) 14.711 10.523 ( -4.780 1.903 -1.892) 5.481 10.578 ( 3.484 -0.936 3.430) 4.978 12.430 ( -0.186 -1.245 -1.382) 1.869 12.882 ( 5.475 0.259 -0.122) 5.483 13.457 ( 12.260 19.485 7.879) 24.332 13.709 ( -6.377 8.280 -3.996) 11.189 13.915 ( 12.091 0.015 4.772) 12.999 14.237 ( -7.047 2.513 0.676) 7.512 14.282 ( -10.968 -0.478 3.190) 11.432 14.428 ( -5.217 -1.843 -0.783) 5.588 14.519 ( -10.494 1.276 -8.295) 13.437 14.785 ( 3.633 0.631 -8.541) 9.303 14.930 ( 3.542 -2.969 -2.801) 5.404 15.253 ( -6.006 3.973 2.537) 7.634 15.386 ( -6.180 -2.941 -1.271) 6.961 15.512 ( 16.311 36.815 53.083) 66.627 15.662 ( 7.984 12.402 4.451) 15.406 15.697 ( 15.670 5.328 11.657) 20.244 15.831 ( -14.546 0.990 -4.201) 15.173 16.226 ( -0.242 24.401 1.469) 24.446 16.409 ( 2.434 18.173 1.599) 18.405 16.437 ( 3.190 2.090 -2.854) 4.764 16.586 ( 5.251 11.829 -5.686) 14.136 16.843 ( 6.642 9.460 -1.915) 11.717 17.468 ( 3.579 -0.171 -7.917) 8.690 17.580 ( -1.313 -16.876 -0.349) 16.931 17.641 ( 2.557 -14.871 -1.835) 15.200 17.793 ( 1.982 -17.124 -3.520) 17.594 17.871 ( 1.858 -11.158 -0.527) 11.324 18.080 ( 11.739 2.003 5.611) 13.165 18.453 ( -10.409 -1.754 15.856) 19.048 18.837 ( -1.306 -3.504 -5.474) 6.630 19.172 ( 15.811 -2.158 -4.368) 16.544 20.001 ( -2.691 -1.256 8.122) 8.648 20.713 ( -9.462 -2.973 -7.198) 12.255 20.956 ( -16.861 -25.192 -25.129) 39.375 21.069 ( -5.534 -4.685 0.214) 7.254 21.276 ( 0.251 0.652 5.996) 6.037 21.457 ( 0.665 0.685 -0.152) 0.967 21.599 ( 2.220 0.214 2.048) 3.028 21.766 ( 3.391 -1.814 2.182) 4.422 22.153 ( -3.144 -0.553 -2.182) 3.866 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 29.085 -14.240 -19.038) 37.565 2.208 ( 28.012 -29.563 -5.258) 41.064 2.501 ( -17.307 7.670 30.363) 35.781 3.126 ( -11.979 -8.787 2.847) 15.126 3.365 ( 1.898 -27.720 0.840) 27.797 3.418 ( -1.196 -3.713 -0.753) 3.973 3.425 ( 6.341 -24.275 -0.813) 25.103 3.499 ( 19.086 -20.585 11.441) 30.313 3.526 ( 7.125 -1.671 -20.675) 21.932 3.574 ( -9.070 -8.060 14.799) 19.137 3.614 ( 6.096 -20.079 -3.202) 21.227 3.956 ( 15.163 -18.240 -1.684) 23.780 4.090 ( -33.102 7.411 -11.401) 35.786 4.437 ( -10.137 -8.627 -7.391) 15.226 4.487 ( -18.883 -10.542 -15.583) 26.656 4.765 ( 25.546 4.583 20.096) 32.824 5.016 ( -7.762 -1.204 6.730) 10.344 5.162 ( 2.303 18.501 -1.561) 18.710 5.318 ( 3.841 18.622 -0.978) 19.040 5.409 ( -11.348 6.043 -5.237) 13.883 5.499 ( 16.276 13.000 -8.528) 22.509 5.799 ( 2.626 22.331 4.257) 22.884 6.075 ( 7.083 4.550 -3.062) 8.958 6.179 ( 2.620 7.205 -0.978) 7.729 6.526 ( -4.226 4.365 6.776) 9.101 6.595 ( 0.794 4.393 -0.819) 4.539 6.692 ( -0.533 3.731 0.167) 3.772 6.834 ( -2.112 6.417 5.545) 8.739 6.914 ( -2.143 5.214 -3.656) 6.719 6.979 ( -2.862 5.053 0.604) 5.839 7.243 ( 2.109 1.907 3.979) 4.891 7.288 ( -7.631 3.430 -3.067) 8.911 7.374 ( -1.245 6.585 -3.737) 7.673 7.486 ( -8.954 -5.060 3.468) 10.854 7.577 ( -4.362 -5.851 0.085) 7.298 7.600 ( -2.197 -10.998 -2.620) 11.517 7.763 ( 14.257 -6.772 8.584) 17.967 7.941 ( -4.241 -4.253 -7.509) 9.615 8.079 ( 6.082 -5.840 7.532) 11.306 8.236 ( -10.231 -5.550 -2.295) 11.863 8.330 ( -20.107 -3.242 3.568) 20.677 8.478 ( -20.409 -9.224 -16.237) 27.663 8.722 ( -2.304 -2.809 2.373) 4.340 8.986 ( -13.946 -5.825 -11.110) 18.758 9.239 ( 15.783 2.966 2.336) 16.228 9.402 ( 2.079 -9.909 -0.528) 10.139 10.132 ( 11.883 -2.047 2.047) 12.231 10.248 ( 9.244 -5.534 0.871) 10.809 10.427 ( -6.192 2.776 -1.991) 7.072 10.621 ( 1.356 -1.024 2.382) 2.926 12.467 ( 1.938 -1.706 0.481) 2.626 12.912 ( 3.521 0.886 -0.840) 3.727 13.131 ( 7.517 25.372 4.209) 26.795 13.457 ( -5.924 8.949 -2.547) 11.030 14.012 ( 10.821 1.049 4.747) 11.863 14.152 ( -1.967 1.423 0.796) 2.555 14.247 ( -7.071 -2.331 3.237) 8.118 14.361 ( -5.589 9.719 -5.169) 12.346 14.427 ( -5.314 -2.860 1.839) 6.309 14.734 ( 7.665 8.370 0.204) 11.351 14.875 ( 9.732 15.197 0.229) 18.047 15.001 ( -2.987 14.494 0.265) 14.801 15.318 ( 2.161 -0.516 5.090) 5.554 15.337 ( -2.477 9.225 1.950) 9.748 15.472 ( -0.260 4.251 -2.900) 5.152 15.661 ( -15.374 2.080 -5.726) 16.536 15.716 ( 2.192 9.395 3.213) 10.168 15.834 ( 11.457 4.732 8.257) 14.894 16.246 ( -0.306 6.965 7.037) 9.906 16.414 ( 0.909 2.603 -3.031) 4.097 16.546 ( 6.531 1.262 -4.039) 7.782 16.864 ( -0.661 -6.851 -0.813) 6.931 17.483 ( 4.529 1.230 -7.184) 8.581 17.798 ( 8.049 -2.917 -6.659) 10.846 17.931 ( 0.770 -17.381 2.208) 17.538 18.013 ( -4.846 -7.301 2.691) 9.167 18.120 ( 10.618 0.238 0.846) 10.655 18.264 ( -2.436 -21.727 6.938) 22.937 18.429 ( -7.010 -3.449 13.896) 15.942 18.884 ( 0.227 -1.947 -10.305) 10.490 19.297 ( 10.773 3.042 -3.968) 11.876 20.057 ( 2.029 -5.070 9.627) 11.068 20.677 ( -5.099 -2.039 -2.349) 5.972 21.043 ( -3.423 -0.532 -0.158) 3.468 21.177 ( -14.195 -9.664 -16.021) 23.486 21.257 ( -6.319 -2.725 1.095) 6.969 21.429 ( 3.755 3.443 2.556) 5.700 21.622 ( 3.790 0.825 3.727) 5.379 21.883 ( 3.632 -7.028 1.217) 8.004 22.140 ( -5.108 -1.735 -2.186) 5.821 ======================= Grid point 13 (9/129) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 24.166 -11.524 -23.270) 35.473 2.180 ( -15.724 10.970 25.144) 31.620 2.977 ( 23.946 -27.777 -0.974) 36.686 3.157 ( -14.423 -6.948 17.471) 23.697 3.366 ( -26.182 16.775 -9.262) 32.445 3.442 ( 2.093 -0.816 -8.783) 9.066 3.487 ( 1.726 0.854 7.394) 7.641 3.556 ( 4.801 0.551 -17.784) 18.428 3.810 ( -9.086 -23.973 0.718) 25.647 3.824 ( -7.872 -22.169 5.036) 24.058 3.953 ( -15.976 -13.112 -10.103) 23.005 4.409 ( 9.827 -17.536 1.314) 20.145 4.487 ( 3.650 -3.034 -3.302) 5.782 4.573 ( 31.361 -20.643 7.722) 38.331 4.790 ( 1.059 5.754 -1.380) 6.011 4.844 ( 2.243 0.078 -1.230) 2.560 4.931 ( 15.965 -7.792 9.632) 20.208 5.014 ( -8.858 -1.702 7.233) 11.562 5.020 ( 9.097 11.454 -0.671) 14.642 5.176 ( 0.212 3.223 -4.112) 5.229 5.367 ( -2.732 15.390 1.885) 15.743 5.401 ( 0.290 7.901 1.611) 8.069 5.860 ( -1.370 24.524 -4.569) 24.984 6.179 ( 8.555 -2.616 -2.026) 9.172 6.410 ( 0.616 7.345 1.781) 7.583 6.517 ( -2.277 0.726 8.533) 8.862 6.655 ( -1.175 3.821 -0.167) 4.001 6.720 ( -2.811 3.331 0.829) 4.437 6.781 ( -2.038 13.968 -5.628) 15.197 6.820 ( -0.304 6.339 -3.956) 7.478 6.930 ( 0.944 10.481 0.065) 10.524 7.217 ( -10.473 -0.042 -5.507) 11.832 7.365 ( -14.524 -3.146 2.975) 15.156 7.461 ( -3.442 -5.235 1.485) 6.439 7.612 ( -1.840 -1.362 3.289) 4.007 7.782 ( -5.418 -5.188 -2.824) 8.015 7.905 ( 2.956 -1.609 -1.336) 3.621 8.005 ( -10.281 -5.841 -7.008) 13.745 8.126 ( -9.195 -3.241 -0.821) 9.784 8.279 ( -8.572 -7.115 4.415) 11.983 8.337 ( 3.420 -3.627 1.442) 5.189 8.551 ( 7.128 -7.700 0.285) 10.497 8.799 ( 7.640 -2.568 5.288) 9.640 9.000 ( -11.441 -7.786 -8.763) 16.380 9.266 ( 15.901 8.170 1.146) 17.913 9.537 ( 0.520 -3.158 -0.109) 3.203 10.190 ( -3.164 2.822 0.124) 4.241 10.348 ( 4.391 -0.221 -0.908) 4.489 10.452 ( 6.055 -6.231 2.486) 9.037 10.634 ( -1.457 -0.348 0.531) 1.590 12.516 ( 3.490 -0.260 1.479) 3.799 12.705 ( -3.458 19.201 -1.903) 19.602 12.915 ( -1.137 0.531 -2.317) 2.636 13.310 ( 0.794 4.449 1.065) 4.643 13.988 ( -6.230 8.951 -5.341) 12.143 14.120 ( 9.298 4.580 7.133) 12.582 14.158 ( 5.371 2.211 2.124) 6.184 14.273 ( -1.755 -2.497 2.311) 3.829 14.457 ( -4.582 -4.847 3.000) 7.313 14.649 ( 4.389 6.367 3.437) 8.463 14.699 ( 0.446 11.252 -3.503) 11.793 14.721 ( -0.404 9.216 -0.652) 9.248 15.017 ( 2.331 15.081 -3.495) 15.655 15.385 ( -2.759 1.086 -1.761) 3.448 15.441 ( -2.676 -2.090 -2.059) 3.971 15.591 ( -7.313 -6.377 -6.124) 11.474 15.708 ( -5.499 -5.931 -0.210) 8.091 15.885 ( 10.870 2.419 7.566) 13.463 16.109 ( -1.043 7.361 9.060) 11.720 16.368 ( -0.899 1.944 -2.527) 3.313 16.582 ( 7.509 1.847 -4.691) 9.045 17.027 ( -5.674 -12.248 0.854) 13.526 17.497 ( 5.713 1.787 -8.301) 10.234 17.864 ( 9.438 4.937 1.953) 10.829 17.985 ( -11.932 -0.785 13.238) 17.839 18.163 ( 10.080 -0.338 -12.436) 16.012 18.351 ( 0.727 -19.886 2.792) 20.094 18.439 ( -4.877 -3.923 9.468) 11.350 18.616 ( -1.219 -14.365 5.367) 15.384 18.874 ( 0.380 3.892 -10.999) 11.674 19.235 ( 3.719 8.333 -1.613) 9.267 20.162 ( 2.951 -1.060 3.140) 4.438 20.749 ( 1.271 -7.541 4.495) 8.871 20.982 ( -3.888 3.002 -1.314) 5.085 21.143 ( -7.115 -0.442 -2.653) 7.606 21.299 ( -9.835 -7.849 -9.362) 15.684 21.413 ( 7.136 3.340 3.117) 8.473 21.639 ( 4.962 1.375 3.390) 6.165 22.027 ( -3.348 -4.608 -0.622) 5.730 22.141 ( -0.478 -3.382 -0.200) 3.422 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -17.250 16.194 21.228) 31.787 2.491 ( 22.626 -9.738 -27.064) 36.596 2.724 ( -23.350 24.582 -11.204) 35.707 3.149 ( -15.618 -5.952 27.452) 32.139 3.440 ( 2.981 1.189 -4.081) 5.192 3.552 ( 7.714 -0.462 -9.654) 12.366 3.584 ( 7.181 -1.205 -0.726) 7.317 3.706 ( 20.321 -22.814 2.605) 30.663 3.986 ( -12.654 -8.378 -7.352) 16.864 4.046 ( -14.357 -6.466 -7.526) 17.452 4.237 ( -8.756 -25.461 3.882) 27.203 4.486 ( 1.946 2.400 -0.283) 3.103 4.585 ( 4.297 6.373 -0.376) 7.695 4.619 ( 7.702 20.955 0.462) 22.331 4.696 ( 2.315 10.417 0.093) 10.671 4.730 ( 4.553 10.517 0.306) 11.464 4.830 ( 13.249 12.241 13.788) 22.704 4.929 ( 0.097 -0.470 -0.640) 0.800 4.966 ( -13.871 -1.294 6.208) 15.252 5.146 ( -3.160 39.009 -1.137) 39.153 5.319 ( -3.564 -2.284 -1.619) 4.533 5.480 ( 19.398 -13.187 2.698) 23.610 5.935 ( 3.195 -38.339 1.710) 38.510 6.281 ( 8.510 1.996 -0.564) 8.759 6.317 ( 11.283 5.155 4.538) 13.208 6.420 ( 5.723 0.664 2.686) 6.357 6.572 ( -2.206 -2.532 4.371) 5.512 6.653 ( -4.293 -0.097 -6.000) 7.378 6.660 ( -0.176 3.580 -6.406) 7.341 6.802 ( 1.350 -1.995 -1.199) 2.691 6.877 ( 2.427 0.306 2.924) 3.813 7.117 ( -15.278 -1.027 -4.898) 16.077 7.227 ( -22.753 -2.733 -2.595) 23.063 7.572 ( -7.249 3.574 2.002) 8.326 7.586 ( -0.722 -1.388 -0.755) 1.737 7.672 ( -1.969 2.325 -4.926) 5.792 7.828 ( -9.474 3.798 -2.205) 10.443 7.990 ( -5.872 -1.274 -5.417) 8.090 8.202 ( -0.493 -6.980 -2.699) 7.500 8.388 ( -7.768 -9.899 1.506) 12.673 8.502 ( 9.392 -9.782 9.148) 16.358 8.754 ( 20.072 1.289 5.661) 20.894 8.947 ( 9.138 -4.482 5.070) 11.371 9.054 ( -7.942 -6.851 -6.818) 12.510 9.231 ( 14.666 9.627 -0.446) 17.549 9.530 ( -2.660 2.946 -1.464) 4.230 10.039 ( -11.203 4.462 0.530) 12.071 10.423 ( 5.341 -1.745 0.028) 5.619 10.577 ( 3.762 0.338 3.420) 5.096 10.633 ( 4.124 -1.238 0.799) 4.379 12.346 ( -13.068 7.988 -5.207) 16.177 12.576 ( 4.360 0.742 1.928) 4.824 12.881 ( -4.057 0.599 -3.459) 5.364 13.315 ( 4.126 -2.764 2.229) 5.443 13.775 ( -7.162 4.336 -4.131) 9.336 14.168 ( 2.224 -2.933 -2.428) 4.409 14.227 ( 16.405 1.212 8.699) 18.608 14.319 ( 1.082 -2.267 3.205) 4.072 14.474 ( -5.800 1.419 5.238) 7.943 14.566 ( -1.024 -1.430 -0.031) 1.759 14.596 ( -2.161 0.635 0.595) 2.330 14.651 ( 0.673 -1.873 -1.933) 2.774 14.840 ( 1.457 5.835 -7.152) 9.344 15.341 ( -4.911 0.305 -2.977) 5.751 15.426 ( -2.501 -0.549 -2.458) 3.550 15.632 ( -3.429 -0.282 -0.383) 3.462 15.807 ( -4.364 -9.056 -2.310) 10.315 15.921 ( 3.305 3.166 3.033) 5.491 15.991 ( 4.919 4.069 8.434) 10.577 16.330 ( -2.435 0.404 -1.524) 2.901 16.594 ( 6.056 3.141 -4.090) 7.954 17.181 ( -5.184 -8.424 1.855) 10.063 17.499 ( 7.909 4.743 -9.383) 13.156 17.767 ( 2.033 9.939 5.857) 11.714 17.871 ( -11.625 1.197 11.861) 16.652 18.250 ( 6.114 -0.933 -15.765) 16.935 18.456 ( -1.977 0.095 7.538) 7.793 18.663 ( 0.621 -5.596 -0.610) 5.664 18.726 ( 0.135 6.675 -1.440) 6.830 18.792 ( 0.262 -6.111 2.322) 6.542 19.128 ( 0.356 4.418 -1.269) 4.610 20.134 ( -1.282 3.894 -0.009) 4.100 20.832 ( 0.061 1.518 -2.653) 3.057 20.989 ( 2.455 -3.566 4.611) 6.325 21.123 ( -3.620 -4.776 3.126) 6.759 21.358 ( -7.794 -6.959 -9.582) 14.177 21.437 ( 9.533 1.759 2.947) 10.132 21.656 ( 5.997 2.173 2.139) 6.727 21.966 ( -9.832 2.346 -1.652) 10.242 22.252 ( 4.062 -3.797 1.399) 5.733 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -13.627 20.062 14.680) 28.349 2.041 ( -14.600 30.194 -6.491) 34.161 2.820 ( 19.192 -7.101 -31.261) 37.364 3.128 ( -16.030 -5.441 31.605) 35.853 3.419 ( 1.704 2.811 -3.336) 4.683 3.543 ( 1.971 4.202 -2.510) 5.277 3.710 ( 12.021 0.276 2.464) 12.274 3.878 ( -5.056 8.475 -9.117) 13.435 3.968 ( 2.225 27.239 2.101) 27.410 3.991 ( 1.805 20.154 0.724) 20.247 4.063 ( -0.827 22.098 -3.221) 22.347 4.153 ( -8.375 33.507 -3.786) 34.745 4.199 ( -2.002 27.204 -0.108) 27.278 4.465 ( 1.612 -1.355 -1.581) 2.633 4.628 ( 6.383 -13.427 -0.565) 14.878 4.726 ( -6.699 -4.294 8.276) 11.481 4.770 ( -2.882 -18.594 3.762) 19.188 4.882 ( 0.091 -14.215 2.061) 14.364 5.015 ( -4.105 -13.487 -0.326) 14.101 5.105 ( -0.726 -9.741 2.247) 10.023 5.431 ( 0.629 -8.950 0.436) 8.982 5.814 ( 28.023 -2.917 5.899) 28.785 6.268 ( 17.097 4.921 13.590) 22.388 6.337 ( 13.344 1.068 2.745) 13.665 6.466 ( -5.061 -5.775 -7.869) 10.995 6.540 ( -5.676 4.126 -11.332) 13.329 6.584 ( -8.163 -3.119 -1.503) 8.867 6.644 ( -2.854 -0.846 -1.616) 3.387 6.787 ( -7.608 -20.457 -0.993) 21.849 6.892 ( 1.446 -11.043 -1.253) 11.208 6.939 ( -0.786 -4.711 3.789) 6.096 7.002 ( -11.476 -4.795 0.774) 12.461 7.142 ( -4.610 -0.849 -2.607) 5.364 7.310 ( -15.783 1.805 -7.931) 17.755 7.557 ( 2.077 4.968 1.025) 5.482 7.596 ( -4.756 6.443 0.674) 8.036 7.780 ( 0.980 -0.041 -3.301) 3.444 8.062 ( 10.550 -5.987 3.382) 12.593 8.301 ( -6.394 -6.429 -3.447) 9.700 8.475 ( -5.575 -5.461 0.013) 7.804 8.791 ( 18.848 -1.901 10.034) 21.436 8.889 ( 16.372 -3.188 6.797) 18.011 9.045 ( 4.079 3.469 3.713) 6.515 9.111 ( -12.700 -10.296 -10.159) 19.248 9.161 ( 9.558 9.397 -1.614) 13.501 9.381 ( -4.543 8.960 -1.746) 10.197 9.868 ( -9.531 3.555 1.160) 10.238 10.491 ( 1.878 -2.259 0.425) 2.968 10.548 ( -1.649 1.449 -0.161) 2.201 10.751 ( 19.145 0.565 7.713) 20.648 12.142 ( -20.477 -1.291 -7.668) 21.903 12.594 ( 4.100 1.392 0.636) 4.376 12.824 ( -5.041 0.794 -2.539) 5.700 13.477 ( 4.889 -9.705 2.383) 11.125 13.715 ( -4.956 -3.048 -2.538) 6.348 14.252 ( 4.316 -2.684 -3.471) 6.154 14.346 ( 1.312 1.649 0.712) 2.224 14.378 ( 3.458 -2.705 2.625) 5.115 14.433 ( -2.978 -2.214 5.749) 6.843 14.517 ( 2.536 -2.583 5.094) 6.249 14.638 ( -4.471 -2.199 -6.065) 7.850 14.845 ( 4.601 -9.378 -1.878) 10.614 14.878 ( -1.667 -17.845 -1.182) 17.961 15.274 ( -6.599 1.596 -1.521) 6.958 15.432 ( -0.204 -1.950 0.894) 2.155 15.548 ( -3.185 5.429 -2.040) 6.617 15.818 ( 0.615 6.478 1.005) 6.585 15.943 ( 0.429 -6.471 0.805) 6.535 16.061 ( 3.929 -3.910 1.655) 5.785 16.309 ( -3.182 -0.858 -0.497) 3.332 16.565 ( 2.707 3.885 -1.998) 5.139 17.171 ( 0.572 11.505 1.812) 11.661 17.427 ( 1.715 3.862 -3.407) 5.428 17.651 ( -1.580 1.388 1.346) 2.497 17.780 ( -7.427 -0.993 5.029) 9.025 18.207 ( -0.539 10.526 -4.868) 11.610 18.376 ( 5.885 8.604 -2.351) 10.686 18.506 ( -3.832 9.112 1.361) 9.978 18.745 ( 7.940 2.258 -5.864) 10.126 18.888 ( -3.767 -2.480 10.037) 11.003 19.044 ( -3.207 4.281 -2.479) 5.896 20.046 ( -1.650 2.755 -1.020) 3.370 20.839 ( 4.877 -0.715 -0.504) 4.955 20.981 ( -5.565 0.384 -0.026) 5.578 21.270 ( 3.059 -7.011 4.243) 8.747 21.412 ( -2.794 -3.705 -4.141) 6.219 21.512 ( 7.509 -1.431 0.458) 7.657 21.656 ( 4.879 3.163 1.135) 5.924 21.809 ( -9.046 4.742 -0.511) 10.226 22.316 ( 2.907 0.289 0.944) 3.070 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 22.513 0.000) 22.513 1.365 ( 0.000 34.640 0.000) 34.640 2.806 ( 0.000 70.239 0.000) 70.239 3.042 ( -0.000 -4.291 -0.000) 4.291 3.122 ( -0.000 -4.477 -0.000) 4.477 3.363 ( 0.000 31.527 0.000) 31.527 3.376 ( 0.000 3.774 0.000) 3.774 3.407 ( 0.000 16.979 0.000) 16.979 3.547 ( 0.000 20.750 0.000) 20.750 3.671 ( 0.000 21.660 0.000) 21.660 3.753 ( 0.000 6.147 0.000) 6.147 3.818 ( 0.000 0.521 0.000) 0.521 4.136 ( -0.000 -5.811 -0.000) 5.811 4.503 ( -0.000 -0.554 -0.000) 0.554 4.678 ( 0.000 0.648 0.000) 0.648 5.081 ( -0.000 -19.465 -0.000) 19.465 5.101 ( -0.000 -17.836 -0.000) 17.836 5.165 ( -0.000 -5.458 -0.000) 5.458 5.262 ( -0.000 -22.746 -0.000) 22.746 5.448 ( -0.000 -25.619 -0.000) 25.619 5.587 ( -0.000 -6.335 -0.000) 6.335 6.063 ( -0.000 -4.856 -0.000) 4.856 6.258 ( 0.000 8.318 0.000) 8.318 6.274 ( 0.000 5.894 0.000) 5.894 6.442 ( -0.000 -0.102 -0.000) 0.102 6.486 ( 0.000 0.838 0.000) 0.838 6.562 ( -0.000 -3.050 -0.000) 3.050 6.623 ( 0.000 0.764 0.000) 0.764 6.837 ( -0.000 -0.720 -0.000) 0.720 6.999 ( -0.000 -2.752 -0.000) 2.752 7.040 ( 0.000 0.066 0.000) 0.066 7.057 ( -0.000 -5.044 -0.000) 5.044 7.142 ( -0.000 -0.839 -0.000) 0.839 7.445 ( 0.000 7.070 0.000) 7.070 7.465 ( 0.000 0.647 0.000) 0.647 7.561 ( -0.000 -19.528 -0.000) 19.528 7.780 ( 0.000 0.140 0.000) 0.140 8.279 ( -0.000 -6.167 -0.000) 6.167 8.347 ( -0.000 -4.228 -0.000) 4.228 8.500 ( -0.000 -0.637 -0.000) 0.637 8.838 ( 0.000 8.856 0.000) 8.856 8.864 ( 0.000 9.189 0.000) 9.189 9.032 ( 0.000 8.286 0.000) 8.286 9.130 ( -0.000 -1.198 -0.000) 1.198 9.184 ( 0.000 6.806 0.000) 6.806 9.230 ( -0.000 -13.230 -0.000) 13.230 9.770 ( 0.000 2.138 0.000) 2.138 10.512 ( 0.000 1.325 0.000) 1.325 10.545 ( -0.000 -2.473 -0.000) 2.473 10.917 ( -0.000 -3.107 -0.000) 3.107 12.039 ( -0.000 -1.968 -0.000) 1.968 12.593 ( 0.000 0.493 0.000) 0.493 12.781 ( 0.000 0.805 0.000) 0.805 13.729 ( -0.000 -13.834 -0.000) 13.834 13.753 ( -0.000 -1.952 -0.000) 1.952 14.240 ( 0.000 4.070 0.000) 4.070 14.323 ( -0.000 -1.973 -0.000) 1.973 14.427 ( -0.000 -0.633 -0.000) 0.633 14.520 ( -0.000 -8.967 -0.000) 8.967 14.613 ( -0.000 -1.592 -0.000) 1.592 14.697 ( -0.000 -4.698 -0.000) 4.698 15.113 ( -0.000 -19.344 -0.000) 19.344 15.187 ( 0.000 2.795 0.000) 2.795 15.276 ( -0.000 -13.994 -0.000) 13.994 15.388 ( 0.000 9.132 0.000) 9.132 15.605 ( -0.000 -23.370 -0.000) 23.370 15.681 ( 0.000 8.876 0.000) 8.876 16.053 ( -0.000 -4.057 -0.000) 4.057 16.170 ( -0.000 -6.118 -0.000) 6.118 16.314 ( -0.000 -1.458 -0.000) 1.458 16.506 ( 0.000 3.155 0.000) 3.155 16.864 ( 0.000 15.357 0.000) 15.357 17.418 ( -0.000 -0.301 -0.000) 0.301 17.627 ( 0.000 0.993 0.000) 0.993 17.809 ( -0.000 -4.643 -0.000) 4.643 17.918 ( 0.000 17.484 0.000) 17.484 18.167 ( 0.000 18.455 0.000) 18.455 18.265 ( 0.000 15.965 0.000) 15.965 18.778 ( 0.000 1.594 0.000) 1.594 18.831 ( 0.000 2.660 0.000) 2.660 18.927 ( 0.000 4.853 0.000) 4.853 20.020 ( -0.000 -0.187 -0.000) 0.187 20.919 ( 0.000 0.833 0.000) 0.833 20.928 ( -0.000 -3.205 -0.000) 3.205 21.382 ( -0.000 -2.686 -0.000) 2.686 21.416 ( 0.000 2.298 0.000) 2.298 21.578 ( -0.000 -0.605 -0.000) 0.605 21.645 ( -0.000 -0.985 -0.000) 0.985 21.689 ( 0.000 2.644 0.000) 2.644 22.293 ( 0.000 3.398 0.000) 3.398 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 32.780 0.000 9.221) 34.052 1.370 ( 38.250 0.000 -22.347) 44.299 2.397 ( -5.703 -0.000 -5.478) 7.908 2.598 ( 71.813 0.000 11.142) 72.672 2.650 ( -15.411 -0.000 30.512) 34.183 2.910 ( -6.053 -0.000 -4.566) 7.582 3.009 ( -3.578 -0.000 -3.873) 5.273 3.360 ( -4.612 -0.000 9.600) 10.650 3.363 ( -18.156 -0.000 13.332) 22.526 3.570 ( 5.695 0.000 -23.154) 23.844 3.580 ( 21.226 0.000 -0.727) 21.238 3.590 ( -1.335 -0.000 -2.454) 2.794 4.176 ( -35.672 -0.000 -22.993) 42.440 4.314 ( -36.082 -0.000 -12.505) 38.187 4.465 ( -1.427 -0.000 -2.170) 2.597 4.849 ( 10.342 0.000 22.838) 25.070 5.010 ( 6.890 0.000 7.877) 10.465 5.477 ( -24.852 -0.000 -6.676) 25.733 5.588 ( 4.426 0.000 4.484) 6.301 5.610 ( 26.226 0.000 -11.054) 28.460 5.786 ( 1.439 0.000 1.511) 2.087 6.152 ( 13.439 0.000 -9.586) 16.507 6.348 ( 9.953 0.000 4.611) 10.970 6.489 ( 7.609 0.000 4.418) 8.799 6.620 ( -5.054 -0.000 -0.246) 5.060 6.739 ( 1.368 0.000 1.174) 1.803 6.856 ( -1.430 -0.000 -24.916) 24.957 6.890 ( -5.714 -0.000 -3.457) 6.679 6.996 ( -33.195 -0.000 -10.886) 34.935 7.077 ( -0.309 -0.000 9.083) 9.088 7.094 ( 2.124 0.000 -13.845) 14.007 7.182 ( -2.346 -0.000 0.348) 2.372 7.225 ( -13.058 -0.000 5.742) 14.265 7.283 ( 8.446 0.000 3.981) 9.337 7.383 ( -0.944 -0.000 1.017) 1.388 7.416 ( 35.786 0.000 19.678) 40.840 7.556 ( 3.249 0.000 -6.489) 7.257 7.710 ( -5.474 -0.000 1.516) 5.680 8.063 ( -1.204 -0.000 -1.370) 1.824 8.142 ( -25.945 -0.000 -5.287) 26.479 8.238 ( -10.459 -0.000 -2.243) 10.696 8.312 ( -10.125 -0.000 9.133) 13.635 8.655 ( -0.534 -0.000 0.186) 0.565 8.881 ( 0.621 0.000 -1.849) 1.951 8.914 ( -14.544 -0.000 -14.113) 20.266 9.373 ( 20.529 0.000 4.894) 21.104 10.117 ( 15.422 0.000 8.432) 17.576 10.184 ( 13.550 0.000 -2.299) 13.744 10.494 ( -6.283 -0.000 -2.234) 6.668 10.595 ( 2.027 0.000 3.434) 3.988 12.428 ( 2.594 0.000 0.983) 2.775 12.919 ( 2.837 0.000 -2.125) 3.544 13.649 ( 0.866 0.000 0.335) 0.928 13.806 ( 1.231 0.000 -1.252) 1.756 14.036 ( 13.659 0.000 5.182) 14.608 14.173 ( -9.963 -0.000 5.067) 11.177 14.243 ( -7.098 -0.000 2.476) 7.517 14.344 ( -15.993 -0.000 -11.454) 19.671 14.375 ( -3.730 -0.000 -4.989) 6.229 14.749 ( 3.747 0.000 -7.139) 8.062 14.976 ( 4.969 0.000 -2.477) 5.552 15.221 ( -4.088 -0.000 2.880) 5.000 15.301 ( -6.870 -0.000 -0.104) 6.870 15.667 ( -19.132 -0.000 -5.006) 19.777 15.854 ( 16.234 0.000 13.645) 21.207 15.888 ( -3.443 -0.000 34.076) 34.249 15.988 ( 9.272 0.000 13.411) 16.304 16.395 ( 2.435 0.000 1.801) 3.029 16.469 ( 1.681 0.000 -4.262) 4.581 16.779 ( -4.730 -0.000 1.415) 4.937 16.870 ( -3.213 -0.000 -0.734) 3.296 17.195 ( -0.596 -0.000 -0.550) 0.811 17.207 ( -1.911 -0.000 14.630) 14.755 17.236 ( 0.418 0.000 0.513) 0.662 17.577 ( -0.968 -0.000 -0.238) 0.997 17.668 ( 9.838 0.000 -18.363) 20.833 17.904 ( 1.454 0.000 0.267) 1.479 18.190 ( 11.554 0.000 -2.051) 11.735 18.354 ( -9.734 -0.000 19.002) 21.350 18.755 ( -1.195 -0.000 -6.039) 6.156 19.276 ( 15.225 0.000 -5.444) 16.169 19.946 ( -5.369 -0.000 9.399) 10.824 20.373 ( -2.690 -0.000 -31.507) 31.622 20.714 ( -5.008 -0.000 -7.348) 8.892 21.021 ( -2.423 -0.000 3.416) 4.188 21.287 ( -1.705 -0.000 1.285) 2.135 21.481 ( 4.136 0.000 3.735) 5.573 21.616 ( 1.816 0.000 1.758) 2.528 21.779 ( 2.443 0.000 2.174) 3.270 22.127 ( -3.289 -0.000 -3.253) 4.626 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 30.008 -11.022 -1.437) 32.000 1.914 ( 30.166 -23.392 -16.187) 41.463 2.491 ( -14.039 4.520 26.724) 30.524 2.723 ( -1.236 -33.320 -2.960) 33.474 2.876 ( -13.710 -9.266 -5.621) 17.476 3.122 ( 1.912 -10.677 0.099) 10.847 3.252 ( -18.685 -7.123 14.290) 24.578 3.336 ( 3.753 -4.506 7.921) 9.856 3.403 ( 48.215 -17.151 9.378) 52.027 3.556 ( -0.149 1.220 15.204) 15.254 3.619 ( 7.421 0.593 -37.169) 37.907 3.864 ( 21.827 -8.950 -1.045) 23.614 3.911 ( -30.931 -0.277 -16.076) 34.860 3.976 ( -28.252 -1.058 -13.158) 31.184 4.467 ( 1.851 0.147 -2.828) 3.383 4.846 ( -8.987 -2.316 16.181) 18.653 5.132 ( 13.149 5.516 10.770) 17.869 5.271 ( -9.039 -0.591 1.464) 9.176 5.531 ( 6.432 13.318 1.361) 14.852 5.694 ( 6.721 12.670 1.644) 14.436 5.821 ( 23.070 3.657 -11.081) 25.854 6.208 ( 6.046 13.020 -0.686) 14.372 6.257 ( 7.695 8.124 -2.705) 11.512 6.344 ( -5.583 10.152 -0.798) 11.613 6.545 ( -6.312 1.752 2.474) 7.002 6.690 ( -3.590 4.224 -6.747) 8.732 6.740 ( -7.201 1.186 -3.167) 7.956 6.837 ( -16.203 -2.153 -2.390) 16.519 6.958 ( -7.142 -4.231 0.496) 8.316 6.987 ( -2.612 4.729 0.721) 5.450 7.103 ( -8.599 2.455 2.144) 9.196 7.264 ( -6.779 -2.594 -0.790) 7.301 7.267 ( -5.045 -7.151 -2.749) 9.173 7.306 ( 1.238 -9.169 -7.115) 11.672 7.424 ( 6.874 -3.399 2.753) 8.147 7.569 ( -2.506 -4.072 -4.187) 6.356 7.711 ( 3.925 -5.154 5.165) 8.285 7.844 ( 13.315 -9.244 4.962) 16.952 7.925 ( -23.859 -2.849 -5.729) 24.702 8.084 ( -6.644 0.864 -1.407) 6.846 8.107 ( -2.277 -2.254 5.881) 6.698 8.259 ( -10.235 -2.047 3.983) 11.172 8.726 ( 10.185 -1.191 1.751) 10.403 8.811 ( -9.061 -2.685 -10.028) 13.780 9.046 ( -4.800 -16.667 -4.980) 18.045 9.516 ( 18.432 3.159 4.195) 19.165 10.234 ( 12.209 0.678 4.953) 13.193 10.293 ( 10.002 -0.794 -0.582) 10.050 10.415 ( -6.979 1.813 -1.715) 7.412 10.612 ( -0.011 -0.595 2.470) 2.541 12.472 ( 4.999 -0.934 2.746) 5.780 12.928 ( -0.480 0.129 -3.535) 3.569 13.584 ( 3.158 8.131 1.746) 8.896 13.594 ( -6.112 19.544 -4.996) 21.078 14.041 ( -5.108 0.044 -1.054) 5.216 14.125 ( -7.146 -2.789 6.346) 9.956 14.235 ( 12.102 0.062 3.708) 12.657 14.350 ( -3.950 -2.398 0.155) 4.624 14.373 ( -1.089 -2.783 -5.495) 6.255 14.852 ( 4.482 -4.476 -8.328) 10.463 14.990 ( 1.710 0.813 -0.483) 1.954 15.176 ( -2.314 4.766 -0.834) 5.363 15.253 ( -7.335 -3.465 0.310) 8.118 15.486 ( -19.272 1.497 -3.594) 19.661 15.673 ( 0.131 21.331 30.971) 37.606 15.794 ( 4.893 20.938 -0.694) 21.513 15.971 ( 13.183 3.616 11.181) 17.660 16.221 ( -0.014 22.764 1.076) 22.790 16.443 ( 1.515 19.839 0.931) 19.918 16.460 ( -0.230 1.783 -4.610) 4.948 16.637 ( 1.693 4.393 -1.535) 4.952 16.926 ( 3.011 11.868 -0.843) 12.273 17.512 ( 1.594 -10.077 -5.499) 11.589 17.555 ( -1.312 -17.227 -0.123) 17.277 17.683 ( 2.040 -15.555 -2.669) 15.913 17.831 ( 3.188 -12.717 -5.798) 14.335 17.918 ( 3.374 -1.477 -3.322) 4.960 18.291 ( 10.907 1.622 4.061) 11.751 18.304 ( -8.079 -3.087 18.477) 20.401 18.812 ( -1.199 -5.208 -4.321) 6.872 19.419 ( 12.344 -0.511 -6.279) 13.859 19.955 ( -2.971 -5.373 13.559) 14.884 20.536 ( -8.764 -11.827 -13.926) 20.264 20.737 ( -8.323 -11.456 -13.188) 19.350 21.013 ( -0.810 -0.190 2.671) 2.798 21.240 ( -4.895 1.836 -0.659) 5.269 21.522 ( 5.832 1.164 5.716) 8.249 21.645 ( 2.515 -1.291 1.731) 3.315 21.812 ( 1.670 -2.166 1.246) 3.006 22.091 ( -3.711 0.211 -3.023) 4.791 ======================= Grid point 21 (15/129) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 26.350 -11.484 -14.200) 32.060 2.260 ( -11.242 8.887 21.319) 25.688 2.631 ( 22.250 -28.340 -10.222) 37.453 2.868 ( -17.786 -9.083 6.158) 20.899 3.318 ( -16.391 -16.785 11.230) 26.010 3.354 ( -2.030 -12.648 -0.989) 12.848 3.377 ( -3.813 -8.612 1.368) 9.518 3.417 ( -8.319 -1.709 -3.289) 9.108 3.525 ( -1.062 -1.264 7.859) 8.030 3.596 ( -6.926 -10.171 0.498) 12.315 3.635 ( 3.863 0.321 -28.954) 29.212 3.993 ( -19.659 -37.064 -14.271) 44.315 4.235 ( 20.251 -13.639 3.394) 24.651 4.425 ( 35.158 -18.725 5.634) 40.230 4.516 ( 18.755 -6.844 0.133) 19.965 4.820 ( -10.596 -3.116 12.492) 16.674 5.009 ( -17.325 -1.791 -1.955) 17.526 5.226 ( 4.087 21.339 0.317) 21.729 5.355 ( 21.205 7.821 15.299) 27.292 5.417 ( 6.401 20.824 0.443) 21.790 5.745 ( 7.017 18.402 -6.566) 20.760 5.840 ( 0.673 24.068 1.218) 24.109 6.188 ( -3.765 -2.624 -4.569) 6.476 6.235 ( 6.899 11.140 -5.663) 14.274 6.464 ( -2.179 2.009 8.231) 8.748 6.600 ( -2.300 4.944 -2.802) 6.131 6.632 ( -9.007 0.630 -3.097) 9.546 6.731 ( -7.773 3.089 1.204) 8.451 6.868 ( -6.481 3.714 -1.905) 7.709 6.909 ( -3.606 3.778 -0.503) 5.247 6.986 ( -8.339 -0.649 -1.939) 8.586 7.145 ( -7.103 2.623 -3.407) 8.303 7.277 ( -7.927 7.401 -4.310) 11.670 7.442 ( 6.279 -4.177 2.548) 7.961 7.582 ( -0.089 -1.366 6.315) 6.462 7.619 ( 0.754 -8.465 0.230) 8.502 7.797 ( -11.769 -4.772 -7.420) 14.709 7.884 ( -10.633 -10.561 -1.195) 15.034 7.937 ( 1.254 1.926 -0.118) 2.301 8.097 ( -9.256 -5.591 5.514) 12.138 8.179 ( -12.194 -12.866 -6.351) 18.830 8.365 ( 10.746 -7.009 4.057) 13.456 8.810 ( 0.551 -6.935 -1.500) 7.117 8.902 ( 12.896 -1.584 2.733) 13.278 9.315 ( -5.442 -14.928 -5.018) 16.662 9.574 ( 14.976 6.357 3.069) 16.556 10.225 ( -5.766 4.711 -1.809) 7.663 10.383 ( 4.968 -0.555 -0.778) 5.059 10.410 ( 7.656 -4.202 4.190) 9.686 10.613 ( -1.841 -0.277 0.951) 2.090 12.543 ( 6.162 -1.099 3.641) 7.241 12.903 ( -3.598 0.537 -4.226) 5.576 13.095 ( -6.941 25.131 -4.594) 26.473 13.450 ( 2.440 8.357 1.684) 8.868 14.031 ( -1.314 -1.070 -3.298) 3.708 14.130 ( -6.309 -2.612 7.286) 9.985 14.271 ( 0.446 5.005 -3.387) 6.060 14.343 ( 0.591 0.639 2.473) 2.622 14.435 ( 15.965 2.172 5.749) 17.107 14.824 ( 2.772 8.475 -1.578) 9.055 14.947 ( -0.742 10.998 -2.404) 11.282 14.986 ( 1.031 13.800 1.690) 13.942 15.223 ( -14.223 7.361 0.333) 16.018 15.297 ( -3.966 -3.089 -1.812) 5.344 15.436 ( -0.663 -0.211 -7.281) 7.314 15.504 ( -0.865 9.192 6.010) 11.016 15.727 ( -0.269 16.407 0.175) 16.410 16.044 ( 10.134 4.285 7.426) 13.274 16.216 ( -2.703 7.627 5.898) 10.013 16.401 ( -1.810 2.821 -4.123) 5.313 16.672 ( 6.898 -1.475 -2.920) 7.634 16.845 ( -1.404 -0.977 -0.306) 1.738 17.576 ( 6.706 1.116 -10.080) 12.159 17.839 ( -5.117 -8.486 5.744) 11.454 17.950 ( 0.974 -5.492 -2.023) 5.933 17.984 ( 3.740 -13.448 -2.841) 14.244 18.204 ( -0.907 -20.634 -0.887) 20.673 18.274 ( -0.039 1.519 6.751) 6.920 18.380 ( 2.370 -4.046 11.849) 12.743 18.886 ( 0.539 -2.502 -6.759) 7.227 19.426 ( 4.420 7.334 -4.455) 9.653 20.114 ( 3.179 -8.008 10.162) 13.323 20.622 ( -0.328 -6.657 0.568) 6.689 20.906 ( -13.740 -13.114 -12.532) 22.756 21.010 ( -0.210 -0.651 -2.312) 2.411 21.151 ( -5.761 1.955 -0.379) 6.095 21.533 ( 5.481 2.766 4.703) 7.733 21.695 ( 4.879 -0.217 2.272) 5.387 21.895 ( -2.805 -5.623 -0.960) 6.357 22.072 ( -1.977 -2.156 -1.164) 3.148 ======================= Grid point 22 (16/129) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -7.999 14.157 10.943) 19.600 2.498 ( 23.338 -10.000 -20.299) 32.508 2.870 ( -19.347 -7.909 17.123) 27.019 2.977 ( -11.563 17.955 -4.358) 21.797 3.345 ( 15.526 -25.765 -3.861) 30.328 3.482 ( 2.878 -5.588 -2.329) 6.703 3.567 ( 3.913 -5.134 3.633) 7.407 3.590 ( -0.069 -5.423 1.910) 5.750 3.634 ( -10.492 -22.701 3.820) 25.298 3.694 ( -5.570 -11.400 -9.779) 16.019 3.737 ( -6.979 -10.434 -4.626) 13.378 4.524 ( 4.281 -2.671 -1.584) 5.289 4.641 ( 12.648 -9.982 -1.642) 16.196 4.777 ( -7.570 -1.652 7.711) 10.932 4.793 ( 0.273 -21.249 -3.614) 21.556 4.859 ( -2.041 14.491 1.734) 14.736 4.923 ( -10.762 -3.793 -0.712) 11.433 5.057 ( 5.939 -7.905 -1.441) 9.992 5.294 ( 10.605 13.138 6.817) 18.208 5.346 ( 13.772 9.440 0.252) 16.698 5.369 ( 7.270 8.728 3.673) 11.938 5.479 ( 15.376 7.745 7.833) 18.915 5.861 ( 1.118 30.438 -0.896) 30.472 6.233 ( -12.491 -7.143 -10.349) 17.725 6.437 ( 0.105 2.227 3.272) 3.959 6.513 ( 0.790 1.906 2.468) 3.217 6.550 ( -7.514 -1.069 1.706) 7.779 6.613 ( -5.763 2.471 -2.543) 6.767 6.761 ( -1.207 5.617 -1.490) 5.935 6.825 ( 1.839 2.376 0.385) 3.029 6.926 ( -8.300 1.370 -3.698) 9.190 6.998 ( 3.685 8.790 1.853) 9.710 7.123 ( -2.293 0.852 -3.660) 4.402 7.476 ( -15.019 3.443 -5.853) 16.483 7.611 ( 5.861 -4.465 5.773) 9.360 7.719 ( 4.796 -0.634 5.118) 7.043 7.787 ( -4.363 -0.881 -2.352) 5.034 7.910 ( -5.179 -0.955 -6.549) 8.404 7.999 ( -8.096 -8.858 -2.127) 12.187 8.150 ( -3.263 -10.123 3.534) 11.207 8.397 ( 6.359 -10.728 7.509) 14.558 8.560 ( -8.642 -13.917 -10.244) 19.322 9.004 ( 9.143 -6.296 5.550) 12.412 9.021 ( 9.664 -0.164 2.141) 9.900 9.457 ( -2.945 -4.175 -3.326) 6.096 9.542 ( 8.398 7.915 1.018) 11.585 10.054 ( -7.735 5.970 -0.870) 9.810 10.434 ( 2.728 -0.946 -0.189) 2.894 10.578 ( 3.603 -3.780 2.841) 5.945 10.599 ( 0.163 -2.851 -0.394) 2.883 12.554 ( -2.805 16.539 -1.552) 16.847 12.640 ( 2.423 5.642 1.983) 6.452 12.855 ( -4.378 0.742 -3.887) 5.901 13.350 ( 1.944 3.738 1.162) 4.371 13.909 ( -2.216 13.214 -2.024) 13.550 14.115 ( -0.645 -3.422 -0.342) 3.499 14.247 ( -1.234 -4.035 3.115) 5.245 14.366 ( 1.808 -1.216 0.460) 2.227 14.518 ( 15.657 5.715 9.382) 19.126 14.686 ( -0.336 12.746 -1.133) 12.801 14.708 ( 2.396 6.155 2.895) 7.211 14.720 ( -0.675 12.663 -2.989) 13.029 14.910 ( -13.716 6.671 -6.584) 16.612 15.332 ( -0.877 0.700 -1.966) 2.264 15.420 ( 0.494 0.643 -3.176) 3.278 15.545 ( 1.147 -6.708 -1.589) 6.988 15.616 ( -5.026 -4.195 2.444) 6.988 16.031 ( 3.426 4.892 1.243) 6.100 16.091 ( 0.452 3.938 7.058) 8.095 16.335 ( -1.938 2.163 -2.322) 3.719 16.714 ( 5.966 3.590 -3.567) 7.824 16.942 ( -3.692 -11.062 1.464) 11.753 17.614 ( 8.499 1.457 -11.115) 14.068 17.789 ( -11.164 1.333 12.535) 16.838 18.023 ( 7.618 7.276 0.382) 10.542 18.214 ( -3.214 -4.066 -3.414) 6.206 18.354 ( 0.022 -16.639 1.150) 16.678 18.434 ( 3.042 -4.952 1.507) 6.004 18.590 ( -1.902 -15.147 4.019) 15.786 18.880 ( 0.519 4.287 -4.209) 6.030 19.274 ( 1.066 9.657 -1.172) 9.786 20.194 ( 0.600 1.438 1.225) 1.982 20.813 ( 4.490 -5.970 4.164) 8.552 20.930 ( -1.857 -3.669 2.779) 4.963 21.062 ( -1.845 -1.683 -3.213) 4.069 21.114 ( -8.352 -7.573 -7.375) 13.472 21.531 ( 3.992 1.834 2.659) 5.135 21.744 ( 7.431 0.735 1.417) 7.601 21.895 ( -9.123 -0.514 -1.933) 9.340 22.169 ( 1.354 -6.899 0.507) 7.049 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 18.399 0.000) 18.399 2.502 ( 0.000 25.554 0.000) 25.554 2.809 ( -0.000 -7.694 -0.000) 7.694 2.895 ( -0.000 -7.628 -0.000) 7.628 3.469 ( 0.000 1.750 0.000) 1.750 3.604 ( 0.000 1.278 0.000) 1.278 3.788 ( -0.000 -6.940 -0.000) 6.940 3.789 ( -0.000 -5.503 -0.000) 5.503 3.838 ( -0.000 -10.033 -0.000) 10.033 4.031 ( -0.000 -22.534 -0.000) 22.534 4.042 ( -0.000 -25.060 -0.000) 25.060 4.514 ( 0.000 5.887 0.000) 5.887 4.649 ( 0.000 15.226 0.000) 15.226 4.681 ( 0.000 8.447 0.000) 8.447 4.721 ( 0.000 4.417 0.000) 4.417 4.758 ( -0.000 -0.699 -0.000) 0.699 4.829 ( 0.000 17.304 0.000) 17.304 4.893 ( 0.000 25.756 0.000) 25.756 4.950 ( -0.000 -0.898 -0.000) 0.898 5.121 ( 0.000 41.978 0.000) 41.978 5.273 ( -0.000 -4.365 -0.000) 4.365 5.863 ( -0.000 -8.423 -0.000) 8.423 5.965 ( -0.000 -47.375 -0.000) 47.375 6.306 ( -0.000 -8.168 -0.000) 8.168 6.430 ( -0.000 -0.940 -0.000) 0.940 6.480 ( 0.000 2.486 0.000) 2.486 6.540 ( 0.000 0.232 0.000) 0.232 6.565 ( 0.000 0.977 0.000) 0.977 6.657 ( 0.000 4.170 0.000) 4.170 6.831 ( 0.000 0.783 0.000) 0.783 6.847 ( -0.000 -2.374 -0.000) 2.374 6.952 ( 0.000 1.048 0.000) 1.048 7.098 ( 0.000 0.192 0.000) 0.192 7.294 ( 0.000 4.888 0.000) 4.888 7.657 ( 0.000 2.154 0.000) 2.154 7.681 ( 0.000 6.076 0.000) 6.076 7.780 ( -0.000 -0.071 -0.000) 0.071 7.992 ( -0.000 -8.514 -0.000) 8.514 8.091 ( -0.000 -7.268 -0.000) 7.268 8.330 ( -0.000 -8.818 -0.000) 8.818 8.679 ( -0.000 -13.379 -0.000) 13.379 8.755 ( -0.000 -13.362 -0.000) 13.362 9.062 ( 0.000 1.072 0.000) 1.072 9.110 ( 0.000 0.668 0.000) 0.668 9.395 ( 0.000 9.683 0.000) 9.683 9.464 ( 0.000 3.198 0.000) 3.198 9.907 ( 0.000 5.291 0.000) 5.291 10.466 ( -0.000 -1.386 -0.000) 1.386 10.562 ( 0.000 1.143 0.000) 1.143 10.751 ( -0.000 -6.510 -0.000) 6.510 12.194 ( 0.000 13.773 0.000) 13.773 12.643 ( 0.000 1.063 0.000) 1.063 12.816 ( 0.000 0.877 0.000) 0.877 13.362 ( -0.000 -4.062 -0.000) 4.062 13.707 ( 0.000 5.503 0.000) 5.503 14.197 ( -0.000 -4.568 -0.000) 4.568 14.325 ( -0.000 -3.550 -0.000) 3.550 14.405 ( -0.000 -1.380 -0.000) 1.380 14.484 ( 0.000 6.881 0.000) 6.881 14.494 ( 0.000 4.418 0.000) 4.418 14.578 ( -0.000 -2.141 -0.000) 2.141 14.665 ( 0.000 0.793 0.000) 0.793 14.811 ( -0.000 -0.996 -0.000) 0.996 15.290 ( 0.000 2.615 0.000) 2.615 15.411 ( -0.000 -0.118 -0.000) 0.118 15.599 ( 0.000 0.769 0.000) 0.769 15.761 ( -0.000 -10.791 -0.000) 10.791 15.933 ( 0.000 5.869 0.000) 5.869 16.067 ( 0.000 0.680 0.000) 0.680 16.295 ( 0.000 0.875 0.000) 0.875 16.660 ( 0.000 4.482 0.000) 4.482 17.129 ( -0.000 -9.336 -0.000) 9.336 17.642 ( 0.000 7.334 0.000) 7.334 17.663 ( 0.000 0.792 0.000) 0.792 17.829 ( 0.000 11.900 0.000) 11.900 18.274 ( -0.000 -1.710 -0.000) 1.710 18.465 ( -0.000 -0.350 -0.000) 0.350 18.673 ( -0.000 -11.818 -0.000) 11.818 18.705 ( 0.000 11.163 0.000) 11.163 18.804 ( -0.000 -5.676 -0.000) 5.676 19.132 ( 0.000 5.957 0.000) 5.957 20.120 ( 0.000 5.338 0.000) 5.338 20.834 ( -0.000 -0.404 -0.000) 0.404 20.994 ( 0.000 1.898 0.000) 1.898 21.142 ( -0.000 -8.308 -0.000) 8.308 21.251 ( -0.000 -9.830 -0.000) 9.830 21.535 ( -0.000 -0.038 -0.000) 0.038 21.772 ( 0.000 3.861 0.000) 3.861 21.806 ( 0.000 1.414 0.000) 1.414 22.289 ( -0.000 -4.434 -0.000) 4.434 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 29.630 0.000 9.515) 31.120 1.985 ( 34.334 0.000 -20.738) 40.111 2.319 ( -2.965 -0.000 -3.084) 4.278 2.437 ( -10.489 -0.000 20.830) 23.322 2.638 ( -19.505 -0.000 -10.592) 22.196 2.998 ( -24.521 -0.000 15.444) 28.979 3.057 ( 4.518 0.000 -0.775) 4.584 3.261 ( -6.977 -0.000 7.295) 10.094 3.564 ( -0.229 -0.000 4.796) 4.801 3.620 ( -4.180 -0.000 1.012) 4.301 3.631 ( -4.738 -0.000 -25.827) 26.258 3.693 ( -6.449 -0.000 -19.237) 20.289 3.923 ( 39.994 0.000 10.052) 41.238 3.997 ( 26.319 0.000 0.551) 26.325 4.486 ( 2.719 0.000 -4.240) 5.037 4.754 ( -7.590 -0.000 13.382) 15.384 4.984 ( -29.171 -0.000 -4.846) 29.570 5.479 ( 24.254 0.000 19.188) 30.927 5.741 ( 9.562 0.000 2.517) 9.888 5.877 ( 7.626 0.000 2.132) 7.918 6.037 ( 17.754 0.000 -6.769) 19.001 6.198 ( -40.277 -0.000 -15.696) 43.228 6.329 ( 7.165 0.000 -6.636) 9.766 6.471 ( -5.652 -0.000 4.464) 7.202 6.490 ( 4.409 0.000 2.003) 4.842 6.628 ( 2.802 0.000 1.839) 3.351 6.718 ( -11.714 -0.000 -6.702) 13.496 6.803 ( 4.350 0.000 -1.873) 4.736 6.809 ( -1.961 -0.000 -10.652) 10.831 7.029 ( -15.278 -0.000 -4.607) 15.958 7.035 ( -4.434 -0.000 8.931) 9.971 7.136 ( -1.450 -0.000 -0.631) 1.581 7.174 ( 3.533 0.000 -3.576) 5.027 7.325 ( -1.425 -0.000 0.710) 1.592 7.431 ( -9.693 -0.000 -6.844) 11.866 7.502 ( 9.757 0.000 2.721) 10.129 7.636 ( -0.671 -0.000 0.784) 1.033 7.674 ( -20.156 -0.000 -3.630) 20.481 7.986 ( 17.793 0.000 16.688) 24.394 8.027 ( -13.308 -0.000 -3.122) 13.669 8.140 ( -1.984 -0.000 8.509) 8.737 8.144 ( 8.030 0.000 6.157) 10.119 8.671 ( -12.132 -0.000 -12.401) 17.348 8.786 ( -9.857 -0.000 -7.085) 12.139 8.856 ( 14.654 0.000 2.607) 14.884 9.699 ( 16.004 0.000 3.857) 16.463 10.327 ( 2.434 0.000 -1.057) 2.654 10.360 ( 6.702 0.000 -1.023) 6.780 10.377 ( -1.372 -0.000 3.261) 3.538 10.603 ( -0.932 -0.000 1.837) 2.060 12.517 ( 6.694 0.000 4.080) 7.839 12.910 ( -3.331 -0.000 -4.887) 5.914 13.672 ( 1.795 0.000 1.061) 2.085 13.830 ( 1.762 0.000 -3.379) 3.811 13.971 ( -12.287 -0.000 -8.106) 14.720 14.015 ( -7.540 -0.000 8.300) 11.214 14.157 ( -3.316 -0.000 -1.605) 3.684 14.324 ( -1.747 -0.000 -3.588) 3.991 14.466 ( 21.616 0.000 7.929) 23.024 14.814 ( 4.022 0.000 -4.786) 6.252 14.989 ( -2.835 -0.000 3.696) 4.658 15.180 ( -5.308 -0.000 -0.868) 5.378 15.242 ( 4.572 0.000 -6.405) 7.869 15.297 ( -22.760 -0.000 -7.080) 23.836 15.802 ( -7.196 -0.000 24.491) 25.526 16.099 ( 10.686 0.000 10.014) 14.645 16.160 ( 8.418 0.000 2.058) 8.666 16.456 ( 3.934 0.000 0.543) 3.972 16.465 ( -1.467 -0.000 -5.219) 5.421 16.689 ( -5.199 -0.000 1.595) 5.438 16.810 ( -3.339 -0.000 -1.311) 3.587 17.178 ( -0.924 -0.000 -0.544) 1.072 17.205 ( 0.326 0.000 4.720) 4.731 17.252 ( 1.017 0.000 0.620) 1.191 17.559 ( -0.866 -0.000 -0.273) 0.908 17.824 ( 9.204 0.000 -18.765) 20.900 17.926 ( 0.998 0.000 0.193) 1.016 18.207 ( -8.244 -0.000 19.351) 21.034 18.383 ( 9.586 0.000 -3.305) 10.140 18.722 ( -2.347 -0.000 -1.047) 2.570 19.508 ( 11.343 0.000 -7.618) 13.664 19.855 ( -5.488 -0.000 12.452) 13.607 20.301 ( -3.014 -0.000 -16.639) 16.909 20.625 ( -4.409 -0.000 -2.953) 5.306 21.025 ( 2.704 0.000 1.905) 3.308 21.210 ( -5.971 -0.000 -1.464) 6.148 21.577 ( 5.095 0.000 4.952) 7.105 21.645 ( 1.196 0.000 1.140) 1.653 21.816 ( 1.712 0.000 1.421) 2.225 22.062 ( -3.533 -0.000 -3.290) 4.828 ======================= Grid point 29 (19/129) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 25.893 -9.295 1.969) 27.581 2.315 ( -4.396 3.282 10.159) 11.546 2.416 ( 24.265 -13.502 -13.764) 30.993 2.530 ( -17.892 -10.103 -6.012) 21.409 2.768 ( 0.231 -41.168 0.583) 41.173 2.877 ( -24.155 -11.346 14.567) 30.404 3.170 ( 3.669 -7.474 -2.502) 8.693 3.251 ( -5.487 -5.178 5.370) 9.260 3.477 ( -12.200 5.814 -6.595) 15.038 3.509 ( -12.172 -4.443 -8.445) 15.467 3.602 ( 1.483 1.116 18.612) 18.704 3.660 ( 1.072 0.633 -27.453) 27.481 4.269 ( 25.616 -4.617 3.260) 26.232 4.441 ( 14.329 -5.343 1.126) 15.334 4.628 ( 42.833 -8.386 5.357) 43.974 4.715 ( -5.202 -0.940 7.790) 9.415 4.761 ( -22.582 -3.555 -2.271) 22.973 5.529 ( -21.075 -3.225 3.326) 21.578 5.646 ( 4.419 16.144 1.385) 16.796 5.792 ( -1.163 12.463 -1.507) 12.608 5.892 ( -3.820 7.959 1.406) 8.940 6.150 ( 12.692 9.207 -4.899) 16.427 6.298 ( 5.866 15.355 0.122) 16.438 6.392 ( 4.856 2.843 -4.686) 7.323 6.468 ( -1.919 -1.545 5.991) 6.478 6.588 ( -8.018 1.743 -5.428) 9.838 6.621 ( -2.848 3.096 -3.730) 5.622 6.766 ( 0.857 2.228 0.058) 2.388 6.828 ( -12.860 0.425 0.400) 12.873 6.916 ( -3.837 -1.499 0.262) 4.127 7.011 ( -1.549 0.322 2.680) 3.112 7.168 ( -2.840 -3.337 -4.486) 6.271 7.174 ( -2.371 3.441 -1.548) 4.456 7.367 ( 5.335 -9.227 0.080) 10.658 7.480 ( -4.474 -7.275 -5.196) 9.997 7.575 ( 3.454 -2.974 1.078) 4.684 7.605 ( -8.114 -4.273 -1.400) 9.277 7.693 ( 3.564 -3.674 2.686) 5.781 7.858 ( -11.142 1.561 -3.967) 11.930 7.986 ( -8.745 -1.421 5.623) 10.493 8.088 ( 5.135 5.773 3.699) 8.566 8.390 ( 12.395 -2.291 7.092) 14.463 8.659 ( -0.493 -8.921 -2.426) 9.258 8.868 ( -10.227 -16.232 -6.960) 20.409 8.999 ( 7.706 -4.790 0.830) 9.111 9.786 ( 10.678 3.491 2.607) 11.532 10.248 ( -6.347 3.448 -2.547) 7.659 10.408 ( 2.980 -0.512 -0.443) 3.056 10.423 ( 4.779 -0.948 3.080) 5.763 10.596 ( -1.080 -0.159 0.755) 1.327 12.582 ( 5.608 -0.704 3.616) 6.710 12.872 ( -4.023 0.238 -4.117) 5.761 13.489 ( -3.706 22.332 -2.475) 22.772 13.623 ( 0.877 7.530 0.112) 7.582 13.978 ( -0.886 -2.759 -2.397) 3.761 14.025 ( -4.051 -3.630 4.783) 7.243 14.252 ( -1.795 -7.297 -1.714) 7.708 14.319 ( -0.640 -0.791 -1.435) 1.759 14.650 ( 22.676 1.464 8.142) 24.138 14.924 ( 4.077 -3.293 -6.277) 8.177 14.971 ( -3.504 -3.019 4.036) 6.139 15.055 ( -16.694 3.847 -5.756) 18.073 15.133 ( -7.500 0.281 0.202) 7.508 15.268 ( 0.998 1.586 -5.650) 5.953 15.649 ( -2.827 11.770 13.540) 18.162 15.858 ( 1.995 27.286 -0.019) 27.359 16.140 ( 4.600 11.217 4.018) 12.772 16.240 ( 2.084 17.264 2.355) 17.548 16.430 ( -2.073 2.044 -3.952) 4.909 16.462 ( 0.569 20.509 0.281) 20.519 16.656 ( 0.579 -1.320 -0.369) 1.488 16.957 ( 0.826 11.454 -0.522) 11.495 17.521 ( 0.181 -18.019 -1.631) 18.094 17.538 ( -0.553 -18.888 0.177) 18.897 17.702 ( 0.491 -13.552 -0.963) 13.595 17.880 ( 1.889 0.791 -2.925) 3.570 17.978 ( 3.358 -6.207 -6.475) 9.577 18.192 ( -5.119 -3.560 12.489) 13.959 18.445 ( 5.253 1.280 1.117) 5.521 18.788 ( -1.027 -7.020 -1.455) 7.242 19.563 ( 4.281 3.414 -4.918) 7.360 19.936 ( -0.254 -11.385 9.889) 15.083 20.418 ( -3.459 -13.153 -8.663) 16.125 20.621 ( -3.765 -3.872 -2.611) 5.999 21.047 ( 4.021 1.174 1.117) 4.336 21.139 ( -5.924 1.663 -1.126) 6.255 21.608 ( 2.549 1.347 3.033) 4.184 21.689 ( 2.238 -3.912 1.033) 4.624 21.824 ( -0.201 0.083 -0.035) 0.220 22.034 ( -2.035 -0.196 -1.655) 2.630 ======================= Grid point 30 (20/129) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 9.869 0.000) 9.869 2.495 ( -0.000 -8.463 -0.000) 8.463 2.525 ( -0.000 -12.123 -0.000) 12.123 2.957 ( -0.000 -20.807 -0.000) 20.807 3.044 ( -0.000 -24.663 -0.000) 24.663 3.247 ( 0.000 11.760 0.000) 11.760 3.335 ( -0.000 -9.292 -0.000) 9.292 3.374 ( -0.000 -11.871 -0.000) 11.871 3.549 ( -0.000 -6.257 -0.000) 6.257 3.592 ( 0.000 0.649 0.000) 0.649 3.643 ( -0.000 -1.500 -0.000) 1.500 3.803 ( -0.000 -56.483 -0.000) 56.483 4.482 ( -0.000 -3.564 -0.000) 3.564 4.588 ( -0.000 -6.765 -0.000) 6.765 4.682 ( -0.000 -7.589 -0.000) 7.589 4.707 ( -0.000 -1.054 -0.000) 1.054 5.267 ( -0.000 -7.434 -0.000) 7.434 5.267 ( 0.000 21.968 0.000) 21.968 5.446 ( -0.000 -9.321 -0.000) 9.321 5.472 ( 0.000 14.046 0.000) 14.046 5.675 ( 0.000 15.164 0.000) 15.164 5.830 ( 0.000 24.352 0.000) 24.352 6.107 ( 0.000 9.262 0.000) 9.262 6.291 ( 0.000 13.819 0.000) 13.819 6.486 ( -0.000 -1.824 -0.000) 1.824 6.505 ( 0.000 4.157 0.000) 4.157 6.535 ( 0.000 1.768 0.000) 1.768 6.680 ( 0.000 5.323 0.000) 5.323 6.791 ( 0.000 0.055 0.000) 0.055 6.885 ( 0.000 2.936 0.000) 2.936 6.976 ( 0.000 4.686 0.000) 4.686 7.131 ( 0.000 0.270 0.000) 0.270 7.146 ( 0.000 3.956 0.000) 3.956 7.489 ( 0.000 2.364 0.000) 2.364 7.558 ( -0.000 -3.498 -0.000) 3.498 7.636 ( -0.000 -5.806 -0.000) 5.806 7.707 ( -0.000 -8.774 -0.000) 8.774 7.799 ( -0.000 -7.012 -0.000) 7.012 7.901 ( -0.000 -1.633 -0.000) 1.633 7.985 ( -0.000 -4.526 -0.000) 4.526 8.119 ( -0.000 -12.866 -0.000) 12.866 8.428 ( -0.000 -0.818 -0.000) 0.818 8.889 ( -0.000 -10.746 -0.000) 10.746 9.026 ( -0.000 -3.666 -0.000) 3.666 9.234 ( -0.000 -15.512 -0.000) 15.512 9.739 ( 0.000 6.932 0.000) 6.932 10.128 ( 0.000 5.655 0.000) 5.655 10.431 ( -0.000 -0.647 -0.000) 0.647 10.493 ( -0.000 -4.587 -0.000) 4.587 10.590 ( 0.000 0.247 0.000) 0.247 12.625 ( -0.000 -0.764 -0.000) 0.764 12.843 ( 0.000 0.557 0.000) 0.557 13.019 ( 0.000 25.238 0.000) 25.238 13.475 ( 0.000 8.154 0.000) 8.154 14.037 ( -0.000 -3.723 -0.000) 3.723 14.057 ( -0.000 -0.252 -0.000) 0.252 14.263 ( 0.000 5.416 0.000) 5.416 14.339 ( -0.000 -1.518 -0.000) 1.518 14.752 ( 0.000 5.913 0.000) 5.913 14.841 ( 0.000 9.028 0.000) 9.028 14.846 ( 0.000 1.846 0.000) 1.846 14.984 ( 0.000 12.846 0.000) 12.846 15.033 ( 0.000 10.380 0.000) 10.380 15.265 ( -0.000 -4.245 -0.000) 4.245 15.462 ( 0.000 0.277 0.000) 0.277 15.488 ( 0.000 10.158 0.000) 10.158 15.721 ( 0.000 18.681 0.000) 18.681 16.158 ( 0.000 3.465 0.000) 3.465 16.180 ( 0.000 9.963 0.000) 9.963 16.372 ( 0.000 2.716 0.000) 2.716 16.743 ( -0.000 -7.301 -0.000) 7.301 16.824 ( 0.000 4.951 0.000) 4.951 17.666 ( -0.000 -1.435 -0.000) 1.435 17.753 ( -0.000 -0.942 -0.000) 0.942 17.954 ( -0.000 -15.320 -0.000) 15.320 18.031 ( -0.000 -12.319 -0.000) 12.319 18.214 ( -0.000 -0.303 -0.000) 0.303 18.232 ( -0.000 -19.410 -0.000) 19.410 18.433 ( 0.000 1.374 0.000) 1.374 18.889 ( -0.000 -3.047 -0.000) 3.047 19.459 ( 0.000 8.644 0.000) 8.644 20.151 ( -0.000 -7.542 -0.000) 7.542 20.680 ( -0.000 -14.992 -0.000) 14.992 20.714 ( -0.000 -8.908 -0.000) 8.908 21.026 ( 0.000 2.849 0.000) 2.849 21.084 ( 0.000 0.778 0.000) 0.778 21.584 ( 0.000 2.124 0.000) 2.124 21.796 ( -0.000 -3.898 -0.000) 3.898 21.807 ( 0.000 0.268 0.000) 0.268 22.060 ( -0.000 -4.154 -0.000) 4.154 ======================= Grid point 39 (21/129) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 0.000 0.000) 0.000 2.230 ( -0.000 -0.000 -0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 -0.000) 0.000 2.527 ( -0.000 -0.000 0.000) 0.000 2.554 ( 0.000 0.000 -0.000) 0.000 3.144 ( -0.000 -0.000 0.000) 0.000 3.151 ( 0.000 0.000 -0.000) 0.000 3.415 ( 0.000 0.000 -0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.662 ( -0.000 -0.000 -0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.488 ( -0.000 -0.000 -0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 -0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 -0.000) 0.000 6.345 ( 0.000 0.000 -0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.438 ( -0.000 -0.000 -0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.613 ( -0.000 -0.000 -0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 -0.000) 0.000 6.874 ( 0.000 0.000 -0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 -0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.285 ( -0.000 -0.000 -0.000) 0.000 7.311 ( 0.000 0.000 -0.000) 0.000 7.523 ( 0.000 0.000 -0.000) 0.000 7.560 ( 0.000 0.000 -0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 -0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.487 ( -0.000 -0.000 -0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.528 ( -0.000 -0.000 -0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.869 ( -0.000 -0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.416 ( 0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.000 0.000 0.000) 0.000 12.853 ( 0.000 0.000 -0.000) 0.000 13.701 ( 0.000 0.000 0.000) 0.000 13.840 ( -0.000 -0.000 -0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 13.945 ( 0.000 0.000 -0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.308 ( 0.000 0.000 -0.000) 0.000 14.859 ( 0.000 0.000 0.000) 0.000 14.859 ( 0.000 0.000 0.000) 0.000 14.900 ( -0.000 -0.000 -0.000) 0.000 14.951 ( 0.000 0.000 0.000) 0.000 15.124 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 0.000) 0.000 15.733 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 -0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.499 ( 0.000 0.000 0.000) 0.000 16.634 ( 0.000 0.000 -0.000) 0.000 16.774 ( 0.000 0.000 0.000) 0.000 17.169 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 0.000 -0.000) 0.000 17.263 ( 0.000 0.000 0.000) 0.000 17.551 ( 0.000 0.000 0.000) 0.000 17.918 ( 0.000 0.000 -0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 18.480 ( 0.000 0.000 -0.000) 0.000 18.690 ( 0.000 0.000 -0.000) 0.000 19.618 ( 0.000 0.000 -0.000) 0.000 19.800 ( 0.000 0.000 0.000) 0.000 20.265 ( 0.000 0.000 -0.000) 0.000 20.581 ( 0.000 0.000 -0.000) 0.000 21.101 ( -0.000 -0.000 -0.000) 0.000 21.105 ( 0.000 0.000 0.000) 0.000 21.628 ( 0.000 0.000 0.000) 0.000 21.656 ( 0.000 0.000 0.000) 0.000 21.835 ( 0.000 0.000 -0.000) 0.000 22.023 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 69 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 10.302 0.000 27.860) 29.703 0.675 ( 11.743 0.000 33.670) 35.659 1.304 ( -10.156 -0.000 64.430) 65.226 2.508 ( -9.185 -0.000 -10.574) 14.006 2.537 ( 13.481 0.000 -26.533) 29.761 2.797 ( 7.912 0.000 3.662) 8.718 3.120 ( -5.362 -0.000 -9.396) 10.819 3.306 ( -1.806 -0.000 12.482) 12.612 3.507 ( 6.569 0.000 -14.876) 16.262 3.550 ( 4.763 0.000 10.677) 11.691 3.783 ( 5.241 0.000 0.131) 5.242 3.905 ( -4.429 -0.000 14.818) 15.466 4.329 ( 0.615 0.000 -1.601) 1.715 4.364 ( 10.982 0.000 8.196) 13.703 4.729 ( -8.064 -0.000 -7.868) 11.267 4.943 ( -23.301 -0.000 -6.158) 24.101 5.409 ( 9.580 0.000 -16.634) 19.196 5.514 ( -26.331 -0.000 -0.308) 26.333 5.754 ( -10.938 -0.000 0.375) 10.945 5.818 ( -22.059 -0.000 -7.288) 23.232 5.858 ( -2.031 -0.000 -1.170) 2.344 6.025 ( -5.114 -0.000 -2.461) 5.675 6.232 ( 5.020 0.000 1.051) 5.129 6.323 ( 44.653 0.000 21.389) 49.512 6.414 ( -6.653 -0.000 1.254) 6.770 6.638 ( 16.824 0.000 10.604) 19.888 6.711 ( 11.794 0.000 8.360) 14.457 6.748 ( 1.032 0.000 2.037) 2.284 6.798 ( 5.833 0.000 0.802) 5.888 6.923 ( -1.146 -0.000 -5.045) 5.173 7.088 ( -4.468 -0.000 3.092) 5.433 7.167 ( 1.714 0.000 1.246) 2.119 7.251 ( 0.277 0.000 8.759) 8.763 7.343 ( 1.200 0.000 3.216) 3.432 7.475 ( 0.913 0.000 6.448) 6.512 7.796 ( 2.753 0.000 2.001) 3.404 8.038 ( -20.527 -0.000 -4.665) 21.050 8.267 ( -29.529 -0.000 -8.212) 30.649 8.350 ( -9.540 -0.000 -6.597) 11.599 8.460 ( -11.289 -0.000 -4.784) 12.261 8.535 ( 16.195 0.000 3.325) 16.533 8.714 ( 17.322 0.000 2.017) 17.439 8.764 ( -14.466 -0.000 -8.609) 16.834 8.851 ( -21.086 -0.000 -7.192) 22.279 8.948 ( -78.164 -0.000 -2.713) 78.211 9.265 ( -18.440 -0.000 -11.267) 21.609 9.697 ( -3.826 -0.000 -4.132) 5.631 9.741 ( 15.792 0.000 12.206) 19.959 10.445 ( 4.151 0.000 -3.812) 5.635 10.585 ( -1.667 -0.000 -1.928) 2.549 12.208 ( 18.820 0.000 -2.218) 18.950 12.787 ( 2.484 0.000 1.997) 3.187 13.312 ( 62.210 0.000 -0.832) 62.215 13.634 ( 0.037 0.000 -0.169) 0.173 13.745 ( 4.843 0.000 2.932) 5.662 14.313 ( 6.705 0.000 -4.875) 8.290 14.355 ( 1.786 0.000 0.522) 1.861 14.535 ( 42.062 0.000 -5.515) 42.422 14.708 ( 9.712 0.000 11.366) 14.950 14.804 ( -22.400 -0.000 -16.832) 28.019 14.898 ( 15.417 0.000 7.743) 17.252 15.001 ( 1.831 0.000 15.714) 15.820 15.344 ( 3.392 0.000 -2.535) 4.235 15.439 ( 21.963 0.000 14.519) 26.329 15.563 ( -2.157 -0.000 6.744) 7.081 15.666 ( -0.186 -0.000 1.661) 1.672 16.092 ( -3.122 -0.000 -0.769) 3.215 16.317 ( 0.281 0.000 -1.323) 1.353 16.342 ( -2.104 -0.000 -0.897) 2.287 16.684 ( 0.374 0.000 -11.329) 11.336 16.938 ( 6.432 0.000 -8.004) 10.268 17.066 ( 0.299 0.000 7.063) 7.070 17.185 ( 0.273 0.000 -0.039) 0.275 17.253 ( -0.440 -0.000 -0.041) 0.442 17.560 ( -12.958 -0.000 8.635) 15.571 17.594 ( -0.016 -0.000 -0.072) 0.074 17.872 ( 0.178 0.000 0.104) 0.206 17.931 ( 8.993 0.000 0.312) 8.998 18.293 ( 9.481 0.000 -26.918) 28.538 18.584 ( 3.705 0.000 -17.838) 18.219 19.159 ( -6.130 -0.000 15.960) 17.097 20.092 ( 4.509 0.000 4.111) 6.101 20.884 ( -9.396 -0.000 -0.905) 9.440 21.000 ( -12.753 -0.000 -0.502) 12.763 21.113 ( -26.479 -0.000 0.633) 26.486 21.247 ( 6.861 0.000 -4.430) 8.167 21.448 ( -2.212 -0.000 3.974) 4.548 21.654 ( -3.514 -0.000 0.572) 3.560 21.737 ( 4.380 0.000 4.993) 6.642 22.197 ( -3.073 -0.000 0.544) 3.121 ======================= Grid point 70 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -11.901 -15.405 27.201) 33.449 1.313 ( 5.312 -31.417 31.686) 44.936 1.853 ( 38.655 -46.166 30.895) 67.676 2.619 ( 12.898 1.281 -26.634) 29.620 2.701 ( -3.932 -26.246 -9.045) 28.038 3.023 ( 2.741 -15.828 1.048) 16.098 3.147 ( -4.764 -9.250 -6.856) 12.460 3.440 ( 1.475 -9.119 8.118) 12.298 3.485 ( -0.098 -0.505 -0.967) 1.095 3.603 ( -0.503 -1.584 9.803) 9.943 3.743 ( -5.037 2.884 13.854) 15.021 3.920 ( 3.056 -1.914 3.692) 5.161 4.341 ( 0.740 -1.004 -12.920) 12.980 4.458 ( 16.968 3.248 12.102) 21.094 4.663 ( -12.791 -1.745 -18.420) 22.494 4.753 ( -14.732 0.249 3.775) 15.210 5.155 ( -23.144 9.355 -0.299) 24.965 5.474 ( -6.012 8.269 -2.966) 10.645 5.553 ( -5.658 8.229 -3.511) 10.586 5.652 ( -2.550 16.880 -0.912) 17.096 5.700 ( -8.139 -6.060 -10.224) 14.404 5.869 ( -6.379 12.297 -6.981) 15.513 6.138 ( -4.658 8.105 -0.192) 9.350 6.350 ( -3.874 3.070 3.012) 5.789 6.637 ( -2.191 3.522 