----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:57:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.047778673238043 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): *1 Sm 0.23842404952940 0.25000000000000 0.43761654149815 150.360 *2 Sm 0.74177032483137 0.41296241722645 0.55842663105299 150.360 *3 Sm 0.72337294085035 0.59021385574593 0.94387659131171 150.360 4 Sm 0.72337294085035 0.90978614425407 0.94387659131171 150.360 5 Sm 0.27662705914965 0.09021385574593 0.05612340868829 150.360 *6 Sm 0.76685197572932 0.25000000000000 0.94017995573920 150.360 7 Sm 0.25822967516863 0.58703758277355 0.44157336894701 150.360 8 Sm 0.25822967516863 0.91296241722645 0.44157336894701 150.360 9 Sm 0.27662705914965 0.40978614425407 0.05612340868829 150.360 10 Sm 0.76157595047060 0.75000000000000 0.56238345850185 150.360 11 Sm 0.23314802427068 0.75000000000000 0.05982004426080 150.360 12 Sm 0.74177032483137 0.08703758277355 0.55842663105299 150.360 *13 Cu 0.10276412050934 0.52772743727514 0.79456677214546 63.546 14 Cu 0.89723587949066 0.02772743727514 0.20543322785454 63.546 15 Cu 0.89723587949066 0.47227256272486 0.20543322785454 63.546 16 Cu 0.10276412050934 0.97227256272486 0.79456677214546 63.546 *17 Se 0.89121512550999 0.41870499803863 0.91075404761453 78.960 18 Se 0.10878487449001 0.91870499803863 0.08924595238547 78.960 *19 Se 0.11636552245318 0.75000000000000 0.40269623696190 78.960 *20 Se 0.57292564828305 0.82200379756686 0.25236037748461 78.960 21 Se 0.10878487449001 0.58129500196137 0.08924595238547 78.960 *22 Se 0.58774702394971 0.17866402007458 0.25270325116754 78.960 *23 Se 0.42922425889638 0.00053935019108 0.74680039646417 78.960 24 Se 0.42707435171695 0.32200379756686 0.74763962251539 78.960 25 Se 0.42707435171695 0.17799620243314 0.74763962251539 78.960 *26 Se 0.13144284081102 0.25000000000000 0.09028827197262 78.960 *27 Se 0.88137450806825 0.58169070965058 0.59625443530084 78.960 28 Se 0.57077574110362 0.50053935019108 0.25319960353583 78.960 29 Se 0.11862549193175 0.08169070965058 0.40374556469916 78.960 30 Se 0.41225297605029 0.82133597992542 0.74729674883246 78.960 31 Se 0.88363447754682 0.25000000000000 0.59730376303810 78.960 32 Se 0.42922425889638 0.49946064980892 0.74680039646417 78.960 33 Se 0.58774702394971 0.32133597992542 0.25270325116754 78.960 34 Se 0.11862549193175 0.41830929034942 0.40374556469916 78.960 35 Se 0.57292564828305 0.67799620243314 0.25236037748461 78.960 36 Se 0.41225297605029 0.67866402007458 0.74729674883246 78.960 37 Se 0.57077574110362 0.99946064980892 0.25319960353583 78.960 38 Se 0.88137450806825 0.91830929034942 0.59625443530084 78.960 39 Se 0.86855715918898 0.75000000000000 0.90971172802738 78.960 40 Se 0.89121512550999 0.08129500196137 0.91075404761453 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.047778673238043 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): *1 Sm 0.23842404952940 0.25000000000000 0.43761654149815 150.360 > 1 *2 Sm 0.74177032483137 0.41296241722645 0.55842663105299 150.360 > 2 *3 Sm 0.72337294085035 0.59021385574593 0.94387659131171 150.360 > 3 4 Sm 0.72337294085035 0.90978614425407 0.94387659131171 150.360 > 4 5 Sm 0.27662705914965 0.09021385574593 0.05612340868829 150.360 > 5 *6 Sm 0.76685197572932 0.25000000000000 0.94017995573920 150.360 > 6 7 Sm 0.25822967516863 0.58703758277355 0.44157336894701 150.360 > 7 8 Sm 0.25822967516863 0.91296241722645 0.44157336894701 150.360 > 8 9 Sm 0.27662705914965 0.40978614425407 0.05612340868829 150.360 > 9 10 Sm 0.76157595047060 0.75000000000000 0.56238345850185 150.360 > 10 11 Sm 0.23314802427068 0.75000000000000 0.05982004426080 150.360 > 11 12 Sm 0.74177032483137 0.08703758277355 0.55842663105299 150.360 > 12 *13 Cu 0.10276412050934 0.52772743727514 0.79456677214546 63.546 > 13 14 Cu 0.89723587949066 0.02772743727514 0.20543322785454 63.546 > 14 15 Cu 0.89723587949066 0.47227256272486 0.20543322785454 63.546 > 15 16 Cu 0.10276412050934 0.97227256272486 0.79456677214546 63.546 > 16 *17 Se 0.89121512550999 0.41870499803863 0.91075404761453 78.960 > 17 18 Se 0.10878487449001 0.91870499803863 0.08924595238547 78.960 > 18 *19 Se 0.11636552245318 0.75000000000000 0.40269623696190 78.960 > 19 *20 Se 0.57292564828305 0.82200379756686 0.25236037748461 78.960 > 20 21 Se 0.10878487449001 0.58129500196137 0.08924595238547 78.960 > 21 *22 Se 0.58774702394971 0.17866402007458 0.25270325116754 78.960 > 22 *23 Se 0.42922425889638 0.00053935019108 0.74680039646417 78.960 > 23 24 Se 0.42707435171695 0.32200379756686 0.74763962251539 78.960 > 24 25 Se 0.42707435171695 0.17799620243314 0.74763962251539 78.960 > 25 *26 Se 0.13144284081102 0.25000000000000 0.09028827197262 78.960 > 26 *27 Se 0.88137450806825 0.58169070965058 0.59625443530084 78.960 > 27 28 Se 0.57077574110362 0.50053935019108 0.25319960353583 78.960 > 28 29 Se 0.11862549193175 0.08169070965058 0.40374556469916 78.960 > 29 30 Se 0.41225297605029 0.82133597992542 0.74729674883246 78.960 > 30 31 Se 0.88363447754682 0.25000000000000 0.59730376303810 78.960 > 31 32 Se 0.42922425889638 0.49946064980892 0.74680039646417 78.960 > 32 33 Se 0.58774702394971 0.32133597992542 0.25270325116754 78.960 > 33 34 Se 0.11862549193175 0.41830929034942 0.40374556469916 78.960 > 34 35 Se 0.57292564828305 0.67799620243314 0.25236037748461 78.960 > 35 36 Se 0.41225297605029 0.67866402007458 0.74729674883246 78.960 > 36 37 Se 0.57077574110362 0.99946064980892 0.25319960353583 78.960 > 37 38 Se 0.88137450806825 0.91830929034942 0.59625443530084 78.960 > 38 39 Se 0.86855715918898 0.75000000000000 0.90971172802738 78.960 > 39 40 Se 0.89121512550999 0.08129500196137 0.91075404761453 78.960 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.095557346476086 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): *1 Sm 0.11921202476470 0.25000000000000 0.43761654149815 150.360 > 1 2 Sm 0.61921202476470 0.25000000000000 0.43761654149815 150.360 > 1 *3 Sm 0.37088516241568 0.41296241722645 0.55842663105299 150.360 > 2 4 Sm 0.87088516241568 0.41296241722645 0.55842663105299 150.360 > 2 *5 Sm 0.36168647042518 0.59021385574593 0.94387659131171 150.360 > 3 6 Sm 0.86168647042518 0.59021385574593 0.94387659131171 150.360 > 3 7 Sm 0.36168647042518 0.90978614425407 0.94387659131171 150.360 > 4 8 Sm 0.86168647042518 0.90978614425407 0.94387659131171 150.360 > 4 9 Sm 0.13831352957482 0.09021385574593 0.05612340868829 150.360 > 5 10 Sm 0.63831352957482 0.09021385574593 0.05612340868829 150.360 > 5 *11 Sm 0.38342598786466 0.25000000000000 0.94017995573920 150.360 > 6 12 Sm 0.88342598786466 0.25000000000000 0.94017995573920 150.360 > 6 13 Sm 0.12911483758432 0.58703758277355 0.44157336894701 150.360 > 7 14 Sm 0.62911483758432 0.58703758277355 0.44157336894701 150.360 > 7 15 Sm 0.12911483758432 0.91296241722645 0.44157336894701 150.360 > 8 16 Sm 0.62911483758432 0.91296241722645 0.44157336894701 150.360 > 8 17 Sm 0.13831352957482 0.40978614425407 0.05612340868829 150.360 > 9 18 Sm 0.63831352957482 0.40978614425407 0.05612340868829 150.360 > 9 19 Sm 0.38078797523530 0.75000000000000 0.56238345850185 150.360 > 10 20 Sm 0.88078797523530 0.75000000000000 0.56238345850185 150.360 > 10 21 Sm 0.11657401213534 0.75000000000000 0.05982004426080 150.360 > 11 22 Sm 0.61657401213534 0.75000000000000 0.05982004426080 150.360 > 11 23 Sm 0.37088516241568 0.08703758277355 0.55842663105299 150.360 > 12 24 Sm 0.87088516241568 0.08703758277355 0.55842663105299 150.360 > 12 *25 Cu 0.05138206025467 0.52772743727514 0.79456677214546 63.546 > 13 26 Cu 0.55138206025467 0.52772743727514 0.79456677214546 63.546 > 13 27 Cu 0.44861793974533 0.02772743727514 0.20543322785454 63.546 > 14 28 Cu 0.94861793974533 0.02772743727514 0.20543322785454 63.546 > 14 29 Cu 0.44861793974533 0.47227256272486 0.20543322785454 63.546 > 15 30 Cu 0.94861793974533 0.47227256272486 0.20543322785454 63.546 > 15 31 Cu 0.05138206025467 0.97227256272486 0.79456677214546 63.546 > 16 32 Cu 0.55138206025467 0.97227256272486 0.79456677214546 63.546 > 16 *33 Se 0.44560756275499 0.41870499803863 0.91075404761453 78.960 > 17 34 Se 0.94560756275499 0.41870499803863 0.91075404761453 78.960 > 17 35 Se 0.05439243724501 0.91870499803863 0.08924595238547 78.960 > 18 36 Se 0.55439243724501 0.91870499803863 0.08924595238547 78.960 > 18 *37 Se 0.05818276122659 0.75000000000000 0.40269623696190 78.960 > 19 38 Se 0.55818276122659 0.75000000000000 0.40269623696190 78.960 > 19 *39 Se 0.28646282414153 0.82200379756686 0.25236037748461 78.960 > 20 40 Se 0.78646282414153 0.82200379756686 0.25236037748461 78.960 > 20 41 Se 0.05439243724501 0.58129500196137 0.08924595238547 78.960 > 21 42 Se 0.55439243724501 0.58129500196137 0.08924595238547 78.960 > 21 *43 Se 0.29387351197485 0.17866402007458 0.25270325116754 78.960 > 22 44 Se 0.79387351197485 0.17866402007458 0.25270325116754 78.960 > 22 *45 Se 0.21461212944819 0.00053935019108 0.74680039646417 78.960 > 23 46 Se 0.71461212944819 0.00053935019108 0.74680039646417 78.960 > 23 47 Se 0.21353717585847 0.32200379756686 0.74763962251539 78.960 > 24 48 Se 0.71353717585847 0.32200379756686 0.74763962251539 78.960 > 24 49 Se 0.21353717585847 0.17799620243314 0.74763962251539 78.960 > 25 50 Se 0.71353717585847 0.17799620243314 0.74763962251539 78.960 > 25 *51 Se 0.06572142040551 0.25000000000000 0.09028827197262 78.960 > 26 52 Se 0.56572142040551 0.25000000000000 0.09028827197262 78.960 > 26 *53 Se 0.44068725403412 0.58169070965058 0.59625443530084 78.960 > 27 54 Se 0.94068725403412 0.58169070965058 0.59625443530084 78.960 > 27 55 Se 0.28538787055181 0.50053935019108 0.25319960353583 78.960 > 28 56 Se 0.78538787055181 0.50053935019108 0.25319960353583 78.960 > 28 57 Se 0.05931274596588 0.08169070965058 0.40374556469916 78.960 > 29 58 Se 0.55931274596588 0.08169070965058 0.40374556469916 78.960 > 29 59 Se 0.20612648802515 0.82133597992542 0.74729674883246 78.960 > 30 60 Se 0.70612648802515 0.82133597992542 0.74729674883246 78.960 > 30 61 Se 0.44181723877341 0.25000000000000 0.59730376303810 78.960 > 31 62 Se 0.94181723877341 0.25000000000000 0.59730376303810 78.960 > 31 63 Se 0.21461212944819 0.49946064980892 0.74680039646417 78.960 > 32 64 Se 0.71461212944819 0.49946064980892 0.74680039646417 78.960 > 32 65 Se 0.29387351197485 0.32133597992542 0.25270325116754 78.960 > 33 66 Se 0.79387351197485 0.32133597992542 0.25270325116754 78.960 > 33 67 Se 0.05931274596588 0.41830929034942 0.40374556469916 78.960 > 34 68 Se 0.55931274596588 0.41830929034942 0.40374556469916 78.960 > 34 69 Se 0.28646282414153 0.67799620243314 0.25236037748461 78.960 > 35 70 Se 0.78646282414153 0.67799620243314 0.25236037748461 78.960 > 35 71 Se 0.20612648802515 0.67866402007458 0.74729674883246 78.960 > 36 72 Se 0.70612648802515 0.67866402007458 0.74729674883246 78.960 > 36 73 Se 0.28538787055181 0.99946064980892 0.25319960353583 78.960 > 37 74 Se 0.78538787055181 0.99946064980892 0.25319960353583 78.960 > 37 75 Se 0.44068725403412 0.91830929034942 0.59625443530084 78.960 > 38 76 Se 0.94068725403412 0.91830929034942 0.59625443530084 78.960 > 38 77 Se 0.43427857959449 0.75000000000000 0.90971172802738 78.960 > 39 78 Se 0.93427857959449 0.75000000000000 0.90971172802738 78.960 > 39 79 Se 0.44560756275499 0.08129500196137 0.91075404761453 78.960 > 40 80 Se 0.94560756275499 0.08129500196137 0.91075404761453 78.960 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1947104 0.0000000 -0.0174000 0.0000000 45.7151140 0.0000000 -0.0173918 0.0000000 10.3328731 -------------------------- Born effective charges -------------------------- 1 Sm 3.9050275 0.0000000 0.1758616 0.0000000 5.1813142 0.0000000 -0.3212027 -0.0000000 4.7139724 2 Sm 3.7212481 -0.0010568 0.2210566 0.7327416 5.3340622 0.0404355 -0.2424883 -0.0839972 4.7663495 3 Sm 3.9591119 -0.0438364 -0.4297901 -0.6505756 4.9545784 0.2250835 -0.0326065 -0.1884001 3.9864978 4 Sm 3.9591119 0.0438364 -0.4297901 0.6505756 4.9545784 -0.2250835 -0.0326065 0.1884001 3.9864978 5 Sm 3.9591119 0.0438364 -0.4297901 0.6505756 4.9545784 -0.2250835 -0.0326065 0.1884001 3.9864978 6 Sm 3.9800581 0.0000000 -0.2880346 0.0000000 5.1532411 0.0000000 0.2659820 -0.0000000 4.5233024 7 Sm 3.7212481 -0.0010568 0.2210566 0.7327416 5.3340622 0.0404355 -0.2424883 -0.0839972 4.7663495 8 Sm 3.7212481 0.0010568 0.2210566 -0.7327416 5.3340622 -0.0404355 -0.2424883 0.0839972 4.7663495 9 Sm 3.9591119 -0.0438364 -0.4297901 -0.6505756 4.9545784 0.2250835 -0.0326065 -0.1884001 3.9864978 10 Sm 3.9050275 0.0000000 0.1758616 0.0000000 5.1813142 0.0000000 -0.3212027 -0.0000000 4.7139724 11 Sm 3.9800581 0.0000000 -0.2880346 0.0000000 5.1532411 0.0000000 0.2659820 -0.0000000 4.5233024 12 Sm 3.7212481 0.0010568 0.2210566 -0.7327416 5.3340622 -0.0404355 -0.2424883 0.0839972 4.7663495 13 Cu 0.7519900 0.2994343 0.1195643 0.2799424 2.1375616 0.1444173 0.0872625 0.1708446 0.6218487 14 Cu 0.7519900 -0.2994343 0.1195643 -0.2799424 2.1375616 -0.1444173 0.0872625 -0.1708446 0.6218487 15 Cu 0.7519900 0.2994343 0.1195643 0.2799424 2.1375616 0.1444173 0.0872625 0.1708446 0.6218487 16 Cu 0.7519900 -0.2994343 0.1195643 -0.2799424 2.1375616 -0.1444173 0.0872625 -0.1708446 0.6218487 17 Se -2.3347557 -0.3086942 -0.6538084 -0.5788477 -1.7458663 -0.1924666 -0.8795147 -0.0454852 -2.5362153 18 Se -2.3347557 0.3086942 -0.6538084 0.5788477 -1.7458663 0.1924666 -0.8795147 0.0454852 -2.5362153 19 Se -2.3763831 0.0000000 0.8302491 0.0000000 -1.7127395 0.0000000 1.0078683 -0.0000000 -2.6389151 20 Se -1.5847753 0.2004962 -0.2017131 0.2657837 2.3061940 0.2543876 -0.1869012 0.2997794 -2.1825136 21 Se -2.3347557 -0.3086942 -0.6538084 -0.5788477 -1.7458663 -0.1924666 -0.8795147 -0.0454852 -2.5362153 22 Se -1.4225021 0.0437652 0.1399941 0.7631037 2.0771699 -0.0925536 0.1798484 0.3042845 -2.0482728 23 Se -2.3477218 -0.1193559 0.0895477 -0.5547580 -17.0146841 -0.4469614 0.0339274 -0.3309749 -2.4842760 24 Se -1.5847753 -0.2004962 -0.2017131 -0.2657837 2.3061940 -0.2543876 -0.1869012 -0.2997794 -2.1825136 25 Se -1.5847753 0.2004962 -0.2017131 0.2657837 2.3061940 0.2543876 -0.1869012 0.2997794 -2.1825136 26 Se -2.3506080 0.0000000 -0.7062087 0.0000000 -1.4061721 0.0000000 -0.7873377 -0.0000000 -2.3882225 27 Se -2.3216425 0.0690986 0.7092153 0.4469395 -1.6568375 0.2054863 0.9578174 0.1327677 -2.2284867 28 Se -2.3477218 0.1193559 0.0895477 0.5547580 -17.0146841 0.4469614 0.0339274 0.3309749 -2.4842760 29 Se -2.3216425 -0.0690986 0.7092153 -0.4469395 -1.6568375 -0.2054863 0.9578174 -0.1327677 -2.2284867 30 Se -1.4225021 0.0437652 0.1399941 0.7631037 2.0771699 -0.0925536 0.1798484 0.3042845 -2.0482728 31 Se -2.3763831 0.0000000 0.8302491 0.0000000 -1.7127395 0.0000000 1.0078683 -0.0000000 -2.6389151 32 Se -2.3477218 0.1193559 0.0895477 0.5547580 -17.0146841 0.4469614 0.0339274 0.3309749 -2.4842760 33 Se -1.4225021 -0.0437652 0.1399941 -0.7631037 2.0771699 0.0925536 0.1798484 -0.3042845 -2.0482728 34 Se -2.3216425 0.0690986 0.7092153 0.4469395 -1.6568375 0.2054863 0.9578174 0.1327677 -2.2284867 35 Se -1.5847753 -0.2004962 -0.2017131 -0.2657837 2.3061940 -0.2543876 -0.1869012 -0.2997794 -2.1825136 36 Se -1.4225021 -0.0437652 0.1399941 -0.7631037 2.0771699 0.0925536 0.1798484 -0.3042845 -2.0482728 37 Se -2.3477218 -0.1193559 0.0895477 -0.5547580 -17.0146841 -0.4469614 0.0339274 -0.3309749 -2.4842760 38 Se -2.3216425 -0.0690986 0.7092153 -0.4469395 -1.6568375 -0.2054863 0.9578174 -0.1327677 -2.2284867 39 Se -2.3506080 0.0000000 -0.7062087 0.0000000 -1.4061721 0.0000000 -0.7873377 -0.0000000 -2.3882225 40 Se -2.3347557 0.3086942 -0.6538084 0.5788477 -1.7458663 0.1924666 -0.8795147 0.0454852 -2.5362153 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3736 Number of blocks in projector: 3736 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: 832 Use submatrix version of eigh solver. (1) Block: 500 / 832 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 832 / 832 (1) 317 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 456 Use standard eigh solver. Tree of FC basis block matrices: - (3736, 3645), data: False |-- (456, 444), data: True |-- (456, 444), data: True |-- (456, 444), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (832, 809), data: False |-- (832, 15), data: (832, 38) @ (38, 15) |-- (332, 317), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.804 Solver_block: 200 / 1200 - Time: 0.598 Solver_block: 300 / 1200 - Time: 0.601 Solver_block: 400 / 1200 - Time: 0.596 Solver_block: 500 / 1200 - Time: 0.658 Solver_block: 600 / 1200 - Time: 0.758 Solver_block: 700 / 1200 - Time: 0.936 Solver_block: 800 / 1200 - Time: 0.913 Solver_block: 900 / 1200 - Time: 0.810 Solver_block: 1000 / 1200 - Time: 0.727 Solver_block: 1100 / 1200 - Time: 0.613 Solver_block: 1200 / 1200 - Time: 0.616 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.166 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3736 Number of blocks in projector: 3736 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: 832 Use submatrix version of eigh solver. (1) Block: 500 / 832 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 832 / 832 (1) 317 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 456 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 456 Use standard eigh solver. Tree of FC basis block matrices: - (3736, 3645), data: False |-- (456, 444), data: True |-- (456, 444), data: True |-- (456, 444), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (832, 809), data: False |-- (832, 15), data: (832, 38) @ (38, 15) |-- (332, 317), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), 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 2026-01-08 17:58:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:58:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.047778673238043 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): 1 Sm 0.23842404952940 0.25000000000000 0.43761654149815 150.360 2 Sm 0.74177032483137 0.41296241722645 0.55842663105299 150.360 3 Sm 0.72337294085035 0.59021385574593 0.94387659131171 150.360 4 Sm 0.72337294085035 0.90978614425407 0.94387659131171 150.360 5 Sm 0.27662705914965 0.09021385574593 0.05612340868829 150.360 6 Sm 0.76685197572932 0.25000000000000 0.94017995573920 150.360 7 Sm 0.25822967516863 0.58703758277355 0.44157336894701 150.360 8 Sm 0.25822967516863 0.91296241722645 