4.079) 5.818 6.706 ( 18.907 0.026 15.447) 24.415 6.782 ( 0.625 -1.201 -0.027) 1.354 6.877 ( 15.141 5.249 6.064) 17.134 6.898 ( 29.374 0.535 12.137) 31.787 6.975 ( 14.191 -7.845 3.652) 16.621 7.115 ( 3.979 -0.108 -0.408) 4.002 7.187 ( 1.985 -0.506 5.512) 5.880 7.212 ( 1.292 1.012 4.417) 4.712 7.423 ( 1.014 -2.946 8.654) 9.198 7.465 ( -1.265 -0.749 3.122) 3.451 7.793 ( -16.135 0.710 4.065) 16.654 7.837 ( -5.115 0.942 4.948) 7.179 7.997 ( -25.554 -11.463 -12.235) 30.563 8.177 ( -18.670 2.880 -8.998) 20.925 8.411 ( -1.006 0.104 -7.480) 7.548 8.689 ( -38.853 -16.838 -11.230) 43.808 8.725 ( -6.067 -3.226 -5.283) 8.668 8.829 ( 7.052 -3.030 -1.622) 7.845 8.876 ( -0.217 -7.540 -0.044) 7.543 8.963 ( 4.717 -5.155 -1.204) 7.091 9.231 ( -29.582 -17.535 -14.450) 37.301 9.730 ( 9.007 -0.978 -4.712) 10.212 9.935 ( 5.444 -8.801 4.093) 11.129 10.495 ( 4.992 -0.880 -3.451) 6.133 10.545 ( -2.979 1.826 -2.895) 4.538 12.310 ( 7.883 -0.145 -5.255) 9.475 12.813 ( 3.142 -0.331 1.775) 3.624 13.290 ( 26.046 24.059 6.012) 35.963 13.690 ( -3.991 2.429 -7.640) 8.955 13.821 ( 8.129 -0.847 4.151) 9.166 14.287 ( -4.057 1.898 -5.395) 7.011 14.381 ( 1.820 -0.418 0.413) 1.912 14.547 ( -13.895 2.714 -5.045) 15.030 14.752 ( -0.789 3.204 6.511) 7.299 14.776 ( -6.300 -5.859 -1.592) 8.749 14.854 ( -2.762 3.175 11.742) 12.473 15.139 ( 59.401 32.445 -4.442) 67.830 15.347 ( 3.714 1.781 -3.188) 5.208 15.453 ( -4.518 9.207 1.928) 10.435 15.639 ( 12.180 3.206 8.546) 15.221 15.706 ( 15.979 -3.816 10.773) 19.645 16.011 ( -11.360 1.846 -2.251) 11.727 16.178 ( -1.741 17.725 -2.404) 17.972 16.310 ( -0.822 28.279 -1.312) 28.321 16.339 ( 2.373 1.051 -1.534) 3.015 16.541 ( -1.531 9.690 2.987) 10.255 16.808 ( 2.479 7.948 2.673) 8.744 17.375 ( -6.990 3.424 0.150) 7.785 17.541 ( -0.916 -16.348 -2.517) 16.566 17.643 ( -1.819 -9.040 2.361) 9.519 17.788 ( 0.979 -10.088 1.174) 10.203 17.860 ( 0.172 -22.991 1.092) 23.018 18.006 ( 9.792 -1.130 4.473) 10.825 18.376 ( 5.065 -2.226 -24.595) 25.210 18.645 ( 4.659 -2.590 -14.776) 15.708 19.143 ( -2.597 -1.716 14.955) 15.276 20.121 ( 4.381 1.101 5.146) 6.847 20.809 ( -9.254 -1.237 -0.086) 9.337 21.038 ( -8.004 -7.326 -2.410) 11.115 21.172 ( -24.826 -19.804 -6.771) 32.472 21.354 ( 5.901 -4.467 -2.526) 7.820 21.435 ( -0.529 0.867 4.370) 4.487 21.620 ( -1.173 0.728 1.277) 1.880 21.765 ( 3.855 0.545 4.629) 6.049 22.164 ( -2.582 -0.429 -1.824) 3.190 ======================= Grid point 71 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -1.161 -16.463 14.052) 21.676 1.991 ( 20.167 -28.600 23.789) 42.315 2.683 ( 12.363 1.027 -26.432) 29.198 3.116 ( 20.749 -47.601 11.186) 53.118 3.249 ( -4.425 -18.952 -3.137) 19.713 3.263 ( -4.720 -10.262 0.534) 11.308 3.401 ( -0.313 -21.825 4.043) 22.199 3.506 ( -0.892 -23.824 0.860) 23.856 3.597 ( 0.430 1.709 11.338) 11.474 3.657 ( -4.594 1.513 3.881) 6.201 3.824 ( 6.065 -20.212 8.594) 22.786 4.010 ( -2.868 -7.731 9.376) 12.486 4.357 ( -0.992 0.834 -14.099) 14.158 4.488 ( -23.577 -7.411 -18.671) 30.974 4.582 ( 14.617 5.825 15.940) 22.398 4.709 ( -2.720 1.919 7.501) 8.206 4.823 ( -7.496 4.866 -4.425) 9.973 5.129 ( -1.888 20.106 -1.008) 20.219 5.261 ( 1.316 22.895 -0.413) 22.936 5.395 ( -6.200 5.401 -1.600) 8.377 5.484 ( -1.645 16.698 -2.194) 16.921 5.840 ( -1.358 -4.944 -12.432) 13.448 5.892 ( -3.949 13.103 3.708) 14.178 6.238 ( -6.176 3.416 2.946) 7.648 6.580 ( -2.187 1.901 0.038) 2.898 6.696 ( -2.282 3.431 3.307) 5.283 6.799 ( 0.018 2.142 1.008) 2.367 6.831 ( 3.085 6.151 6.028) 9.148 6.941 ( 0.879 6.476 -0.604) 6.563 7.080 ( 0.615 8.666 5.804) 10.449 7.214 ( 17.003 0.370 6.764) 18.303 7.296 ( 11.253 2.097 5.195) 12.570 7.318 ( 6.785 2.877 3.288) 8.070 7.415 ( 0.861 2.218 -0.840) 2.523 7.549 ( 9.960 -5.459 5.391) 12.572 7.653 ( 4.894 -1.337 7.335) 8.918 7.802 ( -7.195 1.300 1.304) 7.427 8.035 ( 3.529 -1.794 1.339) 4.179 8.043 ( -25.142 -12.508 -13.769) 31.275 8.379 ( -5.354 0.650 -7.040) 8.869 8.588 ( -21.948 -3.809 -10.913) 24.806 8.638 ( -16.692 -0.551 -4.513) 17.300 8.886 ( -10.085 -6.399 -1.405) 12.026 8.983 ( 10.048 4.496 -0.195) 11.010 9.095 ( -14.416 -13.103 -6.905) 20.668 9.376 ( -1.345 -10.857 -0.747) 10.966 9.860 ( 14.656 -1.477 -3.609) 15.166 10.157 ( 0.696 -12.040 -1.256) 12.125 10.465 ( -4.357 2.765 -3.959) 6.504 10.554 ( 3.754 -0.889 -4.087) 5.620 12.373 ( 5.710 -0.685 -4.283) 7.170 12.836 ( 4.295 2.751 1.340) 5.274 13.039 ( 13.569 20.085 5.112) 24.772 13.503 ( -7.114 8.888 -4.958) 12.417 13.911 ( 10.891 0.933 5.523) 12.247 14.222 ( -5.038 0.446 -8.247) 9.674 14.315 ( -7.725 6.062 0.484) 9.831 14.441 ( 0.824 2.590 -1.645) 3.177 14.587 ( -5.960 6.850 12.155) 15.172 14.724 ( 12.218 13.893 6.810) 19.715 14.831 ( -3.162 -0.720 11.322) 11.777 15.046 ( 4.778 8.202 -3.305) 10.051 15.176 ( 4.182 7.290 1.067) 8.472 15.325 ( 7.234 12.556 -2.604) 14.723 15.561 ( -4.664 19.270 4.019) 20.229 15.753 ( 6.923 1.512 5.419) 8.921 15.824 ( -7.393 1.690 2.627) 8.026 15.891 ( -1.954 -0.848 8.231) 8.502 16.139 ( 6.001 5.199 -9.640) 12.488 16.343 ( 2.215 0.801 -1.425) 2.753 16.519 ( 0.514 -2.240 3.262) 3.990 16.817 ( -1.748 -8.717 -3.252) 9.466 17.331 ( 0.851 -0.319 -10.069) 10.110 17.587 ( -4.317 0.211 0.671) 4.374 17.864 ( 2.679 -8.728 -2.404) 9.441 18.024 ( 7.996 -5.563 3.182) 10.247 18.116 ( -0.729 -15.414 -0.747) 15.449 18.308 ( 9.792 -7.248 -9.330) 15.345 18.471 ( -4.548 -12.334 -7.609) 15.189 18.723 ( 2.622 -1.972 -11.605) 12.060 19.180 ( 0.952 -2.031 10.918) 11.146 20.134 ( 4.362 1.599 4.368) 6.377 20.785 ( -6.207 -3.701 3.297) 7.943 21.058 ( 0.405 0.584 0.790) 1.062 21.235 ( -19.017 -7.660 -8.691) 22.268 21.392 ( 2.791 4.747 4.741) 7.267 21.455 ( -7.572 -5.614 -0.486) 9.439 21.652 ( 4.885 -1.802 4.862) 7.124 21.815 ( 5.467 -2.801 1.808) 6.404 22.166 ( -4.341 -2.535 -4.452) 6.715 ======================= Grid point 72 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 7.738 -14.602 -1.782) 16.621 2.672 ( 17.293 -17.610 11.063) 27.047 2.774 ( 12.104 -4.252 -20.491) 24.176 3.037 ( -10.413 5.303 13.214) 17.640 3.455 ( -1.319 -0.332 2.733) 3.053 3.569 ( -2.449 2.122 3.953) 5.112 3.622 ( -4.866 -12.462 3.474) 13.822 3.720 ( -16.032 -1.412 -1.880) 16.204 3.921 ( -9.577 -27.923 -3.577) 29.736 4.070 ( -17.616 -11.388 1.340) 21.019 4.227 ( -4.751 -6.963 6.799) 10.830 4.262 ( 16.681 -26.769 8.191) 32.588 4.329 ( 9.019 -23.137 8.427) 26.223 4.511 ( -4.000 -1.613 4.398) 6.159 4.713 ( 3.190 -1.028 -3.896) 5.139 4.732 ( 0.165 1.821 -3.584) 4.023 4.774 ( 24.283 -1.219 13.185) 27.658 4.803 ( 6.844 15.267 -5.267) 17.541 4.952 ( 7.313 5.056 -4.249) 9.854 5.107 ( 1.908 13.488 -3.343) 14.027 5.397 ( -0.642 -1.676 3.188) 3.658 5.612 ( -5.826 7.774 7.262) 12.129 5.803 ( -7.145 7.943 -6.919) 12.729 6.161 ( -5.467 -1.413 2.562) 6.201 6.469 ( -4.218 7.424 0.157) 8.540 6.594 ( -0.649 8.061 -3.377) 8.764 6.683 ( 0.764 3.848 -1.557) 4.221 6.774 ( -3.767 11.568 -0.117) 12.166 6.800 ( -3.110 12.964 4.881) 14.197 6.857 ( -4.108 7.421 1.714) 8.654 6.935 ( 0.389 9.701 2.401) 10.001 7.291 ( -2.947 0.734 -0.617) 3.099 7.398 ( 6.749 -1.049 4.826) 8.363 7.549 ( 16.035 -1.562 -1.597) 16.190 7.591 ( -1.510 2.754 -0.952) 3.282 7.769 ( 5.430 -4.622 -0.034) 7.131 7.888 ( -2.959 -2.725 1.918) 4.457 8.012 ( -13.188 -9.265 -8.845) 18.384 8.216 ( 5.718 -2.131 1.803) 6.363 8.301 ( -6.295 -2.947 -4.445) 8.251 8.491 ( -8.043 -0.344 -0.054) 8.051 8.509 ( -4.377 1.254 0.277) 4.561 8.912 ( -10.754 -6.302 -0.925) 12.499 8.966 ( 9.418 5.963 -1.295) 11.222 9.148 ( -14.959 -7.839 -5.720) 17.831 9.528 ( 3.571 -3.182 2.870) 5.578 10.021 ( 13.087 -2.695 -3.544) 13.823 10.366 ( -5.293 -0.955 -2.335) 5.863 10.376 ( 2.393 -5.404 -2.417) 6.386 10.584 ( 1.324 0.014 -5.625) 5.779 12.430 ( 5.599 -0.012 -2.921) 6.315 12.684 ( 2.952 13.961 0.663) 14.286 12.912 ( -1.938 0.699 -1.312) 2.443 13.316 ( -2.201 5.656 -1.592) 6.275 13.969 ( 6.358 2.735 1.668) 7.120 14.056 ( 0.009 10.069 -0.944) 10.113 14.226 ( -1.385 -0.109 -1.935) 2.382 14.363 ( -4.066 2.892 8.439) 9.804 14.492 ( 3.029 2.732 5.489) 6.839 14.617 ( 2.876 4.990 2.562) 6.304 14.782 ( 1.050 8.893 4.616) 10.075 14.881 ( -6.641 1.386 11.410) 13.275 14.959 ( 2.927 15.074 2.124) 15.501 15.321 ( 4.329 -5.101 -5.274) 8.519 15.407 ( 1.948 1.341 -0.251) 2.378 15.670 ( -14.864 0.081 -7.088) 16.467 15.820 ( 0.983 -2.441 7.421) 7.874 15.932 ( 2.697 -0.295 11.644) 11.956 16.082 ( 9.739 8.418 -5.481) 13.991 16.344 ( -0.038 0.151 -0.650) 0.669 16.555 ( -3.158 -2.238 4.815) 6.178 17.014 ( -3.778 -12.131 -8.721) 15.411 17.372 ( 2.055 -2.520 -10.030) 10.544 17.564 ( 0.373 -0.548 -7.604) 7.633 17.898 ( 8.157 6.651 -0.787) 10.554 18.281 ( 2.563 -3.753 -5.772) 7.346 18.309 ( 0.558 -10.063 0.384) 10.085 18.425 ( -0.200 -10.442 -9.891) 14.384 18.696 ( 2.169 -7.309 2.521) 8.030 18.732 ( -1.958 0.459 -7.080) 7.360 19.214 ( 0.337 -0.157 7.517) 7.526 20.148 ( 3.228 0.400 2.113) 3.879 20.838 ( -1.871 -3.866 3.801) 5.735 21.020 ( -0.507 3.054 2.625) 4.059 21.187 ( -7.840 -2.552 -5.056) 9.672 21.333 ( 4.166 4.763 3.324) 7.148 21.452 ( -11.684 -3.914 -0.830) 12.349 21.699 ( 3.419 0.689 8.959) 9.614 21.971 ( 6.699 -6.132 -0.847) 9.121 22.160 ( -5.047 -1.272 -4.444) 6.844 ======================= Grid point 73 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 10.562 -10.975 -13.859) 20.593 2.564 ( -14.555 15.754 13.600) 25.397 2.863 ( 10.950 -0.846 -23.047) 25.530 3.239 ( -28.476 14.885 7.185) 32.925 3.392 ( 9.120 -5.617 4.627) 11.668 3.499 ( 4.211 -5.941 8.887) 11.489 3.545 ( 10.155 -5.511 8.888) 14.577 3.801 ( -11.003 -10.496 5.966) 16.335 4.066 ( -9.191 3.121 -5.112) 10.971 4.148 ( -12.705 -4.063 -4.183) 13.979 4.413 ( 9.418 21.353 -2.888) 23.515 4.473 ( 1.210 8.461 2.677) 8.956 4.494 ( -2.575 -19.434 8.229) 21.261 4.561 ( 3.128 -11.194 3.783) 12.223 4.672 ( 4.598 -0.260 5.592) 7.244 4.716 ( 0.429 -1.340 2.320) 2.713 4.780 ( 11.952 1.175 10.281) 15.809 4.933 ( 2.673 4.019 -2.390) 5.386 5.037 ( 8.239 -0.412 -3.350) 8.904 5.187 ( -3.256 15.680 -0.093) 16.014 5.316 ( 0.507 1.259 -0.051) 1.358 5.462 ( -0.686 -4.506 8.383) 9.542 5.930 ( 2.281 -24.889 3.604) 25.251 6.176 ( 1.738 0.376 1.783) 2.519 6.273 ( 2.827 7.548 3.918) 8.962 6.379 ( 4.690 4.990 3.392) 7.642 6.435 ( 0.818 6.411 -9.495) 11.485 6.660 ( -1.447 -0.105 -2.627) 3.001 6.708 ( -4.322 -0.346 0.160) 4.339 6.819 ( -3.188 -1.607 0.307) 3.583 6.904 ( 0.587 -2.375 5.626) 6.135 7.199 ( -10.149 0.901 -4.366) 11.085 7.494 ( 9.722 -1.092 5.030) 11.000 7.543 ( 4.779 4.491 2.302) 6.950 7.649 ( -1.600 0.468 -6.227) 6.446 7.740 ( -24.129 -0.695 -10.316) 26.251 7.844 ( -3.551 1.364 -9.365) 10.108 8.015 ( -8.892 -0.239 -6.556) 11.050 8.140 ( -2.767 1.662 -4.744) 5.738 8.371 ( 5.111 0.548 0.407) 5.156 8.566 ( 8.696 -8.337 9.584) 15.394 8.592 ( 16.665 0.594 12.409) 20.786 8.900 ( 12.261 8.909 -0.608) 15.168 8.969 ( -4.894 -5.307 -1.333) 7.341 9.162 ( -13.058 -7.356 -4.214) 15.569 9.550 ( 0.239 2.619 1.427) 2.992 10.140 ( 1.555 -0.623 -4.177) 4.501 10.302 ( 0.180 -0.560 -2.425) 2.495 10.508 ( 6.210 -1.067 1.366) 6.447 10.570 ( -1.329 1.119 -7.251) 7.456 12.435 ( -6.272 0.470 -4.783) 7.901 12.529 ( 1.281 2.639 -0.991) 3.097 12.884 ( -4.098 -0.307 -2.998) 5.087 13.274 ( 3.130 -0.949 0.310) 3.285 13.824 ( -9.253 2.631 -5.910) 11.290 14.111 ( 15.078 -1.564 8.024) 17.152 14.216 ( 0.545 0.512 3.379) 3.460 14.322 ( -1.291 -0.307 6.325) 6.463 14.516 ( 4.631 -1.199 1.585) 5.039 14.582 ( 1.948 1.839 -1.226) 2.946 14.619 ( 0.081 4.616 1.173) 4.764 14.756 ( -1.031 3.581 8.025) 8.848 14.948 ( -8.443 -7.321 13.505) 17.529 15.342 ( -1.419 0.430 -2.570) 2.967 15.427 ( -7.262 -0.992 -5.597) 9.223 15.654 ( 0.313 -5.458 -4.662) 7.185 15.855 ( -0.303 -0.745 6.593) 6.642 15.963 ( 1.231 -1.298 8.045) 8.241 15.990 ( 11.555 10.998 -1.620) 16.034 16.344 ( -2.294 -1.527 -0.643) 2.830 16.549 ( -5.853 -1.310 3.903) 7.156 17.128 ( 1.705 -0.625 -9.774) 9.941 17.424 ( -6.773 -5.638 -2.240) 9.093 17.623 ( 7.307 -1.453 -15.948) 17.602 17.802 ( 5.057 8.632 -7.010) 12.215 18.270 ( -3.737 1.051 -4.138) 5.674 18.366 ( 0.186 1.776 -3.735) 4.140 18.555 ( 0.133 8.409 -6.129) 10.407 18.728 ( 0.048 3.137 -1.924) 3.680 18.828 ( 0.953 -15.364 2.129) 15.540 19.203 ( -1.512 0.838 7.172) 7.377 20.159 ( 0.149 1.523 1.363) 2.049 20.788 ( -1.182 4.828 -2.351) 5.499 21.051 ( 2.559 -3.265 6.487) 7.700 21.225 ( -0.586 -5.375 1.278) 5.556 21.287 ( 6.805 5.342 0.718) 8.681 21.423 ( -10.374 -3.972 -1.588) 11.221 21.712 ( 2.817 1.017 9.809) 10.256 22.042 ( -4.708 1.513 -4.493) 6.682 22.176 ( 4.586 -2.124 -0.495) 5.078 ======================= Grid point 74 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 6.159 0.208 -22.356) 23.190 2.113 ( -10.206 15.870 12.488) 22.627 2.657 ( -35.009 13.617 25.708) 45.519 3.009 ( 12.143 -2.547 -17.974) 21.841 3.416 ( 7.374 3.402 -1.804) 8.319 3.484 ( 6.808 4.166 -2.052) 8.241 3.796 ( -1.053 12.210 -1.913) 12.404 3.836 ( -2.256 9.797 -0.153) 10.055 3.905 ( 0.381 16.781 1.611) 16.863 3.998 ( 9.807 10.711 5.259) 15.445 4.133 ( -8.581 2.912 16.564) 18.881 4.267 ( -14.675 39.476 -5.395) 42.460 4.331 ( -5.389 16.396 4.395) 17.809 4.415 ( 2.648 5.416 3.414) 6.928 4.595 ( 2.112 4.507 8.094) 9.502 4.837 ( 0.824 -16.564 2.605) 16.788 4.899 ( 1.573 -7.823 -4.678) 9.250 4.970 ( -1.498 -7.383 -0.978) 7.597 5.030 ( -6.458 -23.349 0.289) 24.228 5.294 ( -3.091 -16.524 -1.717) 16.898 5.450 ( 15.215 -0.686 7.380) 16.924 5.523 ( 4.806 0.197 14.961) 15.716 6.178 ( 10.616 3.626 5.503) 12.496 6.183 ( 16.838 -1.492 8.011) 18.706 6.353 ( 4.277 2.059 -7.685) 9.033 6.415 ( -1.285 -10.124 -1.002) 10.254 6.640 ( -0.208 -4.783 -1.190) 4.933 6.661 ( -4.111 -2.583 -3.336) 5.891 6.833 ( -0.626 -11.403 -0.356) 11.426 6.894 ( -1.875 -18.268 2.042) 18.478 6.996 ( 0.940 -8.950 4.085) 9.883 7.118 ( -6.855 -1.166 -3.022) 7.582 7.410 ( -22.096 6.827 -12.528) 26.302 7.487 ( -8.458 4.402 0.427) 9.544 7.504 ( -10.983 1.175 -4.812) 12.048 7.639 ( 6.474 -0.572 1.662) 6.708 7.724 ( -6.113 5.649 -6.615) 10.632 7.982 ( 2.344 -1.063 -1.071) 2.788 8.158 ( 6.513 -0.906 -6.647) 9.350 8.445 ( 16.749 2.528 0.619) 16.950 8.654 ( 7.158 3.944 7.779) 11.283 8.795 ( 15.459 5.421 -1.192) 16.426 8.884 ( 12.516 -4.313 10.221) 16.725 9.030 ( 2.686 -0.763 1.624) 3.231 9.200 ( -14.284 -9.784 -5.982) 18.318 9.434 ( -3.283 8.452 -0.266) 9.071 10.062 ( -10.954 1.831 -3.740) 11.718 10.388 ( 8.683 -1.847 -1.216) 8.960 10.521 ( -2.845 1.685 -7.841) 8.509 10.537 ( 12.445 5.720 3.549) 14.148 12.363 ( -22.775 -7.438 -11.472) 26.564 12.531 ( 5.061 1.768 2.095) 5.756 12.854 ( -5.470 -1.288 -3.826) 6.798 13.402 ( 6.281 -7.874 0.512) 10.086 13.766 ( -7.689 -3.885 -3.787) 9.410 14.215 ( 2.434 -0.715 3.905) 4.657 14.316 ( 1.253 -2.895 3.423) 4.655 14.346 ( 10.299 -1.766 7.864) 13.078 14.482 ( 4.990 4.599 -1.256) 6.902 14.585 ( -1.765 -2.044 3.961) 4.794 14.740 ( 0.370 -12.110 1.671) 12.230 14.806 ( 0.828 -11.100 3.955) 11.813 15.023 ( -10.870 -9.154 13.225) 19.413 15.304 ( -10.118 -1.170 -8.089) 13.007 15.391 ( -3.485 -2.944 -3.988) 6.059 15.706 ( 3.432 4.921 7.709) 9.768 15.851 ( 1.960 3.688 4.844) 6.396 15.913 ( 9.981 3.857 0.851) 10.734 16.028 ( 0.029 -5.094 0.511) 5.120 16.362 ( -3.767 -3.135 -0.619) 4.940 16.516 ( -5.080 -0.440 1.610) 5.347 17.045 ( 4.663 11.841 -6.644) 14.356 17.480 ( -7.870 -6.710 0.568) 10.358 17.615 ( -1.841 3.278 -5.530) 6.687 17.776 ( 9.569 0.429 -24.986) 26.759 18.178 ( -12.110 1.658 6.880) 14.026 18.301 ( 0.853 12.398 -4.279) 13.144 18.327 ( 6.800 8.902 -9.294) 14.555 18.536 ( 1.546 16.097 -5.697) 17.145 19.105 ( -8.089 -10.315 -2.005) 13.261 19.149 ( 1.250 2.673 10.738) 11.136 20.067 ( -0.673 6.467 0.292) 6.509 20.767 ( 4.511 -1.096 1.672) 4.935 21.088 ( -3.324 -0.775 2.007) 3.960 21.240 ( 6.977 5.155 -1.819) 8.863 21.371 ( 6.931 -4.719 4.815) 9.670 21.441 ( -5.723 -6.010 -0.951) 8.354 21.716 ( 2.433 1.456 9.384) 9.803 21.914 ( -6.497 5.517 -3.300) 9.140 22.234 ( 4.885 1.108 -1.210) 5.154 ======================= Grid point 75 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -7.355 28.364 4.838) 29.698 1.966 ( -29.412 5.564 23.862) 38.281 2.304 ( 1.269 1.262 -0.731) 1.933 2.927 ( -13.013 64.685 1.803) 66.006 3.170 ( 12.018 -2.042 -14.876) 19.233 3.307 ( -0.286 24.801 -5.764) 25.464 3.348 ( 2.660 11.787 -5.210) 13.159 3.489 ( 2.439 28.798 -1.105) 28.923 3.550 ( 11.006 4.670 -1.467) 12.045 3.661 ( 4.817 9.665 0.101) 10.799 3.861 ( -9.443 17.423 8.924) 21.734 3.939 ( -10.774 -2.419 10.375) 15.151 4.211 ( -6.944 -5.801 13.679) 16.401 4.403 ( -2.414 1.637 -0.513) 2.961 4.837 ( 7.768 -1.583 -2.289) 8.252 4.997 ( 15.415 -14.695 2.218) 21.412 5.146 ( -4.849 -11.180 -2.996) 12.549 5.244 ( 0.986 -21.976 0.068) 21.998 5.298 ( -17.410 -6.492 7.173) 19.917 5.496 ( -6.150 -21.962 -2.445) 22.937 5.654 ( -5.791 -13.467 -0.588) 14.671 5.691 ( 39.942 4.470 18.510) 44.249 6.244 ( -5.017 1.125 -6.898) 8.604 6.261 ( 17.546 2.908 8.630) 19.768 6.362 ( 6.476 3.417 2.405) 7.707 6.534 ( -8.242 -6.502 -2.938) 10.901 6.663 ( -4.302 -2.060 0.670) 4.817 6.694 ( -4.637 -4.718 -3.293) 7.390 6.907 ( -3.828 -3.110 -2.281) 5.434 7.043 ( -9.192 1.695 -2.385) 9.646 7.065 ( -8.369 -3.124 -4.837) 10.158 7.091 ( -1.726 -0.956 0.424) 2.018 7.258 ( -12.784 0.971 2.600) 13.082 7.422 ( -0.574 1.734 -1.127) 2.146 7.508 ( -0.562 1.608 2.691) 3.185 7.620 ( 0.079 -18.689 2.930) 18.918 7.719 ( 5.677 0.067 -0.930) 5.753 8.101 ( 12.791 -3.250 -0.570) 13.210 8.232 ( 7.374 -0.420 -6.743) 10.001 8.516 ( 26.583 12.180 5.147) 29.690 8.613 ( -9.310 -2.650 -2.560) 10.012 8.758 ( 15.716 9.053 -6.142) 19.149 8.992 ( -3.270 5.056 -2.478) 6.511 9.108 ( 0.407 1.939 1.578) 2.533 9.196 ( 6.871 3.485 7.722) 10.908 9.301 ( -11.162 -9.517 -4.118) 15.235 9.919 ( -12.953 1.854 -3.132) 13.454 10.462 ( -1.641 1.556 -6.648) 7.022 10.482 ( 15.623 3.667 -1.178) 16.090 10.553 ( 17.403 6.215 2.973) 18.717 12.279 ( -34.084 -9.203 -18.335) 39.781 12.545 ( 5.905 1.460 4.331) 7.467 12.843 ( -6.379 -3.104 -1.430) 7.237 13.628 ( 4.927 -9.258 -3.477) 11.049 13.787 ( -4.304 -2.642 -0.443) 5.070 14.261 ( -3.105 5.442 -0.436) 6.280 14.275 ( 0.813 -3.167 -0.423) 3.297 14.350 ( 4.684 2.118 1.083) 5.254 14.588 ( 1.462 -3.945 4.721) 6.323 14.690 ( 8.930 -6.595 8.759) 14.141 14.959 ( -7.362 -8.764 14.136) 18.188 15.082 ( -0.987 -12.158 5.368) 13.327 15.135 ( -0.172 -11.232 -4.376) 12.056 15.213 ( -13.854 -2.152 -11.936) 18.413 15.539 ( 2.504 -9.939 1.622) 10.377 15.577 ( 4.575 8.992 11.037) 14.954 15.802 ( -1.897 -4.880 5.418) 7.535 15.992 ( 8.383 -1.580 2.440) 8.873 16.140 ( -1.299 -7.191 -4.009) 8.335 16.381 ( -5.806 -2.936 -0.117) 6.507 16.492 ( -2.498 -1.210 0.215) 2.784 16.840 ( -0.064 8.886 -2.890) 9.344 17.495 ( -7.055 -2.760 4.306) 8.714 17.617 ( -0.863 -3.871 -7.977) 8.909 17.796 ( 6.609 7.243 -14.638) 17.619 18.022 ( 2.481 15.372 -3.097) 15.876 18.031 ( -10.909 2.342 6.504) 12.915 18.176 ( 0.959 18.713 -5.581) 19.552 18.304 ( 10.520 7.660 -15.135) 19.960 18.905 ( -7.929 13.360 -7.427) 17.220 19.230 ( -4.954 -3.294 11.779) 13.196 19.999 ( 3.573 1.492 1.271) 4.076 20.862 ( 7.266 -2.394 4.152) 8.705 21.044 ( -7.586 -0.095 0.129) 7.587 21.210 ( 10.374 6.025 -4.293) 12.742 21.467 ( -2.891 -3.980 1.122) 5.046 21.554 ( 5.499 -4.285 4.383) 8.235 21.691 ( 0.549 3.867 3.221) 5.062 21.762 ( -3.272 4.711 1.395) 5.903 22.222 ( 2.286 2.911 -2.032) 4.222 ======================= Grid point 76 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -2.002 26.477 17.438) 31.767 1.493 ( -15.710 46.148 22.954) 53.883 1.604 ( -26.500 29.823 37.337) 54.642 2.413 ( 11.344 -1.908 -21.547) 24.425 2.791 ( -4.639 20.704 -7.506) 22.506 2.951 ( 3.944 21.937 1.312) 22.327 3.215 ( -1.900 5.344 -7.968) 9.781 3.377 ( 11.482 -3.286 -14.205) 18.559 3.472 ( -6.103 13.015 11.550) 18.440 3.551 ( 6.497 4.738 4.779) 9.354 3.689 ( 11.188 -0.429 -3.173) 11.637 3.934 ( -8.460 -2.918 15.577) 17.964 4.268 ( 0.691 -3.077 13.866) 14.220 4.356 ( -2.238 0.933 -2.500) 3.483 4.805 ( -3.295 2.090 -9.193) 9.987 5.129 ( -19.575 -0.634 -0.921) 19.607 5.299 ( 0.706 -5.424 -10.482) 11.823 5.517 ( 10.790 -18.972 8.415) 23.392 5.656 ( 1.424 -17.925 -0.252) 17.983 5.733 ( -14.329 -4.795 -1.069) 15.147 5.866 ( -2.131 -16.392 -1.089) 16.566 5.981 ( 23.149 0.816 3.280) 23.395 6.066 ( -7.006 1.545 -4.799) 8.631 6.253 ( 16.204 13.030 11.822) 23.919 6.435 ( 8.577 0.396 4.072) 9.503 6.556 ( -2.713 -4.624 1.164) 5.486 6.653 ( -11.287 -3.816 -0.031) 11.915 6.720 ( -4.629 -2.569 1.684) 5.556 6.836 ( -9.841 2.316 -0.797) 10.141 6.932 ( -1.147 0.553 -4.726) 4.895 7.105 ( 0.241 -1.589 1.359) 2.105 7.140 ( 2.310 -1.560 4.257) 5.088 7.199 ( 0.129 -0.525 2.808) 2.859 7.398 ( 1.200 3.853 6.428) 7.590 7.445 ( 2.284 -0.048 3.164) 3.903 7.761 ( 3.960 -0.399 0.069) 3.981 8.008 ( -1.124 -16.270 6.383) 17.514 8.215 ( 5.063 0.344 -9.097) 10.417 8.339 ( 5.644 -4.453 -0.802) 7.234 8.475 ( 20.121 10.056 4.769) 22.994 8.593 ( -13.594 -2.112 -8.443) 16.141 8.730 ( -5.194 10.105 -3.120) 11.782 8.748 ( 12.411 6.459 -7.948) 16.092 8.958 ( 0.369 6.301 -5.176) 8.163 9.263 ( -14.012 -6.353 -3.855) 15.860 9.471 ( 7.864 -6.869 7.694) 12.970 9.780 ( -10.672 1.543 -3.189) 11.244 10.391 ( -4.125 19.121 -25.332) 32.005 10.445 ( 5.140 8.665 -8.866) 13.420 10.578 ( 0.282 -0.877 -1.817) 2.037 12.101 ( -18.507 -2.068 -7.099) 19.930 12.638 ( 18.853 -2.637 9.197) 21.142 12.854 ( -2.811 -3.476 5.523) 7.106 13.740 ( 1.167 1.406 -9.312) 9.490 13.755 ( -1.848 3.230 -0.702) 3.787 14.192 ( 9.303 1.229 3.607) 10.053 14.342 ( 1.821 -1.014 0.994) 2.309 14.367 ( 7.773 1.641 -2.697) 8.389 14.653 ( -0.324 -1.918 7.827) 8.065 14.824 ( 1.887 -1.922 7.201) 7.688 14.993 ( -15.100 -4.088 4.170) 16.190 15.037 ( -15.427 -0.426 2.309) 15.605 15.197 ( 11.318 -1.539 0.083) 11.422 15.411 ( 10.817 3.065 7.927) 13.757 15.532 ( 5.695 -1.671 3.911) 7.108 15.587 ( -7.372 -7.015 5.078) 11.374 16.071 ( 4.744 -1.657 1.074) 5.138 16.207 ( -0.573 -16.008 -1.099) 16.055 16.338 ( -2.204 -26.284 -1.760) 26.435 16.368 ( -6.344 -1.768 -0.344) 6.594 16.573 ( -2.323 -13.287 0.299) 13.492 16.791 ( -1.342 -4.649 0.924) 4.926 17.500 ( -3.788 2.318 1.993) 4.868 17.574 ( -3.031 8.753 0.538) 9.278 17.642 ( -0.591 12.349 1.945) 12.515 17.739 ( 3.117 6.839 -4.396) 8.707 17.854 ( 2.534 18.771 -2.559) 19.113 17.951 ( -5.615 0.610 5.260) 7.718 18.258 ( 10.403 5.401 -22.519) 25.387 18.629 ( -1.575 7.224 -18.444) 19.871 19.210 ( -6.040 -0.033 14.786) 15.972 20.040 ( 4.849 -0.819 2.696) 5.609 20.950 ( 1.308 -0.097 2.846) 3.134 20.982 ( -2.573 -0.562 0.018) 2.634 21.199 ( 10.044 4.164 -5.287) 12.090 21.474 ( -3.657 0.052 2.498) 4.429 21.550 ( -4.995 10.888 -8.056) 14.436 21.658 ( 2.177 -1.756 5.450) 6.126 21.699 ( 0.810 0.935 0.817) 1.482 22.195 ( -0.980 -0.309 0.281) 1.065 ======================= Grid point 78 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 4.955 0.000 24.797) 25.287 0.931 ( 27.587 0.000 21.678) 35.085 1.942 ( 57.378 0.000 44.435) 72.572 2.356 ( -6.909 -0.000 -10.470) 12.544 2.738 ( 11.421 0.000 -28.906) 31.080 2.906 ( 2.002 0.000 0.325) 2.028 2.994 ( -6.525 -0.000 -7.319) 9.805 3.390 ( 10.573 0.000 11.346) 15.509 3.451 ( -9.825 -0.000 5.799) 11.409 3.589 ( -1.251 -0.000 9.062) 9.148 3.730 ( -6.605 -0.000 12.530) 14.165 3.878 ( -7.982 -0.000 1.970) 8.222 4.261 ( -18.422 -0.000 -21.465) 28.287 4.453 ( -8.892 -0.000 -12.131) 15.041 4.717 ( 12.912 0.000 7.268) 14.817 4.790 ( 16.361 0.000 10.709) 19.554 4.993 ( -27.904 -0.000 2.218) 27.992 5.448 ( -16.958 -0.000 -2.169) 17.096 5.579 ( 4.669 0.000 -9.577) 10.655 5.647 ( 4.416 0.000 -6.746) 8.063 5.749 ( -10.797 -0.000 -2.959) 11.195 5.875 ( -8.816 -0.000 -1.720) 8.982 6.237 ( 5.919 0.000 -2.245) 6.331 6.432 ( 7.820 0.000 5.914) 9.804 6.701 ( -2.897 -0.000 1.815) 3.419 6.748 ( -26.049 -0.000 21.977) 34.081 6.768 ( -0.198 -0.000 0.681) 0.710 6.885 ( -2.569 -0.000 -3.747) 4.543 7.072 ( 26.239 0.000 16.985) 31.256 7.076 ( 12.499 0.000 4.794) 13.387 7.153 ( 11.278 0.000 9.303) 14.620 7.194 ( 3.123 0.000 1.524) 3.474 7.236 ( 27.183 0.000 8.415) 28.456 7.356 ( -0.452 -0.000 7.170) 7.185 7.404 ( -15.087 -0.000 15.431) 21.581 7.465 ( -2.720 -0.000 4.468) 5.231 7.614 ( -26.983 -0.000 -6.657) 27.792 7.836 ( -0.247 -0.000 4.790) 4.796 8.074 ( -11.594 -0.000 -8.171) 14.184 8.338 ( -7.206 -0.000 -3.659) 8.081 8.365 ( -10.568 -0.000 -5.903) 12.105 8.595 ( -14.456 -0.000 -6.159) 15.713 8.732 ( -10.428 -0.000 -3.798) 11.098 8.809 ( 4.837 0.000 -0.510) 4.863 8.915 ( -12.076 -0.000 -12.172) 17.146 9.101 ( 16.565 0.000 2.833) 16.805 9.827 ( 15.672 0.000 -5.951) 16.764 10.017 ( 14.738 0.000 9.272) 17.412 10.531 ( -4.135 -0.000 -3.178) 5.215 10.532 ( 5.048 0.000 -3.241) 5.999 12.346 ( 3.892 0.000 -4.368) 5.850 12.836 ( 2.820 0.000 0.053) 2.820 13.640 ( 0.648 0.000 0.164) 0.668 13.698 ( 5.254 0.000 -7.418) 9.090 13.907 ( 12.765 0.000 6.123) 14.157 14.268 ( -5.761 -0.000 -4.531) 7.330 14.381 ( 0.910 0.000 1.348) 1.626 14.417 ( -19.902 -0.000 -14.627) 24.699 14.598 ( -8.958 -0.000 8.275) 12.195 14.715 ( -5.521 -0.000 9.202) 10.731 14.913 ( 2.163 0.000 6.876) 7.208 15.347 ( -2.319 -0.000 -2.034) 3.085 15.439 ( -7.791 -0.000 5.767) 9.694 15.770 ( 10.922 0.000 0.226) 10.925 15.799 ( 17.414 0.000 12.302) 21.321 15.902 ( -15.443 -0.000 -2.944) 15.721 16.131 ( 28.464 0.000 -34.716) 44.893 16.366 ( 2.431 0.000 -2.614) 3.570 16.379 ( 9.394 0.000 -4.197) 10.288 16.670 ( -1.088 -0.000 -11.481) 11.533 17.051 ( -2.723 -0.000 8.080) 8.526 17.191 ( 0.181 0.000 -0.198) 0.268 17.233 ( 26.426 0.000 -33.877) 42.965 17.243 ( -0.450 -0.000 0.126) 0.467 17.378 ( -6.894 -0.000 -0.534) 6.915 17.588 ( -0.659 -0.000 -0.138) 0.673 17.884 ( 1.129 0.000 0.151) 1.139 18.060 ( -2.496 -0.000 13.277) 13.510 18.378 ( 3.700 0.000 -21.751) 22.063 18.613 ( -1.178 -0.000 -7.660) 7.751 19.110 ( 1.895 0.000 11.301) 11.459 20.169 ( 3.733 0.000 8.060) 8.882 20.219 ( -29.510 -0.000 16.089) 33.611 20.734 ( -7.956 -0.000 -0.161) 7.958 21.101 ( 0.107 0.000 2.231) 2.234 21.345 ( 1.079 0.000 -0.899) 1.405 21.459 ( 4.284 0.000 4.259) 6.041 21.632 ( 1.385 0.000 2.370) 2.745 21.800 ( 2.362 0.000 4.809) 5.358 22.141 ( -3.345 -0.000 -1.331) 3.600 ======================= Grid point 79 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 20.352 -8.696 3.211) 22.363 1.563 ( 19.276 -31.868 17.293) 41.064 2.637 ( 4.908 -31.087 -3.179) 31.632 2.717 ( 41.025 -23.814 18.840) 51.041 2.813 ( 14.366 -2.111 -22.820) 27.048 2.967 ( -8.862 -11.097 -5.589) 15.261 3.105 ( 0.185 -12.865 -0.787) 12.890 3.341 ( -7.764 1.660 14.717) 16.722 3.579 ( -4.080 -1.100 7.403) 8.524 3.617 ( 13.820 -10.726 10.612) 20.461 3.668 ( -4.030 0.724 11.284) 12.004 3.806 ( -16.160 -4.524 -2.049) 16.906 4.086 ( -25.773 -4.062 -16.596) 30.923 4.369 ( -12.227 2.987 -5.634) 13.790 4.568 ( -22.635 3.389 9.342) 24.721 4.937 ( 19.399 2.211 0.571) 19.533 4.984 ( 29.381 4.195 9.871) 31.278 5.321 ( -7.322 1.271 -0.318) 7.439 5.468 ( -3.825 10.769 -0.396) 11.435 5.558 ( -9.456 8.399 -1.978) 12.801 5.708 ( -4.468 12.426 -0.841) 13.232 5.791 ( 11.939 -2.998 -16.239) 20.377 6.168 ( 5.178 12.767 -0.207) 13.779 6.395 ( 4.997 11.341 4.375) 13.143 6.576 ( -3.590 0.523 2.069) 4.176 6.747 ( -4.053 3.518 0.508) 5.391 6.776 ( -2.313 -0.679 1.575) 2.879 6.999 ( -6.360 0.752 -3.563) 7.328 7.033 ( 0.885 3.099 1.392) 3.511 7.144 ( -7.332 -8.454 4.647) 12.117 7.252 ( -13.043 -4.079 1.205) 13.719 7.270 ( 3.848 -3.814 3.816) 6.626 7.325 ( -4.828 -1.954 1.263) 5.360 7.434 ( -2.309 -5.036 0.426) 5.556 7.466 ( 0.307 -3.180 1.667) 3.603 7.561 ( 14.526 -5.522 15.183) 21.726 7.661 ( 8.183 -13.942 9.288) 18.644 7.790 ( -6.593 0.497 -0.700) 6.648 8.043 ( 5.260 -1.033 1.515) 5.571 8.212 ( -20.153 -1.231 -5.730) 20.987 8.271 ( -15.763 -1.962 -10.576) 19.084 8.510 ( -6.906 -0.565 2.288) 7.297 8.679 ( -9.820 -4.126 -3.855) 11.328 8.811 ( -12.614 -3.576 -10.434) 16.756 9.021 ( -1.480 -16.409 -3.611) 16.867 9.243 ( 19.701 2.353 2.724) 20.027 9.977 ( 16.341 -0.814 -5.146) 17.152 10.140 ( 12.431 -0.631 6.328) 13.963 10.470 ( -4.913 2.070 -3.382) 6.314 10.572 ( 3.081 -0.406 -3.995) 5.062 12.392 ( 4.991 -1.021 -2.458) 5.656 12.857 ( 0.707 -0.463 -2.352) 2.499 13.516 ( 4.875 16.579 -1.641) 17.359 13.608 ( -4.413 8.152 -4.214) 10.182 14.025 ( 12.008 -0.024 5.299) 13.125 14.187 ( -3.257 0.576 -6.633) 7.412 14.288 ( -10.038 0.016 1.368) 10.131 14.420 ( -0.012 -3.246 0.676) 3.315 14.571 ( -12.032 -2.605 9.229) 15.386 14.709 ( -4.113 -3.351 5.215) 7.439 14.912 ( 4.869 1.739 1.073) 5.280 15.308 ( -5.415 4.619 1.485) 7.271 15.362 ( -4.371 -1.352 0.958) 4.674 15.688 ( 5.611 16.386 1.633) 17.397 15.739 ( -14.552 4.300 -4.424) 15.806 15.939 ( 14.523 4.543 9.565) 17.974 16.100 ( 8.119 36.400 3.320) 37.442 16.247 ( 20.651 13.207 -23.246) 33.783 16.300 ( -0.688 30.783 0.644) 30.797 16.379 ( 1.681 1.681 -2.779) 3.657 16.522 ( -1.124 4.918 6.246) 8.029 16.852 ( 1.832 16.389 4.178) 17.012 17.323 ( 0.874 -1.216 -9.780) 9.894 17.527 ( -0.058 -11.680 -5.033) 12.718 17.586 ( -3.845 -7.214 1.623) 8.334 17.789 ( -1.007 -22.093 3.124) 22.336 17.866 ( 0.325 -18.675 0.465) 18.684 18.194 ( 9.493 -2.372 4.560) 10.795 18.452 ( 6.547 -0.114 -17.635) 18.812 18.678 ( -1.895 -5.113 -6.665) 8.612 19.170 ( 5.124 -1.679 5.082) 7.409 20.196 ( 2.785 0.579 7.971) 8.463 20.520 ( -21.654 -29.875 -8.031) 37.761 20.707 ( -7.725 -6.353 -0.577) 10.018 21.097 ( -1.722 -0.108 1.550) 2.319 21.343 ( -4.413 -0.720 1.351) 4.671 21.512 ( 6.905 0.679 4.616) 8.334 21.655 ( 3.618 -1.012 3.216) 4.945 21.815 ( 1.510 -0.278 3.001) 3.371 22.109 ( -3.370 -0.119 -1.899) 3.870 ======================= Grid point 80 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 22.555 -10.576 -9.870) 26.796 2.323 ( 17.207 -31.583 12.597) 38.108 2.846 ( 8.029 0.786 -25.504) 26.750 3.052 ( -11.696 4.559 12.633) 17.810 3.137 ( -8.952 -18.588 1.715) 20.703 3.364 ( 2.416 -27.439 -1.365) 27.579 3.415 ( -2.427 -19.555 -2.916) 19.920 3.552 ( -5.146 -0.640 3.951) 6.519 3.612 ( 2.141 -0.987 0.822) 2.497 3.751 ( -19.537 -8.035 7.077) 22.279 3.908 ( 34.056 -27.290 21.807) 48.787 3.997 ( -23.631 -17.438 -9.531) 30.877 4.019 ( 13.010 -17.736 7.601) 23.272 4.137 ( -15.741 -6.235 4.743) 17.583 4.479 ( -1.109 -0.839 3.368) 3.644 5.032 ( 11.713 2.866 -1.633) 12.168 5.123 ( 7.232 18.038 -2.128) 19.550 5.172 ( 27.831 7.994 12.998) 31.740 5.290 ( 0.939 15.859 -0.613) 15.898 5.329 ( -1.674 -0.199 0.014) 1.686 5.371 ( -3.958 16.097 -1.160) 16.617 5.881 ( 0.564 18.716 3.457) 19.041 5.906 ( 7.908 2.529 -12.195) 14.753 6.205 ( -0.177 8.365 2.147) 8.638 6.544 ( -1.458 2.220 -0.748) 2.759 6.643 ( -3.779 3.162 1.312) 5.099 6.741 ( -5.906 0.265 4.393) 7.366 6.834 ( -3.419 7.248 -4.226) 9.060 6.903 ( -4.138 8.654 1.378) 9.691 7.064 ( -2.751 8.190 6.743) 10.960 7.176 ( -14.253 5.929 -5.816) 16.496 7.255 ( -9.317 2.144 -1.754) 9.720 7.402 ( 4.910 -3.770 2.130) 6.547 7.447 ( -22.302 -7.779 -5.145) 24.173 7.564 ( 3.150 -4.645 -2.557) 6.168 7.679 ( 6.263 -1.056 9.400) 11.345 7.796 ( -3.910 -3.741 -6.115) 8.165 7.904 ( 3.827 -0.055 3.436) 5.143 8.098 ( -18.815 -4.618 -7.643) 20.826 8.223 ( 7.835 -13.170 2.303) 15.497 8.259 ( -7.768 -9.747 0.034) 12.464 8.461 ( -5.881 0.115 6.394) 8.688 8.724 ( 0.024 -4.981 -1.991) 5.364 8.823 ( -7.008 -7.543 -4.602) 11.278 9.259 ( 9.583 -1.455 -0.895) 9.734 9.382 ( 4.675 -7.260 -0.986) 8.691 10.112 ( 12.354 -0.080 -4.018) 12.991 10.280 ( 6.430 -4.503 1.074) 7.923 10.382 ( -2.001 2.350 -1.639) 3.495 10.590 ( 0.304 0.001 -5.347) 5.356 12.465 ( 6.711 -1.166 -0.671) 6.845 12.856 ( -2.207 0.045 -4.666) 5.162 13.105 ( -4.480 23.575 -5.195) 24.552 13.438 ( 0.414 8.287 0.053) 8.298 14.063 ( 0.001 2.903 -1.719) 3.374 14.206 ( -1.265 -0.633 -0.748) 1.600 14.249 ( 12.140 1.979 6.907) 14.107 14.411 ( -5.165 5.760 8.610) 11.575 14.519 ( -2.307 -2.191 5.753) 6.574 14.721 ( -3.511 -1.754 7.373) 8.352 14.896 ( 2.502 9.537 -2.713) 10.226 15.097 ( 0.899 18.464 6.895) 19.730 15.272 ( 4.548 8.778 -1.459) 9.993 15.399 ( -1.040 2.090 -3.923) 4.566 15.466 ( -11.110 19.077 -0.104) 22.077 15.569 ( -7.441 10.145 -2.169) 12.767 15.836 ( 2.103 8.233 9.476) 12.728 16.024 ( 8.899 2.883 8.675) 12.757 16.296 ( 10.647 4.618 -12.659) 17.174 16.365 ( 1.707 1.996 -2.051) 3.332 16.501 ( -2.882 -0.953 8.868) 9.373 16.791 ( -0.646 -6.007 -5.445) 8.133 17.357 ( 1.419 -1.101 -9.036) 9.213 17.557 ( 2.394 -1.278 -10.307) 10.659 17.895 ( 1.276 -15.820 -3.267) 16.204 18.027 ( -4.391 -11.608 -2.023) 12.575 18.186 ( 3.601 -4.525 0.725) 5.829 18.392 ( -2.456 -14.498 4.425) 15.356 18.500 ( 11.430 -0.492 -8.718) 14.384 18.738 ( -0.030 -2.560 -1.802) 3.131 19.235 ( 4.388 0.240 0.283) 4.404 20.200 ( 1.892 1.475 2.767) 3.662 20.701 ( -3.520 -8.683 5.340) 10.784 20.876 ( -15.337 -16.800 -10.745) 25.158 21.064 ( -1.866 2.013 1.569) 3.162 21.301 ( -7.976 -0.824 1.985) 8.261 21.520 ( 8.193 5.145 5.817) 11.289 21.721 ( 2.208 -1.189 6.013) 6.514 21.882 ( 1.502 -6.126 -1.551) 6.495 22.092 ( -3.282 -1.367 -2.057) 4.107 ======================= Grid point 81 (33/129) ======================= q-point: ( 0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 20.432 -9.028 -18.755) 29.167 2.708 ( -9.826 9.452 21.683) 25.613 2.915 ( 6.056 -0.965 -26.225) 26.932 3.116 ( 12.818 -27.610 11.793) 32.645 3.256 ( -27.346 10.315 4.933) 29.640 3.391 ( -7.171 -8.534 1.279) 11.220 3.540 ( -2.173 -3.043 2.644) 4.580 3.626 ( 3.773 -1.493 2.165) 4.599 3.749 ( -9.051 -19.899 -3.707) 22.173 3.778 ( -10.919 -14.801 -3.510) 18.724 4.097 ( -10.412 -13.791 17.178) 24.365 4.443 ( 7.363 -11.644 2.754) 14.049 4.483 ( 4.092 -7.608 2.531) 9.002 4.667 ( 5.488 -20.364 -2.997) 21.302 4.779 ( 10.426 -3.428 3.097) 11.404 4.827 ( 13.167 -0.357 4.317) 13.861 4.992 ( 5.545 10.473 2.283) 12.068 5.066 ( 13.137 5.843 -3.532) 14.805 5.104 ( 5.366 0.114 0.045) 5.367 5.280 ( 21.175 11.474 13.872) 27.794 5.335 ( -5.521 -2.916 2.663) 6.787 5.538 ( -3.121 9.821 8.989) 13.675 5.762 ( 1.611 20.622 -5.542) 21.414 6.145 ( 2.350 -1.143 -0.627) 2.687 6.438 ( 0.899 6.967 1.381) 7.159 6.562 ( -3.185 4.522 -5.819) 8.028 6.666 ( -5.874 0.871 2.707) 6.526 6.695 ( -2.055 6.876 -2.835) 7.716 6.757 ( -5.349 2.582 2.625) 6.494 6.801 ( 2.392 15.407 1.858) 15.702 6.948 ( 0.225 5.787 1.544) 5.994 7.132 ( -9.127 1.564 -2.764) 9.664 7.324 ( -29.936 -6.164 -5.396) 31.037 7.510 ( 3.995 -2.918 0.595) 4.983 7.609 ( -15.224 0.644 -13.486) 20.348 7.715 ( 8.974 3.035 4.212) 10.367 7.813 ( -1.185 -1.844 -4.958) 5.421 7.907 ( -6.235 -4.376 -2.128) 7.909 8.060 ( -9.014 -4.329 -5.055) 11.205 8.337 ( -3.948 -2.689 2.388) 5.341 8.486 ( 4.386 -6.982 12.299) 14.807 8.559 ( -4.410 -17.121 -1.760) 17.767 8.828 ( 7.889 -1.789 -1.343) 8.200 8.955 ( 5.705 -6.200 4.259) 9.440 9.280 ( 15.931 9.310 0.146) 18.452 9.511 ( -4.184 -4.877 -2.380) 6.853 10.144 ( -3.943 2.330 -4.980) 6.765 10.310 ( 4.269 -0.796 -2.735) 5.132 10.497 ( 8.327 -6.016 1.582) 10.394 10.571 ( -2.110 0.904 -6.521) 6.913 12.522 ( 4.261 4.731 -1.676) 6.584 12.646 ( -3.443 14.360 -2.338) 14.951 12.836 ( -5.578 -0.005 -5.584) 7.893 13.324 ( 1.944 4.281 0.110) 4.703 13.903 ( -3.579 10.654 -3.862) 11.884 14.212 ( -0.059 0.001 2.437) 2.437 14.278 ( 0.605 2.850 7.886) 8.407 14.349 ( 15.362 2.553 8.715) 17.846 14.551 ( 1.363 -0.949 4.364) 4.670 14.652 ( 0.776 10.568 -1.695) 10.731 14.739 ( -5.847 -2.417 11.014) 12.702 14.820 ( 0.089 10.995 7.661) 13.401 14.981 ( -2.995 17.264 -1.585) 17.593 15.305 ( -4.772 -0.630 -4.375) 6.504 15.358 ( -7.245 0.479 -4.525) 8.555 15.514 ( -0.269 -7.915 -4.185) 8.957 15.809 ( -1.228 -1.146 9.775) 9.919 16.030 ( 5.094 2.956 6.313) 8.634 16.277 ( 11.476 8.154 -2.967) 14.387 16.316 ( -3.031 1.541 -0.122) 3.402 16.495 ( -2.455 -0.814 3.146) 4.072 16.961 ( -1.770 -11.668 -7.658) 14.068 17.365 ( -0.900 0.124 -4.945) 5.028 17.647 ( 8.694 -3.126 -19.346) 21.438 17.991 ( 0.461 4.050 -6.334) 7.533 18.168 ( -5.713 -0.569 3.400) 6.673 18.359 ( -2.224 -19.569 -3.319) 19.973 18.458 ( 2.422 0.625 -7.093) 7.521 18.708 ( 3.605 -5.160 -1.292) 6.425 18.775 ( 3.915 -0.191 5.886) 7.072 19.226 ( 0.695 2.518 2.030) 3.308 20.183 ( 0.219 1.103 -0.593) 1.271 20.823 ( -0.125 -1.606 1.565) 2.246 20.971 ( -7.823 -6.385 -4.904) 11.225 21.083 ( 1.935 -6.853 6.282) 9.496 21.247 ( -10.046 -1.920 0.657) 10.249 21.496 ( 9.782 5.592 4.729) 12.220 21.738 ( 0.574 0.293 6.047) 6.081 21.977 ( -5.469 -3.030 -3.948) 7.395 22.135 ( 2.142 -4.918 -0.495) 5.387 ======================= Grid point 82 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 14.194 -5.396 -25.311) 29.516 2.369 ( -10.888 15.652 30.316) 35.813 2.678 ( -23.575 17.477 6.236) 30.002 3.048 ( 8.494 -2.019 -19.608) 21.464 3.485 ( -0.329 -4.938 0.510) 4.975 3.611 ( 8.152 0.304 4.714) 9.422 3.637 ( 0.435 -7.001 2.614) 7.485 3.813 ( 9.252 -19.736 9.974) 23.971 3.900 ( -10.050 -4.827 -4.777) 12.129 3.956 ( -4.514 -12.808 3.668) 14.067 4.315 ( -11.079 -8.907 2.354) 14.409 4.471 ( 0.310 3.362 0.559) 3.422 4.609 ( 2.194 -0.723 2.210) 3.197 4.650 ( 7.519 12.457 3.411) 14.945 4.701 ( 1.227 3.961 0.206) 4.151 4.765 ( 5.247 10.314 3.800) 12.180 4.931 ( -1.132 16.162 1.238) 16.249 4.950 ( 0.777 -0.589 2.178) 2.387 5.082 ( -5.137 8.100 0.490) 9.604 5.135 ( -2.395 38.352 -0.201) 38.427 5.336 ( -7.880 -3.554 3.189) 9.214 5.657 ( 33.058 -11.705 17.481) 39.184 5.967 ( 1.245 -41.313 1.834) 41.373 6.238 ( 1.914 -5.474 -2.041) 6.148 6.369 ( 5.906 3.274 1.850) 7.002 6.447 ( 1.367 4.812 -8.488) 9.853 6.565 ( 0.908 2.654 1.077) 3.004 6.610 ( -0.044 1.755 4.295) 4.640 6.653 ( 3.284 1.919 3.546) 5.200 6.791 ( 0.676 -2.198 -0.093) 2.302 6.933 ( 1.703 -1.430 1.184) 2.519 7.050 ( -7.505 -0.588 -0.754) 7.566 7.188 ( -22.753 -5.181 -1.824) 23.406 7.320 ( -23.097 5.877 -17.193) 29.387 7.578 ( 1.008 1.678 -5.322) 5.671 7.728 ( 5.405 2.888 2.108) 6.480 7.788 ( 0.692 3.154 1.473) 3.550 7.957 ( 2.159 -3.736 0.911) 4.410 8.108 ( -3.527 -6.537 -5.826) 9.440 8.361 ( -7.004 -5.582 -2.390) 9.270 8.719 ( -1.476 -13.325 2.185) 13.583 8.797 ( 4.122 -9.983 7.691) 13.259 8.911 ( 6.875 -0.293 -3.044) 7.524 9.096 ( 8.845 -0.205 5.104) 10.214 9.216 ( 14.891 11.537 -0.932) 18.860 9.490 ( -5.236 2.222 -2.329) 6.146 10.011 ( -10.728 3.396 -3.687) 11.841 10.391 ( 4.753 -2.384 -3.128) 6.169 10.521 ( -2.801 1.429 -7.192) 7.849 10.663 ( 8.662 -3.469 0.258) 9.334 12.245 ( -9.409 10.452 -4.208) 14.680 12.621 ( 6.122 1.384 2.695) 6.830 12.791 ( -4.784 -0.344 -5.728) 7.471 13.333 ( 2.528 -3.221 -0.443) 4.118 13.714 ( -2.988 4.604 -2.149) 5.894 14.215 ( -0.186 -1.326 6.753) 6.885 14.296 ( 2.767 -1.158 -1.263) 3.254 14.420 ( 11.426 1.240 7.750) 13.862 14.548 ( -2.486 0.609 -0.894) 2.711 14.576 ( -2.461 3.798 0.841) 4.603 14.664 ( 2.333 -1.896 7.397) 7.985 14.737 ( 0.043 3.153 6.485) 7.211 14.808 ( -6.493 -2.921 9.488) 11.862 15.213 ( -7.652 1.552 -8.638) 11.644 15.345 ( -1.085 -1.326 -2.384) 2.936 15.699 ( 2.024 -8.904 -1.372) 9.233 15.813 ( -2.765 -0.518 7.628) 8.130 16.019 ( 2.136 1.647 4.553) 5.292 16.165 ( 4.261 9.611 7.000) 12.630 16.298 ( -0.750 -0.338 -2.619) 2.745 16.492 ( 0.667 0.289 -2.590) 2.690 17.141 ( 0.680 -7.058 -7.169) 10.083 17.345 ( -1.730 0.067 -3.993) 4.352 17.749 ( 6.670 4.998 -9.335) 12.514 17.854 ( 2.521 4.491 -20.103) 20.753 18.072 ( -13.637 0.659 7.033) 15.358 18.447 ( 4.864 2.553 -10.815) 12.130 18.581 ( 3.399 6.153 -2.832) 7.578 18.728 ( -0.697 1.792 -0.385) 1.961 18.832 ( -0.526 -8.025 0.825) 8.085 19.193 ( 0.066 1.198 7.392) 7.488 20.147 ( -1.332 3.136 1.509) 3.726 20.792 ( 1.716 1.015 -1.181) 2.318 21.032 ( -3.257 -2.876 0.288) 4.355 21.206 ( -8.560 -4.802 -0.992) 9.865 21.294 ( 5.377 -8.563 8.334) 13.103 21.492 ( 11.054 4.482 2.518) 12.191 21.731 ( -0.860 0.626 4.613) 4.734 21.919 ( -7.700 1.844 -2.670) 8.356 22.248 ( 2.579 -3.440 -1.649) 4.605 ======================= Grid point 83 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -25.684 11.559 7.878) 29.246 2.005 ( 5.216 23.058 21.618) 32.035 2.350 ( 6.603 1.986 -6.956) 9.795 3.187 ( 9.020 -4.508 -17.031) 19.792 3.523 ( 3.993 6.753 2.553) 8.250 3.615 ( 0.104 -1.655 2.895) 3.336 3.750 ( 3.329 0.594 2.236) 4.054 3.790 ( -0.950 2.800 2.079) 3.614 3.928 ( 0.256 26.337 -5.609) 26.929 4.017 ( -4.361 26.759 1.061) 27.132 4.083 ( 3.515 18.646 9.853) 21.380 4.158 ( 0.452 36.172 3.488) 36.343 4.256 ( -3.171 23.763 5.769) 24.658 4.431 ( -1.226 3.336 0.905) 3.668 4.636 ( 1.324 -18.196 2.017) 18.355 4.835 ( -5.149 -13.361 3.499) 14.741 4.847 ( -2.569 -15.881 1.382) 16.147 4.923 ( -5.099 -5.898 0.616) 7.821 4.968 ( -1.287 -12.284 -3.285) 12.781 5.167 ( -8.399 -7.558 4.502) 12.163 5.402 ( -1.968 -9.369 -1.930) 9.766 6.035 ( 21.259 -2.228 14.906) 26.060 6.263 ( -9.271 7.174 -11.684) 16.551 6.330 ( 1.144 -5.393 -1.376) 5.682 6.427 ( 12.207 -0.154 5.410) 13.353 6.532 ( -2.676 -2.858 -0.972) 4.034 6.562 ( 1.467 -1.724 2.166) 3.133 6.680 ( 8.495 1.936 8.233) 11.987 6.776 ( -5.414 -14.390 0.226) 15.376 6.862 ( -2.065 -14.323 -1.575) 14.556 6.941 ( -8.809 -1.817 -6.602) 11.157 7.023 ( -3.509 -2.871 4.097) 6.110 7.144 ( 2.315 -1.745 -1.906) 3.470 7.205 ( -1.587 -8.862 1.719) 9.165 7.493 ( -1.625 5.038 -3.215) 6.193 7.625 ( -4.020 4.290 -3.508) 6.846 7.810 ( 8.712 2.865 7.692) 11.969 8.118 ( 10.751 -6.292 2.130) 12.638 8.185 ( -6.350 -6.099 -8.056) 11.934 8.408 ( -4.719 -4.532 -5.893) 8.805 8.858 ( -4.687 -4.795 -5.245) 8.513 8.936 ( -1.278 -1.203 -5.060) 5.355 9.057 ( -0.847 0.769 2.246) 2.520 9.085 ( 7.611 1.349 0.798) 7.771 9.134 ( 12.601 3.995 5.107) 14.171 9.359 ( -0.545 8.218 0.045) 8.236 9.855 ( -10.120 3.064 -2.798) 10.937 10.462 ( 0.638 -2.680 -3.430) 4.400 10.476 ( -0.422 1.287 -6.313) 6.456 10.761 ( 2.490 -0.484 -7.137) 7.575 12.055 ( -3.819 2.731 -0.097) 4.696 12.630 ( 2.682 1.098 2.571) 3.874 12.775 ( 0.073 -0.339 -2.233) 2.259 13.468 ( 0.105 -9.071 -3.076) 9.579 13.695 ( 0.357 -3.326 0.525) 3.387 14.258 ( 2.547 -1.631 4.368) 5.313 14.306 ( -1.048 1.826 -1.954) 2.873 14.426 ( -4.614 3.282 -2.282) 6.105 14.530 ( -1.372 -1.626 4.213) 4.719 14.605 ( 3.634 -9.341 7.580) 12.566 14.792 ( -1.532 -3.820 15.452) 15.991 14.835 ( 2.348 -14.393 -0.038) 14.584 14.872 ( 1.066 -9.191 4.378) 10.236 15.119 ( -5.648 2.293 -10.166) 11.853 15.385 ( 0.683 -4.032 -0.166) 4.093 15.741 ( -0.031 4.994 12.517) 13.476 15.868 ( 0.749 -3.041 -1.003) 3.288 15.986 ( -1.034 1.686 6.138) 6.449 16.077 ( 1.254 0.730 0.074) 1.452 16.300 ( -1.731 -1.031 -0.771) 2.158 16.493 ( 2.511 1.090 -3.274) 4.268 17.109 ( 3.049 13.581 -8.537) 16.329 17.370 ( -5.122 -4.763 0.795) 7.039 17.598 ( 0.807 3.467 -5.692) 6.713 17.922 ( 6.698 0.034 -17.474) 18.714 17.942 ( -10.224 0.704 3.827) 10.939 18.346 ( 3.856 15.359 -2.733) 16.070 18.434 ( 3.658 7.920 -9.403) 12.827 18.566 ( 3.333 11.444 -7.594) 14.133 18.942 ( -9.060 -1.583 -3.907) 9.993 19.186 ( 1.121 0.185 12.938) 12.988 20.063 ( 0.359 3.578 2.581) 4.426 20.857 ( 5.194 -3.703 1.991) 6.683 21.000 ( -4.652 1.724 2.217) 5.434 21.268 ( -4.985 -7.522 -3.017) 9.515 21.440 ( 6.936 0.986 4.992) 8.602 21.549 ( 9.001 -1.925 3.606) 9.886 21.695 ( -3.959 1.561 1.078) 4.390 21.802 ( -5.931 3.469 0.843) 6.923 22.284 ( 0.678 1.058 -3.862) 4.061 ======================= Grid point 84 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -25.813 19.363 20.573) 38.269 1.650 ( 10.341 22.238 37.879) 45.125 2.473 ( 13.464 -2.197 -23.198) 26.912 2.862 ( 4.801 67.525 5.925) 67.954 3.279 ( 0.234 26.914 -7.244) 27.873 3.312 ( 1.036 4.310 -5.729) 7.244 3.399 ( 3.677 13.246 -5.436) 14.783 3.514 ( 0.806 26.524 -2.472) 26.651 3.641 ( -4.222 0.148 10.623) 11.432 3.719 ( -2.132 -0.157 5.165) 5.590 3.776 ( -0.609 19.708 9.050) 21.695 3.891 ( 9.106 2.362 5.566) 10.931 4.239 ( 10.842 -5.570 12.569) 17.509 4.365 ( -1.389 1.588 -4.961) 5.391 4.782 ( -9.541 1.689 1.218) 9.766 4.931 ( -17.846 -4.241 -11.224) 21.505 5.105 ( -10.120 -9.390 1.510) 13.888 5.157 ( 1.518 -22.207 -0.267) 22.260 5.259 ( -0.708 -22.876 -0.335) 22.890 5.439 ( 1.304 -24.478 -1.028) 24.535 5.534 ( -6.712 -6.627 -4.412) 10.413 5.986 ( -13.099 8.512 -12.487) 19.998 6.102 ( -15.687 -5.806 1.942) 16.840 6.399 ( -7.078 -0.276 -0.015) 7.083 6.551 ( 21.208 0.036 11.236) 24.000 6.601 ( 6.877 1.192 5.603) 8.951 6.638 ( 14.454 -4.392 5.801) 16.181 6.715 ( 10.735 2.115 10.686) 15.294 6.796 ( -1.119 -0.298 -1.187) 1.658 6.965 ( 4.273 -1.090 -3.040) 5.356 7.062 ( 0.482 -2.687 3.241) 4.237 7.096 ( 4.875 -4.200 2.863) 7.042 7.204 ( 2.307 -0.432 5.091) 5.606 7.418 ( 0.964 0.763 -0.253) 1.255 7.496 ( -1.257 -3.772 1.426) 4.224 7.617 ( -0.393 -15.229 4.524) 15.892 7.817 ( 4.888 2.404 4.298) 6.939 8.188 ( -14.394 -5.089 -8.202) 17.330 8.313 ( 6.208 -1.279 -4.807) 7.955 8.412 ( -5.313 0.124 -7.687) 9.346 8.792 ( -10.175 3.123 -3.474) 11.196 8.855 ( 6.882 7.579 -3.830) 10.930 8.966 ( -9.613 0.369 -7.075) 11.941 9.015 ( -2.545 2.388 -5.357) 6.394 9.142 ( 1.689 13.641 -0.423) 13.751 9.399 ( 6.836 -8.072 8.579) 13.619 9.739 ( -3.677 2.371 -3.432) 5.561 10.428 ( -9.822 4.938 -12.387) 16.562 10.505 ( -2.255 -1.042 -5.343) 5.893 10.588 ( -19.185 8.658 -16.084) 26.490 12.141 ( 20.633 -3.416 4.078) 21.308 12.713 ( 11.626 -8.326 9.866) 17.373 12.792 ( 3.537 0.400 1.155) 3.742 13.624 ( -4.771 -9.078 -7.192) 12.526 13.783 ( 3.532 -1.620 2.293) 4.512 14.265 ( 4.154 0.304 -0.439) 4.188 14.336 ( 4.694 -2.932 1.444) 5.720 14.404 ( 2.471 -3.999 -1.081) 4.823 14.566 ( -3.811 -4.826 1.812) 6.411 14.748 ( -9.144 -5.888 16.950) 20.139 14.858 ( 1.324 -2.304 11.909) 12.202 14.993 ( -2.513 5.148 -11.414) 12.771 15.147 ( 0.414 -19.100 3.289) 19.386 15.195 ( 7.273 -10.993 -4.163) 13.823 15.599 ( 1.499 -21.262 2.697) 21.484 15.634 ( 3.667 6.931 12.337) 14.618 15.795 ( 0.914 5.916 8.912) 10.736 16.039 ( -3.776 -4.379 -1.352) 5.938 16.117 ( -1.710 -5.420 -5.278) 7.756 16.309 ( -0.160 -1.091 -0.529) 1.223 16.491 ( 1.716 0.831 -0.278) 1.927 16.837 ( -0.173 11.129 -3.880) 11.787 17.379 ( -5.636 -2.240 -0.814) 6.119 17.636 ( 0.886 -1.757 -0.942) 2.181 17.849 ( -3.490 3.885 1.127) 5.343 17.901 ( 4.221 6.730 -1.052) 8.013 18.103 ( 4.363 16.365 -7.096) 18.363 18.195 ( 2.882 13.155 -7.497) 15.413 18.468 ( 7.618 8.539 -15.026) 18.888 18.750 ( -6.911 9.239 -9.797) 15.136 19.184 ( -2.100 0.731 15.084) 15.247 20.061 ( 3.670 -0.770 3.220) 4.943 20.905 ( -7.744 1.100 0.994) 7.885 20.987 ( 6.410 -2.568 3.697) 7.832 21.354 ( 2.358 -1.730 -2.217) 3.670 21.433 ( 1.177 2.029 1.606) 2.843 21.585 ( -8.427 4.217 -4.099) 10.276 21.639 ( -1.723 -0.226 4.816) 5.120 21.728 ( 1.211 0.825 2.046) 2.517 22.227 ( -1.716 3.564 -5.010) 6.384 ======================= Grid point 87 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 30.350 0.000 -6.900) 31.125 1.451 ( 29.955 0.000 16.523) 34.210 2.262 ( -3.102 -0.000 -8.613) 9.155 2.750 ( -14.038 -0.000 -8.337) 16.327 2.869 ( 10.449 0.000 -22.444) 24.757 2.968 ( 38.586 0.000 15.562) 41.606 2.995 ( 1.612 0.000 -0.750) 1.778 3.326 ( 6.440 0.000 23.442) 24.311 3.519 ( -6.978 -0.000 6.647) 9.637 3.542 ( -22.466 -0.000 4.238) 22.862 3.670 ( -5.163 -0.000 -4.060) 6.568 3.675 ( 20.660 0.000 10.231) 23.054 3.868 ( -17.941 -0.000 -2.687) 18.141 4.214 ( -28.823 -0.000 6.813) 29.618 4.488 ( -3.560 -0.000 3.753) 5.173 5.061 ( 3.655 0.000 0.963) 3.780 5.328 ( 12.539 0.000 -3.893) 13.130 5.346 ( 35.752 0.000 13.628) 38.261 5.384 ( -22.899 -0.000 -2.561) 23.042 5.650 ( 4.747 0.000 2.108) 5.194 5.813 ( 6.571 0.000 -2.417) 7.002 5.891 ( 10.866 0.000 -12.293) 16.407 6.376 ( 8.195 0.000 -2.798) 8.660 6.547 ( -3.174 -0.000 0.051) 3.174 6.581 ( 6.897 0.000 4.169) 8.058 6.641 ( -4.126 -0.000 2.545) 4.847 6.749 ( -3.526 -0.000 -1.714) 3.920 6.775 ( -44.402 -0.000 -12.348) 46.087 6.818 ( -4.491 -0.000 -2.010) 4.921 7.073 ( -2.722 -0.000 3.517) 4.448 7.122 ( -1.518 -0.000 -4.041) 4.316 7.278 ( -2.431 -0.000 8.455) 8.798 7.387 ( 4.145 0.000 4.524) 6.136 7.404 ( -0.029 -0.000 1.324) 1.324 7.463 ( -3.863 -0.000 12.861) 13.429 7.520 ( -0.969 -0.000 4.324) 4.431 7.730 ( -7.388 -0.000 1.171) 7.480 7.790 ( 34.548 0.000 18.417) 39.150 7.988 ( -26.813 -0.000 -9.466) 28.434 8.095 ( 8.149 0.000 4.095) 9.120 8.177 ( -9.711 -0.000 -3.048) 10.178 8.456 ( -8.592 -0.000 5.064) 9.973 8.616 ( 6.567 0.000 -3.557) 7.469 8.661 ( -13.065 -0.000 -11.809) 17.611 8.808 ( -5.663 -0.000 -5.753) 8.073 9.445 ( 19.673 0.000 2.804) 19.871 10.105 ( 14.824 0.000 -5.407) 15.779 10.236 ( 8.341 0.000 2.700) 8.768 10.450 ( -3.922 -0.000 -1.391) 4.162 10.585 ( 0.996 0.000 -4.420) 4.531 12.435 ( 7.338 0.000 -0.252) 7.342 12.845 ( -2.202 -0.000 -5.524) 5.946 13.658 ( 1.412 0.000 0.481) 1.491 13.749 ( 2.010 0.000 -4.478) 4.908 14.018 ( -9.921 -0.000 -7.950) 12.713 14.180 ( -2.845 -0.000 -2.804) 3.995 14.278 ( 14.383 0.000 5.915) 15.552 14.362 ( -4.996 -0.000 7.425) 8.949 14.418 ( -9.793 -0.000 8.389) 12.895 14.651 ( -1.554 -0.000 2.623) 3.049 14.979 ( 3.751 0.000 2.148) 4.323 15.267 ( -6.028 -0.000 -1.436) 6.197 15.320 ( -6.295 -0.000 6.135) 8.790 15.564 ( -21.464 -0.000 -5.789) 22.231 15.953 ( 9.919 0.000 1.107) 9.980 16.078 ( 12.018 0.000 8.955) 14.987 16.288 ( 3.681 0.000 -8.454) 9.221 16.391 ( 1.005 0.000 -3.035) 3.197 16.483 ( 0.544 0.000 0.043) 0.546 16.637 ( -1.446 -0.000 -9.046) 9.161 16.978 ( -6.153 -0.000 7.360) 9.593 17.183 ( -0.839 -0.000 -0.546) 1.001 17.247 ( 0.820 0.000 0.622) 1.029 17.337 ( 2.337 0.000 -12.330) 12.550 17.535 ( 4.492 0.000 -13.702) 14.419 17.572 ( -1.043 -0.000 -0.199) 1.061 17.888 ( -5.637 -0.000 5.813) 8.097 17.907 ( 1.361 0.000 0.040) 1.362 18.458 ( 5.734 0.000 -19.544) 20.368 18.582 ( -1.570 -0.000 1.465) 2.148 19.213 ( 7.477 0.000 -0.420) 7.489 19.995 ( -4.619 -0.000 -3.535) 5.816 20.252 ( 4.850 0.000 12.370) 13.287 20.619 ( -5.145 -0.000 -0.738) 5.197 21.082 ( -1.321 -0.000 2.645) 2.957 21.304 ( -4.431 -0.000 0.919) 4.525 21.564 ( 5.918 0.000 3.173) 6.715 21.682 ( 2.938 0.000 5.233) 6.001 21.825 ( 0.462 0.000 2.081) 2.131 22.081 ( -3.123 -0.000 -0.921) 3.256 ======================= Grid point 88 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 31.006 -4.492 -14.970) 34.722 1.957 ( 23.967 -23.336 12.278) 35.633 2.642 ( -1.578 -32.747 -5.114) 33.181 2.765 ( -10.687 -19.866 -5.287) 23.169 2.907 ( 4.050 0.579 -22.952) 23.313 3.059 ( -6.641 0.571 12.800) 14.431 3.113 ( -1.053 -9.175 -1.012) 9.291 3.389 ( -22.614 -5.901 -1.497) 23.419 3.472 ( -8.013 -1.923 4.833) 9.553 3.567 ( -2.649 -5.377 -1.093) 6.093 3.681 ( -12.331 1.719 -1.579) 12.550 3.881 ( 26.114 -8.259 25.826) 37.645 3.947 ( 19.992 -7.101 8.866) 22.994 4.006 ( 4.240 -4.029 14.338) 15.485 4.480 ( 1.695 0.021 4.954) 5.236 5.041 ( -7.529 -0.115 5.885) 9.557 5.179 ( -20.733 -0.679 1.897) 20.831 5.456 ( 19.311 4.334 -15.048) 24.862 5.573 ( 6.434 13.516 0.435) 14.976 5.607 ( 34.479 5.997 17.934) 39.324 5.748 ( 7.330 14.388 3.867) 16.604 5.992 ( 11.655 -0.587 -16.877) 20.519 6.250 ( 1.087 16.334 -1.732) 16.462 6.295 ( -24.437 6.141 -5.272) 25.743 6.544 ( -0.893 -0.264 -2.234) 2.421 6.641 ( -6.208 -0.481 2.579) 6.740 6.679 ( -12.581 0.192 -5.254) 13.635 6.746 ( -7.889 -4.413 -1.803) 9.217 6.926 ( -4.539 -14.995 -3.964) 16.161 7.015 ( -4.398 4.975 1.555) 6.819 7.137 ( -3.616 0.265 -1.951) 4.117 7.183 ( -3.631 4.151 4.329) 7.011 7.301 ( -6.355 2.825 4.286) 8.170 7.369 ( -2.560 -2.519 0.348) 3.608 7.478 ( -3.514 -1.368 -0.988) 3.898 7.636 ( -0.335 -9.420 11.261) 14.685 7.685 ( -5.662 -1.047 -2.997) 6.491 7.830 ( -15.227 -4.618 -1.315) 15.966 7.992 ( -7.674 2.521 -2.148) 8.358 8.021 ( 9.403 3.715 5.471) 11.496 8.269 ( 11.020 -3.663 9.089) 14.747 8.383 ( -7.658 -1.237 6.264) 9.971 8.627 ( -3.340 -7.393 -4.580) 9.316 8.746 ( 13.086 -2.458 -2.132) 13.485 8.926 ( -8.998 -17.954 -7.493) 21.435 9.577 ( 17.744 3.535 2.339) 18.243 10.210 ( 8.390 0.948 -5.267) 9.952 10.275 ( 1.270 -0.739 -3.760) 4.037 10.420 ( 2.009 1.348 2.647) 3.586 10.583 ( -1.245 -0.066 -5.248) 5.394 12.515 ( 8.777 -0.742 1.690) 8.969 12.816 ( -4.545 -0.354 -7.872) 9.097 13.480 ( -4.734 21.006 -6.276) 22.429 13.602 ( 1.695 7.079 0.297) 7.285 14.029 ( -4.841 -4.140 -1.653) 6.581 14.183 ( 0.359 -1.175 -0.724) 1.426 14.342 ( -5.106 -2.509 10.410) 11.863 14.404 ( -2.378 -4.400 6.474) 8.181 14.450 ( 14.209 -0.763 9.114) 16.898 14.685 ( 1.355 -2.956 -2.711) 4.233 14.982 ( 2.935 2.420 -0.415) 3.827 15.205 ( -6.972 2.946 0.454) 7.583 15.264 ( -6.154 -1.792 3.090) 7.116 15.366 ( -21.514 0.713 -6.526) 22.493 15.826 ( 5.238 20.741 3.291) 21.644 16.104 ( 2.400 20.361 2.455) 20.649 16.160 ( 4.031 9.966 6.617) 12.623 16.270 ( -3.306 24.919 3.015) 25.318 16.397 ( 1.485 3.675 -0.155) 3.967 16.490 ( 2.433 8.663 -3.057) 9.503 16.533 ( 6.118 7.946 -3.855) 10.744 16.878 ( 1.275 20.822 -1.698) 20.930 17.339 ( 1.229 -2.569 -8.464) 8.931 17.535 ( -1.931 -13.544 -1.118) 13.727 17.552 ( 3.722 -6.666 -12.666) 14.789 17.762 ( -1.826 -26.744 1.695) 26.860 17.880 ( 1.172 -7.224 -0.812) 7.363 18.316 ( 4.427 -6.901 -1.096) 8.272 18.570 ( 4.829 -7.399 -15.789) 18.093 18.591 ( -3.931 -4.246 7.856) 9.756 19.289 ( 7.448 -0.489 -5.355) 9.187 20.121 ( -10.678 -10.886 -4.576) 15.920 20.385 ( 4.072 -11.344 5.306) 13.169 20.616 ( -3.433 -4.281 0.899) 5.561 21.073 ( -0.370 0.503 3.039) 3.103 21.254 ( -5.510 0.901 1.854) 5.883 21.634 ( 5.590 -0.697 4.605) 7.276 21.704 ( 1.051 -1.250 4.297) 4.597 21.824 ( -0.230 -0.099 -0.429) 0.497 22.057 ( -2.154 -0.048 0.117) 2.158 ======================= Grid point 89 (39/129) ======================= q-point: ( 0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 26.505 -5.250 -20.508) 33.921 2.620 ( 15.249 -24.912 7.779) 30.227 2.804 ( -16.101 1.382 15.330) 22.275 2.890 ( -10.041 -10.157 3.290) 14.656 3.025 ( 2.548 -6.281 -14.095) 15.640 3.326 ( -10.217 -4.986 -2.167) 11.574 3.335 ( -8.974 -7.497 -3.297) 12.149 3.405 ( -2.656 -9.959 -4.094) 11.090 3.464 ( -5.381 -6.270 1.220) 8.352 3.655 ( 2.914 -9.654 7.823) 12.763 3.765 ( -4.194 -46.929 -8.881) 47.946 3.866 ( -6.636 -2.125 17.054) 18.422 4.326 ( 20.126 -11.168 6.615) 23.949 4.449 ( 2.920 -2.992 3.295) 5.323 4.772 ( 36.799 -15.434 18.783) 44.104 4.951 ( -8.570 -3.700 3.731) 10.053 5.102 ( -9.718 -4.352 11.210) 15.461 5.244 ( 4.614 22.100 1.475) 22.625 5.399 ( 6.580 19.758 -0.393) 20.829 5.485 ( 6.627 13.254 -14.029) 20.406 5.743 ( 23.898 11.337 16.760) 31.314 5.883 ( -2.205 19.897 2.480) 20.172 6.044 ( 7.718 6.107 -12.570) 15.965 6.081 ( -14.552 -2.002 -6.142) 15.921 6.519 ( -9.452 2.809 -5.777) 11.428 6.544 ( -5.222 -1.088 -3.783) 6.540 6.600 ( -5.968 0.520 2.914) 6.661 6.730 ( -2.780 0.961 1.021) 3.113 6.828 ( -4.829 8.409 -0.438) 9.707 6.933 ( -3.664 5.017 -2.105) 6.559 7.024 ( -3.467 5.906 5.729) 8.928 7.116 ( -5.594 3.862 0.246) 6.802 7.218 ( -5.883 1.104 -0.205) 5.989 7.459 ( -8.197 0.401 -8.343) 11.702 7.485 ( 2.333 -6.704 -3.435) 7.886 7.685 ( -3.956 -5.340 -2.161) 6.988 7.736 ( -5.601 -5.675 -0.429) 7.985 7.861 ( -1.193 -2.478 1.397) 3.085 7.881 ( -4.917 -1.069 -1.020) 5.135 8.151 ( -3.600 -10.877 2.963) 11.834 8.270 ( -8.404 -4.059 7.117) 11.737 8.434 ( 5.183 -2.460 7.069) 9.104 8.863 ( 8.835 -10.445 4.240) 14.323 8.892 ( 8.562 -2.849 -3.439) 9.657 9.216 ( -3.719 -16.811 -4.292) 17.745 9.616 ( 13.812 7.148 1.468) 15.621 10.155 ( -6.051 3.671 -5.409) 8.907 10.334 ( 5.433 -1.097 -4.116) 6.904 10.465 ( 4.456 -3.100 1.228) 5.565 10.561 ( -2.410 0.418 -5.900) 6.386 12.601 ( 6.697 -0.626 2.371) 7.132 12.778 ( -3.753 0.056 -8.390) 9.191 13.011 ( -3.063 23.952 -3.594) 24.413 13.460 ( 0.882 8.347 -0.570) 8.413 14.024 ( -1.818 1.764 0.740) 2.639 14.213 ( 0.793 0.008 -0.625) 1.010 14.308 ( -4.251 1.966 8.826) 9.992 14.448 ( -4.548 -2.589 10.852) 12.047 14.590 ( 19.395 2.464 8.295) 21.238 14.730 ( 3.522 0.314 -1.023) 3.682 14.897 ( -1.454 10.152 -3.104) 10.715 15.043 ( -12.702 6.267 -2.324) 14.353 15.156 ( -12.117 8.580 -0.294) 14.850 15.278 ( -2.947 -2.824 0.570) 4.121 15.382 ( 1.350 17.068 -1.598) 17.196 15.614 ( 5.153 22.597 1.288) 23.213 15.856 ( -0.816 8.891 12.312) 15.209 16.127 ( 1.081 3.770 -0.087) 3.923 16.329 ( -1.576 3.103 0.123) 3.482 16.445 ( -2.596 2.010 13.528) 13.921 16.531 ( 11.588 3.082 -11.978) 16.949 16.782 ( -0.187 -4.320 -6.064) 7.448 17.366 ( 1.431 -0.042 -9.019) 9.132 17.640 ( 6.987 -4.236 -18.621) 20.334 17.909 ( 0.835 -17.037 -3.963) 17.512 17.940 ( -4.959 -7.296 -1.086) 8.888 18.189 ( -1.536 -12.738 -3.929) 13.418 18.330 ( -6.375 -1.625 -1.188) 6.685 18.662 ( 4.698 -3.758 9.875) 11.563 18.771 ( 5.443 -6.570 0.160) 8.533 19.317 ( 5.422 3.790 -5.699) 8.732 20.159 ( -6.811 -3.157 -5.602) 9.367 20.652 ( -4.578 -14.387 -6.582) 16.470 20.739 ( 2.375 -8.683 7.103) 11.466 21.062 ( 1.624 0.396 5.447) 5.698 21.184 ( -5.322 1.198 3.078) 6.264 21.638 ( 2.267 2.795 5.681) 6.725 21.756 ( 3.387 0.054 3.045) 4.555 21.855 ( -3.762 -4.827 -2.464) 6.598 22.063 ( -0.311 -2.665 0.314) 2.702 ======================= Grid point 90 (40/129) ======================= q-point: ( 0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 16.120 -2.791 -23.606) 28.721 2.480 ( -16.963 9.985 31.968) 37.542 2.854 ( -3.385 5.395 -6.792) 9.311 3.084 ( 2.826 3.227 -12.795) 13.495 3.236 ( -7.711 -10.235 7.370) 14.783 3.354 ( 12.483 -28.446 3.786) 31.295 3.552 ( -0.610 -11.189 -3.159) 11.642 3.599 ( -2.522 -11.674 -0.911) 11.978 3.643 ( -1.845 -17.093 -3.901) 17.629 3.803 ( 10.257 -0.988 5.574) 11.716 3.922 ( -9.441 -12.342 19.011) 24.553 4.461 ( -0.628 -2.115 -0.635) 2.296 4.683 ( 9.664 -15.164 -0.116) 17.982 4.744 ( 8.318 -15.618 3.499) 18.038 4.853 ( -1.855 -7.672 3.518) 8.641 4.890 ( -3.800 10.574 1.552) 11.343 4.977 ( -3.155 8.928 0.749) 9.499 5.078 ( -3.212 -2.054 4.141) 5.628 5.241 ( -3.391 13.429 -6.749) 15.407 5.425 ( 8.157 11.086 3.537) 14.210 5.462 ( -2.718 13.770 6.832) 15.610 5.733 ( 11.101 6.916 10.911) 17.033 5.834 ( 9.805 14.343 2.913) 17.617 6.088 ( -4.247 -9.047 -3.814) 10.697 6.404 ( -7.270 0.522 -7.122) 10.191 6.504 ( -10.434 -2.116 -2.134) 10.859 6.546 ( 4.444 3.158 -0.559) 5.480 6.620 ( -6.070 6.021 1.133) 8.625 6.702 ( -0.458 3.212 -0.750) 3.330 6.845 ( 1.105 3.757 0.142) 3.919 6.933 ( 1.677 2.124 0.920) 2.858 7.019 ( -0.046 3.452 2.853) 4.479 7.149 ( 0.829 3.044 1.891) 3.678 7.300 ( -2.510 6.245 -7.845) 10.337 7.579 ( -0.204 -1.144 -5.496) 5.618 7.728 ( -7.210 -2.503 -3.111) 8.242 7.843 ( -0.601 -7.670 -2.102) 7.976 7.885 ( 3.118 0.153 6.814) 7.495 7.930 ( 0.139 -6.340 -3.672) 7.328 8.198 ( -8.546 -6.470 2.294) 10.961 8.405 ( -6.043 -9.604 -3.786) 11.962 8.638 ( 9.159 -12.498 15.016) 21.577 8.976 ( 2.675 -1.139 -6.366) 6.999 9.066 ( -2.035 -6.519 -0.562) 6.852 9.425 ( 4.841 -4.725 1.018) 6.841 9.552 ( 6.712 8.978 -0.040) 11.210 10.014 ( -5.610 5.161 -3.271) 8.295 10.390 ( 2.786 -1.184 -4.282) 5.243 10.521 ( -1.723 0.737 -6.494) 6.759 10.596 ( 0.923 -6.604 -1.593) 6.856 12.526 ( 1.189 20.359 -0.667) 20.404 12.650 ( -3.659 0.833 -2.514) 4.517 12.790 ( 5.273 0.953 -1.461) 5.554 13.343 ( -0.470 3.606 -1.716) 4.021 13.882 ( 1.485 12.377 -0.686) 12.485 14.173 ( -3.094 -1.098 7.730) 8.398 14.301 ( 2.403 -0.663 -2.876) 3.806 14.471 ( -6.478 -4.692 13.272) 15.496 14.617 ( -8.119 7.845 -3.423) 11.797 14.650 ( 5.549 11.443 -0.186) 12.719 14.732 ( 3.428 5.621 6.488) 9.244 14.823 ( 2.057 5.369 5.620) 8.040 14.834 ( -3.686 8.780 2.608) 9.873 15.276 ( 3.827 5.881 -2.555) 7.467 15.302 ( -1.129 -1.672 -4.233) 4.689 15.522 ( 1.501 -7.380 -3.386) 8.257 15.804 ( -0.712 -0.195 13.180) 13.201 16.058 ( -2.987 2.423 -2.324) 4.494 16.239 ( -6.212 3.426 7.701) 10.471 16.380 ( 0.966 3.994 9.411) 10.268 16.566 ( 10.180 3.094 -11.706) 15.819 16.933 ( -1.546 -11.538 -3.290) 12.097 17.370 ( 2.768 0.994 -11.138) 11.520 17.796 ( 9.257 -5.252 -21.802) 24.261 17.900 ( -7.230 1.112 -2.256) 7.655 18.077 ( -7.392 9.078 -3.951) 12.356 18.317 ( -1.667 -18.955 -4.648) 19.587 18.462 ( 0.548 -9.024 -4.027) 9.897 18.758 ( -1.564 -2.590 8.951) 9.448 18.874 ( 7.357 2.770 5.527) 9.609 19.252 ( 2.393 5.309 -0.626) 5.856 20.156 ( -2.610 -1.238 -4.554) 5.393 20.802 ( -5.082 -5.499 -5.377) 9.218 20.865 ( -0.017 -5.046 -1.064) 5.157 21.117 ( -3.799 0.757 2.510) 4.616 21.201 ( 8.572 -8.470 13.622) 18.188 21.600 ( -1.198 1.826 3.891) 4.462 21.774 ( 5.481 1.557 0.655) 5.735 21.864 ( -6.085 -0.502 -0.089) 6.106 22.160 ( 0.205 -6.433 -1.427) 6.593 ======================= Grid point 91 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -18.346 11.560 9.412) 23.639 2.353 ( 13.634 2.379 -2.803) 14.122 2.624 ( 11.610 18.936 6.789) 23.226 3.132 ( -0.633 -5.791 -13.389) 14.601 3.364 ( -7.096 -9.652 10.374) 15.848 3.684 ( -8.314 -5.301 -3.957) 10.625 3.784 ( 8.950 0.927 6.631) 11.177 3.834 ( 13.774 -4.502 -1.365) 14.555 3.903 ( 7.383 -9.461 4.564) 12.839 4.031 ( -0.503 -21.096 0.447) 21.107 4.126 ( -4.453 -16.845 8.462) 19.370 4.474 ( -0.428 3.772 -1.034) 3.935 4.636 ( 0.659 4.175 0.682) 4.282 4.680 ( -2.718 10.177 -0.783) 10.563 4.725 ( 0.461 15.121 2.427) 15.322 4.814 ( -4.970 13.841 -0.257) 14.709 4.853 ( -8.866 7.383 5.007) 12.577 4.906 ( 0.049 20.360 0.715) 20.372 5.003 ( -2.871 -4.336 5.684) 7.704 5.131 ( 1.470 41.672 1.156) 41.714 5.260 ( 1.043 -4.099 -0.223) 4.236 5.892 ( -23.468 -9.426 3.210) 25.493 5.961 ( -1.764 -42.532 -0.039) 42.569 6.342 ( -1.955 0.830 -7.034) 7.348 6.415 ( 3.232 2.514 0.503) 4.125 6.455 ( 6.205 -4.548 0.152) 7.695 6.496 ( -5.071 -4.482 -1.084) 6.854 6.568 ( 14.137 0.262 6.064) 15.385 6.660 ( -2.806 -1.070 0.302) 3.018 6.812 ( -2.042 -1.117 -3.026) 3.818 6.866 ( -5.745 1.623 -5.080) 7.839 6.971 ( 3.755 1.506 7.264) 8.314 7.170 ( 7.575 -0.923 1.707) 7.820 7.313 ( 17.912 3.372 4.830) 18.856 7.554 ( 0.984 2.056 -1.757) 2.878 7.657 ( -3.100 2.893 -5.451) 6.906 7.885 ( -8.486 -3.315 2.013) 9.330 7.991 ( 6.207 -1.487 3.205) 7.142 8.105 ( 10.878 -8.015 0.958) 13.546 8.290 ( -2.851 -7.560 -3.256) 8.712 8.520 ( -9.769 -10.903 -6.478) 16.008 8.937 ( -2.670 -9.139 1.864) 9.702 8.968 ( -6.327 0.979 -7.326) 9.729 9.085 ( -0.125 -3.333 3.314) 4.701 9.383 ( -0.344 10.067 -1.431) 10.174 9.503 ( 5.749 3.296 3.331) 7.417 9.885 ( 0.123 5.553 -2.303) 6.013 10.423 ( -0.425 -1.480 -4.525) 4.780 10.498 ( 0.819 0.958 -5.978) 6.110 10.684 ( -6.544 -3.787 -6.155) 9.749 12.230 ( 7.934 12.535 3.196) 15.175 12.611 ( -5.164 -0.559 -2.938) 5.967 12.831 ( 7.294 1.154 1.417) 7.519 13.328 ( -2.977 -3.571 -3.102) 5.590 13.728 ( 4.736 5.057 2.112) 7.244 14.213 ( -1.004 -3.553 3.989) 5.435 14.329 ( 0.979 -0.002 -5.140) 5.232 14.359 ( -14.263 3.378 -6.452) 16.015 14.518 ( -1.163 -0.836 7.837) 7.967 14.563 ( -6.498 -5.204 6.366) 10.480 14.605 ( 1.786 4.971 5.748) 7.807 14.755 ( -0.999 -1.022 7.779) 7.909 14.897 ( 11.523 0.470 7.993) 14.032 15.207 ( 6.723 6.010 -6.767) 11.274 15.335 ( 0.033 -2.433 -2.157) 3.251 15.719 ( 1.767 -10.189 -3.985) 11.082 15.799 ( -0.101 1.205 12.803) 12.860 15.992 ( -5.850 0.388 -2.625) 6.424 16.105 ( -7.431 4.425 10.714) 13.769 16.333 ( 2.141 2.732 4.169) 5.425 16.577 ( 7.145 3.465 -8.121) 11.358 17.132 ( -1.752 -9.601 -0.461) 9.771 17.367 ( 5.153 3.143 -14.057) 15.298 17.743 ( -4.216 10.972 -9.061) 14.841 17.848 ( -12.183 1.947 6.862) 14.118 17.966 ( 10.802 -3.982 -21.952) 24.787 18.503 ( 2.156 -2.031 -8.369) 8.878 18.650 ( 2.942 -2.460 1.121) 3.995 18.685 ( -3.024 8.934 -1.569) 9.562 18.817 ( -1.177 0.688 1.503) 2.029 19.212 ( 0.978 1.003 7.411) 7.542 20.131 ( -0.275 2.791 1.042) 2.992 20.837 ( 2.763 -2.102 0.061) 3.472 20.984 ( -2.597 -6.124 -0.789) 6.699 21.073 ( -3.741 -1.877 -0.824) 4.266 21.439 ( 8.344 -6.353 12.564) 16.366 21.551 ( -6.224 0.073 0.889) 6.288 21.786 ( -7.269 2.195 1.155) 7.681 21.796 ( 9.667 3.319 -0.251) 10.224 22.253 ( -1.637 -3.596 -3.507) 5.283 ======================= Grid point 92 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -16.739 16.670 18.261) 29.859 2.281 ( 21.841 23.817 19.608) 37.799 2.557 ( 14.342 0.101 -20.687) 25.173 3.230 ( -6.217 -7.423 -4.600) 10.720 3.471 ( -4.230 -5.208 12.619) 14.292 3.610 ( 0.071 10.480 2.909) 10.877 3.687 ( -4.873 2.765 0.399) 5.617 3.889 ( -4.063 20.734 -6.858) 22.213 4.010 ( 6.520 27.240 3.377) 28.212 4.028 ( 9.785 17.099 2.713) 19.887 4.091 ( -0.672 23.864 -0.994) 23.894 4.239 ( 1.574 23.362 4.616) 23.865 4.333 ( 16.658 11.163 9.590) 22.227 4.372 ( -4.073 4.883 0.719) 6.399 4.642 ( -1.444 -15.795 0.823) 15.882 4.730 ( -4.345 -9.964 4.096) 11.616 4.748 ( -8.681 -0.635 4.252) 9.687 4.840 ( -2.464 -14.444 -2.335) 14.837 4.960 ( -4.205 -7.356 -5.688) 10.205 5.073 ( -0.922 -11.720 -0.404) 11.763 5.391 ( 0.394 -5.031 -1.840) 5.372 5.810 ( -20.029 -5.520 3.379) 21.049 6.015 ( -15.402 5.440 -10.875) 19.624 6.312 ( -10.853 1.189 0.479) 10.929 6.541 ( -2.856 -4.627 -2.845) 6.137 6.594 ( 2.221 -10.027 0.968) 10.316 6.664 ( 1.574 -2.866 -0.191) 3.275 6.796 ( 8.846 -6.150 5.053) 11.900 6.817 ( 2.248 -15.925 6.643) 17.401 6.857 ( 2.210 -7.138 -0.526) 7.491 6.935 ( 4.814 -11.093 2.608) 12.370 7.027 ( 13.990 -2.613 4.977) 15.077 7.248 ( 7.591 0.142 7.318) 10.545 7.380 ( 8.456 1.856 -2.309) 8.960 7.548 ( 12.385 5.590 2.870) 13.888 7.621 ( 5.782 1.974 2.687) 6.674 7.853 ( -9.398 -1.699 1.078) 9.611 8.033 ( 4.026 1.194 2.892) 5.099 8.302 ( 0.354 -3.274 -3.679) 4.937 8.381 ( -1.719 -2.173 -8.732) 9.161 8.629 ( -8.597 -9.173 -5.627) 13.774 8.781 ( -19.074 1.868 -5.072) 19.825 8.900 ( -7.956 0.021 -10.328) 13.037 9.152 ( -8.639 8.950 -1.948) 12.591 9.310 ( 4.559 -6.608 7.853) 11.231 9.418 ( 4.600 9.657 2.747) 11.043 9.821 ( 7.606 4.523 -3.523) 9.525 10.428 ( -4.530 1.283 -7.497) 8.853 10.471 ( -4.083 1.700 -5.704) 7.218 10.585 ( -7.604 3.840 -7.306) 11.222 12.252 ( 16.749 -1.660 2.317) 16.990 12.618 ( 0.377 -5.182 2.723) 5.866 12.869 ( 6.318 1.013 2.020) 6.710 13.402 ( -5.923 -8.008 -4.483) 10.923 13.780 ( 8.573 -2.935 4.059) 9.929 14.235 ( -11.932 -5.736 -9.211) 16.128 14.270 ( -3.417 -1.294 0.094) 3.655 14.340 ( 4.672 -0.859 -1.209) 4.902 14.502 ( -2.359 -0.742 9.346) 9.667 14.600 ( -3.123 -3.519 13.117) 13.935 14.754 ( 1.124 -12.114 3.025) 12.537 14.891 ( 3.191 -15.274 3.125) 15.914 14.951 ( 0.043 -0.327 7.873) 7.880 15.170 ( 10.467 5.511 -7.716) 14.123 15.394 ( 0.290 -4.274 0.377) 4.300 15.762 ( 2.394 3.179 10.524) 11.252 15.867 ( -3.867 -2.112 -0.519) 4.437 15.952 ( -2.634 1.010 6.730) 7.297 16.004 ( -3.857 -3.881 -2.715) 6.109 16.321 ( 2.325 0.718 0.969) 2.619 16.556 ( 3.094 3.202 -2.129) 4.935 17.099 ( -4.103 13.098 -6.246) 15.080 17.329 ( 1.677 0.780 -9.844) 10.016 17.612 ( -1.735 0.031 -2.164) 2.774 17.796 ( -0.374 -3.127 3.927) 5.034 18.096 ( 11.534 1.477 -15.095) 19.054 18.408 ( 2.348 15.283 -6.214) 16.665 18.413 ( -4.026 10.979 -1.352) 11.772 18.639 ( 4.501 3.208 -8.709) 10.315 18.807 ( -5.843 2.634 -3.664) 7.383 19.204 ( 0.084 1.142 11.896) 11.951 20.091 ( 2.617 1.248 3.041) 4.202 20.879 ( -2.752 0.849 3.134) 4.256 21.001 ( 3.324 -0.829 2.554) 4.273 21.200 ( -0.926 -10.125 -2.340) 10.433 21.448 ( -9.539 1.726 -0.259) 9.698 21.599 ( 2.253 -2.851 7.405) 8.249 21.658 ( -6.585 4.974 1.459) 8.381 21.813 ( 10.103 4.207 0.088) 10.944 22.250 ( -3.907 1.140 -5.416) 6.774 ======================= Grid point 96 (43/129) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 32.644 0.000 -18.398) 37.472 1.970 ( 28.082 0.000 13.354) 31.096 2.235 ( 0.314 0.000 -5.591) 5.600 2.462 ( -18.142 -0.000 -7.321) 19.563 2.906 ( -6.309 -0.000 -8.403) 10.508 3.012 ( 0.994 0.000 -3.678) 3.810 3.021 ( -8.060 -0.000 5.633) 9.834 3.168 ( -15.521 -0.000 1.557) 15.599 3.370 ( -10.081 -0.000 3.886) 10.804 3.443 ( -9.187 -0.000 -3.689) 9.900 3.644 ( -6.596 -0.000 4.776) 8.143 3.882 ( -1.920 -0.000 11.404) 11.565 4.100 ( 26.841 0.000 9.858) 28.594 4.241 ( 45.783 0.000 18.083) 49.225 4.517 ( 11.043 0.000 12.519) 16.694 4.956 ( -25.681 -0.000 1.960) 25.755 4.983 ( -6.824 -0.000 11.219) 13.132 5.647 ( 15.602 0.000 -17.068) 23.124 5.774 ( 7.282 0.000 0.814) 7.327 5.836 ( -31.674 -0.000 -2.214) 31.752 5.941 ( 8.398 0.000 5.192) 9.873 6.081 ( 10.308 0.000 -16.998) 19.879 6.105 ( 18.358 0.000 9.906) 20.861 6.453 ( 0.378 0.000 -5.380) 5.393 6.536 ( -13.980 -0.000 -6.110) 15.257 6.580 ( 4.589 0.000 -5.673) 7.296 6.601 ( -3.744 -0.000 1.642) 4.089 6.657 ( 1.656 0.000 0.666) 1.785 6.788 ( 0.468 0.000 0.309) 0.561 7.021 ( -6.089 -0.000 3.070) 6.820 7.105 ( -0.594 -0.000 -1.601) 1.708 7.206 ( -5.023 -0.000 6.226) 8.000 7.216 ( -16.835 -0.000 -7.469) 18.418 7.336 ( -2.568 -0.000 0.429) 2.603 7.417 ( -10.575 -0.000 4.963) 11.681 7.554 ( 6.792 0.000 3.111) 7.471 7.668 ( 1.847 0.000 2.593) 3.183 7.682 ( -4.238 -0.000 10.707) 11.515 7.948 ( -13.348 -0.000 -5.023) 14.262 8.216 ( -9.037 -0.000 7.134) 11.514 8.255 ( 1.784 0.000 1.979) 2.664 8.357 ( 20.701 0.000 13.215) 24.560 8.512 ( 0.904 0.000 -0.744) 1.171 8.608 ( -16.271 -0.000 -10.826) 19.544 8.845 ( 12.569 0.000 -3.496) 13.046 9.751 ( 14.149 0.000 1.762) 14.259 10.238 ( -5.209 -0.000 -6.614) 8.419 10.300 ( 7.881 0.000 -5.131) 9.404 10.453 ( 1.745 0.000 2.847) 3.339 10.565 ( -2.329 -0.000 -5.511) 5.983 12.580 ( 6.412 0.000 2.409) 6.850 12.773 ( -2.572 -0.000 -8.944) 9.306 13.688 ( 1.497 0.000 0.159) 1.505 13.770 ( 1.070 0.000 -3.423) 3.586 13.847 ( -5.011 -0.000 -3.961) 6.388 14.178 ( 1.008 0.000 1.196) 1.564 14.208 ( -8.900 -0.000 10.465) 13.737 14.328 ( -3.342 -0.000 6.717) 7.502 14.637 ( 22.817 0.000 9.785) 24.826 14.661 ( 2.081 0.000 -4.770) 5.204 15.020 ( -0.131 -0.000 -0.205) 0.243 15.159 ( -24.401 -0.000 -7.408) 25.501 15.167 ( -4.301 -0.000 0.014) 4.301 15.240 ( -2.726 -0.000 5.152) 5.828 16.089 ( 4.023 0.000 3.240) 5.165 16.187 ( -0.686 -0.000 -2.595) 2.684 16.308 ( -1.778 -0.000 1.283) 2.192 16.434 ( 4.751 0.000 3.754) 6.056 16.443 ( -3.326 -0.000 1.420) 3.617 16.629 ( 1.823 0.000 -4.999) 5.321 16.862 ( -7.394 -0.000 5.343) 9.123 17.171 ( -0.377 -0.000 -0.140) 0.402 17.261 ( 0.428 0.000 0.229) 0.485 17.411 ( 6.659 0.000 -19.858) 20.945 17.413 ( -10.061 -0.000 15.630) 18.589 17.556 ( -0.617 -0.000 -0.014) 0.617 17.926 ( 0.786 0.000 -0.180) 0.807 17.998 ( 12.301 0.000 -29.371) 31.843 18.440 ( -6.217 -0.000 -11.384) 12.971 18.615 ( 3.729 0.000 6.153) 7.195 19.342 ( 7.923 0.000 -8.467) 11.596 19.914 ( -5.558 -0.000 -5.221) 7.626 20.363 ( 6.921 0.000 15.201) 16.703 20.555 ( -2.157 -0.000 -1.034) 2.392 21.088 ( 2.160 0.000 3.715) 4.297 21.218 ( -5.244 -0.000 2.062) 5.634 21.636 ( 1.630 0.000 0.828) 1.828 21.702 ( -1.556 -0.000 3.741) 4.052 21.838 ( 1.061 0.000 0.891) 1.386 22.046 ( -0.462 -0.000 2.046) 2.097 ======================= Grid point 97 (44/129) ======================= q-point: ( 0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 28.182 -1.238 -20.392) 34.808 2.355 ( 7.979 -15.224 4.435) 17.751 2.444 ( -3.783 -16.753 0.355) 17.179 2.718 ( -1.455 -36.282 -0.470) 36.314 2.775 ( -16.865 -3.857 18.547) 25.363 2.981 ( -5.137 -4.891 -9.973) 12.238 3.102 ( -0.877 -8.339 -2.962) 8.892 3.127 ( -3.171 -4.292 -7.991) 9.609 3.326 ( -8.667 -4.624 1.910) 10.008 3.419 ( 1.887 0.151 -0.489) 1.956 3.589 ( -1.501 0.204 12.921) 13.010 3.904 ( 8.027 1.081 4.475) 9.253 4.387 ( 25.064 -4.264 8.131) 26.692 4.433 ( 2.657 -1.524 6.874) 7.526 4.740 ( -22.035 -1.081 4.276) 22.472 4.869 ( 12.278 -5.535 11.431) 17.665 5.024 ( 28.208 -7.384 24.052) 37.798 5.479 ( -48.125 -5.367 -8.587) 49.179 5.655 ( 3.110 14.867 -3.152) 15.512 5.687 ( 1.330 5.839 -9.448) 11.186 5.858 ( 4.590 15.372 2.424) 16.225 6.142 ( 8.344 2.809 -12.301) 15.128 6.250 ( 11.306 12.004 2.003) 16.611 6.329 ( 14.826 11.305 2.585) 18.823 6.414 ( -11.836 0.386 -10.070) 15.545 6.483 ( -6.953 2.900 -3.407) 8.269 6.616 ( 1.724 0.015 5.673) 5.929 6.758 ( 4.525 -0.994 0.488) 4.659 6.875 ( -3.590 -2.117 -0.273) 4.176 6.930 ( -4.867 -4.645 3.141) 7.425 7.029 ( -0.542 3.620 -4.945) 6.153 7.162 ( 0.596 2.917 0.574) 3.032 7.175 ( -5.739 1.980 4.900) 7.802 7.326 ( 1.815 -9.342 -3.941) 10.300 7.451 ( -4.599 -4.612 -0.293) 6.519 7.571 ( -0.682 0.495 -1.236) 1.496 7.638 ( 1.453 0.737 3.572) 3.926 7.780 ( -10.181 3.169 -2.176) 10.882 7.841 ( 7.172 -8.502 11.413) 15.937 8.103 ( -3.161 4.795 -0.784) 5.797 8.128 ( -12.060 -1.309 7.902) 14.477 8.458 ( -3.012 0.305 -0.221) 3.035 8.687 ( 0.379 -9.811 0.847) 9.855 8.800 ( 9.094 -18.821 4.499) 21.382 8.953 ( 5.591 -4.880 -5.146) 9.031 9.809 ( 5.640 3.578 -0.285) 6.685 10.176 ( -1.583 2.597 -4.809) 5.690 10.358 ( 4.032 -0.704 -4.850) 6.346 10.452 ( -1.528 -0.113 -0.115) 1.537 10.543 ( -2.128 -0.024 -5.827) 6.203 12.600 ( -3.634 -0.814 -2.644) 4.567 12.787 ( 6.364 0.100 -3.402) 7.216 13.441 ( 1.482 22.153 -2.187) 22.310 13.620 ( 0.364 7.559 -0.623) 7.593 13.974 ( -1.168 -4.161 2.694) 5.092 14.189 ( -5.064 -3.574 3.348) 7.044 14.239 ( 1.010 -3.098 7.123) 7.833 14.368 ( -0.876 -5.147 6.436) 8.288 14.731 ( 3.709 -4.144 -7.682) 9.483 14.817 ( 19.983 2.247 8.088) 21.674 14.917 ( -20.908 1.917 -6.246) 21.905 15.008 ( -2.017 1.708 -1.683) 3.134 15.127 ( -4.398 0.577 0.166) 4.438 15.216 ( -0.437 0.982 2.778) 2.979 15.879 ( 0.452 22.052 2.573) 22.206 16.085 ( -6.655 16.423 13.834) 22.481 16.145 ( -5.339 10.574 1.368) 11.924 16.206 ( -2.762 17.547 -4.206) 18.254 16.454 ( 3.599 8.238 3.351) 9.594 16.491 ( 0.198 9.566 4.724) 10.671 16.620 ( 3.081 0.653 -3.984) 5.079 16.904 ( 2.244 17.952 -5.316) 18.856 17.365 ( 2.725 -3.847 -11.287) 12.232 17.513 ( -0.607 -15.689 -2.191) 15.852 17.615 ( 4.300 -9.855 -13.409) 17.188 17.741 ( -0.417 -22.123 -1.172) 22.158 17.898 ( 0.823 -0.268 -1.691) 1.900 18.318 ( -5.220 0.420 -9.551) 10.893 18.490 ( -2.340 -18.289 0.894) 18.460 18.680 ( 3.535 -4.959 2.242) 6.490 19.417 ( 8.532 0.330 -9.254) 12.592 19.932 ( -10.459 -7.722 -7.025) 14.778 20.488 ( 4.474 -4.590 2.793) 6.992 20.607 ( 4.022 -7.730 9.152) 12.637 21.104 ( 3.574 1.276 4.263) 5.707 21.166 ( -4.502 0.819 3.516) 5.771 21.648 ( -4.391 0.045 -0.193) 4.396 21.715 ( 0.208 -4.349 1.641) 4.653 21.830 ( 0.738 1.431 1.375) 2.118 22.047 ( 1.212 0.328 2.851) 3.115 ======================= Grid point 98 (45/129) ======================= q-point: (-0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 12.847 0.564 -18.930) 22.885 2.496 ( -10.494 -0.607 9.856) 14.410 2.596 ( -16.812 -11.275 11.252) 23.160 2.969 ( 15.944 -23.054 5.190) 28.507 3.081 ( 2.442 -7.915 -18.805) 20.549 3.209 ( -4.508 -11.744 2.979) 12.928 3.288 ( -0.906 -11.132 -5.471) 12.437 3.360 ( 1.136 -3.320 2.602) 4.368 3.405 ( 0.323 -5.526 3.280) 6.434 3.626 ( -2.357 -18.233 10.006) 20.932 3.865 ( 16.639 -39.971 7.538) 43.948 3.978 ( 13.000 -0.475 4.435) 13.744 4.429 ( -3.511 -1.260 3.485) 5.104 4.630 ( -17.514 -6.158 3.238) 18.846 4.723 ( 20.604 -6.028 9.788) 23.594 4.870 ( -9.017 -2.430 9.900) 13.610 5.232 ( -39.221 -9.034 -8.839) 41.207 5.277 ( -1.482 21.961 0.832) 22.027 5.381 ( -4.868 6.446 -0.610) 8.100 5.512 ( -5.233 15.913 0.927) 16.777 5.692 ( 20.426 2.422 5.872) 21.391 5.857 ( -1.949 23.185 2.625) 23.414 6.137 ( 5.752 8.420 -8.128) 13.041 6.280 ( 19.972 9.131 8.306) 23.479 6.318 ( -7.615 -0.279 -10.399) 12.892 6.407 ( -6.239 -0.674 -8.440) 10.517 6.617 ( 2.557 2.296 4.109) 5.357 6.721 ( -1.554 7.481 2.618) 8.077 6.775 ( 0.684 2.461 -0.992) 2.740 6.953 ( -1.538 6.621 4.183) 7.981 7.023 ( 4.759 1.365 2.456) 5.526 7.118 ( 9.190 1.479 -0.112) 9.309 7.195 ( 2.068 -0.390 4.394) 4.872 7.407 ( 2.795 6.159 -6.648) 9.483 7.524 ( -8.080 -3.665 -2.423) 9.197 7.578 ( 4.562 -6.302 -4.458) 8.966 7.687 ( -2.131 -7.743 -0.319) 8.037 7.764 ( 1.655 -6.818 -1.390) 7.153 7.955 ( 1.671 0.810 -0.560) 1.939 8.042 ( -6.251 -1.767 1.651) 6.702 8.244 ( 6.000 -11.411 16.078) 20.609 8.484 ( -5.179 -8.228 1.972) 9.920 8.847 ( -1.990 -7.652 -0.068) 7.907 8.960 ( -3.438 -2.587 -7.086) 8.290 9.290 ( 8.458 -15.632 4.934) 18.446 9.709 ( -5.883 6.489 -3.241) 9.339 10.117 ( 5.260 5.709 -1.120) 7.843 10.388 ( 0.621 -0.536 -4.605) 4.678 10.455 ( -5.419 -4.063 -3.844) 7.788 10.530 ( -0.375 -0.258 -5.557) 5.576 12.567 ( -6.864 -1.240 -5.445) 8.849 12.846 ( 8.080 1.567 0.223) 8.234 13.037 ( 5.871 23.682 1.471) 24.443 13.451 ( -1.942 8.681 -2.397) 9.213 14.021 ( 1.285 -1.281 2.921) 3.439 14.178 ( -2.927 2.260 4.492) 5.818 14.303 ( 1.305 -2.103 4.460) 5.101 14.393 ( -1.891 2.331 7.671) 8.237 14.624 ( -21.675 6.515 -10.367) 24.894 14.781 ( 1.168 2.263 -1.027) 2.746 14.895 ( 1.787 7.967 -3.599) 8.923 14.979 ( 15.403 4.912 7.210) 17.702 15.064 ( -1.795 4.117 3.137) 5.478 15.260 ( 1.581 -6.248 0.842) 6.499 15.415 ( 2.310 21.101 -0.591) 21.235 15.700 ( 4.271 20.059 1.851) 20.592 15.816 ( -5.139 4.954 16.636) 18.102 16.053 ( -8.214 2.673 -8.550) 12.154 16.269 ( -5.134 5.756 7.843) 11.000 16.454 ( 1.960 3.170 6.950) 7.886 16.685 ( 5.328 -3.237 -6.217) 8.804 16.775 ( 0.673 1.525 -5.437) 5.686 17.413 ( 5.191 0.230 -15.944) 16.769 17.729 ( 2.999 -6.674 -13.904) 15.712 17.875 ( -0.818 -0.527 -4.668) 4.769 17.924 ( 1.166 -18.464 -4.205) 18.973 18.154 ( -3.607 -7.634 -9.514) 12.720 18.175 ( -8.596 -7.079 -1.635) 11.255 18.659 ( -5.265 -5.275 16.716) 18.303 18.889 ( 6.263 -8.259 0.548) 10.380 19.420 ( 6.299 6.964 -3.631) 10.067 20.003 ( -8.832 -9.554 -11.862) 17.606 20.590 ( -1.131 -6.636 -4.016) 7.838 20.853 ( 7.289 -5.936 6.086) 11.198 21.126 ( 2.418 1.080 4.295) 5.046 21.144 ( 3.734 -4.025 11.291) 12.555 21.586 ( -6.420 1.037 -0.780) 6.550 21.775 ( -4.831 -1.426 0.610) 5.074 21.851 ( 4.908 -2.387 2.161) 5.870 22.067 ( 0.853 -2.015 0.895) 2.365 ======================= Grid point 99 (46/129) ======================= q-point: (-0.25 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -10.768 9.936 1.823) 14.764 2.492 ( 14.428 0.862 -6.808) 15.977 2.726 ( -15.317 -13.937 0.880) 20.727 3.190 ( 9.851 4.762 -4.684) 11.902 3.249 ( 10.546 3.850 6.108) 12.781 3.455 ( -4.452 -10.147 -3.732) 11.693 3.542 ( -6.576 -23.337 9.644) 26.093 3.584 ( 6.292 -23.014 2.215) 23.961 3.674 ( 6.084 -17.376 -0.829) 18.429 3.898 ( 9.761 -10.883 14.209) 20.386 4.031 ( 10.724 4.700 10.704) 15.864 4.432 ( -3.136 -3.668 -5.817) 7.558 4.652 ( -6.759 -6.988 0.252) 9.725 4.775 ( -8.443 -3.621 7.626) 11.940 4.822 ( -1.461 -7.151 2.815) 7.822 4.933 ( 3.214 -0.851 3.954) 5.167 4.975 ( 0.300 3.774 1.150) 3.957 5.068 ( -7.392 -5.102 -3.641) 9.692 5.105 ( -0.484 6.594 -1.742) 6.837 5.311 ( -34.339 -16.080 -0.684) 37.923 5.402 ( -2.837 19.165 4.521) 19.895 5.422 ( -5.666 21.338 -0.273) 22.079 5.848 ( 3.043 26.609 -1.921) 26.852 6.293 ( -3.285 -2.304 -9.487) 10.300 6.362 ( -7.983 -3.180 -3.179) 9.162 6.506 ( -4.836 8.364 1.812) 9.830 6.573 ( 19.234 1.379 6.878) 20.473 6.640 ( 3.890 1.171 0.450) 4.087 6.769 ( 16.902 0.146 2.809) 17.134 6.833 ( -0.526 4.723 1.624) 5.022 6.969 ( 0.290 14.964 -0.817) 14.989 7.053 ( 6.556 1.459 4.965) 8.352 7.220 ( 7.364 -1.427 4.374) 8.683 7.405 ( 0.109 -1.401 -8.211) 8.330 7.551 ( -4.074 -4.478 -1.062) 6.147 7.641 ( 3.725 -1.486 -2.658) 4.811 7.853 ( 11.180 -0.034 3.153) 11.616 7.975 ( 0.905 -9.721 -2.380) 10.049 8.033 ( 10.128 -8.386 -0.552) 13.161 8.080 ( -2.719 -6.659 0.747) 7.231 8.393 ( 1.721 -2.174 5.465) 6.128 8.675 ( -9.038 -12.423 -1.853) 15.474 8.884 ( -13.229 -0.108 -9.804) 16.466 9.008 ( 6.622 -6.841 8.504) 12.766 9.482 ( -11.219 6.560 -2.582) 13.250 9.544 ( 2.715 -3.100 2.272) 4.706 10.049 ( 7.670 7.150 -1.290) 10.565 10.391 ( -2.121 -0.774 -4.883) 5.379 10.491 ( -4.358 -3.520 -5.256) 7.682 10.552 ( -1.249 -2.884 -4.831) 5.764 12.529 ( -4.522 0.715 -4.008) 6.085 12.641 ( 7.051 19.360 1.866) 20.688 12.908 ( 4.949 1.186 1.391) 5.276 13.303 ( -3.044 3.900 -3.275) 5.933 13.953 ( 6.590 12.031 2.682) 13.977 14.140 ( -1.526 -2.774 3.888) 5.014 14.288 ( -16.067 4.261 -6.007) 17.674 14.340 ( 0.094 -0.109 -3.514) 3.517 14.403 ( -5.888 -2.858 10.979) 12.782 14.652 ( -1.288 11.483 -2.045) 11.734 14.741 ( 0.641 4.160 4.052) 5.842 14.809 ( -1.408 12.119 5.953) 13.575 15.063 ( 13.012 5.053 8.971) 16.593 15.299 ( 1.469 -0.788 -4.404) 4.709 15.381 ( 7.138 2.383 -0.230) 7.529 15.576 ( 5.165 -4.695 -3.137) 7.653 15.793 ( -1.556 -1.767 16.129) 16.300 15.930 ( -10.417 1.363 -9.154) 13.935 16.130 ( -6.152 4.529 10.347) 12.862 16.405 ( 1.033 3.419 4.711) 5.912 16.704 ( 3.584 4.398 -4.847) 7.462 16.900 ( -0.528 -12.791 -2.644) 13.072 17.453 ( 7.908 0.829 -18.762) 20.378 17.758 ( -6.535 -0.091 -0.092) 6.536 17.886 ( -10.559 7.557 -11.315) 17.223 17.976 ( 8.642 -2.316 -16.608) 18.864 18.297 ( -0.331 -17.825 -4.712) 18.441 18.478 ( 1.055 -13.622 -4.158) 14.281 18.666 ( -9.112 -2.033 11.464) 14.785 18.998 ( 5.828 4.303 7.609) 10.506 19.286 ( 0.497 7.859 0.057) 7.875 20.109 ( -1.915 -5.758 -6.677) 9.023 20.715 ( -2.926 -8.361 -3.511) 9.528 20.912 ( 4.390 0.181 0.684) 4.446 21.106 ( 2.116 2.500 3.337) 4.676 21.382 ( 9.665 -8.661 14.235) 19.262 21.501 ( -7.578 1.419 -0.416) 7.721 21.735 ( -6.792 0.097 0.727) 6.832 21.927 ( 7.972 0.341 1.508) 8.120 22.141 ( -1.818 -5.423 -2.329) 6.176 ======================= Grid point 100 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -5.792 14.384 4.327) 16.099 2.620 ( 14.721 -0.239 -15.562) 21.422 2.818 ( -4.108 -3.678 3.202) 6.376 3.086 ( 11.888 12.035 14.577) 22.330 3.356 ( 2.752 -5.727 -2.293) 6.755 3.541 ( -6.098 -5.208 -0.713) 8.051 3.756 ( -20.196 -13.789 7.881) 25.693 3.896 ( 0.998 9.371 12.307) 15.500 4.122 ( 8.027 -19.629 0.812) 21.223 4.129 ( 16.199 -12.729 -4.135) 21.012 4.230 ( 11.346 -12.443 10.132) 19.652 4.422 ( -6.036 4.768 -5.916) 9.704 4.589 ( -4.709 9.366 -0.383) 10.490 4.604 ( -6.916 17.788 0.070) 19.086 4.689 ( -9.791 12.179 4.458) 16.250 4.725 ( -0.844 11.034 2.083) 11.260 4.753 ( -4.883 8.572 5.417) 11.255 4.831 ( 2.442 -1.549 -7.679) 8.205 4.989 ( 0.224 1.411 4.424) 4.648 5.174 ( 3.023 33.237 1.781) 33.421 5.366 ( 7.989 -0.576 3.771) 8.853 5.478 ( -17.076 -19.739 1.157) 26.126 5.918 ( -1.872 -18.476 0.871) 18.591 6.216 ( -6.712 2.312 -2.347) 7.477 6.294 ( -3.992 0.266 -0.122) 4.003 6.397 ( -4.240 -6.480 -4.660) 9.037 6.477 ( -4.852 -2.103 -3.290) 6.229 6.658 ( 1.239 -0.428 -0.824) 1.548 6.772 ( -2.670 -0.986 -0.210) 2.854 6.826 ( 2.544 0.434 -1.747) 3.116 6.926 ( -0.570 2.577 10.493) 10.820 7.206 ( 21.383 -1.306 4.564) 21.904 7.329 ( 10.708 -1.190 7.790) 13.296 7.421 ( 3.386 -1.442 -8.100) 8.897 7.575 ( -6.220 -3.293 -3.894) 8.043 7.726 ( 11.115 0.560 -0.773) 11.156 7.912 ( 9.476 3.534 4.372) 11.018 8.116 ( 5.633 -2.927 4.277) 7.655 8.183 ( -4.202 -5.928 -5.298) 8.993 8.305 ( 7.379 -5.507 -0.984) 9.260 8.448 ( -2.010 -5.101 0.123) 5.484 8.652 ( -18.621 2.894 -3.224) 19.119 8.769 ( -6.304 -5.182 -10.577) 13.359 9.190 ( -10.232 4.258 0.648) 11.102 9.258 ( 1.453 -1.585 5.656) 6.051 9.546 ( -1.464 2.871 0.669) 3.291 10.002 ( 10.018 5.679 -3.036) 11.909 10.380 ( -4.202 -1.294 -4.764) 6.483 10.485 ( -3.013 1.334 -4.071) 5.237 10.577 ( -0.615 -0.679 -5.415) 5.492 12.404 ( 7.476 6.894 0.404) 10.177 12.549 ( -0.986 -1.726 -1.044) 2.245 12.919 ( 1.248 0.617 0.436) 1.459 13.263 ( -2.460 -2.018 -2.556) 4.082 13.870 ( 11.070 3.806 5.801) 13.065 14.045 ( -15.176 0.066 -9.115) 17.703 14.219 ( -1.187 -2.257 1.220) 2.827 14.355 ( -0.623 -0.320 1.913) 2.037 14.455 ( -0.753 -1.689 10.553) 10.714 14.555 ( 1.442 -4.493 -2.286) 5.243 14.619 ( -0.054 3.704 3.570) 5.145 14.755 ( 0.111 -2.986 7.580) 8.148 15.023 ( 0.459 5.905 10.885) 12.392 15.342 ( 1.027 -1.554 -3.243) 3.740 15.368 ( 9.982 4.503 -2.492) 11.231 15.772 ( -0.396 -3.769 -6.409) 7.445 15.802 ( -1.220 -0.613 7.606) 7.727 15.861 ( -1.030 -5.756 -1.326) 5.996 16.002 ( -4.933 4.233 10.597) 12.432 16.359 ( 0.430 2.024 1.855) 2.779 16.632 ( -1.826 3.584 0.392) 4.042 17.106 ( 0.341 -6.252 -5.633) 8.422 17.474 ( 6.511 6.674 -18.760) 20.949 17.614 ( -8.915 5.340 -3.134) 10.854 17.741 ( 0.503 -3.118 -0.423) 3.186 18.147 ( 11.210 -4.674 -18.252) 21.923 18.488 ( -5.228 0.785 0.890) 5.361 18.580 ( -3.791 -4.107 -3.315) 6.498 18.725 ( 1.862 -5.003 -4.417) 6.929 18.806 ( 0.396 15.015 4.045) 15.555 19.221 ( -0.759 0.623 7.280) 7.346 20.142 ( 1.256 1.035 0.903) 1.861 20.832 ( -3.031 -6.324 -2.513) 7.449 20.983 ( 3.182 -1.541 4.661) 5.850 21.105 ( 6.401 -1.170 0.844) 6.562 21.390 ( -9.945 1.651 -1.591) 10.206 21.558 ( 0.154 -2.400 7.509) 7.884 21.665 ( -3.233 0.843 4.806) 5.853 21.981 ( 9.615 2.682 -0.049) 9.982 22.195 ( -4.279 -2.673 -4.274) 6.612 ======================= Grid point 105 (48/129) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -22.759 -0.000 -5.586) 23.435 2.086 ( 23.287 0.000 -20.928) 31.309 2.269 ( 3.982 0.000 -1.914) 4.418 2.465 ( 23.596 0.000 11.613) 26.299 2.629 ( -15.660 -0.000 11.974) 19.713 2.795 ( -20.078 -0.000 13.552) 24.224 3.040 ( 2.959 0.000 -6.560) 7.197 3.107 ( 3.317 0.000 -19.095) 19.381 3.195 ( -9.902 -0.000 0.651) 9.924 3.478 ( 14.514 0.000 5.195) 15.416 3.652 ( 10.853 0.000 14.260) 17.920 4.002 ( 11.740 0.000 -1.206) 11.801 4.413 ( -4.521 -0.000 10.398) 11.339 4.509 ( -24.571 -0.000 6.003) 25.294 4.604 ( 28.721 0.000 10.185) 30.473 4.796 ( -17.269 -0.000 7.052) 18.653 4.969 ( -43.680 -0.000 3.173) 43.795 5.318 ( 35.715 0.000 15.786) 39.048 5.726 ( 4.681 0.000 -13.488) 14.277 5.830 ( -2.162 -0.000 -0.291) 2.182 6.008 ( -7.677 -0.000 0.768) 7.716 6.210 ( 6.714 0.000 -13.901) 15.437 6.329 ( -0.551 -0.000 -7.470) 7.491 6.367 ( -10.804 -0.000 -9.728) 14.538 6.465 ( 0.973 0.000 -3.151) 3.298 6.641 ( 5.385 0.000 2.833) 6.085 6.659 ( -0.331 -0.000 1.397) 1.435 6.823 ( 3.691 0.000 -1.337) 3.926 6.824 ( 26.574 0.000 21.023) 33.885 6.879 ( 0.613 0.000 1.898) 1.994 7.043 ( -7.107 -0.000 2.428) 7.510 7.146 ( -1.783 -0.000 2.638) 3.184 7.220 ( 13.439 0.000 -11.252) 17.528 7.274 ( -3.836 -0.000 0.114) 3.838 7.312 ( -0.333 -0.000 -0.022) 0.334 7.578 ( -1.631 -0.000 1.775) 2.411 7.698 ( -10.484 -0.000 -4.102) 11.258 7.735 ( 6.174 0.000 19.363) 20.323 7.847 ( 11.544 0.000 2.039) 11.722 7.998 ( -12.089 -0.000 7.899) 14.441 8.161 ( -7.418 -0.000 -6.035) 9.563 8.245 ( -22.363 -0.000 -12.340) 25.542 8.683 ( 13.370 0.000 12.510) 18.310 8.719 ( 15.486 0.000 9.572) 18.206 8.923 ( -4.159 -0.000 -8.732) 9.672 9.833 ( -6.922 -0.000 -3.816) 7.904 10.224 ( 6.617 0.000 -2.410) 7.042 10.372 ( 1.018 0.000 -4.932) 5.036 10.420 ( -6.060 -0.000 -1.807) 6.323 10.524 ( -1.321 -0.000 -6.154) 6.295 12.538 ( -7.202 -0.000 -6.102) 9.439 12.858 ( 8.518 0.000 0.170) 8.520 13.677 ( -1.680 -0.000 -1.699) 2.390 13.795 ( 2.457 0.000 -3.811) 4.534 13.901 ( 9.975 0.000 5.421) 11.353 14.052 ( -7.846 -0.000 8.571) 11.620 14.233 ( 2.195 0.000 8.077) 8.370 14.313 ( 1.725 0.000 1.639) 2.379 14.695 ( 1.957 0.000 -8.637) 8.856 14.721 ( -24.370 -0.000 -7.935) 25.629 14.970 ( -4.090 -0.000 -0.778) 4.163 15.048 ( 22.845 0.000 9.050) 24.573 15.136 ( 0.133 0.000 1.911) 1.916 15.248 ( 2.735 0.000 0.428) 2.768 16.024 ( -11.976 -0.000 16.122) 20.084 16.086 ( -9.319 -0.000 -9.892) 13.590 16.249 ( -4.732 -0.000 0.039) 4.732 16.425 ( 1.356 0.000 -3.396) 3.657 16.525 ( 4.141 0.000 6.240) 7.489 16.679 ( 1.186 0.000 1.215) 1.698 16.758 ( -2.089 -0.000 -0.708) 2.206 17.173 ( 0.622 0.000 0.437) 0.760 17.258 ( -0.753 -0.000 -0.474) 0.890 17.287 ( -5.795 -0.000 8.313) 10.134 17.530 ( 8.495 0.000 -23.725) 25.200 17.554 ( 0.335 0.000 0.301) 0.451 17.932 ( -0.196 -0.000 -0.381) 0.428 18.174 ( 9.299 0.000 -28.573) 30.048 18.286 ( -9.669 -0.000 -8.166) 12.656 18.639 ( -2.353 -0.000 9.022) 9.324 19.492 ( 10.411 0.000 -10.170) 14.554 19.786 ( -8.843 -0.000 -2.076) 9.083 20.491 ( 4.639 0.000 5.339) 7.073 20.570 ( 5.941 0.000 9.985) 11.619 21.134 ( -4.152 -0.000 4.365) 6.024 21.163 ( 5.380 0.000 4.221) 6.838 21.596 ( -5.742 -0.000 -3.295) 6.621 21.674 ( -1.243 -0.000 1.181) 1.714 21.840 ( -1.302 -0.000 1.520) 2.001 22.078 ( 3.420 0.000 4.664) 5.783 ======================= Grid point 106 (49/129) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -22.154 -11.948 -5.529) 25.771 2.220 ( 1.854 -2.833 -8.347) 9.007 2.570 ( 4.949 1.458 5.437) 7.495 2.659 ( -8.580 -23.878 0.997) 25.392 2.757 ( -4.041 -20.408 7.809) 22.222 2.825 ( 11.912 -21.336 5.714) 25.095 3.123 ( 3.562 -4.251 -8.397) 10.063 3.149 ( 3.772 -3.235 -15.691) 16.459 3.190 ( -6.456 -8.041 -1.581) 10.432 3.682 ( 25.386 -0.079 13.027) 28.533 3.781 ( 22.192 -1.466 15.698) 27.223 4.102 ( 10.258 -0.021 -2.197) 10.490 4.303 ( -23.909 -2.536 15.973) 28.865 4.374 ( -18.564 -5.494 3.740) 19.718 4.588 ( -34.042 -7.375 0.339) 34.833 4.771 ( -11.044 0.517 12.623) 16.781 4.892 ( 26.525 -2.448 10.222) 28.532 5.322 ( -21.371 3.138 -14.340) 25.927 5.633 ( -5.370 15.491 0.339) 16.399 5.800 ( -10.273 11.798 -2.464) 15.837 5.983 ( 37.337 1.337 9.816) 38.629 6.176 ( -6.427 8.115 -4.104) 11.136 6.265 ( -1.470 9.595 -3.829) 10.435 6.322 ( -1.256 -1.414 -12.265) 12.410 6.336 ( 4.631 5.838 -2.646) 7.907 6.580 ( 5.361 5.107 -0.510) 7.422 6.693 ( 5.709 1.828 3.407) 6.896 6.833 ( -0.810 4.653 2.909) 5.547 6.839 ( 4.423 2.581 0.543) 5.150 7.015 ( -1.498 -2.760 2.371) 3.935 7.049 ( 7.688 2.293 13.125) 15.382 7.180 ( 4.810 -2.314 -0.818) 5.400 7.211 ( 3.630 1.041 0.370) 3.794 7.363 ( 2.552 -4.526 -2.059) 5.589 7.470 ( 9.133 -7.606 -6.324) 13.463 7.541 ( -0.873 -1.187 -3.673) 3.957 7.657 ( -0.048 -5.531 -0.848) 5.595 7.750 ( 7.477 11.193 8.294) 15.811 7.902 ( -8.313 -5.249 -5.816) 11.423 8.016 ( -3.712 0.736 0.624) 3.835 8.085 ( 10.212 -11.031 20.904) 25.747 8.220 ( -12.512 -7.562 -7.031) 16.223 8.809 ( 5.882 -1.015 6.932) 9.147 8.858 ( -5.614 -2.679 -5.068) 8.024 9.038 ( 7.981 -16.952 5.759) 19.602 9.707 ( -13.750 3.213 -5.695) 15.226 10.271 ( 9.097 2.786 -0.411) 9.523 10.341 ( -10.464 -0.180 -4.996) 11.597 10.374 ( -1.662 -0.409 -4.169) 4.507 10.519 ( -0.242 -0.493 -6.423) 6.446 12.484 ( -6.459 -0.972 -6.178) 8.991 12.920 ( 5.759 0.293 0.718) 5.811 13.521 ( 6.650 18.402 0.594) 19.576 13.609 ( -1.906 11.242 -2.081) 11.591 13.982 ( 0.948 -2.491 4.779) 5.472 14.135 ( 0.741 -4.153 6.947) 8.127 14.286 ( 2.713 -2.004 4.709) 5.792 14.386 ( 0.586 -3.449 2.975) 4.592 14.500 ( -19.625 1.068 -8.211) 21.300 14.793 ( 3.185 -5.738 -8.256) 10.546 14.931 ( -4.278 -0.524 -2.937) 5.216 15.110 ( 1.721 4.068 1.189) 4.575 15.217 ( 20.017 3.072 8.093) 21.809 15.248 ( 3.300 1.961 -0.413) 3.860 15.824 ( -8.945 10.484 10.341) 17.230 15.925 ( -9.517 14.577 9.630) 19.894 16.002 ( -10.258 9.120 -4.748) 14.524 16.190 ( 0.310 20.620 -2.461) 20.769 16.462 ( -1.217 19.482 0.304) 19.523 16.534 ( 2.094 2.757 5.587) 6.572 16.644 ( 0.267 1.698 -1.561) 2.321 16.938 ( 1.348 12.325 -2.951) 12.745 17.414 ( 3.834 -7.938 -12.668) 15.434 17.509 ( 0.332 -16.574 -2.695) 16.795 17.679 ( 3.851 -12.689 -9.811) 16.495 17.747 ( 1.443 -14.513 -6.492) 15.964 17.902 ( -0.232 1.880 -2.076) 2.810 18.155 ( -10.792 2.835 -11.372) 15.932 18.461 ( -3.595 -12.921 3.274) 13.806 18.701 ( -0.208 -11.389 -0.918) 11.428 19.574 ( 8.641 2.576 -4.310) 9.994 19.750 ( -8.922 -6.226 -6.680) 12.767 20.537 ( 3.429 -1.542 -2.412) 4.467 20.767 ( 10.903 -10.545 12.911) 19.919 21.109 ( -1.469 -1.223 8.127) 8.349 21.198 ( 5.700 1.697 4.450) 7.428 21.539 ( -6.966 0.314 -4.159) 8.119 21.695 ( -2.422 -3.063 1.383) 4.143 21.826 ( -1.421 -0.768 0.601) 1.724 22.097 ( 3.651 1.346 4.338) 5.827 ======================= Grid point 107 (50/129) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -11.367 -0.658 -7.831) 13.819 2.256 ( -18.418 -12.057 7.437) 23.236 2.652 ( 17.267 0.996 -10.537) 20.252 2.944 ( -15.257 -24.867 10.921) 31.152 3.198 ( 5.531 -6.871 -7.294) 11.446 3.242 ( 10.203 -13.350 -3.408) 17.145 3.299 ( 3.781 -10.558 -2.885) 11.580 3.345 ( -0.506 -19.725 -2.481) 19.887 3.489 ( 2.847 -22.095 1.478) 22.326 3.833 ( 25.330 2.743 18.687) 31.596 4.154 ( -16.921 -13.988 -3.703) 22.264 4.195 ( -9.866 -0.654 20.297) 22.577 4.285 ( 23.742 -23.363 14.135) 36.184 4.408 ( -8.112 -12.148 1.470) 14.681 4.517 ( -22.888 -11.049 -2.993) 25.591 4.685 ( -7.194 -0.294 10.085) 12.391 4.968 ( -19.597 5.857 -10.999) 23.223 5.196 ( 12.752 2.965 4.844) 13.959 5.249 ( 2.862 16.562 3.185) 17.107 5.437 ( -6.595 17.894 0.116) 19.071 5.797 ( -5.684 22.267 1.338) 23.019 5.827 ( -4.650 22.967 -1.762) 23.499 6.181 ( -2.958 4.514 -6.063) 8.117 6.241 ( -7.330 2.670 -4.198) 8.859 6.298 ( 5.004 5.649 -8.302) 11.219 6.642 ( 0.231 8.171 2.538) 8.559 6.697 ( 6.007 0.561 2.088) 6.384 6.724 ( 1.382 4.661 1.290) 5.029 6.902 ( 15.314 -0.769 5.400) 16.256 6.962 ( 10.164 3.572 4.392) 11.634 7.110 ( 5.131 -1.755 6.980) 8.839 7.231 ( 6.215 -1.100 4.926) 8.007 7.277 ( 0.733 -0.570 -4.733) 4.823 7.418 ( -0.140 12.866 -1.019) 12.907 7.458 ( 2.876 -2.666 -4.740) 6.152 7.630 ( 2.176 -2.442 1.304) 3.521 7.769 ( 0.647 -9.032 -8.345) 12.314 7.871 ( 12.024 -9.535 -1.893) 15.462 7.968 ( 0.471 -7.189 -2.954) 7.786 8.013 ( 3.878 -2.033 1.440) 4.609 8.261 ( -7.625 -7.532 -2.767) 11.069 8.482 ( 15.841 -10.827 19.279) 27.200 8.742 ( -14.406 -1.303 -9.956) 17.560 8.983 ( 11.513 -4.404 12.020) 17.217 9.390 ( -0.141 -11.482 2.364) 11.724 9.497 ( -13.694 3.850 -4.761) 15.000 10.214 ( -2.444 3.970 -3.302) 5.713 10.322 ( -4.538 -3.623 -4.953) 7.633 10.367 ( -0.438 -0.503 -1.714) 1.839 10.532 ( 0.411 -1.032 -6.675) 6.767 12.462 ( -3.898 -1.776 -4.708) 6.365 12.941 ( 1.738 0.978 -0.011) 1.995 13.142 ( 1.177 25.328 -1.212) 25.384 13.407 ( -0.236 8.494 -1.951) 8.718 14.061 ( 2.349 -3.627 2.642) 5.065 14.165 ( -3.398 0.842 4.380) 5.607 14.250 ( -9.723 5.435 -3.942) 11.815 14.341 ( -0.015 -1.268 4.901) 5.063 14.398 ( 1.087 6.774 -0.474) 6.877 14.752 ( -4.049 5.412 -0.443) 6.774 14.958 ( 5.193 9.981 -4.431) 12.092 15.000 ( -1.768 4.702 2.548) 5.632 15.251 ( 7.422 6.708 6.498) 11.930 15.328 ( 5.818 -7.449 1.809) 9.624 15.475 ( 5.206 17.198 0.902) 17.991 15.721 ( -5.021 3.381 12.238) 13.653 15.742 ( -2.279 8.155 5.499) 10.096 15.877 ( -8.350 5.577 -7.582) 12.582 16.197 ( -3.164 7.721 3.227) 8.946 16.482 ( 0.231 3.885 3.904) 5.513 16.673 ( -4.348 -5.612 -2.346) 7.477 16.819 ( 2.732 3.384 -2.541) 5.037 17.519 ( 8.134 -0.947 -20.876) 22.425 17.698 ( -4.172 -1.902 -2.346) 5.151 17.883 ( -4.677 0.036 -10.706) 11.683 17.945 ( 2.056 -15.812 -2.460) 16.134 18.012 ( -0.788 0.159 -15.582) 15.603 18.141 ( -0.295 -21.810 -3.620) 22.110 18.522 ( -11.420 -4.140 15.400) 19.614 18.970 ( 2.897 -10.881 2.055) 11.446 19.472 ( -2.270 9.585 0.562) 9.866 19.894 ( -1.202 -11.822 -10.403) 15.793 20.618 ( 4.581 -3.191 -1.345) 5.742 20.947 ( 3.689 -1.054 0.643) 3.890 21.188 ( 4.844 2.424 4.085) 6.784 21.295 ( 9.717 -10.312 14.942) 20.591 21.467 ( -5.279 0.852 -1.451) 5.541 21.686 ( -5.530 0.375 1.425) 5.723 21.889 ( -0.657 -6.357 -1.390) 6.540 22.106 ( 3.382 0.645 2.313) 4.147 ======================= Grid point 108 (51/129) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -0.128 9.403 -8.673) 12.792 2.387 ( -19.747 -18.250 7.803) 27.998 2.774 ( 15.252 0.938 -18.289) 23.832 3.178 ( -19.115 -14.918 6.463) 25.094 3.321 ( 0.649 -5.554 4.269) 7.035 3.428 ( -0.081 -6.625 -1.435) 6.779 3.638 ( 22.371 10.249 15.014) 28.826 3.737 ( 7.046 -20.815 -0.574) 21.983 3.792 ( 7.393 -22.435 -1.914) 23.699 4.075 ( -8.819 3.931 15.296) 18.088 4.153 ( 13.418 -13.689 12.892) 23.100 4.325 ( -6.908 -8.722 -8.799) 14.186 4.518 ( -12.481 -9.693 3.762) 16.245 4.607 ( -14.836 -13.979 8.122) 21.943 4.666 ( -19.149 -18.099 -3.446) 26.573 4.788 ( 3.980 2.397 -7.978) 9.232 4.841 ( -0.042 9.058 -1.229) 9.142 5.012 ( 1.562 10.281 5.656) 11.838 5.091 ( -1.381 5.355 3.589) 6.593 5.226 ( 0.960 0.523 -0.864) 1.393 5.336 ( -2.559 22.084 4.002) 22.589 5.460 ( 9.288 3.543 6.392) 11.819 5.938 ( 8.529 18.180 3.790) 20.436 6.191 ( -8.869 -4.822 -0.981) 10.142 6.294 ( 2.635 -2.125 -9.607) 10.186 6.440 ( -2.431 11.138 1.012) 11.445 6.642 ( 0.100 8.617 -1.250) 8.708 6.684 ( 1.158 1.974 -2.451) 3.354 6.840 ( 0.217 9.165 1.093) 9.232 6.933 ( -1.325 17.872 0.531) 17.929 6.979 ( -0.364 4.237 9.322) 10.246 7.259 ( -5.232 -0.852 -3.259) 6.223 7.363 ( 9.421 -2.963 6.077) 11.596 7.430 ( 11.563 -4.782 -2.353) 12.732 7.548 ( 10.456 -2.318 -4.633) 11.669 7.787 ( 7.327 -4.800 -1.696) 8.922 7.839 ( -11.542 -6.185 -6.402) 14.576 8.031 ( -5.263 -4.992 -8.403) 11.101 8.074 ( 1.674 -5.573 -2.302) 6.258 8.267 ( 5.201 -8.923 0.577) 10.344 8.366 ( 11.224 -5.129 7.004) 14.189 8.643 ( -2.800 -0.196 -8.113) 8.585 8.683 ( 9.544 1.328 11.159) 14.744 9.164 ( -5.241 0.732 2.784) 5.979 9.265 ( -0.563 0.938 4.131) 4.273 9.516 ( -6.382 -2.104 -1.976) 7.004 10.152 ( 2.189 2.527 -3.595) 4.909 10.323 ( -3.694 -0.606 -3.837) 5.360 10.429 ( 1.149 -5.061 0.370) 5.203 10.555 ( -0.083 -1.350 -7.043) 7.171 12.478 ( -0.203 -1.870 -2.328) 2.993 12.677 ( -7.799 17.887 -4.852) 20.107 12.922 ( -2.174 0.742 -1.387) 2.683 13.298 ( 3.938 5.118 -0.101) 6.458 13.961 ( -14.119 4.813 -7.477) 16.686 14.114 ( 10.426 10.023 7.286) 16.194 14.178 ( 2.506 -2.544 2.156) 4.171 14.326 ( -1.557 -0.322 8.604) 8.750 14.406 ( 3.493 -4.069 -1.249) 5.506 14.622 ( -2.142 6.273 0.351) 6.638 14.750 ( -0.455 9.579 3.340) 10.155 14.794 ( -0.225 10.560 4.428) 11.453 15.152 ( -3.329 7.598 9.008) 12.245 15.343 ( 1.961 2.450 -1.295) 3.395 15.487 ( 2.452 0.745 0.330) 2.584 15.681 ( 1.838 -8.646 -3.895) 9.659 15.752 ( -0.827 1.893 -5.548) 5.920 15.804 ( 2.050 -3.626 12.925) 13.580 16.057 ( -3.040 5.479 3.873) 7.367 16.407 ( -1.261 3.436 1.655) 4.016 16.640 ( -8.025 1.634 2.356) 8.522 16.958 ( 5.692 -11.089 -5.680) 13.697 17.588 ( 5.817 0.330 -15.812) 16.851 17.658 ( -5.365 5.069 -2.334) 7.741 17.693 ( -5.773 2.005 -12.975) 14.342 18.134 ( 9.792 -5.380 -17.025) 20.364 18.294 ( 0.159 -16.710 -3.461) 17.066 18.443 ( -9.862 -4.593 8.543) 13.833 18.526 ( -2.080 -13.055 -2.652) 13.483 19.085 ( 3.600 4.925 10.217) 11.899 19.244 ( -5.370 7.160 -1.179) 9.027 20.082 ( -0.901 -8.089 -3.928) 9.037 20.707 ( 1.946 -3.250 -0.095) 3.789 21.017 ( 7.404 -1.876 1.396) 7.764 21.175 ( 4.454 1.960 2.540) 5.489 21.349 ( -6.085 2.370 -1.150) 6.630 21.536 ( 0.260 -0.275 7.028) 7.038 21.644 ( 0.212 -2.031 6.646) 6.953 22.000 ( -1.597 -5.711 -3.116) 6.699 22.143 ( 4.077 -0.790 0.008) 4.153 ======================= Grid point 114 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -27.550 -0.000 -2.685) 27.681 2.112 ( -17.504 -0.000 -8.800) 19.591 2.354 ( 5.967 0.000 0.594) 5.996 2.394 ( -21.569 -0.000 13.200) 25.288 2.716 ( 19.669 0.000 -11.463) 22.766 2.847 ( 17.462 0.000 10.186) 20.215 3.043 ( -6.183 -0.000 -1.725) 6.419 3.104 ( 4.644 0.000 -8.440) 9.634 3.175 ( 5.851 0.000 -18.385) 19.294 3.797 ( -37.544 -0.000 5.704) 37.975 3.948 ( 21.413 0.000 17.561) 27.693 4.045 ( 24.981 0.000 24.478) 34.975 4.084 ( -24.007 -0.000 9.496) 25.817 4.253 ( 12.508 0.000 2.533) 12.762 4.425 ( -7.525 -0.000 4.661) 8.851 4.696 ( -9.165 -0.000 12.321) 15.356 5.130 ( -26.750 -0.000 -16.016) 31.178 5.136 ( 30.611 0.000 10.784) 32.455 5.666 ( -15.354 -0.000 -7.116) 16.923 5.830 ( -6.332 -0.000 -1.638) 6.540 6.086 ( -15.192 -0.000 -1.930) 15.314 6.269 ( 0.108 0.000 -10.765) 10.765 6.389 ( 2.164 0.000 -6.928) 7.258 6.447 ( 8.547 0.000 0.493) 8.561 6.483 ( 40.656 0.000 15.124) 43.378 6.599 ( -4.370 -0.000 -1.990) 4.801 6.769 ( 5.591 0.000 -1.541) 5.799 6.882 ( -5.214 -0.000 6.983) 8.715 6.909 ( 5.016 0.000 2.316) 5.525 6.944 ( 4.690 0.000 -0.698) 4.741 7.127 ( -0.673 -0.000 -1.239) 1.410 7.158 ( 2.474 0.000 10.463) 10.752 7.314 ( -0.058 -0.000 -0.353) 0.358 7.333 ( 9.294 0.000 4.335) 10.255 7.448 ( -9.783 -0.000 -2.410) 10.076 7.577 ( 5.249 0.000 -11.654) 12.781 7.633 ( -5.333 -0.000 -17.009) 17.825 7.635 ( 1.671 0.000 0.668) 1.800 7.941 ( 7.702 0.000 35.265) 36.096 8.061 ( 4.376 0.000 -0.335) 4.389 8.072 ( 5.812 0.000 -0.545) 5.837 8.080 ( 9.177 0.000 5.374) 10.634 8.706 ( -15.445 -0.000 -11.449) 19.225 8.904 ( 4.148 0.000 3.886) 5.684 8.933 ( 13.964 0.000 14.278) 19.971 9.598 ( -17.335 -0.000 -6.665) 18.572 10.226 ( -13.247 -0.000 -7.423) 15.185 10.329 ( -5.542 -0.000 -4.757) 7.304 10.394 ( 8.586 0.000 1.490) 8.714 10.507 ( -0.681 -0.000 -7.127) 7.159 12.424 ( -4.512 -0.000 -5.556) 7.157 12.956 ( 1.758 0.000 -0.125) 1.763 13.655 ( -0.827 -0.000 -0.719) 1.096 13.835 ( -0.151 -0.000 -6.052) 6.054 13.963 ( -0.673 -0.000 4.343) 4.394 14.117 ( 6.906 0.000 4.922) 8.480 14.266 ( 1.034 0.000 10.381) 10.433 14.356 ( -9.783 -0.000 -1.698) 9.929 14.377 ( 4.638 0.000 -2.684) 5.358 14.711 ( 0.765 0.000 -9.661) 9.691 14.905 ( -3.489 -0.000 -1.858) 3.953 15.163 ( 2.392 0.000 -1.137) 2.648 15.304 ( 3.276 0.000 -0.144) 3.279 15.434 ( 20.529 0.000 7.254) 21.773 15.773 ( -17.000 -0.000 18.933) 25.445 15.869 ( -14.489 -0.000 -13.231) 19.621 16.141 ( -7.301 -0.000 -0.974) 7.366 16.429 ( -2.069 -0.000 -1.222) 2.403 16.568 ( 0.284 0.000 4.921) 4.929 16.644 ( -0.884 -0.000 -1.416) 1.670 16.823 ( 5.779 0.000 -1.919) 6.089 17.191 ( 1.196 0.000 0.784) 1.430 17.199 ( -5.449 -0.000 3.609) 6.536 17.238 ( -1.201 -0.000 -0.792) 1.439 17.566 ( 0.852 0.000 0.338) 0.916 17.666 ( 9.081 0.000 -24.990) 26.588 17.920 ( -1.051 -0.000 -0.433) 1.136 18.082 ( -10.435 -0.000 -12.227) 16.075 18.282 ( 1.681 0.000 -13.816) 13.918 18.566 ( -4.651 -0.000 0.658) 4.698 19.612 ( -10.782 -0.000 2.642) 11.101 19.682 ( 11.525 0.000 -6.293) 13.131 20.562 ( 5.613 0.000 -2.099) 5.992 20.747 ( 11.105 0.000 15.388) 18.976 21.083 ( -1.538 -0.000 9.133) 9.262 21.263 ( 4.236 0.000 3.394) 5.428 21.483 ( -5.337 -0.000 -4.125) 6.746 21.646 ( -2.148 -0.000 0.555) 2.219 21.803 ( -2.757 -0.000 0.560) 2.814 22.147 ( 3.629 0.000 4.984) 6.165 ======================= Grid point 115 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -26.273 -16.653 -1.649) 31.150 2.120 ( -8.020 -10.518 -7.819) 15.365 2.294 ( -22.332 -14.799 12.197) 29.437 2.757 ( 2.409 -32.407 0.261) 32.497 2.847 ( 17.926 2.298 -12.327) 21.876 3.036 ( 0.131 -11.094 -4.472) 11.962 3.158 ( 7.725 -8.695 0.048) 11.631 3.196 ( 5.659 -6.327 -4.033) 9.398 3.219 ( -1.400 -3.230 -12.993) 13.462 3.464 ( -45.029 -9.740 16.219) 48.842 3.971 ( -20.644 -8.763 10.126) 24.607 4.239 ( 33.855 5.063 19.780) 39.536 4.285 ( 14.222 -0.590 15.874) 21.321 4.341 ( 4.614 -1.698 19.658) 20.264 4.414 ( 13.999 -2.787 -10.909) 17.965 4.635 ( -3.882 -0.224 11.744) 12.371 4.883 ( -15.954 3.488 -11.496) 19.971 5.395 ( 23.962 1.178 9.414) 25.772 5.483 ( -8.279 6.078 -4.933) 11.394 5.649 ( -3.931 13.757 -1.266) 14.364 5.928 ( -19.058 1.572 0.999) 19.149 6.154 ( -6.085 15.314 -4.555) 17.097 6.203 ( -5.732 8.313 -6.580) 12.052 6.342 ( -1.993 8.579 -3.855) 9.614 6.511 ( 6.259 8.046 -1.340) 10.282 6.762 ( -1.319 3.360 -0.150) 3.612 6.782 ( 1.803 4.837 0.354) 5.174 6.836 ( 5.295 6.842 3.438) 9.309 6.990 ( 4.386 0.145 1.759) 4.728 7.090 ( 23.359 -6.484 4.157) 24.596 7.118 ( 3.351 0.666 9.150) 9.767 7.165 ( -3.826 -4.802 -5.456) 8.213 7.290 ( 4.507 -0.536 -0.210) 4.544 7.410 ( -1.694 -5.344 2.962) 6.341 7.446 ( -0.972 -4.183 -3.754) 5.703 7.485 ( -16.030 -7.980 -10.094) 20.556 7.730 ( 1.315 -7.629 2.807) 8.235 7.885 ( 20.100 -4.097 -4.347) 20.969 7.927 ( 10.883 11.810 -0.989) 16.090 8.032 ( 1.759 1.379 2.550) 3.391 8.149 ( 5.245 -6.317 5.671) 9.979 8.428 ( 20.821 -13.547 22.425) 33.465 8.619 ( -2.895 -2.142 -5.509) 6.582 9.018 ( 6.131 -4.783 7.590) 10.866 9.140 ( 5.724 -12.074 6.984) 15.077 9.415 ( -17.826 2.044 -5.915) 18.893 10.099 ( -15.835 -1.019 -7.885) 17.719 10.265 ( -8.185 0.016 -4.429) 9.307 10.444 ( 7.484 2.214 1.029) 7.872 10.505 ( -1.293 -1.029 -7.581) 7.759 12.407 ( -1.551 -1.266 -4.108) 4.570 12.948 ( -2.583 0.543 -1.584) 3.079 13.508 ( -10.808 16.325 -7.771) 21.064 13.633 ( 5.011 12.173 -1.457) 13.244 14.022 ( 2.594 -2.642 0.968) 3.827 14.080 ( -11.723 -0.924 -3.358) 12.229 14.263 ( 1.310 0.766 9.976) 10.090 14.366 ( 6.332 0.773 0.132) 6.381 14.488 ( 6.501 -1.552 -0.478) 6.701 14.805 ( -3.403 0.772 -6.476) 7.356 14.874 ( 0.226 -7.468 -3.334) 8.182 15.165 ( 4.213 2.298 -0.936) 4.890 15.315 ( 4.812 1.547 0.253) 5.061 15.466 ( -1.185 9.299 14.799) 17.518 15.674 ( 0.013 0.553 10.046) 10.061 15.717 ( -14.603 0.918 -11.730) 18.753 15.868 ( -4.990 18.910 5.386) 20.285 16.197 ( 0.638 17.515 -1.393) 17.582 16.431 ( -2.322 22.521 -0.482) 22.645 16.542 ( -1.669 2.570 3.628) 4.749 16.636 ( -0.937 6.325 -1.235) 6.512 16.927 ( -2.730 8.799 0.123) 9.214 17.473 ( 3.667 -13.741 -9.830) 17.288 17.521 ( 1.333 -15.900 -3.300) 16.293 17.724 ( 1.746 -14.220 -1.112) 14.370 17.775 ( 1.408 -3.136 -15.491) 15.868 17.875 ( -4.078 0.343 -1.339) 4.306 17.998 ( -2.513 -0.580 -14.641) 14.867 18.338 ( -10.763 -5.339 9.871) 15.549 18.697 ( 0.189 -15.788 -10.939) 19.208 19.513 ( -10.962 1.383 3.579) 11.614 19.794 ( 9.507 -2.382 -4.259) 10.687 20.635 ( 8.158 -1.473 -2.096) 8.551 20.935 ( 6.447 -4.760 2.783) 8.483 21.170 ( 8.996 -10.375 18.125) 22.739 21.260 ( -1.540 1.619 0.276) 2.251 21.453 ( -0.067 0.602 -0.171) 0.629 21.642 ( -3.529 -1.031 1.092) 3.835 21.787 ( -2.841 -1.864 -1.055) 3.558 22.160 ( 2.879 1.513 4.040) 5.187 ======================= Grid point 116 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -18.385 -20.714 -4.340) 28.035 2.086 ( -0.699 3.789 -6.672) 7.705 2.625 ( -22.793 -22.733 26.992) 42.011 2.943 ( 15.221 2.366 -15.246) 21.673 3.285 ( 4.132 -8.253 -8.636) 12.640 3.313 ( 0.845 -15.002 -5.337) 15.946 3.315 ( -11.214 -25.930 -5.160) 28.719 3.436 ( -2.939 -19.889 2.324) 20.239 3.447 ( -8.850 -28.151 4.571) 29.861 3.579 ( -0.005 -23.835 0.942) 23.854 4.057 ( -13.439 -14.657 8.216) 21.516 4.171 ( -14.336 2.060 15.329) 21.089 4.320 ( 12.380 9.914 11.008) 19.306 4.399 ( 1.231 0.825 -5.964) 6.146 4.561 ( 2.083 1.195 13.178) 13.395 4.783 ( 9.236 -4.486 -6.433) 12.117 4.950 ( 34.604 -7.864 14.471) 38.323 5.199 ( 