0.44157336894701 150.360 9 Sm 0.27662705914965 0.40978614425407 0.05612340868829 150.360 10 Sm 0.76157595047060 0.75000000000000 0.56238345850185 150.360 11 Sm 0.23314802427068 0.75000000000000 0.05982004426080 150.360 12 Sm 0.74177032483137 0.08703758277355 0.55842663105299 150.360 13 Cu 0.10276412050934 0.52772743727514 0.79456677214546 63.546 14 Cu 0.89723587949066 0.02772743727514 0.20543322785454 63.546 15 Cu 0.89723587949066 0.47227256272486 0.20543322785454 63.546 16 Cu 0.10276412050934 0.97227256272486 0.79456677214546 63.546 17 Se 0.89121512550999 0.41870499803863 0.91075404761453 78.960 18 Se 0.10878487449001 0.91870499803863 0.08924595238547 78.960 19 Se 0.11636552245318 0.75000000000000 0.40269623696190 78.960 20 Se 0.57292564828305 0.82200379756686 0.25236037748461 78.960 21 Se 0.10878487449001 0.58129500196137 0.08924595238547 78.960 22 Se 0.58774702394971 0.17866402007458 0.25270325116754 78.960 23 Se 0.42922425889638 0.00053935019108 0.74680039646417 78.960 24 Se 0.42707435171695 0.32200379756686 0.74763962251539 78.960 25 Se 0.42707435171695 0.17799620243314 0.74763962251539 78.960 26 Se 0.13144284081102 0.25000000000000 0.09028827197262 78.960 27 Se 0.88137450806825 0.58169070965058 0.59625443530084 78.960 28 Se 0.57077574110362 0.50053935019108 0.25319960353583 78.960 29 Se 0.11862549193175 0.08169070965058 0.40374556469916 78.960 30 Se 0.41225297605029 0.82133597992542 0.74729674883246 78.960 31 Se 0.88363447754682 0.25000000000000 0.59730376303810 78.960 32 Se 0.42922425889638 0.49946064980892 0.74680039646417 78.960 33 Se 0.58774702394971 0.32133597992542 0.25270325116754 78.960 34 Se 0.11862549193175 0.41830929034942 0.40374556469916 78.960 35 Se 0.57292564828305 0.67799620243314 0.25236037748461 78.960 36 Se 0.41225297605029 0.67866402007458 0.74729674883246 78.960 37 Se 0.57077574110362 0.99946064980892 0.25319960353583 78.960 38 Se 0.88137450806825 0.91830929034942 0.59625443530084 78.960 39 Se 0.86855715918898 0.75000000000000 0.90971172802738 78.960 40 Se 0.89121512550999 0.08129500196137 0.91075404761453 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.095557346476086 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): 1 Sm 0.11921202476470 0.25000000000000 0.43761654149815 150.360 > 1 2 Sm 0.61921202476470 0.25000000000000 0.43761654149815 150.360 > 1 3 Sm 0.37088516241568 0.41296241722645 0.55842663105299 150.360 > 3 4 Sm 0.87088516241568 0.41296241722645 0.55842663105299 150.360 > 3 5 Sm 0.36168647042518 0.59021385574593 0.94387659131171 150.360 > 5 6 Sm 0.86168647042518 0.59021385574593 0.94387659131171 150.360 > 5 7 Sm 0.36168647042518 0.90978614425407 0.94387659131171 150.360 > 7 8 Sm 0.86168647042518 0.90978614425407 0.94387659131171 150.360 > 7 9 Sm 0.13831352957482 0.09021385574593 0.05612340868829 150.360 > 9 10 Sm 0.63831352957482 0.09021385574593 0.05612340868829 150.360 > 9 11 Sm 0.38342598786466 0.25000000000000 0.94017995573920 150.360 > 11 12 Sm 0.88342598786466 0.25000000000000 0.94017995573920 150.360 > 11 13 Sm 0.12911483758432 0.58703758277355 0.44157336894701 150.360 > 13 14 Sm 0.62911483758432 0.58703758277355 0.44157336894701 150.360 > 13 15 Sm 0.12911483758432 0.91296241722645 0.44157336894701 150.360 > 15 16 Sm 0.62911483758432 0.91296241722645 0.44157336894701 150.360 > 15 17 Sm 0.13831352957482 0.40978614425407 0.05612340868829 150.360 > 17 18 Sm 0.63831352957482 0.40978614425407 0.05612340868829 150.360 > 17 19 Sm 0.38078797523530 0.75000000000000 0.56238345850185 150.360 > 19 20 Sm 0.88078797523530 0.75000000000000 0.56238345850185 150.360 > 19 21 Sm 0.11657401213534 0.75000000000000 0.05982004426080 150.360 > 21 22 Sm 0.61657401213534 0.75000000000000 0.05982004426080 150.360 > 21 23 Sm 0.37088516241568 0.08703758277355 0.55842663105299 150.360 > 23 24 Sm 0.87088516241568 0.08703758277355 0.55842663105299 150.360 > 23 25 Cu 0.05138206025467 0.52772743727514 0.79456677214546 63.546 > 25 26 Cu 0.55138206025467 0.52772743727514 0.79456677214546 63.546 > 25 27 Cu 0.44861793974533 0.02772743727514 0.20543322785454 63.546 > 27 28 Cu 0.94861793974533 0.02772743727514 0.20543322785454 63.546 > 27 29 Cu 0.44861793974533 0.47227256272486 0.20543322785454 63.546 > 29 30 Cu 0.94861793974533 0.47227256272486 0.20543322785454 63.546 > 29 31 Cu 0.05138206025467 0.97227256272486 0.79456677214546 63.546 > 31 32 Cu 0.55138206025467 0.97227256272486 0.79456677214546 63.546 > 31 33 Se 0.44560756275499 0.41870499803863 0.91075404761453 78.960 > 33 34 Se 0.94560756275499 0.41870499803863 0.91075404761453 78.960 > 33 35 Se 0.05439243724501 0.91870499803863 0.08924595238547 78.960 > 35 36 Se 0.55439243724501 0.91870499803863 0.08924595238547 78.960 > 35 37 Se 0.05818276122659 0.75000000000000 0.40269623696190 78.960 > 37 38 Se 0.55818276122659 0.75000000000000 0.40269623696190 78.960 > 37 39 Se 0.28646282414153 0.82200379756686 0.25236037748461 78.960 > 39 40 Se 0.78646282414153 0.82200379756686 0.25236037748461 78.960 > 39 41 Se 0.05439243724501 0.58129500196137 0.08924595238547 78.960 > 41 42 Se 0.55439243724501 0.58129500196137 0.08924595238547 78.960 > 41 43 Se 0.29387351197485 0.17866402007458 0.25270325116754 78.960 > 43 44 Se 0.79387351197485 0.17866402007458 0.25270325116754 78.960 > 43 45 Se 0.21461212944819 0.00053935019108 0.74680039646417 78.960 > 45 46 Se 0.71461212944819 0.00053935019108 0.74680039646417 78.960 > 45 47 Se 0.21353717585847 0.32200379756686 0.74763962251539 78.960 > 47 48 Se 0.71353717585847 0.32200379756686 0.74763962251539 78.960 > 47 49 Se 0.21353717585847 0.17799620243314 0.74763962251539 78.960 > 49 50 Se 0.71353717585847 0.17799620243314 0.74763962251539 78.960 > 49 51 Se 0.06572142040551 0.25000000000000 0.09028827197262 78.960 > 51 52 Se 0.56572142040551 0.25000000000000 0.09028827197262 78.960 > 51 53 Se 0.44068725403412 0.58169070965058 0.59625443530084 78.960 > 53 54 Se 0.94068725403412 0.58169070965058 0.59625443530084 78.960 > 53 55 Se 0.28538787055181 0.50053935019108 0.25319960353583 78.960 > 55 56 Se 0.78538787055181 0.50053935019108 0.25319960353583 78.960 > 55 57 Se 0.05931274596588 0.08169070965058 0.40374556469916 78.960 > 57 58 Se 0.55931274596588 0.08169070965058 0.40374556469916 78.960 > 57 59 Se 0.20612648802515 0.82133597992542 0.74729674883246 78.960 > 59 60 Se 0.70612648802515 0.82133597992542 0.74729674883246 78.960 > 59 61 Se 0.44181723877341 0.25000000000000 0.59730376303810 78.960 > 61 62 Se 0.94181723877341 0.25000000000000 0.59730376303810 78.960 > 61 63 Se 0.21461212944819 0.49946064980892 0.74680039646417 78.960 > 63 64 Se 0.71461212944819 0.49946064980892 0.74680039646417 78.960 > 63 65 Se 0.29387351197485 0.32133597992542 0.25270325116754 78.960 > 65 66 Se 0.79387351197485 0.32133597992542 0.25270325116754 78.960 > 65 67 Se 0.05931274596588 0.41830929034942 0.40374556469916 78.960 > 67 68 Se 0.55931274596588 0.41830929034942 0.40374556469916 78.960 > 67 69 Se 0.28646282414153 0.67799620243314 0.25236037748461 78.960 > 69 70 Se 0.78646282414153 0.67799620243314 0.25236037748461 78.960 > 69 71 Se 0.20612648802515 0.67866402007458 0.74729674883246 78.960 > 71 72 Se 0.70612648802515 0.67866402007458 0.74729674883246 78.960 > 71 73 Se 0.28538787055181 0.99946064980892 0.25319960353583 78.960 > 73 74 Se 0.78538787055181 0.99946064980892 0.25319960353583 78.960 > 73 75 Se 0.44068725403412 0.91830929034942 0.59625443530084 78.960 > 75 76 Se 0.94068725403412 0.91830929034942 0.59625443530084 78.960 > 75 77 Se 0.43427857959449 0.75000000000000 0.90971172802738 78.960 > 77 78 Se 0.93427857959449 0.75000000000000 0.90971172802738 78.960 > 77 79 Se 0.44560756275499 0.08129500196137 0.91075404761453 78.960 > 79 80 Se 0.94560756275499 0.08129500196137 0.91075404761453 78.960 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1947104 0.0000000 -0.0174000 0.0000000 45.7151140 0.0000000 -0.0173918 0.0000000 10.3328731 -------------------------- Born effective charges -------------------------- 1 Sm 3.9050275 0.0000000 0.1758616 0.0000000 5.1813142 0.0000000 -0.3212027 -0.0000000 4.7139724 2 Sm 3.7212481 -0.0010568 0.2210566 0.7327416 5.3340622 0.0404355 -0.2424883 -0.0839972 4.7663495 3 Sm 3.9591119 -0.0438364 -0.4297901 -0.6505756 4.9545784 0.2250835 -0.0326065 -0.1884001 3.9864978 4 Sm 3.9591119 0.0438364 -0.4297901 0.6505756 4.9545784 -0.2250835 -0.0326065 0.1884001 3.9864978 5 Sm 3.9591119 0.0438364 -0.4297901 0.6505756 4.9545784 -0.2250835 -0.0326065 0.1884001 3.9864978 6 Sm 3.9800581 0.0000000 -0.2880346 0.0000000 5.1532411 0.0000000 0.2659820 -0.0000000 4.5233024 7 Sm 3.7212481 -0.0010568 0.2210566 0.7327416 5.3340622 0.0404355 -0.2424883 -0.0839972 4.7663495 8 Sm 3.7212481 0.0010568 0.2210566 -0.7327416 5.3340622 -0.0404355 -0.2424883 0.0839972 4.7663495 9 Sm 3.9591119 -0.0438364 -0.4297901 -0.6505756 4.9545784 0.2250835 -0.0326065 -0.1884001 3.9864978 10 Sm 3.9050275 0.0000000 0.1758616 0.0000000 5.1813142 0.0000000 -0.3212027 -0.0000000 4.7139724 11 Sm 3.9800581 0.0000000 -0.2880346 0.0000000 5.1532411 0.0000000 0.2659820 -0.0000000 4.5233024 12 Sm 3.7212481 0.0010568 0.2210566 -0.7327416 5.3340622 -0.0404355 -0.2424883 0.0839972 4.7663495 13 Cu 0.7519900 0.2994343 0.1195643 0.2799424 2.1375616 0.1444173 0.0872625 0.1708446 0.6218487 14 Cu 0.7519900 -0.2994343 0.1195643 -0.2799424 2.1375616 -0.1444173 0.0872625 -0.1708446 0.6218487 15 Cu 0.7519900 0.2994343 0.1195643 0.2799424 2.1375616 0.1444173 0.0872625 0.1708446 0.6218487 16 Cu 0.7519900 -0.2994343 0.1195643 -0.2799424 2.1375616 -0.1444173 0.0872625 -0.1708446 0.6218487 17 Se -2.3347557 -0.3086942 -0.6538084 -0.5788477 -1.7458663 -0.1924666 -0.8795147 -0.0454852 -2.5362153 18 Se -2.3347557 0.3086942 -0.6538084 0.5788477 -1.7458663 0.1924666 -0.8795147 0.0454852 -2.5362153 19 Se -2.3763831 0.0000000 0.8302491 0.0000000 -1.7127395 0.0000000 1.0078683 -0.0000000 -2.6389151 20 Se -1.5847753 0.2004962 -0.2017131 0.2657837 2.3061940 0.2543876 -0.1869012 0.2997794 -2.1825136 21 Se -2.3347557 -0.3086942 -0.6538084 -0.5788477 -1.7458663 -0.1924666 -0.8795147 -0.0454852 -2.5362153 22 Se -1.4225021 0.0437652 0.1399941 0.7631037 2.0771699 -0.0925536 0.1798484 0.3042845 -2.0482728 23 Se -2.3477218 -0.1193559 0.0895477 -0.5547580 -17.0146841 -0.4469614 0.0339274 -0.3309749 -2.4842760 24 Se -1.5847753 -0.2004962 -0.2017131 -0.2657837 2.3061940 -0.2543876 -0.1869012 -0.2997794 -2.1825136 25 Se -1.5847753 0.2004962 -0.2017131 0.2657837 2.3061940 0.2543876 -0.1869012 0.2997794 -2.1825136 26 Se -2.3506080 0.0000000 -0.7062087 0.0000000 -1.4061721 0.0000000 -0.7873377 -0.0000000 -2.3882225 27 Se -2.3216425 0.0690986 0.7092153 0.4469395 -1.6568375 0.2054863 0.9578174 0.1327677 -2.2284867 28 Se -2.3477218 0.1193559 0.0895477 0.5547580 -17.0146841 0.4469614 0.0339274 0.3309749 -2.4842760 29 Se -2.3216425 -0.0690986 0.7092153 -0.4469395 -1.6568375 -0.2054863 0.9578174 -0.1327677 -2.2284867 30 Se -1.4225021 0.0437652 0.1399941 0.7631037 2.0771699 -0.0925536 0.1798484 0.3042845 -2.0482728 31 Se -2.3763831 0.0000000 0.8302491 0.0000000 -1.7127395 0.0000000 1.0078683 -0.0000000 -2.6389151 32 Se -2.3477218 0.1193559 0.0895477 0.5547580 -17.0146841 0.4469614 0.0339274 0.3309749 -2.4842760 33 Se -1.4225021 -0.0437652 0.1399941 -0.7631037 2.0771699 0.0925536 0.1798484 -0.3042845 -2.0482728 34 Se -2.3216425 0.0690986 0.7092153 0.4469395 -1.6568375 0.2054863 0.9578174 0.1327677 -2.2284867 35 Se -1.5847753 -0.2004962 -0.2017131 -0.2657837 2.3061940 -0.2543876 -0.1869012 -0.2997794 -2.1825136 36 Se -1.4225021 -0.0437652 0.1399941 -0.7631037 2.0771699 0.0925536 0.1798484 -0.3042845 -2.0482728 37 Se -2.3477218 -0.1193559 0.0895477 -0.5547580 -17.0146841 -0.4469614 0.0339274 -0.3309749 -2.4842760 38 Se -2.3216425 -0.0690986 0.7092153 -0.4469395 -1.6568375 -0.2054863 0.9578174 -0.1327677 -2.2284867 39 Se -2.3506080 0.0000000 -0.7062087 0.0000000 -1.4061721 0.0000000 -0.7873377 -0.0000000 -2.3882225 40 Se -2.3347557 0.3086942 -0.6538084 0.5788477 -1.7458663 0.1924666 -0.8795147 0.0454852 -2.5362153 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 3, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 39, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 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 (zxz) -0.00000002 (zxz) -0.00000002 (zzx) 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 2026-01-08 17:59:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:59:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.047778673238043 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): 1 Sm 0.23842404952940 0.25000000000000 0.43761654149815 150.360 2 Sm 0.74177032483137 0.41296241722645 0.55842663105299 150.360 3 Sm 0.72337294085035 0.59021385574593 0.94387659131171 150.360 4 Sm 0.72337294085035 0.90978614425407 0.94387659131171 150.360 5 Sm 0.27662705914965 0.09021385574593 0.05612340868829 150.360 6 Sm 0.76685197572932 0.25000000000000 0.94017995573920 150.360 7 Sm 0.25822967516863 0.58703758277355 0.44157336894701 150.360 8 Sm 0.25822967516863 0.91296241722645 0.44157336894701 150.360 9 Sm 0.27662705914965 0.40978614425407 0.05612340868829 150.360 10 Sm 0.76157595047060 0.75000000000000 0.56238345850185 150.360 11 Sm 0.23314802427068 0.75000000000000 0.05982004426080 150.360 12 Sm 0.74177032483137 0.08703758277355 0.55842663105299 150.360 13 Cu 0.10276412050934 0.52772743727514 0.79456677214546 63.546 14 Cu 0.89723587949066 0.02772743727514 0.20543322785454 63.546 15 Cu 0.89723587949066 0.47227256272486 0.20543322785454 63.546 16 Cu 0.10276412050934 0.97227256272486 0.79456677214546 63.546 17 Se 0.89121512550999 0.41870499803863 0.91075404761453 78.960 18 Se 0.10878487449001 0.91870499803863 0.08924595238547 78.960 19 Se 0.11636552245318 0.75000000000000 0.40269623696190 78.960 20 Se 0.57292564828305 0.82200379756686 0.25236037748461 78.960 21 Se 0.10878487449001 0.58129500196137 0.08924595238547 78.960 22 Se 0.58774702394971 0.17866402007458 0.25270325116754 78.960 23 Se 0.42922425889638 0.00053935019108 0.74680039646417 78.960 24 Se 0.42707435171695 0.32200379756686 0.74763962251539 78.960 25 Se 0.42707435171695 0.17799620243314 0.74763962251539 78.960 26 Se 0.13144284081102 0.25000000000000 0.09028827197262 78.960 27 Se 0.88137450806825 0.58169070965058 0.59625443530084 78.960 28 Se 0.57077574110362 0.50053935019108 0.25319960353583 78.960 29 Se 0.11862549193175 0.08169070965058 0.40374556469916 78.960 30 Se 0.41225297605029 0.82133597992542 0.74729674883246 78.960 31 Se 0.88363447754682 0.25000000000000 0.59730376303810 78.960 32 Se 0.42922425889638 0.49946064980892 0.74680039646417 78.960 33 Se 0.58774702394971 0.32133597992542 0.25270325116754 78.960 34 Se 0.11862549193175 0.41830929034942 0.40374556469916 78.960 35 Se 0.57292564828305 0.67799620243314 0.25236037748461 78.960 36 Se 0.41225297605029 0.67866402007458 0.74729674883246 78.960 37 Se 0.57077574110362 0.99946064980892 0.25319960353583 78.960 38 Se 0.88137450806825 0.91830929034942 0.59625443530084 78.960 39 Se 0.86855715918898 0.75000000000000 0.90971172802738 78.960 40 Se 0.89121512550999 0.08129500196137 0.91075404761453 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.095557346476086 0.000000000000000 0.000000000000000 b 0.000000000000000 16.987775560000003 0.000000000000000 c -0.078071200907908 0.000000000000000 7.804905927006001 Atomic positions (fractional): 1 Sm 0.11921202476470 0.25000000000000 0.43761654149815 150.360 > 1 2 Sm 0.61921202476470 0.25000000000000 0.43761654149815 150.360 > 1 3 Sm 0.37088516241568 0.41296241722645 0.55842663105299 150.360 > 3 4 Sm 0.87088516241568 0.41296241722645 0.55842663105299 150.360 > 3 5 Sm 0.36168647042518 0.59021385574593 0.94387659131171 150.360 > 5 6 Sm 0.86168647042518 0.59021385574593 0.94387659131171 150.360 > 5 7 Sm 0.36168647042518 0.90978614425407 0.94387659131171 150.360 > 7 8 Sm 0.86168647042518 0.90978614425407 0.94387659131171 150.360 > 7 9 Sm 0.13831352957482 0.09021385574593 0.05612340868829 150.360 > 9 10 Sm 0.63831352957482 0.09021385574593 0.05612340868829 150.360 > 9 11 Sm 0.38342598786466 0.25000000000000 0.94017995573920 150.360 > 11 12 Sm 0.88342598786466 0.25000000000000 0.94017995573920 150.360 > 11 13 Sm 0.12911483758432 0.58703758277355 0.44157336894701 150.360 > 13 14 Sm 0.62911483758432 0.58703758277355 0.44157336894701 150.360 > 13 15 Sm 0.12911483758432 0.91296241722645 0.44157336894701 150.360 > 15 16 Sm 0.62911483758432 0.91296241722645 0.44157336894701 150.360 > 15 17 Sm 0.13831352957482 0.40978614425407 0.05612340868829 150.360 > 17 18 Sm 0.63831352957482 0.40978614425407 0.05612340868829 150.360 > 17 19 Sm 0.38078797523530 0.75000000000000 0.56238345850185 150.360 > 19 20 Sm 0.88078797523530 0.75000000000000 0.56238345850185 150.360 > 19 21 Sm 0.11657401213534 0.75000000000000 0.05982004426080 150.360 > 21 22 Sm 0.61657401213534 0.75000000000000 0.05982004426080 150.360 > 21 23 Sm 0.37088516241568 0.08703758277355 0.55842663105299 150.360 > 23 24 Sm 0.87088516241568 0.08703758277355 0.55842663105299 150.360 > 23 25 Cu 0.05138206025467 0.52772743727514 0.79456677214546 63.546 > 25 26 Cu 0.55138206025467 0.52772743727514 0.79456677214546 63.546 > 25 27 Cu 0.44861793974533 0.02772743727514 0.20543322785454 63.546 > 27 28 Cu 0.94861793974533 0.02772743727514 0.20543322785454 63.546 > 27 29 Cu 0.44861793974533 0.47227256272486 0.20543322785454 63.546 > 29 30 Cu 0.94861793974533 0.47227256272486 0.20543322785454 63.546 > 29 31 Cu 0.05138206025467 0.97227256272486 0.79456677214546 63.546 > 31 32 Cu 0.55138206025467 0.97227256272486 0.79456677214546 63.546 > 31 33 Se 0.44560756275499 0.41870499803863 0.91075404761453 78.960 > 33 34 Se 0.94560756275499 0.41870499803863 0.91075404761453 78.960 > 33 35 Se 0.05439243724501 0.91870499803863 0.08924595238547 78.960 > 35 36 Se 0.55439243724501 0.91870499803863 0.08924595238547 78.960 > 35 37 Se 0.05818276122659 0.75000000000000 0.40269623696190 78.960 > 37 38 Se 0.55818276122659 0.75000000000000 0.40269623696190 78.960 > 37 39 Se 0.28646282414153 0.82200379756686 0.25236037748461 78.960 > 39 40 Se 0.78646282414153 0.82200379756686 0.25236037748461 78.960 > 39 41 Se 0.05439243724501 0.58129500196137 0.08924595238547 78.960 > 41 42 Se 0.55439243724501 0.58129500196137 0.08924595238547 78.960 > 41 43 Se 0.29387351197485 