0.257 16.559 2.020) 16.684 5.304 ( -6.810 14.576 -2.907) 16.349 5.538 ( 9.086 11.866 6.482) 16.290 5.609 ( -14.974 12.802 5.003) 20.326 5.736 ( -4.437 21.259 -1.767) 21.789 6.059 ( -1.480 -1.747 -1.879) 2.962 6.205 ( 0.790 6.415 -0.159) 6.466 6.377 ( 2.694 7.464 -7.408) 10.856 6.618 ( -2.708 8.828 1.343) 9.331 6.704 ( -1.508 2.988 0.177) 3.351 6.745 ( 0.226 4.357 -3.138) 5.374 6.940 ( -0.876 4.592 -0.149) 4.678 7.051 ( -0.324 3.999 6.072) 7.278 7.156 ( -5.897 -0.852 -3.099) 6.716 7.336 ( 3.008 -2.998 1.267) 4.432 7.407 ( -10.787 4.484 -5.799) 13.042 7.452 ( 7.757 -3.092 0.242) 8.354 7.517 ( -3.599 -1.952 -3.039) 5.099 7.602 ( 1.818 1.283 -3.638) 4.264 7.695 ( 1.253 -4.758 1.815) 5.244 7.955 ( 3.087 -1.281 -4.830) 5.873 8.069 ( 11.549 -3.266 1.036) 12.047 8.118 ( 7.214 -8.927 -2.399) 11.725 8.375 ( 17.828 -9.123 0.818) 20.043 8.645 ( 9.641 -1.688 -2.134) 10.017 8.845 ( 18.985 -0.399 18.554) 26.549 9.127 ( -10.517 2.216 -1.906) 10.915 9.233 ( 1.062 -8.681 4.528) 9.849 9.403 ( -3.021 -1.771 0.251) 3.511 10.080 ( -5.378 -7.097 -2.895) 9.364 10.222 ( -3.968 -5.595 -2.138) 7.185 10.451 ( 5.635 2.568 0.507) 6.214 10.514 ( -2.031 -1.615 -7.674) 8.101 12.441 ( 1.815 -2.340 -2.527) 3.893 12.848 ( -17.856 9.247 -10.011) 22.462 12.982 ( -11.389 14.717 -6.219) 19.621 13.504 ( 8.339 9.808 1.029) 12.915 13.926 ( -11.479 2.801 -3.554) 12.339 14.163 ( 6.470 -3.484 0.906) 7.404 14.283 ( 3.041 -0.147 9.900) 10.358 14.380 ( -2.007 0.856 -6.975) 7.308 14.446 ( 8.888 8.722 4.290) 13.171 14.666 ( -4.552 4.475 4.414) 7.761 14.987 ( 0.002 5.448 0.809) 5.508 15.047 ( 4.561 15.512 0.192) 16.169 15.236 ( -7.637 7.547 10.990) 15.365 15.432 ( 2.538 -5.240 2.793) 6.457 15.516 ( -1.998 8.149 0.285) 8.395 15.545 ( -10.087 0.880 -8.447) 13.186 15.797 ( 8.336 1.854 8.864) 12.309 15.837 ( 1.334 8.227 4.646) 9.542 16.163 ( -1.182 7.762 -2.434) 8.220 16.460 ( -3.032 3.818 1.670) 5.154 16.574 ( -6.122 -0.459 -0.284) 6.146 16.842 ( 0.321 -3.085 -1.272) 3.353 17.597 ( -3.988 0.998 1.798) 4.487 17.660 ( 4.308 -2.314 -21.959) 22.497 17.729 ( -5.886 3.969 -9.241) 11.653 17.975 ( 1.954 -16.449 -2.524) 16.756 18.103 ( 7.594 -7.551 -13.237) 17.026 18.147 ( 1.431 -19.677 -6.657) 20.821 18.310 ( -12.835 -3.832 11.597) 17.717 18.988 ( -1.301 -13.440 -0.410) 13.509 19.354 ( -9.103 6.720 2.974) 11.699 19.931 ( 4.155 -5.967 -2.757) 7.776 20.731 ( 7.547 -0.216 1.793) 7.760 21.028 ( 6.431 -3.043 -0.766) 7.156 21.197 ( -5.133 1.004 -2.361) 5.738 21.405 ( 5.467 2.576 3.759) 7.117 21.541 ( 7.720 -4.676 11.258) 14.429 21.597 ( -2.409 -1.282 2.703) 3.841 21.842 ( -4.138 -6.495 -2.770) 8.184 22.170 ( 3.472 -0.419 1.272) 3.721 ======================= Grid point 123 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -29.143 -0.000 2.517) 29.252 1.580 ( -40.003 -0.000 -2.899) 40.108 2.206 ( -2.889 -0.000 -8.225) 8.717 2.475 ( 7.753 0.000 2.705) 8.211 2.824 ( -52.019 -0.000 25.386) 57.883 2.862 ( -7.880 -0.000 -6.149) 9.995 3.045 ( 17.714 0.000 -19.555) 26.385 3.163 ( 5.529 0.000 -6.224) 8.325 3.196 ( 11.977 0.000 7.696) 14.237 3.363 ( 10.029 0.000 -4.451) 10.972 3.706 ( -20.001 -0.000 12.120) 23.387 4.255 ( -12.454 -0.000 11.297) 16.815 4.382 ( 4.193 0.000 -6.329) 7.592 4.486 ( -2.988 -0.000 9.400) 9.863 4.613 ( 25.194 0.000 12.393) 28.077 4.679 ( 25.551 0.000 16.308) 30.312 4.909 ( 21.193 0.000 4.506) 21.667 5.418 ( -9.829 -0.000 -11.914) 15.445 5.659 ( 25.036 0.000 10.005) 26.961 5.737 ( -23.077 -0.000 3.568) 23.351 5.786 ( 3.694 0.000 2.111) 4.254 6.189 ( -8.682 -0.000 -5.503) 10.279 6.237 ( -12.133 -0.000 -6.228) 13.639 6.419 ( -9.277 -0.000 -4.044) 10.120 6.635 ( 6.048 0.000 0.617) 6.080 6.756 ( -5.184 -0.000 2.839) 5.910 6.844 ( 1.625 0.000 -4.428) 4.717 6.907 ( -23.164 -0.000 -16.829) 28.632 7.046 ( 1.979 0.000 3.024) 3.614 7.086 ( -4.080 -0.000 -6.100) 7.339 7.109 ( -6.271 -0.000 -2.574) 6.778 7.154 ( -2.694 -0.000 4.608) 5.338 7.277 ( 32.283 0.000 9.228) 33.576 7.285 ( -0.157 -0.000 1.270) 1.280 7.385 ( 1.577 0.000 2.061) 2.595 7.460 ( 7.365 0.000 8.168) 10.998 7.684 ( 3.429 0.000 -0.750) 3.510 7.936 ( 1.483 0.000 0.879) 1.724 8.117 ( 8.243 0.000 3.386) 8.911 8.136 ( 17.489 0.000 -5.226) 18.253 8.256 ( 9.166 0.000 -0.398) 9.175 8.408 ( 29.244 0.000 38.566) 48.399 8.641 ( 13.615 0.000 2.609) 13.863 8.879 ( -7.132 -0.000 -2.102) 7.435 9.172 ( 7.214 0.000 8.055) 10.813 9.272 ( -14.046 -0.000 -1.295) 14.106 9.941 ( -18.108 -0.000 -9.484) 20.441 10.176 ( -11.450 -0.000 -3.523) 11.980 10.474 ( -2.545 -0.000 -8.062) 8.454 10.524 ( 5.658 0.000 0.923) 5.733 12.392 ( 1.409 0.000 -3.097) 3.402 12.919 ( -5.382 -0.000 -2.952) 6.138 13.644 ( -0.428 -0.000 -0.262) 0.502 13.690 ( -16.933 -0.000 -19.999) 26.205 13.928 ( -14.430 -0.000 -5.259) 15.359 14.059 ( 8.370 0.000 -4.362) 9.439 14.282 ( -0.237 -0.000 6.784) 6.788 14.417 ( -1.586 -0.000 -11.702) 11.808 14.596 ( 22.629 0.000 13.779) 26.494 14.704 ( -1.637 -0.000 -6.459) 6.663 14.835 ( -3.185 -0.000 1.719) 3.619 15.201 ( 2.424 0.000 -3.825) 4.528 15.353 ( 0.184 0.000 8.767) 8.769 15.504 ( -12.625 -0.000 13.559) 18.527 15.571 ( -18.585 -0.000 -15.539) 24.225 15.760 ( 16.455 0.000 4.840) 17.152 15.997 ( -9.579 -0.000 1.677) 9.725 16.371 ( -3.333 -0.000 -0.606) 3.388 16.540 ( -3.831 -0.000 2.987) 4.858 16.658 ( 1.828 0.000 -6.961) 7.197 16.911 ( 3.948 0.000 -0.341) 3.962 17.099 ( -5.802 -0.000 0.649) 5.839 17.199 ( -0.643 -0.000 -0.225) 0.682 17.233 ( 0.948 0.000 0.341) 1.007 17.580 ( 0.732 0.000 0.106) 0.739 17.760 ( 0.571 0.000 -16.999) 17.008 17.898 ( -1.323 -0.000 -0.297) 1.356 17.968 ( 2.332 0.000 -18.849) 18.992 18.181 ( -11.793 -0.000 7.586) 14.022 18.539 ( 1.741 0.000 -20.171) 20.247 19.426 ( -10.635 -0.000 7.706) 13.133 19.864 ( 9.345 0.000 -1.047) 9.403 20.698 ( 9.936 0.000 -1.596) 10.063 20.936 ( 8.516 0.000 4.611) 9.684 21.128 ( 6.802 0.000 20.506) 21.604 21.232 ( -6.959 -0.000 -3.827) 7.942 21.480 ( 3.596 0.000 3.499) 5.018 21.609 ( -1.489 -0.000 0.611) 1.609 21.752 ( -3.032 -0.000 -0.421) 3.061 22.201 ( 2.070 0.000 4.296) 4.769 ======================= Grid point 124 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -22.631 -21.263 4.507) 31.379 1.791 ( -23.210 -48.754 7.359) 54.496 2.144 ( -7.252 1.031 -9.559) 12.043 2.493 ( -40.734 -8.760 24.673) 48.423 2.810 ( 2.859 -25.023 0.161) 25.186 2.949 ( -3.368 -16.998 -4.985) 18.032 3.147 ( 14.153 2.227 -16.497) 21.850 3.229 ( 2.358 -4.233 -9.402) 10.577 3.378 ( 10.882 -5.695 4.647) 13.132 3.474 ( 12.309 -1.952 -2.936) 12.804 3.666 ( -14.916 -11.540 12.188) 22.454 4.116 ( -13.505 2.879 6.809) 15.396 4.356 ( -7.518 2.212 5.514) 9.582 4.417 ( -5.418 0.224 5.739) 7.896 4.733 ( 10.490 -1.798 -5.945) 12.191 4.989 ( 37.380 6.924 18.090) 42.100 5.207 ( 40.328 -1.222 15.868) 43.354 5.328 ( -2.682 2.644 -9.490) 10.210 5.524 ( -21.245 1.474 8.135) 22.797 5.610 ( 1.566 15.617 1.336) 15.752 5.870 ( 11.510 9.896 6.054) 16.342 5.998 ( -10.754 12.439 -5.001) 17.187 6.096 ( 0.746 0.607 0.194) 0.981 6.263 ( -3.521 3.703 -1.617) 5.360 6.497 ( -15.732 8.025 -11.929) 21.312 6.679 ( -5.930 2.377 -1.989) 6.691 6.736 ( -6.742 1.545 -0.958) 6.982 6.812 ( -1.823 2.718 -5.165) 6.115 6.980 ( -4.434 2.372 -3.832) 6.322 7.080 ( -0.280 -1.777 2.264) 2.892 7.110 ( -2.010 1.647 2.805) 3.824 7.179 ( -6.114 -1.882 -2.473) 6.858 7.276 ( -10.197 -1.770 -0.514) 10.362 7.372 ( 2.232 -6.152 1.665) 6.753 7.435 ( -5.891 -2.341 1.615) 6.541 7.661 ( 11.341 -0.495 0.549) 11.365 7.864 ( 16.341 -5.534 9.980) 19.931 8.049 ( 13.967 -5.721 -4.920) 15.875 8.069 ( 9.343 11.421 5.582) 15.776 8.176 ( 10.816 3.395 0.288) 11.340 8.385 ( 21.208 -6.682 -6.663) 23.212 8.727 ( 12.421 -0.107 0.095) 12.422 8.950 ( -7.347 -13.654 -1.779) 15.607 8.980 ( 15.298 -5.633 19.633) 25.519 9.058 ( -4.678 -0.063 -0.506) 4.706 9.420 ( 15.493 -5.062 12.948) 20.815 9.852 ( -5.505 -11.171 -3.767) 13.011 10.088 ( -8.910 -2.974 -0.652) 9.416 10.459 ( -2.740 -1.161 -7.838) 8.384 10.544 ( 3.693 2.069 0.243) 4.240 12.430 ( 4.277 -1.409 -2.646) 5.223 12.819 ( -15.444 4.820 -11.124) 19.634 13.142 ( -30.261 20.184 -18.959) 41.019 13.698 ( 3.229 2.036 -4.492) 5.895 13.853 ( -9.023 -1.265 -2.412) 9.425 14.152 ( 6.035 -3.396 -4.616) 8.322 14.296 ( 1.086 -1.165 5.421) 5.650 14.364 ( -5.844 1.695 -10.637) 12.254 14.641 ( 4.851 3.424 2.055) 6.284 14.740 ( 2.479 4.587 10.780) 11.975 14.949 ( 8.774 -7.675 0.033) 11.657 15.242 ( -2.911 -0.840 10.240) 10.679 15.280 ( -6.000 4.405 13.878) 15.748 15.393 ( -19.201 0.732 -15.632) 24.770 15.418 ( 6.510 0.700 1.700) 6.764 15.717 ( -5.996 15.445 3.750) 16.987 15.915 ( 10.761 0.173 4.535) 11.679 16.208 ( 0.481 15.768 -0.974) 15.806 16.384 ( -2.812 24.799 -1.309) 24.992 16.481 ( -5.491 2.222 1.578) 6.130 16.612 ( -1.800 11.280 -1.168) 11.482 16.853 ( -5.059 6.254 0.835) 8.088 17.512 ( 1.063 -15.523 -3.883) 16.037 17.556 ( 2.956 -12.878 -4.036) 13.816 17.719 ( -4.910 1.112 -0.782) 5.095 17.735 ( -1.320 -7.406 -5.299) 9.202 17.822 ( 0.294 -8.608 -4.137) 9.555 18.055 ( 4.081 -4.615 -12.531) 13.963 18.150 ( -6.977 -4.238 2.992) 8.694 18.678 ( -1.524 -13.395 -17.012) 21.706 19.334 ( -9.456 1.065 9.545) 13.478 19.939 ( 7.036 -0.231 0.312) 7.047 20.801 ( 10.148 -0.777 0.854) 10.214 21.027 ( 5.199 -2.288 -0.291) 5.688 21.153 ( -7.288 0.613 -5.320) 9.044 21.411 ( 14.680 -14.302 12.729) 24.126 21.511 ( 2.097 -0.788 5.084) 5.556 21.596 ( 0.113 1.605 2.008) 2.573 21.731 ( -3.363 -1.380 -1.155) 3.814 22.196 ( 0.894 1.295 2.673) 3.102 ======================= Grid point 132 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -22.442 -0.000 14.004) 26.453 0.847 ( -38.788 -0.000 6.314) 39.299 1.867 ( -43.691 -0.000 42.877) 61.216 2.362 ( 5.332 0.000 -14.019) 14.999 2.609 ( 5.026 0.000 0.841) 5.096 2.718 ( -5.740 -0.000 -6.198) 8.447 3.184 ( -0.985 -0.000 -9.795) 9.844 3.311 ( 14.923 0.000 -21.350) 26.049 3.397 ( 2.587 0.000 11.178) 11.473 3.441 ( -5.227 -0.000 13.293) 14.284 3.586 ( 14.132 0.000 -4.283) 14.766 4.042 ( -10.780 -0.000 8.715) 13.862 4.320 ( -6.312 -0.000 12.741) 14.218 4.375 ( -4.147 -0.000 1.948) 4.582 4.776 ( 5.411 0.000 -11.466) 12.678 5.312 ( -17.823 -0.000 3.503) 18.164 5.326 ( 0.635 0.000 -14.705) 14.719 5.458 ( 40.772 0.000 25.615) 48.151 5.610 ( 42.947 0.000 21.439) 48.001 5.803 ( 4.742 0.000 0.818) 4.812 5.980 ( -16.021 -0.000 -9.687) 18.722 5.981 ( -13.127 -0.000 -1.654) 13.231 6.100 ( 6.295 0.000 5.862) 8.602 6.301 ( -33.535 -0.000 -18.717) 38.405 6.312 ( 8.057 0.000 2.424) 8.414 6.642 ( -6.121 -0.000 -3.120) 6.870 6.733 ( 2.084 0.000 1.950) 2.854 6.823 ( -3.917 -0.000 -2.500) 4.646 6.954 ( -3.381 -0.000 -5.094) 6.114 6.998 ( -30.613 -0.000 -3.790) 30.847 7.123 ( 3.051 0.000 2.968) 4.257 7.134 ( -2.881 -0.000 2.677) 3.933 7.190 ( 3.265 0.000 7.034) 7.755 7.315 ( 1.901 0.000 0.960) 2.130 7.434 ( 2.966 0.000 5.237) 6.019 7.743 ( 3.346 0.000 -0.152) 3.349 7.954 ( 21.489 0.000 6.541) 22.462 8.098 ( 23.472 0.000 1.857) 23.546 8.328 ( 12.161 0.000 2.797) 12.479 8.385 ( 8.070 0.000 -0.201) 8.073 8.496 ( 19.379 0.000 -9.526) 21.594 8.659 ( -15.326 -0.000 -7.030) 16.861 8.842 ( 11.131 0.000 -0.970) 11.173 8.859 ( -22.067 -0.000 -8.763) 23.743 9.307 ( 59.290 0.000 47.836) 76.181 9.462 ( 15.064 0.000 13.994) 20.561 9.605 ( -19.400 -0.000 -10.738) 22.173 9.965 ( -9.433 -0.000 2.091) 9.662 10.424 ( -1.573 -0.000 -6.873) 7.050 10.587 ( 1.650 0.000 -0.289) 1.675 12.452 ( -1.550 -0.000 -11.949) 12.049 12.708 ( -31.291 -0.000 -26.492) 40.999 13.031 ( -41.178 -0.000 -22.077) 46.723 13.638 ( -0.312 -0.000 -0.270) 0.412 13.747 ( -5.433 -0.000 -1.553) 5.650 14.135 ( -0.032 -0.000 -5.149) 5.149 14.292 ( 4.502 0.000 0.593) 4.541 14.352 ( -0.886 -0.000 -3.180) 3.301 14.671 ( -0.930 -0.000 10.249) 10.291 14.843 ( 1.735 0.000 6.061) 6.304 15.012 ( 22.020 0.000 13.832) 26.004 15.180 ( -12.839 -0.000 19.905) 23.687 15.215 ( -19.505 -0.000 -15.619) 24.988 15.272 ( 3.400 0.000 -1.295) 3.639 15.496 ( 4.789 0.000 3.836) 6.136 15.814 ( -11.280 -0.000 2.838) 11.631 16.002 ( 10.788 0.000 2.193) 11.009 16.330 ( -1.413 -0.000 -1.590) 2.127 16.445 ( -7.032 -0.000 0.906) 7.091 16.679 ( 1.099 0.000 -9.629) 9.692 16.928 ( -1.800 -0.000 -4.027) 4.411 17.046 ( 0.362 0.000 3.783) 3.800 17.186 ( -0.481 -0.000 -0.314) 0.574 17.251 ( 0.711 0.000 0.390) 0.811 17.590 ( 0.405 0.000 -0.061) 0.409 17.710 ( -3.511 -0.000 -1.312) 3.748 17.878 ( -0.839 -0.000 -0.068) 0.842 17.943 ( -11.005 -0.000 5.117) 12.136 18.118 ( 11.191 0.000 -23.924) 26.412 18.557 ( 1.837 0.000 -22.890) 22.964 19.269 ( -8.169 -0.000 13.118) 15.453 19.999 ( 6.270 0.000 1.820) 6.528 20.881 ( 10.110 0.000 1.472) 10.216 21.028 ( -1.846 -0.000 0.761) 1.997 21.112 ( 0.406 0.000 -7.702) 7.713 21.327 ( 9.335 0.000 11.701) 14.968 21.494 ( -2.507 -0.000 2.979) 3.894 21.643 ( 4.671 0.000 4.587) 6.547 21.704 ( -2.008 -0.000 0.117) 2.011 22.223 ( 0.089 0.000 3.105) 3.107 ======================= Grid point 133 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.331 0.000 25.971) 27.950 1.252 ( 4.484 0.000 25.356) 25.750 2.075 ( 14.653 0.000 4.137) 15.226 2.263 ( -9.834 -0.000 -14.845) 17.807 2.605 ( -7.561 -0.000 44.318) 44.958 2.845 ( 6.859 0.000 1.444) 7.010 2.973 ( -4.919 -0.000 -5.622) 7.470 3.104 ( 14.482 0.000 -23.782) 27.844 3.612 ( 3.729 0.000 -13.223) 13.739 3.634 ( -2.715 -0.000 20.172) 20.354 3.729 ( 2.550 0.000 8.233) 8.618 3.930 ( -8.540 -0.000 -8.298) 11.908 4.322 ( 2.174 0.000 -0.515) 2.235 4.431 ( -6.508 -0.000 -8.890) 11.017 4.706 ( -7.438 -0.000 10.861) 13.163 5.036 ( 8.113 0.000 -21.727) 23.193 5.059 ( -9.492 -0.000 12.548) 15.734 5.506 ( -7.521 -0.000 -3.240) 8.189 5.723 ( -13.907 -0.000 1.364) 13.974 5.730 ( -7.464 -0.000 -2.149) 7.768 5.815 ( -3.075 -0.000 -2.944) 4.257 5.968 ( -6.307 -0.000 -2.702) 6.862 6.142 ( -19.256 -0.000 -8.272) 20.958 6.487 ( -1.319 -0.000 5.408) 5.566 6.751 ( 0.951 0.000 -1.385) 1.680 6.766 ( 43.690 0.000 23.399) 49.561 6.794 ( -2.430 -0.000 2.026) 3.164 6.847 ( -0.959 -0.000 -2.608) 2.778 6.926 ( 18.734 0.000 8.657) 20.637 6.932 ( 28.430 0.000 17.893) 33.592 7.156 ( -1.632 -0.000 3.393) 3.765 7.180 ( -0.514 -0.000 0.467) 0.695 7.411 ( 5.767 0.000 4.637) 7.400 7.439 ( -0.519 -0.000 8.527) 8.543 7.611 ( 0.150 0.000 5.855) 5.857 7.867 ( 5.662 0.000 5.519) 7.907 7.904 ( -22.143 -0.000 -8.989) 23.898 8.103 ( -8.121 -0.000 -8.106) 11.475 8.173 ( -17.161 -0.000 -10.622) 20.182 8.361 ( -6.968 -0.000 -5.778) 9.052 8.528 ( -11.678 -0.000 -10.355) 15.607 8.577 ( 8.198 0.000 -3.582) 8.946 8.733 ( 15.849 0.000 -0.107) 15.849 8.738 ( 2.899 0.000 -3.681) 4.686 8.864 ( -43.255 -0.000 -5.110) 43.555 9.083 ( -15.649 -0.000 -7.210) 17.230 9.574 ( -5.468 -0.000 -8.171) 9.832 9.958 ( 12.574 0.000 10.113) 16.136 10.363 ( 4.264 0.000 -4.103) 5.918 10.531 ( -3.292 -0.000 -3.488) 4.796 12.160 ( 6.862 0.000 -2.439) 7.282 12.830 ( 2.926 0.000 2.222) 3.674 13.289 ( 24.099 0.000 -1.453) 24.143 13.636 ( 0.341 0.000 0.302) 0.455 13.823 ( 9.071 0.000 5.283) 10.498 14.206 ( 2.349 0.000 -4.660) 5.219 14.403 ( 12.563 0.000 -0.984) 12.602 14.492 ( -20.731 -0.000 -15.320) 25.777 14.511 ( 10.582 0.000 7.365) 12.893 14.899 ( 2.786 0.000 6.613) 7.176 14.986 ( 2.691 0.000 3.298) 4.256 15.280 ( 3.655 0.000 -4.947) 6.151 15.440 ( -13.391 -0.000 26.198) 29.422 15.691 ( 20.351 0.000 11.510) 23.381 15.695 ( -9.466 -0.000 5.039) 10.723 15.725 ( 8.708 0.000 7.097) 11.234 16.068 ( -7.221 -0.000 -1.808) 7.444 16.287 ( 0.829 0.000 -1.723) 1.912 16.318 ( -2.788 -0.000 -1.485) 3.159 16.462 ( -1.387 -0.000 -11.500) 11.584 16.859 ( -3.357 -0.000 1.964) 3.890 17.164 ( 4.809 0.000 2.343) 5.350 17.184 ( 0.338 0.000 -0.049) 0.342 17.253 ( -0.546 -0.000 -0.046) 0.548 17.592 ( -0.017 -0.000 -0.089) 0.091 17.645 ( 6.648 0.000 -15.492) 16.858 17.760 ( -12.551 -0.000 -6.808) 14.278 17.874 ( 0.218 0.000 0.128) 0.253 17.951 ( 9.452 0.000 -7.803) 12.256 18.209 ( 11.271 0.000 -15.652) 19.288 19.406 ( -3.729 -0.000 9.731) 10.421 20.137 ( 5.061 0.000 0.332) 5.072 20.897 ( -6.873 -0.000 1.536) 7.042 20.959 ( -15.566 -0.000 -3.071) 15.866 21.109 ( 3.170 0.000 -0.874) 3.288 21.222 ( 0.048 0.000 2.037) 2.038 21.499 ( -0.667 -0.000 0.441) 0.800 21.662 ( -1.676 -0.000 0.963) 1.933 21.856 ( 4.335 0.000 6.420) 7.747 22.204 ( -4.498 -0.000 0.024) 4.498 ======================= Grid point 134 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -8.465 -7.911 19.118) 22.355 1.735 ( 2.636 -37.339 13.644) 39.841 2.320 ( 14.863 -9.506 -0.005) 17.643 2.506 ( -2.743 -30.926 -11.052) 32.956 2.709 ( 19.961 -10.051 45.346) 50.554 3.004 ( -3.558 -12.296 -1.788) 12.925 3.073 ( 1.021 -14.592 -1.412) 14.696 3.188 ( 11.053 1.819 -19.928) 22.860 3.634 ( -0.684 -1.899 -16.286) 16.410 3.741 ( 2.291 -9.631 15.409) 18.315 3.754 ( -1.597 -1.280 5.765) 6.117 3.888 ( -7.138 -5.684 -8.128) 12.220 4.280 ( -20.827 -0.162 -9.460) 22.875 4.337 ( -1.236 0.914 5.574) 5.783 4.715 ( 13.316 3.978 5.695) 15.019 5.001 ( 1.617 2.119 15.996) 16.216 5.089 ( 2.132 2.093 -10.961) 11.360 5.419 ( -6.292 2.753 0.411) 6.881 5.526 ( -4.107 13.500 -0.646) 14.126 5.619 ( -8.169 6.625 2.730) 10.866 5.637 ( -12.413 2.491 5.624) 13.853 5.777 ( -4.540 14.153 -2.572) 15.084 6.008 ( -5.015 3.625 -13.238) 14.613 6.444 ( -0.521 4.847 6.078) 7.792 6.687 ( -2.039 5.549 0.765) 5.961 6.753 ( 0.813 2.261 -0.815) 2.537 6.816 ( -1.119 1.129 -1.359) 2.091 6.984 ( 9.184 5.867 4.268) 11.704 7.069 ( -2.207 4.942 0.744) 5.464 7.197 ( 18.429 -3.010 9.817) 21.097 7.206 ( 22.118 -1.579 12.065) 25.245 7.259 ( 16.988 -4.831 8.850) 19.755 7.370 ( 4.802 2.309 9.041) 10.494 7.541 ( -2.534 -2.001 5.098) 6.034 7.604 ( -1.190 -2.678 8.081) 8.596 7.712 ( -26.955 -5.327 -13.228) 30.494 7.891 ( 1.356 2.417 5.873) 6.494 7.957 ( -11.727 4.655 -4.133) 13.277 8.048 ( -9.269 1.452 2.795) 9.789 8.190 ( -4.442 0.829 -14.561) 15.246 8.454 ( -21.453 -7.845 -11.281) 25.476 8.639 ( -15.710 -5.144 -4.287) 17.077 8.746 ( 0.623 -3.937 -5.544) 6.829 8.876 ( -5.108 -11.075 -0.208) 12.198 8.976 ( 13.754 -1.845 1.717) 13.983 9.020 ( -17.019 -16.007 -7.856) 24.649 9.614 ( 10.054 -2.240 -6.412) 12.133 10.066 ( 10.135 -0.750 6.993) 12.337 10.403 ( 3.926 -0.397 -5.339) 6.639 10.473 ( -3.823 2.571 -4.274) 6.284 12.221 ( 6.262 -0.653 -4.045) 7.483 12.843 ( 0.170 -0.274 1.141) 1.186 13.301 ( 14.405 14.939 -3.299) 21.014 13.601 ( -1.618 4.717 -1.866) 5.324 13.927 ( 11.575 -0.789 6.587) 13.341 14.166 ( -6.832 2.390 -6.082) 9.454 14.342 ( -4.981 -1.809 -10.479) 11.742 14.480 ( -3.072 -1.332 7.504) 8.217 14.761 ( 17.389 -6.801 -6.190) 19.671 14.829 ( 2.398 7.939 4.266) 9.326 15.005 ( 10.489 5.146 -0.728) 11.706 15.261 ( -6.691 2.031 11.876) 13.782 15.308 ( -1.144 5.527 9.104) 10.712 15.516 ( -4.929 11.121 4.591) 13.002 15.780 ( 7.927 1.727 6.996) 10.713 15.903 ( 6.260 -3.232 5.141) 8.721 15.970 ( -6.049 -0.460 0.111) 6.068 16.131 ( -2.750 15.638 -2.463) 16.067 16.269 ( 0.044 22.820 -2.274) 22.933 16.309 ( 1.265 1.052 -1.556) 2.264 16.541 ( 0.319 15.495 -1.372) 15.559 16.800 ( -1.454 4.713 1.439) 5.138 17.435 ( -8.939 3.029 1.255) 9.521 17.504 ( -5.097 -10.408 -0.112) 11.589 17.656 ( 5.352 -11.228 -6.640) 14.100 17.727 ( 2.442 -1.834 -9.567) 10.043 17.819 ( 8.977 -8.155 -7.176) 14.091 17.933 ( -2.338 -11.565 -4.583) 12.658 18.117 ( 5.817 -12.737 -3.036) 14.328 18.322 ( 12.475 -1.108 -13.107) 18.129 19.390 ( -3.587 -1.335 10.246) 10.938 20.165 ( 4.486 1.484 -0.571) 4.760 20.865 ( -8.999 -4.542 4.443) 11.016 20.948 ( -20.251 -14.575 -4.047) 25.277 21.159 ( -4.067 -2.862 1.670) 5.246 21.322 ( 8.611 -5.795 -0.077) 10.380 21.495 ( 0.219 0.323 0.673) 0.778 21.636 ( 1.544 2.085 1.154) 2.840 21.872 ( 2.229 1.280 5.510) 6.080 22.149 ( -3.375 1.421 0.105) 3.663 ======================= Grid point 135 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -11.426 -10.066 11.485) 19.073 2.301 ( 8.193 -15.170 -1.406) 17.299 2.569 ( 1.884 -16.620 21.480) 27.224 3.107 ( 2.221 0.862 -13.424) 13.634 3.162 ( 0.719 -29.429 -6.718) 30.194 3.255 ( 2.984 -21.173 -1.520) 21.436 3.431 ( -2.832 -23.118 -1.403) 23.333 3.488 ( 10.553 -20.750 2.528) 23.417 3.691 ( 0.056 -2.716 2.953) 4.013 3.802 ( 9.291 -14.184 7.088) 18.378 3.964 ( 6.227 -9.709 -6.413) 13.197 4.068 ( -10.952 -18.123 -2.702) 21.347 4.152 ( -6.896 -9.068 3.034) 11.789 4.310 ( -3.493 0.154 5.907) 6.865 4.742 ( 9.818 5.137 0.158) 11.082 4.963 ( -12.001 2.987 13.704) 18.460 5.016 ( 14.539 6.071 17.856) 23.813 5.128 ( -0.281 20.736 1.268) 20.777 5.256 ( 1.638 22.034 0.235) 22.096 5.365 ( -0.750 12.205 -1.326) 12.300 5.460 ( -1.108 7.465 0.364) 7.556 5.685 ( -7.739 -8.887 2.541) 12.056 5.880 ( -0.375 7.453 -6.875) 10.147 6.323 ( -4.817 4.461 5.720) 8.707 6.574 ( -1.437 5.004 -0.706) 5.254 6.698 ( -0.161 3.839 -2.186) 4.421 6.743 ( -1.017 7.564 -3.617) 8.446 6.927 ( -6.940 1.612 -0.129) 7.126 6.934 ( 3.694 7.535 1.518) 8.528 7.169 ( 1.975 9.919 2.316) 10.375 7.335 ( -2.790 8.350 1.472) 8.926 7.350 ( -3.939 4.224 -0.384) 5.788 7.373 ( 2.823 5.712 6.965) 9.439 7.467 ( 8.331 -0.018 2.874) 8.813 7.665 ( -4.209 1.011 0.456) 4.353 7.703 ( -6.591 -5.862 -1.806) 9.003 7.788 ( -5.026 -3.155 -2.293) 6.361 7.917 ( 6.922 0.527 5.622) 8.933 8.074 ( 3.298 -3.505 -6.914) 8.425 8.179 ( -5.997 -6.772 -3.721) 9.781 8.451 ( -10.429 -7.841 -1.486) 13.132 8.578 ( -6.739 -0.255 -1.572) 6.925 8.812 ( -9.840 -7.300 -5.320) 13.357 8.960 ( -8.682 -4.658 -2.394) 10.139 9.026 ( 3.870 -2.699 0.550) 4.750 9.345 ( -1.788 -16.849 -2.361) 17.107 9.783 ( 15.037 -2.749 -3.816) 15.755 10.195 ( 7.259 -5.552 3.226) 9.691 10.372 ( -3.444 3.852 -4.936) 7.146 10.438 ( 1.882 -0.169 -7.029) 7.278 12.292 ( 6.932 -0.977 -4.087) 8.106 12.838 ( -1.523 1.065 -0.837) 2.038 13.042 ( 2.460 18.273 -3.715) 18.808 13.445 ( -2.228 8.355 -1.119) 8.719 13.999 ( 2.152 2.578 -0.586) 3.410 14.112 ( 7.026 0.966 1.449) 7.239 14.296 ( -2.697 4.951 -2.472) 6.156 14.488 ( 2.943 0.322 7.014) 7.613 14.717 ( 6.653 8.695 0.848) 10.981 14.917 ( 3.462 0.144 -1.222) 3.674 14.985 ( 5.605 3.788 2.184) 7.108 15.078 ( -11.729 4.480 22.269) 25.565 15.238 ( 1.573 9.972 1.755) 10.247 15.292 ( 5.807 8.570 1.608) 10.477 15.611 ( -5.001 23.620 1.191) 24.173 15.740 ( -14.901 3.852 -4.923) 16.159 15.823 ( 2.067 1.303 -4.782) 5.370 15.989 ( 0.524 3.967 2.600) 4.772 16.130 ( 4.067 -3.708 8.092) 9.786 16.337 ( 4.501 -1.995 1.071) 5.038 16.546 ( 3.110 -5.026 -1.250) 6.041 16.725 ( -2.219 -0.302 -4.154) 4.719 17.218 ( -10.207 4.324 -0.211) 11.087 17.591 ( 0.275 2.779 -4.941) 5.675 17.786 ( 2.090 -2.965 -6.669) 7.592 17.941 ( 4.827 -5.441 -16.227) 17.783 17.981 ( 2.037 -13.906 -6.356) 15.425 18.134 ( 6.788 -8.543 -0.958) 10.953 18.448 ( 12.785 -1.065 -11.659) 17.336 18.506 ( -0.857 -20.131 3.474) 20.446 19.391 ( -3.459 -1.372 9.492) 10.196 20.165 ( 2.898 1.572 -0.763) 3.385 20.888 ( -3.481 -3.108 5.847) 7.481 21.055 ( -14.620 -11.909 -3.639) 19.205 21.147 ( -6.196 -0.998 2.534) 6.768 21.445 ( -7.227 -4.490 -1.014) 8.568 21.476 ( 6.234 5.734 3.536) 9.178 21.705 ( 8.494 -6.348 0.852) 10.638 21.867 ( 0.298 0.139 2.662) 2.683 22.109 ( -2.005 0.294 -0.552) 2.101 ======================= Grid point 136 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -7.255 -10.387 5.259) 13.718 2.468 ( 4.005 -2.480 -7.413) 8.783 2.911 ( -1.393 2.482 3.168) 4.259 3.133 ( 9.526 -17.736 8.697) 21.931 3.422 ( -6.909 5.033 -4.508) 9.664 3.511 ( -8.116 -12.140 -12.772) 19.401 3.647 ( -0.383 1.298 2.125) 2.520 3.755 ( -2.573 -21.057 3.975) 21.583 3.833 ( -9.950 -22.911 -4.839) 25.443 4.124 ( 2.702 2.651 -3.853) 5.401 4.254 ( -3.821 -11.642 3.936) 12.869 4.403 ( 7.229 -11.126 3.249) 13.660 4.538 ( -3.335 -28.788 -10.504) 30.826 4.598 ( 16.121 -15.248 12.133) 25.290 4.679 ( -5.265 -6.791 14.461) 16.821 4.777 ( 5.542 13.352 2.756) 14.717 4.839 ( -1.059 12.033 7.105) 14.014 4.980 ( 10.657 1.269 9.550) 14.366 5.030 ( 16.274 12.989 6.418) 21.789 5.084 ( 4.371 6.036 8.682) 11.442 5.490 ( 5.663 -3.035 6.385) 9.058 5.692 ( -4.292 4.406 2.470) 6.629 5.754 ( -5.650 2.289 1.309) 6.235 6.241 ( -5.569 -0.828 5.551) 7.906 6.445 ( 0.992 9.334 -2.621) 9.746 6.522 ( -3.271 12.195 -2.790) 12.931 6.625 ( 1.193 4.472 -3.713) 5.934 6.742 ( -3.799 10.187 -2.462) 11.147 6.876 ( -3.642 17.579 3.075) 18.214 6.890 ( -0.326 7.422 1.220) 7.528 6.997 ( -2.658 5.418 2.218) 6.430 7.263 ( -9.682 2.535 -2.199) 10.247 7.388 ( 6.898 -0.643 -3.297) 7.673 7.489 ( -0.355 0.555 -4.724) 4.770 7.643 ( -2.730 0.727 -4.844) 5.608 7.688 ( -19.359 -6.711 -6.295) 21.435 7.766 ( -4.070 3.830 -6.582) 8.635 7.959 ( -2.421 -1.143 -2.136) 3.425 8.066 ( -1.181 -0.583 -3.930) 4.145 8.365 ( 5.530 -3.904 4.512) 8.135 8.567 ( 4.319 -2.007 5.805) 7.509 8.599 ( 7.843 -8.751 6.948) 13.651 8.856 ( -10.609 -7.468 -2.362) 13.187 8.956 ( 8.543 5.294 -0.168) 10.052 9.090 ( -6.549 -5.682 0.370) 8.679 9.543 ( -3.167 -6.506 -1.407) 7.372 9.942 ( 10.666 -2.290 -4.923) 11.969 10.274 ( -3.454 2.489 -4.870) 6.468 10.386 ( 6.342 -6.906 1.304) 9.466 10.439 ( 0.040 0.668 -8.189) 8.216 12.363 ( 6.370 0.126 -4.051) 7.550 12.659 ( -2.698 13.031 -2.027) 13.461 12.860 ( -6.239 0.173 -3.965) 7.394 13.301 ( 0.402 5.399 -0.136) 5.415 13.880 ( -4.928 7.072 -5.932) 10.464 14.175 ( 14.531 6.620 7.220) 17.525 14.217 ( 3.605 -0.736 2.115) 4.244 14.481 ( 1.977 2.843 6.939) 7.755 14.610 ( 0.654 5.489 0.298) 5.536 14.805 ( 4.629 12.172 3.885) 13.589 14.865 ( -8.502 5.289 19.951) 22.323 15.007 ( -0.226 8.801 2.102) 9.051 15.106 ( -2.079 -5.745 8.805) 10.717 15.275 ( 5.079 -1.710 1.313) 5.518 15.403 ( 0.591 1.615 -0.414) 1.769 15.529 ( -16.012 2.362 -6.876) 17.586 15.800 ( 5.995 4.046 -16.382) 17.908 15.993 ( 0.574 -1.316 8.945) 9.060 16.169 ( -2.923 -1.238 5.397) 6.261 16.410 ( -1.585 -1.151 11.203) 11.373 16.619 ( 7.952 0.150 -3.827) 8.826 16.832 ( -5.409 -10.429 -9.741) 15.262 17.116 ( -3.095 -0.886 -7.193) 7.881 17.510 ( -1.147 4.531 -3.478) 5.826 17.808 ( 3.119 2.775 -10.663) 11.451 17.985 ( 7.389 3.225 -14.310) 16.425 18.283 ( 0.686 -13.684 -8.277) 16.007 18.349 ( 0.550 -9.295 1.025) 9.367 18.568 ( 4.221 -5.688 -7.039) 9.986 18.758 ( 4.490 -3.950 3.251) 6.807 19.378 ( -3.526 -0.149 7.858) 8.614 20.178 ( 1.136 -1.394 0.995) 2.055 20.869 ( -3.130 3.536 0.267) 4.729 21.101 ( -11.060 -5.502 -0.671) 12.371 21.178 ( 3.866 -4.813 8.872) 10.808 21.392 ( 4.491 6.937 1.731) 8.443 21.436 ( -8.463 -2.156 -0.526) 8.749 21.851 ( 0.264 -0.869 4.649) 4.737 21.926 ( 3.348 -5.901 -2.735) 7.315 22.102 ( 0.129 -0.817 -0.597) 1.020 ======================= Grid point 137 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -4.210 -8.728 0.640) 9.711 2.482 ( 0.183 5.464 -15.898) 16.811 2.741 ( -1.510 6.837 8.166) 10.757 3.187 ( -3.728 8.002 -6.025) 10.688 3.545 ( 3.404 -5.657 0.354) 6.612 3.596 ( 2.047 1.531 -0.102) 2.558 3.749 ( -1.983 -14.425 6.340) 15.881 3.925 ( -8.949 -1.414 19.267) 21.290 3.971 ( -8.041 1.188 -4.095) 9.102 4.106 ( 5.756 -4.600 -8.349) 11.136 4.360 ( -1.825 15.483 -2.252) 15.752 4.473 ( -7.279 -1.952 -1.109) 7.617 4.606 ( 1.722 -8.092 2.024) 8.517 4.646 ( 4.562 -9.553 4.127) 11.362 4.694 ( 2.792 1.759 -2.002) 3.860 4.823 ( 0.755 -0.629 8.097) 8.156 4.914 ( 9.154 8.291 3.684) 12.888 5.026 ( -0.445 3.699 12.360) 12.909 5.069 ( 0.213 -6.347 3.476) 7.240 5.251 ( -6.650 28.591 8.005) 30.426 5.339 ( 5.538 -5.651 3.182) 8.528 5.691 ( 12.613 -8.898 15.898) 22.159 6.006 ( 0.802 -31.554 3.011) 31.708 6.227 ( 3.564 5.404 0.322) 6.481 6.283 ( 1.530 3.677 -1.617) 4.298 6.342 ( 0.804 2.741 3.415) 4.453 6.502 ( 14.822 10.219 6.983) 19.310 6.592 ( -1.951 1.514 -2.917) 3.822 6.694 ( -2.184 -0.729 -0.767) 2.426 6.803 ( -0.646 0.561 -1.109) 1.401 6.989 ( -5.016 -3.642 1.615) 6.406 7.145 ( -7.263 1.094 -1.582) 7.513 7.402 ( -20.098 4.588 -18.226) 27.516 7.470 ( 0.500 0.967 -3.300) 3.475 7.497 ( -9.466 -2.383 -12.352) 15.744 7.615 ( -10.584 -1.117 -12.032) 16.063 7.693 ( 3.743 3.898 3.622) 6.506 7.935 ( -2.340 -0.255 -2.774) 3.638 8.090 ( 5.086 1.426 2.724) 5.943 8.400 ( 3.640 1.070 2.431) 4.506 8.687 ( 7.243 -1.863 2.152) 7.782 8.846 ( 11.965 -5.884 7.449) 15.273 8.880 ( 6.255 5.705 -0.630) 8.489 8.957 ( -0.102 -5.605 4.334) 7.086 9.131 ( -4.890 -3.748 2.224) 6.550 9.546 ( -5.668 1.482 -2.197) 6.257 10.010 ( -1.854 0.041 -9.032) 9.220 10.254 ( 3.756 -1.329 -2.173) 4.538 10.404 ( -2.152 1.278 -8.863) 9.209 10.527 ( 6.421 -1.414 0.290) 6.581 12.323 ( -9.010 2.592 -5.572) 10.906 12.534 ( 6.636 1.941 1.386) 7.051 12.804 ( -7.679 -0.708 -5.048) 9.217 13.274 ( 3.102 -1.096 -0.196) 3.295 13.729 ( -5.401 2.251 -3.824) 6.990 14.188 ( 3.391 -0.624 0.609) 3.501 14.329 ( 13.846 -1.994 8.413) 16.324 14.460 ( 0.568 -0.776 5.417) 5.502 14.566 ( 4.482 3.544 1.237) 5.846 14.644 ( -3.318 3.847 1.661) 5.345 14.732 ( -3.868 2.461 19.479) 20.011 14.911 ( -2.468 2.142 7.060) 7.780 15.197 ( -3.306 -5.227 8.887) 10.827 15.275 ( -12.419 1.925 -4.618) 13.389 15.356 ( -0.920 -2.184 0.958) 2.556 15.574 ( 6.197 -8.293 -3.363) 10.885 15.781 ( 10.705 4.873 -16.626) 20.366 16.013 ( -1.248 -0.438 8.650) 8.751 16.157 ( -4.883 -0.769 7.387) 8.888 16.374 ( -4.651 0.453 6.284) 7.831 16.666 ( -1.308 0.136 5.026) 5.195 16.908 ( 4.246 -1.026 -15.113) 15.732 17.206 ( 0.684 -7.660 -11.474) 13.813 17.405 ( 0.164 6.133 -6.666) 9.059 17.731 ( -2.168 5.228 -4.157) 7.023 17.964 ( 8.569 5.376 -17.347) 20.081 18.394 ( 1.561 2.817 -10.213) 10.709 18.429 ( -6.718 -2.981 3.151) 7.996 18.696 ( 2.844 8.790 -0.754) 9.269 18.831 ( -1.689 -14.771 -1.509) 14.943 19.352 ( -0.938 0.976 7.231) 7.357 20.202 ( 0.552 1.836 2.857) 3.441 20.764 ( -0.466 2.751 -0.417) 2.821 21.125 ( -3.698 -3.214 2.146) 5.349 21.296 ( 6.220 8.155 -0.056) 10.257 21.334 ( 6.624 -5.597 8.396) 12.070 21.411 ( -8.114 -3.769 0.607) 8.967 21.840 ( -3.655 0.459 -1.110) 3.847 21.975 ( -1.459 0.759 1.578) 2.279 22.161 ( 4.087 -2.056 -0.929) 4.668 ======================= Grid point 138 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -3.757 -2.730 -2.264) 5.167 2.227 ( -2.164 15.805 -2.021) 16.080 2.731 ( 5.884 -1.054 -4.198) 7.305 3.044 ( -4.767 4.687 2.256) 7.056 3.485 ( 6.484 10.995 2.158) 12.946 3.560 ( -9.973 10.694 15.315) 21.175 3.688 ( 4.952 2.000 -6.096) 8.104 3.801 ( 0.385 9.107 0.990) 9.169 3.868 ( -6.514 16.220 -1.729) 17.565 4.075 ( 3.765 22.012 1.960) 22.418 4.219 ( -8.501 39.355 0.196) 40.263 4.258 ( 4.105 2.696 -4.670) 6.777 4.476 ( -7.822 8.590 6.407) 13.267 4.617 ( -4.711 7.704 9.291) 12.957 4.644 ( 1.878 -2.820 1.713) 3.796 4.823 ( -1.024 -12.316 0.996) 12.398 4.945 ( -2.562 -11.111 7.560) 13.681 5.002 ( -6.077 -22.282 -2.160) 23.196 5.036 ( -3.682 -2.176 6.828) 8.056 5.246 ( 1.603 -8.975 -1.038) 9.176 5.519 ( -3.397 -7.512 0.968) 8.301 5.928 ( 18.795 -1.514 18.063) 26.111 6.200 ( 4.744 1.805 2.884) 5.838 6.278 ( 13.115 2.075 5.989) 14.566 6.419 ( 17.141 1.131 6.095) 18.227 6.444 ( -2.778 -9.229 3.392) 10.218 6.599 ( -0.230 -1.380 -1.040) 1.744 6.623 ( 3.503 -4.477 -0.439) 5.702 6.806 ( -2.787 -8.222 -3.336) 9.301 6.905 ( -3.388 -17.648 -1.166) 18.008 7.013 ( -10.767 -3.117 -4.946) 12.251 7.099 ( -13.952 -3.968 -11.184) 18.317 7.117 ( -1.314 -2.001 1.206) 2.681 7.403 ( -10.153 -2.522 -5.712) 11.920 7.486 ( -5.006 1.455 -2.297) 5.696 7.552 ( -3.756 1.343 -9.593) 10.390 7.690 ( 11.167 2.806 -0.259) 11.517 7.969 ( 6.990 -1.107 0.394) 7.088 8.098 ( 6.236 2.179 2.759) 7.159 8.428 ( -0.625 -2.195 -1.888) 2.962 8.710 ( 14.652 8.867 -2.657) 17.331 8.793 ( 5.538 8.183 1.321) 9.969 8.997 ( 7.191 -0.401 0.716) 7.237 9.088 ( -13.627 -7.230 -3.028) 15.720 9.180 ( 6.903 -5.832 11.725) 14.804 9.402 ( -7.068 7.425 -3.324) 10.777 9.930 ( -9.072 1.940 -9.330) 13.157 10.343 ( 4.747 -1.367 -4.491) 6.676 10.358 ( -1.067 0.262 -6.638) 6.728 10.553 ( 6.875 4.427 -2.253) 8.482 12.204 ( -15.228 -1.691 -4.030) 15.843 12.586 ( 7.862 0.774 3.557) 8.664 12.769 ( -6.289 -3.184 -4.730) 8.488 13.383 ( 3.389 -6.747 -2.115) 7.841 13.721 ( -3.729 -5.107 -0.899) 6.387 14.229 ( 0.136 -1.133 -0.410) 1.213 14.447 ( 2.618 7.460 5.274) 9.504 14.526 ( -4.001 -2.381 8.583) 9.765 14.555 ( 12.914 -7.412 8.841) 17.317 14.643 ( -1.420 -5.371 4.309) 7.031 14.790 ( -1.089 -9.786 4.367) 10.771 14.886 ( -2.594 -4.000 5.373) 7.184 15.109 ( -12.563 1.434 -8.770) 15.389 15.281 ( 0.870 -5.026 7.154) 8.786 15.451 ( -2.789 -8.111 9.957) 13.142 15.716 ( 7.961 2.255 -8.984) 12.214 15.844 ( 10.612 -3.677 -5.606) 12.552 15.984 ( -3.630 1.816 9.138) 9.999 16.117 ( -4.714 0.449 7.866) 9.182 16.356 ( -5.282 -2.954 0.968) 6.129 16.597 ( -4.350 3.684 4.940) 7.543 16.939 ( 6.649 4.446 -6.191) 10.115 17.275 ( 5.265 4.663 -20.092) 21.287 17.372 ( 1.702 -6.038 -9.706) 11.557 17.615 ( -7.141 1.420 2.519) 7.704 17.934 ( 10.125 5.644 -19.673) 22.834 18.252 ( 3.124 13.006 -4.748) 14.193 18.369 ( -17.027 -1.731 5.372) 17.938 18.433 ( 3.225 19.638 -3.816) 20.264 19.013 ( -9.815 -3.995 -5.679) 12.023 19.349 ( 3.732 -0.679 8.583) 9.384 20.104 ( 1.965 7.459 2.964) 8.264 20.807 ( 5.323 -3.532 2.207) 6.758 21.118 ( -4.831 0.950 0.688) 4.971 21.215 ( 10.666 7.691 0.239) 13.151 21.425 ( -6.161 -6.014 1.195) 8.692 21.517 ( 7.851 -4.906 7.216) 11.737 21.760 ( -5.691 3.417 -5.724) 8.765 21.926 ( -1.502 3.239 4.638) 5.853 22.200 ( 1.778 0.420 -1.764) 2.539 ======================= Grid point 139 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.371 12.076 5.747) 13.582 2.014 ( 1.880 5.514 1.625) 6.048 2.819 ( -0.880 7.190 -0.424) 7.256 2.847 ( -0.136 13.462 5.395) 14.503 3.030 ( -9.454 43.196 7.545) 44.858 3.149 ( -0.306 29.132 -9.614) 30.679 3.301 ( 2.222 13.765 0.546) 13.954 3.491 ( -0.473 32.947 0.375) 32.953 3.594 ( -2.424 4.437 11.893) 12.923 3.714 ( 4.398 5.304 4.453) 8.204 3.870 ( 4.566 -4.119 -3.928) 7.296 4.097 ( -6.539 12.778 10.761) 17.940 4.358 ( -0.085 4.202 -3.180) 5.271 4.465 ( -3.859 1.111 -1.406) 4.255 4.895 ( -8.101 -3.967 13.445) 16.190 5.008 ( -5.405 -0.793 -10.329) 11.685 5.085 ( 5.917 -19.033 5.152) 20.587 5.254 ( -0.016 -21.212 0.571) 21.219 5.338 ( -8.050 -10.940 -1.453) 13.660 5.442 ( -2.287 -21.021 -2.670) 21.313 5.560 ( -9.508 -5.135 -5.024) 11.917 6.023 ( -8.782 2.969 -11.188) 14.529 6.214 ( 17.938 1.612 26.238) 31.824 6.437 ( 20.271 -1.213 9.618) 22.470 6.469 ( 8.489 3.267 2.536) 9.443 6.562 ( 0.581 -2.518 5.677) 6.237 6.623 ( 0.419 -3.512 -2.583) 4.380 6.670 ( -2.926 -1.815 0.388) 3.465 6.841 ( -3.672 -1.992 -6.601) 7.812 6.917 ( -7.204 -0.970 -0.029) 7.269 7.067 ( -0.112 -6.910 0.256) 6.916 7.139 ( 0.524 -0.889 2.517) 2.720 7.285 ( -5.383 0.324 0.107) 5.394 7.428 ( 1.372 -3.934 1.776) 4.529 7.542 ( -1.725 -2.200 0.020) 2.796 7.633 ( 3.249 -24.259 -2.364) 24.589 7.725 ( 10.820 3.585 -0.290) 11.402 8.036 ( 9.446 2.989 -1.108) 9.970 8.169 ( 8.338 -3.240 -0.549) 8.962 8.447 ( -10.581 -4.734 -7.581) 13.851 8.642 ( 17.442 13.099 -5.580) 22.515 8.676 ( 7.111 9.648 2.875) 12.326 8.917 ( -6.775 8.504 -4.253) 11.675 9.029 ( -4.985 5.547 -4.369) 8.643 9.199 ( -13.816 -0.262 -5.136) 14.742 9.412 ( 8.826 -7.045 7.634) 13.631 9.799 ( -10.107 2.198 -7.944) 13.041 10.295 ( -0.276 5.451 -9.913) 11.316 10.389 ( 1.653 3.996 -7.280) 8.467 10.508 ( 0.168 0.897 -4.326) 4.421 12.118 ( -10.414 -1.507 -0.462) 10.533 12.638 ( 9.030 0.499 5.113) 10.389 12.832 ( -3.029 -7.524 0.421) 8.122 13.539 ( 0.885 -7.001 -4.371) 8.300 13.797 ( -1.542 -3.333 1.342) 3.910 14.211 ( -2.473 1.712 -1.742) 3.476 14.345 ( 4.391 5.017 4.181) 7.869 14.509 ( -3.791 -0.084 13.011) 13.552 14.708 ( -1.117 -6.619 6.861) 9.599 14.810 ( 3.847 -4.959 1.364) 6.422 14.890 ( -8.587 -0.428 -9.456) 12.780 15.013 ( 2.356 -6.532 -2.302) 7.316 15.188 ( 2.966 -18.160 4.301) 18.896 15.450 ( -3.415 -11.034 16.632) 20.249 15.605 ( -1.343 -10.401 6.948) 12.580 15.692 ( 12.132 8.338 0.107) 14.722 15.925 ( -6.680 -5.491 6.803) 11.002 16.006 ( 3.571 -5.780 -0.774) 6.838 16.093 ( -1.885 -1.503 1.978) 3.118 16.370 ( -7.104 -3.423 -0.646) 7.912 16.495 ( -0.953 3.396 -1.070) 3.686 16.868 ( -2.785 1.991 7.305) 8.067 17.300 ( 10.189 -0.479 -25.958) 27.890 17.498 ( 6.804 -2.917 -9.499) 12.043 17.587 ( -6.468 -4.694 3.743) 8.825 17.891 ( 7.508 10.198 -13.986) 18.867 18.017 ( 5.488 12.046 -6.999) 14.973 18.060 ( 1.414 20.899 -4.306) 21.385 18.228 ( -17.143 0.794 6.306) 18.283 18.760 ( -9.602 18.960 -6.433) 22.205 19.422 ( 0.359 -2.463 7.777) 8.165 20.043 ( 4.527 1.883 2.660) 5.578 20.921 ( 9.755 -0.314 1.724) 9.912 21.036 ( -4.295 2.298 -1.579) 5.121 21.180 ( 9.083 5.755 2.169) 10.969 21.494 ( -4.772 -5.592 1.789) 7.566 21.614 ( -3.181 4.032 -4.246) 6.664 21.680 ( 5.752 -2.140 4.434) 7.571 21.809 ( -4.063 6.991 0.228) 8.089 22.198 ( -1.296 -0.759 -0.201) 1.515 ======================= Grid point 140 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 1.080 12.394 20.749) 24.193 1.727 ( -1.774 56.235 12.330) 57.598 2.015 ( 8.819 4.677 1.272) 10.063 2.594 ( -6.711 22.937 -10.775) 26.215 2.724 ( -16.605 2.684 38.017) 41.572 2.967 ( 11.117 2.827 -15.961) 19.656 2.985 ( 6.125 15.460 -3.391) 16.971 3.096 ( -1.290 9.324 -4.325) 10.358 3.582 ( 4.219 0.477 -4.218) 5.985 3.693 ( 5.231 2.828 7.930) 9.912 3.794 ( -7.478 9.445 18.521) 22.094 3.965 ( 3.454 0.117 -2.916) 4.522 4.313 ( -0.119 0.821 -1.079) 1.361 4.442 ( 1.364 0.375 -10.575) 10.669 4.819 ( -19.557 -2.128 13.595) 23.913 4.988 ( 1.022 -0.509 -16.149) 16.189 5.182 ( -12.799 1.085 2.154) 13.024 5.525 ( -6.129 -7.247 -7.004) 11.796 5.620 ( -4.432 -14.073 -3.842) 15.247 5.646 ( 0.983 -16.584 -1.639) 16.693 5.832 ( -3.438 -14.930 -4.176) 15.880 5.859 ( -11.046 -1.751 -4.727) 12.141 6.290 ( -8.564 -0.251 7.896) 11.651 6.481 ( 4.728 0.801 5.206) 7.078 6.550 ( 21.342 8.533 14.626) 27.243 6.669 ( 12.769 -3.339 10.908) 17.123 6.708 ( 4.329 -3.233 -0.922) 5.481 6.724 ( 11.107 -2.945 7.101) 13.507 6.845 ( 1.369 0.456 -2.380) 2.783 6.874 ( 0.051 2.308 4.248) 4.834 7.128 ( -2.788 -2.423 0.756) 3.771 7.211 ( 1.206 -0.444 2.343) 2.672 7.263 ( 4.418 -3.821 4.452) 7.344 7.513 ( 4.418 2.396 4.006) 6.427 7.574 ( 3.119 -0.871 8.623) 9.211 7.771 ( 6.372 -2.419 0.400) 6.827 8.025 ( 4.613 1.978 -6.832) 8.478 8.065 ( -3.320 -15.391 -1.043) 15.780 8.261 ( -7.215 -2.042 -7.415) 10.546 8.397 ( -21.479 -4.570 -10.257) 24.237 8.530 ( 15.956 9.439 -2.633) 18.725 8.602 ( 10.153 7.616 -5.306) 13.757 8.700 ( 7.034 9.462 -0.324) 11.795 8.832 ( 0.277 10.106 -5.474) 11.496 9.127 ( -20.674 -5.477 -7.622) 22.705 9.472 ( -12.307 6.763 -13.463) 19.454 9.704 ( -12.849 -0.458 -3.939) 13.447 9.970 ( -8.859 15.002 -5.431) 18.249 10.343 ( 2.510 1.141 -4.074) 4.919 10.532 ( -2.127 -2.417 -3.145) 4.501 12.106 ( 3.720 -0.284 1.281) 3.944 12.755 ( 13.177 -0.988 3.958) 13.794 12.998 ( 8.372 -9.438 7.383) 14.618 13.625 ( -0.630 -2.152 -2.926) 3.686 13.791 ( 2.952 2.557 3.117) 4.997 14.185 ( 2.863 0.777 -2.910) 4.155 14.333 ( 8.526 3.277 0.016) 9.134 14.487 ( -1.742 -0.019 11.673) 11.802 14.711 ( -16.539 2.659 -13.558) 21.551 14.829 ( -0.678 -4.801 7.634) 9.043 14.926 ( 2.182 -3.659 2.708) 5.048 15.176 ( 8.535 -5.010 -3.088) 10.368 15.512 ( -12.465 -3.843 25.966) 29.058 15.530 ( 7.132 -9.359 4.204) 12.495 15.638 ( 11.619 5.110 6.256) 14.151 15.709 ( -2.325 -2.964 9.008) 9.764 16.085 ( 0.671 -0.949 0.349) 1.214 16.175 ( -1.321 -10.130 -1.946) 10.399 16.299 ( -3.138 -22.868 -2.108) 23.179 16.350 ( -7.204 -1.981 -1.485) 7.617 16.546 ( -0.788 -17.666 -2.139) 17.812 16.856 ( -4.689 -3.000 7.705) 9.505 17.394 ( 9.898 2.799 -18.292) 20.985 17.517 ( 3.135 14.123 -4.407) 15.124 17.623 ( 9.956 1.312 -6.719) 12.082 17.692 ( -4.778 1.296 -3.027) 5.803 17.764 ( -1.496 6.275 1.023) 6.531 17.948 ( 10.019 10.374 -10.013) 17.557 18.059 ( -10.600 4.795 4.174) 12.360 18.279 ( -5.009 17.633 -13.306) 22.651 19.434 ( -2.489 -0.010 8.589) 8.942 20.084 ( 5.189 -0.662 1.394) 5.413 20.945 ( 3.093 3.512 -2.882) 5.496 21.002 ( 2.605 0.509 1.072) 2.863 21.159 ( 7.023 4.397 1.410) 8.405 21.409 ( -13.087 10.614 -5.108) 17.608 21.514 ( -2.477 -0.036 0.697) 2.573 21.674 ( -4.052 0.109 -1.247) 4.241 21.790 ( 5.982 -1.864 6.603) 9.102 22.212 ( -3.343 -2.372 0.629) 4.147 ======================= Grid point 142 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -11.555 -0.000 20.322) 23.378 1.370 ( 21.417 0.000 23.102) 31.502 2.119 ( -5.244 -0.000 -14.275) 15.208 2.374 ( 10.522 0.000 -6.698) 12.473 2.826 ( -9.220 -0.000 -5.082) 10.528 2.859 ( 31.897 0.000 44.250) 54.548 2.951 ( 2.667 0.000 -0.430) 2.702 3.277 ( 6.156 0.000 -15.452) 16.633 3.520 ( -14.559 -0.000 -24.490) 28.491 3.688 ( 6.515 0.000 16.964) 18.172 3.732 ( -1.865 -0.000 7.530) 7.757 3.816 ( 3.262 0.000 -11.251) 11.714 4.117 ( -17.156 -0.000 -2.249) 17.303 4.341 ( -0.710 -0.000 5.420) 5.467 4.859 ( 9.354 0.000 5.282) 10.742 5.074 ( 4.211 0.000 13.052) 13.714 5.210 ( 12.866 0.000 -22.674) 26.070 5.301 ( -16.795 -0.000 24.414) 29.633 5.446 ( -4.023 -0.000 9.806) 10.599 5.633 ( -4.622 -0.000 0.036) 4.622 5.708 ( -7.961 -0.000 -0.648) 7.988 5.880 ( -2.282 -0.000 1.706) 2.849 6.055 ( 7.295 0.000 -16.627) 18.157 6.543 ( 5.974 0.000 5.269) 7.966 6.741 ( -1.843 -0.000 1.237) 2.219 6.769 ( -1.088 -0.000 0.277) 1.123 6.828 ( -1.299 -0.000 -2.177) 2.535 7.061 ( -19.149 -0.000 9.393) 21.328 7.075 ( -1.552 -0.000 -3.057) 3.429 7.159 ( -15.370 -0.000 -5.814) 16.433 7.264 ( 9.825 0.000 3.202) 10.334 7.321 ( -25.493 -0.000 -4.334) 25.858 7.454 ( 8.662 0.000 12.452) 15.168 7.480 ( -0.091 -0.000 5.572) 5.573 7.517 ( 34.816 0.000 18.747) 39.543 7.543 ( -8.876 -0.000 1.772) 9.051 7.897 ( -9.540 -0.000 -0.880) 9.581 7.900 ( -6.409 -0.000 20.401) 21.384 8.010 ( 10.612 0.000 5.573) 11.987 8.100 ( -17.985 -0.000 -18.798) 26.016 8.249 ( -7.085 -0.000 -5.234) 8.808 8.520 ( -3.261 -0.000 -2.341) 4.014 8.658 ( -8.446 -0.000 -2.887) 8.926 8.701 ( -14.391 -0.000 -9.641) 17.322 8.764 ( -0.979 -0.000 -4.124) 4.239 9.150 ( 18.686 0.000 2.287) 18.826 9.712 ( 16.989 0.000 -5.279) 17.790 10.152 ( 8.008 0.000 3.858) 8.888 10.430 ( 3.162 0.000 -6.520) 7.246 10.468 ( -2.826 -0.000 -2.607) 3.845 12.265 ( 6.530 0.000 -4.030) 7.673 12.826 ( -2.966 -0.000 -1.263) 3.224 13.548 ( 8.137 0.000 -7.941) 11.370 13.645 ( 0.781 0.000 0.284) 0.831 14.004 ( 3.583 0.000 0.528) 3.622 14.173 ( -4.188 -0.000 -4.388) 6.066 14.205 ( -3.553 -0.000 -3.700) 5.129 14.443 ( 0.388 0.000 5.231) 5.245 14.760 ( 2.820 0.000 3.285) 4.330 14.895 ( -2.768 -0.000 8.251) 8.703 15.138 ( -6.055 -0.000 13.980) 15.235 15.296 ( 7.590 0.000 -10.040) 12.586 15.409 ( 10.896 0.000 -10.052) 14.825 15.577 ( -1.293 -0.000 5.204) 5.362 15.811 ( -18.048 -0.000 -5.155) 18.770 15.898 ( 10.322 0.000 5.030) 11.482 16.014 ( 13.434 0.000 8.155) 15.715 16.324 ( 2.207 0.000 -5.517) 5.942 16.324 ( 1.953 0.000 -1.243) 2.315 16.455 ( 3.116 0.000 -8.594) 9.141 16.858 ( 4.161 0.000 -8.865) 9.793 17.185 ( -0.311 -0.000 -0.336) 0.458 17.197 ( -1.931 -0.000 6.849) 7.116 17.248 ( 0.209 0.000 0.370) 0.425 17.426 ( -15.825 -0.000 3.745) 16.262 17.585 ( -0.727 -0.000 -0.112) 0.736 17.840 ( 11.809 0.000 -28.864) 31.187 17.886 ( 1.009 0.000 0.013) 1.009 18.138 ( 9.863 0.000 -14.093) 17.202 18.431 ( 10.981 0.000 -1.694) 11.111 19.337 ( -4.749 -0.000 10.532) 11.553 20.215 ( 1.949 0.000 -2.934) 3.523 20.416 ( -29.573 -0.000 6.143) 30.204 20.821 ( -5.006 -0.000 7.481) 9.002 21.138 ( -0.449 -0.000 1.648) 1.708 21.329 ( 4.539 0.000 0.222) 4.544 21.506 ( 2.568 0.000 -0.091) 2.569 21.691 ( 4.661 0.000 3.476) 5.814 21.891 ( -1.132 -0.000 3.677) 3.847 22.137 ( -2.658 -0.000 1.304) 2.961 ======================= Grid point 143 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -4.627 -4.463 14.541) 15.899 1.898 ( 14.389 -28.400 15.610) 35.458 2.448 ( 4.117 -8.288 -8.525) 12.582 2.495 ( 2.327 -32.012 -7.387) 32.936 2.875 ( -9.192 -14.660 -3.145) 17.587 3.075 ( -0.717 -10.411 -2.333) 10.693 3.122 ( 0.744 -3.835 -2.848) 4.834 3.372 ( 3.867 -3.257 -10.060) 11.259 3.535 ( 13.647 -11.781 7.703) 19.605 3.679 ( -6.504 0.283 2.299) 6.904 3.856 ( 0.676 -2.102 -2.676) 3.469 3.891 ( 12.471 -8.613 17.564) 23.199 4.023 ( -3.727 -3.163 1.472) 5.105 4.334 ( 3.603 1.655 3.935) 5.586 4.856 ( -16.477 6.960 8.876) 19.968 4.940 ( 3.646 0.867 13.686) 14.190 5.237 ( 4.238 2.055 8.639) 9.840 5.384 ( 6.604 -1.173 -8.545) 10.863 5.491 ( 0.701 5.817 3.345) 6.747 5.538 ( 12.225 -0.861 11.504) 16.809 5.550 ( -2.213 11.643 0.809) 11.879 5.730 ( 1.905 15.264 2.699) 15.618 6.060 ( 7.363 7.285 -11.982) 15.838 6.462 ( -1.599 11.193 2.240) 11.527 6.624 ( -5.720 4.168 1.044) 7.154 6.728 ( -4.641 1.735 -1.048) 5.064 6.796 ( -1.118 0.159 -1.010) 1.515 6.918 ( -14.267 1.720 -5.912) 15.539 7.063 ( -7.943 -1.420 0.266) 8.074 7.145 ( -10.058 -8.339 -4.786) 13.914 7.203 ( -17.833 -7.661 1.607) 19.476 7.336 ( -1.332 -0.450 -0.066) 1.408 7.375 ( -8.028 3.419 0.377) 8.734 7.454 ( -3.137 1.868 3.524) 5.074 7.529 ( -1.457 -1.188 0.478) 1.939 7.737 ( 1.724 5.520 3.276) 6.647 7.886 ( 9.901 1.596 11.025) 14.905 7.951 ( -4.030 -5.694 5.106) 8.645 7.982 ( -0.819 -5.295 -1.160) 5.482 8.059 ( -4.002 3.111 -3.616) 6.227 8.226 ( 4.713 -4.675 5.602) 8.686 8.546 ( 3.468 -2.061 0.395) 4.053 8.615 ( -9.264 -4.306 -1.169) 10.282 8.653 ( -9.918 -7.547 -3.606) 12.974 8.925 ( -5.688 -17.672 -6.606) 19.705 9.288 ( 19.544 3.087 2.164) 19.904 9.877 ( 16.297 -1.534 -4.511) 16.979 10.199 ( 2.477 -0.513 -1.640) 3.015 10.425 ( 0.421 2.941 -0.087) 2.972 10.449 ( 1.268 -0.048 -7.734) 7.837 12.338 ( 8.727 -0.871 -3.155) 9.320 12.795 ( -5.749 -0.835 -3.933) 7.015 13.401 ( -0.395 17.682 -7.890) 19.366 13.587 ( 0.396 6.719 0.165) 6.733 13.995 ( -3.746 -1.844 -5.641) 7.018 14.186 ( 2.899 -3.016 0.714) 4.243 14.297 ( 9.673 -1.743 4.970) 11.013 14.483 ( 1.623 -2.638 5.478) 6.293 14.805 ( -5.396 -5.018 8.938) 11.583 14.862 ( -0.970 1.028 6.433) 6.587 15.030 ( -7.371 4.180 15.460) 17.630 15.302 ( -3.248 0.937 -0.252) 3.390 15.410 ( 5.034 6.139 -8.882) 11.913 15.505 ( 15.005 16.312 -10.888) 24.694 15.624 ( -20.708 1.650 -5.866) 21.586 15.927 ( 7.354 5.015 0.439) 8.912 16.079 ( 0.628 14.933 -0.330) 14.950 16.142 ( 4.685 4.572 1.142) 6.645 16.292 ( 3.071 26.983 -0.323) 27.159 16.356 ( 4.605 0.109 1.458) 4.831 16.556 ( 1.434 10.556 -0.853) 10.687 16.818 ( 3.496 7.998 -6.504) 10.885 17.215 ( -11.063 5.265 0.555) 12.265 17.474 ( -1.279 -17.500 -2.016) 17.662 17.633 ( -4.017 -6.317 2.141) 7.787 17.808 ( 3.893 0.374 -6.651) 7.715 17.874 ( -4.211 -20.560 -2.814) 21.175 18.009 ( 12.337 -12.719 -12.145) 21.482 18.221 ( 7.743 -1.305 -13.694) 15.786 18.555 ( 10.845 -3.612 0.940) 11.469 19.327 ( -4.031 -1.903 8.813) 9.876 20.207 ( -3.815 -0.750 -5.110) 6.421 20.467 ( -18.066 -20.674 0.422) 27.459 20.816 ( -3.433 -3.158 9.019) 10.154 21.135 ( -0.811 -0.095 2.587) 2.713 21.359 ( -2.945 -1.239 0.839) 3.304 21.571 ( 7.173 -2.510 0.984) 7.663 21.718 ( 6.198 1.406 3.200) 7.115 21.859 ( -3.814 0.765 0.772) 3.966 22.112 ( -1.026 0.852 2.661) 2.976 ======================= Grid point 144 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 1.746 -8.345 4.528) 9.653 2.423 ( 5.894 -8.734 -9.873) 14.440 2.663 ( 7.089 -23.020 14.370) 28.048 3.031 ( -6.197 -1.813 -6.876) 9.432 3.181 ( -0.826 -21.663 -0.527) 21.685 3.267 ( 0.945 -15.905 -8.328) 17.978 3.344 ( -4.629 -20.082 -3.209) 20.858 3.510 ( -2.947 -3.538 -5.448) 7.133 3.617 ( -7.935 -15.036 -5.216) 17.784 3.728 ( -9.541 -19.514 -5.378) 22.378 4.030 ( -12.009 -5.149 16.218) 20.827 4.124 ( 13.299 -9.091 1.011) 16.141 4.306 ( 12.513 -8.840 6.523) 16.652 4.509 ( 35.244 -14.597 21.556) 43.817 4.586 ( -18.059 2.602 14.935) 23.579 4.998 ( 11.228 3.149 7.133) 13.670 5.144 ( -0.076 14.328 3.341) 14.712 5.257 ( -0.388 11.938 3.477) 12.440 5.294 ( 6.000 9.306 2.147) 11.278 5.386 ( 0.931 15.847 1.870) 15.985 5.572 ( 18.653 4.150 4.302) 19.588 5.702 ( 9.499 -1.516 3.765) 10.330 5.903 ( 2.115 12.691 -2.697) 13.146 6.238 ( -7.930 5.279 1.027) 9.581 6.551 ( -0.998 2.573 1.489) 3.136 6.612 ( -9.933 3.681 -4.300) 11.433 6.743 ( -1.904 6.466 -4.856) 8.308 6.784 ( -6.481 0.383 -0.817) 6.544 6.937 ( -3.517 7.773 2.639) 8.931 7.064 ( -19.105 1.027 -5.941) 20.033 7.166 ( -2.805 7.810 2.588) 8.692 7.239 ( -7.783 1.901 0.056) 8.012 7.349 ( -9.198 0.857 -4.294) 10.187 7.400 ( -4.468 -1.682 -4.457) 6.531 7.482 ( -7.149 -0.497 -4.958) 8.714 7.629 ( -5.387 1.959 -6.132) 8.394 7.845 ( 1.497 3.318 -4.652) 5.907 7.900 ( -9.939 -0.076 -1.257) 10.018 8.004 ( -2.169 -4.420 6.731) 8.340 8.273 ( -0.755 -14.117 2.881) 14.428 8.362 ( 2.538 -3.818 3.966) 6.062 8.592 ( 3.036 -0.913 7.036) 7.717 8.696 ( 2.247 -6.724 3.195) 7.776 8.827 ( 4.778 -11.448 4.036) 13.045 9.192 ( -1.973 -11.408 -5.599) 12.860 9.385 ( 13.110 1.114 1.232) 13.215 10.006 ( 8.494 0.075 -6.681) 10.807 10.230 ( -2.638 -2.681 -4.799) 6.097 10.400 ( 5.765 1.106 1.777) 6.133 10.446 ( -0.202 0.366 -8.117) 8.128 12.437 ( 10.641 -0.405 -2.352) 10.905 12.752 ( -7.759 -0.800 -5.592) 9.597 12.993 ( -4.417 20.903 -5.620) 22.091 13.439 ( 0.491 8.599 -0.068) 8.613 13.979 ( 0.247 3.545 -4.721) 5.909 14.220 ( -1.284 0.361 0.989) 1.660 14.418 ( 17.936 1.693 10.177) 20.692 14.555 ( 3.844 -0.209 6.650) 7.684 14.797 ( -6.309 3.194 18.379) 19.693 14.823 ( -1.525 4.188 0.750) 4.520 14.948 ( -6.094 -2.614 11.479) 13.257 15.138 ( 4.672 17.621 -5.072) 18.922 15.236 ( -0.704 10.177 -2.801) 10.579 15.371 ( 1.997 2.017 1.464) 3.193 15.394 ( -17.807 4.120 -3.605) 18.630 15.571 ( -1.207 25.112 0.430) 25.145 15.906 ( 6.237 2.709 -17.783) 19.039 16.024 ( 3.489 3.869 9.322) 10.679 16.148 ( -1.981 0.844 -0.829) 2.307 16.411 ( 3.495 -0.110 8.005) 8.736 16.591 ( 1.587 -7.513 -3.953) 8.636 16.726 ( 2.218 3.823 -2.612) 5.134 17.099 ( -2.094 1.092 -9.636) 9.922 17.548 ( -4.198 2.057 4.289) 6.345 17.810 ( 0.826 -7.317 -6.523) 9.837 17.942 ( -2.347 -14.648 -9.243) 17.478 17.999 ( 0.811 -4.353 -13.656) 14.356 18.293 ( 5.605 -0.389 -11.683) 12.963 18.473 ( 5.870 -17.589 2.882) 18.765 18.736 ( 14.639 -3.640 3.258) 15.433 19.325 ( -4.705 -1.434 6.725) 8.332 20.167 ( -4.226 0.368 -4.743) 6.363 20.710 ( -15.257 -19.067 -3.710) 24.700 20.864 ( -1.118 -2.251 5.978) 6.485 21.147 ( 1.674 -1.987 6.956) 7.425 21.326 ( -5.922 0.149 0.960) 6.001 21.622 ( 9.145 5.516 4.312) 11.517 21.815 ( -5.580 -0.601 -2.392) 6.101 21.824 ( 4.443 -7.070 1.209) 8.438 22.095 ( -0.246 0.210 2.642) 2.661 ======================= Grid point 145 (69/129) ======================= q-point: ( 0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 5.231 -7.707 -3.039) 9.798 2.513 ( 2.007 -1.623 -15.963) 16.170 2.899 ( 2.533 7.083 3.089) 8.132 3.292 ( 1.116 -5.050 -0.431) 5.190 3.299 ( 0.768 -14.139 6.403) 15.540 3.411 ( -3.028 -9.304 -7.791) 12.507 3.617 ( -8.268 -11.774 9.408) 17.190 3.653 ( -7.395 -18.607 -4.491) 20.520 3.697 ( -2.558 -9.902 5.387) 11.559 3.934 ( -14.576 -3.758 16.760) 22.527 4.298 ( -0.245 -7.369 0.137) 7.375 4.459 ( -1.899 0.325 -2.852) 3.441 4.527 ( 5.539 -28.106 -2.665) 28.770 4.668 ( 7.990 -21.252 10.028) 24.820 4.813 ( 6.192 12.407 1.375) 13.934 4.897 ( 4.702 14.980 -0.043) 15.701 4.951 ( 8.288 11.231 -0.561) 13.970 5.090 ( 2.234 1.963 5.749) 6.473 5.245 ( 12.086 -6.417 11.240) 17.708 5.344 ( 10.881 10.510 2.953) 15.414 5.608 ( 5.493 0.543 7.607) 9.399 5.669 ( -1.776 11.096 0.214) 11.240 5.750 ( 13.400 2.442 16.526) 21.416 6.162 ( -4.965 -2.885 1.897) 6.047 6.431 ( -8.306 4.858 -5.307) 10.989 6.480 ( 3.385 6.513 1.173) 7.433 6.620 ( -3.318 10.029 -4.524) 11.492 6.664 ( -2.523 0.472 -1.785) 3.126 6.828 ( -5.669 1.676 3.655) 6.950 6.862 ( -2.800 6.389 2.625) 7.453 6.970 ( -1.650 7.370 1.088) 7.631 7.112 ( -6.287 2.230 -0.447) 6.685 7.228 ( -12.033 -0.427 -3.695) 12.594 7.282 ( -20.629 4.407 -17.853) 27.635 7.478 ( 0.942 -0.771 -2.817) 3.069 7.623 ( 6.196 -1.616 -8.753) 10.845 7.794 ( -0.920 3.417 -3.230) 4.791 7.880 ( -3.108 -3.619 -1.914) 5.140 8.069 ( -5.462 -5.362 6.196) 9.847 8.385 ( -1.231 0.690 3.983) 4.226 8.482 ( -13.854 -15.359 -4.023) 21.072 8.700 ( 7.854 -3.791 0.557) 8.739 8.863 ( 6.459 -6.966 12.289) 15.533 9.065 ( 6.799 -6.664 4.596) 10.572 9.263 ( 12.554 6.892 -1.780) 14.432 9.469 ( -0.510 -2.840 -1.194) 3.123 10.005 ( -3.102 1.955 -9.023) 9.739 10.252 ( 1.838 -1.390 -3.055) 3.827 10.408 ( -1.496 1.182 -8.430) 8.643 10.514 ( 5.332 -4.762 -0.636) 7.177 12.453 ( 3.584 11.338 -4.151) 12.594 12.651 ( 4.457 5.724 2.145) 7.565 12.712 ( -9.006 -0.082 -6.908) 11.350 13.315 ( 0.424 4.173 -0.855) 4.280 13.836 ( 0.112 10.290 -3.002) 10.720 14.211 ( 1.282 0.225 -0.017) 1.301 14.488 ( -1.097 3.830 7.582) 8.565 14.534 ( 15.402 8.749 9.968) 20.326 14.617 ( -0.316 5.991 -0.467) 6.017 14.738 ( -3.496 0.432 18.194) 18.532 14.907 ( -3.387 18.196 -2.108) 18.628 14.928 ( -2.052 2.621 2.373) 4.088 15.040 ( -5.997 -5.359 12.823) 15.137 15.261 ( -4.857 4.251 0.794) 6.503 