0.17866402007458 0.25270325116754 78.960 > 43 44 Se 0.79387351197485 0.17866402007458 0.25270325116754 78.960 > 43 45 Se 0.21461212944819 0.00053935019108 0.74680039646417 78.960 > 45 46 Se 0.71461212944819 0.00053935019108 0.74680039646417 78.960 > 45 47 Se 0.21353717585847 0.32200379756686 0.74763962251539 78.960 > 47 48 Se 0.71353717585847 0.32200379756686 0.74763962251539 78.960 > 47 49 Se 0.21353717585847 0.17799620243314 0.74763962251539 78.960 > 49 50 Se 0.71353717585847 0.17799620243314 0.74763962251539 78.960 > 49 51 Se 0.06572142040551 0.25000000000000 0.09028827197262 78.960 > 51 52 Se 0.56572142040551 0.25000000000000 0.09028827197262 78.960 > 51 53 Se 0.44068725403412 0.58169070965058 0.59625443530084 78.960 > 53 54 Se 0.94068725403412 0.58169070965058 0.59625443530084 78.960 > 53 55 Se 0.28538787055181 0.50053935019108 0.25319960353583 78.960 > 55 56 Se 0.78538787055181 0.50053935019108 0.25319960353583 78.960 > 55 57 Se 0.05931274596588 0.08169070965058 0.40374556469916 78.960 > 57 58 Se 0.55931274596588 0.08169070965058 0.40374556469916 78.960 > 57 59 Se 0.20612648802515 0.82133597992542 0.74729674883246 78.960 > 59 60 Se 0.70612648802515 0.82133597992542 0.74729674883246 78.960 > 59 61 Se 0.44181723877341 0.25000000000000 0.59730376303810 78.960 > 61 62 Se 0.94181723877341 0.25000000000000 0.59730376303810 78.960 > 61 63 Se 0.21461212944819 0.49946064980892 0.74680039646417 78.960 > 63 64 Se 0.71461212944819 0.49946064980892 0.74680039646417 78.960 > 63 65 Se 0.29387351197485 0.32133597992542 0.25270325116754 78.960 > 65 66 Se 0.79387351197485 0.32133597992542 0.25270325116754 78.960 > 65 67 Se 0.05931274596588 0.41830929034942 0.40374556469916 78.960 > 67 68 Se 0.55931274596588 0.41830929034942 0.40374556469916 78.960 > 67 69 Se 0.28646282414153 0.67799620243314 0.25236037748461 78.960 > 69 70 Se 0.78646282414153 0.67799620243314 0.25236037748461 78.960 > 69 71 Se 0.20612648802515 0.67866402007458 0.74729674883246 78.960 > 71 72 Se 0.70612648802515 0.67866402007458 0.74729674883246 78.960 > 71 73 Se 0.28538787055181 0.99946064980892 0.25319960353583 78.960 > 73 74 Se 0.78538787055181 0.99946064980892 0.25319960353583 78.960 > 73 75 Se 0.44068725403412 0.91830929034942 0.59625443530084 78.960 > 75 76 Se 0.94068725403412 0.91830929034942 0.59625443530084 78.960 > 75 77 Se 0.43427857959449 0.75000000000000 0.90971172802738 78.960 > 77 78 Se 0.93427857959449 0.75000000000000 0.90971172802738 78.960 > 77 79 Se 0.44560756275499 0.08129500196137 0.91075404761453 78.960 > 79 80 Se 0.94560756275499 0.08129500196137 0.91075404761453 78.960 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.1947104 0.0000000 -0.0174000 0.0000000 45.7151140 0.0000000 -0.0173918 0.0000000 10.3328731 -------------------------- Born effective charges -------------------------- 1 Sm 3.9050275 0.0000000 0.1758616 0.0000000 5.1813142 0.0000000 -0.3212027 -0.0000000 4.7139724 2 Sm 3.7212481 -0.0010568 0.2210566 0.7327416 5.3340622 0.0404355 -0.2424883 -0.0839972 4.7663495 3 Sm 3.9591119 -0.0438364 -0.4297901 -0.6505756 4.9545784 0.2250835 -0.0326065 -0.1884001 3.9864978 4 Sm 3.9591119 0.0438364 -0.4297901 0.6505756 4.9545784 -0.2250835 -0.0326065 0.1884001 3.9864978 5 Sm 3.9591119 0.0438364 -0.4297901 0.6505756 4.9545784 -0.2250835 -0.0326065 0.1884001 3.9864978 6 Sm 3.9800581 0.0000000 -0.2880346 0.0000000 5.1532411 0.0000000 0.2659820 -0.0000000 4.5233024 7 Sm 3.7212481 -0.0010568 0.2210566 0.7327416 5.3340622 0.0404355 -0.2424883 -0.0839972 4.7663495 8 Sm 3.7212481 0.0010568 0.2210566 -0.7327416 5.3340622 -0.0404355 -0.2424883 0.0839972 4.7663495 9 Sm 3.9591119 -0.0438364 -0.4297901 -0.6505756 4.9545784 0.2250835 -0.0326065 -0.1884001 3.9864978 10 Sm 3.9050275 0.0000000 0.1758616 0.0000000 5.1813142 0.0000000 -0.3212027 -0.0000000 4.7139724 11 Sm 3.9800581 0.0000000 -0.2880346 0.0000000 5.1532411 0.0000000 0.2659820 -0.0000000 4.5233024 12 Sm 3.7212481 0.0010568 0.2210566 -0.7327416 5.3340622 -0.0404355 -0.2424883 0.0839972 4.7663495 13 Cu 0.7519900 0.2994343 0.1195643 0.2799424 2.1375616 0.1444173 0.0872625 0.1708446 0.6218487 14 Cu 0.7519900 -0.2994343 0.1195643 -0.2799424 2.1375616 -0.1444173 0.0872625 -0.1708446 0.6218487 15 Cu 0.7519900 0.2994343 0.1195643 0.2799424 2.1375616 0.1444173 0.0872625 0.1708446 0.6218487 16 Cu 0.7519900 -0.2994343 0.1195643 -0.2799424 2.1375616 -0.1444173 0.0872625 -0.1708446 0.6218487 17 Se -2.3347557 -0.3086942 -0.6538084 -0.5788477 -1.7458663 -0.1924666 -0.8795147 -0.0454852 -2.5362153 18 Se -2.3347557 0.3086942 -0.6538084 0.5788477 -1.7458663 0.1924666 -0.8795147 0.0454852 -2.5362153 19 Se -2.3763831 0.0000000 0.8302491 0.0000000 -1.7127395 0.0000000 1.0078683 -0.0000000 -2.6389151 20 Se -1.5847753 0.2004962 -0.2017131 0.2657837 2.3061940 0.2543876 -0.1869012 0.2997794 -2.1825136 21 Se -2.3347557 -0.3086942 -0.6538084 -0.5788477 -1.7458663 -0.1924666 -0.8795147 -0.0454852 -2.5362153 22 Se -1.4225021 0.0437652 0.1399941 0.7631037 2.0771699 -0.0925536 0.1798484 0.3042845 -2.0482728 23 Se -2.3477218 -0.1193559 0.0895477 -0.5547580 -17.0146841 -0.4469614 0.0339274 -0.3309749 -2.4842760 24 Se -1.5847753 -0.2004962 -0.2017131 -0.2657837 2.3061940 -0.2543876 -0.1869012 -0.2997794 -2.1825136 25 Se -1.5847753 0.2004962 -0.2017131 0.2657837 2.3061940 0.2543876 -0.1869012 0.2997794 -2.1825136 26 Se -2.3506080 0.0000000 -0.7062087 0.0000000 -1.4061721 0.0000000 -0.7873377 -0.0000000 -2.3882225 27 Se -2.3216425 0.0690986 0.7092153 0.4469395 -1.6568375 0.2054863 0.9578174 0.1327677 -2.2284867 28 Se -2.3477218 0.1193559 0.0895477 0.5547580 -17.0146841 0.4469614 0.0339274 0.3309749 -2.4842760 29 Se -2.3216425 -0.0690986 0.7092153 -0.4469395 -1.6568375 -0.2054863 0.9578174 -0.1327677 -2.2284867 30 Se -1.4225021 0.0437652 0.1399941 0.7631037 2.0771699 -0.0925536 0.1798484 0.3042845 -2.0482728 31 Se -2.3763831 0.0000000 0.8302491 0.0000000 -1.7127395 0.0000000 1.0078683 -0.0000000 -2.6389151 32 Se -2.3477218 0.1193559 0.0895477 0.5547580 -17.0146841 0.4469614 0.0339274 0.3309749 -2.4842760 33 Se -1.4225021 -0.0437652 0.1399941 -0.7631037 2.0771699 0.0925536 0.1798484 -0.3042845 -2.0482728 34 Se -2.3216425 0.0690986 0.7092153 0.4469395 -1.6568375 0.2054863 0.9578174 0.1327677 -2.2284867 35 Se -1.5847753 -0.2004962 -0.2017131 -0.2657837 2.3061940 -0.2543876 -0.1869012 -0.2997794 -2.1825136 36 Se -1.4225021 -0.0437652 0.1399941 -0.7631037 2.0771699 0.0925536 0.1798484 -0.3042845 -2.0482728 37 Se -2.3477218 -0.1193559 0.0895477 -0.5547580 -17.0146841 -0.4469614 0.0339274 -0.3309749 -2.4842760 38 Se -2.3216425 -0.0690986 0.7092153 -0.4469395 -1.6568375 -0.2054863 0.9578174 -0.1327677 -2.2284867 39 Se -2.3506080 0.0000000 -0.7062087 0.0000000 -1.4061721 0.0000000 -0.7873377 -0.0000000 -2.3882225 40 Se -2.3347557 0.3086942 -0.6538084 0.5788477 -1.7458663 0.1924666 -0.8795147 0.0454852 -2.5362153 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zxz) -0.00000002 (zxz) -0.00000002 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 3 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 297, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/44) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.173 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.337 ( 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 3.412 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/44) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 19.581 0.000 -0.623) 19.591 0.471 ( 22.442 0.000 6.562) 23.381 0.734 ( 34.526 0.000 2.620) 34.625 1.173 ( 1.559 0.000 0.233) 1.576 1.176 ( 3.359 0.000 1.452) 3.659 1.237 ( 5.297 0.000 -0.571) 5.328 1.309 ( 2.520 0.000 0.218) 2.529 1.349 ( 8.886 0.000 0.546) 8.903 1.427 ( 3.340 0.000 4.960) 5.979 1.635 ( -2.396 0.000 2.727) 3.630 1.636 ( -1.595 0.000 -0.591) 1.701 1.745 ( 2.884 0.000 -0.351) 2.905 1.892 ( -4.708 0.000 3.073) 5.622 1.921 ( 6.577 0.000 1.141) 6.675 1.953 ( -2.129 0.000 -1.174) 2.431 2.051 ( -5.582 0.000 1.328) 5.738 2.096 ( 1.400 0.000 -0.469) 1.477 2.122 ( -0.827 0.000 -0.931) 1.246 2.184 ( 0.059 0.000 0.117) 0.131 2.241 ( 2.602 0.000 0.058) 2.603 2.267 ( 2.456 0.000 0.377) 2.485 2.312 ( -3.572 0.000 -0.552) 3.614 2.351 ( 1.217 0.000 2.634) 2.901 2.401 ( -0.974 0.000 1.493) 1.782 2.422 ( -1.179 0.000 0.273) 1.210 2.493 ( 1.638 0.000 1.763) 2.407 2.513 ( -0.405 0.000 -1.152) 1.222 2.541 ( 0.183 0.000 -3.950) 3.955 2.617 ( 1.094 0.000 4.118) 4.261 2.640 ( 1.568 0.000 -2.459) 2.916 2.674 ( 1.910 0.000 1.209) 2.261 2.708 ( -4.084 0.000 -2.907) 5.013 2.727 ( -0.111 0.000 -2.880) 2.882 2.753 ( -0.769 0.000 -1.640) 1.811 2.763 ( 0.585 0.000 2.530) 2.596 2.820 ( 0.312 0.000 0.769) 0.830 2.877 ( -2.805 0.000 -0.909) 2.949 2.892 ( -2.025 0.000 0.523) 2.092 2.928 ( -2.869 0.000 0.860) 2.995 2.968 ( 0.292 0.000 2.152) 2.172 3.052 ( 0.950 0.000 -1.714) 1.960 3.057 ( 3.695 0.000 2.022) 4.212 3.083 ( 0.404 0.000 -0.494) 0.638 3.166 ( -0.679 0.000 -0.895) 1.123 3.218 ( -0.432 0.000 2.063) 2.107 3.257 ( 2.377 0.000 1.277) 2.699 3.285 ( -1.348 0.000 4.713) 4.902 3.330 ( -0.211 0.000 1.093) 1.114 3.369 ( -1.142 0.000 0.635) 1.307 3.388 ( 0.475 0.000 -2.347) 2.395 3.421 ( 0.387 0.000 2.970) 