15.306 ( -4.117 0.855 -1.550) 4.482 15.449 ( 0.383 -7.325 -1.806) 7.554 15.917 ( 8.471 1.896 -16.731) 18.849 16.028 ( 2.592 0.858 5.562) 6.196 16.112 ( -3.539 -0.078 -1.920) 4.027 16.395 ( -0.162 3.247 8.759) 9.342 16.685 ( -0.120 2.463 7.032) 7.452 16.792 ( 0.762 -11.576 -7.401) 13.761 17.128 ( 5.351 -2.934 -18.800) 19.766 17.471 ( -3.128 2.635 2.849) 4.985 17.810 ( -2.528 3.840 -12.520) 13.337 18.038 ( 0.492 -1.792 -14.828) 14.944 18.290 ( 1.014 -13.130 -8.005) 15.411 18.308 ( -4.733 -6.310 -3.108) 8.478 18.688 ( 9.672 0.823 0.140) 9.708 18.896 ( 9.707 1.228 5.731) 11.340 19.314 ( -4.118 -2.146 5.731) 7.376 20.156 ( -4.148 -3.742 -2.024) 5.941 20.816 ( -4.256 1.161 -1.982) 4.836 20.918 ( -6.250 -10.733 1.275) 12.485 21.240 ( -5.369 -1.793 1.020) 5.752 21.300 ( 5.067 -4.506 10.458) 12.464 21.582 ( 10.910 7.581 3.938) 13.857 21.780 ( -6.763 -1.250 -4.256) 8.088 21.950 ( -0.622 -2.706 3.067) 4.137 22.125 ( 1.149 -3.524 -0.251) 3.715 ======================= Grid point 146 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 5.078 -4.695 -7.634) 10.301 2.493 ( 3.720 7.713 -12.954) 15.528 2.798 ( 6.568 5.420 6.428) 10.669 3.094 ( -9.106 7.130 6.712) 13.372 3.490 ( -10.878 -3.346 8.730) 14.344 3.616 ( 4.014 -6.500 3.808) 8.536 3.722 ( 9.529 2.356 5.316) 11.163 3.811 ( -8.172 -5.892 -4.013) 10.844 4.002 ( 6.371 -23.904 9.109) 26.363 4.059 ( -10.027 -10.289 1.737) 14.471 4.289 ( -5.613 6.617 -2.325) 8.983 4.443 ( 3.007 4.072 -7.107) 8.725 4.642 ( 1.550 -0.023 1.114) 1.909 4.696 ( 0.412 2.616 -0.951) 2.814 4.747 ( 3.231 2.812 4.930) 6.530 4.873 ( 4.326 6.083 6.405) 9.835 4.937 ( -5.724 26.080 -3.458) 26.924 5.031 ( 1.299 1.326 7.734) 7.954 5.100 ( 2.144 -2.567 5.321) 6.285 5.168 ( -2.230 36.265 4.751) 36.642 5.373 ( -4.962 -4.206 1.331) 6.639 5.996 ( 3.848 -35.129 5.441) 35.755 6.071 ( 19.682 -7.465 12.093) 24.276 6.236 ( -3.946 -8.207 1.179) 9.182 6.310 ( 1.957 3.380 2.354) 4.560 6.452 ( 6.537 1.569 2.466) 7.160 6.485 ( -2.119 0.787 -3.356) 4.047 6.642 ( -6.392 -1.880 -1.363) 6.801 6.759 ( -3.232 -0.192 1.585) 3.605 6.810 ( 0.930 1.060 0.477) 1.488 6.900 ( -7.831 0.354 -4.770) 9.176 6.987 ( -13.677 0.823 -12.049) 18.246 7.086 ( 2.841 -0.738 3.758) 4.769 7.208 ( 4.818 -0.160 4.530) 6.615 7.492 ( 1.100 -0.149 -3.390) 3.567 7.616 ( -3.994 5.593 -8.443) 10.887 7.797 ( 8.996 -1.628 -6.480) 11.206 7.970 ( 6.346 -4.715 0.888) 7.956 8.099 ( -9.023 -4.249 3.402) 10.538 8.350 ( -1.590 1.375 3.698) 4.254 8.632 ( -15.772 -14.619 -4.978) 22.074 8.794 ( 2.142 -1.260 -8.679) 9.028 9.070 ( 10.253 -5.391 13.268) 17.613 9.134 ( -5.430 1.183 -3.553) 6.596 9.221 ( 15.561 8.540 3.421) 18.077 9.466 ( 1.583 3.224 0.059) 3.592 9.900 ( -7.556 3.300 -7.187) 10.938 10.310 ( 1.456 -2.836 -5.070) 5.989 10.368 ( -0.789 1.332 -7.468) 7.627 10.616 ( 1.720 -1.831 -4.483) 5.139 12.209 ( -1.086 10.467 0.539) 10.537 12.653 ( -6.841 -1.433 -3.713) 7.915 12.698 ( 9.392 0.484 0.867) 9.445 13.304 ( -0.242 -2.726 -2.233) 3.532 13.693 ( 1.526 3.962 -0.051) 4.246 14.223 ( 1.440 -0.223 -2.474) 2.872 14.429 ( -7.415 -1.075 5.611) 9.361 14.465 ( -0.192 -1.311 -0.971) 1.643 14.553 ( -7.156 5.043 3.521) 9.435 14.689 ( 5.543 3.720 11.193) 13.033 14.772 ( 10.232 0.869 6.925) 12.386 14.863 ( -0.774 2.025 6.475) 6.828 15.090 ( -6.055 5.097 -0.348) 7.923 15.133 ( -4.966 -7.428 14.877) 17.354 15.337 ( -1.560 -3.644 1.780) 4.345 15.613 ( -0.806 -9.299 -6.537) 11.395 15.965 ( 7.712 1.000 -4.640) 9.055 16.022 ( 0.416 0.878 -0.464) 1.076 16.092 ( 0.887 1.068 -3.876) 4.117 16.322 ( -1.962 3.207 6.713) 7.694 16.624 ( -2.604 2.760 10.427) 11.096 16.987 ( 4.153 -5.849 -6.944) 9.984 17.260 ( 5.667 -6.098 -16.069) 18.097 17.402 ( 0.495 3.388 -5.877) 6.802 17.648 ( -6.268 7.631 -8.424) 12.980 18.056 ( 0.577 -0.270 -12.526) 12.542 18.235 ( -6.410 2.107 -6.300) 9.232 18.509 ( 5.792 5.688 -3.385) 8.795 18.717 ( -0.919 -1.603 -1.259) 2.236 18.830 ( 1.932 6.090 -0.063) 6.390 19.351 ( 0.268 -2.751 7.699) 8.180 20.186 ( -2.211 -0.129 2.224) 3.139 20.784 ( 2.655 -1.228 0.112) 2.928 21.057 ( -3.501 -7.783 2.880) 9.008 21.177 ( -8.937 -1.237 -1.214) 9.103 21.495 ( 9.333 -6.130 10.154) 15.093 21.541 ( 11.898 7.618 2.748) 14.393 21.730 ( -6.932 0.237 -5.522) 8.866 21.935 ( -4.097 1.103 4.408) 6.118 22.198 ( 0.206 -2.313 -3.166) 3.926 ======================= Grid point 147 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.586 1.619 -7.617) 7.809 2.303 ( 9.274 15.720 3.394) 18.564 2.807 ( -4.775 2.166 17.751) 18.510 2.907 ( -0.311 2.133 2.044) 2.971 3.468 ( 0.919 2.664 -4.000) 4.893 3.607 ( 6.095 16.008 2.667) 17.335 3.768 ( -2.017 -0.637 0.978) 2.331 3.809 ( -0.100 21.109 -5.173) 21.734 3.835 ( 5.298 -2.547 1.471) 6.060 4.082 ( 0.030 36.850 3.533) 37.019 4.139 ( -4.056 32.605 0.099) 32.856 4.282 ( 1.755 13.589 2.818) 13.989 4.417 ( 0.480 3.380 3.330) 4.769 4.524 ( -4.866 14.536 10.888) 18.802 4.664 ( 0.192 -20.538 -1.462) 20.591 4.805 ( -3.242 -5.833 -3.075) 7.347 4.857 ( -3.895 -13.726 -0.165) 14.269 4.955 ( -1.784 -7.812 1.082) 8.085 4.990 ( -3.275 -5.338 7.465) 9.744 5.238 ( -3.555 -5.192 2.424) 6.743 5.390 ( -6.139 -4.921 0.752) 7.903 6.062 ( -8.876 8.430 -10.466) 16.106 6.258 ( -17.658 -2.122 5.185) 18.525 6.383 ( 9.470 -4.346 3.706) 11.059 6.460 ( -2.449 -6.365 -2.782) 7.365 6.545 ( 9.875 -2.473 6.297) 11.970 6.579 ( 1.279 -6.673 1.312) 6.920 6.703 ( -1.255 -4.631 -6.973) 8.464 6.824 ( 1.725 -14.733 3.686) 15.285 6.858 ( 4.302 -4.983 3.825) 7.613 6.945 ( 7.477 -11.228 8.016) 15.692 7.040 ( 0.632 -5.143 -1.976) 5.545 7.181 ( 9.811 -3.584 6.446) 12.274 7.312 ( 8.735 -3.904 7.460) 12.133 7.433 ( -4.177 5.288 -4.399) 8.048 7.542 ( 4.723 -0.939 -2.073) 5.243 7.891 ( 10.497 1.483 -6.148) 12.255 8.074 ( -13.107 -3.630 -0.440) 13.608 8.143 ( 10.663 -4.068 1.033) 11.459 8.312 ( -1.813 1.384 -1.014) 2.496 8.731 ( -14.819 -9.099 -6.051) 18.412 8.784 ( -5.514 -0.334 -11.431) 12.696 8.976 ( -11.271 5.642 -6.790) 14.317 9.072 ( 9.123 11.310 -0.626) 14.544 9.343 ( 11.158 -2.452 10.569) 15.564 9.383 ( 4.152 6.122 1.197) 7.493 9.764 ( -7.818 3.569 -5.822) 10.381 10.336 ( -1.151 1.367 -7.292) 7.507 10.368 ( -0.378 -2.545 -6.020) 6.546 10.570 ( -6.199 5.022 -9.847) 12.673 12.103 ( 4.723 2.465 3.569) 6.412 12.659 ( -2.174 -4.846 -0.076) 5.312 12.770 ( 8.866 0.546 2.238) 9.160 13.392 ( -2.037 -7.293 -4.066) 8.595 13.725 ( 4.225 -3.710 2.373) 6.103 14.221 ( -1.627 0.687 -3.949) 4.326 14.343 ( -13.102 -1.415 -4.908) 14.062 14.480 ( -2.046 -0.349 14.358) 14.507 14.645 ( 0.801 -4.676 2.395) 5.315 14.656 ( -0.917 -9.022 2.725) 9.470 14.855 ( 6.908 0.944 -1.185) 7.072 14.927 ( 7.987 -4.850 6.485) 11.374 14.997 ( 0.365 -1.940 1.958) 2.780 15.241 ( -8.030 -8.303 20.858) 23.843 15.416 ( -0.268 -6.351 3.552) 7.282 15.748 ( -1.865 -6.351 -9.816) 11.839 15.963 ( 0.081 2.564 9.950) 10.276 16.023 ( -3.744 -2.049 -3.554) 5.554 16.067 ( 10.243 7.097 -4.078) 13.112 16.279 ( -2.717 -1.023 1.572) 3.301 16.561 ( -1.395 2.403 9.216) 9.626 16.980 ( -0.713 9.277 -1.764) 9.470 17.362 ( 3.237 1.237 -23.602) 23.855 17.421 ( -0.463 -7.465 2.234) 7.805 17.536 ( 5.716 0.080 -10.143) 11.643 18.044 ( -7.352 -1.076 -1.285) 7.541 18.131 ( 1.708 5.548 -13.424) 14.625 18.303 ( 2.510 15.597 -4.441) 16.410 18.483 ( 2.548 19.811 -2.183) 20.093 18.853 ( -7.704 -0.107 -4.569) 8.957 19.405 ( 1.752 -1.441 9.291) 9.564 20.124 ( 0.544 3.941 3.092) 5.039 20.899 ( 4.539 -5.397 2.044) 7.342 21.066 ( -1.119 2.768 4.263) 5.204 21.232 ( -5.452 -9.444 -0.325) 10.910 21.496 ( 9.523 7.108 1.700) 12.004 21.629 ( -3.103 1.544 -3.382) 4.843 21.688 ( 6.455 -2.470 5.808) 9.027 21.848 ( -7.786 3.319 2.129) 8.727 22.198 ( -1.778 1.052 -4.258) 4.733 ======================= Grid point 148 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -6.489 9.956 5.211) 12.977 2.140 ( 10.103 12.177 4.052) 16.334 2.612 ( -10.579 10.660 32.692) 35.976 2.986 ( 9.624 14.193 -11.591) 20.698 3.065 ( 10.344 32.905 3.884) 34.711 3.162 ( 2.918 31.236 -7.519) 32.260 3.328 ( 1.915 20.543 1.661) 20.699 3.479 ( -0.926 27.964 -1.586) 28.024 3.651 ( 4.889 4.052 -4.806) 7.963 3.765 ( 1.299 0.737 5.378) 5.582 3.921 ( -1.455 3.809 3.716) 5.516 4.073 ( 1.790 12.772 11.336) 17.171 4.340 ( -0.554 2.494 1.268) 2.853 4.467 ( 2.893 1.212 -7.632) 8.252 4.609 ( -19.514 -0.385 0.848) 19.537 4.950 ( -2.331 -2.353 3.056) 4.507 5.097 ( -3.435 -7.809 0.020) 8.531 5.180 ( -6.701 -16.072 2.334) 17.569 5.250 ( -0.529 -23.113 -0.479) 23.124 5.391 ( -2.133 -17.234 -3.591) 17.733 5.475 ( -1.173 -9.570 -1.927) 9.833 5.846 ( -7.308 6.019 -3.223) 10.001 6.088 ( -24.132 -1.771 -1.705) 24.257 6.423 ( -6.084 -1.442 3.221) 7.033 6.592 ( -0.135 -6.982 -2.811) 7.528 6.670 ( 3.450 -3.344 0.140) 4.807 6.730 ( 8.840 -6.529 3.720) 11.602 6.810 ( 5.905 -3.533 0.712) 6.918 6.998 ( 15.683 0.005 14.367) 21.270 7.021 ( 8.554 -2.684 6.342) 10.981 7.104 ( 10.495 1.470 4.136) 11.376 7.191 ( 10.259 -2.024 6.895) 12.525 7.295 ( 4.793 1.049 4.768) 6.841 7.467 ( 2.394 -8.418 4.510) 9.846 7.528 ( 0.938 -9.154 2.928) 9.656 7.685 ( 4.439 -12.878 2.014) 13.770 7.902 ( 8.940 6.457 -1.117) 11.084 8.014 ( -17.471 -4.408 -6.755) 19.243 8.198 ( -7.905 4.752 -4.137) 10.108 8.240 ( -3.927 1.518 -9.553) 10.440 8.660 ( -10.258 2.281 -11.200) 15.358 8.750 ( 5.364 2.264 -4.221) 7.192 8.832 ( -17.157 -2.374 -6.458) 18.485 8.938 ( 3.974 6.917 -2.487) 8.356 9.168 ( 4.556 16.473 2.155) 17.226 9.472 ( -6.090 2.015 -2.155) 6.767 9.638 ( -4.806 3.351 -6.433) 8.701 10.156 ( -7.875 12.788 -6.712) 16.449 10.387 ( 2.235 0.611 -5.387) 5.865 10.456 ( -3.692 -1.770 -5.256) 6.662 12.163 ( 8.922 -0.196 -0.650) 8.948 12.822 ( 2.439 -2.211 2.123) 3.917 12.870 ( 14.207 -11.741 5.174) 19.143 13.510 ( -3.563 -7.571 -4.350) 9.431 13.845 ( 7.108 -2.027 4.215) 8.508 14.188 ( -3.231 -0.273 -5.037) 5.990 14.320 ( -3.864 -4.849 -6.568) 9.032 14.483 ( -1.164 -1.071 12.205) 12.307 14.649 ( -1.322 -3.945 4.505) 6.132 14.791 ( 4.769 4.679 -6.189) 9.107 14.930 ( 3.943 -3.819 1.965) 5.830 15.139 ( 8.561 -7.929 -1.095) 11.720 15.231 ( 1.531 -17.531 4.992) 18.292 15.293 ( -13.367 -6.371 26.884) 30.693 15.638 ( 2.411 -17.027 2.251) 17.344 15.802 ( -3.874 -5.151 -0.629) 6.476 15.920 ( 7.543 5.327 6.846) 11.495 16.019 ( -8.444 -3.393 -3.893) 9.898 16.038 ( 2.163 -0.369 1.017) 2.418 16.289 ( -0.277 -0.915 -1.436) 1.725 16.505 ( 1.626 4.173 0.553) 4.513 16.794 ( -5.183 2.853 4.042) 7.165 17.386 ( -5.254 -5.301 -5.633) 9.350 17.524 ( 4.908 -2.449 -9.963) 11.372 17.679 ( 12.330 -2.969 -10.523) 16.479 17.941 ( -7.349 6.227 1.228) 9.710 17.960 ( -0.370 15.061 -5.825) 16.152 18.087 ( 0.810 12.218 -3.075) 12.625 18.204 ( 13.134 8.183 -13.202) 20.341 18.604 ( -7.582 18.353 -4.133) 20.283 19.425 ( -1.138 0.267 9.749) 9.819 20.108 ( 3.294 -0.322 1.302) 3.556 20.951 ( -4.105 1.222 3.010) 5.235 21.059 ( 4.848 -0.539 3.630) 6.080 21.321 ( 1.379 0.411 -0.580) 1.552 21.469 ( -0.777 -1.065 1.305) 1.855 21.500 ( -3.429 10.268 -3.942) 11.521 21.669 ( -8.786 4.571 -2.464) 10.206 21.804 ( 5.934 -1.927 6.104) 8.728 22.159 ( -2.952 0.006 -1.884) 3.501 ======================= Grid point 151 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.318 0.000 7.852) 8.961 1.794 ( 24.890 0.000 18.314) 30.902 2.067 ( 0.399 0.000 -11.554) 11.561 2.466 ( 2.346 0.000 -13.611) 13.812 2.623 ( -13.445 -0.000 -4.748) 14.259 2.963 ( -1.097 -0.000 -2.376) 2.618 3.055 ( -7.138 -0.000 -10.718) 12.877 3.325 ( -3.406 -0.000 -13.643) 14.061 3.608 ( -9.662 -0.000 2.507) 9.982 3.628 ( 13.492 0.000 11.361) 17.639 3.881 ( 5.857 0.000 13.088) 14.339 3.950 ( 18.939 0.000 17.657) 25.893 3.969 ( 8.128 0.000 7.455) 11.029 4.426 ( 13.936 0.000 3.411) 14.348 4.704 ( -29.543 -0.000 25.698) 39.156 5.047 ( 13.867 0.000 2.743) 14.136 5.236 ( -2.457 -0.000 5.870) 6.364 5.352 ( -7.224 -0.000 -6.407) 9.656 5.496 ( 3.382 0.000 -12.828) 13.267 5.703 ( 5.375 0.000 1.893) 5.699 5.825 ( 34.616 0.000 25.359) 42.910 5.921 ( 6.320 0.000 5.483) 8.367 6.211 ( 9.028 0.000 -14.492) 17.074 6.480 ( -41.515 -0.000 -15.413) 44.284 6.619 ( 0.069 0.000 -0.145) 0.160 6.672 ( -11.684 -0.000 -5.200) 12.788 6.714 ( -1.348 -0.000 3.952) 4.176 6.729 ( -18.714 -0.000 11.842) 22.146 6.806 ( -0.718 -0.000 -0.512) 0.882 7.041 ( 0.837 0.000 -3.768) 3.860 7.154 ( -2.851 -0.000 3.934) 4.858 7.337 ( -7.176 -0.000 -1.821) 7.403 7.389 ( -20.394 -0.000 -11.716) 23.520 7.439 ( 5.206 0.000 0.127) 5.207 7.447 ( -2.353 -0.000 3.501) 4.218 7.779 ( -16.416 -0.000 1.381) 16.474 7.807 ( -3.566 -0.000 7.077) 7.925 7.902 ( -0.381 -0.000 7.750) 7.759 8.049 ( -10.185 -0.000 -6.256) 11.953 8.124 ( 29.964 0.000 15.867) 33.906 8.266 ( 8.032 0.000 7.780) 11.182 8.485 ( -5.063 -0.000 -4.984) 7.105 8.505 ( -4.259 -0.000 3.380) 5.438 8.595 ( 7.720 0.000 2.299) 8.055 8.656 ( -10.665 -0.000 -10.041) 14.648 9.490 ( 19.123 0.000 2.104) 19.238 9.997 ( 14.128 0.000 -5.239) 15.068 10.186 ( -3.839 -0.000 -7.033) 8.012 10.450 ( -0.128 -0.000 -8.436) 8.437 10.469 ( 2.297 0.000 2.467) 3.371 12.417 ( 11.613 0.000 -1.822) 11.755 12.722 ( -8.333 -0.000 -6.517) 10.579 13.641 ( 3.888 0.000 -6.481) 7.558 13.664 ( 1.270 0.000 -0.006) 1.270 13.865 ( -8.109 -0.000 -6.420) 10.343 14.114 ( -1.172 -0.000 -2.868) 3.098 14.451 ( 20.756 0.000 10.965) 23.474 14.457 ( 0.600 0.000 4.161) 4.204 14.695 ( -9.313 -0.000 16.061) 18.566 14.828 ( -5.125 -0.000 11.680) 12.755 15.042 ( -3.144 -0.000 6.387) 7.119 15.275 ( -4.999 -0.000 2.588) 5.629 15.439 ( -3.462 -0.000 3.919) 5.229 15.440 ( -23.342 -0.000 -7.190) 24.424 15.781 ( 15.413 0.000 -26.784) 30.902 16.061 ( 7.291 0.000 -0.347) 7.299 16.146 ( 0.273 0.000 -2.064) 2.082 16.314 ( -1.446 -0.000 -11.405) 11.496 16.404 ( 7.658 0.000 4.531) 8.899 16.565 ( 7.282 0.000 -1.144) 7.371 16.997 ( 11.931 0.000 -21.859) 24.903 17.108 ( -7.696 -0.000 4.751) 9.044 17.176 ( -0.531 -0.000 -0.242) 0.584 17.241 ( -5.385 -0.000 0.645) 5.423 17.257 ( 0.578 0.000 0.376) 0.690 17.570 ( -0.904 -0.000 -0.018) 0.904 17.905 ( 1.120 0.000 -0.210) 1.139 18.012 ( 8.299 0.000 -25.567) 26.880 18.241 ( -0.701 -0.000 0.879) 1.124 18.487 ( -0.477 -0.000 3.767) 3.797 19.287 ( -1.343 -0.000 6.155) 6.300 19.959 ( -14.666 -0.000 -2.801) 14.931 20.345 ( 4.880 0.000 -0.171) 4.883 20.760 ( -2.456 -0.000 11.761) 12.015 21.131 ( 0.158 0.000 2.678) 2.682 21.326 ( -2.904 -0.000 1.527) 3.281 21.587 ( 4.692 0.000 -0.374) 4.707 21.792 ( 4.359 0.000 5.159) 6.754 21.830 ( -3.901 -0.000 -1.737) 4.270 22.115 ( -0.538 -0.000 4.204) 4.238 ======================= Grid point 152 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 13.618 -3.119 -1.906) 14.100 2.211 ( 19.044 -18.234 11.250) 28.665 2.485 ( 0.466 -7.227 -11.669) 13.733 2.535 ( 1.743 -36.724 -8.839) 37.813 2.692 ( -10.207 -20.900 -2.470) 23.390 3.028 ( -1.925 -5.285 -6.089) 8.289 3.050 ( -1.661 -7.560 -5.305) 9.384 3.307 ( -0.383 -0.738 -9.895) 9.930 3.523 ( -10.133 0.145 0.619) 10.153 3.636 ( -3.432 1.391 -1.351) 3.942 3.849 ( -14.409 -2.547 22.292) 26.665 4.149 ( 19.102 -2.736 9.463) 21.492 4.289 ( 17.096 -7.290 10.813) 21.502 4.459 ( -18.426 0.978 22.306) 28.949 4.655 ( 36.208 -5.491 17.511) 40.594 5.157 ( 13.012 1.986 -2.799) 13.457 5.180 ( -11.494 2.375 7.846) 14.118 5.275 ( -4.724 -2.938 7.340) 9.210 5.580 ( 7.056 7.458 -6.542) 12.174 5.654 ( 10.168 3.090 -11.111) 15.375 5.805 ( 9.038 17.566 5.938) 20.628 6.042 ( 22.515 9.292 12.191) 27.238 6.094 ( -23.745 0.600 -5.255) 24.327 6.193 ( 0.076 9.289 -7.833) 12.151 6.516 ( -19.717 0.593 -10.341) 22.272 6.570 ( -0.099 0.948 4.850) 4.943 6.702 ( -3.571 0.120 2.719) 4.490 6.762 ( -3.752 -2.176 1.522) 4.596 6.883 ( -6.537 -10.950 -1.121) 12.802 7.017 ( -6.595 2.899 -2.157) 7.520 7.126 ( -2.108 2.361 2.453) 4.004 7.207 ( -14.623 -1.763 -10.679) 18.192 7.236 ( -3.622 1.283 -2.161) 4.409 7.384 ( -4.464 1.200 2.673) 5.340 7.471 ( 2.995 3.326 -0.328) 4.488 7.678 ( -6.791 3.315 1.964) 7.808 7.729 ( -12.244 -3.370 1.181) 12.754 7.887 ( -10.567 5.173 -5.735) 13.089 7.962 ( 1.606 -2.586 5.290) 6.103 8.133 ( -0.066 2.099 2.517) 3.278 8.414 ( 5.104 0.687 8.594) 10.019 8.528 ( -1.076 -3.657 9.506) 10.241 8.647 ( 9.406 -12.033 4.449) 15.908 8.697 ( 7.062 -2.640 -2.685) 8.003 8.788 ( -2.014 -20.971 -3.363) 21.334 9.613 ( 16.745 3.706 1.691) 17.233 10.077 ( 3.537 1.861 -8.418) 9.318 10.165 ( -0.203 -2.504 -6.743) 7.196 10.440 ( -1.236 0.187 -8.321) 8.414 10.466 ( 1.478 1.671 1.497) 2.687 12.532 ( 13.391 -0.500 -0.791) 13.423 12.651 ( -9.568 -1.025 -7.640) 12.287 13.368 ( -0.543 20.997 -5.095) 21.613 13.599 ( 0.501 7.300 -0.483) 7.334 13.970 ( 0.766 -5.589 -2.987) 6.383 14.166 ( 0.108 -4.416 -1.520) 4.672 14.522 ( 2.316 -5.057 5.284) 7.671 14.608 ( 11.342 0.901 13.024) 17.294 14.665 ( -2.336 -3.170 17.023) 17.473 14.819 ( -3.877 -2.940 11.859) 12.818 14.981 ( -0.460 5.145 2.152) 5.596 15.177 ( -16.904 4.191 -4.558) 18.002 15.245 ( -12.760 -1.233 -1.929) 12.964 15.388 ( -4.665 2.160 6.473) 8.266 15.781 ( 12.665 17.921 -17.994) 28.379 15.997 ( 2.835 6.383 -14.022) 15.665 16.116 ( 0.595 8.399 -0.684) 8.448 16.141 ( -1.270 12.540 -6.245) 14.066 16.363 ( 4.241 30.418 -0.472) 30.716 16.469 ( 6.795 1.022 6.003) 9.124 16.586 ( 1.920 6.670 0.237) 6.945 16.880 ( 2.612 13.236 -4.122) 14.107 17.102 ( -1.084 1.124 -9.750) 9.874 17.446 ( -1.838 -15.539 -1.196) 15.693 17.558 ( -4.608 -4.547 3.669) 7.441 17.801 ( -3.741 -22.294 -0.778) 22.619 17.848 ( 1.443 0.565 -4.052) 4.338 18.115 ( 0.188 -7.981 -14.927) 16.927 18.401 ( 11.635 -8.169 -7.542) 16.093 18.656 ( 3.157 -14.002 5.618) 15.413 19.280 ( -1.777 -0.047 3.636) 4.047 19.976 ( -13.870 -10.045 -8.337) 19.047 20.409 ( 2.493 -4.270 -1.228) 5.095 20.797 ( 0.664 -4.145 11.805) 12.529 21.141 ( 1.619 -0.333 4.219) 4.531 21.297 ( -3.512 0.390 2.711) 4.454 21.665 ( 1.871 -4.513 -0.921) 4.972 21.766 ( -5.077 -0.304 -1.151) 5.214 21.827 ( 5.414 2.546 3.520) 6.941 22.105 ( -0.230 0.824 4.383) 4.466 ======================= Grid point 153 (75/129) ======================= q-point: ( 0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 16.175 -4.176 -9.028) 18.988 2.466 ( -0.274 -3.588 -17.271) 17.642 2.836 ( 11.224 -23.578 11.672) 28.603 2.946 ( -4.090 -13.761 -0.302) 14.359 3.134 ( -1.197 -18.637 -3.122) 18.935 3.233 ( -2.923 -13.028 -5.304) 14.367 3.355 ( 3.499 -2.923 -0.609) 4.600 3.399 ( -7.907 2.401 -0.138) 8.265 3.571 ( -4.805 -9.527 3.330) 11.178 3.629 ( -0.091 -39.138 0.170) 39.138 3.797 ( -6.690 -8.881 18.808) 21.848 4.206 ( -8.260 -2.644 13.588) 16.120 4.437 ( 3.589 -1.891 0.453) 4.082 4.567 ( 18.183 -7.609 11.261) 22.701 5.012 ( -10.593 3.313 -0.571) 11.114 5.105 ( 15.612 -4.192 4.002) 16.653 5.165 ( 2.278 6.061 2.139) 6.819 5.294 ( 2.344 18.276 4.154) 18.888 5.429 ( 17.666 -2.206 19.499) 26.403 5.480 ( 10.146 17.431 6.030) 21.051 5.768 ( 8.354 -0.198 -14.892) 17.076 5.847 ( -9.965 7.277 -5.595) 13.548 5.991 ( -12.428 2.117 -2.197) 12.797 6.057 ( 15.417 11.424 11.407) 22.323 6.339 ( -17.251 -0.162 -10.509) 20.200 6.554 ( -2.325 0.819 4.602) 5.221 6.634 ( -4.972 3.322 1.079) 6.076 6.751 ( -1.141 1.828 -0.129) 2.159 6.817 ( -5.014 3.929 -8.305) 10.466 6.868 ( -6.299 6.779 3.065) 9.748 7.113 ( -2.083 1.647 0.058) 2.656 7.164 ( -1.067 3.674 5.876) 7.012 7.206 ( -2.641 4.588 -4.232) 6.777 7.295 ( -0.090 3.601 -0.751) 3.680 7.455 ( 1.263 -2.821 -1.918) 3.638 7.624 ( 2.404 -1.465 -4.005) 4.896 7.696 ( -13.202 -4.873 -1.771) 14.184 7.779 ( -5.684 -2.787 -3.158) 7.074 7.957 ( -2.946 0.908 -0.572) 3.135 8.165 ( -7.494 -6.518 -1.254) 10.011 8.444 ( 4.223 0.145 11.098) 11.876 8.630 ( -2.379 -8.025 5.257) 9.884 8.810 ( 4.977 -4.237 0.332) 6.545 8.894 ( -0.489 -10.704 -0.168) 10.716 9.210 ( 9.715 -15.967 3.905) 19.094 9.631 ( 10.185 7.283 -0.161) 12.522 10.021 ( -2.226 2.735 -8.148) 8.878 10.236 ( 2.776 -2.139 -5.759) 6.741 10.413 ( -1.505 0.959 -7.180) 7.398 10.467 ( -0.278 -2.160 -1.864) 2.866 12.590 ( -8.996 -1.557 -8.475) 12.457 12.651 ( 12.813 1.037 0.898) 12.887 12.965 ( 2.424 21.658 -1.194) 21.826 13.436 ( -1.072 8.764 -1.627) 8.978 14.003 ( 2.670 3.757 -1.913) 4.990 14.220 ( 1.064 -0.794 0.066) 1.329 14.558 ( -5.800 4.294 15.746) 17.321 14.663 ( -1.765 -4.669 10.123) 11.287 14.713 ( 1.562 5.253 4.811) 7.293 14.848 ( 1.020 5.221 2.489) 5.874 14.881 ( 3.167 -2.025 9.722) 10.424 14.946 ( -13.637 3.373 -1.600) 14.139 15.204 ( -6.236 -0.003 1.893) 6.517 15.280 ( 0.711 10.895 -2.867) 11.289 15.384 ( 1.179 13.821 3.596) 14.330 15.609 ( 4.294 26.525 -1.281) 26.901 16.015 ( 7.275 2.603 -13.336) 15.413 16.042 ( -6.518 1.700 -5.573) 8.743 16.134 ( 5.209 3.261 -2.337) 6.575 16.476 ( 3.418 3.195 5.753) 7.416 16.604 ( 0.599 -6.300 -4.852) 7.974 16.751 ( -0.306 4.161 7.875) 8.912 17.126 ( 5.066 -1.910 -18.327) 19.110 17.468 ( -4.972 0.903 5.144) 7.211 17.811 ( -0.067 -4.112 -8.320) 9.281 17.876 ( -3.898 -15.749 -6.112) 17.338 17.986 ( -1.483 -4.359 -11.880) 12.741 18.249 ( -5.875 -6.499 -8.234) 12.023 18.703 ( 15.410 -9.207 1.797) 18.041 18.948 ( 8.098 -9.033 10.036) 15.744 19.255 ( -2.188 0.667 -0.205) 2.297 19.994 ( -13.078 -5.984 -9.864) 17.440 20.558 ( -3.610 -11.353 -2.546) 12.182 20.886 ( 2.799 -1.369 6.091) 6.841 21.186 ( 0.663 -1.788 4.210) 4.622 21.276 ( 1.895 -1.756 8.528) 8.911 21.676 ( -7.541 -0.928 -3.810) 8.500 21.789 ( 7.074 3.332 2.588) 8.237 21.860 ( -0.311 -5.597 2.007) 5.954 22.090 ( -0.533 0.102 2.565) 2.622 ======================= Grid point 154 (76/129) ======================= q-point: ( 0.62 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 13.671 -2.506 -12.370) 18.606 2.517 ( -0.856 -3.358 -17.624) 17.962 3.014 ( 8.311 2.931 4.288) 9.801 3.145 ( -14.655 7.655 15.524) 22.680 3.353 ( 1.573 -5.627 10.196) 11.752 3.430 ( 3.324 -17.494 1.178) 17.846 3.525 ( -0.388 -18.395 3.268) 18.687 3.569 ( 1.750 -16.985 -1.864) 17.176 3.635 ( -6.741 -14.933 5.298) 17.219 3.836 ( 3.656 -6.017 2.038) 7.330 4.213 ( -6.419 -5.662 8.560) 12.105 4.461 ( 0.712 -1.204 -2.895) 3.216 4.646 ( 7.121 -25.323 -1.988) 26.380 4.888 ( 14.268 -11.868 7.244) 19.923 4.901 ( 4.178 7.253 1.184) 8.454 4.919 ( -2.737 4.494 -5.366) 7.515 5.009 ( -0.571 15.887 7.213) 17.457 5.103 ( -2.731 6.286 5.686) 8.905 5.256 ( -5.361 -0.820 7.369) 9.150 5.442 ( -1.480 25.096 -1.540) 25.186 5.608 ( -2.589 5.305 6.927) 9.101 5.696 ( 3.873 16.118 -5.053) 17.330 5.953 ( -23.629 -12.758 -1.320) 26.886 6.178 ( 19.885 -4.170 7.464) 21.645 6.234 ( -12.202 -2.951 -8.736) 15.294 6.524 ( 0.651 0.704 5.771) 5.850 6.561 ( 6.107 1.552 4.585) 7.793 6.610 ( -1.832 8.305 -0.510) 8.520 6.742 ( -3.023 2.504 0.548) 3.964 6.816 ( 3.554 0.169 -0.934) 3.679 6.931 ( -3.848 9.404 -2.581) 10.484 6.963 ( -4.816 10.638 -6.138) 13.192 7.140 ( 6.876 0.132 5.361) 8.720 7.363 ( 8.915 -0.722 3.585) 9.635 7.517 ( 8.402 -0.289 2.149) 8.677 7.644 ( -8.623 1.320 -5.301) 10.208 7.742 ( 0.773 -7.056 -7.450) 10.290 7.890 ( 3.835 -8.975 0.410) 9.769 7.929 ( -5.470 -2.931 -2.615) 6.734 8.218 ( -11.059 -8.421 -0.684) 13.918 8.481 ( 5.279 1.110 10.206) 11.544 8.716 ( -8.043 -5.175 -12.138) 15.453 8.927 ( -7.592 -6.584 -1.515) 10.163 9.065 ( 6.130 -7.231 9.658) 13.533 9.480 ( 10.482 -0.772 3.114) 10.962 9.532 ( 0.858 5.286 -2.205) 5.791 9.935 ( -0.358 5.210 -4.369) 6.809 10.276 ( 0.406 -1.376 -7.059) 7.203 10.384 ( -0.089 0.882 -6.610) 6.669 10.536 ( -2.752 -5.373 -4.039) 7.264 12.534 ( 3.433 16.888 0.738) 17.250 12.551 ( -3.716 0.811 -5.580) 6.753 12.802 ( 9.160 1.374 1.683) 9.414 13.295 ( -2.729 3.717 -2.907) 5.451 13.880 ( 5.237 11.076 0.499) 12.262 14.235 ( 1.294 0.020 -2.387) 2.715 14.395 ( -9.998 5.099 7.753) 13.641 14.489 ( -13.658 5.208 -0.937) 14.647 14.607 ( -3.527 9.327 -1.529) 10.088 14.769 ( 1.523 1.590 11.880) 12.082 14.898 ( 0.980 -2.789 11.944) 12.304 14.973 ( 0.167 10.986 6.896) 12.972 14.991 ( 9.093 0.313 13.162) 16.000 15.248 ( -1.073 -3.522 -1.474) 3.966 15.263 ( 2.708 11.719 0.661) 12.045 15.439 ( 0.148 -6.859 -5.317) 8.680 15.955 ( -9.652 -0.360 -6.492) 11.637 16.028 ( 3.565 1.241 5.551) 6.712 16.180 ( 10.235 0.278 -15.849) 18.869 16.417 ( 2.019 5.482 4.445) 7.340 16.664 ( -3.743 3.477 14.971) 15.819 16.814 ( 2.606 -13.117 -7.154) 15.166 17.216 ( 3.487 -3.023 -14.519) 15.235 17.427 ( -0.174 0.183 -4.553) 4.560 17.723 ( -5.272 5.563 -14.547) 16.443 17.984 ( -5.777 -1.165 -6.325) 8.645 18.219 ( -3.754 -10.048 -6.494) 12.539 18.315 ( 2.376 -11.596 -8.860) 14.785 18.847 ( 6.340 6.185 2.836) 9.300 19.054 ( 6.695 6.184 9.115) 12.889 19.266 ( -0.645 -4.375 2.113) 4.901 20.049 ( -6.354 -9.867 -5.788) 13.085 20.723 ( -4.363 -9.353 -2.191) 10.550 20.899 ( 1.530 -0.109 3.361) 3.694 21.162 ( -1.680 1.858 2.277) 3.386 21.451 ( 8.952 -7.535 11.177) 16.182 21.621 ( -7.844 -0.544 -2.927) 8.390 21.777 ( 7.415 3.830 1.747) 8.526 21.916 ( -2.599 -0.161 3.991) 4.765 22.121 ( -1.470 -4.158 -2.353) 4.999 ======================= Grid point 155 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 5.478 1.560 -11.458) 12.795 2.525 ( -2.409 2.361 -7.090) 7.851 2.920 ( -7.309 3.549 17.097) 18.929 2.987 ( 14.706 10.032 11.033) 20.944 3.438 ( 0.328 -4.802 1.191) 4.958 3.630 ( -5.262 -8.109 -0.131) 9.667 3.773 ( 4.040 -7.268 -1.961) 8.543 3.877 ( -3.306 -5.755 -2.576) 7.119 3.915 ( 7.314 -2.311 1.803) 7.880 4.079 ( 2.000 -18.796 3.957) 19.312 4.238 ( 3.013 -6.360 1.866) 7.280 4.490 ( 2.212 1.403 -2.696) 3.759 4.646 ( -1.520 6.854 -0.297) 7.027 4.681 ( -2.518 10.982 0.562) 11.281 4.771 ( -2.205 6.996 0.789) 7.378 4.796 ( -5.940 25.848 -0.231) 26.523 4.940 ( -3.535 8.071 6.659) 11.045 5.017 ( 0.715 4.715 9.096) 10.270 5.145 ( -2.048 -1.955 8.950) 9.387 5.171 ( 1.806 34.130 3.031) 34.312 5.303 ( 2.883 0.378 4.872) 5.674 5.962 ( -16.244 -27.187 3.332) 31.846 6.007 ( -12.574 -15.693 5.520) 20.852 6.221 ( -0.481 0.063 -4.764) 4.789 6.264 ( -4.803 -4.557 -15.226) 16.603 6.383 ( -7.373 -0.425 -1.462) 7.529 6.544 ( -0.882 1.944 -0.603) 2.218 6.632 ( 1.135 -1.461 -2.952) 3.484 6.696 ( 1.800 -0.251 1.483) 2.346 6.793 ( -0.961 -1.285 -0.951) 1.865 6.919 ( 19.239 -4.818 11.763) 23.059 6.986 ( 8.305 -2.412 2.484) 8.997 7.258 ( 12.718 -1.956 7.690) 14.991 7.405 ( 0.169 0.535 2.591) 2.651 7.513 ( -1.973 4.326 -8.314) 9.578 7.644 ( 13.852 -0.502 7.584) 15.801 7.820 ( -4.772 -3.471 -4.260) 7.277 7.988 ( 4.890 -3.073 -5.848) 8.219 8.123 ( 7.869 -8.367 -1.039) 11.533 8.281 ( -8.165 -6.325 2.393) 10.602 8.505 ( 1.716 -0.806 5.404) 5.727 8.689 ( -12.115 -2.496 -16.669) 20.757 8.869 ( -16.857 -0.361 -6.483) 18.065 9.281 ( 8.371 -3.877 9.625) 13.332 9.333 ( -3.324 6.487 -2.970) 7.871 9.567 ( 5.020 3.564 3.095) 6.891 9.824 ( 1.430 6.606 -3.650) 7.681 10.296 ( -1.907 -1.707 -8.122) 8.516 10.377 ( 2.086 0.769 -5.431) 5.868 10.558 ( -6.180 -0.167 -6.107) 8.690 12.289 ( 7.419 11.482 2.384) 13.877 12.550 ( -3.163 -3.501 -2.794) 5.483 12.860 ( 6.921 0.685 1.320) 7.079 13.263 ( -3.451 -3.109 -3.272) 5.682 13.785 ( 8.813 4.400 3.754) 10.541 14.157 ( -15.682 2.469 -8.207) 17.871 14.252 ( -2.241 -0.220 -3.990) 4.582 14.437 ( -2.380 -2.755 13.025) 13.524 14.485 ( -0.492 -1.160 -1.700) 2.116 14.719 ( -1.394 6.179 6.105) 8.798 14.856 ( 0.452 -1.955 12.820) 12.976 14.985 ( -3.299 -4.880 15.866) 16.924 15.068 ( 11.359 3.331 6.656) 13.581 15.119 ( 5.089 5.922 1.158) 7.893 15.320 ( -0.359 -4.599 0.279) 4.622 15.592 ( 0.271 -8.196 -9.214) 12.335 15.887 ( -11.838 -2.620 -6.426) 13.722 16.015 ( 0.731 2.319 9.184) 9.500 16.266 ( 6.414 -0.383 -6.933) 9.453 16.326 ( 7.557 7.422 -2.595) 10.905 16.570 ( -5.427 2.140 15.533) 16.593 17.053 ( 3.324 -5.807 -5.826) 8.872 17.251 ( -6.447 -3.036 -1.056) 7.204 17.438 ( 1.919 2.387 -19.240) 19.482 17.597 ( 5.128 1.375 -14.886) 15.804 17.928 ( -9.613 -0.757 1.913) 9.831 18.249 ( 4.734 1.388 -16.473) 17.196 18.586 ( 3.264 0.620 -4.312) 5.443 18.682 ( -2.787 2.524 -0.930) 3.873 18.862 ( 0.921 15.609 2.326) 15.808 19.366 ( 0.425 -4.448 7.467) 8.702 20.155 ( -0.744 -2.326 1.416) 2.823 20.838 ( 1.703 -5.499 0.216) 5.761 20.984 ( -2.428 -9.269 0.470) 9.593 21.120 ( 1.472 2.574 5.218) 6.002 21.530 ( -9.399 0.069 -3.673) 10.092 21.661 ( 6.995 -3.599 9.784) 12.555 21.784 ( 6.851 2.007 0.308) 7.146 21.846 ( -2.535 4.721 3.632) 6.474 22.167 ( -3.120 -2.171 -5.031) 6.306 ======================= Grid point 156 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -7.379 7.657 -1.024) 10.683 2.414 ( 2.394 6.834 1.683) 7.435 2.816 ( 8.464 13.060 30.213) 33.986 3.005 ( 6.275 -2.923 -11.174) 13.145 3.496 ( 0.193 1.570 -10.086) 10.209 3.640 ( -3.365 17.919 -4.623) 18.809 3.697 ( -5.509 -0.637 1.664) 5.790 3.768 ( -1.340 9.469 -0.066) 9.563 3.965 ( 7.506 5.214 -1.110) 9.206 4.012 ( -7.092 28.221 -5.080) 29.539 4.178 ( 10.279 25.499 8.793) 28.865 4.340 ( 0.590 9.724 3.229) 10.263 4.469 ( -1.720 17.001 9.040) 19.331 4.558 ( 16.279 5.260 5.236) 17.891 4.643 ( -4.577 10.553 -5.892) 12.924 4.724 ( -0.593 -11.023 1.259) 11.111 4.843 ( -0.320 -15.984 1.774) 16.085 4.886 ( -3.187 -4.565 9.921) 11.376 4.959 ( -3.027 -10.240 3.977) 11.395 5.115 ( -7.260 -3.559 6.649) 10.468 5.394 ( 4.362 -2.416 1.943) 5.352 5.863 ( -12.182 1.260 -2.893) 12.584 5.904 ( -16.012 2.717 3.660) 16.648 6.351 ( -7.154 0.151 3.365) 7.907 6.431 ( 0.858 -10.361 -6.561) 12.294 6.582 ( -2.749 -8.542 -2.372) 9.281 6.614 ( 0.514 -9.950 -2.977) 10.398 6.759 ( 3.090 -8.838 -1.160) 9.435 6.842 ( 3.121 -13.913 -0.594) 14.271 6.949 ( -3.544 -17.235 2.349) 17.752 7.046 ( -1.336 -5.889 1.273) 6.171 7.193 ( 19.254 -2.724 12.637) 23.191 7.344 ( -1.394 0.967 -0.583) 1.794 7.385 ( 10.684 0.475 5.577) 12.061 7.563 ( 13.815 -1.470 3.469) 14.319 7.706 ( -6.825 -2.905 -1.469) 7.561 7.847 ( 10.099 2.524 4.195) 11.223 8.058 ( 5.860 1.955 -7.382) 9.626 8.154 ( -17.285 2.795 -10.443) 20.388 8.303 ( 2.656 3.121 3.554) 5.424 8.564 ( -5.451 -3.354 -1.186) 6.509 8.614 ( -10.056 -2.773 -9.908) 14.387 8.780 ( 0.811 -2.934 -1.427) 3.362 9.080 ( -9.557 9.337 -5.581) 14.480 9.359 ( -12.034 5.937 -0.788) 13.442 9.516 ( 6.327 3.676 5.135) 8.939 9.743 ( 8.489 5.336 -4.124) 10.842 10.288 ( -0.432 2.933 -4.921) 5.745 10.366 ( -1.402 1.156 -5.076) 5.392 10.453 ( -2.812 2.908 -6.720) 7.843 12.248 ( 8.082 1.767 -1.746) 8.455 12.662 ( 1.885 -10.413 1.295) 10.661 12.894 ( 3.291 0.203 0.301) 3.311 13.330 ( -3.626 -6.913 -2.687) 8.256 13.870 ( 11.671 -2.707 5.207) 13.063 14.059 ( -11.218 -5.241 -8.320) 14.917 14.236 ( -1.541 -0.991 -2.528) 3.122 14.454 ( -0.735 -0.719 11.564) 11.610 14.614 ( -1.522 -1.664 3.243) 3.950 14.708 ( 4.958 -13.906 -1.446) 14.834 14.972 ( 1.680 3.654 3.242) 5.165 14.996 ( 1.390 -10.200 11.522) 15.451 15.089 ( -1.758 -1.823 11.912) 12.178 15.144 ( 6.453 -0.264 7.958) 10.249 15.412 ( -0.992 -6.120 0.939) 6.271 15.718 ( -0.485 -5.348 -10.376) 11.684 15.838 ( -12.838 -3.740 -6.903) 15.048 15.977 ( 0.655 2.126 8.101) 8.400 16.202 ( -0.378 5.354 7.998) 9.632 16.339 ( 10.102 4.098 -4.055) 11.632 16.539 ( -0.938 -1.676 7.049) 7.306 16.936 ( -4.153 13.546 -7.630) 16.092 17.233 ( -9.488 -3.178 -1.098) 10.066 17.493 ( 4.478 -5.210 -11.508) 13.403 17.721 ( 10.923 -3.189 -17.760) 21.092 17.888 ( -2.499 -1.978 3.606) 4.812 18.242 ( 6.158 7.726 -14.556) 17.592 18.327 ( 0.941 13.867 -3.834) 14.418 18.520 ( 2.283 16.985 -3.327) 17.457 18.752 ( -3.303 2.527 -1.565) 4.443 19.416 ( -1.321 -0.926 9.170) 9.311 20.144 ( 1.814 1.808 2.263) 3.418 20.923 ( -2.174 -2.380 1.151) 3.423 21.102 ( 3.874 1.611 7.386) 8.494 21.180 ( 0.217 -10.289 0.387) 10.299 21.428 ( -9.414 0.997 -2.064) 9.689 21.650 ( -12.394 4.352 -0.244) 13.138 21.750 ( 9.747 6.815 4.028) 12.556 21.835 ( 6.706 0.051 3.108) 7.392 22.143 ( -3.592 0.707 -4.665) 5.930 ======================= Grid point 160 (79/129) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 21.174 0.000 -8.944) 22.986 2.096 ( 4.933 0.000 -7.285) 8.798 2.235 ( 17.738 0.000 10.706) 20.718 2.374 ( -9.818 -0.000 -0.245) 9.821 2.462 ( -0.650 -0.000 -19.006) 19.017 2.929 ( -1.834 -0.000 -4.535) 4.892 3.016 ( 3.247 0.000 -3.168) 4.537 3.319 ( 4.956 0.000 -7.207) 8.747 3.407 ( -13.100 -0.000 -0.013) 13.100 3.614 ( -11.403 -0.000 5.268) 12.561 3.738 ( -4.271 -0.000 22.802) 23.199 4.206 ( -18.592 -0.000 19.394) 26.866 4.357 ( 25.963 0.000 16.358) 30.687 4.432 ( 10.698 0.000 2.417) 10.968 4.940 ( 37.875 0.000 20.037) 42.849 5.058 ( -20.236 -0.000 8.378) 21.902 5.244 ( 6.219 0.000 15.568) 16.764 5.270 ( 5.104 0.000 -8.634) 10.030 5.671 ( 11.733 0.000 -19.791) 23.008 5.737 ( -35.326 -0.000 -6.729) 35.961 5.824 ( 6.873 0.000 0.241) 6.877 6.080 ( 10.004 0.000 7.966) 12.788 6.320 ( 7.327 0.000 -7.473) 10.466 6.325 ( -21.990 -0.000 -13.392) 25.747 6.367 ( 5.023 0.000 6.282) 8.043 6.620 ( 12.723 0.000 9.703) 16.001 6.623 ( -0.873 -0.000 -1.191) 1.477 6.698 ( -0.476 -0.000 3.260) 3.294 6.797 ( -0.292 -0.000 0.012) 0.292 6.984 ( -12.880 -0.000 -10.762) 16.784 7.083 ( 1.875 0.000 -0.318) 1.902 7.116 ( -4.023 -0.000 6.531) 7.671 7.239 ( -3.906 -0.000 -1.780) 4.293 7.364 ( -3.956 -0.000 2.239) 4.545 7.462 ( -16.892 -0.000 0.796) 16.911 7.591 ( 7.632 0.000 -0.622) 7.658 7.754 ( -2.591 -0.000 6.570) 7.063 7.846 ( -10.780 -0.000 -5.016) 11.890 7.901 ( -2.648 -0.000 1.208) 2.911 8.196 ( -8.476 -0.000 -4.675) 9.680 8.367 ( -18.340 -0.000 -13.065) 22.518 8.411 ( -1.437 -0.000 18.270) 18.327 8.610 ( 18.755 0.000 11.899) 22.211 8.659 ( 16.104 0.000 12.268) 20.244 8.747 ( 4.705 0.000 -6.358) 7.910 9.771 ( 10.252 0.000 0.272) 10.256 10.086 ( -3.438 -0.000 -8.744) 9.396 10.167 ( 6.191 0.000 -8.432) 10.461 10.425 ( -1.487 -0.000 -7.625) 7.768 10.479 ( -2.522 -0.000 0.047) 2.523 12.554 ( -9.633 -0.000 -8.841) 13.075 12.647 ( 13.902 0.000 0.360) 13.907 13.668 ( -0.982 -0.000 -1.713) 1.975 13.682 ( 1.579 0.000 -5.567) 5.787 13.834 ( 5.453 0.000 2.010) 5.812 14.130 ( 2.562 0.000 -3.084) 4.009 14.465 ( -1.678 -0.000 5.467) 5.718 14.523 ( -9.019 -0.000 20.618) 22.504 14.756 ( -4.270 -0.000 12.230) 12.955 14.839 ( 21.868 0.000 11.103) 24.525 15.004 ( -2.482 -0.000 0.385) 2.512 15.010 ( -24.743 -0.000 -7.977) 25.997 15.199 ( -2.760 -0.000 3.005) 4.080 15.373 ( -4.457 -0.000 7.506) 8.730 16.001 ( 12.462 0.000 -24.018) 27.058 16.066 ( -7.925 -0.000 -8.202) 11.405 16.119 ( -0.780 -0.000 -8.066) 8.104 16.309 ( 2.739 0.000 -7.109) 7.618 16.544 ( 6.796 0.000 5.868) 8.979 16.660 ( 3.661 0.000 2.590) 4.484 16.957 ( -8.513 -0.000 2.746) 8.945 17.137 ( 1.549 0.000 -11.562) 11.665 17.172 ( 0.243 0.000 0.281) 0.371 17.261 ( -0.341 -0.000 -0.253) 0.425 17.278 ( 11.293 0.000 -17.136) 20.522 17.559 ( -0.273 -0.000 0.266) 0.381 17.920 ( 0.563 0.000 -0.423) 0.704 18.016 ( -17.569 -0.000 17.851) 25.046 18.047 ( -4.657 -0.000 -17.374) 17.988 18.650 ( 16.370 0.000 -7.352) 17.945 19.269 ( -1.795 -0.000 2.094) 2.759 19.800 ( -5.330 -0.000 -6.856) 8.684 20.412 ( 2.464 0.000 -2.708) 3.661 20.769 ( 2.578 0.000 13.997) 14.233 21.163 ( 3.419 0.000 4.062) 5.310 21.274 ( -2.636 -0.000 3.853) 4.669 21.618 ( -2.224 -0.000 -2.660) 3.467 21.717 ( -4.590 -0.000 -1.832) 4.942 21.895 ( 3.469 0.000 4.621) 5.779 22.119 ( 1.015 0.000 4.687) 4.795 ======================= Grid point 161 (80/129) ======================= q-point: ( 0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 22.788 -0.832 -13.992) 26.754 2.316 ( -13.406 -9.927 -6.816) 18.020 2.507 ( -0.192 -20.748 -11.517) 23.731 2.582 ( 8.539 -21.256 1.542) 22.958 2.658 ( 11.293 -24.624 2.387) 27.195 2.993 ( -1.180 -7.932 -5.330) 9.629 3.100 ( 2.614 -7.682 -1.780) 8.307 3.315 ( -10.224 -2.180 -1.571) 10.571 3.438 ( 5.446 -2.546 5.438) 8.106 3.460 ( -10.139 -0.588 16.589) 19.451 3.751 ( 6.583 1.521 13.406) 15.013 4.067 ( -13.613 -1.870 13.839) 19.502 4.498 ( 8.456 1.674 0.418) 8.630 4.646 ( 24.230 -4.246 14.175) 28.391 4.888 ( -18.560 -0.597 8.897) 20.591 5.110 ( -8.223 -1.635 -4.131) 9.347 5.202 ( -9.728 1.321 4.219) 10.685 5.510 ( 12.338 -5.561 3.543) 13.989 5.579 ( 7.789 -4.194 20.944) 22.736 5.685 ( 2.654 13.601 -0.248) 13.860 5.811 ( 8.060 0.622 -15.740) 17.694 5.947 ( 0.253 15.873 2.974) 16.151 6.156 ( -7.760 3.783 -11.168) 14.116 6.246 ( -1.597 7.749 -5.511) 9.642 6.301 ( -3.244 5.722 -3.552) 7.475 6.576 ( -0.911 4.728 5.677) 7.444 6.689 ( 1.404 2.137 0.076) 2.558 6.744 ( 2.734 -2.173 -6.733) 7.585 6.819 ( -0.821 -1.433 -2.260) 2.799 6.938 ( -1.204 6.367 1.250) 6.599 7.072 ( 11.983 -4.143 9.858) 16.060 7.170 ( 1.193 -0.788 3.387) 3.676 7.251 ( 0.760 -2.049 0.320) 2.209 7.313 ( -2.948 -2.703 2.795) 4.879 7.428 ( -8.338 -4.194 -1.655) 9.479 7.553 ( -1.708 5.947 -1.095) 6.284 7.656 ( -2.243 3.103 -0.669) 3.887 7.746 ( -1.784 3.355 -0.607) 3.848 7.945 ( -4.912 -3.660 -3.102) 6.866 8.055 ( -6.027 1.562 -2.578) 6.738 8.320 ( -16.514 -8.157 -10.367) 21.136 8.467 ( 2.517 -5.101 23.235) 23.921 8.766 ( -2.415 -1.958 -9.350) 9.854 8.826 ( 13.322 -3.482 11.735) 18.092 8.974 ( 13.018 -17.693 7.550) 23.227 9.766 ( -3.556 3.511 -4.684) 6.849 10.080 ( 6.711 1.909 -4.655) 8.388 10.221 ( 2.789 -1.762 -8.816) 9.413 10.410 ( -1.882 0.540 -6.050) 6.359 10.428 ( -5.538 0.541 -2.875) 6.263 12.482 ( -8.525 -1.173 -8.128) 11.837 12.764 ( 11.981 -0.189 0.316) 11.987 13.408 ( 5.067 20.332 -1.406) 21.001 13.594 ( -1.179 8.394 -1.920) 8.692 14.015 ( 5.119 -4.693 1.563) 7.118 14.192 ( 2.171 -3.012 -2.266) 4.349 14.459 ( -10.648 -4.765 17.606) 21.120 14.574 ( 2.353 -6.008 8.956) 11.038 14.709 ( -14.638 2.237 1.037) 14.844 14.803 ( -11.768 -2.056 1.683) 12.064 14.945 ( 0.858 3.381 1.534) 3.810 15.039 ( 17.646 1.105 8.755) 19.729 15.151 ( -1.807 2.291 1.854) 3.457 15.310 ( -4.650 2.536 5.579) 7.693 15.872 ( -0.824 17.054 -4.693) 17.708 16.001 ( -8.673 3.002 -8.941) 12.813 16.088 ( 7.867 4.963 -14.708) 17.403 16.180 ( 2.534 18.869 -7.115) 20.324 16.425 ( 2.884 25.266 -1.850) 25.497 16.565 ( 3.592 3.893 2.515) 5.864 16.618 ( 1.540 5.509 2.768) 6.355 16.875 ( -2.648 14.344 4.387) 15.232 17.141 ( 4.970 0.797 -17.431) 18.143 17.411 ( -1.857 -9.050 -0.453) 9.249 17.492 ( -2.735 -9.251 1.752) 9.805 17.748 ( -2.314 -21.824 -1.087) 21.973 17.854 ( -0.587 2.765 -5.696) 6.359 18.039 ( -6.535 -4.711 -13.270) 15.524 18.448 ( -3.815 -31.696 1.810) 31.976 18.832 ( 13.873 -4.724 3.784) 15.136 19.266 ( 0.929 -0.868 -3.827) 4.033 19.784 ( -8.361 -3.057 -8.155) 12.073 20.440 ( 1.168 -2.107 -2.843) 3.726 20.858 ( 4.864 -4.555 10.660) 12.571 21.196 ( 3.627 0.326 3.982) 5.397 21.266 ( 0.533 -0.915 7.592) 7.666 21.589 ( -7.727 -0.857 -4.882) 9.180 21.731 ( -0.898 -4.807 -0.702) 4.941 21.895 ( 1.158 2.004 4.773) 5.304 22.119 ( 2.028 1.689 3.967) 4.764 ======================= Grid point 162 (81/129) ======================= q-point: (-0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 18.483 0.156 -15.297) 23.993 2.368 ( -10.162 -7.876 -13.922) 18.950 2.852 ( -4.321 -18.474 0.860) 18.992 3.037 ( 1.781 -11.838 11.623) 16.685 3.124 ( -2.196 -11.446 1.900) 11.809 3.216 ( 1.646 -15.396 -2.506) 15.685 3.233 ( -3.798 -10.241 8.485) 13.831 3.388 ( -7.558 -9.642 3.423) 12.720 3.432 ( 4.364 -14.076 -1.894) 14.858 3.784 ( 13.603 -2.785 8.465) 16.262 3.916 ( 10.540 -23.408 2.606) 25.804 4.129 ( 6.901 -15.177 11.543) 20.278 4.482 ( -1.368 2.398 -1.125) 2.981 4.771 ( -15.980 -2.904 -0.820) 16.262 4.919 ( 7.915 -3.886 5.220) 10.247 5.022 ( -4.906 -2.386 4.223) 6.899 5.120 ( -5.674 2.032 15.824) 16.933 5.315 ( -0.954 21.180 3.704) 21.523 5.442 ( -26.984 -5.775 4.102) 27.898 5.547 ( -3.219 20.162 1.950) 20.510 5.792 ( 6.405 10.142 0.605) 12.010 5.880 ( 1.644 9.744 -4.065) 10.685 5.948 ( 4.809 14.344 -5.028) 15.942 6.106 ( -5.004 1.761 -10.360) 11.639 6.215 ( -0.629 -1.805 -7.240) 7.489 6.568 ( 14.974 -2.777 13.336) 20.243 6.651 ( 3.013 3.835 -0.517) 4.904 6.755 ( 0.684 5.907 -0.419) 5.961 6.803 ( -0.608 4.672 5.346) 7.126 6.855 ( 10.896 -1.675 -5.908) 12.507 7.104 ( -3.175 9.147 3.733) 10.377 7.185 ( 5.771 2.441 4.747) 7.861 7.269 ( 6.218 7.109 2.155) 9.687 7.338 ( 1.281 0.577 -0.738) 1.587 7.468 ( -10.549 -4.260 -3.806) 11.997 7.512 ( 4.838 -7.928 -1.008) 9.342 7.672 ( 3.474 -3.416 -2.007) 5.269 7.775 ( 4.361 -6.919 2.986) 8.706 7.896 ( -2.516 1.766 -5.222) 6.059 8.057 ( -3.981 -4.147 0.697) 5.791 8.351 ( -15.128 -9.957 -9.206) 20.317 8.603 ( 2.932 -2.637 8.397) 9.277 8.776 ( -5.449 -4.037 -3.438) 7.603 9.019 ( 11.636 -5.738 13.692) 18.862 9.385 ( 7.308 -14.330 4.398) 16.677 9.610 ( -10.661 5.504 -7.063) 13.922 10.084 ( 8.095 5.658 -2.769) 10.257 10.261 ( 0.442 -0.202 -7.404) 7.420 10.360 ( -6.065 -2.992 -5.192) 8.526 10.418 ( -1.887 -1.704 -5.429) 5.994 12.445 ( -6.293 -2.099 -6.456) 9.257 12.849 ( 8.465 1.125 0.121) 8.540 13.058 ( 6.490 22.298 0.516) 23.229 13.394 ( -3.275 9.352 -3.091) 10.380 14.080 ( 6.679 2.942 2.138) 7.605 14.237 ( 0.294 -0.847 -1.180) 1.482 14.419 ( -8.910 3.552 12.937) 16.105 14.432 ( -19.913 5.473 -5.008) 21.250 14.667 ( -1.890 -1.709 11.965) 12.233 14.835 ( -0.607 2.958 2.694) 4.047 14.864 ( 0.614 1.386 7.355) 7.510 15.109 ( -1.188 1.070 3.789) 4.112 15.161 ( 14.131 2.217 7.352) 16.082 15.267 ( -0.026 -2.794 -1.238) 3.056 15.426 ( 3.150 25.208 2.544) 25.531 15.689 ( 4.390 22.388 -1.862) 22.891 15.868 ( -11.635 1.599 -10.196) 15.552 16.088 ( 0.803 4.042 8.210) 9.187 16.255 ( 7.578 0.916 -16.221) 17.927 16.536 ( 3.323 4.248 0.054) 5.394 16.600 ( -0.952 -5.157 -2.485) 5.803 16.729 ( -2.480 3.319 9.509) 10.373 17.189 ( 2.069 -1.669 -12.982) 13.251 17.421 ( 0.860 -0.742 -6.009) 6.116 17.760 ( -4.967 3.466 -13.729) 15.005 17.843 ( 0.365 -20.874 -3.821) 21.224 17.923 ( -4.536 -1.534 -6.483) 8.060 18.144 ( -4.726 -11.548 -4.549) 13.281 18.918 ( 7.090 -15.190 2.266) 16.916 18.963 ( -5.922 -3.711 14.035) 15.679 19.342 ( 11.826 1.462 -3.724) 12.485 19.771 ( -10.343 -8.283 -11.816) 17.754 20.530 ( 0.280 -7.022 -2.098) 7.334 20.947 ( 3.059 0.322 4.274) 5.266 21.199 ( 2.217 1.725 3.453) 4.452 21.385 ( 7.147 -7.096 10.874) 14.821 21.533 ( -6.988 -1.236 -3.700) 8.003 21.823 ( -3.855 -2.730 2.587) 5.386 21.874 ( 1.452 -1.846 0.944) 2.531 22.099 ( 2.066 2.191 2.200) 3.730 ======================= Grid point 163 (82/129) ======================= q-point: (-0.25 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 7.492 3.523 -11.591) 14.244 2.433 ( -6.376 -6.841 -12.999) 16.014 2.881 ( -15.018 1.828 20.967) 25.855 3.086 ( -1.373 -9.172 -1.087) 9.338 3.399 ( -2.066 -11.511 -1.142) 11.751 3.517 ( 13.386 2.898 13.221) 19.036 3.584 ( 3.529 -17.250 -6.389) 18.730 3.640 ( 5.453 -19.789 3.606) 20.841 3.657 ( 8.259 -13.214 2.605) 15.799 3.963 ( 9.583 -6.729 -7.053) 13.670 4.189 ( 5.026 -5.852 8.325) 11.349 4.436 ( -4.490 -2.213 1.616) 5.260 4.687 ( -8.699 -4.523 -9.729) 13.813 4.812 ( -4.489 -3.469 2.490) 6.196 4.911 ( -5.976 -10.735 11.412) 16.768 4.934 ( -2.762 -1.117 0.184) 2.985 5.017 ( -0.840 7.868 8.195) 11.392 5.181 ( 1.431 10.897 8.990) 14.199 5.220 ( 6.962 4.970 8.621) 12.145 5.332 ( -9.688 14.288 -1.039) 17.294 5.405 ( -25.735 -6.616 5.719) 27.181 5.576 ( -2.645 9.459 10.731) 14.547 5.803 ( 8.239 13.630 -2.225) 16.082 6.092 ( -2.093 -4.205 -10.787) 11.766 6.239 ( -3.610 -3.128 -7.227) 8.663 6.542 ( -1.361 12.500 2.157) 12.757 6.627 ( 1.362 2.356 -1.453) 3.085 6.635 ( -3.235 6.504 -1.087) 7.345 6.834 ( 6.677 9.669 -3.603) 12.291 6.873 ( 0.607 10.434 1.541) 10.564 7.007 ( 11.217 2.987 -4.075) 12.303 7.083 ( 19.062 -2.213 14.924) 24.310 7.315 ( 6.791 -2.626 5.877) 9.357 7.362 ( -2.272 -2.411 1.907) 3.823 7.473 ( -5.788 -4.108 -5.614) 9.050 7.624 ( 2.451 -1.397 -0.904) 2.963 7.833 ( 1.710 -5.178 -4.309) 6.950 7.923 ( 3.320 -8.443 -5.908) 10.827 7.984 ( 4.153 -7.144 -0.769) 8.299 8.148 ( 4.800 -6.466 3.231) 8.677 8.422 ( -5.674 -8.214 -2.704) 10.343 8.569 ( -11.239 0.635 -11.521) 16.107 8.793 ( 1.355 1.954 7.623) 7.985 9.247 ( 9.759 -6.547 12.595) 17.226 9.390 ( -12.689 6.514 -6.480) 15.666 9.582 ( -0.975 -3.543 1.314) 3.902 10.003 ( 5.271 7.748 -3.557) 10.024 10.252 ( -2.065 -0.912 -8.634) 8.925 10.396 ( 1.642 -0.975 -4.470) 4.861 10.457 ( -4.115 -4.913 -3.963) 7.535 12.445 ( -3.007 -2.168 -3.956) 5.422 12.666 ( 3.388 19.968 0.198) 20.254 12.905 ( 1.527 0.208 -1.519) 2.163 13.245 ( -0.830 3.852 -2.289) 4.557 14.006 ( 5.648 9.093 1.619) 10.826 14.130 ( -12.063 8.413 -4.184) 15.291 14.247 ( -0.231 1.898 -2.292) 2.985 14.355 ( -2.649 -3.919 12.510) 13.375 14.577 ( -0.812 9.062 -1.393) 9.204 14.760 ( -4.077 -1.854 16.633) 17.226 14.867 ( -1.222 3.464 10.191) 10.833 14.944 ( -3.057 8.417 8.014) 12.017 15.212 ( 4.133 -0.311 3.012) 5.124 15.270 ( 9.801 2.623 4.127) 10.953 15.371 ( 7.881 4.799 -1.452) 9.340 15.477 ( 5.200 -0.815 -7.136) 8.867 15.742 ( -13.320 -0.344 -9.996) 16.657 16.058 ( -0.395 1.303 10.781) 10.867 16.295 ( 0.787 0.418 -1.504) 1.748 16.489 ( 4.712 2.920 -7.497) 9.324 16.598 ( -1.276 4.813 10.798) 11.890 16.834 ( -1.617 -14.156 -4.149) 14.839 17.201 ( -1.392 -0.608 -6.383) 6.561 17.469 ( 1.962 -0.015 -17.112) 17.224 17.650 ( 0.373 2.152 -17.393) 17.529 17.861 ( -6.950 0.861 1.786) 7.227 18.185 ( 0.240 -11.954 -7.764) 14.256 18.350 ( 2.230 -14.594 -7.658) 16.631 18.839 ( -7.573 7.610 5.816) 12.210 19.156 ( 5.454 6.046 7.973) 11.396 19.278 ( -0.737 0.126 -0.676) 1.008 19.986 ( 0.599 -14.859 -5.215) 15.759 20.682 ( -0.083 -8.257 -0.330) 8.264 20.944 ( 3.566 0.716 2.288) 4.297 21.188 ( 3.615 2.163 4.967) 6.513 21.441 ( -8.281 -0.485 -3.405) 8.967 21.642 ( 7.167 -5.453 9.413) 13.027 21.774 ( -5.392 0.444 2.887) 6.132 21.950 ( 3.077 -1.046 0.389) 3.273 22.094 ( 0.143 -0.920 -1.831) 2.054 ======================= Grid point 164 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -5.507 8.218 -1.916) 10.076 2.473 ( -0.025 -0.596 -5.368) 5.401 2.831 ( -6.505 -5.899 4.324) 9.788 3.218 ( 4.620 -2.343 0.541) 5.209 3.451 ( 4.997 7.336 11.557) 14.573 3.567 ( 0.052 -5.645 3.269) 6.524 3.751 ( -5.155 3.022 -10.318) 11.924 3.916 ( 10.084 -6.077 -10.242) 15.605 4.036 ( 1.869 -7.629 0.934) 7.910 4.116 ( -0.908 -5.292 2.656) 5.991 4.367 ( 4.380 -12.939 -0.682) 13.678 4.543 ( 7.255 -3.016 4.298) 8.956 4.598 ( -1.977 18.786 1.069) 18.920 4.624 ( -2.771 15.525 -0.698) 15.786 4.661 ( -8.526 -4.170 3.126) 9.993 4.754 ( 0.877 7.569 5.237) 9.246 4.851 ( -3.052 9.516 8.525) 13.135 5.041 ( -2.709 5.341 17.645) 18.634 5.075 ( -1.111 4.349 4.188) 6.139 5.221 ( 3.199 23.859 3.531) 24.330 5.474 ( 11.566 2.413 7.205) 13.838 5.534 ( -20.670 -21.610 6.878) 30.685 5.978 ( 1.146 4.099 3.951) 5.808 6.187 ( -0.440 -9.249 -7.649) 12.010 6.256 ( 5.527 -9.937 1.181) 11.432 6.302 ( -3.427 -3.432 -1.504) 5.078 6.456 ( -6.026 2.131 0.436) 6.407 6.629 ( -0.820 -2.051 -2.225) 3.135 6.734 ( -0.577 -1.480 -2.417) 2.893 6.792 ( 1.222 0.223 -1.313) 1.807 7.049 ( 0.339 2.479 -0.803) 2.628 7.285 ( 12.553 -1.932 0.628) 12.716 7.299 ( -6.933 -1.574 -0.522) 7.128 7.469 ( 5.118 -1.044 0.473) 5.245 7.526 ( 2.153 -4.839 3.969) 6.618 7.704 ( 10.071 -0.701 -1.168) 10.163 7.886 ( -9.004 -3.617 -6.976) 11.951 8.028 ( -6.349 -1.678 -8.104) 10.431 8.076 ( -4.361 -2.891 -7.655) 9.272 8.358 ( 6.432 -1.985 2.706) 7.255 8.466 ( 0.018 -4.811 -3.494) 5.946 8.577 ( 9.788 -2.473 4.948) 11.243 8.760 ( 5.378 1.312 7.325) 9.181 9.128 ( -14.153 7.667 -5.047) 16.869 9.338 ( -8.830 3.224 0.936) 9.447 9.581 ( 0.206 -0.749 2.716) 2.825 9.932 ( 8.610 5.742 -4.164) 11.155 10.255 ( -2.057 -1.637 -7.177) 7.643 10.418 ( 2.697 0.252 -4.972) 5.662 10.470 ( -2.147 1.167 -2.986) 3.859 12.381 ( 2.836 7.625 -2.193) 8.425 12.519 ( -2.411 -4.592 -2.050) 5.577 12.900 ( -2.328 0.053 -2.178) 3.189 13.230 ( 0.892 -1.616 -0.839) 2.027 13.887 ( -12.423 0.053 -7.051) 14.284 13.996 ( 14.436 3.776 7.084) 16.518 14.228 ( -0.422 0.781 -0.864) 1.238 14.434 ( 0.996 -1.554 9.385) 9.564 14.505 ( 2.582 -4.364 -1.951) 5.434 14.687 ( -2.233 4.949 3.890) 6.679 14.819 ( -6.371 -6.082 21.098) 22.863 14.928 ( -1.331 -2.153 10.570) 10.869 15.212 ( 2.515 4.980 7.574) 9.407 15.280 ( 7.077 4.231 -2.050) 8.496 15.353 ( 6.694 0.244 0.080) 6.699 15.605 ( -4.950 -3.047 -10.209) 11.748 15.673 ( -3.646 -5.422 -11.064) 12.850 16.025 ( -0.414 2.020 8.751) 8.991 16.240 ( -4.592 2.544 8.284) 9.807 16.468 ( -6.716 0.863 12.240) 13.988 16.554 ( 13.070 3.448 -10.892) 17.359 16.980 ( -9.507 -4.061 -6.653) 12.294 17.204 ( 1.322 3.954 -4.678) 6.266 17.419 ( -1.203 -2.763 -13.936) 14.258 17.726 ( 5.608 -3.219 -16.308) 17.544 17.840 ( 2.282 -3.321 0.231) 4.036 18.319 ( 4.680 -2.974 -13.523) 14.615 18.579 ( -6.061 11.739 -1.241) 13.270 18.652 ( 1.664 -10.992 -1.835) 11.268 18.860 ( -1.193 19.343 1.270) 19.421 19.366 ( -0.986 -3.624 6.978) 7.925 20.171 ( 2.044 -2.736 2.052) 3.984 20.800 ( -3.450 -6.413 -0.692) 7.315 21.058 ( 8.225 -6.302 2.216) 10.596 21.186 ( 5.053 2.124 7.611) 9.380 21.358 ( -8.689 0.830 -2.215) 9.005 21.611 ( -11.182 3.211 1.023) 11.679 21.825 ( 4.196 -1.801 7.167) 8.498 21.968 ( 5.441 2.778 -0.945) 6.182 22.111 ( -1.069 -0.746 -3.401) 3.642 ======================= Grid point 169 (84/129) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 23.296 0.000 -16.875) 28.765 2.009 ( -19.763 -0.000 -0.646) 19.774 2.208 ( 6.975 0.000 -4.104) 8.092 2.408 ( -5.798 -0.000 -18.047) 18.956 2.693 ( 22.339 0.000 11.383) 25.072 2.915 ( 1.117 0.000 -5.903) 6.008 3.018 ( -5.088 -0.000 -0.321) 5.098 3.173 ( -13.235 -0.000 -2.858) 13.540 3.293 ( -22.440 -0.000 26.191) 34.489 3.565 ( 23.614 0.000 1.824) 23.684 3.866 ( 8.734 0.000 9.416) 12.842 3.971 ( 0.238 0.000 6.422) 6.426 4.583 ( 4.689 0.000 2.123) 5.147 4.700 ( -20.250 -0.000 13.538) 24.359 4.857 ( 28.505 0.000 15.725) 32.555 4.859 ( -31.207 -0.000 -5.638) 31.712 5.181 ( -2.844 -0.000 20.535) 20.732 5.374 ( -18.961 -0.000 -1.845) 19.051 5.785 ( -6.898 -0.000 -12.368) 14.162 5.880 ( 42.911 0.000 19.836) 47.274 5.900 ( 1.817 0.000 -4.118) 4.501 5.920 ( -9.854 -0.000 -14.762) 17.748 6.211 ( -10.611 -0.000 -4.597) 11.564 6.310 ( 11.378 0.000 4.509) 12.239 6.397 ( 4.541 0.000 -2.382) 5.128 6.600 ( -2.220 -0.000 -3.192) 3.888 6.722 ( 2.556 0.000 2.183) 3.361 6.777 ( 8.955 0.000 -13.316) 16.047 6.810 ( 3.066 0.000 -1.398) 3.370 7.063 ( 0.623 0.000 -0.493) 0.794 7.066 ( -3.288 -0.000 1.426) 3.583 7.187 ( -2.761 -0.000 0.281) 2.775 7.256 ( 14.523 0.000 8.082) 16.620 7.301 ( 9.895 0.000 14.922) 17.904 7.324 ( -0.951 -0.000 1.900) 2.125 7.558 ( -9.244 -0.000 -4.421) 10.246 7.693 ( -3.659 -0.000 3.996) 5.418 7.700 ( -21.716 -0.000 -15.613) 26.746 7.867 ( 10.735 0.000 -0.163) 10.737 8.076 ( -4.315 -0.000 -2.685) 5.082 8.095 ( -8.498 -0.000 -4.433) 9.585 8.452 ( 5.631 0.000 28.073) 28.632 8.689 ( -9.639 -0.000 -12.991) 16.176 8.877 ( 9.573 0.000 6.124) 11.364 8.945 ( 15.262 0.000 14.078) 20.763 9.719 ( -12.291 -0.000 -8.060) 14.698 10.174 ( 8.862 0.000 -2.273) 9.149 10.211 ( -0.001 -0.000 -11.370) 11.370 10.376 ( -7.654 -0.000 -2.517) 8.058 10.402 ( -0.723 -0.000 -5.701) 5.746 12.400 ( -6.843 -0.000 -7.354) 10.046 12.851 ( 8.354 0.000 -0.867) 8.399 13.652 ( -0.582 -0.000 -0.905) 1.076 13.694 ( 0.193 0.000 -6.333) 6.336 14.023 ( 14.544 0.000 6.883) 16.090 14.177 ( 2.848 0.000 -4.844) 5.619 14.312 ( -11.218 -0.000 16.970) 20.342 14.530 ( 2.541 0.000 11.623) 11.897 14.571 ( -22.887 -0.000 -7.513) 24.089 14.694 ( -3.472 -0.000 9.093) 9.733 14.961 ( -1.909 -0.000 1.472) 2.411 15.189 ( 0.491 0.000 2.763) 2.807 15.232 ( 21.106 0.000 10.037) 23.371 15.308 ( -2.919 -0.000 4.771) 5.593 15.876 ( -12.975 -0.000 -11.529) 17.357 16.052 ( -4.561 -0.000 -8.447) 9.600 16.174 ( 7.897 0.000 -15.294) 17.212 16.372 ( 3.760 0.000 -4.832) 6.123 16.631 ( 2.731 0.000 4.473) 5.241 16.699 ( 0.801 0.000 5.076) 5.139 16.807 ( -9.058 -0.000 3.873) 9.851 17.156 ( 2.772 0.000 -13.861) 14.136 17.185 ( 1.101 0.000 0.761) 1.339 17.245 ( -1.259 -0.000 -0.806) 1.495 17.431 ( 3.360 0.000 -7.241) 7.983 17.561 ( 0.421 0.000 0.386) 0.571 17.753 ( -8.581 -0.000 3.937) 9.441 17.923 ( -0.255 -0.000 -0.487) 0.550 17.926 ( -7.950 -0.000 -22.162) 23.545 18.904 ( 7.645 0.000 10.444) 12.943 19.265 ( 5.702 0.000 -11.103) 12.482 19.715 ( -4.613 -0.000 -5.240) 6.981 20.435 ( 1.188 0.000 -3.324) 3.529 20.856 ( 5.501 0.000 11.246) 12.520 21.234 ( 2.295 0.000 3.773) 4.416 21.272 ( 3.866 0.000 8.599) 9.428 21.514 ( -7.254 -0.000 -4.757) 8.675 21.671 ( -1.950 -0.000 -1.745) 2.617 21.909 ( -2.060 -0.000 5.046) 5.450 22.166 ( 3.654 0.000 3.853) 5.310 ======================= Grid point 170 (85/129) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 9.693 0.102 -11.534) 15.066 2.029 ( -11.806 -13.580 -6.373) 19.090 2.464 ( -5.527 -16.811 -11.967) 21.363 2.636 ( 2.110 -31.020 -2.434) 31.187 2.942 ( 9.777 -7.385 1.030) 12.296 3.007 ( 3.872 -8.526 1.008) 9.418 3.049 ( -4.804 -8.061 0.353) 9.391 3.097 ( -17.321 -2.610 18.396) 25.401 3.152 ( -7.455 -7.513 2.432) 10.860 3.814 ( 12.542 -5.414 -6.786) 15.253 3.979 ( 19.736 -6.059 4.487) 21.127 4.046 ( 14.543 2.598 10.781) 18.288 4.492 ( -12.111 2.616 6.280) 13.891 4.608 ( -10.269 -0.162 9.406) 13.926 4.684 ( -17.712 -5.657 6.988) 19.863 5.074 ( -22.210 2.136 11.464) 25.085 5.140 ( 27.316 -1.748 15.480) 31.446 5.223 ( -8.834 0.864 14.004) 16.580 5.598 ( -17.504 4.877 -8.407) 20.021 5.723 ( -5.505 14.505 -0.881) 15.540 5.932 ( 5.250 1.431 -16.153) 17.045 6.101 ( 7.497 5.885 -5.337) 10.924 6.127 ( -7.743 1.288 -4.214) 8.909 6.225 ( 6.604 13.677 -0.489) 15.196 6.373 ( 9.543 14.103 2.580) 17.223 6.655 ( 17.686 -4.321 9.859) 20.705 6.736 ( 2.216 1.730 0.761) 2.913 6.833 ( 3.975 1.168 -1.295) 4.341 6.861 ( 3.821 0.039 -1.443) 4.085 6.953 ( 8.186 2.863 -5.468) 10.252 7.163 ( -2.634 0.333 0.665) 2.737 7.187 ( -0.202 -4.025 -1.061) 4.168 7.289 ( -1.242 0.604 4.608) 4.810 7.363 ( 5.375 1.987 3.801) 6.877 7.390 ( 5.094 -7.331 -2.012) 9.151 7.486 ( -8.099 1.617 -5.489) 9.917 7.596 ( -4.989 -9.602 -3.527) 11.381 7.799 ( -4.463 -7.386 0.866) 8.673 7.827 ( 7.194 11.449 1.273) 13.581 8.007 ( 2.686 0.888 0.421) 2.861 8.144 ( 0.146 -4.959 -0.814) 5.027 8.533 ( -8.608 -2.212 -7.283) 11.491 8.678 ( 7.049 -6.465 17.806) 20.212 9.045 ( 8.367 -5.157 8.691) 13.120 9.156 ( 8.657 -12.425 8.013) 17.133 9.569 ( -14.984 2.678 -8.448) 17.409 10.186 ( -0.449 0.673 -10.124) 10.156 10.219 ( -10.525 -2.243 -6.273) 12.456 10.315 ( 6.042 3.184 -0.316) 6.837 10.397 ( -0.747 -0.413 -5.568) 5.633 12.362 ( -4.399 -1.453 -5.819) 7.438 12.902 ( 3.173 -0.033 -2.385) 3.969 13.493 ( 0.918 17.853 -4.629) 18.466 13.552 ( -1.531 8.993 -1.544) 9.252 14.146 ( 6.076 -1.119 5.785) 8.464 14.207 ( -1.864 -1.283 2.170) 3.135 14.324 ( -9.982 -3.736 4.330) 11.504 14.363 ( -7.642 1.423 -1.339) 7.888 14.599 ( -2.074 -3.341 16.107) 16.580 14.774 ( 2.255 -8.496 1.626) 8.940 14.920 ( -0.942 3.085 4.324) 5.394 15.150 ( 0.068 3.823 2.322) 4.473 15.259 ( -0.209 2.790 0.963) 2.959 15.384 ( 18.625 3.104 8.839) 20.849 15.736 ( -13.809 1.840 -11.430) 18.020 15.894 ( -2.723 12.473 -2.488) 13.007 16.162 ( 0.696 21.935 0.093) 21.946 16.208 ( 0.088 5.071 -2.259) 5.552 16.456 ( 0.425 18.895 -2.710) 19.094 16.600 ( 0.880 6.347 -1.416) 6.563 16.633 ( -0.561 4.009 3.987) 5.682 16.835 ( -0.446 13.042 -1.099) 13.096 17.198 ( 1.825 1.912 -11.271) 11.576 17.403 ( 1.903 -4.911 -7.790) 9.403 17.466 ( -0.505 -15.189 -1.120) 15.239 17.712 ( -2.109 -16.306 -4.566) 17.064 17.803 ( -4.490 0.958 -11.962) 12.813 17.925 ( -4.393 -2.688 -2.685) 5.808 18.377 ( -3.488 -36.004 -4.207) 36.417 18.933 ( -5.123 -1.359 16.377) 17.213 19.406 ( 16.565 -5.071 -12.569) 21.403 19.653 ( -6.506 1.928 -4.487) 8.135 20.464 ( 2.503 -2.101 -3.517) 4.801 20.947 ( 3.922 -3.101 6.067) 7.862 21.256 ( 3.617 0.599 4.005) 5.430 21.336 ( 3.909 -3.356 9.281) 10.615 21.464 ( -3.824 -0.695 -2.490) 4.616 21.700 ( -2.450 -4.884 -1.575) 5.686 21.871 ( -3.709 1.351 4.089) 5.684 22.177 ( 3.659 2.291 3.393) 5.491 ======================= Grid point 171 (86/129) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.483 0.373 -4.740) 5.894 2.174 ( -5.807 -10.598 -15.118) 19.355 2.727 ( -10.326 -6.199 12.208) 17.149 2.922 ( -1.446 -9.019 2.883) 9.578 3.170 ( 2.877 -13.367 -3.924) 14.225 3.246 ( -0.625 -20.603 1.322) 20.655 3.256 ( -3.610 -18.536 -2.405) 19.036 3.369 ( 7.456 -18.745 5.371) 20.876 3.484 ( 3.705 -27.062 -2.299) 27.411 3.972 ( 6.151 -5.379 -12.067) 14.573 4.110 ( 1.254 -4.291 1.483) 4.710 4.327 ( -0.178 -2.663 2.614) 3.736 4.424 ( -1.209 -6.585 9.478) 11.604 4.588 ( 8.628 -5.179 7.569) 12.592 4.675 ( -14.344 -4.301 8.127) 17.038 4.868 ( -15.617 -5.994 17.388) 24.128 5.102 ( -6.499 5.979 20.456) 22.281 5.284 ( -2.521 17.048 5.713) 18.156 5.384 ( -10.938 10.019 -5.611) 15.859 5.420 ( 21.641 1.463 11.786) 24.686 5.754 ( -7.444 21.921 -5.479) 23.790 5.851 ( -2.377 16.719 4.898) 17.583 6.007 ( 1.686 4.554 -10.632) 11.689 6.136 ( -3.282 -2.629 -5.045) 6.568 6.168 ( 7.857 11.012 -5.435) 14.579 6.682 ( 0.262 5.505 0.150) 5.514 6.709 ( 0.192 4.182 -1.221) 4.360 6.738 ( -2.735 7.257 1.610) 7.921 6.981 ( 0.062 4.696 0.380) 4.711 7.058 ( 15.772 -0.670 -7.867) 17.638 7.175 ( 15.038 -2.329 12.094) 19.438 7.220 ( -5.818 -0.577 -0.737) 5.893 7.312 ( 1.141 -3.012 3.382) 4.670 7.399 ( 2.093 11.312 -1.944) 11.667 7.406 ( 6.812 0.015 1.110) 6.902 7.551 ( -6.494 -6.487 -12.449) 15.467 7.698 ( -0.073 -6.051 2.309) 6.478 7.801 ( 6.324 -8.923 -4.626) 11.875 7.849 ( 0.049 -2.365 -4.119) 4.750 8.081 ( 4.711 -5.187 4.031) 8.084 8.300 ( 2.150 -7.262 2.156) 7.875 8.461 ( -3.449 -1.198 -10.504) 11.121 8.891 ( 13.247 -0.927 16.688) 21.327 9.217 ( 6.072 -5.442 8.880) 12.056 9.359 ( -13.220 0.588 -4.610) 14.013 9.451 ( -0.597 -6.736 0.824) 6.813 10.107 ( -7.361 1.734 -7.894) 10.931 10.191 ( -4.646 -3.551 -7.391) 9.425 10.355 ( 6.262 -0.445 0.379) 6.289 10.400 ( -0.709 -0.782 -6.203) 6.293 12.375 ( -1.403 -2.730 -3.806) 4.890 12.899 ( -4.132 0.597 -4.736) 6.313 13.058 ( -8.370 22.223 -5.113) 24.291 13.390 ( 4.787 9.355 -0.211) 10.510 14.083 ( -14.500 5.754 -4.992) 16.379 14.222 ( 5.000 -0.700 10.421) 11.580 14.266 ( 1.298 -2.718 0.258) 3.023 14.360 ( 2.920 6.142 6.341) 9.298 14.619 ( -4.002 -1.397 15.234) 15.812 14.798 ( -2.534 5.876 1.456) 6.562 14.935 ( 4.341 0.677 6.016) 7.450 15.072 ( -1.207 5.011 4.091) 6.581 15.307 ( 4.995 -7.094 -3.713) 9.437 15.378 ( 6.711 15.718 4.490) 17.670 15.524 ( 7.996 13.184 3.900) 15.905 15.580 ( -15.187 3.969 -11.165) 19.263 15.810 ( 5.296 15.255 -1.642) 16.231 16.069 ( -3.485 2.977 12.688) 13.490 16.289 ( -3.863 1.160 0.832) 4.118 16.546 ( -2.943 3.379 1.517) 4.730 16.599 ( -0.244 -5.582 -5.618) 7.924 16.731 ( 4.988 4.619 -2.919) 7.399 17.179 ( -1.049 0.017 -9.843) 9.899 17.468 ( 2.850 -1.453 -14.137) 14.494 17.672 ( -1.505 1.458 -17.808) 17.931 17.799 ( -5.125 -7.267 -1.295) 8.987 17.898 ( 2.185 -11.560 -1.716) 11.889 18.083 ( -2.258 -15.754 -4.085) 16.431 18.782 ( -13.092 -6.076 9.421) 17.236 18.996 ( -0.216 -15.753 2.056) 15.888 19.470 ( -1.696 10.606 -0.170) 10.742 19.730 ( 9.639 -13.111 -6.928) 17.686 20.574 ( 5.480 -6.062 -2.379) 8.512 20.989 ( 1.886 0.690 2.899) 3.527 21.250 ( -0.096 1.581 1.453) 2.149 21.393 ( -0.414 0.252 0.407) 0.634 21.581 ( 8.243 -8.383 7.949) 14.192 21.737 ( -6.029 0.202 3.176) 6.817 21.851 ( -2.862 -5.009 -1.903) 6.075 22.156 ( 3.385 2.976 2.509) 5.159 ======================= Grid point 172 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -7.163 6.014 -0.543) 9.369 2.332 ( -5.801 -12.295 -14.924) 20.188 2.694 ( -4.695 -1.293 12.696) 13.598 3.068 ( -0.046 -6.907 -5.218) 8.657 3.401 ( 2.600 -9.579 0.681) 9.949 3.607 ( -0.079 -8.200 6.945) 10.746 3.653 ( 3.382 -21.720 -8.915) 23.721 3.750 ( 5.368 -15.869 1.458) 16.816 3.891 ( 13.986 -4.953 6.386) 16.153 4.109 ( 1.672 -5.862 -7.728) 9.843 4.194 ( -11.011 3.643 -0.582) 11.612 4.374 ( -1.094 -19.872 4.030) 20.306 4.521 ( 1.734 -4.959 -6.437) 8.309 4.682 ( -15.455 -19.373 15.906) 29.448 4.762 ( -11.172 -11.973 7.367) 17.957 4.856 ( -2.642 11.118 3.263) 11.885 4.977 ( -5.230 12.275 15.765) 20.653 5.110 ( -1.954 9.519 4.003) 10.509 5.126 ( -4.135 15.795 2.846) 16.574 5.194 ( -2.213 4.902 -0.164) 5.381 5.459 ( 5.576 11.719 5.875) 14.246 5.674 ( 12.709 2.766 15.126) 19.949 6.013 ( 15.543 1.675 3.944) 16.123 6.134 ( 6.827 -1.253 -5.117) 8.623 6.174 ( -0.718 -4.545 0.034) 4.602 6.498 ( -3.554 10.931 4.588) 12.376 6.600 ( -0.358 9.106 -3.330) 9.703 6.635 ( -0.539 3.589 -2.359) 4.328 6.843 ( -1.750 7.825 -0.526) 8.035 6.914 ( 2.263 21.931 -2.831) 22.228 7.110 ( -1.894 4.774 1.519) 5.356 7.186 ( -7.305 -1.440 -3.562) 8.254 7.368 ( 11.474 -2.118 -3.936) 12.314 7.420 ( 0.158 -3.796 -1.039) 3.939 7.523 ( 7.589 -3.669 3.080) 8.974 7.549 ( -20.306 -7.975 -18.757) 28.770 7.808 ( -4.852 0.338 -1.512) 5.094 7.918 ( -0.449 -5.265 -3.158) 6.156 7.992 ( 5.234 -4.400 -3.180) 7.541 8.288 ( 1.621 -5.372 0.652) 5.649 8.400 ( 14.398 -10.949 -2.704) 18.290 8.644 ( 18.664 -5.202 9.761) 21.696 8.911 ( 4.848 6.900 7.548) 11.318 9.131 ( -10.084 4.485 -0.344) 11.042 9.348 ( -6.849 5.450 0.571) 8.771 9.493 ( -4.537 -6.866 0.069) 8.230 10.042 ( -1.584 1.432 -8.399) 8.666 10.234 ( 3.109 -0.671 -3.949) 5.070 10.401 ( -2.135 -1.528 -7.660) 8.097 10.450 ( 4.409 -3.673 1.076) 5.839 12.427 ( -1.565 -3.091 -2.984) 4.572 12.567 ( -10.758 14.211 -4.776) 18.453 12.873 ( -4.235 1.104 -3.496) 5.601 13.297 ( 5.584 5.533 -0.197) 7.864 13.847 ( -10.469 6.159 -4.304) 12.886 14.226 ( 0.696 5.011 2.552) 5.666 14.284 ( 13.990 5.666 8.126) 17.142 14.380 ( 3.501 -6.359 5.850) 9.323 14.564 ( -1.127 5.970 2.532) 6.582 14.691 ( -4.331 0.250 13.794) 14.460 14.837 ( -3.410 12.106 6.159) 14.004 14.914 ( -1.200 2.361 8.000) 8.427 15.240 ( 1.137 0.546 0.829) 1.509 15.387 ( -12.423 1.147 -8.065) 14.856 15.431 ( 4.871 6.978 6.288) 10.581 15.562 ( 7.481 -8.160 -9.026) 14.284 15.665 ( 9.592 8.370 -3.359) 13.166 16.038 ( -2.655 0.102 9.837) 10.189 16.223 ( -7.444 0.794 10.291) 12.726 16.445 ( -5.140 2.961 2.655) 6.500 16.686 ( -1.681 0.446 2.223) 2.823 16.793 ( 6.002 -7.839 -13.191) 16.476 17.215 ( 3.158 -4.099 -11.459) 12.573 17.412 ( -4.364 4.726 -13.048) 14.547 17.700 ( 0.005 -1.255 -8.530) 8.621 17.799 ( 3.659 -3.806 -8.074) 9.647 18.206 ( 2.423 -11.935 -6.166) 13.650 18.385 ( 2.561 -17.582 -5.995) 18.752 18.643 ( -14.464 4.378 6.441) 16.427 19.176 ( -7.324 12.023 -3.796) 14.581 19.271 ( 4.112 -4.740 7.274) 9.607 20.043 ( 4.606 -12.089 -0.069) 12.937 20.721 ( 4.120 -2.582 1.115) 4.989 21.040 ( 7.802 -4.154 1.245) 8.926 21.214 ( -4.228 -0.081 0.160) 4.232 21.372 ( 3.812 3.456 4.158) 6.615 21.595 ( -9.275 4.652 2.231) 10.614 21.797 ( 3.028 -5.111 2.889) 6.606 21.939 ( -1.976 -4.847 -0.813) 5.297 22.146 ( 4.160 1.311 0.416) 4.381 ======================= Grid point 178 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -22.218 -0.000 4.104) 22.594 1.956 ( -5.662 -0.000 -6.577) 8.678 2.225 ( -5.086 -0.000 -23.592) 24.134 2.347 ( 8.898 0.000 -1.068) 8.962 2.847 ( -19.265 -0.000 12.419) 22.921 2.905 ( -7.788 -0.000 -5.016) 9.264 2.948 ( 2.107 0.000 -6.659) 6.984 3.021 ( -0.929 -0.000 7.416) 7.474 3.108 ( 15.900 0.000 8.474) 18.017 3.834 ( 5.015 0.000 -16.373) 17.124 3.979 ( -4.260 -0.000 -1.227) 4.433 4.303 ( 31.824 0.000 19.080) 37.105 4.350 ( -20.552 -0.000 17.716) 27.134 4.574 ( -4.355 -0.000 9.649) 10.587 4.608 ( 11.450 0.000 17.357) 20.794 4.858 ( -27.865 -0.000 -0.338) 27.868 5.216 ( -1.650 -0.000 27.476) 27.526 5.380 ( 23.486 0.000 10.706) 25.811 5.443 ( -13.871 -0.000 -11.561) 18.058 5.845 ( -3.525 -0.000 2.302) 4.210 5.986 ( 4.610 0.000 -17.273) 17.878 6.005 ( -10.567 -0.000 -4.992) 11.687 6.247 ( -1.098 -0.000 -7.154) 7.238 6.446 ( -0.861 -0.000 -2.080) 2.251 6.561 ( 2.118 0.000 -0.614) 2.206 6.749 ( 0.740 0.000 -0.138) 0.753 6.812 ( 25.996 0.000 7.099) 26.948 6.888 ( 10.560 0.000 3.915) 11.262 6.891 ( 1.991 0.000 -5.045) 5.423 7.030 ( 1.652 0.000 7.118) 7.307 7.120 ( -5.072 -0.000 0.478) 5.094 7.140 ( -8.099 -0.000 -20.870) 22.387 7.285 ( -4.451 -0.000 -1.861) 4.824 7.320 ( -0.590 -0.000 1.580) 1.686 7.339 ( 11.413 0.000 -5.500) 12.669 7.421 ( -3.813 -0.000 -0.530) 3.850 7.624 ( 8.250 0.000 13.599) 15.906 7.663 ( -0.086 -0.000 2.173) 2.175 8.060 ( 4.599 0.000 0.275) 4.607 8.061 ( 8.998 0.000 -1.145) 9.070 8.081 ( 0.230 0.000 -1.552) 1.569 8.425 ( -5.520 -0.000 -11.352) 12.623 8.723 ( 18.126 0.000 29.944) 35.002 8.946 ( -1.838 -0.000 0.841) 2.021 9.193 ( 10.627 0.000 10.993) 15.290 9.456 ( -14.876 -0.000 -6.552) 16.255 10.084 ( -15.459 -0.000 -6.975) 16.960 10.159 ( -4.780 -0.000 -12.092) 13.002 10.381 ( -1.545 -0.000 -5.381) 5.599 10.416 ( 8.422 0.000 0.949) 8.475 12.317 ( -2.121 -0.000 -4.777) 5.227 12.906 ( -2.101 -0.000 -4.994) 5.418 13.640 ( -8.308 -0.000 -10.577) 13.450 13.644 ( -0.314 -0.000 -0.410) 0.516 14.096 ( -14.718 -0.000 -4.930) 15.522 14.144 ( -7.278 -0.000 12.406) 14.383 14.228 ( 2.130 0.000 -4.462) 4.944 14.453 ( 17.599 0.000 9.445) 19.974 14.549 ( -2.121 -0.000 16.583) 16.718 14.682 ( 1.914 0.000 2.271) 2.970 14.951 ( 0.653 0.000 5.641) 5.678 15.175 ( -2.442 -0.000 2.350) 3.389 15.317 ( 3.940 0.000 1.243) 4.132 15.577 ( 16.770 0.000 7.079) 18.204 15.605 ( -16.099 -0.000 -13.420) 20.959 15.968 ( -4.525 -0.000 -2.779) 5.310 16.214 ( -3.666 -0.000 3.727) 5.227 16.406 ( 0.115 0.000 -2.568) 2.571 16.643 ( -1.679 -0.000 2.676) 3.159 16.652 ( -8.082 -0.000 1.295) 8.185 16.738 ( 4.339 0.000 -2.102) 4.821 17.203 ( 0.186 0.000 0.200) 0.273 17.222 ( 5.952 0.000 -19.025) 19.934 17.227 ( -0.047 -0.000 -0.140) 0.148 17.341 ( -9.914 -0.000 11.186) 14.947 17.571 ( 0.583 0.000 0.154) 0.603 17.709 ( -3.544 -0.000 -20.016) 20.328 17.830 ( 3.475 0.000 -22.588) 22.854 17.912 ( -0.895 -0.000 -0.347) 0.960 18.843 ( -12.439 -0.000 17.792) 21.709 19.498 ( 15.978 0.000 -12.507) 20.291 19.639 ( -1.770 -0.000 -0.982) 2.024 20.471 ( 3.868 0.000 -4.700) 6.087 20.947 ( 3.883 0.000 5.988) 7.137 21.275 ( 0.144 0.000 2.502) 2.506 21.322 ( -0.462 -0.000 6.429) 6.446 21.462 ( 4.885 0.000 3.055) 5.761 21.632 ( -2.304 -0.000 -2.422) 3.343 21.851 ( -4.461 -0.000 4.196) 6.124 22.231 ( 3.168 0.000 3.216) 4.514 ======================= Grid point 179 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -21.132 -11.742 6.145) 24.944 2.048 ( -5.327 -12.764 -3.462) 14.258 2.305 ( -11.452 -22.170 -13.518) 28.379 2.662 ( 0.696 -11.964 1.550) 12.085 2.788 ( -6.706 -17.503 2.432) 18.901 2.930 ( -7.301 -13.288 -7.130) 16.754 3.046 ( 3.511 -7.026 -5.592) 9.642 3.056 ( 3.269 -2.274 0.506) 4.014 3.324 ( 14.710 -7.083 8.153) 18.249 3.879 ( -12.227 -3.834 11.698) 17.350 3.919 ( -3.369 -2.692 -18.932) 19.417 4.228 ( -17.427 -4.084 14.969) 23.334 4.457 ( -13.060 -0.851 7.324) 14.998 4.594 ( 2.385 1.351 4.128) 4.955 4.700 ( 20.711 5.011 10.087) 23.575 4.805 ( 25.987 -3.281 20.298) 33.137 5.168 ( -3.472 3.971 24.563) 25.123 5.276 ( -14.640 -0.631 -9.974) 17.726 5.614 ( 10.958 8.497 7.781) 15.900 5.691 ( 12.159 8.916 7.514) 16.846 5.905 ( -7.658 1.004 -5.016) 9.210 6.025 ( -0.930 0.861 -6.654) 6.774 6.096 ( -3.872 10.671 -2.015) 11.530 6.227 ( -4.043 13.307 -6.202) 15.228 6.459 ( -0.319 12.260 -6.378) 13.823 6.739 ( -0.949 1.425 -0.438) 1.768 6.766 ( -10.922 0.721 -8.272) 13.720 6.829 ( -2.255 4.886 -2.156) 5.797 7.008 ( -0.560 1.053 1.445) 1.873 7.092 ( 0.081 -3.003 -3.119) 4.331 7.155 ( -3.868 -3.911 -6.426) 8.459 7.247 ( 17.218 -4.733 7.894) 19.524 7.268 ( -3.689 -0.006 1.797) 4.103 7.300 ( 3.834 0.615 -2.596) 4.671 7.459 ( 3.925 -0.040 -0.869) 4.021 7.508 ( 9.393 -5.900 6.059) 12.639 7.687 ( 15.619 -5.554 -4.484) 17.173 7.807 ( 5.147 -6.103 5.472) 9.678 7.946 ( 1.943 10.619 -3.126) 11.239 8.064 ( 2.045 2.161 -0.244) 2.985 8.146 ( -1.640 -4.739 -4.156) 6.513 8.489 ( 14.150 -2.101 0.302) 14.308 8.981 ( 17.760 -6.359 18.054) 26.111 9.061 ( -2.973 -10.785 1.236) 11.256 9.203 ( -14.558 -0.007 -6.259) 15.846 9.424 ( 8.868 -2.617 10.037) 13.647 9.954 ( -16.114 -2.806 -6.964) 17.777 10.112 ( -5.645 -0.817 -10.287) 11.762 10.369 ( -2.074 -0.619 -5.668) 6.067 10.459 ( 6.969 2.366 0.571) 7.382 12.324 ( 0.094 -1.779 -3.666) 4.076 12.854 ( -8.880 0.847 -8.005) 11.985 13.314 ( -16.841 17.414 -7.848) 25.464 13.596 ( 2.683 6.307 -1.463) 7.008 14.003 ( -12.977 -1.853 -3.347) 13.529 14.148 ( -1.960 -4.273 9.451) 10.556 14.266 ( -0.287 -1.696 -2.799) 3.285 14.522 ( 9.149 2.982 12.953) 16.136 14.571 ( 3.526 0.067 11.500) 12.029 14.817 ( 3.097 -4.020 -1.516) 5.296 14.949 ( 2.630 1.126 12.263) 12.592 15.153 ( 2.145 -0.888 -1.624) 2.833 15.318 ( 5.926 3.581 0.391) 6.935 15.441 ( -18.297 0.576 -14.187) 23.160 15.673 ( 13.348 5.912 7.650) 16.481 15.847 ( -3.566 9.529 2.265) 10.423 16.105 ( -8.007 11.904 12.724) 19.176 16.188 ( -0.641 10.465 2.532) 10.786 16.427 ( -3.165 19.035 0.081) 19.297 16.592 ( -3.137 3.869 0.168) 4.984 16.601 ( -1.943 10.032 -0.709) 10.243 16.884 ( 5.148 8.092 -8.833) 13.038 17.189 ( -0.692 2.205 -9.919) 10.185 17.455 ( 3.797 -3.848 -13.739) 14.764 17.468 ( 0.837 -18.451 -2.235) 18.605 17.658 ( -1.330 -5.116 -12.175) 13.273 17.752 ( -0.073 -10.912 -5.165) 12.072 17.872 ( -2.609 1.689 0.710) 3.188 18.319 ( -3.104 -31.535 -8.053) 32.694 18.754 ( -14.981 -3.811 13.132) 20.283 19.544 ( -4.842 1.920 -0.878) 5.282 19.721 ( 17.134 -2.701 -3.779) 17.753 20.543 ( 7.627 -3.327 -5.518) 9.984 21.000 ( 2.284 -1.309 3.203) 4.146 21.232 ( -6.658 0.517 -2.180) 7.025 21.407 ( 6.735 -4.410 6.614) 10.419 21.533 ( 7.343 -2.324 6.329) 9.968 21.649 ( -3.142 -3.721 -1.240) 5.026 21.796 ( -4.583 1.347 2.514) 5.398 22.232 ( 2.095 2.347 2.863) 4.253 ======================= Grid point 180 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -13.081 -9.822 3.615) 16.753 2.076 ( -6.982 -3.723 -3.776) 8.768 2.691 ( 5.554 -0.943 -5.292) 7.729 2.923 ( -1.210 -21.677 4.961) 22.271 3.162 ( -4.718 -29.075 -3.023) 29.610 3.209 ( -3.714 -24.923 -5.470) 25.786 3.240 ( 4.097 -10.765 -2.331) 11.752 3.460 ( 3.125 -32.569 -0.291) 32.720 3.601 ( 7.781 -12.504 3.668) 15.178 3.824 ( -20.615 -9.494 22.387) 31.880 3.935 ( -10.861 -1.258 -15.357) 18.852 4.193 ( -4.872 -3.101 -0.075) 5.775 4.405 ( -9.004 -6.704 5.417) 12.464 4.557 ( -6.405 -3.028 1.157) 7.179 4.756 ( 22.545 13.450 14.708) 30.091 5.022 ( -2.311 5.909 22.186) 23.076 5.139 ( -1.500 0.965 -3.766) 4.167 5.204 ( 13.778 1.357 2.735) 14.112 5.271 ( -0.220 16.811 2.824) 17.048 5.561 ( -9.321 25.474 -2.895) 27.280 5.708 ( -1.506 7.558 -0.750) 7.742 5.863 ( 5.112 8.187 18.203) 20.603 6.070 ( 15.115 -2.791 4.789) 16.100 6.199 ( 10.408 -2.447 0.258) 10.695 6.242 ( -1.410 6.461 -6.367) 9.180 6.645 ( -4.589 6.775 -0.534) 8.200 6.679 ( -3.755 3.144 -2.249) 5.389 6.702 ( -0.645 5.194 -0.327) 5.244 6.927 ( -4.399 3.525 -1.704) 5.889 7.105 ( -5.235 1.834 -0.857) 5.613 7.145 ( -5.212 -0.817 -5.108) 7.344 7.184 ( -14.111 0.714 -7.000) 15.768 7.356 ( 3.094 -2.344 -0.068) 3.882 7.402 ( 3.032 -2.991 -5.216) 6.733 7.491 ( 8.471 7.248 -5.211) 12.306 7.570 ( 7.907 12.284 2.792) 14.873 7.699 ( -12.118 -2.246 -1.055) 12.370 7.889 ( 5.564 -1.105 -1.213) 5.801 7.990 ( 11.627 -2.646 -2.417) 12.167 8.247 ( 18.117 -9.675 8.865) 22.370 8.319 ( 15.020 -10.462 -4.196) 18.780 8.673 ( 10.091 -4.670 4.330) 11.933 8.994 ( -11.174 3.098 -7.704) 13.922 9.182 ( 8.838 2.035 12.183) 15.188 9.244 ( -8.222 -13.087 -2.842) 15.715 9.421 ( -5.934 7.845 0.302) 9.841 9.967 ( -7.578 -3.873 -9.799) 12.979 10.186 ( 7.614 -9.826 -1.814) 12.562 10.364 ( -1.495 -0.723 -5.934) 6.162 10.463 ( 4.387 1.527 -0.002) 4.645 12.358 ( -4.446 -1.538 -5.199) 7.012 12.657 ( -16.108 7.367 -5.687) 18.603 12.918 ( -6.258 9.316 -2.132) 11.424 13.489 ( 4.971 8.271 -1.914) 9.838 13.884 ( -8.250 4.818 -1.018) 9.608 14.252 ( 0.841 -0.892 6.786) 6.896 14.279 ( -0.272 -5.979 -0.603) 6.016 14.539 ( 6.225 2.779 13.410) 15.043 14.579 ( 4.253 3.135 10.280) 11.559 14.772 ( -0.468 6.709 3.737) 7.694 14.961 ( -1.285 0.275 1.154) 1.749 15.102 ( 3.100 15.507 4.443) 16.426 15.250 ( -17.428 1.198 -13.173) 21.879 15.416 ( 4.409 4.677 0.947) 6.497 15.479 ( 8.215 4.729 -0.499) 9.491 15.654 ( 2.168 9.556 9.028) 13.324 15.913 ( 6.125 9.058 1.323) 11.014 16.007 ( -4.000 2.781 10.799) 11.847 16.173 ( -7.704 1.903 6.397) 10.193 16.477 ( -4.963 4.373 0.058) 6.616 16.546 ( -4.106 -4.003 -2.133) 6.118 16.847 ( 5.416 1.889 -2.067) 6.097 17.183 ( 3.999 -0.974 -19.704) 20.130 17.458 ( -0.655 2.671 -10.725) 11.072 17.688 ( -3.793 1.378 -1.664) 4.365 17.753 ( 6.672 -6.014 -16.031) 18.376 17.948 ( 3.359 -16.055 -1.902) 16.512 18.056 ( -0.451 -18.073 -4.646) 18.666 18.528 ( -16.829 -2.121 8.964) 19.185 18.922 ( -7.659 -20.223 -4.361) 22.061 19.422 ( -1.532 7.156 3.446) 8.089 19.924 ( 9.620 -5.947 1.150) 11.368 20.723 ( 11.422 -5.235 -2.054) 12.731 21.034 ( 3.503 -1.529 0.669) 3.880 21.166 ( -6.049 0.240 -0.266) 6.060 21.491 ( 7.786 2.332 4.982) 9.533 21.615 ( -5.752 3.769 2.467) 7.306 21.693 ( 0.340 -6.690 -1.106) 6.790 21.818 ( 0.309 -6.881 1.782) 7.115 22.199 ( 1.213 2.050 1.646) 2.896 ======================= Grid point 187 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -19.880 -0.000 11.576) 23.004 1.527 ( -31.097 -0.000 3.211) 31.262 2.149 ( -9.650 -0.000 -6.855) 11.837 2.503 ( 8.262 0.000 0.108) 8.263 2.704 ( 5.172 0.000 -9.375) 10.707 2.709 ( -10.553 -0.000 -9.448) 14.164 3.006 ( 3.199 0.000 -6.665) 7.393 3.068 ( 0.301 0.000 2.531) 2.549 3.393 ( 14.247 0.000 9.379) 17.057 3.709 ( -17.952 -0.000 29.338) 34.395 3.893 ( 1.408 0.000 -22.157) 22.202 4.026 ( -17.989 -0.000 20.538) 27.302 4.354 ( -8.727 -0.000 -2.846) 9.180 4.528 ( -8.565 -0.000 -4.088) 9.490 5.017 ( 17.854 0.000 18.582) 25.770 5.087 ( 45.012 0.000 20.841) 49.603 5.125 ( -12.592 -0.000 -17.956) 21.931 5.218 ( 3.898 0.000 22.296) 22.634 5.782 ( 0.902 0.000 2.187) 2.366 5.820 ( -9.951 -0.000 4.330) 10.853 5.926 ( 22.369 0.000 9.367) 24.251 6.010 ( 1.662 0.000 -9.174) 9.324 6.157 ( -6.349 -0.000 1.420) 6.506 6.318 ( -8.594 -0.000 -5.695) 10.309 6.449 ( -31.335 -0.000 -26.181) 40.832 6.646 ( 4.178 0.000 0.384) 4.196 6.735 ( -3.292 -0.000 -2.197) 3.958 6.849 ( -2.599 -0.000 -0.318) 2.618 7.007 ( -7.152 -0.000 -0.239) 7.156 7.093 ( 2.782 0.000 -4.644) 5.414 7.125 ( 5.163 0.000 4.441) 6.811 7.255 ( 0.774 0.000 4.864) 4.925 7.298 ( -0.686 -0.000 0.649) 0.944 7.364 ( -3.862 -0.000 -1.902) 4.305 7.456 ( 5.616 0.000 4.106) 6.957 7.652 ( 28.689 0.000 6.990) 29.528 7.695 ( 3.470 0.000 2.314) 4.170 7.798 ( 7.731 0.000 0.802) 7.773 7.962 ( 9.430 0.000 -10.523) 14.130 8.175 ( 9.738 0.000 2.124) 9.967 8.223 ( 8.140 0.000 -2.672) 8.567 8.601 ( 14.995 0.000 0.680) 15.010 8.799 ( -13.375 -0.000 -6.120) 14.709 9.051 ( -20.425 -0.000 -10.847) 23.126 9.173 ( 27.369 0.000 20.097) 33.956 9.488 ( 12.031 0.000 13.825) 18.327 9.770 ( -19.255 -0.000 -7.792) 20.772 10.044 ( -6.632 -0.000 -8.934) 11.126 10.340 ( -2.281 -0.000 -4.959) 5.459 10.533 ( 4.467 0.000 0.088) 4.468 12.309 ( -0.003 -0.000 -4.511) 4.511 12.763 ( -13.972 -0.000 -10.886) 17.712 13.339 ( -22.606 -0.000 -5.849) 23.350 13.638 ( -0.350 -0.000 -0.313) 0.469 13.844 ( -10.904 -0.000 -3.410) 11.425 14.090 ( -0.278 -0.000 5.481) 5.488 14.246 ( 0.191 0.000 -2.439) 2.446 14.516 ( -2.360 -0.000 15.276) 15.457 14.735 ( 3.992 0.000 1.930) 4.434 14.855 ( 24.440 0.000 12.822) 27.599 14.992 ( 2.566 0.000 10.598) 10.904 15.144 ( -0.264 -0.000 -2.184) 2.200 15.267 ( -20.132 -0.000 -15.849) 25.622 15.419 ( 7.190 0.000 2.448) 7.595 15.855 ( 13.464 0.000 5.112) 14.402 15.871 ( -7.949 -0.000 9.065) 12.057 16.075 ( -11.419 -0.000 12.577) 16.987 16.369 ( -3.871 -0.000 -0.365) 3.888 16.545 ( -3.752 -0.000 -4.344) 5.740 16.578 ( -5.942 -0.000 0.777) 5.993 16.848 ( 7.700 0.000 -7.300) 10.611 17.163 ( -9.343 -0.000 5.707) 10.949 17.190 ( -0.872 -0.000 -0.574) 1.043 17.244 ( 1.188 0.000 0.684) 1.371 17.342 ( 8.088 0.000 -19.381) 21.001 17.580 ( 0.493 0.000 -0.117) 0.507 17.644 ( 0.206 0.000 -14.249) 14.250 17.894 ( -1.058 -0.000 -0.094) 1.062 17.924 ( 6.779 0.000 -25.159) 26.057 18.573 ( -19.221 -0.000 14.384) 24.007 19.522 ( -4.123 -0.000 1.954) 4.563 19.838 ( 14.929 0.000 -2.176) 15.087 20.582 ( 9.952 0.000 -7.681) 12.571 21.005 ( 2.895 0.000 2.631) 3.912 21.173 ( -7.342 -0.000 -1.542) 7.502 21.393 ( 3.816 0.000 7.174) 8.126 21.567 ( 0.507 0.000 2.744) 2.790 21.616 ( 4.946 0.000 1.179) 5.084 21.777 ( -4.028 -0.000 2.969) 5.004 22.272 ( 1.082 0.000 2.398) 2.631 ======================= Grid point 188 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -10.004 -13.663 15.589) 23.017 1.858 ( -12.791 -49.833 6.335) 51.837 2.053 ( -11.273 -3.609 -2.594) 12.118 2.717 ( -3.607 -15.807 -9.657) 18.872 2.775 ( 8.141 -1.981 -15.884) 17.958 2.866 ( 1.365 -19.688 -0.796) 19.752 3.048 ( -8.132 -5.099 11.702) 15.135 3.096 ( 1.446 -7.090 -3.903) 8.221 3.550 ( 10.282 -4.276 8.387) 13.940 3.604 ( -11.227 -1.616 23.300) 25.914 3.897 ( 0.792 0.594 -13.405) 13.442 3.972 ( -13.399 -8.321 17.813) 23.792 4.317 ( -0.302 -0.580 -6.836) 6.867 4.475 ( -4.884 -0.960 -4.567) 6.755 5.009 ( -5.108 2.715 11.206) 12.611 5.069 ( -7.266 -0.787 -1.677) 7.498 5.253 ( 12.168 7.579 5.130) 15.226 5.411 ( 29.619 5.448 8.673) 31.340 5.619 ( 0.231 15.865 0.500) 15.874 5.709 ( -10.090 2.695 -2.366) 10.709 5.895 ( -4.533 14.423 -2.386) 15.306 6.064 ( 5.412 5.932 16.663) 18.497 6.149 ( -4.203 -4.264 -8.400) 10.315 6.207 ( -7.523 -2.554 -3.712) 8.769 6.257 ( 18.912 1.388 6.601) 20.079 6.654 ( -4.120 0.904 0.637) 4.266 6.695 ( -0.906 1.870 -3.732) 4.272 6.783 ( -2.515 4.317 -0.281) 5.004 6.934 ( -6.171 1.804 -0.166) 6.431 7.057 ( -15.266 1.429 -9.874) 18.237 7.131 ( 4.098 1.534 2.775) 5.182 7.185 ( -3.354 3.526 1.841) 5.203 7.281 ( -5.976 -2.050 0.698) 6.356 7.407 ( 7.017 -3.023 1.451) 7.778 7.509 ( 3.225 -1.970 4.220) 5.665 7.668 ( 4.650 3.630 1.116) 6.004 7.860 ( 10.746 -1.127 -6.651) 12.688 8.024 ( 12.421 6.138 3.070) 14.191 8.102 ( 14.663 3.515 -3.132) 15.400 8.233 ( 19.273 -7.517 7.050) 21.855 8.293 ( 15.278 -5.328 -2.056) 16.310 8.687 ( -0.287 1.910 -3.756) 4.223 8.848 ( -15.034 -15.031 -6.783) 22.315 8.884 ( -12.351 -3.181 -8.913) 15.560 9.335 ( 8.456 3.422 4.556) 10.197 9.515 ( -4.947 6.387 0.875) 8.126 9.783 ( -1.701 -10.124 -5.624) 11.705 10.058 ( 3.342 -8.750 -3.639) 10.048 10.333 ( -0.848 -1.046 -4.358) 4.561 10.537 ( 2.006 2.358 -0.962) 3.241 12.275 ( -12.494 0.139 -8.501) 15.112 12.621 ( -7.250 1.857 -2.061) 7.762 13.044 ( -10.397 10.041 2.347) 14.643 13.624 ( 0.925 2.814 -2.541) 3.902 13.825 ( -6.757 -3.814 -0.265) 7.764 14.157 ( 1.190 -5.584 1.924) 6.025 14.250 ( 0.505 -0.430 0.872) 1.096 14.514 ( -2.201 -1.075 14.342) 14.550 14.764 ( 7.532 1.563 5.545) 9.483 14.908 ( 3.483 7.670 5.448) 10.032 14.981 ( -0.725 4.353 1.158) 4.562 15.104 ( -14.021 0.030 -11.267) 17.986 15.284 ( 13.055 -7.410 0.973) 15.043 15.453 ( 8.588 3.776 2.454) 9.697 15.737 ( -9.724 3.875 17.321) 20.238 15.796 ( -3.421 14.321 7.907) 16.713 16.022 ( 1.898 -0.439 8.242) 8.469 16.186 ( -0.080 10.382 -0.914) 10.423 16.363 ( -3.874 21.912 -0.756) 22.265 16.494 ( -7.593 2.435 -0.210) 7.977 16.570 ( -1.671 15.648 -2.654) 15.959 16.919 ( -1.926 4.047 4.210) 6.149 17.233 ( 8.120 0.531 -21.192) 22.700 17.483 ( 1.631 -11.951 -3.276) 12.499 17.506 ( 3.968 -7.379 -10.390) 13.347 17.689 ( 3.473 -10.442 -8.006) 13.609 17.786 ( 4.358 -6.756 -6.140) 10.116 17.827 ( -1.633 1.859 -1.222) 2.760 18.237 ( -6.692 -19.733 -4.998) 21.428 18.475 ( -16.268 -10.670 3.643) 19.793 19.475 ( -3.211 1.611 4.825) 6.015 19.959 ( 9.994 -0.879 1.211) 10.106 20.729 ( 13.948 -4.994 -6.702) 16.260 21.040 ( 1.372 -0.534 -0.322) 1.507 21.118 ( -4.610 -0.474 2.275) 5.163 21.499 ( 1.426 -6.928 0.171) 7.075 21.583 ( -4.070 -2.831 1.409) 5.154 21.661 ( 6.151 1.296 3.397) 7.145 21.738 ( -1.921 -0.209 2.054) 2.821 22.247 ( -0.641 2.576 1.947) 3.293 ======================= Grid point 196 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -8.210 -0.000 21.279) 22.808 1.153 ( -6.948 -0.000 23.673) 24.672 2.007 ( -3.686 -0.000 -3.610) 5.159 2.461 ( -10.913 -0.000 -12.917) 16.910 2.703 ( 8.439 0.000 1.483) 8.568 2.856 ( -0.117 -0.000 0.185) 0.219 2.899 ( -8.218 -0.000 12.204) 14.713 3.027 ( -0.596 -0.000 -6.165) 6.194 3.557 ( 0.193 0.000 4.201) 4.205 3.600 ( 8.623 0.000 8.933) 12.416 3.775 ( -11.975 -0.000 21.425) 24.544 3.930 ( 4.974 0.000 -7.182) 8.736 4.310 ( -0.356 -0.000 -4.399) 4.414 4.437 ( -0.932 -0.000 -8.974) 9.022 4.981 ( -13.825 -0.000 24.278) 27.938 4.989 ( -1.455 -0.000 -19.970) 20.023 5.290 ( -10.371 -0.000 -2.596) 10.691 5.645 ( -8.025 -0.000 -15.110) 17.109 5.800 ( 1.531 0.000 -1.545) 2.175 5.868 ( 20.511 0.000 3.654) 20.834 5.893 ( -7.861 -0.000 -6.261) 10.050 6.058 ( 7.668 0.000 7.554) 10.763 6.100 ( -7.853 -0.000 -4.047) 8.835 6.220 ( 15.416 0.000 28.459) 32.366 6.454 ( 18.388 0.000 10.150) 21.004 6.634 ( 0.083 0.000 2.550) 2.552 6.723 ( 2.304 0.000 -1.988) 3.043 6.828 ( -1.054 -0.000 0.577) 1.201 6.852 ( -24.995 -0.000 -10.283) 27.027 6.893 ( -4.985 -0.000 -0.525) 5.013 7.184 ( 0.979 0.000 3.346) 3.486 7.185 ( -2.314 -0.000 2.166) 3.170 7.320 ( 3.611 0.000 0.495) 3.645 7.362 ( 5.756 0.000 7.755) 9.658 7.560 ( 4.849 0.000 5.686) 7.472 7.774 ( 4.966 0.000 4.038) 6.401 7.913 ( 9.389 0.000 -5.547) 10.905 8.190 ( 26.523 0.000 5.383) 27.064 8.291 ( 1.939 0.000 -5.231) 5.579 8.336 ( 23.647 0.000 -4.085) 23.998 8.421 ( 14.758 0.000 2.593) 14.984 8.472 ( -22.273 -0.000 -11.807) 25.209 8.667 ( -21.105 -0.000 -11.068) 23.831 8.757 ( 1.855 0.000 -6.787) 7.036 9.414 ( -19.880 -0.000 -8.639) 21.676 9.448 ( -4.303 -0.000 -14.480) 15.106 9.725 ( 12.997 0.000 13.043) 18.413 9.909 ( -16.088 -0.000 -8.945) 18.407 10.318 ( 0.650 0.000 -3.812) 3.867 10.567 ( -0.249 -0.000 -1.714) 1.732 12.146 ( -12.985 -0.000 -3.703) 13.503 12.650 ( 10.115 0.000 3.799) 10.805 13.069 ( -5.158 -0.000 8.082) 9.587 13.633 ( -0.125 -0.000 -0.035) 0.130 13.744 ( -0.476 -0.000 1.010) 1.117 14.118 ( 3.716 0.000 0.128) 3.719 14.256 ( 2.085 0.000 -0.359) 2.115 14.494 ( -1.476 -0.000 13.170) 13.252 14.821 ( 5.113 0.000 3.670) 6.293 14.877 ( -21.702 -0.000 -16.373) 27.186 15.006 ( -2.124 -0.000 10.822) 11.028 15.190 ( 5.537 0.000 -6.446) 8.498 15.297 ( 23.620 0.000 12.740) 26.836 15.555 ( 7.174 0.000 6.410) 9.620 15.691 ( -12.916 -0.000 21.403) 24.999 15.879 ( -11.607 -0.000 7.190) 13.654 16.044 ( 7.556 0.000 2.183) 7.865 16.305 ( -2.679 -0.000 -0.912) 2.830 16.444 ( -8.998 -0.000 -1.031) 9.057 16.498 ( -1.804 -0.000 -9.188) 9.364 16.927 ( -1.658 -0.000 3.056) 3.477 17.075 ( 2.189 0.000 -1.333) 2.563 17.181 ( -0.119 -0.000 -0.234) 0.263 17.257 ( 0.175 0.000 0.214) 0.276 17.485 ( 10.190 0.000 -19.397) 21.911 17.588 ( 0.411 0.000 -0.145) 0.435 17.715 ( 8.397 0.000 -12.592) 15.135 17.878 ( -0.647 -0.000 0.095) 0.654 18.005 ( 3.141 0.000 -18.984) 19.242 18.234 ( -18.126 -0.000 5.799) 19.031 19.459 ( -3.431 -0.000 6.743) 7.566 20.033 ( 7.790 0.000 1.299) 7.897 20.799 ( 14.483 0.000 -8.128) 16.608 21.026 ( -3.691 -0.000 -1.201) 3.882 21.088 ( 0.702 0.000 3.625) 3.692 21.385 ( -6.859 -0.000 0.315) 6.866 21.527 ( -2.655 -0.000 -0.318) 2.674 21.708 ( -1.525 -0.000 0.892) 1.766 21.754 ( 5.412 0.000 5.858) 7.975 22.266 ( -2.100 -0.000 0.943) 2.302 ======================= Grid point 197 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 10.302 0.000 22.929) 25.136 1.676 ( -8.327 -0.000 20.452) 22.082 1.937 ( -10.149 -0.000 -19.060) 21.594 2.088 ( 16.703 0.000 -8.821) 18.889 2.808 ( 10.224 0.000 0.673) 10.246 2.858 ( 3.447 0.000 0.131) 3.449 2.905 ( -2.700 -0.000 -1.596) 3.136 3.158 ( 0.404 0.000 -3.848) 3.869 3.386 ( -5.215 -0.000 -2.063) 5.608 3.813 ( 1.183 0.000 2.642) 2.894 3.912 ( -14.546 -0.000 12.186) 18.976 4.089 ( -4.907 -0.000 23.807) 24.308 4.269 ( -0.032 -0.000 0.309) 0.311 4.384 ( 2.815 0.000 -5.443) 6.128 4.592 ( 6.438 0.000 -23.722) 24.580 4.749 ( -2.109 -0.000 -0.723) 2.229 5.315 ( 2.163 0.000 12.222) 12.412 5.403 ( 0.398 0.000 -4.225) 4.244 5.603 ( -4.880 -0.000 -15.552) 16.300 5.693 ( -2.604 -0.000 -1.194) 2.865 5.768 ( -1.547 -0.000 -1.462) 2.129 5.933 ( -2.397 -0.000 -0.880) 2.553 6.199 ( -15.100 -0.000 10.841) 18.589 6.589 ( -0.105 -0.000 4.257) 4.258 6.712 ( 1.025 0.000 -2.253) 2.475 6.813 ( -0.554 -0.000 0.304) 0.632 6.822 ( -1.258 -0.000 -0.444) 1.334 7.040 ( 6.853 0.000 2.764) 7.390 7.117 ( 12.026 0.000 2.360) 12.255 7.191 ( -0.332 -0.000 0.556) 0.647 7.200 ( 24.246 0.000 13.490) 27.746 7.287 ( 12.820 0.000 13.885) 18.899 7.514 ( -3.298 -0.000 -0.162) 3.302 7.529 ( 7.359 0.000 6.355) 9.723 7.665 ( -22.133 -0.000 -15.699) 27.135 7.678 ( 0.837 0.000 1.564) 1.774 7.906 ( -6.793 -0.000 -5.595) 8.801 8.020 ( -2.561 -0.000 -1.011) 2.753 8.072 ( -0.392 -0.000 4.902) 4.917 8.234 ( -5.318 -0.000 -7.167) 8.924 8.321 ( -6.292 -0.000 -6.439) 9.002 8.558 ( 6.758 0.000 0.265) 6.763 8.667 ( -7.711 -0.000 -3.959) 8.668 8.719 ( 6.100 0.000 -0.762) 6.148 8.802 ( -8.228 -0.000 -0.935) 8.281 8.995 ( -6.035 -0.000 -2.118) 6.396 9.430 ( -2.504 -0.000 -5.027) 5.616 10.111 ( 5.990 0.000 4.965) 7.780 10.306 ( 1.565 0.000 -1.599) 2.237 10.465 ( -2.730 -0.000 -2.680) 3.826 12.125 ( 1.931 0.000 -1.007) 2.178 12.862 ( 1.283 0.000 0.945) 1.593 13.265 ( 6.831 0.000 -0.757) 6.872 13.642 ( 0.164 0.000 0.222) 0.276 13.942 ( 10.061 0.000 6.197) 11.816 14.145 ( 0.686 0.000 -1.591) 1.733 14.238 ( -14.146 -0.000 -9.910) 17.272 14.369 ( 6.808 0.000 -1.152) 6.904 14.739 ( -1.907 -0.000 13.765) 13.896 14.928 ( 3.205 0.000 -2.572) 4.110 15.039 ( -3.172 -0.000 -2.172) 3.844 15.142 ( 5.186 0.000 -4.564) 6.908 15.705 ( -3.898 -0.000 1.878) 4.326 15.853 ( 5.103 0.000 8.067) 9.545 15.872 ( 14.948 0.000 6.797) 16.421 16.019 ( -10.193 -0.000 -3.132) 10.663 16.046 ( -11.854 -0.000 22.648) 25.563 16.211 ( -2.960 -0.000 -6.976) 7.577 16.293 ( -1.268 -0.000 -0.852) 1.528 16.309 ( 0.393 0.000 -1.564) 1.612 16.957 ( 7.438 0.000 -10.810) 13.122 17.077 ( -3.698 -0.000 4.953) 6.182 17.183 ( 0.150 0.000 -0.022) 0.151 17.252 ( -0.242 -0.000 -0.019) 0.243 17.292 ( 4.525 0.000 -8.557) 9.679 17.591 ( -0.006 -0.000 -0.039) 0.040 17.620 ( 5.733 0.000 -15.264) 16.305 17.822 ( -8.436 -0.000 1.163) 8.516 17.876 ( 0.096 0.000 0.056) 0.111 18.115 ( 7.054 0.000 0.167) 7.056 19.531 ( -1.178 -0.000 3.332) 3.534 20.126 ( 1.927 0.000 -0.763) 2.073 20.907 ( 3.802 0.000 -1.295) 4.016 20.912 ( -11.162 -0.000 -0.379) 11.169 21.113 ( 2.106 0.000 0.790) 2.250 21.283 ( -1.020 -0.000 3.152) 3.313 21.468 ( -0.141 -0.000 -2.469) 2.473 21.687 ( -0.193 -0.000 1.020) 1.038 21.954 ( 2.344 0.000 3.130) 3.910 22.197 ( -2.607 -0.000 -0.485) 2.652 ======================= Grid point 198 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -9.966 -1.061 18.347) 20.906 1.964 ( 7.200 -21.364 9.040) 24.289 2.220 ( 2.348 -29.251 -13.111) 32.141 2.343 ( 4.173 -23.356 -11.044) 26.170 2.911 ( 6.319 -3.532 -0.314) 7.246 2.959 ( -3.460 -11.886 -1.405) 12.459 3.056 ( 1.466 -14.220 -0.800) 14.318 3.177 ( -4.712 -5.266 -10.915) 13.003 3.476 ( 5.094 -9.111 1.349) 10.525 3.810 ( -4.136 -0.388 7.304) 8.402 3.848 ( -2.823 -2.726 13.761) 14.309 4.144 ( -1.169 -4.473 17.810) 18.400 4.235 ( -7.982 -3.311 6.570) 10.855 4.380 ( 2.430 1.394 -3.366) 4.379 4.660 ( 8.011 0.142 -16.057) 17.945 4.815 ( 12.862 -1.911 -5.217) 14.011 5.322 ( 0.005 1.110 11.868) 11.920 5.418 ( 6.511 2.973 2.301) 7.518 5.523 ( 0.020 11.223 -1.320) 11.301 5.578 ( 0.295 6.599 -10.958) 12.795 5.618 ( -0.658 10.673 -4.434) 11.576 5.770 ( -0.118 15.240 -0.504) 15.249 6.095 ( -11.788 -0.971 21.936) 24.921 6.556 ( -0.977 4.076 4.826) 6.392 6.675 ( -0.418 4.874 -1.646) 5.161 6.747 ( -0.480 4.133 -0.061) 4.161 6.790 ( -1.512 1.712 -0.458) 2.330 6.988 ( -6.102 4.410 -3.354) 8.242 7.081 ( 3.600 7.162 1.116) 8.094 7.223 ( 4.735 0.495 -3.725) 6.045 7.293 ( -11.643 -7.180 -6.004) 14.938 7.407 ( -9.914 -1.771 -4.256) 10.933 7.530 ( -4.093 0.899 -1.483) 4.445 7.533 ( 5.456 3.219 7.159) 9.560 7.619 ( -5.039 -1.824 -7.219) 8.991 7.705 ( 9.194 -4.824 7.730) 12.944 7.857 ( -0.559 4.144 -2.853) 5.062 7.976 ( -1.959 4.352 3.069) 5.675 8.033 ( 5.350 5.950 6.342) 10.210 8.100 ( -1.772 -0.626 -0.113) 1.883 8.345 ( -6.985 -7.926 -1.406) 10.658 8.566 ( -9.644 -3.370 -2.819) 10.597 8.676 ( 0.011 -3.822 -0.192) 3.827 8.876 ( -9.544 -11.815 0.639) 15.202 8.910 ( -8.614 -15.673 -3.411) 18.207 9.025 ( 14.559 -1.556 3.841) 15.138 9.526 ( 16.005 -3.274 -1.520) 16.407 10.143 ( 1.340 -0.455 -0.408) 1.473 10.318 ( 0.805 -0.185 -3.072) 3.181 10.415 ( 0.164 3.756 -0.343) 3.775 12.157 ( 4.107 -0.717 -2.484) 4.853 12.849 ( -4.306 -0.342 -0.641) 4.366 13.213 ( 5.085 11.650 -5.098) 13.695 13.589 ( -0.219 5.869 0.025) 5.874 13.991 ( -6.052 -0.522 -4.468) 7.541 14.125 ( 7.763 0.502 5.073) 9.287 14.194 ( 5.215 -0.964 -2.971) 6.079 14.560 ( 3.184 -9.084 -4.410) 10.588 14.744 ( 1.878 -0.308 10.262) 10.437 14.909 ( -2.272 7.056 3.704) 8.287 14.964 ( 2.698 1.841 -4.464) 5.532 15.147 ( 7.336 3.314 -9.997) 12.835 15.559 ( -3.710 10.569 3.261) 11.666 15.813 ( -10.040 4.227 10.505) 15.133 15.857 ( -5.397 3.336 0.211) 6.348 15.894 ( -9.392 7.090 8.481) 14.505 16.066 ( 7.650 -0.495 6.664) 10.157 16.105 ( -0.280 4.804 1.038) 4.923 16.241 ( 2.294 12.528 0.010) 12.737 16.283 ( 1.718 1.597 -0.833) 2.489 16.521 ( 0.307 24.804 -0.174) 24.807 16.956 ( -6.640 0.177 10.915) 12.778 17.115 ( 8.846 3.568 -23.680) 25.529 17.486 ( -0.069 -17.520 -1.573) 17.591 17.567 ( -11.610 0.339 3.882) 12.246 17.599 ( 12.132 -0.510 -18.577) 22.193 17.716 ( -5.395 -8.481 1.584) 10.176 17.860 ( 0.270 -0.040 -2.905) 2.918 18.042 ( -2.542 -30.975 -0.387) 31.082 18.253 ( 20.994 0.700 -0.223) 21.007 19.528 ( -2.375 -0.983 3.990) 4.746 20.131 ( 1.120 0.681 -2.137) 2.507 20.868 ( -20.589 -12.802 -1.344) 24.282 20.975 ( -0.486 -2.037 3.543) 4.115 21.187 ( -0.739 -4.684 0.952) 4.836 21.364 ( 8.391 -5.393 4.108) 10.788 21.459 ( 0.303 0.234 -3.370) 3.392 21.664 ( 3.392 3.656 1.048) 5.096 21.939 ( -2.461 1.508 0.759) 2.985 22.167 ( 0.061 1.680 1.826) 2.482 ======================= Grid point 199 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -8.629 -3.667 14.963) 17.658 2.217 ( 2.331 -5.183 -13.289) 14.453 2.785 ( 4.149 -23.225 -0.292) 23.594 2.930 ( 3.996 -17.902 -7.138) 19.682 3.108 ( 3.636 -10.382 5.711) 12.394 3.204 ( -2.686 -22.150 -1.538) 22.365 3.374 ( -5.191 -21.654 -2.357) 22.392 3.422 ( -3.047 -28.584 -4.838) 29.150 3.647 ( -12.454 -13.025 -8.659) 19.993 3.812 ( -3.229 -3.046 0.506) 4.468 3.934 ( -4.902 -3.491 2.130) 6.384 4.198 ( 8.922 -8.191 13.726) 18.305 4.382 ( 2.780 0.252 1.462) 3.151 4.468 ( 8.901 -15.551 18.680) 25.885 4.734 ( 12.314 -1.235 -1.240) 12.438 4.989 ( 15.710 -2.045 -6.924) 17.290 5.146 ( 2.033 20.829 2.020) 21.025 5.240 ( -0.769 17.361 2.096) 17.504 5.321 ( 1.768 14.660 5.507) 15.759 5.361 ( 1.508 11.060 3.749) 11.775 5.522 ( 6.546 0.572 6.538) 9.270 5.617 ( 6.034 2.306 -16.810) 18.008 6.046 ( -7.470 -0.995 25.797) 26.875 6.446 ( -6.280 3.148 6.579) 9.625 6.565 ( 1.420 6.312 -0.127) 6.471 6.654 ( 0.718 7.128 -1.565) 7.333 6.699 ( -6.708 5.453 -1.131) 8.719 6.850 ( -7.454 2.412 -6.194) 9.987 6.979 ( 3.790 7.083 2.467) 8.404 7.165 ( 0.348 8.326 -3.307) 8.965 7.271 ( -18.714 -0.168 -8.944) 20.742 7.309 ( -7.634 3.015 -6.894) 10.719 7.432 ( -2.872 3.780 -0.516) 4.776 7.471 ( -3.405 4.813 2.347) 6.346 7.524 ( -15.001 0.036 -13.534) 20.204 7.628 ( -10.272 7.377 -11.120) 16.840 7.709 ( -1.607 4.557 -1.192) 4.977 8.006 ( 7.405 1.160 8.381) 11.244 8.078 ( 11.826 1.697 7.495) 14.104 8.275 ( 6.653 -12.546 7.543) 16.080 8.439 ( -8.604 -8.819 -3.588) 12.832 8.583 ( 1.060 -2.924 1.997) 3.696 8.780 ( 0.478 -7.531 3.436) 8.292 8.954 ( 0.806 -1.788 2.583) 3.243 9.055 ( 0.578 -5.445 1.860) 5.782 9.301 ( -1.829 -15.812 -1.011) 15.949 9.737 ( 13.835 -2.465 -0.773) 14.074 10.187 ( -2.285 -5.121 -4.261) 7.043 10.319 ( 0.056 0.559 -3.816) 3.857 10.353 ( 4.923 3.706 2.880) 6.802 12.219 ( 6.479 -0.841 -3.533) 7.428 12.805 ( -6.823 0.203 -2.715) 7.346 12.946 ( -1.902 15.700 -5.272) 16.670 13.445 ( -0.180 8.411 0.794) 8.450 13.914 ( -3.714 3.645 -4.851) 7.114 14.221 ( 3.981 -1.377 0.964) 4.321 14.276 ( 19.071 4.196 6.120) 20.463 14.631 ( -1.357 0.590 2.586) 2.979 14.747 ( -0.935 4.302 3.985) 5.938 14.821 ( 5.157 -0.929 -1.772) 5.532 14.977 ( 4.051 2.103 -2.985) 5.454 15.164 ( 6.454 0.514 -9.916) 11.842 15.316 ( -1.851 11.454 0.571) 11.617 15.604 ( -9.142 11.245 18.105) 23.190 15.614 ( -11.176 13.438 2.060) 17.599 15.670 ( -15.192 9.869 -0.415) 18.121 15.732 ( 0.738 10.695 1.084) 10.775 16.106 ( 3.186 0.150 5.386) 6.260 16.207 ( -2.176 -2.889 3.984) 5.381 16.304 ( 12.194 1.199 -3.549) 12.757 16.482 ( -0.831 -9.445 -4.486) 10.489 16.850 ( -11.319 2.539 15.244) 19.156 17.119 ( 6.562 2.490 -20.025) 21.220 17.400 ( -7.209 3.123 0.845) 7.902 17.628 ( 6.634 4.225 -12.040) 14.381 17.779 ( 0.103 -6.180 -8.202) 10.270 17.883 ( -1.699 -13.117 0.951) 13.261 18.041 ( 0.534 -18.037 -4.787) 18.669 18.349 ( 16.309 0.208 -0.745) 16.327 18.586 ( 6.461 -17.716 3.990) 19.274 19.519 ( -3.888 -0.483 3.501) 5.254 20.131 ( -0.032 -0.920 -2.190) 2.376 20.969 ( -1.794 0.898 2.530) 3.229 20.975 ( -17.897 -13.970 -3.249) 22.935 21.260 ( -1.315 -4.904 5.867) 7.759 21.415 ( -4.130 -0.621 -1.058) 4.309 21.523 ( 7.427 5.055 1.358) 9.086 21.716 ( 8.214 -7.399 0.915) 11.092 21.876 ( -4.726 1.021 -1.732) 5.136 22.144 ( 1.724 1.786 3.068) 3.947 ======================= Grid point 200 (97/129) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -5.188 -5.976 11.679) 14.108 2.256 ( -1.208 0.537 -16.639) 16.692 2.961 ( 0.273 -1.763 2.256) 2.876 3.208 ( 1.865 -1.977 -8.337) 8.769 3.348 ( -3.729 -10.532 -1.565) 11.282 3.461 ( -2.458 -17.512 12.206) 21.487 3.637 ( -3.081 -4.143 -2.087) 5.569 3.743 ( -9.074 -19.055 -1.407) 21.152 3.805 ( -0.207 -4.927 0.473) 4.954 4.054 ( 1.527 -18.327 0.342) 18.394 4.273 ( -0.503 -20.760 -4.550) 21.259 4.396 ( 0.853 -10.525 -2.547) 10.862 4.452 ( 1.718 -10.147 0.659) 10.312 4.766 ( 4.933 9.494 3.941) 11.402 4.815 ( 5.332 -1.284 5.287) 7.618 4.866 ( 5.315 11.494 2.467) 12.901 4.915 ( 1.294 10.263 1.585) 10.465 5.061 ( 8.141 1.041 -2.418) 8.556 5.165 ( 15.591 -0.461 6.931) 17.069 5.346 ( 2.206 -0.158 11.338) 11.552 5.616 ( 3.006 -4.501 -7.204) 9.011 5.678 ( 12.069 -4.317 5.469) 13.936 5.963 ( -5.298 6.614 22.889) 24.408 6.367 ( -6.335 -0.245 7.370) 9.722 6.419 ( 2.281 11.721 1.547) 12.040 6.506 ( -4.429 6.096 0.274) 7.540 6.557 ( 0.450 5.039 -3.502) 6.153 6.689 ( -4.460 8.600 -2.215) 9.938 6.918 ( 2.297 5.108 1.972) 5.938 6.933 ( 0.966 13.156 2.645) 13.454 6.988 ( -2.377 12.023 -2.499) 12.508 7.190 ( -11.761 0.795 -9.771) 15.311 7.276 ( -12.792 3.066 -10.154) 16.617 7.365 ( -17.039 -1.130 -9.964) 19.771 7.434 ( -4.167 3.197 -10.400) 11.651 7.467 ( -5.569 -0.715 -5.248) 7.685 7.684 ( 1.046 -0.216 -2.675) 2.880 7.974 ( -6.065 1.324 1.543) 6.397 8.161 ( 13.780 2.163 8.811) 16.499 8.465 ( -0.692 -2.346 5.028) 5.592 8.550 ( -3.669 -9.225 -7.508) 12.447 8.684 ( -0.860 -7.740 4.514) 9.001 8.958 ( 10.762 5.134 0.743) 11.947 8.971 ( 11.422 -4.416 10.363) 16.043 9.153 ( -2.676 -6.041 5.884) 8.848 9.481 ( -6.164 -6.732 -4.615) 10.228 9.832 ( 4.013 -0.799 -5.834) 7.126 10.217 ( -0.068 0.535 -0.641) 0.838 10.299 ( -1.091 0.782 -4.707) 4.894 10.428 ( 5.392 -4.739 2.415) 7.574 12.277 ( 5.182 0.955 -4.705) 7.064 12.641 ( -0.068 10.059 0.636) 10.079 12.769 ( -9.097 -0.488 -5.199) 10.490 13.309 ( 0.393 5.416 0.996) 5.521 13.783 ( -2.320 6.703 -3.991) 8.139 14.211 ( 1.656 3.071 0.530) 3.529 14.370 ( 19.661 4.770 8.981) 22.135 14.610 ( -1.324 7.551 2.135) 7.958 14.615 ( -0.604 0.422 2.542) 2.647 14.839 ( 6.148 7.762 4.449) 10.856 14.954 ( -2.880 0.121 -7.008) 7.577 15.173 ( 0.408 -3.708 0.561) 3.772 15.268 ( 8.735 -2.852 -8.635) 12.610 15.357 ( -4.256 3.392 -0.183) 5.446 15.365 ( -10.021 7.207 19.632) 23.190 15.446 ( -13.977 3.427 -1.590) 14.479 15.589 ( 1.249 7.161 -0.299) 7.276 16.132 ( 1.275 -0.449 4.655) 4.847 16.220 ( -6.214 -3.286 3.471) 7.839 16.399 ( 13.681 2.054 -11.173) 17.783 16.641 ( -7.983 -4.698 -7.133) 11.691 16.757 ( -6.072 -5.431 17.850) 19.621 17.134 ( -1.136 -2.462 -3.012) 4.053 17.299 ( 1.494 5.587 -9.820) 11.397 17.591 ( 6.543 4.714 -9.126) 12.179 17.831 ( -2.195 -1.780 -5.812) 6.463 18.108 ( 1.024 -9.448 -5.284) 10.874 18.365 ( -0.022 -12.944 0.291) 12.947 18.492 ( 8.840 -6.537 -1.761) 11.135 18.825 ( 7.576 -0.197 3.836) 8.494 19.481 ( -4.474 0.300 2.447) 5.108 20.185 ( -0.828 -5.183 -0.416) 5.265 20.866 ( -4.162 5.588 -0.578) 6.991 21.088 ( -8.484 -9.255 0.121) 12.556 21.339 ( -5.402 -3.400 -0.598) 6.411 21.404 ( 4.223 -0.461 7.856) 8.931 21.452 ( 5.274 5.893 0.818) 7.950 21.789 ( -6.807 0.051 -6.215) 9.218 21.958 ( 5.444 -6.784 2.112) 8.951 22.132 ( 1.641 1.091 2.691) 3.335 ======================= Grid point 201 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -3.451 -6.501 7.997) 10.869 2.180 ( -0.100 5.737 -13.643) 14.800 2.960 ( -3.510 1.164 11.522) 12.100 3.131 ( -2.829 6.277 -0.139) 6.886 3.410 ( -0.247 -6.180 -6.148) 8.721 3.610 ( 5.992 2.827 -2.397) 7.046 3.852 ( 7.450 5.876 -5.687) 11.062 3.863 ( -5.960 -4.258 -4.130) 8.409 3.978 ( 3.130 -16.808 7.748) 18.771 4.193 ( 1.663 3.404 1.630) 4.124 4.283 ( -6.843 9.017 -1.519) 11.421 4.435 ( -3.079 0.355 -1.482) 3.436 4.629 ( 1.139 -3.340 0.676) 3.593 4.668 ( -0.202 0.153 -0.230) 0.342 4.768 ( 4.638 -10.830 6.079) 13.257 4.897 ( -0.853 7.928 -3.093) 8.553 4.954 ( -0.469 6.125 2.330) 6.570 5.148 ( 0.659 -4.502 2.877) 5.384 5.211 ( -1.849 0.169 5.286) 5.603 5.390 ( -0.928 -1.610 3.406) 3.880 5.522 ( -9.593 20.905 17.588) 28.955 5.855 ( 8.464 -12.651 -11.085) 18.830 6.027 ( 8.857 -12.932 5.715) 16.684 6.306 ( 9.781 2.827 7.300) 12.528 6.377 ( 2.488 -4.438 10.781) 11.921 6.424 ( 1.038 0.122 3.162) 3.330 6.467 ( -0.598 0.023 -2.061) 2.146 6.621 ( 1.366 -1.605 -1.649) 2.676 6.750 ( 6.847 9.710 3.770) 12.465 6.819 ( 2.007 1.964 4.613) 5.401 6.958 ( -2.417 -1.952 -4.615) 5.563 7.007 ( -17.969 4.232 -16.616) 24.837 7.104 ( -7.301 0.344 -4.155) 8.408 7.270 ( -10.227 -3.575 -8.764) 13.935 7.413 ( -1.054 -0.260 -6.137) 6.232 7.443 ( 0.845 0.707 -0.688) 1.299 7.684 ( -0.718 0.827 -1.742) 2.057 7.922 ( -0.394 -0.164 0.132) 0.447 8.222 ( 9.704 2.670 7.454) 12.525 8.452 ( -4.173 0.609 2.451) 4.878 8.634 ( -0.359 -2.370 -5.831) 6.304 8.807 ( 2.729 -1.286 -1.140) 3.225 8.924 ( 0.363 0.082 0.634) 0.735 9.135 ( 9.211 0.505 6.441) 11.251 9.245 ( 2.191 -4.728 9.269) 10.633 9.457 ( -7.648 1.747 -7.068) 10.559 9.843 ( -2.110 0.535 -6.147) 6.521 10.226 ( 2.311 -0.842 -0.684) 2.553 10.272 ( -1.205 0.576 -4.004) 4.221 10.522 ( 2.353 -0.606 -0.465) 2.474 12.248 ( -3.709 1.377 -1.998) 4.432 12.578 ( 7.330 1.288 2.805) 7.954 12.706 ( -7.706 -0.893 -4.388) 8.912 13.270 ( 1.236 -0.466 -0.149) 1.329 13.679 ( -1.788 0.886 -1.339) 2.403 14.190 ( 0.640 -0.296 -0.083) 0.709 14.434 ( 3.517 -1.512 1.572) 4.138 14.533 ( 7.875 1.922 3.086) 8.673 14.649 ( -2.426 -3.699 2.185) 4.934 14.716 ( 0.920 5.993 8.068) 10.093 14.932 ( -4.727 -1.266 -3.330) 5.919 15.151 ( -7.672 5.683 18.634) 20.938 15.248 ( -7.274 5.281 4.225) 9.932 15.291 ( -1.397 -0.460 1.601) 2.174 15.381 ( 3.994 -8.095 -1.898) 9.224 15.454 ( 8.375 0.159 -14.429) 16.684 15.520 ( 3.003 -4.434 -2.862) 6.072 16.146 ( -1.090 -0.730 4.259) 4.456 16.232 ( -7.110 -3.863 3.593) 8.853 16.426 ( 7.655 4.535 -10.653) 13.880 16.604 ( -0.267 0.519 -4.208) 4.248 16.835 ( -6.564 -4.111 15.119) 16.987 17.180 ( -1.345 1.780 -2.670) 3.480 17.219 ( 4.295 0.119 -9.204) 10.158 17.562 ( 7.068 4.611 -8.338) 11.864 17.803 ( -5.319 0.975 -1.052) 5.508 18.210 ( 2.935 0.582 -6.834) 7.460 18.468 ( -2.672 -1.727 0.960) 3.323 18.697 ( 2.332 6.422 0.455) 6.848 18.795 ( -1.816 -7.941 -1.528) 8.288 19.452 ( -0.287 0.448 2.793) 2.843 20.249 ( 0.322 0.783 1.532) 1.750 20.762 ( -0.142 0.785 0.051) 0.799 21.163 ( -2.336 -2.806 1.509) 3.951 21.281 ( 2.085 4.718 -1.025) 5.259 21.413 ( -2.280 -1.060 0.826) 2.646 21.522 ( 7.474 -3.329 8.973) 12.143 21.713 ( -6.846 1.433 -8.572) 11.064 22.050 ( 0.107 0.227 2.856) 2.867 22.145 ( 1.644 -1.070 -0.508) 2.026 ======================= Grid point 202 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -4.403 -4.958 4.400) 7.958 2.052 ( 4.705 9.391 -6.388) 12.294 2.843 ( -3.039 6.627 10.918) 13.128 3.066 ( -0.342 0.397 4.795) 4.823 3.451 ( 1.654 12.734 -10.177) 16.385 3.545 ( 8.499 12.827 2.662) 15.616 3.678 ( 4.114 6.512 -4.270) 8.807 3.812 ( 0.506 4.500 -0.168) 4.531 3.886 ( 6.438 18.703 -12.064) 23.169 4.059 ( -1.883 19.586 2.215) 19.801 4.187 ( 0.790 23.401 1.905) 23.492 4.307 ( -5.190 13.729 6.941) 16.235 4.463 ( -3.234 4.590 -1.136) 5.729 4.775 ( -5.332 -9.160 5.119) 11.770 4.830 ( -3.023 -15.806 0.964) 16.121 4.865 ( -8.599 6.802 12.545) 16.661 4.946 ( -7.678 -4.861 -3.178) 9.627 4.968 ( -4.024 -9.286 -2.217) 10.360 5.203 ( -7.421 -5.141 4.919) 10.281 5.323 ( -1.593 -0.544 11.032) 11.160 5.494 ( -3.458 -4.313 -3.614) 6.604 5.924 ( -3.376 4.468 -11.104) 12.437 6.328 ( -1.481 -7.216 -10.931) 13.182 6.408 ( 12.771 -1.764 6.279) 14.340 6.465 ( 6.854 0.226 1.327) 6.984 6.512 ( -0.687 -7.199 1.599) 7.406 6.585 ( -4.338 -0.917 -9.350) 10.349 6.656 ( 3.036 -10.405 3.953) 11.537 6.760 ( 17.019 0.380 17.164) 24.174 6.906 ( 2.524 -9.283 2.726) 9.999 6.942 ( -2.036 -2.861 1.405) 3.782 7.023 ( -1.987 -12.278 -3.097) 12.817 7.135 ( 6.201 -3.774 2.288) 7.612 7.303 ( -0.948 -6.453 -2.750) 7.078 7.397 ( -0.942 0.820 -4.227) 4.408 7.452 ( 1.454 -0.769 -1.195) 2.033 7.656 ( 0.719 0.751 -0.574) 1.188 7.985 ( 8.318 -2.015 0.286) 8.564 8.233 ( 5.031 3.213 6.383) 8.739 8.387 ( -6.959 1.142 -0.098) 7.053 8.623 ( 4.457 5.638 -6.490) 9.684 8.758 ( 7.002 7.940 -3.492) 11.147 8.980 ( -15.113 -9.959 -1.494) 18.160 9.081 ( -1.383 8.155 -0.533) 8.288 9.301 ( -2.438 7.416 -7.500) 10.825 9.374 ( 4.572 -2.074 7.240) 8.811 9.783 ( -4.376 1.896 -2.959) 5.613 10.239 ( 0.532 1.639 -3.200) 3.634 10.286 ( 0.303 -2.331 -2.723) 3.597 10.486 ( -0.984 4.307 -3.673) 5.746 12.200 ( -7.167 -1.047 2.704) 7.731 12.666 ( 9.400 -1.580 3.917) 10.305 12.688 ( -3.928 -4.129 -2.592) 6.261 13.339 ( 0.937 -5.708 -2.093) 6.152 13.729 ( -0.436 -6.100 1.635) 6.331 14.221 ( -1.965 -2.418 -0.481) 3.152 14.489 ( -9.961 -1.649 -2.115) 10.316 14.592 ( 2.449 -6.603 2.451) 7.457 14.680 ( -1.994 -1.741 -3.314) 4.241 14.762 ( 4.949 -6.799 10.954) 13.809 14.927 ( -2.662 -2.320 -1.311) 3.767 15.001 ( -7.315 4.180 15.274) 17.443 15.095 ( -3.206 1.848 6.323) 7.326 15.346 ( 4.713 -4.348 1.566) 6.601 15.479 ( 10.122 0.942 -8.612) 13.323 15.591 ( 2.888 -10.347 -2.070) 10.941 15.720 ( 4.126 -8.590 -7.454) 12.099 16.139 ( -3.040 -0.150 4.805) 5.688 16.235 ( -7.623 -3.049 4.033) 9.148 16.394 ( 2.556 2.601 -3.341) 4.945 16.586 ( 5.416 5.649 -8.791) 11.770 16.814 ( -4.029 0.701 12.921) 13.553 17.082 ( 5.605 6.142 -12.431) 14.956 17.322 ( -1.903 -6.664 6.132) 9.254 17.538 ( 8.895 4.501 -12.368) 15.886 17.723 ( -6.634 1.367 3.485) 7.617 18.137 ( 3.230 9.350 -5.926) 11.532 18.373 ( 0.664 15.675 -1.000) 15.721 18.459 ( -12.347 3.367 2.454) 13.031 18.909 ( -9.207 -1.979 -4.922) 10.626 19.468 ( 4.456 -0.411 3.613) 5.752 20.159 ( 2.209 7.321 2.280) 7.979 20.845 ( 5.377 -4.643 1.620) 7.286 21.105 ( 1.938 7.156 -1.376) 7.540 21.266 ( 8.263 3.427 4.260) 9.908 21.449 ( -7.051 -6.941 1.030) 9.948 21.590 ( -4.448 2.259 -7.730) 9.200 21.670 ( 7.056 -1.688 4.959) 8.788 21.976 ( -3.604 5.920 0.435) 6.944 22.173 ( -0.679 -1.342 -1.418) 2.067 ======================= Grid point 203 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -7.187 -2.165 11.409) 13.657 1.934 ( 11.552 9.236 -6.192) 16.034 2.719 ( -2.117 6.333 5.704) 8.782 2.941 ( -1.726 28.870 -9.471) 30.433 3.059 ( 0.401 21.549 7.013) 22.665 3.142 ( -1.081 35.610 5.201) 36.004 3.329 ( 5.520 17.876 2.529) 18.879 3.452 ( 1.245 28.533 -3.985) 28.837 3.672 ( 6.638 8.407 -7.471) 13.059 3.791 ( 4.580 2.079 2.892) 5.802 4.008 ( 6.145 0.185 -2.307) 6.566 4.190 ( -4.242 -1.021 14.492) 15.134 4.351 ( -6.949 2.932 1.918) 7.783 4.580 ( -10.710 11.567 12.795) 20.303 4.765 ( -5.151 7.545 -13.629) 16.408 5.017 ( -20.242 -6.267 -2.929) 21.391 5.161 ( -2.783 -16.003 1.437) 16.307 5.252 ( -2.030 -20.432 -0.877) 20.551 5.316 ( -2.506 -9.763 0.883) 10.118 5.404 ( -2.254 -17.554 -1.326) 17.748 5.472 ( -6.446 -0.407 -2.343) 6.871 5.757 ( -8.451 1.777 -14.604) 16.967 6.400 ( -6.674 -3.971 -9.549) 12.308 6.530 ( 5.012 -0.790 1.470) 5.283 6.575 ( -4.870 -5.080 -1.797) 7.263 6.616 ( 13.359 -5.291 5.898) 15.532 6.664 ( 8.037 -2.870 2.027) 8.771 6.761 ( 1.383 -2.580 1.307) 3.206 6.878 ( 18.792 3.077 22.279) 29.308 7.041 ( -1.417 -6.816 -1.264) 7.075 7.051 ( 13.043 1.882 11.377) 17.410 7.179 ( 4.035 -3.107 2.302) 5.589 7.308 ( 2.294 -0.635 4.027) 4.678 7.472 ( 8.409 -1.704 0.717) 8.610 7.497 ( 4.348 -11.874 -4.455) 13.407 7.545 ( 2.012 -11.850 -0.665) 12.038 7.717 ( 2.588 -8.581 -0.462) 8.974 8.088 ( 9.574 1.242 0.184) 9.656 8.200 ( -1.212 2.139 3.465) 4.249 8.292 ( -12.250 -0.141 -5.727) 13.524 8.508 ( 7.125 11.037 -8.533) 15.665 8.653 ( -3.603 5.347 -4.256) 7.726 8.848 ( -3.857 10.396 -3.157) 11.529 9.003 ( -6.416 -0.167 0.218) 6.422 9.104 ( -1.752 9.790 -4.265) 10.821 9.381 ( -2.249 4.391 -8.470) 9.802 9.733 ( -6.151 -0.830 0.405) 6.221 10.146 ( -1.670 8.751 -2.732) 9.319 10.298 ( 0.252 0.769 -1.844) 2.014 10.429 ( -3.642 -2.500 -4.128) 6.046 12.156 ( -5.096 0.017 3.039) 5.933 12.733 ( 9.844 0.405 4.579) 10.864 12.864 ( 0.768 -12.552 3.024) 12.934 13.475 ( -0.060 -7.651 -2.399) 8.018 13.838 ( 1.062 -3.729 3.020) 4.914 14.201 ( -3.536 1.956 0.624) 4.089 14.402 ( -13.353 -1.138 -1.175) 13.453 14.623 ( -2.149 2.933 -2.770) 4.570 14.760 ( 0.868 -5.685 1.586) 5.966 14.873 ( 2.826 -1.125 1.768) 3.518 14.886 ( -6.590 0.115 11.981) 13.675 14.983 ( -0.620 -3.638 -1.750) 4.085 15.274 ( 3.715 -15.851 4.015) 16.768 15.566 ( 11.206 -6.074 1.785) 12.871 15.623 ( 9.300 -12.737 0.402) 15.776 15.781 ( -1.486 -10.199 -1.762) 10.456 15.902 ( 3.255 -8.991 -3.684) 10.247 16.115 ( -4.153 -1.515 4.939) 6.628 16.219 ( -8.716 -2.833 7.108) 11.598 16.369 ( -2.986 0.111 -2.897) 4.162 16.457 ( 1.178 8.280 -2.707) 8.791 16.813 ( 4.006 -0.696 -4.971) 6.422 17.087 ( 3.961 -1.645 -0.791) 4.361 17.388 ( -0.758 -1.309 3.655) 3.956 17.570 ( 12.424 1.634 -14.604) 19.243 17.665 ( -4.382 -0.297 4.411) 6.224 17.942 ( 1.328 12.412 -3.653) 13.006 18.002 ( 2.241 21.768 -0.626) 21.892 18.323 ( -18.918 -0.896 2.911) 19.161 18.661 ( -8.433 18.724 -4.177) 20.955 19.524 ( 2.927 -0.894 2.747) 4.112 20.090 ( 2.914 2.327 2.187) 4.323 20.938 ( 14.367 7.276 0.747) 16.122 21.004 ( 0.169 1.384 -1.448) 2.010 21.258 ( 6.180 4.537 4.395) 8.837 21.486 ( -3.548 2.323 -6.364) 7.648 21.529 ( -7.088 -5.498 0.254) 8.974 21.740 ( -0.868 5.558 -0.580) 5.655 21.820 ( 1.387 1.037 3.021) 3.482 22.190 ( -2.615 -2.171 -1.309) 3.642 ======================= Grid point 204 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -6.371 2.852 23.036) 24.071 1.884 ( 2.606 14.372 -2.492) 14.818 2.078 ( 12.243 33.802 4.296) 36.207 2.348 ( -5.656 28.177 -12.811) 31.465 2.754 ( 8.579 3.802 5.990) 11.133 2.949 ( 4.471 13.093 0.111) 13.836 3.048 ( -0.453 12.321 -0.830) 12.358 3.178 ( 0.797 3.829 0.766) 3.985 3.514 ( -4.858 7.142 -6.074) 10.559 3.802 ( 4.228 1.390 3.340) 5.564 4.029 ( -8.091 0.294 8.213) 11.533 4.185 ( -3.642 2.036 16.341) 16.865 4.271 ( -0.290 2.724 6.540) 7.090 4.348 ( -1.330 1.789 -3.504) 4.153 4.615 ( 0.396 4.944 -19.903) 20.511 4.840 ( -19.386 -0.601 -6.765) 20.541 5.292 ( 0.364 -1.150 6.964) 7.067 5.413 ( -4.207 -0.862 -2.873) 5.167 5.553 ( -2.158 -14.196 -3.437) 14.765 5.611 ( -0.137 -14.300 -2.408) 14.502 5.681 ( -7.008 -3.061 -10.689) 13.143 5.795 ( -2.761 -16.719 -2.514) 17.131 6.330 ( -15.361 -0.592 -2.050) 15.509 6.574 ( -0.581 -2.108 3.829) 4.409 6.662 ( 1.749 -4.043 -1.353) 4.609 6.741 ( 4.654 -3.531 2.133) 6.218 6.801 ( 1.474 -1.435 -1.526) 2.561 6.877 ( 14.548 -4.904 8.423) 17.512 6.988 ( 23.205 7.360 16.215) 29.250 7.096 ( 18.289 4.177 15.161) 24.120 7.120 ( -3.846 -5.209 -1.011) 6.554 7.270 ( 1.735 -0.256 6.374) 6.611 7.377 ( 11.043 -2.681 7.705) 13.730 7.532 ( 8.032 2.379 -1.485) 8.508 7.619 ( 4.283 -1.650 -2.594) 5.272 7.818 ( 2.637 -10.586 4.237) 11.703 7.932 ( -10.955 -5.990 -8.984) 15.382 8.068 ( 5.677 6.143 3.083) 8.915 8.084 ( -14.623 0.594 -8.106) 16.730 8.207 ( -16.023 -6.771 -9.185) 19.671 8.397 ( 6.007 6.136 -8.444) 12.044 8.540 ( 4.268 4.496 -0.696) 6.238 8.696 ( 7.076 7.191 -0.564) 10.105 8.823 ( 9.377 15.931 3.237) 18.767 8.988 ( -13.093 -0.301 -7.184) 14.938 9.173 ( -12.965 9.350 -13.024) 20.619 9.576 ( -20.562 3.500 -6.279) 21.782 10.052 ( 6.910 1.631 7.384) 10.244 10.295 ( 1.584 0.397 -0.740) 1.793 10.461 ( -3.754 -3.312 -3.858) 6.320 12.125 ( -0.807 0.477 1.059) 1.414 12.817 ( 8.594 0.010 2.561) 8.967 13.115 ( 3.259 -10.684 5.200) 12.321 13.595 ( -0.313 -5.034 -0.685) 5.090 13.875 ( 6.986 1.919 5.673) 9.202 14.145 ( 0.284 1.385 -0.686) 1.572 14.301 ( -13.228 -1.380 -6.069) 14.620 14.505 ( -1.496 8.277 -2.394) 8.746 14.770 ( -3.457 1.455 14.111) 14.601 14.897 ( 4.052 0.415 -1.461) 4.328 14.993 ( -5.862 -12.003 4.837) 14.207 15.038 ( 5.005 -1.535 -9.766) 11.081 15.579 ( 3.002 -12.258 1.015) 12.661 15.729 ( 16.339 -0.239 6.078) 17.435 15.799 ( 2.237 -2.109 6.125) 6.854 16.028 ( -1.726 -6.795 6.212) 9.367 16.107 ( -4.801 -5.352 4.499) 8.482 16.150 ( -6.263 -5.927 1.045) 8.686 16.263 ( -4.633 -8.654 -0.558) 9.832 16.318 ( -5.885 -0.217 -2.031) 6.229 16.524 ( -0.638 -25.909 0.637) 25.924 16.885 ( 8.488 -1.243 -14.823) 17.127 17.139 ( -3.787 -2.145 8.707) 9.734 17.412 ( 8.201 1.614 -11.489) 14.208 17.480 ( 0.971 17.944 -0.636) 17.982 17.634 ( 3.120 6.102 -3.059) 7.505 17.773 ( 8.732 0.971 -5.048) 10.133 17.818 ( -0.794 -0.835 1.789) 2.127 18.062 ( -1.945 28.096 -1.818) 28.222 18.224 ( -18.748 4.577 2.581) 19.471 19.541 ( 0.420 0.459 2.546) 2.621 20.102 ( 2.556 -0.250 0.914) 2.726 20.880 ( 14.604 8.517 -2.563) 17.100 21.014 ( -0.232 0.866 -0.491) 1.023 21.192 ( 1.370 6.889 0.723) 7.061 21.377 ( -10.736 4.685 1.696) 11.836 21.476 ( -1.708 1.379 -4.240) 4.775 21.668 ( -3.533 -3.131 0.330) 4.732 21.900 ( 5.763 -1.635 4.351) 7.404 22.204 ( -3.382 -2.005 -1.455) 4.192 ======================= Grid point 206 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -13.304 -0.000 18.095) 22.459 1.794 ( 13.734 0.000 15.031) 20.360 1.811 ( 0.836 0.000 -11.962) 11.991 2.237 ( 1.439 0.000 -18.240) 18.296 2.757 ( -9.482 -0.000 -2.285) 9.753 2.940 ( 1.202 0.000 -0.438) 1.280 2.968 ( 8.643 0.000 -10.811) 13.841 3.058 ( -7.752 -0.000 -8.242) 11.315 3.475 ( 6.446 0.000 -4.434) 7.824 3.773 ( -5.932 -0.000 0.231) 5.936 3.853 ( 10.197 0.000 25.678) 27.629 4.111 ( 5.856 0.000 22.589) 23.336 4.140 ( -7.105 -0.000 7.148) 10.078 4.414 ( 2.160 0.000 -0.031) 2.160 4.746 ( 12.586 0.000 -25.092) 28.071 4.908 ( 12.928 0.000 1.751) 13.046 5.320 ( -2.284 -0.000 9.727) 9.992 5.508 ( 5.223 0.000 9.804) 11.109 5.636 ( 10.432 0.000 -21.406) 23.813 5.655 ( -2.888 -0.000 2.734) 3.977 5.724 ( -2.567 -0.000 2.115) 3.326 5.932 ( 2.652 0.000 3.601) 4.473 6.033 ( -0.403 -0.000 31.852) 31.855 6.622 ( 2.230 0.000 2.877) 3.640 6.716 ( -0.264 -0.000 -3.277) 3.288 6.788 ( -4.048 -0.000 0.190) 4.052 6.813 ( -0.425 -0.000 1.005) 1.091 6.852 ( -39.116 -0.000 -19.247) 43.594 6.989 ( -5.905 -0.000 -5.681) 8.194 7.191 ( 0.499 0.000 -1.000) 1.117 7.286 ( 7.246 0.000 -0.604) 7.271 7.292 ( -13.653 -0.000 0.790) 13.676 7.461 ( -12.986 -0.000 -6.205) 14.392 7.474 ( -18.584 -0.000 -17.471) 25.507 7.587 ( -4.654 -0.000 2.884) 5.475 7.863 ( -8.086 -0.000 2.974) 8.616 7.882 ( 32.394 0.000 17.649) 36.890 7.951 ( 3.791 0.000 5.454) 6.642 8.082 ( -5.107 -0.000 -2.869) 5.857 8.173 ( -9.529 -0.000 4.387) 10.491 8.238 ( 11.746 0.000 8.389) 14.434 8.479 ( 0.827 0.000 -0.512) 0.973 8.553 ( -14.405 -0.000 -5.732) 15.504 8.650 ( -7.530 -0.000 -6.176) 9.739 8.738 ( 2.296 0.000 12.196) 12.410 9.198 ( 19.125 0.000 3.037) 19.364 9.656 ( 19.711 0.000 0.200) 19.712 10.129 ( -3.997 -0.000 -6.108) 7.299 10.319 ( 0.176 0.000 -4.263) 4.267 10.467 ( 2.803 0.000 2.338) 3.650 12.195 ( 6.823 0.000 -3.088) 7.489 12.787 ( -8.398 -0.000 -2.775) 8.844 13.395 ( 7.505 0.000 -8.050) 11.006 13.647 ( 0.487 0.000 -0.123) 0.502 13.894 ( -9.931 -0.000 -7.298) 12.324 14.114 ( -2.621 -0.000 -1.671) 3.108 14.321 ( 18.145 0.000 11.294) 21.372 14.491 ( 4.426 0.000 -4.789) 6.521 14.775 ( 5.004 0.000 4.531) 6.751 14.964 ( 1.074 0.000 -3.077) 3.259 15.006 ( 1.539 0.000 -6.837) 7.008 15.246 ( 4.955 0.000 -3.756) 6.218 15.606 ( -7.752 -0.000 9.251) 12.070 15.689 ( -20.839 -0.000 -7.549) 22.165 15.809 ( -10.798 -0.000 22.142) 24.635 15.980 ( 2.244 0.000 0.011) 2.244 16.102 ( 3.984 0.000 0.982) 4.103 16.177 ( 0.360 0.000 -2.692) 2.716 16.339 ( 7.211 0.000 2.894) 7.770 16.380 ( 7.768 0.000 -1.400) 7.893 16.874 ( -7.851 -0.000 9.224) 12.113 17.180 ( -0.416 -0.000 -0.201) 0.463 17.237 ( 5.965 0.000 -27.340) 27.983 17.255 ( 0.466 0.000 0.313) 0.562 17.312 ( 5.175 0.000 3.225) 6.097 17.530 ( -14.840 -0.000 4.083) 15.392 17.584 ( -0.678 -0.000 -0.004) 0.678 17.733 ( 8.338 0.000 -22.231) 23.743 17.884 ( 0.789 0.000 -0.132) 0.800 18.459 ( 22.030 0.000 0.335) 22.033 19.489 ( -4.115 -0.000 5.133) 6.579 20.127 ( -4.346 -0.000 -4.823) 6.492 20.515 ( -21.930 -0.000 5.253) 22.551 20.950 ( -0.824 -0.000 5.011) 5.078 21.157 ( 1.054 0.000 0.152) 1.065 21.373 ( 4.594 0.000 4.384) 6.350 21.471 ( 3.295 0.000 -2.939) 4.416 21.739 ( 5.336 0.000 1.120) 5.453 21.915 ( -6.143 -0.000 -1.207) 6.260 22.191 ( 1.175 0.000 3.769) 3.948 ======================= Grid point 207 (103/129) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -10.840 -2.298 17.930) 21.077 2.118 ( 7.674 -9.136 1.269) 11.999 2.275 ( 5.634 -42.052 -9.754) 43.535 2.355 ( 1.041 -21.029 -7.873) 22.479 2.841 ( -8.347 -17.654 -0.618) 19.537 3.002 ( 1.851 -1.767 -11.436) 11.718 3.047 ( -3.128 -6.598 -4.598) 8.629 3.072 ( -0.141 -7.125 3.893) 8.121 3.513 ( 0.568 -0.515 -11.550) 11.575 3.729 ( -7.654 -2.067 -0.559) 7.948 3.908 ( 0.242 1.189 3.857) 4.044 4.186 ( 10.115 -2.613 17.440) 20.330 4.326 ( 15.439 -10.678 23.162) 29.814 4.425 ( 4.224 0.156 2.829) 5.086 4.831 ( 12.441 1.120 -12.734) 17.837 5.076 ( 16.945 -4.108 1.355) 17.488 5.302 ( -2.574 0.601 11.817) 12.109 5.467 ( -4.699 7.703 5.702) 10.674 5.554 ( 0.871 5.086 3.363) 6.159 5.577 ( -1.601 10.655 4.267) 11.589 5.704 ( 9.625 4.867 -13.478) 17.262 5.808 ( 5.346 14.998 0.738) 15.939 6.089 ( 12.961 3.677 31.628) 34.377 6.429 ( -22.844 4.466 -7.128) 24.343 6.624 ( -3.326 1.159 -0.018) 3.522 6.683 ( -14.414 1.976 -5.527) 15.563 6.748 ( 0.544 0.651 -3.492) 3.594 6.807 ( -7.002 0.653 -2.769) 7.558 6.980 ( -3.986 -3.432 -4.197) 6.729 7.148 ( -0.726 4.280 -2.026) 4.790 7.217 ( -11.651 3.579 -9.762) 15.616 7.249 ( -13.801 -5.291 -4.291) 15.391 7.334 ( -11.078 -0.297 -1.621) 11.199 7.389 ( -5.564 -1.610 -7.972) 9.855 7.503 ( -4.790 3.173 1.228) 5.875 7.781 ( -2.684 6.222 -0.991) 6.848 7.873 ( 0.835 8.969 6.802) 11.288 7.961 ( -10.883 0.057 -4.877) 11.926 8.114 ( -11.252 -4.187 2.108) 12.190 8.158 ( 7.333 -2.135 5.962) 9.689 8.351 ( 15.897 1.036 8.162) 17.900 8.566 ( 7.890 -4.368 2.499) 9.358 8.596 ( 0.447 -10.995 2.037) 11.191 8.740 ( -9.341 -14.347 -3.825) 17.542 8.854 ( 1.756 -10.666 12.877) 16.812 9.338 ( 19.278 2.978 3.377) 19.797 9.824 ( 13.147 -0.842 -0.924) 13.207 10.091 ( -5.152 -2.012 -7.905) 9.648 10.318 ( -0.201 -0.066 -4.748) 4.752 10.463 ( 3.237 3.091 2.694) 5.224 12.275 ( 9.954 -0.689 -3.252) 10.494 12.715 ( -9.500 -0.971 -4.207) 10.435 13.253 ( 1.124 16.747 -7.251) 18.284 13.590 ( 0.200 6.390 0.162) 6.395 13.900 ( -0.973 -3.836 -4.002) 5.628 14.157 ( -0.925 -5.699 -1.502) 5.965 14.483 ( 20.461 0.454 11.674) 23.561 14.585 ( 1.072 -5.313 1.152) 5.541 14.842 ( 4.805 -2.389 -2.254) 5.820 14.897 ( 2.001 7.144 -1.606) 7.591 15.021 ( 5.866 1.983 -11.265) 12.854 15.237 ( 2.262 2.869 -4.754) 5.995 15.440 ( -14.659 6.070 1.138) 15.907 15.522 ( -15.127 0.952 3.437) 15.542 15.665 ( -10.622 7.078 20.547) 24.189 15.874 ( -1.044 9.763 -5.389) 11.201 16.102 ( -2.887 4.971 -3.310) 6.633 16.136 ( 2.371 5.681 4.529) 7.642 16.290 ( 3.572 16.215 0.830) 16.625 16.418 ( 10.851 0.443 2.681) 11.186 16.534 ( 1.153 20.317 -0.636) 20.359 16.823 ( -6.963 3.660 9.226) 12.125 17.193 ( -4.003 4.456 -12.115) 13.516 17.410 ( -0.346 -3.130 -5.533) 6.367 17.483 ( 0.668 -13.745 -6.513) 15.225 17.661 ( -1.375 -8.317 -0.564) 8.449 17.781 ( 7.008 2.407 -14.341) 16.142 17.894 ( 5.226 -4.187 -6.831) 9.566 18.028 ( 1.663 -32.471 3.710) 32.724 18.630 ( 19.459 0.336 2.780) 19.659 19.465 ( -5.237 -1.222 5.177) 7.465 20.084 ( -9.761 -2.876 -6.382) 12.012 20.504 ( -14.745 -13.140 3.417) 20.044 20.958 ( -1.045 -1.019 4.953) 5.164 21.187 ( 0.413 -2.341 1.839) 3.006 21.393 ( -1.689 -0.139 3.140) 3.568 21.569 ( 7.681 -5.288 -0.427) 9.335 21.754 ( 5.259 3.227 0.071) 6.171 21.844 ( -6.274 0.921 -1.912) 6.624 22.189 ( 1.097 1.369 4.381) 4.720 ======================= Grid point 208 (104/129) ======================= q-point: ( 0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -6.405 -6.077 15.643) 17.962 2.213 ( -0.827 -2.895 -14.743) 15.048 2.861 ( 5.118 -24.712 4.033) 25.557 3.001 ( 1.289 -2.292 -3.432) 4.324 3.140 ( -1.707 -11.938 2.088) 12.239 3.177 ( 1.596 -24.763 3.500) 25.060 3.286 ( -3.490 -20.174 -2.503) 20.626 3.398 ( 3.054 -45.989 -8.816) 46.925 3.480 ( -5.307 -0.223 -2.188) 5.745 3.719 ( -6.401 -4.556 0.197) 7.859 3.942 ( 8.577 -2.936 -10.104) 13.575 4.297 ( -0.669 -1.773 9.165) 9.359 4.437 ( 4.292 -1.041 4.542) 6.336 4.688 ( 10.216 -8.860 9.311) 16.419 4.968 ( 10.665 -2.588 6.037) 12.525 5.139 ( -5.140 11.200 -0.031) 12.323 5.208 ( 4.616 17.850 1.638) 18.510 5.337 ( 12.118 -0.919 3.138) 12.551 5.399 ( 12.588 5.598 10.082) 17.071 5.417 ( 6.325 21.362 5.725) 23.003 5.578 ( 1.103 -3.165 5.026) 6.041 5.742 ( 5.463 2.860 -9.393) 11.237 6.084 ( 6.381 5.687 23.332) 24.848 6.237 ( -17.345 -2.221 -0.794) 17.505 6.467 ( -18.290 2.035 -9.484) 20.703 6.628 ( 4.730 2.533 4.793) 7.194 6.669 ( 1.228 8.610 -2.351) 9.010 6.739 ( -4.321 2.091 -2.514) 5.419 6.926 ( -15.134 -0.935 -7.511) 16.921 7.008 ( -2.501 7.292 2.214) 8.021 7.093 ( -12.868 0.578 -16.180) 20.681 7.165 ( -2.006 3.351 -1.972) 4.375 7.286 ( -5.017 1.047 2.436) 5.675 7.323 ( -3.202 7.603 -1.585) 8.401 7.439 ( -2.359 0.078 -1.376) 2.733 7.559 ( -0.421 11.616 -1.669) 11.743 7.741 ( 2.072 4.058 -2.851) 5.375 7.896 ( -11.089 -2.465 0.427) 11.367 8.108 ( -14.807 -6.968 -0.824) 16.385 8.256 ( -7.653 -10.193 -2.471) 12.983 8.453 ( 11.222 0.567 5.387) 12.460 8.650 ( 3.391 0.126 3.171) 4.644 8.878 ( -0.351 -13.543 -1.197) 13.600 8.947 ( 5.170 -9.934 15.273) 18.938 9.118 ( 5.972 -10.184 1.643) 11.919 9.424 ( 13.838 3.370 2.716) 14.499 9.865 ( 1.489 1.576 -7.431) 7.741 10.149 ( -1.107 -5.512 -2.867) 6.311 10.311 ( -0.296 0.574 -4.035) 4.087 10.437 ( 2.826 1.233 1.260) 3.331 12.374 ( 10.812 0.384 -3.929) 11.511 12.661 ( -7.608 -1.468 -3.549) 8.523 12.910 ( -0.071 18.006 -2.661) 18.202 13.440 ( -0.860 8.516 0.320) 8.565 13.908 ( 2.595 4.403 -2.569) 5.720 14.235 ( -0.674 -1.674 0.578) 1.895 14.617 ( 10.629 2.236 8.806) 13.983 14.695 ( 9.378 -0.763 6.367) 11.361 14.767 ( 5.548 10.304 -2.555) 11.978 14.895 ( 3.810 2.792 -11.714) 12.630 15.028 ( 1.505 -1.330 -1.386) 2.440 15.167 ( -8.521 4.497 -3.217) 10.158 15.276 ( -1.443 -1.067 -3.121) 3.600 15.384 ( -10.167 2.112 8.356) 13.328 15.399 ( -10.401 8.598 12.676) 18.515 15.564 ( -2.081 25.016 -0.935) 25.119 15.734 ( -1.528 9.706 1.718) 9.975 16.089 ( -7.164 -0.987 -1.199) 7.330 16.203 ( 3.754 2.218 5.919) 7.352 16.457 ( -0.393 -5.752 -6.310) 8.547 16.525 ( 11.500 -0.389 -4.930) 12.519 16.704 ( -6.044 3.150 11.457) 13.331 17.079 ( -6.447 1.503 1.462) 6.779 17.423 ( 6.665 3.104 -17.709) 19.174 17.704 ( 3.063 0.543 -6.041) 6.795 17.754 ( -2.583 -4.076 -3.865) 6.183 17.875 ( 0.055 -15.491 -2.036) 15.624 18.046 ( 0.454 -9.295 -9.603) 13.373 18.553 ( 9.869 -14.206 4.457) 17.862 18.819 ( 16.711 -4.583 3.797) 17.740 19.433 ( -6.225 -0.289 3.881) 7.341 20.058 ( -9.726 -4.239 -5.864) 12.123 20.672 ( -13.333 -15.986 -0.452) 20.821 20.954 ( 0.218 1.193 3.719) 3.912 21.240 ( -1.857 -2.580 0.073) 3.180 21.396 ( 1.793 -1.710 7.742) 8.128 21.676 ( 9.245 4.875 1.205) 10.520 21.716 ( -7.170 -0.368 -5.311) 8.930 21.859 ( 2.515 -6.358 0.553) 6.860 22.166 ( 0.087 1.684 3.770) 4.130 ======================= Grid point 209 (105/129) ======================= q-point: ( 0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -3.274 -7.249 12.154) 14.525 2.231 ( 0.149 0.035 -14.248) 14.248 2.968 ( 0.771 0.025 4.417) 4.484 3.240 ( 3.233 -1.071 -4.906) 5.973 3.299 ( 1.362 0.365 0.739) 1.592 3.496 ( 2.772 -24.254 7.020) 25.401 3.571 ( -5.974 -18.838 -0.537) 19.770 3.666 ( 0.392 -10.563 -1.337) 10.655 3.791 ( -2.830 -16.076 1.968) 16.442 4.098 ( 4.872 -3.217 -6.550) 8.775 4.232 ( -4.814 -9.197 2.577) 10.696 4.394 ( -0.857 -9.716 -1.155) 9.822 4.498 ( 3.708 -18.339 -0.683) 18.723 4.845 ( 2.820 8.168 1.345) 8.745 4.883 ( 1.395 11.140 -0.223) 11.229 4.923 ( 4.355 -6.826 11.440) 14.015 4.997 ( 7.087 17.204 3.680) 18.966 5.187 ( 5.553 1.122 1.450) 5.847 5.346 ( 5.138 12.835 -1.741) 13.935 5.409 ( 2.643 5.317 4.027) 7.175 5.662 ( 1.729 -2.747 -0.135) 3.249 5.704 ( -4.425 4.088 3.410) 6.923 6.127 ( 9.579 1.001 14.216) 17.171 6.179 ( -15.241 -6.432 -1.384) 16.600 6.336 ( -9.274 -2.142 -4.614) 10.578 6.539 ( 4.381 6.342 -0.078) 7.708 6.574 ( 6.932 5.275 8.061) 11.868 6.626 ( -2.972 3.745 -1.236) 4.938 6.830 ( -16.722 -3.301 -8.542) 19.065 6.896 ( -8.860 8.682 -9.245) 15.471 6.913 ( -1.492 2.316 1.778) 3.278 6.992 ( -0.725 14.160 0.576) 14.190 7.133 ( 2.509 2.818 1.175) 3.952 7.262 ( 6.065 2.559 4.044) 7.725 7.432 ( 2.434 0.799 -1.464) 2.950 7.482 ( 4.553 0.958 -4.323) 6.351 7.713 ( 0.510 2.083 -2.087) 2.993 7.882 ( -2.310 -3.608 0.878) 4.373 8.104 ( -17.017 -7.193 -3.311) 18.769 8.395 ( -13.650 -14.031 -4.113) 20.003 8.530 ( 8.035 0.488 4.727) 9.335 8.643 ( -1.367 1.222 0.789) 1.996 9.034 ( -11.644 -8.884 -6.936) 16.206 9.161 ( 8.476 -4.431 13.469) 16.519 9.276 ( 17.696 4.386 3.757) 18.614 9.454 ( 3.117 0.580 -1.850) 3.671 9.846 ( 0.125 0.958 -5.340) 5.427 10.202 ( -1.874 -1.702 -1.858) 3.140 10.286 ( -0.084 1.299 -3.439) 3.677 10.491 ( 1.142 -3.765 -1.386) 4.172 12.392 ( 8.659 8.450 -1.999) 12.262 12.590 ( -9.203 1.963 -5.251) 10.776 12.711 ( 6.728 3.212 3.953) 8.439 13.300 ( -1.871 4.363 -0.635) 4.789 13.794 ( 3.595 9.082 -1.214) 9.843 14.219 ( -0.433 1.839 0.645) 1.996 14.548 ( 0.431 10.219 0.110) 10.229 14.558 ( -7.831 6.939 -3.477) 11.026 14.746 ( 5.895 3.793 4.159) 8.151 14.851 ( 3.080 4.703 -0.429) 5.638 14.962 ( 7.260 7.372 3.507) 10.924 15.154 ( -6.216 -1.150 14.942) 16.225 15.208 ( -2.455 -2.837 5.651) 6.783 15.276 ( -4.447 3.512 2.194) 6.076 15.318 ( -3.291 -0.072 3.088) 4.514 15.412 ( 5.347 -5.929 -8.408) 11.595 15.570 ( -1.063 5.735 -7.734) 9.686 16.053 ( -9.987 -3.324 -0.090) 10.526 16.193 ( 1.842 1.941 5.148) 5.802 16.566 ( 3.575 3.787 -1.508) 5.422 16.609 ( 5.553 -3.972 -10.913) 12.873 16.691 ( -0.039 -6.540 8.956) 11.090 17.040 ( -5.991 -3.656 7.161) 10.027 17.387 ( 4.912 5.823 -17.296) 18.899 17.690 ( 4.716 3.183 -3.333) 6.594 17.762 ( -4.321 -0.732 -4.814) 6.511 18.087 ( -2.187 -6.237 -9.056) 11.212 18.292 ( -5.203 -19.419 -0.414) 20.109 18.709 ( 12.696 5.819 1.408) 14.037 18.997 ( 11.088 3.928 4.892) 12.740 19.396 ( -5.283 -2.823 2.024) 6.322 20.111 ( -7.725 -10.088 -2.495) 12.948 20.778 ( -5.729 -2.817 -1.756) 6.622 20.981 ( -2.762 -7.106 4.275) 8.740 21.222 ( -4.215 0.658 -1.655) 4.575 21.511 ( 6.227 -4.860 9.739) 12.539 21.634 ( 10.690 7.323 0.556) 12.970 21.653 ( -6.569 0.137 -6.043) 8.926 22.003 ( -0.266 -5.461 0.865) 5.536 22.136 ( -1.552 0.584 1.347) 2.136 ======================= Grid point 210 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -2.778 -5.853 8.143) 10.406 2.212 ( 4.045 3.204 -12.010) 13.072 2.978 ( 4.603 3.271 9.072) 10.686 3.106 ( 0.126 6.797 2.544) 7.259 3.479 ( 7.827 -6.625 -2.747) 10.616 3.728 ( -1.752 -6.746 -4.167) 8.120 3.782 ( 6.056 -0.132 -1.195) 6.174 3.896 ( -3.700 2.784 3.513) 5.812 4.007 ( -5.457 -11.399 3.124) 13.018 4.181 ( 0.752 -4.046 -2.521) 4.826 4.229 ( 3.220 -6.831 1.305) 7.664 4.337 ( -7.586 -0.137 3.263) 8.259 4.638 ( 0.109 8.945 -1.269) 9.035 4.686 ( 1.280 3.576 0.147) 3.801 4.800 ( -2.393 11.717 -2.749) 12.271 4.860 ( -2.147 12.594 -0.415) 12.782 4.977 ( 3.639 6.204 3.757) 8.115 5.155 ( -0.815 -1.227 2.303) 2.734 5.187 ( -0.651 10.634 3.756) 11.297 5.356 ( 0.332 7.835 11.279) 13.737 5.434 ( -4.656 6.953 7.523) 11.253 5.988 ( 7.319 -19.650 -7.602) 22.304 6.032 ( -8.021 -0.218 -10.454) 13.179 6.229 ( -8.058 -11.301 -1.716) 13.985 6.342 ( -8.561 -6.268 -0.845) 10.644 6.457 ( -8.778 1.951 -10.581) 13.886 6.530 ( 5.957 0.277 1.167) 6.077 6.620 ( 0.328 2.775 3.284) 4.312 6.765 ( -9.900 -6.488 -6.257) 13.389 6.800 ( 0.871 0.010 3.234) 3.349 6.896 ( 0.149 -2.045 2.733) 3.417 6.952 ( 17.064 -3.477 17.967) 25.022 7.181 ( 9.824 -1.349 5.549) 11.363 7.290 ( 6.839 1.348 0.059) 6.970 7.477 ( 11.967 0.940 3.587) 12.529 7.483 ( 2.273 3.247 -4.133) 5.727 7.695 ( 4.203 0.346 -0.226) 4.224 7.988 ( 6.287 -4.718 0.159) 7.863 8.070 ( -17.633 -5.541 -5.041) 19.158 8.507 ( -9.279 -7.098 0.866) 11.715 8.570 ( 2.680 1.868 5.345) 6.264 8.601 ( -9.654 -4.505 -8.863) 13.858 8.997 ( -13.927 -0.108 -9.271) 16.731 9.196 ( 10.641 10.896 0.309) 15.233 9.330 ( 3.082 -2.533 2.140) 4.527 9.487 ( 9.442 2.420 4.493) 10.733 9.801 ( -2.078 3.331 -1.380) 4.161 10.210 ( -3.241 -2.253 -4.821) 6.231 10.275 ( 1.766 0.520 -1.514) 2.383 10.527 ( -2.011 0.614 -4.118) 4.624 12.252 ( 3.601 9.085 3.459) 10.366 12.551 ( -4.910 -4.064 -4.641) 7.884 12.766 ( 8.906 0.405 4.164) 9.840 13.260 ( -2.186 -2.024 -2.102) 3.646 13.712 ( 5.563 2.642 2.101) 6.506 14.181 ( -1.861 0.874 -1.945) 2.831 14.353 ( -16.932 1.583 -7.376) 18.537 14.447 ( -1.059 -1.696 -0.433) 2.046 14.732 ( -0.422 -1.717 6.903) 7.126 14.803 ( 9.676 8.029 1.291) 12.639 14.954 ( 6.527 1.694 4.680) 8.208 15.037 ( -5.241 4.664 15.378) 16.903 15.151 ( -5.354 7.008 7.297) 11.447 15.295 ( 0.999 -4.743 2.123) 5.292 15.413 ( 0.014 -9.632 0.400) 9.641 15.476 ( -3.696 -4.446 -4.761) 7.490 15.659 ( 13.763 -4.850 -15.517) 21.301 16.037 ( -11.869 -4.877 1.024) 12.873 16.164 ( -0.612 1.885 4.216) 4.659 16.494 ( 0.364 4.836 6.720) 8.287 16.702 ( 8.992 0.480 -10.502) 13.834 16.800 ( 3.495 -1.874 4.527) 6.019 17.142 ( -3.677 -10.252 6.199) 12.532 17.268 ( 1.832 8.828 -14.826) 17.352 17.654 ( -2.630 2.095 8.611) 9.244 17.729 ( 3.961 2.868 -15.807) 16.546 18.120 ( -9.566 -3.893 -6.600) 12.257 18.491 ( 2.858 5.881 1.163) 6.641 18.682 ( -1.639 -4.946 -1.958) 5.566 18.841 ( 4.389 16.653 0.999) 17.251 19.458 ( 0.634 -4.285 3.054) 5.300 20.218 ( -3.261 -3.193 0.741) 4.623 20.790 ( 3.154 -3.088 0.373) 4.430 21.114 ( -9.614 -10.441 0.768) 14.214 21.178 ( 1.467 1.334 3.084) 3.667 21.558 ( -6.609 0.643 -7.277) 9.851 21.597 ( 13.266 7.810 1.298) 15.448 21.688 ( 7.423 -3.612 7.225) 10.971 22.007 ( -5.298 2.137 2.015) 6.057 22.137 ( -2.311 -1.688 -3.043) 4.178 ======================= Grid point 211 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -3.648 -3.186 7.337) 8.791 2.177 ( 8.263 5.822 -10.620) 14.662 2.878 ( 4.930 9.839 8.857) 14.126 3.079 ( 1.529 -0.493 1.708) 2.345 3.429 ( -2.791 18.154 -5.389) 19.142 3.693 ( 3.546 18.246 2.983) 18.825 3.738 ( 3.121 8.464 -1.061) 9.083 3.801 ( -1.402 -1.562 0.815) 2.251 3.951 ( 1.823 13.149 2.492) 13.507 4.064 ( -1.685 14.586 3.658) 15.131 4.203 ( 3.836 18.411 -8.299) 20.556 4.263 ( -0.176 13.361 8.547) 15.861 4.420 ( 1.960 11.609 1.155) 11.830 4.694 ( -5.421 -4.507 2.401) 7.448 4.728 ( -7.291 4.866 6.834) 11.115 4.781 ( -2.429 -11.680 2.556) 12.200 4.848 ( -2.565 -8.456 -0.240) 8.840 4.930 ( -0.299 -1.563 -2.328) 2.820 5.060 ( -7.644 0.965 -2.839) 8.211 5.321 ( 0.603 -0.578 8.384) 8.425 5.417 ( -3.555 -0.716 0.865) 3.728 5.746 ( -10.522 7.046 -20.539) 24.129 6.277 ( -4.405 -3.752 -2.599) 6.343 6.387 ( -3.165 -8.309 1.841) 9.080 6.498 ( -1.500 -7.497 -2.921) 8.185 6.561 ( -2.248 -1.467 0.792) 2.798 6.633 ( 1.449 -12.008 -1.417) 12.178 6.678 ( 4.787 -10.721 5.796) 13.093 6.827 ( -2.036 -10.292 1.025) 10.541 6.946 ( -1.142 -8.261 -4.349) 9.406 7.042 ( 3.302 -18.309 1.405) 18.657 7.160 ( 17.297 -0.120 16.586) 23.964 7.314 ( 1.970 -2.375 2.464) 3.949 7.352 ( 11.981 -2.395 5.676) 13.472 7.442 ( 3.228 -0.253 2.540) 4.115 7.596 ( 19.463 2.439 5.863) 20.473 7.753 ( 10.027 1.177 -1.305) 10.180 7.986 ( -19.766 -4.095 -8.226) 21.798 8.123 ( 3.111 -1.747 -3.600) 5.068 8.430 ( -3.892 7.213 5.321) 9.772 8.550 ( -5.506 -1.701 -8.013) 9.870 8.643 ( -8.241 -5.705 -2.915) 10.438 8.843 ( -12.108 2.099 -6.138) 13.736 9.036 ( 2.481 10.744 -4.013) 11.734 9.357 ( 7.628 5.906 -2.901) 10.074 9.501 ( 7.158 4.977 5.725) 10.429 9.690 ( -7.407 3.647 -1.447) 8.382 10.225 ( -1.372 -0.826 -3.208) 3.586 10.288 ( 1.334 -0.306 -1.181) 1.808 10.421 ( -5.306 5.790 -6.018) 9.895 12.163 ( 1.418 3.065 2.581) 4.251 12.655 ( 0.807 -9.588 0.250) 9.625 12.829 ( 7.057 0.462 3.131) 7.734 13.328 ( -1.564 -6.696 -2.398) 7.282 13.788 ( 7.251 -3.757 4.275) 9.218 14.138 ( -11.606 -2.573 -5.312) 13.021 14.240 ( -8.211 -0.850 -4.366) 9.338 14.612 ( 1.051 -14.568 -0.421) 14.612 14.728 ( 1.386 3.278 0.154) 3.563 14.781 ( 1.175 0.085 10.095) 10.163 14.868 ( -7.000 5.243 8.692) 12.331 15.003 ( 6.991 1.614 -3.444) 7.959 15.094 ( 2.251 -5.143 7.584) 9.436 15.416 ( 2.504 -6.883 1.462) 7.469 15.567 ( -0.935 -7.271 -5.185) 8.979 15.599 ( -1.655 -10.250 5.999) 11.991 15.854 ( 13.483 -3.500 -9.825) 17.046 16.019 ( -12.968 -4.647 1.096) 13.819 16.121 ( -2.186 1.435 4.542) 5.241 16.398 ( -3.323 4.299 8.216) 9.850 16.693 ( 6.251 10.264 2.503) 12.276 16.855 ( 7.785 -0.436 -14.480) 16.446 17.090 ( -6.750 2.782 1.285) 7.413 17.342 ( 6.320 -6.172 -2.949) 9.313 17.591 ( -7.667 -0.691 10.476) 13.000 17.729 ( 11.991 3.792 -18.714) 22.548 18.085 ( -10.503 -2.708 -2.809) 11.204 18.249 ( -1.412 15.514 -0.233) 15.580 18.464 ( 2.555 22.979 -0.016) 23.120 18.780 ( -4.918 -0.053 -2.857) 5.688 19.531 ( 2.105 -1.744 3.580) 4.505 20.168 ( -0.352 4.430 1.314) 4.634 20.928 ( 3.714 -5.448 0.871) 6.651 21.134 ( 0.711 0.761 2.241) 2.471 21.269 ( -2.671 -8.066 4.153) 9.457 21.475 ( -6.244 1.312 -7.305) 9.699 21.562 ( 13.688 8.704 1.598) 16.300 21.811 ( 6.640 -1.523 4.480) 8.153 21.852 ( -10.211 6.498 -0.866) 12.134 22.136 ( -2.963 -1.099 -2.404) 3.971 ======================= Grid point 212 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -6.438 -0.094 12.683) 14.223 2.128 ( 9.303 7.599 -9.620) 15.390 2.722 ( 2.210 15.311 -0.667) 15.484 2.912 ( -0.404 32.754 -8.127) 33.749 3.068 ( 0.262 8.115 6.884) 10.644 3.202 ( 3.965 26.356 2.846) 26.804 3.415 ( 3.922 22.347 1.546) 22.741 3.441 ( -2.237 25.047 -2.994) 25.325 3.764 ( 5.603 22.905 3.243) 23.803 3.838 ( -0.129 0.010 2.002) 2.006 3.971 ( -10.471 3.232 11.456) 15.853 4.205 ( 0.195 1.054 1.263) 1.657 4.346 ( 2.092 1.755 -2.886) 3.973 4.431 ( -3.958 12.453 11.174) 17.193 4.610 ( -6.111 -2.515 -3.066) 7.285 4.817 ( 3.162 6.296 -11.081) 13.131 5.130 ( -0.596 -20.270 0.507) 20.285 5.249 ( -0.140 -22.416 0.583) 22.424 5.291 ( 0.340 -13.124 3.232) 13.520 5.354 ( -1.638 -4.804 3.139) 5.968 5.439 ( 1.365 -7.868 -0.251) 7.989 5.624 ( -4.403 0.198 -16.794) 17.363 6.217 ( -11.817 0.851 9.281) 15.050 6.516 ( -3.203 -2.602 5.083) 6.547 6.552 ( 0.331 -7.656 -1.052) 7.735 6.655 ( -0.715 -6.282 -0.631) 6.353 6.756 ( -1.235 -3.695 -0.430) 3.919 6.869 ( 8.786 -6.640 5.262) 12.205 6.972 ( -5.465 -4.590 -4.803) 8.602 7.126 ( 4.690 -6.963 -1.232) 8.485 7.292 ( 10.053 -1.076 7.092) 12.350 7.369 ( 11.269 -2.487 8.571) 14.374 7.418 ( 5.038 -4.328 8.155) 10.518 7.489 ( -4.165 -13.226 -2.620) 14.112 7.620 ( 10.218 -4.837 0.458) 11.315 7.713 ( 13.544 0.313 6.420) 14.992 7.822 ( 8.683 -0.569 -0.272) 8.706 7.887 ( -16.958 -4.988 -7.245) 19.104 7.992 ( -19.444 5.251 -12.924) 23.931 8.255 ( -3.356 7.813 1.153) 8.581 8.502 ( 0.616 5.366 -0.736) 5.451 8.683 ( 3.402 -0.243 -3.566) 4.935 8.729 ( -9.271 1.471 -3.292) 9.947 8.900 ( -0.375 1.860 -1.643) 2.510 9.196 ( 0.965 15.448 0.503) 15.486 9.388 ( -2.514 14.382 -3.368) 14.984 9.529 ( -3.907 4.895 -3.798) 7.325 10.163 ( 3.950 5.802 3.834) 7.997 10.311 ( 0.849 -0.519 -2.133) 2.354 10.350 ( -3.887 -3.737 -4.978) 7.338 12.147 ( 2.409 1.046 -0.611) 2.696 12.863 ( 1.020 -0.800 1.742) 2.172 12.917 ( 5.476 -13.573 0.377) 14.641 13.458 ( -1.266 -8.158 -1.223) 8.346 13.941 ( 9.636 -3.225 5.201) 11.415 14.095 ( -10.173 -3.318 -4.778) 11.719 14.201 ( -1.213 0.657 -4.016) 4.247 14.682 ( 2.376 6.343 -0.513) 6.793 14.749 ( -2.486 -6.072 6.516) 9.247 14.773 ( -2.923 0.711 10.518) 10.939 14.911 ( 3.071 -6.166 -1.816) 7.124 15.050 ( 6.623 -0.967 -9.820) 11.884 15.320 ( 1.201 -14.186 3.355) 14.627 15.656 ( 0.924 -17.360 2.268) 17.532 15.730 ( -1.471 -12.780 -0.753) 12.886 15.755 ( -2.612 -9.570 9.830) 13.966 15.957 ( -10.826 -3.183 -1.867) 11.438 16.033 ( 6.789 -2.606 0.900) 7.327 16.090 ( -0.436 0.333 7.970) 7.989 16.299 ( -4.418 2.112 4.049) 6.355 16.481 ( 1.201 10.954 -1.826) 11.170 16.951 ( 10.740 -0.773 -19.516) 22.289 17.037 ( -8.818 -2.912 11.470) 14.758 17.480 ( 9.099 -2.515 -10.466) 14.094 17.568 ( -7.258 -2.905 4.800) 9.174 17.753 ( 6.165 4.327 -11.281) 13.565 17.962 ( -4.901 11.481 0.324) 12.488 18.032 ( 0.792 20.981 -2.438) 21.137 18.094 ( 4.321 -0.703 -0.043) 4.379 18.565 ( -2.616 19.484 -0.681) 19.671 19.553 ( -0.214 0.348 3.476) 3.500 20.117 ( 1.067 0.968 -0.013) 1.441 20.995 ( -0.935 -0.698 1.221) 1.688 21.110 ( 3.357 5.312 1.267) 6.410 21.350 ( -5.879 -0.359 3.272) 6.738 21.418 ( 3.106 4.037 -3.289) 6.063 21.497 ( 2.012 7.970 0.186) 8.222 21.606 ( -5.240 2.579 -2.589) 6.389 21.902 ( 2.819 -2.094 3.122) 4.699 22.139 ( -2.083 -1.921 -0.477) 2.874 ======================= Grid point 215 (109/129) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -7.226 -0.000 17.117) 18.580 1.815 ( 4.675 0.000 -14.032) 14.791 2.140 ( 19.872 0.000 16.790) 26.016 2.193 ( -2.193 -0.000 -18.248) 18.379 2.565 ( -12.027 -0.000 -1.479) 12.118 2.920 ( -2.963 -0.000 -1.535) 3.337 3.000 ( 2.598 0.000 2.733) 3.771 3.063 ( 1.056 0.000 -7.336) 7.412 3.546 ( 6.348 0.000 -13.784) 15.176 3.615 ( -11.894 -0.000 -1.790) 12.028 3.936 ( 2.862 0.000 -1.400) 3.186 4.316 ( 7.839 0.000 19.664) 21.169 4.326 ( 16.852 0.000 20.747) 26.728 4.483 ( 10.721 0.000 2.217) 10.948 4.967 ( 14.310 0.000 -24.650) 28.503 5.156 ( 11.225 0.000 20.186) 23.097 5.293 ( 0.144 0.000 18.101) 18.101 5.454 ( -4.285 -0.000 11.317) 12.101 5.534 ( -10.709 -0.000 8.345) 13.576 5.751 ( 5.054 0.000 2.845) 5.800 5.814 ( 9.384 0.000 -21.327) 23.300 6.039 ( 8.814 0.000 6.327) 10.850 6.142 ( -33.376 -0.000 -16.408) 37.191 6.357 ( 23.549 0.000 25.373) 34.617 6.500 ( -22.459 -0.000 -10.863) 24.949 6.633 ( -1.777 -0.000 -0.016) 1.777 6.752 ( 0.663 0.000 -0.732) 0.988 6.800 ( -1.028 -0.000 0.737) 1.265 6.954 ( -20.984 -0.000 5.251) 21.631 6.999 ( 5.578 0.000 -0.397) 5.592 7.022 ( -20.978 -0.000 -16.011) 26.390 7.249 ( 0.275 0.000 2.451) 2.467 7.281 ( -6.826 -0.000 -3.208) 7.542 7.406 ( 5.972 0.000 -3.208) 6.779 7.498 ( -4.903 -0.000 1.607) 5.160 7.765 ( -9.025 -0.000 -0.168) 9.027 7.904 ( -8.567 -0.000 -5.455) 10.156 7.906 ( -14.056 -0.000 -7.530) 15.946 7.979 ( -4.598 -0.000 6.805) 8.213 8.292 ( -11.102 -0.000 -3.091) 11.524 8.376 ( 1.049 0.000 -2.862) 3.048 8.442 ( 7.245 0.000 1.140) 7.334 8.576 ( 19.017 0.000 11.705) 22.330 8.603 ( 6.234 0.000 2.146) 6.593 8.809 ( 3.010 0.000 20.555) 20.774 9.538 ( 18.732 0.000 3.140) 18.994 9.921 ( 9.489 0.000 -2.342) 9.774 10.006 ( -8.111 -0.000 -11.126) 13.769 10.314 ( -0.023 -0.000 -4.637) 4.637 10.510 ( 0.576 0.000 1.564) 1.667 12.358 ( 10.268 0.000 -4.216) 11.100 12.626 ( -7.068 -0.000 -2.738) 7.579 13.506 ( 5.695 0.000 -7.448) 9.376 13.652 ( -0.266 -0.000 -1.100) 1.131 13.792 ( 0.064 0.000 -1.284) 1.286 14.091 ( 0.200 0.000 0.390) 0.438 14.517 ( -0.105 -0.000 -0.412) 0.426 14.686 ( 21.767 0.000 13.350) 25.535 14.839 ( 1.478 0.000 3.206) 3.531 14.967 ( -0.216 -0.000 -0.360) 0.420 15.118 ( 11.889 0.000 -23.274) 26.134 15.264 ( -2.828 -0.000 4.358) 5.195 15.285 ( -24.619 -0.000 -9.033) 26.224 15.444 ( -11.299 -0.000 17.089) 20.486 15.670 ( -6.995 -0.000 11.190) 13.197 15.973 ( -1.990 -0.000 -10.385) 10.574 16.063 ( -6.388 -0.000 -5.371) 8.345 16.225 ( 4.223 0.000 3.567) 5.528 16.503 ( 9.166 0.000 4.640) 10.273 16.550 ( 10.254 0.000 -0.886) 10.292 16.788 ( -1.567 -0.000 0.788) 1.754 17.124 ( -8.198 -0.000 -4.511) 9.357 17.174 ( -0.039 -0.000 0.119) 0.125 17.261 ( 0.001 0.000 -0.037) 0.037 17.332 ( -6.707 -0.000 7.308) 9.920 17.552 ( 10.602 0.000 -18.523) 21.343 17.572 ( -0.636 -0.000 0.188) 0.663 17.895 ( 13.845 0.000 -23.955) 27.668 17.900 ( 0.902 0.000 -0.308) 0.953 18.747 ( 7.785 0.000 10.942) 13.429 19.397 ( -6.483 -0.000 5.226) 8.327 19.871 ( -18.220 -0.000 -5.216) 18.952 20.364 ( 0.100 0.000 2.796) 2.798 20.940 ( -0.324 -0.000 6.190) 6.198 21.177 ( 1.579 0.000 1.371) 2.091 21.379 ( -1.111 -0.000 4.357) 4.497 21.564 ( 3.914 0.000 -1.689) 4.263 21.774 ( -7.361 -0.000 -3.664) 8.222 21.856 ( 5.874 0.000 1.105) 5.977 22.210 ( 0.178 0.000 4.848) 4.851 ======================= Grid point 216 (110/129) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -0.926 -2.666 14.272) 14.548 2.151 ( -0.686 -3.347 -14.750) 15.141 2.366 ( 5.306 -41.867 -7.754) 42.909 2.512 ( 13.776 -18.937 9.145) 25.140 2.686 ( -8.203 -22.183 1.700) 23.712 2.964 ( -3.968 -6.294 -2.905) 7.987 3.062 ( -1.913 -4.647 4.121) 6.499 3.105 ( 11.054 -3.781 -3.509) 12.199 3.503 ( -6.940 0.796 -3.414) 7.775 3.606 ( -0.056 -0.956 -4.288) 4.394 3.994 ( 9.605 -1.564 -7.669) 12.390 4.306 ( 0.245 2.570 13.306) 13.554 4.487 ( 8.482 0.924 6.673) 10.832 4.651 ( 11.352 -6.442 10.089) 16.498 5.027 ( 3.741 1.908 2.029) 4.664 5.162 ( -9.663 0.455 -4.927) 10.856 5.371 ( 3.773 -0.165 6.498) 7.516 5.462 ( 5.128 0.605 13.449) 14.407 5.523 ( 8.435 -4.950 15.264) 18.129 5.658 ( 8.512 12.394 3.638) 15.469 5.822 ( -6.318 -0.040 -9.729) 11.600 5.906 ( 3.372 13.014 -1.125) 13.490 5.991 ( 0.784 6.883 -4.441) 8.229 6.281 ( -24.721 0.077 -13.553) 28.192 6.358 ( 4.018 9.525 10.784) 14.938 6.659 ( -6.898 0.777 -5.505) 8.859 6.742 ( -1.793 1.370 1.203) 2.558 6.778 ( -2.457 -0.404 0.630) 2.568 6.869 ( 2.909 5.123 1.604) 6.105 6.930 ( -14.370 -11.243 -0.776) 18.262 7.053 ( 2.159 0.866 -0.790) 2.457 7.184 ( 1.152 2.737 0.730) 3.058 7.262 ( 0.770 0.613 4.718) 4.819 7.389 ( -2.031 2.005 -1.765) 3.356 7.451 ( 2.256 3.149 -1.194) 4.053 7.692 ( -14.813 -3.748 0.060) 15.279 7.781 ( -5.953 7.065 -0.192) 9.241 7.785 ( -9.654 2.731 -4.207) 10.880 7.921 ( -3.150 -0.401 -3.354) 4.618 8.131 ( -7.024 0.964 -1.470) 7.241 8.387 ( -15.947 -9.301 -13.019) 22.591 8.652 ( -1.092 -3.247 -3.261) 4.729 8.728 ( 13.609 0.521 13.133) 18.920 8.811 ( 14.065 -14.536 10.629) 22.850 8.947 ( 7.979 -10.773 16.640) 21.369 9.646 ( 13.096 4.196 1.383) 13.821 9.899 ( -1.353 2.309 -9.132) 9.516 10.042 ( 1.091 -4.945 -5.431) 7.425 10.314 ( 0.226 0.020 -3.877) 3.884 10.478 ( -2.340 2.188 -0.110) 3.206 12.421 ( 0.730 -1.261 -8.013) 8.144 12.618 ( 4.642 -0.580 2.459) 5.285 13.289 ( 4.326 19.350 -3.094) 20.068 13.587 ( -0.769 7.138 -0.676) 7.211 13.937 ( 4.704 -5.064 -0.365) 6.921 14.149 ( 0.319 -5.242 0.025) 5.252 14.600 ( 0.594 -7.416 1.382) 7.567 14.805 ( 5.724 3.436 5.681) 8.766 14.893 ( 11.545 0.259 7.506) 13.773 14.955 ( 2.719 0.351 0.243) 2.752 15.042 ( -19.604 2.477 -7.004) 20.964 15.210 ( 10.611 1.174 -19.471) 22.205 15.230 ( -2.012 0.681 3.308) 3.931 15.326 ( -10.986 1.952 16.155) 19.634 15.522 ( -7.841 9.818 4.588) 13.377 15.848 ( -1.258 8.307 -4.627) 9.592 15.995 ( -8.638 1.324 -6.859) 11.109 16.168 ( 0.988 18.501 2.108) 18.647 16.369 ( 4.656 18.676 1.345) 19.295 16.554 ( 1.459 15.303 0.410) 15.378 16.590 ( 7.609 -0.596 1.701) 7.819 16.760 ( -0.499 7.065 0.655) 7.113 17.082 ( -5.026 3.821 1.241) 6.434 17.417 ( -0.480 -15.362 -2.471) 15.567 17.515 ( 2.660 -3.135 -15.277) 15.820 17.639 ( -1.399 -6.526 0.502) 6.693 17.809 ( -0.843 -2.868 -5.341) 6.120 17.954 ( 0.616 -6.227 -6.437) 8.977 18.201 ( 17.462 -23.856 -6.017) 30.170 18.864 ( 5.214 -7.606 11.522) 14.758 19.359 ( -6.478 -0.890 3.946) 7.637 19.811 ( -15.375 -6.994 -8.281) 18.812 20.409 ( -0.592 -4.814 1.381) 5.043 20.960 ( 1.022 -1.235 5.449) 5.680 21.204 ( 1.503 -1.045 1.306) 2.249 21.384 ( 0.689 -1.003 6.495) 6.608 21.618 ( -4.000 -2.977 -3.411) 6.041 21.722 ( -2.467 -2.245 -2.655) 4.263 21.881 ( 6.112 2.839 0.882) 6.797 22.196 ( -0.719 1.432 4.352) 4.638 ======================= Grid point 217 (111/129) ======================= q-point: ( 0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 2.858 -4.967 9.200) 10.838 2.192 ( -0.356 -2.826 -12.236) 12.563 2.931 ( -0.426 -6.057 0.009) 6.071 3.017 ( 4.454 -24.672 0.091) 25.071 3.111 ( 0.109 -24.221 5.527) 24.844 3.175 ( -2.123 -18.863 1.519) 19.043 3.261 ( -0.182 -16.135 -5.249) 16.969 3.391 ( -2.412 -3.704 -1.629) 4.711 3.611 ( 0.401 -2.607 2.088) 3.364 3.647 ( 16.017 -35.342 3.068) 38.923 4.147 ( 9.399 -5.702 -7.382) 13.242 4.237 ( -2.155 4.558 9.824) 11.043 4.454 ( -5.555 1.833 2.923) 6.539 4.853 ( -12.185 1.959 1.169) 12.397 4.885 ( 8.228 -3.407 8.373) 12.224 5.174 ( 4.622 -0.696 1.149) 4.813 5.273 ( 2.668 20.197 1.694) 20.443 5.424 ( 3.523 0.184 1.192) 3.723 5.568 ( 8.499 20.689 4.071) 22.734 5.569 ( 1.991 2.334 1.502) 3.416 5.698 ( -7.788 -2.358 -4.772) 9.434 5.791 ( 7.596 9.103 8.187) 14.408 5.900 ( -6.815 1.905 -6.472) 9.590 6.127 ( -11.529 -2.277 -7.490) 13.936 6.253 ( -4.909 1.000 3.922) 6.363 6.563 ( -4.492 -0.093 -7.481) 8.726 6.662 ( -3.234 3.694 1.732) 5.206 6.732 ( -2.467 1.006 1.129) 2.894 6.786 ( 7.289 5.810 10.942) 14.374 6.943 ( -2.513 2.733 2.853) 4.682 7.038 ( 4.313 5.633 -2.891) 7.661 7.197 ( 4.833 2.022 0.966) 5.327 7.281 ( 1.778 -1.538 2.012) 3.094 7.297 ( -1.915 13.398 1.526) 13.620 7.458 ( 6.042 -3.969 3.087) 7.861 7.556 ( 0.232 5.512 -3.014) 6.286 7.668 ( -15.545 -5.925 -0.588) 16.646 7.768 ( 1.803 -3.788 1.608) 4.492 7.883 ( -6.864 -0.402 -5.071) 8.544 8.128 ( -5.725 -5.338 -1.925) 8.060 8.411 ( -15.580 -7.984 -13.571) 22.151 8.676 ( -7.799 -3.556 -1.967) 8.794 8.830 ( 7.215 -1.234 7.848) 10.732 9.104 ( 8.492 -8.262 14.602) 18.804 9.307 ( 11.302 -13.099 4.894) 17.980 9.587 ( 0.214 7.317 -5.151) 8.950 9.889 ( 6.035 1.728 -3.535) 7.205 10.138 ( 0.250 -3.801 -3.683) 5.299 10.307 ( 0.053 0.944 -3.134) 3.274 10.425 ( -4.307 -1.256 -2.413) 5.094 12.428 ( -4.879 -2.487 -7.044) 8.922 12.695 ( 11.314 1.743 3.323) 11.920 12.963 ( 5.732 19.086 0.840) 19.945 13.407 ( -3.021 9.165 -1.290) 9.736 13.982 ( 5.987 4.429 0.039) 7.447 14.221 ( -0.833 -1.109 0.201) 1.402 14.613 ( -14.439 6.268 -6.860) 17.170 14.700 ( -0.584 4.061 -0.345) 4.118 14.892 ( -1.003 7.991 1.893) 8.273 14.991 ( 8.994 -2.111 7.496) 11.897 15.035 ( 4.156 -2.243 4.280) 6.373 15.154 ( -7.356 7.805 14.659) 18.163 15.188 ( 4.977 5.216 5.568) 9.110 15.225 ( -5.890 -2.927 0.274) 6.583 15.389 ( 5.231 -1.325 -9.301) 10.753 15.571 ( 2.657 26.213 -2.288) 26.446 15.689 ( -2.049 9.783 -3.654) 10.642 15.919 ( -11.902 -0.501 -5.508) 13.124 16.270 ( 2.632 3.581 6.441) 7.825 16.461 ( 1.203 -5.154 -5.837) 7.879 16.645 ( -1.267 1.814 10.526) 10.756 16.707 ( 9.013 0.295 -11.212) 14.388 16.994 ( -3.311 2.123 4.901) 6.284 17.490 ( 1.500 2.958 -16.873) 17.196 17.673 ( -5.498 -2.636 8.840) 10.739 17.752 ( 2.087 -6.865 -7.890) 10.665 17.873 ( 0.018 -12.682 -1.983) 12.836 18.034 ( -1.079 -2.630 -10.914) 11.279 18.764 ( 13.891 -16.514 4.043) 21.955 19.089 ( 13.738 -4.604 3.654) 14.943 19.307 ( -8.723 -1.204 5.611) 10.442 19.805 ( -16.292 -8.660 -9.415) 20.714 20.537 ( -3.627 -10.441 -0.087) 11.053 20.981 ( 2.078 1.091 3.992) 4.631 21.218 ( 0.221 0.543 0.514) 0.780 21.464 ( 4.171 -4.845 8.421) 10.573 21.572 ( -7.476 -0.732 -4.999) 9.023 21.818 ( 4.905 -1.685 -0.261) 5.193 21.882 ( 1.442 -1.689 -0.057) 2.222 22.150 ( -1.988 2.307 2.993) 4.270 ======================= Grid point 218 (112/129) ======================= q-point: ( 0.62 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 3.834 -4.673 4.034) 7.267 2.232 ( 0.075 -1.973 -10.893) 11.070 2.998 ( 2.433 -2.894 -1.232) 3.976 3.290 ( 1.436 5.934 3.454) 7.014 3.424 ( 8.425 -9.357 1.030) 12.632 3.481 ( 0.440 -13.116 -2.808) 13.421 3.565 ( 3.067 -23.226 7.544) 24.612 3.626 ( -6.319 -20.879 1.214) 21.848 3.728 ( -2.367 -12.031 1.411) 12.343 4.080 ( -7.903 2.166 17.003) 18.874 4.239 ( 3.993 -1.175 -8.353) 9.333 4.336 ( -1.847 3.236 -3.412) 5.052 4.598 ( 5.689 -22.649 -3.223) 23.573 4.822 ( -3.480 -19.441 -0.821) 19.767 4.916 ( 1.567 15.515 0.278) 15.597 5.057 ( 7.958 2.783 6.839) 10.856 5.120 ( 6.423 19.978 5.437) 21.678 5.249 ( 1.666 1.736 5.873) 6.347 5.379 ( -2.928 27.333 -4.626) 27.876 5.408 ( -1.094 3.669 4.044) 5.569 5.617 ( -0.821 3.343 1.164) 3.634 5.712 ( 0.226 -5.248 1.561) 5.479 5.879 ( -12.764 -9.530 -5.584) 16.880 6.080 ( -17.593 -4.776 -7.715) 19.795 6.156 ( -3.165 3.779 -5.197) 7.163 6.547 ( -2.673 3.187 -5.178) 6.642 6.570 ( 1.628 4.219 1.682) 4.825 6.645 ( -3.994 5.012 -0.484) 6.427 6.801 ( 3.134 10.785 1.701) 11.359 6.884 ( -0.535 8.130 -0.759) 8.183 6.928 ( 3.674 5.924 7.239) 10.050 7.072 ( 18.124 -1.475 20.139) 27.134 7.243 ( 10.054 -1.298 5.181) 11.384 7.320 ( 1.590 -1.237 -4.102) 4.570 7.544 ( -3.017 1.609 -2.229) 4.081 7.555 ( 3.453 -2.027 -5.669) 6.940 7.719 ( 5.963 -6.402 6.691) 11.014 7.838 ( -8.788 -2.817 -5.469) 10.727 7.924 ( 4.663 -7.840 1.917) 9.321 8.197 ( -6.522 -7.638 -0.874) 10.082 8.409 ( -13.117 -6.267 -14.074) 20.234 8.647 ( -10.844 -1.989 -1.803) 11.172 8.879 ( 2.395 1.141 4.473) 5.201 9.303 ( 6.926 -4.961 8.091) 11.750 9.418 ( -4.239 7.631 -5.891) 10.531 9.557 ( 8.818 -4.128 2.876) 10.152 9.879 ( 3.601 4.894 -0.792) 6.127 10.151 ( -3.050 -0.416 -5.026) 5.894 10.301 ( 1.894 0.280 -1.585) 2.486 10.462 ( -3.495 -4.685 -3.244) 6.684 12.439 ( -4.680 -3.196 -4.295) 7.111 12.583 ( 9.154 18.651 3.048) 20.999 12.836 ( 5.488 0.462 1.743) 5.777 13.245 ( -3.638 3.871 -2.062) 5.698 13.904 ( 8.962 9.159 2.076) 12.981 14.203 ( -1.679 0.281 -1.041) 1.996 14.299 ( -16.859 11.024 -7.297) 21.424 14.543 ( -0.349 10.117 -0.689) 10.146 14.709 ( -3.519 2.806 6.115) 7.592 15.039 ( -1.874 2.878 12.277) 12.748 15.076 ( 8.066 8.329 3.974) 12.257 15.098 ( 6.173 0.872 9.842) 11.650 15.207 ( 0.086 -1.356 4.554) 4.752 15.250 ( -0.653 -6.119 1.406) 6.313 15.282 ( 1.513 8.771 1.790) 9.078 15.348 ( -7.510 -0.694 -2.069) 7.821 15.700 ( 14.417 -3.888 -19.717) 24.733 15.841 ( -14.051 -3.425 -3.645) 14.915 16.223 ( 0.777 3.492 4.746) 5.943 16.563 ( -3.191 3.292 9.099) 10.189 16.695 ( 6.429 -11.447 -3.239) 13.522 16.813 ( 9.508 -2.617 -12.799) 16.158 16.952 ( -5.204 -1.804 7.750) 9.508 17.398 ( -1.836 5.729 -15.352) 16.489 17.623 ( -8.311 0.879 14.773) 16.973 17.815 ( 6.789 0.236 -12.110) 13.885 18.025 ( -4.140 0.253 -9.708) 10.557 18.230 ( -1.217 -21.018 -1.188) 21.087 18.892 ( 7.006 11.767 1.650) 13.794 19.178 ( 7.982 11.439 4.064) 14.529 19.313 ( -3.632 -9.603 1.818) 10.426 19.955 ( -7.638 -18.385 -3.582) 20.228 20.701 ( -2.605 -9.382 -0.651) 9.758 20.964 ( -0.276 0.992 2.587) 2.785 21.214 ( 2.786 0.635 3.356) 4.408 21.485 ( -7.694 -0.527 -6.545) 10.115 21.660 ( 6.624 -6.236 7.249) 11.632 21.818 ( 8.013 4.939 1.401) 9.516 21.964 ( -3.577 -3.879 0.145) 5.278 22.087 ( -3.319 1.085 -0.647) 3.551 ======================= Grid point 219 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 2.793 -2.394 2.633) 4.524 2.259 ( 1.280 -0.709 -12.597) 12.682 3.079 ( 3.746 -2.056 -2.909) 5.170 3.129 ( 1.789 10.755 8.347) 13.731 3.630 ( 8.450 3.442 5.913) 10.873 3.658 ( -3.112 -9.111 1.645) 9.768 3.737 ( -13.448 -2.937 -5.585) 14.855 3.855 ( -7.449 -4.013 9.475) 12.703 3.956 ( 9.076 -7.613 0.959) 11.885 4.163 ( -6.028 -12.934 5.234) 15.200 4.254 ( 3.255 -10.731 0.158) 11.215 4.361 ( 7.903 -2.372 -8.404) 11.777 4.634 ( -0.497 22.058 -0.050) 22.063 4.674 ( -2.581 17.393 -1.095) 17.618 4.742 ( -1.986 10.661 -1.205) 10.911 4.836 ( -0.673 6.337 1.827) 6.630 5.051 ( 1.887 4.981 3.709) 6.491 5.115 ( -2.044 5.331 1.191) 5.832 5.202 ( 1.545 16.097 0.383) 16.175 5.366 ( -3.088 3.528 7.990) 9.264 5.452 ( 9.600 8.503 13.152) 18.369 5.839 ( -7.356 10.608 -21.218) 24.836 6.075 ( -7.636 -25.819 3.107) 27.103 6.114 ( -6.062 -22.136 3.380) 23.199 6.173 ( 1.817 -6.941 -1.407) 7.311 6.353 ( -2.838 1.349 -2.164) 3.815 6.541 ( -3.282 1.689 2.696) 4.572 6.607 ( 1.298 -3.521 -0.708) 3.819 6.711 ( -0.354 -1.361 0.044) 1.407 6.804 ( -0.300 -0.923 0.836) 1.281 6.909 ( 2.586 -1.705 -0.612) 3.157 7.246 ( 5.310 -1.576 5.368) 7.714 7.340 ( 5.433 0.950 -1.661) 5.760 7.448 ( -2.631 2.441 2.454) 4.348 7.478 ( 19.387 -4.377 11.208) 22.818 7.634 ( -3.864 -4.692 -3.494) 7.011 7.796 ( -3.803 -1.965 -7.682) 8.794 7.925 ( 11.718 -1.691 4.097) 12.528 8.063 ( -3.988 -4.637 -4.315) 7.485 8.310 ( -2.983 -9.198 0.580) 9.687 8.404 ( -6.254 -1.999 -9.379) 11.448 8.596 ( -6.097 -2.977 -0.037) 6.785 8.837 ( 1.738 4.886 4.894) 7.131 9.195 ( -6.662 8.764 -7.460) 13.298 9.441 ( 3.488 -1.679 3.846) 5.457 9.627 ( 3.073 2.035 2.766) 4.608 9.767 ( 0.728 7.629 -1.770) 7.865 10.156 ( -1.510 -2.756 -4.895) 5.817 10.314 ( 1.972 0.256 -1.233) 2.340 10.468 ( -2.920 1.898 -2.795) 4.466 12.313 ( 2.107 11.020 0.369) 11.225 12.517 ( -0.056 -5.074 -0.686) 5.121 12.877 ( 2.537 -0.179 0.389) 2.573 13.217 ( -1.451 -3.033 -1.276) 3.596 13.874 ( 12.616 3.458 5.547) 14.209 14.002 ( -15.718 3.634 -7.496) 17.788 14.198 ( -0.755 -0.602 -1.459) 1.750 14.440 ( 0.332 -1.539 -1.145) 1.947 14.714 ( -1.965 -3.443 9.182) 10.001 14.854 ( -6.037 9.006 9.768) 14.593 15.036 ( 10.387 5.812 -0.549) 11.915 15.074 ( -3.359 6.205 4.690) 8.472 15.136 ( 8.923 3.705 0.581) 9.680 15.312 ( 0.351 -6.301 2.400) 6.751 15.378 ( -5.032 -9.060 8.453) 13.374 15.421 ( -0.263 -6.995 -5.344) 8.807 15.790 ( -15.403 -4.935 -1.821) 16.277 15.921 ( 16.010 -4.601 -15.206) 22.555 16.163 ( 0.015 3.160 3.528) 4.736 16.455 ( -4.384 4.876 9.921) 11.892 16.864 ( 7.886 0.829 0.807) 7.970 16.910 ( 6.730 -0.164 -6.979) 9.696 17.008 ( -10.539 -5.436 -2.357) 12.090 17.303 ( 3.027 -0.751 -11.764) 12.170 17.528 ( -9.128 1.356 14.478) 17.168 17.877 ( 10.918 1.187 -16.174) 19.550 17.964 ( -6.657 -0.263 -2.895) 7.264 18.525 ( 1.339 -0.712 -1.700) 2.278 18.664 ( -0.855 4.420 -0.560) 4.536 18.890 ( 0.629 20.420 0.632) 20.440 19.469 ( 0.092 -6.325 2.876) 6.949 20.178 ( -0.404 -5.682 0.739) 5.744 20.845 ( 0.599 -6.903 0.317) 6.936 20.989 ( -1.185 -6.273 0.091) 6.385 21.253 ( 5.311 -0.323 7.906) 9.530 21.417 ( -7.911 0.181 -7.336) 10.790 21.783 ( 1.625 3.173 1.839) 4.011 21.814 ( 5.499 -2.434 3.094) 6.762 21.903 ( -1.500 6.073 1.660) 6.472 22.082 ( -2.551 -2.085 -2.996) 4.453 ======================= Grid point 220 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -1.955 1.063 7.773) 8.086 2.266 ( 2.488 1.605 -15.845) 16.119 2.946 ( 1.447 8.437 3.609) 9.290 3.145 ( 5.638 0.802 -3.222) 6.543 3.377 ( -2.062 20.552 -0.535) 20.662 3.599 ( -10.252 11.539 7.908) 17.344 3.737 ( -5.914 1.979 1.537) 6.423 3.798 ( -0.018 1.239 1.221) 1.740 3.922 ( -8.454 26.604 -2.744) 28.050 4.013 ( 1.729 11.452 5.847) 12.974 4.274 ( 2.148 9.002 -7.643) 12.003 4.326 ( 6.072 9.400 2.753) 11.524 4.474 ( -2.835 12.280 -3.802) 13.164 4.670 ( 9.226 5.744 3.120) 11.307 4.690 ( 2.176 8.728 8.568) 12.423 4.791 ( 3.401 -5.714 4.895) 8.257 4.853 ( 3.330 -13.843 1.306) 14.298 4.957 ( 4.189 3.580 -1.518) 5.715 4.987 ( 0.257 -5.272 -0.888) 5.352 5.327 ( -0.693 0.037 11.056) 11.078 5.454 ( 8.290 1.940 5.500) 10.136 5.625 ( -1.937 3.866 -18.129) 18.637 6.131 ( -11.626 -2.027 13.595) 18.002 6.381 ( 1.397 -10.320 1.358) 10.502 6.447 ( -4.354 -3.970 5.921) 8.353 6.516 ( -0.538 -7.320 -2.089) 7.631 6.605 ( -3.010 -11.832 1.197) 12.267 6.747 ( -0.164 -12.514 -1.269) 12.579 6.853 ( 3.955 -8.449 2.090) 9.560 6.922 ( -0.329 -9.082 -4.542) 10.160 7.045 ( -2.391 -18.601 0.172) 18.755 7.290 ( -1.402 -2.283 -0.518) 2.729 7.360 ( 2.558 -2.179 -1.504) 3.681 7.440 ( 1.002 0.233 -0.037) 1.029 7.623 ( -10.432 -3.485 -6.169) 12.611 7.661 ( 0.687 -1.103 -2.316) 2.656 7.842 ( 11.369 -1.727 -0.488) 11.510 7.897 ( -20.710 4.534 -10.632) 23.717 8.031 ( 6.813 3.227 4.309) 8.683 8.341 ( 4.479 2.720 2.988) 6.032 8.542 ( 3.361 -7.679 0.361) 8.390 8.620 ( 2.950 3.947 4.083) 6.399 8.784 ( 5.239 0.455 0.631) 5.296 8.975 ( -5.227 8.202 -2.003) 9.930 9.337 ( -14.689 7.853 -0.762) 16.674 9.562 ( -1.196 7.275 -0.518) 7.391 9.688 ( 10.854 4.868 -1.261) 11.963 10.222 ( 0.024 -4.886 -2.347) 5.421 10.322 ( 1.426 0.341 -1.793) 2.316 10.346 ( -0.291 8.261 -1.097) 8.338 12.208 ( 3.281 3.146 -2.205) 5.052 12.667 ( -0.881 -11.477 -0.553) 11.524 12.878 ( -2.066 0.172 -1.800) 2.746 13.304 ( -0.498 -6.658 0.011) 6.677 13.887 ( -8.353 -3.347 -5.520) 10.557 14.017 ( 14.555 -4.641 5.932) 16.388 14.205 ( 0.895 -0.351 -0.318) 1.013 14.621 ( -0.402 -13.783 -1.131) 13.835 14.680 ( -5.306 2.780 6.178) 8.605 14.764 ( 0.747 -2.585 9.903) 10.262 14.919 ( 6.119 7.913 -3.061) 10.461 15.118 ( 7.100 -2.145 -6.307) 9.736 15.153 ( 3.342 -1.324 1.392) 3.854 15.417 ( -2.316 -6.455 0.798) 6.904 15.508 ( -7.226 -10.068 13.163) 18.079 15.562 ( 0.149 -7.937 -0.538) 7.956 15.740 ( -17.276 -4.777 -1.235) 17.967 16.089 ( 5.575 0.353 -0.597) 5.618 16.154 ( 11.445 -1.062 -5.210) 12.620 16.323 ( -5.350 4.696 7.966) 10.683 16.755 ( -0.934 14.875 0.311) 14.908 16.897 ( -11.615 -2.670 7.906) 14.302 17.019 ( 9.975 -0.832 -17.686) 20.322 17.427 ( -10.061 -4.011 6.281) 12.520 17.477 ( 6.583 -4.118 -7.044) 10.484 17.857 ( 0.413 3.664 -13.752) 14.238 18.022 ( 7.234 -1.347 0.574) 7.381 18.273 ( 3.862 14.057 -2.104) 14.729 18.478 ( -0.952 22.743 -1.439) 22.809 18.745 ( 1.234 0.581 0.770) 1.567 19.536 ( -1.817 -1.683 3.082) 3.954 20.173 ( 1.051 3.708 0.664) 3.911 20.934 ( -3.102 -4.487 0.154) 5.457 21.158 ( 1.921 -4.372 -0.437) 4.796 21.295 ( 3.646 0.104 9.075) 9.781 21.365 ( -3.938 -2.879 -3.919) 6.257 21.617 ( -14.123 7.548 -2.937) 16.281 21.798 ( 10.529 9.084 2.287) 14.093 21.881 ( -0.109 -1.166 -0.270) 1.202 22.102 ( 0.337 -1.438 0.529) 1.569 ======================= Grid point 224 (115/129) ======================= q-point: ( 0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 5.413 0.000 9.541) 10.970 1.934 ( 9.498 0.000 -9.067) 13.131 2.181 ( 1.731 0.000 -11.450) 11.580 2.301 ( -12.474 -0.000 0.503) 12.484 2.540 ( 18.934 0.000 12.297) 22.577 2.858 ( -3.204 -0.000 -2.243) 3.912 3.004 ( -3.724 -0.000 -1.205) 3.914 3.192 ( 17.623 0.000 0.085) 17.624 3.371 ( -15.629 -0.000 -3.741) 16.071 3.665 ( 6.275 0.000 0.843) 6.332 4.022 ( 2.579 0.000 -2.079) 3.312 4.374 ( 6.906 0.000 5.949) 9.115 4.542 ( -12.976 -0.000 5.695) 14.170 4.704 ( 24.428 0.000 19.081) 30.997 4.974 ( -18.618 -0.000 -2.336) 18.764 5.162 ( 5.630 0.000 -12.981) 14.149 5.355 ( -6.101 -0.000 3.891) 7.236 5.435 ( -8.420 -0.000 6.336) 10.538 5.510 ( 7.348 0.000 6.679) 9.929 5.858 ( 21.859 0.000 23.573) 32.148 5.865 ( 6.582 0.000 2.251) 6.957 6.037 ( -26.253 -0.000 -16.184) 30.840 6.062 ( 12.998 0.000 -13.423) 18.685 6.233 ( 10.182 0.000 7.548) 12.674 6.425 ( -16.527 -0.000 -3.795) 16.957 6.596 ( -2.481 -0.000 -1.323) 2.812 6.619 ( -13.808 -0.000 -2.683) 14.067 6.743 ( -1.331 -0.000 1.506) 2.009 6.784 ( -0.832 -0.000 -0.935) 1.252 7.053 ( 17.633 0.000 10.147) 20.344 7.092 ( 3.653 0.000 1.061) 3.805 7.192 ( -3.451 -0.000 -2.542) 4.286 7.279 ( 1.061 0.000 8.818) 8.882 7.398 ( -2.892 -0.000 1.177) 3.122 7.484 ( -12.051 -0.000 3.019) 12.423 7.524 ( 2.590 0.000 -5.817) 6.368 7.749 ( -11.990 -0.000 -11.378) 16.529 7.765 ( -3.485 -0.000 -3.118) 4.676 7.893 ( -6.189 -0.000 6.776) 9.177 8.103 ( -11.791 -0.000 -13.448) 17.885 8.125 ( -7.254 -0.000 -2.731) 7.751 8.588 ( -8.209 -0.000 -9.691) 12.700 8.764 ( 13.119 0.000 10.315) 16.688 8.888 ( 5.033 0.000 18.975) 19.631 8.914 ( 18.044 0.000 13.648) 22.624 9.730 ( -4.424 -0.000 -6.377) 7.761 9.950 ( 9.874 0.000 -3.217) 10.384 10.003 ( 1.718 0.000 -7.339) 7.538 10.316 ( 0.465 0.000 -3.256) 3.289 10.464 ( -6.017 -0.000 -1.356) 6.168 12.374 ( -5.523 -0.000 -8.109) 9.811 12.693 ( 10.976 0.000 3.684) 11.578 13.576 ( 2.890 0.000 -4.705) 5.522 13.644 ( -0.266 -0.000 -0.698) 0.747 13.898 ( 11.400 0.000 4.286) 12.179 14.107 ( 1.126 0.000 0.607) 1.279 14.509 ( -0.469 -0.000 -0.392) 0.611 14.837 ( -24.934 -0.000 -9.204) 26.579 14.855 ( 0.091 0.000 8.471) 8.471 14.957 ( -1.261 -0.000 3.990) 4.185 15.077 ( 20.965 0.000 12.687) 24.506 15.174 ( -7.249 -0.000 16.499) 18.021 15.282 ( -7.246 -0.000 8.950) 11.516 15.339 ( 13.671 0.000 -25.944) 29.325 15.557 ( -5.754 -0.000 -0.998) 5.840 15.900 ( -11.644 -0.000 -8.780) 14.583 15.924 ( -2.411 -0.000 -9.319) 9.626 16.299 ( 3.648 0.000 2.581) 4.469 16.633 ( 5.373 0.000 3.291) 6.301 16.668 ( 3.534 0.000 0.146) 3.537 16.835 ( 4.859 0.000 -7.607) 9.027 17.026 ( -2.639 -0.000 -0.614) 2.709 17.181 ( 0.800 0.000 0.619) 1.012 17.249 ( -2.680 -0.000 6.209) 6.763 17.251 ( -1.029 -0.000 -0.672) 1.229 17.565 ( -0.101 -0.000 0.353) 0.367 17.618 ( -0.649 -0.000 -18.143) 18.155 17.912 ( 0.491 0.000 -0.357) 0.607 18.176 ( 16.156 0.000 -16.862) 23.353 18.688 ( -11.423 -0.000 20.701) 23.643 19.331 ( -1.293 -0.000 0.944) 1.601 19.657 ( -6.359 -0.000 -6.744) 9.270 20.384 ( 1.060 0.000 -0.005) 1.060 20.956 ( 1.520 0.000 5.757) 5.955 21.220 ( 3.322 0.000 1.587) 3.682 21.382 ( 1.392 0.000 6.927) 7.066 21.549 ( -5.639 -0.000 -3.915) 6.865 21.665 ( -3.583 -0.000 -3.439) 4.966 21.958 ( 4.788 0.000 1.100) 4.913 22.205 ( -0.706 -0.000 3.912) 3.975 ======================= Grid point 225 (116/129) ======================= q-point: ( 0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.977 -1.583 1.637) 9.261 2.133 ( -1.956 -1.795 -9.236) 9.610 2.396 ( -1.967 -31.425 -3.003) 31.630 2.558 ( -1.271 -32.522 0.442) 32.550 2.809 ( 13.136 -8.842 6.413) 17.084 2.916 ( 1.154 -8.181 -1.167) 8.344 3.025 ( -1.043 -6.428 -3.587) 7.435 3.267 ( -11.111 -3.654 -3.107) 12.102 3.437 ( 16.426 -7.541 1.091) 