2.995 3.450 ( -1.400 0.000 0.011) 1.400 3.520 ( -3.376 0.000 -3.647) 4.970 3.540 ( -2.745 0.000 0.880) 2.882 3.576 ( 4.987 0.000 -0.443) 5.006 3.606 ( -2.502 0.000 -0.892) 2.656 3.612 ( -1.135 0.000 1.632) 1.988 3.629 ( 0.453 0.000 -0.955) 1.057 3.685 ( 2.162 0.000 -0.045) 2.163 3.688 ( -3.164 0.000 -4.962) 5.885 3.728 ( -6.445 0.000 -0.550) 6.469 3.858 ( -0.672 0.000 -0.457) 0.813 3.879 ( -1.851 0.000 0.382) 1.890 3.891 ( -0.090 0.000 -0.510) 0.518 3.963 ( -0.918 0.000 5.036) 5.119 3.989 ( -4.851 0.000 -1.580) 5.102 3.992 ( -0.832 0.000 -2.605) 2.735 4.016 ( 0.354 0.000 -2.478) 2.503 4.040 ( -2.280 0.000 -7.564) 7.900 4.045 ( -0.819 0.000 -4.502) 4.575 4.122 ( 3.139 0.000 7.015) 7.685 4.137 ( -1.522 0.000 1.970) 2.490 4.153 ( 1.242 0.000 -1.692) 2.099 4.188 ( 0.634 0.000 -1.599) 1.720 4.224 ( 0.220 0.000 1.513) 1.529 4.225 ( -0.243 0.000 -0.281) 0.372 4.259 ( -1.280 0.000 0.307) 1.316 4.267 ( -4.004 0.000 -1.209) 4.182 4.333 ( 1.273 0.000 0.363) 1.324 4.341 ( -1.003 0.000 -2.294) 2.504 4.381 ( 0.281 0.000 2.469) 2.485 4.400 ( 2.518 0.000 -2.906) 3.846 4.408 ( -1.076 0.000 4.685) 4.807 4.463 ( -0.166 0.000 -1.295) 1.305 4.517 ( -2.148 0.000 1.929) 2.887 4.631 ( 0.109 0.000 -2.852) 2.854 4.655 ( 1.208 0.000 2.917) 3.158 4.688 ( 3.051 0.000 0.116) 3.053 4.708 ( -0.963 0.000 -0.143) 0.974 4.749 ( 1.963 0.000 1.305) 2.357 4.851 ( -0.112 0.000 -15.230) 15.231 4.913 ( -3.207 0.000 0.396) 3.231 4.948 ( -0.545 0.000 1.774) 1.856 5.048 ( 1.103 0.000 0.649) 1.280 5.124 ( -4.948 0.000 -1.975) 5.328 5.139 ( 0.563 0.000 1.320) 1.435 5.140 ( -0.239 0.000 -1.542) 1.561 5.247 ( -2.977 0.000 -0.275) 2.990 5.383 ( 1.205 0.000 -0.248) 1.230 5.469 ( 2.356 0.000 0.370) 2.385 5.496 ( 1.779 0.000 0.203) 1.791 5.588 ( -0.473 0.000 4.807) 4.830 5.717 ( -0.763 0.000 -1.492) 1.676 5.724 ( 0.042 0.000 -1.259) 1.260 5.790 ( -2.470 0.000 0.151) 2.475 5.811 ( -0.181 0.000 1.691) 1.700 5.869 ( 0.140 0.000 3.547) 3.550 5.886 ( 0.902 0.000 -0.089) 0.907 5.918 ( 0.869 0.000 -1.099) 1.401 6.017 ( 1.864 0.000 -0.043) 1.864 6.202 ( 3.728 0.000 0.694) 3.792 6.287 ( 0.532 0.000 -1.393) 1.492 6.839 ( 0.072 0.000 -0.290) 0.299 6.858 ( -0.179 0.000 -0.087) 0.199 6.909 ( 0.340 0.000 0.072) 0.347 6.911 ( -0.160 0.000 -0.087) 0.182 6.959 ( 1.393 0.000 -0.082) 1.395 7.045 ( -0.868 0.000 2.640) 2.780 7.477 ( 0.189 0.000 -0.077) 0.204 7.524 ( -0.356 0.000 -0.110) 0.373 ======================= Grid point 2 (3/44) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 17.698 0.000 -0.626) 17.709 0.893 ( 18.400 0.000 4.639) 18.976 1.152 ( 1.856 0.000 0.190) 1.866 1.239 ( 1.833 0.000 3.047) 3.556 1.337 ( 5.248 0.000 -7.498) 9.152 1.384 ( 19.428 0.000 0.411) 19.433 1.422 ( -0.753 0.000 3.351) 3.434 1.436 ( 8.510 0.000 4.395) 9.578 1.583 ( -3.780 0.000 -0.309) 3.792 1.593 ( 13.229 0.000 4.400) 13.942 1.704 ( 9.449 0.000 1.951) 9.648 1.789 ( -4.522 0.000 4.920) 6.682 1.816 ( 3.057 0.000 1.111) 3.253 1.879 ( -2.566 0.000 0.556) 2.626 1.897 ( -8.229 0.000 1.328) 8.336 2.060 ( -2.169 0.000 -1.727) 2.773 2.099 ( 6.827 0.000 1.470) 6.984 2.149 ( -3.933 0.000 -0.557) 3.972 2.170 ( 3.735 0.000 -3.671) 5.237 2.207 ( -4.720 0.000 2.321) 5.260 2.259 ( -3.329 0.000 -1.896) 3.831 2.283 ( 0.123 0.000 2.720) 2.723 2.331 ( -3.076 0.000 1.523) 3.432 2.383 ( -2.366 0.000 0.153) 2.371 2.454 ( 5.561 0.000 4.784) 7.336 2.518 ( 1.070 0.000 -3.481) 3.642 2.526 ( -3.628 0.000 0.947) 3.750 2.544 ( 0.365 0.000 -0.988) 1.053 2.600 ( 5.165 0.000 4.375) 6.769 2.672 ( -1.544 0.000 -3.379) 3.715 2.678 ( -2.595 0.000 -0.560) 2.655 2.691 ( 2.926 0.000 -0.510) 2.970 2.746 ( 0.647 0.000 0.879) 1.092 2.774 ( 0.983 0.000 0.030) 0.984 2.793 ( 4.814 0.000 -1.171) 4.954 2.830 ( 0.466 0.000 -1.531) 1.600 2.875 ( 0.508 0.000 1.339) 1.432 2.881 ( 3.640 0.000 -2.286) 4.298 2.895 ( 0.101 0.000 1.062) 1.067 2.984 ( 1.112 0.000 2.122) 2.396 3.019 ( -3.284 0.000 -2.243) 3.977 3.040 ( -2.040 0.000 -0.121) 2.044 3.128 ( 2.564 0.000 4.338) 5.039 3.181 ( -2.499 0.000 3.449) 4.259 3.211 ( 3.793 0.000 -2.235) 4.403 3.259 ( -1.417 0.000 4.016) 4.259 3.316 ( 3.350 0.000 2.766) 4.344 3.339 ( -1.559 0.000 -2.073) 2.594 3.351 ( -1.935 0.000 1.843) 2.672 3.384 ( -2.517 0.000 -0.057) 2.517 3.386 ( -2.420 0.000 -1.228) 2.714 3.403 ( -2.162 0.000 -2.239) 3.112 3.458 ( -4.259 0.000 0.687) 4.314 3.468 ( -0.974 0.000 -1.035) 1.422 3.518 ( -7.554 0.000 1.240) 7.655 3.553 ( -4.809 0.000 -3.400) 5.890 3.590 ( 0.151 0.000 2.358) 2.362 3.611 ( -3.907 0.000 -4.220) 5.751 3.672 ( 1.306 0.000 -0.845) 1.555 3.688 ( 2.051 0.000 -1.137) 2.345 3.724 ( 3.404 0.000 1.104) 3.578 3.814 ( -3.505 0.000 -0.687) 3.571 3.850 ( -3.858 0.000 0.696) 3.920 3.860 ( -0.400 0.000 -2.900) 2.927 3.930 ( -0.965 0.000 -1.362) 1.670 3.939 ( -3.583 0.000 -2.392) 4.308 3.978 ( 1.862 0.000 3.354) 3.837 4.006 ( -1.968 0.000 -3.995) 4.453 4.017 ( 0.279 0.000 -3.378) 3.390 4.027 ( 0.426 0.000 -1.423) 1.485 4.082 ( -3.392 0.000 -1.536) 3.723 4.101 ( -2.255 0.000 0.462) 2.302 4.150 ( -5.722 0.000 -0.362) 5.733 4.158 ( -2.155 0.000 -2.195) 3.076 4.187 ( -2.097 0.000 4.033) 4.545 4.235 ( -0.219 0.000 0.226) 0.315 4.246 ( 0.645 0.000 -1.549) 1.678 4.276 ( 3.584 0.000 2.753) 4.519 4.319 ( 0.004 0.000 -0.384) 0.384 4.363 ( 0.059 0.000 -1.060) 1.062 4.365 ( -1.459 0.000 1.140) 1.852 4.377 ( -1.952 0.000 1.406) 2.406 4.431 ( 1.205 0.000 2.736) 2.989 4.486 ( 3.546 0.000 -2.185) 4.165 4.522 ( 1.738 0.000 0.684) 1.868 4.627 ( -0.534 0.000 -3.028) 3.074 4.683 ( 1.382 0.000 0.401) 1.439 4.689 ( -1.146 0.000 -2.414) 2.672 4.750 ( 2.379 0.000 1.445) 2.784 4.791 ( 1.763 0.000 2.204) 2.822 4.838 ( -1.258 0.000 -6.506) 6.627 4.863 ( -1.001 0.000 0.930) 1.366 4.923 ( -2.440 0.000 2.880) 3.775 5.026 ( -2.956 0.000 -3.781) 4.800 5.068 ( 0.686 0.000 -0.531) 0.867 5.119 ( -1.126 0.000 2.939) 3.147 5.146 ( -0.848 0.000 -2.650) 2.782 5.204 ( -0.619 0.000 0.551) 0.829 5.392 ( 0.081 0.000 0.009) 0.081 5.486 ( 0.274 0.000 0.269) 0.384 5.576 ( 4.333 0.000 -0.374) 4.349 5.579 ( -0.341 0.000 2.398) 2.422 5.701 ( -0.631 0.000 -1.145) 1.307 5.718 ( -0.687 0.000 -1.604) 1.745 5.738 ( -2.464 0.000 1.021) 2.667 5.803 ( -0.661 0.000 1.328) 1.484 5.868 ( -0.079 0.000 1.627) 1.628 5.907 ( 0.947 0.000 -0.072) 0.950 5.937 ( 0.935 0.000 -0.962) 1.341 6.056 ( 1.723 0.000 0.200) 1.735 6.280 ( 3.285 0.000 0.466) 3.318 6.303 ( 1.110 0.000 -0.436) 1.193 6.841 ( 0.035 0.000 -0.326) 0.328 6.858 ( 0.206 0.000 -0.069) 0.217 6.917 ( 0.368 0.000 0.062) 0.373 6.918 ( 0.840 0.000 0.272) 0.883 6.986 ( 0.989 0.000 0.070) 0.992 7.024 ( -1.051 0.000 1.110) 1.529 7.482 ( 0.289 0.000 -0.088) 0.302 7.515 ( -0.476 0.000 -0.135) 0.495 ======================= Grid point 3 (4/44) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 12.841 0.000 -0.334) 12.845 1.134 ( 2.209 0.000 1.312) 2.569 1.199 ( 5.006 0.000 -1.471) 5.217 1.264 ( 1.437 0.000 1.624) 2.168 1.384 ( -4.036 0.000 -4.731) 6.219 1.418 ( 1.505 0.000 4.289) 4.545 1.507 ( -1.162 0.000 0.117) 1.168 1.561 ( 2.540 0.000 1.239) 2.826 1.594 ( 5.687 0.000 1.997) 6.028 1.682 ( -5.295 0.000 2.252) 5.754 1.797 ( -0.735 0.000 -1.457) 1.632 1.828 ( 1.453 0.000 1.832) 2.338 1.837 ( 6.138 0.000 -0.869) 6.199 1.878 ( 1.055 0.000 3.234) 3.402 1.939 ( -1.988 0.000 -1.062) 2.254 2.015 ( -6.305 0.000 -0.164) 6.307 2.042 ( 9.702 0.000 1.100) 9.765 2.142 ( -2.877 0.000 0.857) 3.002 2.171 ( -0.644 0.000 -3.538) 3.596 2.195 ( -1.271 0.000 -0.675) 1.440 2.234 ( 1.005 0.000 1.144) 1.523 2.286 ( -1.247 0.000 0.088) 1.250 2.313 ( 3.039 0.000 1.114) 3.237 2.403 ( 5.239 0.000 1.097) 5.352 2.485 ( 0.249 0.000 -0.661) 0.706 2.526 ( 1.643 0.000 0.661) 1.771 2.544 ( 0.309 0.000 2.771) 2.788 2.563 ( 2.392 0.000 -0.404) 2.425 2.593 ( -5.382 0.000 1.503) 5.588 2.626 ( -2.609 0.000 -4.140) 4.894 2.690 ( 1.037 0.000 3.076) 3.246 2.705 ( -1.314 0.000 0.394) 1.372 2.749 ( -0.272 0.000 -0.669) 0.722 2.794 ( 2.726 0.000 -1.059) 2.924 2.856 ( 3.828 0.000 3.483) 5.175 2.889 ( -1.170 0.000 3.155) 3.365 2.902 ( -0.817 0.000 1.847) 2.019 2.909 ( 1.030 0.000 -3.214) 3.375 2.956 ( 4.270 0.000 -2.742) 5.074 2.981 ( 0.692 0.000 -2.089) 2.201 3.019 ( 4.088 0.000 -1.179) 4.254 3.049 ( 1.299 0.000 -0.506) 1.394 3.152 ( -10.115 0.000 -6.057) 11.790 3.159 ( 0.406 0.000 3.654) 3.676 3.185 ( 3.071 0.000 4.586) 5.520 3.233 ( -4.376 0.000 5.171) 6.774 3.261 ( -2.942 0.000 -1.624) 3.360 3.297 ( -2.808 0.000 -0.349) 2.829 3.297 ( -0.207 0.000 0.598) 0.633 3.314 ( -0.775 0.000 -2.048) 2.190 3.347 ( -0.620 0.000 1.360) 1.495 3.376 ( -3.080 0.000 0.254) 3.091 3.430 ( 2.301 0.000 -2.102) 3.117 3.446 ( 0.626 0.000 -5.348) 5.384 3.483 ( -2.709 0.000 1.675) 3.185 3.529 ( 4.242 0.000 3.820) 5.709 3.550 ( -1.585 0.000 -3.286) 3.649 3.584 ( -1.074 0.000 1.543) 1.880 3.703 ( 1.098 0.000 0.052) 1.099 3.714 ( 2.915 0.000 -0.233) 2.924 3.723 ( -4.859 0.000 -0.734) 4.914 3.772 ( -0.773 0.000 0.711) 1.050 3.793 ( -0.736 0.000 0.136) 0.749 3.833 ( -1.322 0.000 -2.340) 2.688 3.891 ( -6.243 0.000 -2.420) 6.696 3.898 ( -0.753 0.000 0.219) 0.785 3.933 ( 0.488 0.000 -0.714) 0.865 4.006 ( -0.803 0.000 1.432) 1.642 4.022 ( -0.275 0.000 -1.325) 1.353 4.031 ( 0.233 0.000 0.008) 0.233 4.071 ( 0.230 0.000 -0.211) 0.312 4.072 ( 2.771 0.000 -1.016) 2.951 4.100 ( -0.016 0.000 -0.192) 0.192 4.107 ( -2.491 0.000 -0.676) 2.581 4.163 ( -0.358 0.000 1.916) 1.949 4.204 ( -2.334 0.000 0.373) 2.364 4.255 ( 0.286 0.000 -0.729) 0.783 4.290 ( 0.002 0.000 -1.308) 1.308 4.297 ( -2.457 0.000 0.055) 2.458 4.325 ( -1.144 0.000 1.179) 1.643 4.375 ( 1.824 0.000 1.522) 2.376 4.413 ( 1.746 0.000 0.271) 1.767 4.441 ( 0.116 0.000 0.292) 0.315 4.561 ( 2.015 0.000 1.903) 2.772 4.586 ( 5.150 0.000 -1.442) 5.348 4.603 ( -1.611 0.000 -3.098) 3.492 4.648 ( -2.226 0.000 -0.458) 2.273 4.704 ( 0.492 0.000 -0.336) 0.596 4.739 ( -3.959 0.000 2.988) 4.960 4.809 ( -0.108 0.000 -3.136) 3.138 4.826 ( 1.528 0.000 0.031) 1.529 4.864 ( 0.143 0.000 0.731) 0.745 4.882 ( -0.870 0.000 0.323) 0.928 5.013 ( 0.445 0.000 -0.975) 1.072 5.072 ( -0.104 0.000 -0.789) 0.796 5.104 ( -0.337 0.000 1.690) 1.724 5.123 ( -0.742 0.000 -0.675) 1.003 5.208 ( 0.323 0.000 0.035) 0.325 5.392 ( -0.054 0.000 0.055) 0.077 5.490 ( 0.106 0.000 0.097) 0.143 5.577 ( 0.025 0.000 0.834) 0.834 5.636 ( 1.288 0.000 -0.593) 1.418 5.699 ( -1.172 0.000 0.251) 1.198 5.699 ( 0.434 0.000 -0.093) 0.444 5.702 ( -0.588 0.000 -0.508) 0.777 5.788 ( -0.586 0.000 0.449) 0.739 5.868 ( -0.002 0.000 0.454) 0.454 5.921 ( 0.367 0.000 -0.007) 0.367 5.951 ( 0.354 0.000 -0.298) 0.463 6.080 ( 0.543 0.000 0.145) 0.562 6.316 ( 0.613 0.000 -0.112) 0.623 6.332 ( 1.115 0.000 0.140) 1.123 6.841 ( 0.014 0.000 -0.129) 0.130 6.864 ( 0.231 0.000 -0.024) 0.232 6.922 ( 0.164 0.000 0.025) 0.166 6.944 ( 1.594 0.000 0.242) 1.612 6.978 ( -1.544 0.000 0.191) 1.555 7.021 ( 0.407 0.000 0.101) 0.419 7.487 ( 0.175 0.000 -0.041) 0.179 7.507 ( -0.251 0.000 -0.058) 0.257 ======================= Grid point 7 (5/44) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.000 20.251 0.000) 20.251 0.419 ( 0.000 21.313 0.000) 21.313 0.789 ( 0.000 -10.517 0.000) 10.517 0.804 ( 0.000 0.401 0.000) 0.401 0.859 ( 0.000 10.490 0.000) 10.490 1.264 ( 0.000 2.225 0.000) 2.225 1.265 ( 0.000 -2.743 0.000) 2.743 1.526 ( 0.000 15.009 0.000) 15.009 1.571 ( 0.000 10.670 0.000) 10.670 1.579 ( 0.000 -20.428 0.000) 20.428 1.710 ( 0.000 -0.144 0.000) 0.144 1.726 ( 0.000 -14.624 0.000) 14.624 1.756 ( 0.000 -7.012 0.000) 7.012 1.810 ( 0.000 -9.337 0.000) 9.337 1.859 ( 0.000 3.626 0.000) 3.626 1.937 ( 0.000 -4.773 0.000) 4.773 2.154 ( 0.000 5.039 0.000) 5.039 2.165 ( 0.000 -2.267 0.000) 2.267 2.180 ( 0.000 -0.159 0.000) 0.159 2.266 ( 0.000 -2.774 0.000) 2.774 2.283 ( 0.000 4.141 0.000) 4.141 2.322 ( 0.000 4.567 0.000) 4.567 2.375 ( 0.000 -2.958 0.000) 2.958 2.405 ( 0.000 -5.251 0.000) 5.251 2.407 ( 0.000 2.887 0.000) 2.887 2.474 ( 0.000 -2.577 0.000) 2.577 2.539 ( 0.000 2.312 0.000) 2.312 2.541 ( 0.000 2.369 0.000) 2.369 2.597 ( 0.000 -1.355 0.000) 1.355 2.653 ( 0.000 -7.614 0.000) 7.614 2.715 ( 0.000 5.900 0.000) 5.900 2.769 ( 0.000 0.178 0.000) 0.178 2.815 ( 0.000 7.441 0.000) 7.441 2.854 ( 0.000 8.880 0.000) 8.880 2.906 ( 0.000 -4.775 0.000) 4.775 2.920 ( 0.000 1.695 0.000) 1.695 2.936 ( 0.000 2.303 0.000) 2.303 2.991 ( 0.000 2.225 0.000) 2.225 3.005 ( 0.000 -0.326 0.000) 0.326 3.013 ( 0.000 -2.510 0.000) 2.510 3.065 ( 0.000 3.968 0.000) 3.968 3.081 ( 0.000 13.090 0.000) 13.090 3.097 ( 0.000 0.867 0.000) 0.867 3.143 ( 0.000 -1.261 0.000) 1.261 3.156 ( 0.000 -2.148 0.000) 2.148 3.272 ( 0.000 -0.774 0.000) 0.774 3.286 ( 0.000 4.489 0.000) 4.489 3.303 ( 0.000 -2.811 0.000) 2.811 3.330 ( 0.000 -0.945 0.000) 0.945 3.372 ( 0.000 -0.957 0.000) 0.957 3.407 ( 0.000 -2.281 0.000) 2.281 3.409 ( 0.000 -1.361 0.000) 1.361 3.503 ( 0.000 0.204 0.000) 0.204 3.538 ( 0.000 -3.587 0.000) 3.587 3.585 ( 0.000 2.582 0.000) 2.582 3.613 ( 0.000 -0.723 0.000) 0.723 3.630 ( 0.000 3.024 0.000) 3.024 3.692 ( 0.000 4.515 0.000) 4.515 3.694 ( 0.000 -0.429 0.000) 0.429 3.705 ( 0.000 -0.677 0.000) 0.677 3.759 ( 0.000 -4.772 0.000) 4.772 3.807 ( 0.000 -6.362 0.000) 6.362 3.890 ( 0.000 -2.608 0.000) 2.608 3.918 ( 0.000 -1.222 0.000) 1.222 3.956 ( 0.000 -1.428 0.000) 1.428 3.984 ( 0.000 2.516 0.000) 2.516 3.989 ( 0.000 -1.184 0.000) 1.184 4.030 ( 0.000 -1.740 0.000) 1.740 4.052 ( 0.000 6.111 0.000) 6.111 4.090 ( 0.000 2.942 0.000) 2.942 4.132 ( 0.000 2.783 0.000) 2.783 4.140 ( 0.000 -2.310 0.000) 2.310 4.170 ( 0.000 -3.190 0.000) 3.190 4.170 ( 0.000 -2.096 0.000) 2.096 4.234 ( 0.000 0.433 0.000) 0.433 4.246 ( 0.000 -2.907 0.000) 2.907 4.301 ( 0.000 -0.912 0.000) 0.912 4.302 ( 0.000 -0.241 0.000) 0.241 4.341 ( 0.000 1.635 0.000) 1.635 4.354 ( 0.000 -0.094 0.000) 0.094 4.369 ( 0.000 1.242 0.000) 1.242 4.450 ( 0.000 1.231 0.000) 1.231 4.474 ( 0.000 0.607 0.000) 0.607 4.475 ( 0.000 -5.365 0.000) 5.365 4.584 ( 0.000 -0.468 0.000) 0.468 4.595 ( 0.000 -1.899 0.000) 1.899 4.654 ( 0.000 0.390 0.000) 0.390 4.664 ( 0.000 -0.390 0.000) 0.390 4.715 ( 0.000 0.497 0.000) 0.497 4.721 ( 0.000 -0.123 0.000) 0.123 4.946 ( 0.000 1.257 0.000) 1.257 4.961 ( 0.000 0.153 0.000) 0.153 5.059 ( 0.000 1.432 0.000) 1.432 5.101 ( 0.000 -2.105 0.000) 2.105 5.110 ( 0.000 5.315 0.000) 5.315 5.181 ( 0.000 -0.816 0.000) 0.816 5.329 ( 0.000 0.872 0.000) 0.872 5.337 ( 0.000 -0.727 0.000) 0.727 5.346 ( 0.000 4.833 0.000) 4.833 5.456 ( 0.000 -2.870 0.000) 2.870 5.457 ( 0.000 2.071 0.000) 2.071 5.532 ( 0.000 -5.133 0.000) 5.133 5.723 ( 0.000 -0.137 0.000) 0.137 5.723 ( 0.000 -0.084 0.000) 0.084 5.829 ( 0.000 0.926 0.000) 0.926 5.853 ( 0.000 -0.948 0.000) 0.948 5.869 ( 0.000 -0.018 0.000) 0.018 5.870 ( 0.000 -0.588 0.000) 0.588 5.922 ( 0.000 1.164 0.000) 1.164 5.958 ( 0.000 -2.431 0.000) 2.431 6.110 ( 0.000 2.284 0.000) 2.284 6.146 ( 0.000 -1.242 0.000) 1.242 6.879 ( 0.000 0.646 0.000) 0.646 6.887 ( 0.000 -0.034 0.000) 0.034 6.916 ( 0.000 1.063 0.000) 1.063 6.931 ( 0.000 0.792 0.000) 0.792 6.949 ( 0.000 6.538 0.000) 6.538 7.034 ( 0.000 0.952 0.000) 0.952 7.421 ( 0.000 -2.922 0.000) 2.922 7.461 ( 0.000 -5.439 0.000) 5.439 ======================= Grid point 8 (6/44) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 15.782 13.718 3.395) 21.185 0.629 ( 16.375 14.119 -0.356) 21.624 0.928 ( 9.246 -15.604 2.557) 18.316 0.935 ( 11.004 -16.052 0.091) 19.462 1.051 ( 17.998 25.995 2.771) 31.739 1.260 ( 0.040 -1.265 -1.016) 1.623 1.285 ( 3.349 3.009 1.719) 4.819 1.542 ( -1.705 8.229 0.315) 8.410 1.563 ( 0.787 4.463 2.712) 5.282 1.628 ( 3.195 -2.026 3.888) 5.425 1.706 ( 5.751 -9.121 -0.190) 10.784 1.761 ( -0.860 -1.343 2.114) 2.648 1.815 ( 6.305 -9.829 -0.834) 11.707 1.863 ( 2.795 -5.242 2.114) 6.306 1.892 ( 1.816 -0.813 -1.142) 2.294 1.937 ( 3.035 -5.208 -0.645) 6.063 2.085 ( -4.571 1.755 -0.587) 4.931 2.145 ( -2.703 -5.645 -0.080) 6.260 2.187 ( -0.181 2.362 4.834) 5.383 2.250 ( -1.857 -2.785 2.765) 4.342 2.264 ( -1.812 4.972 -0.349) 5.303 2.311 ( -1.409 1.872 -2.858) 3.695 2.347 ( -2.266 -1.294 -0.649) 2.689 2.411 ( 1.351 1.018 0.350) 1.727 2.441 ( -0.719 -3.009 2.332) 3.874 2.466 ( 2.078 -0.045 2.819) 3.503 2.514 ( -0.223 2.108 -3.853) 4.398 2.545 ( -2.394 -1.423 -0.035) 2.785 2.580 ( -0.506 1.147 0.199) 1.269 2.674 ( 1.765 -5.947 -1.052) 6.292 2.734 ( -2.051 3.740 0.220) 4.271 2.753 ( -0.293 5.404 -1.389) 5.588 2.772 ( -0.854 2.740 1.481) 3.230 2.812 ( -4.875 -0.988 0.041) 4.974 2.856 ( 0.448 9.858 0.212) 9.870 2.914 ( -1.918 2.838 -1.219) 3.636 2.944 ( -3.170 1.351 2.268) 4.125 2.962 ( -1.593 1.577 1.219) 2.551 2.978 ( -1.309 -1.930 -1.727) 2.902 3.012 ( 0.833 -1.513 -0.082) 1.729 3.068 ( -0.948 6.427 0.360) 6.506 3.093 ( 0.463 2.943 -0.322) 2.997 3.097 ( 0.563 5.257 -2.190) 5.723 3.147 ( 2.624 1.014 1.459) 3.169 3.174 ( 0.538 -3.581 1.009) 3.759 3.271 ( 0.453 0.840 2.303) 2.493 3.280 ( -1.138 -3.123 -0.108) 3.325 3.309 ( -0.510 -2.327 2.343) 3.341 3.329 ( 1.230 4.804 0.531) 4.988 3.393 ( -0.526 -0.669 0.438) 0.957 3.409 ( 1.682 0.398 -1.973) 2.623 3.421 ( 0.605 -2.544 -0.251) 2.627 3.490 ( -2.221 -0.551 0.995) 2.495 3.533 ( -0.681 -4.125 0.730) 4.244 3.588 ( -0.549 0.912 0.567) 1.206 3.610 ( -0.531 -1.034 0.081) 1.165 3.633 ( -1.142 1.842 -0.987) 2.381 3.650 ( -3.694 0.845 -0.945) 3.906 3.658 ( -1.076 1.274 -2.165) 2.733 3.702 ( -0.421 1.968 -1.759) 2.672 3.742 ( -0.582 -4.744 -1.498) 5.008 3.819 ( 0.980 -2.591 -0.954) 2.930 3.884 ( -0.210 -1.141 0.138) 1.168 3.925 ( -0.192 1.921 0.141) 1.936 3.934 ( -1.345 -2.698 -2.527) 3.934 3.954 ( -2.126 1.229 -0.366) 2.483 3.983 ( -1.033 -0.865 0.081) 1.350 4.026 ( -0.655 -0.449 -0.087) 0.799 4.059 ( 0.163 3.830 -0.777) 3.912 4.096 ( -2.501 2.978 0.067) 3.889 4.110 ( 1.395 0.507 1.246) 1.938 4.131 ( -2.608 -1.254 -1.688) 3.350 4.146 ( -1.129 -1.714 -1.301) 2.430 4.187 ( 0.837 -1.121 -0.246) 1.420 4.228 ( -1.054 -2.952 3.050) 4.373 4.239 ( 0.400 -1.770 -1.420) 2.304 4.267 ( -2.470 -0.054 -0.987) 2.660 4.278 ( -2.431 -0.330 1.504) 2.878 4.336 ( -1.421 1.186 0.286) 1.873 4.364 ( 0.124 0.668 1.039) 1.241 4.367 ( 0.440 -0.938 -1.219) 1.600 4.425 ( -2.375 -0.284 0.900) 2.555 4.455 ( -1.063 -1.054 0.126) 1.502 4.475 ( 0.109 -0.983 -2.115) 2.334 4.565 ( -0.998 3.031 -0.671) 3.261 4.603 ( 0.163 -1.450 -1.933) 2.422 4.654 ( -0.034 0.658 3.004) 3.075 4.676 ( 1.812 -1.076 2.006) 2.910 4.718 ( -0.061 0.972 -1.428) 1.729 4.735 ( 1.482 -0.677 -0.459) 1.693 4.911 ( -3.145 0.794 1.887) 3.753 4.927 ( -2.567 -0.595 1.015) 2.824 5.034 ( -3.690 5.390 -3.055) 7.211 5.088 ( -0.895 1.931 -0.596) 2.210 