18.107 3.695 ( 7.258 -0.034 9.612) 12.045 4.070 ( 1.417 -3.338 2.460) 4.382 4.321 ( -20.364 3.231 13.242) 24.505 4.434 ( 6.699 2.861 -3.235) 7.970 4.768 ( -17.564 4.513 -11.924) 21.704 4.967 ( 21.842 -2.716 17.986) 28.424 5.155 ( -4.338 -2.400 7.703) 9.160 5.399 ( -0.541 -3.020 -2.748) 4.119 5.436 ( 2.943 -3.583 -6.018) 7.597 5.548 ( -1.249 1.204 5.300) 5.577 5.754 ( 3.287 15.418 1.972) 15.888 5.802 ( -21.737 0.168 -14.709) 26.246 6.003 ( 5.704 2.654 2.424) 6.742 6.086 ( 10.846 15.839 3.230) 19.466 6.176 ( -6.009 1.546 0.664) 6.241 6.261 ( 10.088 12.430 4.395) 16.601 6.535 ( -0.175 -0.722 -3.936) 4.006 6.679 ( 0.922 -3.550 5.524) 6.630 6.723 ( -0.013 -0.025 0.699) 0.700 6.810 ( -0.342 -4.338 0.112) 4.352 7.009 ( -0.983 5.957 4.628) 7.607 7.124 ( 4.460 0.823 -0.215) 4.541 7.237 ( 1.721 -2.461 0.243) 3.013 7.303 ( 0.244 -0.656 -2.225) 2.332 7.355 ( -3.387 -2.615 1.137) 4.428 7.445 ( -6.149 0.680 0.946) 6.259 7.554 ( 7.365 -1.582 2.707) 8.005 7.587 ( -11.476 4.417 -4.799) 13.200 7.750 ( 0.948 4.054 1.807) 4.538 7.885 ( -0.803 -1.706 0.994) 2.132 8.004 ( -4.825 -2.257 -2.540) 5.902 8.138 ( -7.067 -5.084 -6.699) 10.985 8.507 ( -14.087 -2.371 -13.711) 19.800 8.909 ( 6.108 -1.747 16.580) 17.755 9.037 ( 10.232 -9.088 7.503) 15.607 9.143 ( 11.950 -9.938 10.672) 18.854 9.622 ( -10.793 2.840 -9.675) 14.770 9.990 ( 4.768 1.445 -5.171) 7.180 10.097 ( 8.733 -3.301 -1.808) 9.510 10.318 ( 0.208 0.246 -2.772) 2.791 10.374 ( -9.048 2.019 -2.761) 9.673 12.340 ( -4.746 -1.633 -5.639) 7.549 12.786 ( 8.538 -0.479 2.037) 8.791 13.388 ( 5.883 17.649 -0.426) 18.608 13.559 ( -2.217 8.654 -1.367) 9.037 14.057 ( 8.450 -1.532 2.844) 9.047 14.170 ( 3.034 -4.711 0.523) 5.628 14.547 ( -16.510 1.759 -6.755) 17.925 14.634 ( -5.682 -5.665 -1.510) 8.164 14.887 ( -0.702 -3.084 12.780) 13.165 14.971 ( -1.026 -2.640 5.925) 6.567 15.108 ( -8.893 1.523 21.657) 23.461 15.185 ( -2.078 3.574 1.753) 4.490 15.222 ( 16.835 4.526 6.405) 18.572 15.376 ( -6.231 5.715 -0.719) 8.486 15.506 ( 17.208 2.133 -26.999) 32.087 15.784 ( -11.806 0.728 -7.712) 14.121 15.842 ( -2.129 5.625 -5.700) 8.287 16.178 ( 0.200 26.239 0.956) 26.257 16.430 ( 2.008 17.022 0.932) 17.166 16.572 ( 0.869 14.028 -0.888) 14.083 16.676 ( 1.954 1.349 3.503) 4.232 16.800 ( 4.665 6.251 -8.758) 11.728 17.031 ( -1.836 3.780 5.287) 6.754 17.405 ( -0.451 -16.565 -1.178) 16.613 17.523 ( -0.771 -1.046 -13.023) 13.088 17.604 ( -2.796 -4.466 3.492) 6.321 17.776 ( -2.262 -9.798 -2.334) 10.323 17.946 ( -0.830 -4.160 -1.338) 4.448 18.480 ( 7.875 -21.857 -3.346) 23.472 18.857 ( 1.903 -20.420 6.679) 21.569 19.288 ( -2.985 3.199 2.322) 4.953 19.626 ( -5.755 -0.774 -7.381) 9.391 20.410 ( 0.249 -2.643 -0.377) 2.681 20.993 ( 1.846 -1.563 4.002) 4.676 21.247 ( 3.389 0.644 1.879) 3.928 21.426 ( 2.568 -2.445 6.579) 7.474 21.496 ( -6.407 -0.642 -3.293) 7.232 21.691 ( -2.102 -5.707 -3.120) 6.835 21.967 ( 2.545 2.386 1.724) 3.892 22.184 ( -0.134 2.016 2.599) 3.292 ======================= Grid point 226 (117/129) ======================= q-point: (-0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 9.934 -2.626 -4.822) 11.351 2.151 ( -4.789 -3.836 -6.411) 8.874 2.896 ( -2.481 -13.123 1.571) 13.447 3.044 ( 0.079 -25.170 -2.569) 25.301 3.164 ( 0.859 -18.358 1.520) 18.441 3.208 ( 5.421 -18.174 3.180) 19.230 3.272 ( 3.137 -12.755 -4.642) 13.931 3.319 ( -3.589 -15.366 -3.586) 16.182 3.566 ( -4.395 -3.300 5.870) 8.041 4.032 ( -1.606 -15.106 10.197) 18.296 4.115 ( 13.896 1.087 16.897) 21.904 4.252 ( -3.634 -20.561 0.244) 20.881 4.413 ( 2.731 3.816 -5.104) 6.934 4.523 ( -13.156 5.462 -12.450) 18.919 5.099 ( -0.681 -1.859 9.493) 9.697 5.257 ( 10.255 0.880 12.310) 16.046 5.296 ( 3.060 17.017 2.603) 17.485 5.456 ( -9.527 3.373 0.613) 10.124 5.476 ( -3.130 -0.808 0.044) 3.232 5.553 ( -4.876 2.542 -2.168) 5.911 5.660 ( 1.283 4.314 -0.011) 4.501 5.823 ( -2.279 15.675 -8.265) 17.866 5.901 ( 6.931 11.037 1.598) 13.131 5.959 ( -8.103 10.602 -4.603) 14.115 6.148 ( -2.466 1.554 -0.564) 2.969 6.546 ( 2.412 0.105 -4.984) 5.538 6.665 ( 2.121 2.962 -0.348) 3.659 6.716 ( -0.170 4.197 -0.462) 4.226 6.925 ( -1.098 2.245 5.260) 5.824 7.066 ( 10.953 -1.228 12.392) 16.585 7.115 ( 9.774 2.205 2.469) 10.319 7.242 ( -2.618 7.765 -0.861) 8.240 7.326 ( 8.121 1.698 3.366) 8.953 7.330 ( 6.976 1.778 3.404) 7.963 7.399 ( -11.876 -1.584 -3.112) 12.379 7.483 ( -6.817 -7.351 -5.951) 11.658 7.644 ( 7.879 -4.539 0.497) 9.106 7.760 ( -6.986 -7.816 -5.540) 11.857 7.815 ( -3.738 4.267 -2.475) 6.189 8.097 ( 1.268 -3.420 2.815) 4.607 8.232 ( 7.141 -7.373 1.889) 10.437 8.427 ( -17.781 -4.379 -14.020) 23.063 8.979 ( 6.948 1.262 10.857) 12.952 9.267 ( 7.946 -6.889 9.100) 13.907 9.434 ( -0.749 -3.435 -3.153) 4.722 9.468 ( -6.016 -3.806 -2.633) 7.591 9.992 ( 1.831 1.822 -5.081) 5.700 10.176 ( 2.342 4.820 -1.381) 5.534 10.291 ( -1.875 -5.250 -1.293) 5.723 10.329 ( -2.498 -1.690 -3.442) 4.576 12.349 ( -2.484 -2.849 -2.890) 4.758 12.850 ( 3.710 -0.512 0.009) 3.745 13.059 ( 2.355 21.963 -0.199) 22.090 13.350 ( -1.637 9.729 -1.241) 9.944 14.118 ( 8.005 1.509 1.817) 8.346 14.194 ( -3.994 6.817 -2.121) 8.181 14.334 ( -8.774 1.213 -2.520) 9.209 14.701 ( -0.904 2.376 -0.543) 2.600 14.815 ( -8.948 11.222 19.836) 24.484 15.040 ( -1.606 -5.095 9.639) 11.020 15.063 ( 0.004 -2.693 12.709) 12.991 15.142 ( -0.098 1.654 -4.668) 4.953 15.154 ( 1.185 1.001 -1.759) 2.345 15.308 ( 8.437 4.051 0.923) 9.404 15.511 ( 4.454 18.782 5.435) 20.053 15.627 ( -1.103 18.798 -5.142) 19.520 15.682 ( -9.218 2.455 -7.933) 12.407 15.749 ( 11.615 -1.957 -20.103) 23.300 16.289 ( -1.002 3.557 6.632) 7.592 16.478 ( 0.908 -5.228 -5.579) 7.699 16.625 ( -2.223 2.957 6.469) 7.452 16.841 ( 7.156 -1.796 -15.397) 17.074 16.961 ( -1.656 2.689 8.794) 9.344 17.451 ( -3.957 3.570 -13.255) 14.287 17.577 ( -6.012 0.357 13.666) 14.935 17.778 ( 1.254 -17.190 -3.801) 17.649 17.874 ( 0.336 -5.131 -0.639) 5.182 18.001 ( -1.586 -2.972 -8.538) 9.179 18.960 ( 3.204 -21.422 1.574) 21.717 19.148 ( -6.024 7.346 3.357) 10.076 19.344 ( 15.801 -14.409 6.109) 22.240 19.551 ( -11.169 -3.938 -10.854) 16.064 20.509 ( 0.097 -8.048 -0.330) 8.056 21.013 ( 1.089 1.463 2.075) 2.763 21.256 ( 2.927 1.062 2.338) 3.893 21.419 ( -5.134 -0.031 -3.383) 6.149 21.583 ( 4.738 -6.997 5.267) 9.957 21.812 ( -2.215 -8.310 -2.042) 8.839 21.921 ( -0.823 3.281 2.149) 4.008 22.134 ( 1.261 3.697 1.072) 4.051 ======================= Grid point 227 (118/129) ======================= q-point: (-0.25 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 8.660 -1.438 -5.819) 10.532 2.184 ( -5.222 -4.575 -7.622) 10.309 3.032 ( 0.371 -5.749 -3.358) 6.668 3.234 ( -7.644 2.300 9.689) 12.554 3.424 ( -2.741 -13.164 3.559) 13.910 3.474 ( -7.156 -11.094 -3.159) 13.574 3.613 ( 3.941 -17.613 -0.445) 18.054 3.682 ( 9.832 -14.537 -0.546) 17.558 3.726 ( 2.058 -16.166 0.056) 16.296 3.998 ( -1.961 1.094 12.014) 12.222 4.234 ( 1.534 4.807 -1.553) 5.280 4.401 ( 4.262 2.814 -5.928) 7.825 4.550 ( -9.501 -23.636 -0.151) 25.475 4.831 ( 3.567 -22.032 -0.536) 22.325 4.919 ( -1.209 13.086 -0.285) 13.144 5.100 ( -3.824 0.481 3.590) 5.267 5.167 ( -2.420 25.077 3.169) 25.392 5.276 ( -6.993 25.045 1.219) 26.032 5.309 ( 0.467 4.594 2.538) 5.269 5.393 ( 2.108 1.129 5.475) 5.975 5.583 ( -7.890 -9.045 8.770) 14.866 5.734 ( 3.991 0.915 0.574) 4.135 5.821 ( 5.499 -3.055 3.352) 7.128 5.919 ( 8.216 -0.879 -0.595) 8.284 6.137 ( 0.577 -0.953 -2.660) 2.884 6.527 ( 0.501 7.253 -3.681) 8.150 6.596 ( 0.659 5.768 0.725) 5.851 6.612 ( -0.625 6.075 0.198) 6.110 6.826 ( 0.245 10.468 2.076) 10.675 6.861 ( -1.112 8.801 -1.862) 9.065 6.981 ( 3.963 8.599 0.479) 9.480 7.261 ( 2.885 -0.534 0.122) 2.937 7.330 ( -10.506 -1.693 -4.722) 11.642 7.414 ( 3.025 -2.788 2.969) 5.074 7.495 ( 4.656 -3.326 3.490) 6.702 7.548 ( -8.915 -6.543 -8.940) 14.220 7.745 ( 5.375 0.157 -0.467) 5.397 7.841 ( -0.192 -7.619 -4.344) 8.772 7.900 ( 0.713 -10.141 -0.089) 10.167 8.197 ( 6.999 -6.527 1.771) 9.732 8.329 ( -10.859 -2.042 -8.277) 13.806 8.500 ( 15.301 -7.097 8.581) 18.924 8.966 ( 1.611 4.987 3.604) 6.360 9.272 ( -6.758 5.877 -1.558) 9.090 9.416 ( 2.203 -2.323 2.951) 4.355 9.592 ( -5.207 -4.333 -0.404) 6.786 9.918 ( -0.075 5.567 -4.516) 7.169 10.124 ( 1.179 0.147 -3.013) 3.239 10.321 ( -0.710 -0.084 -3.078) 3.160 10.423 ( 0.956 -5.127 0.476) 5.237 12.400 ( 0.580 -3.366 -0.342) 3.433 12.642 ( -5.130 19.236 -2.565) 20.073 12.869 ( -1.381 -0.511 -1.827) 2.346 13.223 ( 2.348 3.913 0.041) 4.564 13.963 ( -10.746 7.536 -3.921) 13.698 14.157 ( 12.040 6.164 4.691) 14.316 14.216 ( 1.414 6.346 -0.097) 6.502 14.542 ( 0.346 10.173 -0.651) 10.200 14.639 ( -4.634 -1.049 12.343) 13.225 14.986 ( -4.370 9.027 8.874) 13.391 15.107 ( -3.693 5.777 7.720) 10.325 15.146 ( -3.114 -6.220 11.967) 13.842 15.212 ( 1.651 -4.290 -1.067) 4.718 15.281 ( 1.472 -4.687 -6.203) 7.913 15.354 ( 9.743 6.708 -1.322) 11.903 15.370 ( 6.702 10.392 -2.203) 12.560 15.575 ( -14.219 -2.220 -5.497) 15.406 15.960 ( 15.944 -5.410 -18.305) 24.871 16.223 ( -1.222 3.170 4.541) 5.671 16.509 ( -3.831 4.424 6.664) 8.868 16.720 ( -5.770 -14.501 -2.299) 15.775 16.897 ( 2.496 -0.802 -7.239) 7.699 16.955 ( 4.508 -1.115 1.529) 4.889 17.339 ( -2.473 3.754 -12.403) 13.193 17.497 ( -6.561 2.049 14.761) 16.283 17.908 ( 0.051 -1.198 3.425) 3.629 17.959 ( 2.002 -1.134 -15.375) 15.547 18.245 ( 2.593 -19.972 -2.859) 20.341 18.900 ( -6.381 13.023 1.040) 14.540 19.228 ( -3.435 14.248 -1.138) 14.700 19.302 ( 2.558 -10.755 3.028) 11.462 19.926 ( 5.218 -20.918 -0.803) 21.573 20.688 ( 1.232 -9.075 0.658) 9.182 20.980 ( 2.250 1.703 0.885) 2.957 21.266 ( -0.803 -0.954 0.644) 1.404 21.386 ( 0.260 1.190 0.812) 1.464 21.744 ( 0.491 -5.443 0.239) 5.470 21.818 ( -6.848 2.920 1.225) 7.544 21.945 ( 1.237 -5.080 0.437) 5.247 22.084 ( 3.766 3.513 0.188) 5.153 ======================= Grid point 228 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 2.558 2.522 2.161) 4.193 2.228 ( -3.047 -4.269 -13.725) 14.693 3.048 ( -5.755 4.017 8.110) 10.725 3.164 ( 0.564 -2.912 -4.280) 5.207 3.500 ( -9.879 -2.039 -6.580) 12.044 3.606 ( -4.347 -4.145 6.128) 8.581 3.765 ( 0.838 -2.071 -3.800) 4.408 3.808 ( 9.145 12.058 11.627) 19.084 4.019 ( -4.919 -8.577 0.518) 9.901 4.137 ( 4.564 -9.305 -2.131) 10.581 4.330 ( 2.514 -12.353 -3.372) 13.050 4.445 ( 2.112 -5.408 -6.311) 8.576 4.617 ( -0.538 19.190 0.915) 19.219 4.669 ( 1.679 17.559 3.136) 17.916 4.714 ( -1.066 5.946 2.599) 6.576 4.862 ( 3.588 1.490 2.232) 4.481 4.995 ( -4.541 2.972 2.846) 6.128 5.134 ( 1.000 7.695 2.794) 8.247 5.230 ( 0.448 7.946 0.712) 7.990 5.354 ( 1.600 3.237 7.447) 8.276 5.677 ( 12.854 5.881 8.943) 16.727 5.762 ( -14.722 -15.384 12.024) 24.454 5.836 ( 4.605 13.136 -9.745) 16.992 6.170 ( 4.897 -12.679 5.320) 14.596 6.275 ( 6.091 -10.671 3.070) 12.665 6.365 ( 7.146 -3.791 2.594) 8.495 6.501 ( -3.157 2.802 5.657) 7.058 6.585 ( -2.187 -3.300 -1.352) 4.183 6.708 ( -0.492 -2.237 -0.239) 2.303 6.803 ( 0.349 -1.224 2.575) 2.872 6.958 ( 2.255 0.824 -6.033) 6.493 7.256 ( -9.204 -0.719 -2.471) 9.557 7.286 ( -0.083 -1.086 -2.470) 2.700 7.447 ( -0.481 0.227 -0.555) 0.769 7.467 ( -20.423 -5.301 -23.428) 31.529 7.566 ( -4.534 -1.600 -3.564) 5.985 7.790 ( -13.543 1.902 -5.968) 14.921 7.919 ( 11.774 -2.785 3.548) 12.608 8.022 ( -0.715 -3.354 0.275) 3.440 8.370 ( 6.369 -4.969 4.931) 9.464 8.496 ( 17.991 -10.671 3.769) 21.254 8.719 ( 9.888 2.102 2.526) 10.420 8.850 ( 0.533 2.866 1.622) 3.336 9.108 ( -1.426 9.149 6.039) 11.055 9.328 ( -12.814 4.800 -0.797) 13.707 9.594 ( -5.110 -0.633 -2.855) 5.887 9.843 ( 3.702 3.892 -4.612) 7.080 10.163 ( 2.919 -2.001 -1.043) 3.689 10.310 ( -2.021 -0.246 -4.602) 5.032 10.470 ( 2.785 1.974 1.754) 3.838 12.325 ( -1.831 8.645 -3.644) 9.559 12.498 ( -0.150 -5.812 0.635) 5.848 12.843 ( -5.807 -0.045 -3.669) 6.869 13.230 ( 2.505 -1.641 0.846) 3.112 13.775 ( -9.117 1.232 -4.524) 10.252 14.125 ( 11.074 2.865 5.166) 12.551 14.235 ( 8.140 0.845 3.078) 8.743 14.456 ( 1.575 -2.266 -1.405) 3.097 14.688 ( -1.661 -3.531 12.206) 12.815 14.753 ( -4.990 6.919 3.206) 9.113 15.015 ( -3.624 1.986 0.666) 4.186 15.236 ( -0.046 0.004 8.913) 8.913 15.250 ( 10.249 5.343 -3.313) 12.023 15.302 ( -1.304 -3.352 4.459) 5.728 15.324 ( 2.422 -0.527 -2.838) 3.768 15.441 ( 0.821 -6.859 -0.921) 6.969 15.509 ( -13.423 -3.462 -4.077) 14.450 16.140 ( 3.580 0.809 -0.743) 3.745 16.205 ( 9.938 -3.125 -9.429) 14.051 16.378 ( -4.663 5.211 5.611) 8.965 16.744 ( -13.064 -1.984 0.482) 13.223 16.932 ( -3.954 5.378 10.710) 12.620 17.064 ( 10.194 -5.491 -16.584) 20.226 17.289 ( -5.861 -0.413 -1.574) 6.083 17.461 ( 3.422 -2.203 0.293) 4.080 17.879 ( -3.563 0.720 -3.621) 5.131 18.068 ( 11.268 -3.372 -7.128) 13.753 18.531 ( -1.675 6.025 -2.667) 6.798 18.652 ( 0.660 -5.141 1.034) 5.285 18.861 ( -3.640 19.774 -0.832) 20.124 19.462 ( -0.913 -4.839 2.598) 5.567 20.210 ( 3.153 -4.266 1.511) 5.516 20.795 ( -3.442 -4.651 -0.150) 5.788 21.094 ( 9.875 -6.757 1.719) 12.088 21.265 ( -5.990 -2.566 -3.776) 7.532 21.383 ( 6.299 2.519 8.692) 11.026 21.621 ( -13.356 6.243 -0.300) 14.746 21.821 ( -4.071 -2.325 -5.751) 7.419 22.000 ( 5.440 2.757 2.655) 6.652 22.091 ( 3.444 -0.679 1.195) 3.708 ======================= Grid point 233 (120/129) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 11.477 0.000 -7.650) 13.793 2.033 ( -14.073 -0.000 2.601) 14.311 2.124 ( 9.621 0.000 -4.116) 10.465 2.183 ( -3.082 -0.000 -5.163) 6.013 2.817 ( 1.448 0.000 -1.503) 2.087 2.899 ( 15.218 0.000 6.923) 16.718 2.951 ( -1.531 -0.000 -4.216) 4.486 3.093 ( -13.329 -0.000 -4.820) 14.174 3.498 ( 1.714 0.000 0.836) 1.907 3.729 ( 12.900 0.000 11.233) 17.105 3.998 ( -23.305 -0.000 -0.443) 23.309 4.220 ( 5.497 0.000 15.499) 16.445 4.559 ( 8.265 0.000 -2.047) 8.515 4.689 ( -10.848 -0.000 -7.808) 13.366 5.009 ( -14.674 -0.000 17.630) 22.938 5.181 ( 26.696 0.000 16.143) 31.197 5.403 ( 2.267 0.000 2.238) 3.185 5.441 ( 4.658 0.000 -17.512) 18.121 5.554 ( -5.017 -0.000 12.713) 13.667 5.577 ( -19.215 -0.000 -18.224) 26.482 5.935 ( 0.316 0.000 1.894) 1.920 6.032 ( -6.327 -0.000 0.621) 6.358 6.130 ( 0.718 0.000 -5.889) 5.932 6.404 ( 6.703 0.000 3.835) 7.722 6.521 ( 6.188 0.000 -6.083) 8.677 6.542 ( -3.078 -0.000 -2.524) 3.981 6.646 ( 34.848 0.000 22.029) 41.227 6.742 ( 1.437 0.000 -0.069) 1.439 6.771 ( -0.123 -0.000 -1.438) 1.444 7.046 ( -18.701 -0.000 -7.746) 20.241 7.110 ( -0.381 -0.000 2.811) 2.837 7.162 ( -0.809 -0.000 -2.298) 2.437 7.252 ( 1.374 0.000 -3.636) 3.887 7.311 ( -14.154 -0.000 -10.094) 17.385 7.381 ( 0.509 0.000 3.468) 3.505 7.470 ( -5.243 -0.000 -4.208) 6.723 7.778 ( -6.221 -0.000 3.988) 7.390 7.785 ( 15.146 0.000 20.649) 25.608 7.842 ( 8.821 0.000 -2.230) 9.098 8.012 ( 0.641 0.000 -4.430) 4.476 8.049 ( -1.205 -0.000 -0.519) 1.312 8.345 ( -15.385 -0.000 -16.270) 22.392 8.906 ( 4.557 0.000 8.476) 9.624 8.994 ( 4.359 0.000 8.842) 9.858 9.200 ( 12.474 0.000 11.108) 16.703 9.540 ( -11.783 -0.000 -9.150) 14.919 9.999 ( -1.160 -0.000 -8.166) 8.248 10.145 ( 4.224 0.000 -0.744) 4.289 10.319 ( -0.064 -0.000 -2.489) 2.490 10.337 ( -3.629 -0.000 -1.231) 3.832 12.290 ( -2.791 -0.000 -3.347) 4.358 12.834 ( 3.364 0.000 -0.650) 3.426 13.594 ( -0.786 -0.000 -3.084) 3.182 13.641 ( -0.074 -0.000 -0.237) 0.248 14.125 ( 1.060 0.000 -0.877) 1.376 14.144 ( 11.031 0.000 4.673) 11.980 14.445 ( -13.768 -0.000 -4.744) 14.563 14.492 ( -2.189 -0.000 1.353) 2.574 14.845 ( -2.645 -0.000 17.886) 18.081 14.921 ( -3.293 -0.000 9.012) 9.594 15.065 ( -5.725 -0.000 12.925) 14.137 15.227 ( 0.023 0.000 1.072) 1.072 15.391 ( -4.082 -0.000 1.889) 4.498 15.434 ( 18.740 0.000 10.979) 21.719 15.641 ( 15.142 0.000 -31.615) 35.054 15.652 ( -15.999 -0.000 -11.606) 19.765 15.887 ( -0.969 -0.000 -6.147) 6.223 16.347 ( 1.620 0.000 0.097) 1.623 16.690 ( 0.914 0.000 1.568) 1.815 16.724 ( 3.764 0.000 -4.806) 6.104 16.833 ( -4.851 -0.000 0.826) 4.921 17.010 ( -0.703 -0.000 -1.182) 1.375 17.200 ( 1.041 0.000 0.705) 1.257 17.229 ( -1.109 -0.000 -0.725) 1.325 17.282 ( 5.978 0.000 0.124) 5.979 17.550 ( -4.604 -0.000 -14.576) 15.286 17.567 ( 0.189 0.000 0.176) 0.258 17.915 ( -0.118 -0.000 -0.222) 0.251 18.123 ( -20.215 -0.000 20.919) 29.090 18.784 ( 22.007 0.000 -16.182) 27.316 19.282 ( -5.802 -0.000 7.423) 9.422 19.599 ( -0.765 -0.000 -5.708) 5.759 20.395 ( 0.459 0.000 -0.919) 1.027 20.988 ( 1.484 0.000 3.169) 3.499 21.286 ( 2.871 0.000 1.619) 3.296 21.416 ( -2.134 -0.000 0.994) 2.354 21.456 ( 1.373 0.000 3.184) 3.468 21.614 ( -2.545 -0.000 -3.683) 4.476 21.994 ( -1.286 -0.000 2.820) 3.099 22.213 ( 1.797 0.000 1.076) 2.095 ======================= Grid point 234 (121/129) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 11.483 -1.011 -15.430) 19.260 2.003 ( -11.664 -5.033 3.414) 13.155 2.361 ( -2.765 -28.341 0.018) 28.476 2.587 ( 3.659 -32.659 -2.101) 32.931 2.874 ( 0.899 -4.706 -3.688) 6.046 2.972 ( -5.019 -8.330 -4.452) 10.696 3.032 ( -6.583 -9.168 -2.815) 11.632 3.177 ( 13.894 -6.375 5.707) 16.317 3.460 ( -9.733 -2.491 4.163) 10.875 3.758 ( -28.444 -2.922 5.667) 29.149 3.963 ( 9.827 -7.683 -0.287) 12.477 4.344 ( 24.764 1.691 11.892) 27.524 4.505 ( -3.175 6.259 -4.406) 8.287 4.614 ( 4.285 5.025 0.665) 6.637 4.947 ( -13.597 -5.742 17.860) 23.170 5.296 ( -19.650 -0.146 -12.030) 23.041 5.383 ( -3.724 -0.355 10.756) 11.388 5.466 ( 18.584 -1.579 12.514) 22.460 5.515 ( 3.254 1.526 6.754) 7.651 5.599 ( 5.819 -1.274 -13.255) 14.532 5.761 ( -2.405 14.933 1.500) 15.199 5.969 ( -5.781 0.048 -3.406) 6.710 6.107 ( 2.039 6.455 0.900) 6.830 6.194 ( 1.643 16.107 -2.953) 16.457 6.362 ( -2.522 15.915 -2.603) 16.322 6.631 ( 12.494 1.826 -9.118) 15.575 6.737 ( 3.142 2.207 -2.356) 4.504 6.775 ( -0.398 1.421 -0.147) 1.483 6.873 ( -13.001 -4.758 -4.248) 14.482 7.067 ( 16.400 -10.131 8.904) 21.234 7.137 ( -3.563 1.239 -2.055) 4.295 7.164 ( 1.760 -4.237 0.002) 4.588 7.258 ( -6.662 -4.431 -4.449) 9.155 7.342 ( 2.539 -2.412 1.857) 3.965 7.390 ( 1.973 -0.110 2.015) 2.823 7.449 ( 4.790 -2.815 3.748) 6.702 7.631 ( -3.291 5.989 1.626) 7.025 7.811 ( 6.573 8.757 -2.323) 11.194 7.882 ( -0.464 2.344 3.321) 4.092 8.056 ( 2.272 -3.361 3.605) 5.427 8.117 ( -7.576 -7.785 -9.160) 14.210 8.293 ( 7.974 -1.917 0.784) 8.239 9.022 ( 5.735 -3.814 7.342) 10.067 9.113 ( -1.521 -10.591 0.067) 10.700 9.296 ( -4.530 -4.457 -1.593) 6.551 9.457 ( 2.194 1.635 3.221) 4.227 9.987 ( -2.282 -0.345 -6.974) 7.346 10.125 ( -12.858 -2.436 -3.672) 13.592 10.314 ( 0.140 0.397 -2.236) 2.275 10.331 ( 8.719 2.642 1.400) 9.217 12.292 ( -0.484 -1.794 -0.830) 2.035 12.841 ( -2.703 -0.456 -3.465) 4.418 13.407 ( -5.560 15.908 -2.858) 17.093 13.545 ( 1.845 9.180 0.224) 9.366 14.115 ( -3.945 -0.081 -3.022) 4.970 14.210 ( -8.736 -4.452 -3.144) 10.296 14.397 ( 15.837 5.251 7.557) 18.316 14.579 ( -4.788 -8.697 7.344) 12.349 14.864 ( -4.254 -1.094 18.652) 19.162 14.922 ( -4.260 -3.086 10.094) 11.383 15.015 ( -1.549 -0.523 2.420) 2.920 15.186 ( 0.798 3.995 1.201) 4.247 15.293 ( -0.439 7.268 3.519) 8.087 15.511 ( -17.217 -0.299 -11.258) 20.573 15.530 ( 16.255 5.748 1.708) 17.326 15.793 ( 16.528 -2.006 -23.906) 29.132 15.834 ( 0.454 5.011 -4.114) 6.499 16.179 ( -0.122 27.335 0.793) 27.347 16.439 ( -0.933 15.927 0.099) 15.955 16.580 ( -0.092 15.098 -1.464) 15.169 16.673 ( -2.251 4.258 1.750) 5.125 16.879 ( 5.079 2.617 -14.476) 15.562 16.996 ( -3.417 3.673 10.175) 11.344 17.405 ( 0.549 -16.475 -0.932) 16.510 17.466 ( -4.331 2.314 -9.472) 10.669 17.561 ( -2.546 -2.557 9.207) 9.889 17.739 ( -1.805 -12.867 -0.199) 12.995 17.925 ( -1.614 -1.550 0.833) 2.387 18.373 ( -11.931 -33.830 3.801) 36.073 19.116 ( 15.132 -13.408 -16.479) 26.083 19.210 ( -1.103 1.266 10.994) 11.121 19.577 ( 0.295 2.568 -2.452) 3.563 20.419 ( 1.061 -2.616 -1.265) 3.094 21.018 ( 0.804 -1.337 1.342) 2.058 21.280 ( -2.666 0.686 -1.243) 3.020 21.409 ( 2.612 0.126 2.199) 3.417 21.516 ( 3.483 -3.328 2.692) 5.519 21.654 ( -1.223 -6.143 -1.418) 6.422 21.950 ( -4.181 2.259 3.172) 5.713 22.211 ( 2.689 2.245 0.032) 3.503 ======================= Grid point 235 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 9.773 -1.854 -17.864) 20.447 2.013 ( -9.677 -5.982 3.905) 12.028 2.862 ( -1.922 -13.516 6.390) 15.074 3.039 ( -2.297 -17.590 -3.673) 18.116 3.163 ( -0.001 -15.622 2.270) 15.786 3.198 ( -5.782 -17.889 1.775) 18.884 3.273 ( 0.391 -20.162 -0.679) 20.177 3.375 ( 2.153 -16.052 -4.344) 16.769 3.532 ( 4.807 -9.268 8.587) 13.518 3.756 ( -15.972 -22.466 -7.231) 28.497 4.035 ( -12.401 -3.112 -4.301) 13.489 4.383 ( 1.110 4.751 -0.713) 4.930 4.509 ( 1.767 3.215 -3.638) 5.166 4.667 ( 27.292 -2.052 12.816) 30.221 4.964 ( -10.900 -6.262 13.683) 18.581 5.168 ( -13.959 -1.941 -7.304) 15.873 5.284 ( -3.659 19.237 0.390) 19.585 5.342 ( -9.594 -1.802 19.030) 21.388 5.505 ( -0.034 7.869 7.173) 10.648 5.588 ( 8.026 6.938 1.676) 10.741 5.662 ( -5.153 18.227 -0.299) 18.944 5.833 ( 12.341 -0.221 -5.031) 13.329 5.936 ( 6.487 6.660 -0.974) 9.348 6.062 ( 4.189 7.431 -3.713) 9.304 6.140 ( 7.764 1.610 8.293) 11.473 6.603 ( -0.459 3.856 -6.653) 7.703 6.714 ( 2.479 4.069 -2.750) 5.501 6.720 ( 0.635 4.343 -0.165) 4.393 6.931 ( 3.976 -0.536 1.811) 4.402 7.002 ( -9.022 6.437 -3.577) 11.645 7.142 ( -9.914 -2.938 -12.872) 16.511 7.227 ( -10.324 -0.725 -5.104) 11.540 7.288 ( 5.095 -0.157 0.113) 5.098 7.341 ( -1.192 6.546 -3.436) 7.489 7.468 ( -2.547 -0.140 5.330) 5.909 7.494 ( 7.771 6.299 3.706) 10.668 7.689 ( 13.024 -10.533 -2.425) 16.925 7.782 ( 3.245 -4.631 0.801) 5.711 7.840 ( 1.791 2.345 1.323) 3.234 8.138 ( -1.354 -4.293 -4.930) 6.676 8.186 ( 6.104 -7.198 5.635) 10.992 8.531 ( 18.528 -7.407 9.399) 22.057 9.027 ( -6.363 3.751 -6.394) 9.769 9.251 ( -2.919 -4.214 0.565) 5.157 9.353 ( -5.934 -10.019 0.193) 11.646 9.490 ( 1.897 2.820 2.845) 4.432 9.930 ( -8.096 0.834 -7.622) 11.151 10.112 ( -2.008 -4.562 -1.113) 5.107 10.304 ( -1.047 0.260 -2.769) 2.972 10.383 ( 6.764 -0.738 1.853) 7.052 12.345 ( 1.452 -3.202 1.278) 3.741 12.784 ( -10.913 2.210 -5.922) 12.611 12.992 ( -6.848 18.152 -2.192) 19.525 13.391 ( 4.517 9.425 0.338) 10.456 14.008 ( -9.510 5.384 -2.637) 11.242 14.230 ( 2.195 -0.798 -0.842) 2.483 14.451 ( 15.276 4.508 9.366) 18.477 14.615 ( -8.577 1.710 16.313) 18.510 14.730 ( -1.262 8.444 3.049) 9.066 14.969 ( -5.137 -5.717 9.649) 12.336 15.110 ( -0.808 2.295 9.263) 9.577 15.127 ( 1.933 -2.813 -0.935) 3.538 15.201 ( 3.884 2.210 -2.020) 4.904 15.345 ( -18.095 -0.458 -10.486) 20.919 15.448 ( 5.261 21.193 1.045) 21.861 15.596 ( 7.143 12.258 -1.209) 14.238 15.751 ( 6.759 14.644 -4.560) 16.761 15.993 ( 15.306 -4.286 -19.558) 25.203 16.251 ( -3.745 3.027 6.862) 8.383 16.472 ( -1.253 -4.266 -5.616) 7.163 16.569 ( -4.679 4.378 3.233) 7.177 16.897 ( -1.090 0.876 -4.755) 4.957 16.958 ( 1.839 -1.269 2.003) 3.001 17.373 ( -2.541 2.770 -8.660) 9.441 17.498 ( -4.145 2.230 12.864) 13.698 17.778 ( -1.322 -16.261 -1.355) 16.371 17.893 ( 1.918 -4.584 0.593) 5.005 17.972 ( -0.987 -8.613 -6.047) 10.570 18.833 ( -11.892 -17.885 -2.252) 21.595 19.077 ( -8.299 -2.408 4.190) 9.603 19.434 ( -1.060 4.680 -5.369) 7.201 19.670 ( 19.834 -13.722 2.783) 24.278 20.544 ( 4.415 -8.698 -0.811) 9.788 21.024 ( 0.171 1.183 -0.005) 1.196 21.235 ( -3.997 0.443 -1.592) 4.326 21.447 ( 6.972 0.945 4.627) 8.421 21.622 ( -0.822 -6.122 -3.867) 7.288 21.787 ( -2.284 -4.761 2.387) 5.795 21.856 ( -3.471 0.178 2.049) 4.035 22.183 ( 2.992 3.234 -0.114) 4.407 ======================= Grid point 236 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 4.506 2.003 -6.560) 8.207 2.069 ( -5.626 -7.720 -4.091) 10.392 2.958 ( -8.707 -5.660 7.171) 12.620 3.105 ( -5.726 0.083 10.660) 12.101 3.386 ( 3.368 -8.953 -8.168) 12.579 3.466 ( 1.837 -12.305 0.095) 12.442 3.639 ( 0.757 -11.658 -2.164) 11.881 3.778 ( 3.327 -11.219 -1.752) 11.832 3.792 ( 4.658 -17.348 -9.508) 20.324 4.050 ( 5.060 -12.446 -0.641) 13.450 4.217 ( -5.140 -9.022 2.746) 10.740 4.389 ( -4.109 -11.167 0.494) 11.909 4.479 ( 1.005 -7.856 0.817) 7.962 4.846 ( -2.315 -1.918 1.678) 3.443 4.882 ( -2.821 11.564 0.355) 11.908 5.002 ( -7.250 -2.148 7.250) 10.476 5.070 ( -6.944 13.295 -1.893) 15.118 5.110 ( -11.005 11.226 1.368) 15.780 5.287 ( -2.503 9.683 6.829) 12.110 5.375 ( -6.414 -4.615 15.429) 17.335 5.508 ( 1.430 8.503 0.529) 8.639 5.861 ( 8.594 4.274 -2.443) 9.904 6.099 ( 19.046 -5.906 6.070) 20.844 6.175 ( 17.297 1.781 9.500) 19.814 6.221 ( 12.837 -4.822 3.051) 14.048 6.521 ( -1.603 3.894 -1.360) 4.425 6.600 ( 0.712 10.055 -0.717) 10.106 6.610 ( 0.150 7.216 5.954) 9.356 6.797 ( -4.855 8.718 -5.704) 11.494 6.872 ( 1.632 9.322 0.859) 9.503 7.036 ( 1.058 6.537 -6.846) 9.525 7.125 ( -21.085 -2.002 -19.546) 28.821 7.152 ( -7.352 -0.277 -1.084) 7.437 7.319 ( 3.623 0.637 -2.557) 4.480 7.435 ( -3.318 -0.818 1.542) 3.749 7.497 ( -4.387 -0.626 -5.973) 7.438 7.741 ( -8.950 2.563 -4.086) 10.167 7.894 ( 1.317 -3.324 -0.118) 3.577 8.003 ( 15.013 -6.551 4.527) 16.994 8.326 ( 12.913 -9.222 3.378) 16.223 8.437 ( 13.625 -8.867 6.162) 17.385 8.822 ( 2.831 1.723 -5.526) 6.444 8.864 ( 3.378 -3.764 5.290) 7.319 9.270 ( 4.346 4.050 8.809) 10.625 9.308 ( -14.984 7.524 -3.543) 17.138 9.461 ( -8.114 -6.703 -4.368) 11.395 9.867 ( -4.485 -0.164 -7.211) 8.493 10.192 ( 5.523 -0.874 -0.761) 5.644 10.286 ( -1.691 0.200 -3.448) 3.845 10.469 ( 2.555 -3.458 0.904) 4.393 12.382 ( -9.505 1.648 -1.077) 9.707 12.529 ( 2.286 7.468 0.796) 7.850 12.794 ( -6.299 1.977 -4.446) 7.960 13.294 ( 4.188 4.947 -0.016) 6.482 13.794 ( -6.944 7.719 -1.317) 10.466 14.232 ( 0.730 3.064 -0.603) 3.207 14.438 ( 14.937 7.322 7.868) 18.402 14.549 ( 0.210 8.982 0.508) 8.999 14.605 ( 1.164 -3.792 12.043) 12.680 14.874 ( -9.234 11.385 2.987) 14.961 15.033 ( -5.661 4.737 3.260) 8.069 15.091 ( -4.182 -4.730 12.856) 14.322 15.217 ( -9.853 -4.513 0.280) 10.841 15.277 ( 0.823 -1.018 -0.520) 1.409 15.344 ( 4.863 -4.396 -9.565) 11.596 15.500 ( 7.180 8.929 -3.300) 11.923 15.604 ( 10.048 9.945 -4.032) 14.701 16.176 ( 2.573 0.143 -2.332) 3.475 16.208 ( 5.873 -3.488 -6.536) 9.454 16.431 ( -5.460 5.005 2.226) 7.734 16.587 ( -5.742 -6.348 -3.911) 9.411 16.909 ( -5.015 -3.350 17.109) 18.141 16.999 ( 4.136 -3.312 -13.951) 14.923 17.326 ( 1.246 3.831 -9.030) 9.888 17.450 ( 0.882 -1.174 5.617) 5.806 17.830 ( -5.809 -1.211 1.711) 6.176 18.056 ( 6.241 -6.312 -7.253) 11.463 18.304 ( 4.307 -20.256 -2.123) 20.817 18.716 ( -13.851 7.495 1.282) 15.801 19.088 ( -10.341 6.195 -4.749) 12.956 19.381 ( 5.124 -2.690 3.536) 6.782 20.066 ( 8.140 -13.221 2.027) 15.657 20.746 ( 5.156 -3.497 1.524) 6.413 21.046 ( 5.016 -5.492 -1.529) 7.594 21.201 ( -2.583 0.233 -0.095) 2.596 21.488 ( 7.635 1.915 7.036) 10.558 21.633 ( -10.155 5.934 1.313) 11.835 21.713 ( -5.298 -4.031 -7.994) 10.403 21.984 ( 1.927 -5.950 2.512) 6.739 22.153 ( 2.975 2.405 -0.044) 3.826 ======================= Grid point 242 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 9.978 0.000 -23.675) 25.691 1.764 ( -15.603 -0.000 8.154) 17.605 2.019 ( -14.424 -0.000 3.968) 14.960 2.321 ( 11.534 0.000 -1.444) 11.624 2.757 ( -15.753 -0.000 -9.821) 18.564 2.858 ( 3.130 0.000 -2.388) 3.937 2.928 ( -3.326 -0.000 3.630) 4.923 3.266 ( 17.396 0.000 7.120) 18.797 3.341 ( -10.599 -0.000 1.535) 10.709 3.515 ( -19.909 -0.000 2.069) 20.016 3.981 ( 3.959 0.000 -1.719) 4.316 4.514 ( 8.431 0.000 -3.672) 9.196 4.581 ( 0.358 0.000 -0.303) 0.469 4.739 ( -17.152 -0.000 21.726) 27.680 4.785 ( 26.551 0.000 14.033) 30.031 5.093 ( -22.268 -0.000 -18.547) 28.981 5.284 ( -10.931 -0.000 24.410) 26.746 5.581 ( 4.181 0.000 5.505) 6.913 5.614 ( 12.749 0.000 -11.599) 17.236 5.727 ( 24.683 0.000 10.864) 26.968 5.885 ( -4.593 -0.000 0.846) 4.671 5.896 ( -6.383 -0.000 -4.616) 7.878 6.205 ( 5.198 0.000 3.820) 6.450 6.362 ( -8.617 -0.000 -5.853) 10.416 6.491 ( -30.487 -0.000 -23.940) 38.763 6.573 ( 4.532 0.000 1.146) 4.675 6.752 ( 13.745 0.000 -14.652) 20.090 6.756 ( -0.170 -0.000 0.491) 0.519 6.797 ( 2.285 0.000 -3.472) 4.157 7.111 ( -3.256 -0.000 -0.071) 3.257 7.141 ( 1.762 0.000 2.831) 3.334 7.181 ( -2.076 -0.000 -4.694) 5.133 7.241 ( 23.425 0.000 13.933) 27.255 7.393 ( -2.760 -0.000 4.943) 5.661 7.409 ( 16.261 0.000 8.448) 18.325 7.418 ( 2.660 0.000 0.830) 2.786 7.711 ( -0.226 -0.000 2.664) 2.674 7.825 ( -11.286 -0.000 -6.686) 13.117 7.902 ( -5.213 -0.000 -0.750) 5.267 8.003 ( 8.677 0.000 -4.429) 9.742 8.085 ( 5.396 0.000 1.638) 5.640 8.395 ( 16.701 0.000 8.028) 18.530 8.892 ( -7.869 -0.000 -3.885) 8.776 9.094 ( 7.469 0.000 2.762) 7.963 9.161 ( -15.989 -0.000 -11.183) 19.512 9.536 ( 10.340 0.000 11.662) 15.586 9.962 ( -2.166 -0.000 -5.103) 5.544 9.973 ( -16.496 -0.000 -4.242) 17.032 10.306 ( -1.194 -0.000 -2.072) 2.391 10.437 ( 7.890 0.000 1.303) 7.997 12.277 ( 1.144 0.000 1.374) 1.788 12.789 ( -7.879 -0.000 -6.169) 10.007 13.530 ( -6.791 -0.000 -0.789) 6.837 13.639 ( -0.176 -0.000 -0.098) 0.201 13.992 ( -15.216 -0.000 -5.372) 16.137 14.140 ( 0.210 0.000 -2.486) 2.495 14.429 ( -4.800 -0.000 9.733) 10.852 14.648 ( 23.596 0.000 10.244) 25.723 14.804 ( -2.579 -0.000 15.332) 15.548 14.866 ( -3.785 -0.000 12.551) 13.109 14.996 ( -2.848 -0.000 -0.918) 2.993 15.246 ( 0.866 0.000 2.112) 2.283 15.333 ( -19.480 -0.000 -13.870) 23.913 15.386 ( 3.992 0.000 6.736) 7.830 15.734 ( 14.886 0.000 8.425) 17.105 15.880 ( 0.255 0.000 -3.869) 3.877 15.887 ( 14.951 0.000 -29.671) 33.225 16.354 ( -0.729 -0.000 -2.617) 2.717 16.667 ( -3.587 -0.000 -0.213) 3.593 16.696 ( -9.342 -0.000 1.937) 9.540 16.804 ( 4.423 0.000 -2.044) 4.873 16.982 ( -1.865 -0.000 -0.437) 1.916 17.195 ( -1.101 -0.000 -0.741) 1.327 17.236 ( 1.341 0.000 0.828) 1.577 17.405 ( 7.234 0.000 -6.232) 9.548 17.469 ( -3.315 -0.000 -7.280) 7.999 17.571 ( 0.244 0.000 -0.161) 0.292 17.761 ( -20.632 -0.000 20.284) 28.933 17.908 ( -0.638 -0.000 0.013) 0.639 19.063 ( -6.630 -0.000 -7.019) 9.655 19.262 ( 17.740 0.000 -0.664) 17.753 19.609 ( 3.079 0.000 -1.167) 3.293 20.406 ( 1.128 0.000 -2.177) 2.452 21.007 ( 0.617 0.000 0.302) 0.687 21.247 ( -5.050 -0.000 -1.839) 5.374 21.438 ( 3.167 0.000 3.674) 4.851 21.528 ( 3.898 0.000 -1.518) 4.183 21.591 ( 1.534 0.000 2.455) 2.894 21.932 ( -5.301 -0.000 3.412) 6.304 22.255 ( 2.343 0.000 -0.868) 2.499 ======================= Grid point 243 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.948 -4.108 -17.174) 17.684 1.865 ( -0.517 -3.629 7.886) 8.697 2.238 ( -11.131 -41.014 5.038) 42.796 2.651 ( -0.383 -21.549 -3.877) 21.898 2.774 ( -5.346 -17.250 -7.689) 19.628 2.881 ( -8.724 -2.432 5.655) 10.677 2.985 ( 1.398 -9.055 -0.158) 9.164 3.246 ( -9.238 -0.611 12.367) 15.448 3.465 ( 0.345 -4.806 -16.984) 17.654 3.467 ( 11.484 -5.196 6.374) 14.125 3.975 ( -2.774 1.116 -3.547) 4.640 4.442 ( -7.448 5.399 3.454) 9.826 4.532 ( -3.315 0.844 -2.817) 4.431 4.722 ( -14.020 -7.900 18.412) 24.453 4.936 ( -13.247 -2.670 -14.704) 19.970 5.044 ( 31.249 4.877 12.467) 33.996 5.244 ( -2.184 -1.477 23.303) 23.452 5.554 ( -2.870 5.315 6.728) 9.042 5.665 ( -1.433 10.431 -4.038) 11.277 5.700 ( -1.518 4.951 -6.900) 8.627 5.842 ( 6.071 1.575 -0.535) 6.295 6.012 ( 17.079 -3.220 8.164) 19.202 6.058 ( -5.344 9.290 -9.964) 14.633 6.142 ( -16.762 9.835 -15.134) 24.632 6.327 ( 11.892 3.677 13.447) 18.324 6.591 ( -2.386 1.066 -8.337) 8.737 6.745 ( -1.472 0.585 0.497) 1.660 6.785 ( -0.006 2.049 -1.392) 2.477 6.934 ( 8.118 -5.234 -7.039) 11.952 7.044 ( -3.472 6.353 -1.654) 7.427 7.087 ( -1.386 0.927 -3.750) 4.104 7.195 ( -0.045 2.012 -3.004) 3.616 7.326 ( -3.105 -1.106 1.296) 3.542 7.354 ( 4.506 1.500 0.939) 4.841 7.444 ( -3.476 0.954 -0.050) 3.605 7.652 ( 12.757 -4.492 8.274) 15.855 7.688 ( 15.549 -3.368 1.633) 15.993 7.787 ( -6.012 2.937 -6.234) 9.146 7.934 ( 6.307 6.641 0.441) 9.169 8.071 ( 11.588 -6.312 5.375) 14.248 8.157 ( 9.487 -3.577 5.773) 11.668 8.561 ( 12.593 -3.614 5.466) 14.196 8.965 ( -12.749 -13.525 -6.542) 19.705 8.981 ( -16.133 0.217 -11.675) 19.916 9.206 ( 3.257 -4.430 -4.583) 7.158 9.600 ( 4.892 3.652 7.231) 9.463 9.830 ( -12.869 -0.856 -4.117) 13.539 9.988 ( -0.875 -4.990 -0.857) 5.138 10.296 ( -1.104 -0.136 -1.704) 2.035 10.470 ( 5.339 2.395 0.584) 5.881 12.309 ( 0.920 -1.886 2.756) 3.464 12.703 ( -10.716 0.251 -6.406) 12.487 13.254 ( -9.635 16.912 0.242) 19.465 13.580 ( 1.555 6.565 -0.176) 6.749 13.952 ( -8.954 -3.843 -1.850) 9.918 14.167 ( -0.753 -3.829 -1.773) 4.286 14.480 ( -6.460 -6.880 15.361) 18.028 14.704 ( 12.748 5.998 9.527) 17.007 14.833 ( 0.874 3.699 7.778) 8.657 14.862 ( -2.357 -1.006 9.406) 9.749 15.053 ( 7.308 -6.703 -4.010) 10.696 15.148 ( -14.539 2.688 -6.535) 16.165 15.193 ( -6.229 2.440 -0.146) 6.691 15.385 ( 6.856 6.180 5.715) 10.856 15.786 ( 12.893 6.815 0.639) 14.597 15.833 ( -0.508 5.398 -2.120) 5.821 16.029 ( 11.477 -1.137 -19.575) 22.720 16.182 ( 0.917 20.002 -0.430) 20.027 16.403 ( -2.865 14.603 -1.700) 14.978 16.562 ( -1.905 17.451 -1.116) 17.590 16.604 ( -5.670 5.847 -0.671) 8.172 16.913 ( -4.638 3.384 10.041) 11.566 16.967 ( 4.320 1.243 -10.571) 11.487 17.402 ( -0.830 2.286 -6.060) 6.530 17.423 ( 1.484 -16.516 0.090) 16.582 17.515 ( -3.983 -0.317 10.864) 11.575 17.714 ( -0.926 -13.393 -0.538) 13.435 17.891 ( -2.321 -0.039 1.296) 2.659 18.205 ( -6.950 -36.469 -3.754) 37.315 18.952 ( -16.993 0.037 4.337) 17.538 19.459 ( 8.055 -2.404 -6.729) 10.767 19.698 ( 16.965 -4.058 2.524) 17.625 20.456 ( 4.074 -4.468 -3.449) 6.961 21.024 ( -0.132 -0.808 -1.142) 1.405 21.208 ( -3.477 -0.131 -0.097) 3.481 21.480 ( 1.291 -2.443 -0.351) 2.785 21.573 ( 4.694 -1.013 -0.624) 4.843 21.663 ( 1.489 -5.078 3.444) 6.314 21.858 ( -5.794 2.687 2.897) 7.013 22.251 ( 1.457 2.023 -1.065) 2.711 ======================= Grid point 244 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 5.391 -4.687 -21.136) 22.311 1.883 ( -5.908 -3.624 16.503) 17.899 2.798 ( -6.780 -4.237 11.551) 14.048 2.968 ( -2.167 -19.465 -2.602) 19.757 3.090 ( -4.492 -21.584 0.875) 22.064 3.222 ( 1.275 -30.580 4.896) 30.996 3.232 ( -2.193 -24.249 2.144) 24.442 3.414 ( 3.034 -27.078 -5.658) 27.828 3.587 ( 1.065 -8.345 -14.706) 16.942 3.682 ( 7.302 -7.235 3.230) 10.775 3.929 ( 0.854 0.149 -7.079) 7.132 4.313 ( -8.121 1.214 8.157) 11.574 4.476 ( -5.670 0.032 0.143) 5.672 4.768 ( -12.117 -9.122 16.379) 22.323 4.911 ( -10.472 -5.570 -10.100) 15.578 5.053 ( 10.783 13.751 9.359) 19.823 5.223 ( -3.374 20.484 0.626) 20.769 5.312 ( 2.271 -0.607 10.368) 10.631 5.433 ( -10.320 8.598 6.123) 14.762 5.486 ( -8.405 25.404 -3.478) 26.983 5.611 ( -5.911 3.878 -7.169) 10.068 5.933 ( -9.606 -0.474 -15.976) 18.648 6.178 ( 24.167 -7.428 3.714) 25.554 6.264 ( 21.711 -2.262 10.489) 24.218 6.394 ( 14.443 4.131 12.875) 19.784 6.528 ( -1.588 2.005 -5.010) 5.626 6.708 ( -3.035 4.048 1.404) 5.250 6.718 ( -0.058 2.754 4.608) 5.369 6.821 ( -8.699 6.877 -10.682) 15.397 6.975 ( -2.486 2.794 -2.025) 4.253 7.081 ( 0.715 5.493 -5.810) 8.027 7.123 ( 0.816 0.508 1.479) 1.764 7.331 ( -1.290 4.036 -1.976) 4.675 7.350 ( 0.983 1.307 -2.866) 3.299 7.415 ( 4.216 2.485 -0.148) 4.896 7.561 ( -0.874 12.942 -1.977) 13.121 7.715 ( -3.595 4.026 1.323) 5.558 7.899 ( 9.821 -2.482 0.554) 10.145 8.008 ( 16.102 -6.946 5.190) 18.288 8.258 ( 13.329 -8.981 -1.751) 16.168 8.424 ( 9.803 -4.665 7.652) 13.282 8.762 ( -4.782 -6.022 1.282) 7.796 8.821 ( 1.294 -3.809 -6.029) 7.248 9.144 ( -14.201 -13.062 -6.294) 20.295 9.264 ( -3.817 -0.481 -6.880) 7.883 9.449 ( -5.468 7.493 2.157) 9.523 9.795 ( -4.694 -1.494 -3.614) 6.109 10.139 ( 2.805 -8.019 -1.921) 8.710 10.294 ( 0.432 -0.178 -1.631) 1.697 10.456 ( 1.257 1.390 -0.728) 2.010 12.314 ( -8.944 -0.203 1.203) 9.027 12.620 ( -0.619 1.159 0.619) 1.453 12.891 ( -4.081 13.398 -0.475) 14.014 13.455 ( 2.549 8.084 -1.321) 8.579 13.880 ( -5.273 5.148 0.538) 7.389 14.244 ( -0.742 -2.843 -0.588) 2.997 14.501 ( -4.713 -1.862 15.204) 16.027 14.708 ( 9.263 5.582 5.262) 12.027 14.729 ( 0.852 7.365 1.679) 7.602 14.874 ( -8.031 -2.676 1.385) 8.577 15.001 ( -12.689 -1.334 -0.702) 12.778 15.062 ( -5.707 3.496 4.016) 7.805 15.194 ( 4.673 7.271 1.743) 8.817 15.343 ( 10.523 -0.493 -1.360) 10.622 15.519 ( 4.221 22.988 2.585) 23.515 15.733 ( 7.039 9.022 -3.751) 12.042 15.851 ( 4.244 9.699 -6.067) 12.202 16.181 ( -3.665 1.989 5.927) 7.247 16.206 ( 8.561 -1.774 -10.170) 13.411 16.441 ( -1.447 -2.977 -4.482) 5.572 16.471 ( -5.909 3.488 -2.225) 7.214 16.839 ( -5.095 0.378 13.366) 14.309 17.000 ( 4.077 0.029 -9.470) 10.310 17.401 ( 6.789 0.531 -13.009) 14.683 17.441 ( -3.789 1.427 11.561) 12.250 17.734 ( -3.535 -6.332 1.549) 7.416 17.927 ( 1.431 -10.739 -2.301) 11.076 17.967 ( 1.181 -15.822 -2.081) 16.002 18.611 ( -14.016 -7.789 -0.412) 16.040 18.865 ( -13.926 -11.731 -1.655) 18.283 19.465 ( 3.341 3.364 0.552) 4.773 19.966 ( 12.296 -6.802 3.444) 14.468 20.684 ( 12.321 -11.135 -1.548) 16.679 21.015 ( -0.925 0.460 -2.508) 2.713 21.199 ( 0.459 -0.417 2.945) 3.009 21.541 ( -0.933 -3.349 -4.122) 5.392 21.629 ( 6.378 0.499 2.112) 6.737 21.672 ( -8.525 4.353 1.225) 9.651 21.853 ( -0.472 -7.624 1.086) 7.715 22.213 ( 0.267 2.546 -0.744) 2.666 ======================= Grid point 251 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -11.070 -0.000 14.756) 18.447 1.652 ( -6.710 -0.000 -5.369) 8.593 1.893 ( 0.982 0.000 -0.860) 1.305 2.422 ( -10.044 -0.000 -11.113) 14.980 2.567 ( 5.345 0.000 -2.485) 5.894 2.780 ( -11.698 -0.000 11.807) 16.621 2.922 ( 3.452 0.000 -2.066) 4.023 3.177 ( -5.066 -0.000 7.132) 8.748 3.446 ( 5.511 0.000 -17.370) 18.224 3.541 ( 13.425 0.000 5.880) 14.656 3.983 ( 1.152 0.000 -2.756) 2.987 4.453 ( -11.892 -0.000 6.628) 13.614 4.462 ( -16.260 -0.000 22.994) 28.163 4.499 ( -7.616 -0.000 0.075) 7.617 4.754 ( -14.489 -0.000 -19.107) 23.980 5.250 ( 3.062 0.000 12.947) 13.304 5.430 ( 32.481 0.000 9.412) 33.817 5.538 ( -10.851 -0.000 6.078) 12.438 5.716 ( -21.893 -0.000 -14.503) 26.261 5.737 ( 3.884 0.000 -11.596) 12.229 5.798 ( -2.940 -0.000 -2.179) 3.660 5.995 ( 1.765 0.000 -9.613) 9.774 6.131 ( 0.452 0.000 0.196) 0.492 6.280 ( 17.183 0.000 7.821) 18.879 6.487 ( 16.625 0.000 24.461) 29.576 6.641 ( 3.261 0.000 -0.684) 3.332 6.725 ( -3.542 -0.000 1.041) 3.692 6.822 ( 0.770 0.000 -1.361) 1.563 6.853 ( -8.859 -0.000 -19.234) 21.176 7.008 ( -7.004 -0.000 -0.590) 7.029 7.198 ( 6.841 0.000 -12.079) 13.881 7.215 ( 5.366 0.000 4.100) 6.753 7.296 ( -6.107 -0.000 -1.197) 6.223 7.334 ( -3.805 -0.000 3.399) 5.102 7.506 ( 6.439 0.000 0.922) 6.505 7.734 ( 12.661 0.000 7.066) 14.499 7.779 ( 6.477 0.000 6.049) 8.863 7.797 ( 13.960 0.000 -3.196) 14.321 8.078 ( 21.416 0.000 17.464) 27.634 8.119 ( 5.190 0.000 -6.283) 8.149 8.236 ( 11.383 0.000 2.550) 11.665 8.612 ( 3.855 0.000 -0.395) 3.875 8.647 ( -17.373 -0.000 -9.141) 19.631 8.820 ( -21.121 -0.000 -12.848) 24.722 9.186 ( 1.338 0.000 -14.479) 14.541 9.615 ( -15.635 -0.000 -4.292) 16.213 9.776 ( 7.207 0.000 11.959) 13.963 9.922 ( -3.228 -0.000 -2.864) 4.315 10.283 ( -0.997 -0.000 -1.036) 1.437 10.529 ( 2.390 0.000 -0.509) 2.444 12.283 ( -4.136 -0.000 2.269) 4.718 12.629 ( -4.626 -0.000 -3.105) 5.571 13.371 ( -10.428 -0.000 5.862) 11.963 13.636 ( -0.011 -0.000 0.290) 0.290 13.797 ( -6.136 -0.000 -1.450) 6.305 14.117 ( -1.910 -0.000 -1.832) 2.647 14.370 ( -3.022 -0.000 12.358) 12.722 14.801 ( 1.367 0.000 6.368) 6.513 14.816 ( -2.736 -0.000 13.978) 14.243 14.957 ( -19.674 -0.000 -13.937) 24.110 14.976 ( 1.082 0.000 -6.676) 6.763 15.096 ( 23.322 0.000 9.918) 25.344 15.240 ( -2.241 -0.000 5.403) 5.850 15.508 ( 8.383 0.000 6.598) 10.668 15.874 ( -1.150 -0.000 -1.413) 1.822 15.957 ( 10.195 0.000 5.490) 11.579 16.099 ( 10.817 0.000 -21.358) 23.941 16.321 ( -2.541 -0.000 -4.653) 5.302 16.520 ( -10.277 -0.000 1.700) 10.416 16.567 ( -7.818 -0.000 -1.959) 8.059 16.839 ( -1.947 -0.000 11.550) 11.713 17.005 ( 6.468 0.000 -11.427) 13.130 17.180 ( -0.477 -0.000 -0.427) 0.640 17.256 ( 0.679 0.000 0.456) 0.818 17.396 ( -7.382 -0.000 6.178) 9.626 17.492 ( -1.466 -0.000 6.909) 7.062 17.540 ( 2.498 0.000 -12.561) 12.807 17.576 ( 0.445 0.000 -0.256) 0.513 17.895 ( -0.869 -0.000 0.179) 0.887 18.792 ( -20.528 -0.000 6.138) 21.426 19.496 ( 4.705 0.000 -4.364) 6.417 19.809 ( 19.073 0.000 0.486) 19.079 20.449 ( 5.324 0.000 -5.835) 7.899 21.012 ( 0.122 0.000 -1.793) 1.797 21.175 ( -2.854 -0.000 1.003) 3.025 21.456 ( -0.468 -0.000 -1.140) 1.232 21.543 ( -2.236 -0.000 -0.929) 2.422 21.694 ( 7.901 0.000 4.606) 9.146 21.838 ( -5.214 -0.000 2.624) 5.837 22.278 ( 0.155 0.000 -1.806) 1.812 ======================= Grid point 252 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 5.236 -7.333 11.053) 14.260 1.875 ( -1.555 1.867 -5.209) 5.748 2.054 ( -8.352 -51.904 11.386) 53.790 2.502 ( -10.059 -20.069 -12.737) 25.811 2.709 ( -5.043 -1.378 10.175) 11.439 2.847 ( 6.538 -19.063 -0.748) 20.167 3.034 ( 2.364 -9.300 -1.003) 9.648 3.172 ( -0.810 -2.702 3.313) 4.352 3.524 ( 4.763 -4.009 -15.551) 16.751 3.676 ( 9.779 -2.800 4.671) 11.193 3.987 ( 4.876 2.079 -2.586) 5.897 4.275 ( -9.804 2.712 14.351) 17.590 4.394 ( -10.935 -1.134 8.250) 13.745 4.498 ( -12.148 -7.533 11.890) 18.593 4.698 ( -8.859 -5.430 -18.117) 20.885 5.263 ( -4.539 0.947 3.000) 5.523 5.331 ( -21.398 2.379 -5.472) 22.214 5.503 ( 8.656 8.815 -1.218) 12.415 5.542 ( -6.373 5.405 -3.327) 8.995 5.614 ( -1.912 14.375 -0.532) 14.512 5.788 ( -3.778 1.840 -12.116) 12.824 5.881 ( -7.179 16.359 -5.261) 18.623 6.243 ( 26.974 -8.260 9.040) 29.623 6.474 ( 22.749 1.127 11.198) 25.381 6.572 ( 2.887 4.945 -0.562) 5.754 6.629 ( 6.772 2.779 7.182) 10.255 6.701 ( -6.540 0.691 -1.132) 6.673 6.744 ( 3.314 -0.161 8.493) 9.118 6.828 ( -4.658 1.198 -6.005) 7.694 6.960 ( -4.186 -1.237 1.054) 4.490 7.176 ( -1.134 3.929 -0.400) 4.109 7.202 ( 5.377 5.094 2.909) 7.957 7.309 ( -3.185 -0.836 2.315) 4.026 7.374 ( 9.716 -3.705 -4.138) 11.192 7.520 ( 6.847 3.060 -0.813) 7.544 7.739 ( 2.669 8.221 4.123) 9.576 7.861 ( 11.363 -3.024 4.944) 12.756 7.999 ( 4.923 9.315 -4.529) 11.468 8.062 ( 18.603 -3.454 0.905) 18.943 8.258 ( 6.814 -0.224 -2.788) 7.366 8.412 ( 10.798 -6.631 7.513) 14.731 8.593 ( -13.065 -2.306 -4.611) 14.046 8.701 ( -11.228 -11.038 -7.808) 17.575 8.730 ( -4.588 -12.911 -5.983) 14.951 9.196 ( -5.824 -2.108 -15.998) 17.156 9.435 ( -16.668 1.506 -7.208) 18.222 9.798 ( 0.662 2.888 4.334) 5.250 9.984 ( -0.683 -8.371 -0.265) 8.403 10.282 ( -0.225 -0.566 -0.829) 1.029 10.508 ( -0.649 2.808 -1.955) 3.483 12.224 ( -9.968 -0.388 1.431) 10.078 12.643 ( 6.667 -0.449 2.951) 7.305 13.127 ( -4.581 13.761 5.683) 15.577 13.596 ( 0.365 5.052 -0.653) 5.107 13.842 ( -3.087 -4.677 2.017) 5.956 14.150 ( -0.797 -4.276 -0.751) 4.414 14.402 ( -3.535 -4.646 12.240) 13.561 14.740 ( -16.700 1.763 -8.841) 18.978 14.813 ( 0.773 0.606 4.073) 4.190 14.828 ( -1.320 -1.366 5.542) 5.858 14.958 ( 2.954 3.629 -4.639) 6.589 15.112 ( -5.536 7.861 6.194) 11.437 15.338 ( 19.893 -1.592 5.391) 20.672 15.526 ( 8.237 6.729 3.941) 11.343 15.806 ( -2.163 5.039 1.267) 5.629 15.968 ( 7.602 7.175 1.796) 10.607 16.124 ( 1.219 11.091 -4.100) 11.888 16.213 ( 0.653 2.955 -3.265) 4.452 16.345 ( -3.555 8.753 -3.233) 9.985 16.466 ( -8.955 2.706 -2.983) 9.820 16.539 ( -1.227 24.807 -0.768) 24.849 16.833 ( -2.902 2.813 7.796) 8.781 17.073 ( 8.121 2.017 -10.424) 13.367 17.405 ( -3.261 -2.118 8.481) 9.330 17.462 ( 0.468 -16.240 0.383) 16.251 17.489 ( 8.082 0.288 -8.012) 11.384 17.708 ( 0.461 -11.984 -1.738) 12.118 17.851 ( -2.265 1.678 1.355) 3.128 18.116 ( -3.572 -33.191 -5.333) 33.806 18.606 ( -22.603 -0.700 5.290) 23.224 19.519 ( 1.859 0.431 -0.308) 1.933 19.993 ( 11.900 -2.581 2.888) 12.515 20.598 ( 13.916 -8.745 -6.236) 17.579 21.017 ( -0.275 -0.050 -1.806) 1.827 21.178 ( -0.242 -2.045 2.539) 3.269 21.466 ( -1.532 -1.861 -3.351) 4.128 21.575 ( -5.789 -6.191 -1.133) 8.551 21.723 ( 1.241 2.935 2.913) 4.317 21.795 ( 1.716 0.938 3.148) 3.706 22.251 ( -1.416 2.026 -1.668) 2.982 ======================= Grid point 260 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -1.102 -0.000 20.795) 20.824 1.680 ( 7.778 0.000 26.559) 27.675 1.885 ( 0.402 0.000 -11.089) 11.096 2.168 ( -14.243 -0.000 -17.426) 22.506 2.685 ( 1.417 0.000 6.433) 6.587 2.727 ( 9.399 0.000 1.132) 9.467 2.950 ( -0.431 -0.000 -1.974) 2.020 3.151 ( 0.160 0.000 -0.289) 0.330 3.493 ( -1.803 -0.000 -10.624) 10.776 3.731 ( 7.862 0.000 4.547) 9.083 4.052 ( 3.558 0.000 3.604) 5.064 4.226 ( -12.322 -0.000 23.801) 26.801 4.273 ( -6.284 -0.000 11.091) 12.747 4.357 ( -6.162 -0.000 -4.979) 7.922 4.580 ( -3.673 -0.000 -21.157) 21.474 5.057 ( -27.715 -0.000 -13.598) 30.871 5.299 ( -0.418 -0.000 3.619) 3.643 5.465 ( -6.023 -0.000 -0.383) 6.035 5.718 ( -3.082 -0.000 -9.756) 10.231 5.735 ( -1.456 -0.000 -4.892) 5.104 5.784 ( -0.402 -0.000 -4.264) 4.283 6.012 ( -6.382 -0.000 -4.562) 7.845 6.436 ( 27.076 0.000 15.695) 31.296 6.519 ( -5.168 -0.000 -7.155) 8.827 6.615 ( 0.857 0.000 5.783) 5.846 6.673 ( 4.303 0.000 -1.087) 4.439 6.746 ( 13.417 0.000 5.413) 14.468 6.825 ( -0.133 -0.000 -0.125) 0.182 6.882 ( 20.436 0.000 25.021) 32.306 6.905 ( -3.183 -0.000 1.575) 3.551 7.217 ( -0.316 -0.000 2.559) 2.578 7.249 ( -3.817 -0.000 3.030) 4.873 7.356 ( 8.537 0.000 3.712) 9.309 7.387 ( 9.366 0.000 -4.024) 10.193 7.613 ( 5.235 0.000 0.297) 5.244 7.896 ( 11.210 0.000 2.134) 11.411 7.900 ( 5.780 0.000 7.757) 9.673 8.157 ( -1.316 -0.000 -8.129) 8.235 8.178 ( 16.642 0.000 -2.402) 16.814 8.208 ( -22.711 -0.000 -14.278) 26.826 8.431 ( 12.048 0.000 7.743) 14.322 8.444 ( -19.412 -0.000 -10.871) 22.248 8.474 ( 15.414 0.000 2.262) 15.580 8.619 ( -1.054 -0.000 -5.863) 5.957 9.084 ( -11.794 -0.000 -20.675) 23.803 9.278 ( -19.676 -0.000 -5.520) 20.436 9.732 ( -20.305 -0.000 -7.517) 21.652 9.957 ( 10.040 0.000 10.928) 14.840 10.279 ( 0.919 0.000 -0.135) 0.929 10.523 ( -2.515 -0.000 -2.861) 3.810 12.148 ( -6.005 -0.000 1.805) 6.270 12.724 ( 11.468 0.000 3.661) 12.038 13.235 ( -4.401 -0.000 8.655) 9.710 13.640 ( 0.149 0.000 0.587) 0.605 13.787 ( 4.807 0.000 3.708) 6.071 14.107 ( 1.502 0.000 -0.677) 1.648 14.333 ( -1.650 -0.000 7.811) 7.983 14.575 ( -21.205 -0.000 -14.769) 25.841 14.777 ( -2.840 -0.000 14.674) 14.946 14.861 ( 4.203 0.000 0.575) 4.242 15.018 ( 4.025 0.000 -9.357) 10.186 15.171 ( -5.658 -0.000 5.358) 7.792 15.519 ( 22.767 0.000 10.245) 24.965 15.660 ( 7.963 0.000 3.188) 8.577 15.834 ( -3.039 -0.000 4.181) 5.168 16.085 ( 3.447 0.000 1.918) 3.945 16.180 ( -2.190 -0.000 2.288) 3.167 16.268 ( -2.930 -0.000 -5.379) 6.125 16.368 ( -6.701 -0.000 -0.837) 6.753 16.404 ( -9.909 -0.000 -3.065) 10.373 16.826 ( 3.073 0.000 -0.816) 3.180 17.149 ( 8.449 0.000 -9.473) 12.693 17.178 ( 0.226 0.000 -0.030) 0.228 17.238 ( -8.605 -0.000 9.907) 13.122 17.259 ( -0.296 -0.000 -0.072) 0.304 17.541 ( 5.121 0.000 -5.838) 7.766 17.585 ( 0.537 0.000 -0.113) 0.549 17.659 ( 11.743 0.000 -11.046) 16.122 17.881 ( -0.628 -0.000 0.182) 0.654 18.398 ( -24.426 -0.000 6.759) 25.344 19.531 ( 0.848 0.000 0.816) 1.177 20.059 ( 7.554 0.000 2.088) 7.838 20.639 ( 17.151 0.000 -7.713) 18.806 21.009 ( -0.575 -0.000 -1.433) 1.544 21.142 ( -1.820 -0.000 1.806) 2.564 21.410 ( -8.131 -0.000 2.461) 8.496 21.473 ( -1.696 -0.000 -4.697) 4.993 21.734 ( -4.062 -0.000 1.334) 4.275 21.857 ( 7.158 0.000 4.507) 8.459 22.253 ( -2.719 -0.000 -2.184) 3.487 =================== 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 3/40320 10.0 2591.354 730.116 2592.221 -0.000 -657.497 0.000 3/40320 20.0 1112.763 465.045 734.100 -0.000 -158.362 0.000 3/40320 30.0 484.957 299.129 294.542 -0.000 -56.909 0.000 3/40320 40.0 278.971 211.372 170.048 -0.000 -28.755 0.000 3/40320 50.0 186.420 157.251 115.770 -0.000 -17.257 0.000 3/40320 60.0 136.884 122.623 86.319 -0.000 -11.178 0.000 3/40320 70.0 107.166 99.322 68.204 -0.000 -7.501 0.000 3/40320 80.0 87.688 82.798 56.058 -0.000 -5.134 0.000 3/40320 90.0 73.989 70.542 47.374 -0.000 -3.561 0.000 3/40320 100.0 63.819 61.121 40.860 -0.000 -2.493 0.000 3/40320 110.0 55.956 53.677 35.795 -0.000 -1.756 0.000 3/40320 120.0 49.690 47.665 31.749 -0.000 -1.239 0.000 3/40320 130.0 44.584 42.727 28.450 -0.000 -0.871 0.000 3/40320 140.0 40.351 38.613 25.716 -0.000 -0.605 0.000 3/40320 150.0 36.792 35.148 23.420 0.000 -0.411 0.000 3/40320 160.0 33.766 32.198 21.471 0.000 -0.268 0.000 3/40320 170.0 31.168 29.666 19.799 0.000 -0.161 0.000 3/40320 180.0 28.918 27.474 18.355 0.000 -0.080 0.000 3/40320 190.0 26.955 25.564 17.096 0.000 -0.018 0.000 3/40320 200.0 25.230 23.888 15.992 0.000 0.028 0.000 3/40320 210.0 23.705 22.409 15.017 0.000 0.065 0.000 3/40320 220.0 22.349 21.095 14.151 0.000 0.092 0.000 3/40320 230.0 21.136 19.922 13.378 0.000 0.114 0.000 3/40320 240.0 20.047 18.870 12.683 0.000 0.130 0.000 3/40320 250.0 19.063 17.922 12.057 0.000 0.143 0.000 3/40320 260.0 18.170 17.064 11.490 0.000 0.153 0.000 3/40320 270.0 17.358 16.283 10.973 0.000 0.160 0.000 3/40320 280.0 16.615 15.571 10.502 0.000 0.165 0.000 3/40320 290.0 15.934 14.919 10.069 0.000 0.169 0.000 3/40320 300.0 15.307 14.320 9.672 0.000 0.172 0.000 3/40320 310.0 14.728 13.767 9.305 0.000 0.174 0.000 3/40320 320.0 14.192 13.256 8.965 0.000 0.175 0.000 3/40320 330.0 13.694 12.782 8.650 0.000 0.175 0.000 3/40320 340.0 13.231 12.342 8.356 0.000 0.175 0.000 3/40320 350.0 12.799 11.932 8.083 0.000 0.175 0.000 3/40320 360.0 12.394 11.548 7.827 0.000 0.174 0.000 3/40320 370.0 12.015 11.189 7.587 0.000 0.173 0.000 3/40320 380.0 11.659 10.853 7.362 0.000 0.171 0.000 3/40320 390.0 11.324 10.536 7.150 0.000 0.170 0.000 3/40320 400.0 11.009 10.238 6.951 0.000 0.168 0.000 3/40320 410.0 10.710 9.957 6.762 0.000 0.166 0.000 3/40320 420.0 10.428 9.691 6.584 0.000 0.164 0.000 3/40320 430.0 10.161 9.439 6.415 0.000 0.163 0.000 3/40320 440.0 9.908 9.201 6.255 0.000 0.161 0.000 3/40320 450.0 9.667 8.974 6.103 0.000 0.159 0.000 3/40320 460.0 9.438 8.759 5.958 0.000 0.157 0.000 3/40320 470.0 9.220 8.554 5.820 0.000 0.155 0.000 3/40320 480.0 9.011 8.359 5.689 0.000 0.153 0.000 3/40320 490.0 8.813 8.173 5.563 0.000 0.151 0.000 3/40320 500.0 8.623 7.995 5.443 0.000 0.149 0.000 3/40320 510.0 8.441 7.825 5.329 0.000 0.147 0.000 3/40320 520.0 8.267 7.662 5.219 0.000 0.145 0.000 3/40320 530.0 8.100 7.506 5.114 0.000 0.143 0.000 3/40320 540.0 7.940 7.356 5.013 0.000 0.141 0.000 3/40320 550.0 7.787 7.213 4.916 0.000 0.140 0.000 3/40320 560.0 7.639 7.075 4.822 0.000 0.138 0.000 3/40320 570.0 7.497 6.942 4.733 0.000 0.136 0.000 3/40320 580.0 7.360 6.814 4.646 0.000 0.134 0.000 3/40320 590.0 7.228 6.692 4.563 0.000 0.133 0.000 3/40320 600.0 7.101 6.573 4.483 0.000 0.131 0.000 3/40320 610.0 6.979 6.459 4.406 0.000 0.129 0.000 3/40320 620.0 6.861 6.349 4.331 0.000 0.128 0.000 3/40320 630.0 6.746 6.242 4.259 0.000 0.126 0.000 3/40320 640.0 6.636 6.139 4.189 0.000 0.125 0.000 3/40320 650.0 6.529 6.040 4.122 0.000 0.123 0.000 3/40320 660.0 6.426 5.944 4.056 0.000 0.122 0.000 3/40320 670.0 6.326 5.851 3.993 0.000 0.120 0.000 3/40320 680.0 6.229 5.760 3.932 0.000 0.119 0.000 3/40320 690.0 6.135 5.673 3.873 0.000 0.117 0.000 3/40320 700.0 6.044 5.588 3.815 0.000 0.116 0.000 3/40320 710.0 5.955 5.506 3.759 0.000 0.115 0.000 3/40320 720.0 5.869 5.426 3.705 0.000 0.113 0.000 3/40320 730.0 5.786 5.349 3.653 0.000 0.112 0.000 3/40320 740.0 5.705 5.274 3.601 0.000 0.111 0.000 3/40320 750.0 5.626 5.201 3.552 0.000 0.109 0.000 3/40320 760.0 5.550 5.130 3.503 0.000 0.108 0.000 3/40320 770.0 5.476 5.061 3.457 0.000 0.107 0.000 3/40320 780.0 5.403 4.993 3.411 0.000 0.106 0.000 3/40320 790.0 5.333 4.928 3.366 0.000 0.105 0.000 3/40320 800.0 5.264 4.864 3.323 0.000 0.104 0.000 3/40320 810.0 5.197 4.802 3.281 0.000 0.102 0.000 3/40320 820.0 5.132 4.742 3.240 0.000 0.101 0.000 3/40320 830.0 5.068 4.683 3.200 0.000 0.100 0.000 3/40320 840.0 5.006 4.625 3.160 0.000 0.099 0.000 3/40320 850.0 4.946 4.569 3.122 0.000 0.098 0.000 3/40320 860.0 4.887 4.515 3.085 0.000 0.097 0.000 3/40320 870.0 4.829 4.461 3.049 0.000 0.096 0.000 3/40320 880.0 4.773 4.409 3.013 0.000 0.095 0.000 3/40320 890.0 4.718 4.358 2.979 0.000 0.094 0.000 3/40320 900.0 4.665 4.309 2.945 0.000 0.093 0.000 3/40320 910.0 4.612 4.260 2.912 0.000 0.092 0.000 3/40320 920.0 4.561 4.213 2.879 0.000 0.092 0.000 3/40320 930.0 4.511 4.166 2.848 0.000 0.091 0.000 3/40320 940.0 4.462 4.121 2.817 0.000 0.090 0.000 3/40320 950.0 4.414 4.076 2.786 0.000 0.089 0.000 3/40320 960.0 4.367 4.033 2.757 0.000 0.088 0.000 3/40320 970.0 4.321 3.991 2.728 0.000 0.087 0.000 3/40320 980.0 4.276 3.949 2.699 0.000 0.087 0.000 3/40320 990.0 4.232 3.908 2.672 0.000 0.086 0.000 3/40320 1000.0 4.189 3.868 2.645 0.000 0.085 0.000 3/40320 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:47:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|