5.109 ( -0.549 0.024 -2.022) 2.096 5.148 ( -1.794 -0.009 -1.400) 2.275 5.234 ( -5.283 3.554 -2.317) 6.776 5.254 ( -3.802 0.661 -0.796) 3.941 5.404 ( 1.460 2.358 0.325) 2.792 5.454 ( 0.669 -1.725 0.628) 1.954 5.497 ( 3.248 1.347 0.363) 3.534 5.558 ( 1.578 -3.346 1.403) 3.956 5.715 ( -0.684 -0.036 -1.177) 1.362 5.721 ( -0.230 -0.451 -1.334) 1.427 5.802 ( -1.990 1.295 1.450) 2.782 5.828 ( -2.001 -0.624 2.049) 2.932 5.873 ( 0.378 0.435 1.190) 1.322 5.880 ( 0.938 -0.121 0.224) 0.972 5.926 ( 0.764 1.283 -0.672) 1.638 5.970 ( 1.155 -3.054 -0.419) 3.292 6.202 ( 4.672 -0.039 0.448) 4.694 6.210 ( 6.430 -1.569 -0.188) 6.622 6.870 ( -0.446 1.057 -0.105) 1.152 6.889 ( -0.047 -0.085 -0.258) 0.276 6.920 ( 0.319 1.155 0.043) 1.199 6.941 ( 0.589 -0.936 -0.001) 1.106 6.956 ( 0.847 6.857 0.617) 6.936 7.037 ( 0.223 0.839 0.530) 1.017 7.421 ( 0.010 -3.145 -0.110) 3.147 7.457 ( -0.341 -5.375 -0.143) 5.388 ======================= Grid point 9 (7/44) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 14.793 10.732 -1.171) 18.313 0.962 ( 14.853 7.186 3.316) 16.830 1.103 ( 5.981 -5.699 0.395) 8.271 1.159 ( 9.780 -9.077 0.179) 13.345 1.264 ( 4.683 -1.792 1.505) 5.235 1.289 ( 5.923 -4.577 0.586) 7.508 1.478 ( -3.120 3.180 2.068) 4.911 1.520 ( 2.010 1.914 0.881) 2.912 1.614 ( 14.208 6.727 2.828) 15.972 1.729 ( 0.960 4.798 1.674) 5.171 1.765 ( 4.146 2.467 1.661) 5.102 1.816 ( 2.794 0.210 2.195) 3.559 1.872 ( -1.115 1.010 3.187) 3.525 1.885 ( 2.738 7.670 0.002) 8.144 1.950 ( -3.261 -1.057 1.386) 3.697 2.021 ( -0.696 -3.159 -2.384) 4.019 2.048 ( 8.087 -4.020 1.056) 9.093 2.149 ( 3.526 -13.055 1.123) 13.569 2.183 ( -0.632 -1.468 3.669) 4.002 2.188 ( 0.813 -7.816 0.072) 7.859 2.226 ( -2.428 3.944 1.200) 4.784 2.272 ( -0.841 5.865 -2.834) 6.568 2.293 ( -2.078 -1.823 -0.153) 2.768 2.405 ( -1.739 2.363 2.885) 4.115 2.426 ( -5.939 0.145 1.184) 6.057 2.445 ( 1.504 -5.289 0.227) 5.504 2.524 ( 1.035 1.622 -1.004) 2.170 2.556 ( 2.893 -0.825 -1.448) 3.339 2.586 ( 1.341 1.919 0.087) 2.343 2.669 ( -3.141 -2.698 -1.341) 4.353 2.681 ( -1.975 3.117 2.060) 4.226 2.752 ( 2.200 -2.571 0.333) 3.400 2.767 ( 0.585 3.619 -0.077) 3.666 2.798 ( -0.914 5.604 2.582) 6.237 2.818 ( -2.793 0.864 -2.133) 3.619 2.867 ( -0.633 6.307 -0.226) 6.343 2.887 ( -1.798 -0.223 3.497) 3.938 2.949 ( -0.721 3.390 -0.284) 3.478 2.958 ( 0.192 -0.020 -3.244) 3.250 3.012 ( -1.336 -2.160 -0.964) 2.717 3.081 ( 1.249 5.081 -0.388) 5.246 3.089 ( -0.389 0.572 0.890) 1.127 3.112 ( -0.007 1.692 1.360) 2.171 3.180 ( 1.360 2.256 -1.541) 3.052 3.189 ( 1.043 -2.314 2.261) 3.399 3.272 ( 0.300 -1.491 2.915) 3.288 3.282 ( 0.910 0.067 2.641) 2.794 3.309 ( -0.274 -1.395 2.879) 3.211 3.351 ( -1.379 1.197 -1.132) 2.148 3.374 ( -2.366 1.647 -0.011) 2.883 3.392 ( -3.061 0.198 -2.758) 4.125 3.403 ( -4.011 -1.101 0.037) 4.159 3.442 ( 0.699 -1.566 -2.175) 2.769 3.484 ( -3.261 -2.674 -1.078) 4.353 3.549 ( -2.798 2.028 0.129) 3.458 3.561 ( -2.203 0.017 -1.903) 2.911 3.592 ( -1.190 2.742 -1.796) 3.487 3.614 ( -0.804 -0.617 0.235) 1.041 3.640 ( -0.152 -1.604 -0.220) 1.626 3.696 ( -0.990 -5.305 -4.363) 6.939 3.783 ( 3.211 4.376 0.236) 5.433 3.814 ( -2.511 2.993 1.257) 4.104 3.866 ( -1.805 3.870 -1.081) 4.405 3.894 ( -0.535 -0.369 0.061) 0.652 3.914 ( -0.453 -1.503 -1.922) 2.481 3.950 ( -0.056 -1.683 -2.346) 2.888 3.965 ( -0.257 1.843 -0.131) 1.865 3.986 ( -1.922 -0.971 0.276) 2.171 4.023 ( -4.997 -0.013 -0.155) 4.999 4.048 ( -2.140 0.902 0.548) 2.386 4.080 ( -1.022 0.374 -3.050) 3.238 4.100 ( -1.405 -0.014 -1.621) 2.145 4.142 ( 0.549 0.996 -0.464) 1.228 4.159 ( -2.288 2.547 0.594) 3.475 4.201 ( -2.305 0.572 2.620) 3.536 4.214 ( -2.428 1.181 2.228) 3.501 4.236 ( -0.393 -2.085 -1.403) 2.544 4.284 ( 2.407 -7.222 1.328) 7.727 4.308 ( -0.919 -0.752 -0.339) 1.235 4.333 ( -3.284 -2.768 -1.233) 4.468 4.354 ( -1.598 0.845 2.010) 2.703 4.378 ( -1.578 -1.384 1.276) 2.456 4.463 ( 2.137 1.477 -2.030) 3.297 4.491 ( 1.537 0.247 -0.906) 1.802 4.551 ( -0.528 5.274 0.391) 5.314 4.604 ( 0.082 -0.959 -1.994) 2.214 4.664 ( 0.743 -0.559 1.656) 1.900 4.705 ( -0.424 -0.945 2.520) 2.724 4.721 ( 0.413 -0.516 -2.347) 2.439 4.760 ( 0.506 -2.403 -1.330) 2.793 4.858 ( -1.525 0.268 1.600) 2.227 4.869 ( -2.316 -0.981 2.589) 3.610 4.962 ( -2.340 5.211 -3.984) 6.964 5.026 ( -3.267 -0.929 -3.441) 4.835 5.107 ( 0.449 2.517 -1.699) 3.070 5.137 ( -0.585 -0.198 0.406) 0.739 5.167 ( -2.026 2.477 -0.568) 3.250 5.199 ( -1.405 -0.715 0.856) 1.794 5.417 ( 0.195 2.223 0.268) 2.247 5.463 ( 0.252 -2.075 0.465) 2.142 5.576 ( 3.524 0.400 -0.275) 3.557 5.586 ( 1.258 -0.029 0.741) 1.460 5.701 ( -0.546 0.238 -1.006) 1.170 5.713 ( -0.539 -0.694 -1.540) 1.773 5.761 ( -1.853 1.994 1.221) 2.983 5.794 ( -1.367 -0.996 1.767) 2.446 5.881 ( 0.322 0.987 0.837) 1.334 5.898 ( 0.808 -0.742 0.346) 1.150 5.945 ( 0.868 1.160 -0.545) 1.548 5.995 ( 1.073 -3.926 -0.138) 4.072 6.299 ( 4.327 1.464 0.342) 4.581 6.316 ( 3.956 0.212 -0.068) 3.962 6.866 ( 0.021 0.977 -0.074) 0.981 6.886 ( -0.170 0.243 -0.263) 0.396 6.927 ( 0.363 1.395 0.085) 1.444 6.950 ( 0.434 -0.018 -0.052) 0.437 6.979 ( 1.056 4.403 0.757) 4.590 7.042 ( 0.251 1.220 0.508) 1.345 7.422 ( 0.069 -3.657 -0.147) 3.661 7.449 ( -0.434 -5.208 -0.182) 5.229 ======================= Grid point 10 (8/44) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.631 0.055 0.530) 1.716 1.142 ( 2.612 -1.714 0.002) 3.124 1.243 ( 9.550 6.556 -2.348) 11.820 1.336 ( 6.632 5.685 1.464) 8.857 1.364 ( 5.150 -4.901 -1.979) 7.380 1.446 ( 1.866 -0.631 1.951) 2.773 1.474 ( 5.683 -5.139 1.437) 7.796 1.507 ( -0.293 -4.150 2.962) 5.107 1.579 ( -7.642 6.421 0.450) 9.991 1.736 ( -2.648 -7.836 1.279) 8.370 1.820 ( -3.116 4.224 1.523) 5.466 1.831 ( -0.749 0.474 1.185) 1.480 1.878 ( -1.373 2.251 -1.988) 3.302 1.902 ( -0.862 1.505 -0.088) 1.737 1.941 ( 3.827 9.506 -2.598) 10.572 2.039 ( -2.900 3.540 2.096) 5.033 2.098 ( 2.014 -1.586 0.220) 2.573 2.173 ( 4.433 4.191 1.454) 6.272 2.201 ( -0.056 2.349 0.999) 2.553 2.215 ( 1.955 0.016 2.485) 3.162 2.274 ( 2.010 -4.752 0.193) 5.164 2.310 ( -3.058 3.386 -0.223) 4.568 2.339 ( 5.151 -4.342 0.144) 6.738 2.355 ( 2.315 -6.041 -3.773) 7.489 2.384 ( 0.911 1.083 2.591) 2.952 2.492 ( 0.187 -0.663 2.092) 2.203 2.533 ( 1.326 -3.503 -0.316) 3.758 2.583 ( 0.640 -2.560 -3.360) 4.272 2.613 ( 1.596 0.528 -0.451) 1.741 2.621 ( -0.930 -0.175 3.981) 4.092 2.669 ( 0.493 1.898 -0.838) 2.133 2.742 ( -0.817 0.959 0.359) 1.310 2.763 ( -0.823 2.653 -0.776) 2.884 2.819 ( 1.980 -1.869 -1.379) 3.052 2.837 ( 1.489 5.691 1.481) 6.067 2.850 ( 1.104 0.664 4.319) 4.507 2.899 ( 0.910 2.910 2.014) 3.655 2.907 ( -2.271 0.641 -2.764) 3.634 2.940 ( -2.524 -0.335 -0.107) 2.548 3.011 ( 2.142 1.939 -1.455) 3.235 3.076 ( -0.629 -4.937 2.596) 5.613 3.082 ( -1.869 0.873 -1.340) 2.460 3.116 ( -0.735 -1.424 0.727) 1.760 3.157 ( -6.521 -0.427 -4.630) 8.008 3.192 ( -1.136 1.815 2.406) 3.221 3.229 ( -3.411 -2.421 0.331) 4.197 3.251 ( 0.992 2.904 -1.574) 3.449 3.293 ( -0.163 -1.216 1.218) 1.729 3.298 ( -0.749 0.443 1.672) 1.885 3.327 ( 0.498 -1.593 0.399) 1.716 3.368 ( -0.045 2.307 -1.587) 2.800 3.405 ( 1.603 -0.683 -1.492) 2.294 3.427 ( -2.711 0.612 0.285) 2.793 3.450 ( -1.166 -0.939 -0.550) 1.595 3.507 ( -1.253 0.963 -0.235) 1.598 3.550 ( 2.033 0.514 -1.783) 2.752 3.585 ( 0.029 2.189 1.388) 2.593 3.629 ( 1.433 1.075 -1.233) 2.174 3.651 ( 0.620 -1.384 0.448) 1.581 3.668 ( -1.248 2.342 -1.260) 2.938 3.745 ( -2.411 0.648 -0.889) 2.650 3.778 ( -1.895 0.196 0.833) 2.079 3.852 ( -1.851 0.592 -1.542) 2.480 3.878 ( -1.760 3.933 -0.040) 4.309 3.893 ( -2.177 -1.387 1.033) 2.780 3.924 ( 0.862 -1.272 -0.753) 1.711 3.937 ( -1.461 5.576 -0.878) 5.831 3.971 ( 0.610 -0.225 -0.116) 0.660 4.001 ( 1.570 0.166 -0.340) 1.615 4.027 ( -0.271 0.508 1.355) 1.473 4.079 ( 0.855 0.869 -2.564) 2.839 4.087 ( 0.050 0.141 -1.021) 1.032 4.125 ( -1.975 2.830 0.871) 3.559 4.131 ( -0.544 0.986 -0.101) 1.131 4.181 ( -0.558 1.545 1.412) 2.166 4.185 ( 0.481 -0.306 1.966) 2.047 4.235 ( -0.116 -1.358 -0.383) 1.416 4.244 ( -3.345 0.682 -1.644) 3.789 4.294 ( -0.181 -6.947 -0.615) 6.977 4.309 ( -1.114 -3.825 2.410) 4.656 4.327 ( -0.557 -1.303 0.221) 1.434 4.380 ( 1.246 -4.417 -0.445) 4.610 4.500 ( 0.432 7.113 0.223) 7.129 4.537 ( 2.606 -1.588 -0.619) 3.114 4.552 ( 0.752 -0.766 -0.015) 1.074 4.607 ( 0.761 -0.643 -1.647) 1.925 4.656 ( -3.029 -0.731 0.965) 3.262 4.677 ( -0.500 -2.600 1.344) 2.969 4.701 ( -1.741 -0.381 -0.525) 1.857 4.753 ( -0.352 -3.827 -1.032) 3.980 4.849 ( 0.562 1.002 0.118) 1.155 4.861 ( 0.098 -0.258 1.118) 1.151 4.935 ( -0.440 4.075 -1.472) 4.355 4.996 ( -0.150 -1.706 -1.360) 2.187 5.113 ( 0.056 1.256 -1.869) 2.252 5.122 ( -0.525 0.699 1.460) 1.702 5.137 ( -0.779 2.792 0.369) 2.922 5.190 ( -0.003 -1.854 0.233) 1.868 5.418 ( 0.006 2.355 0.137) 2.359 5.467 ( 0.089 -2.145 0.174) 2.153 5.604 ( 0.602 1.636 0.137) 1.748 5.622 ( 0.805 -0.567 -0.374) 1.053 5.699 ( 0.186 0.096 -0.215) 0.300 5.703 ( -0.234 -0.104 -0.314) 0.405 5.734 ( -0.637 2.489 0.185) 2.576 5.771 ( -0.819 -1.374 0.608) 1.711 5.886 ( 0.145 1.386 0.308) 1.427 5.910 ( 0.340 -0.993 0.128) 1.057 5.957 ( 0.295 1.017 -0.178) 1.074 6.009 ( 0.307 -4.383 0.008) 4.393 6.362 ( 1.631 2.235 0.101) 2.769 6.370 ( 1.319 2.198 -0.016) 2.564 6.868 ( 0.142 0.686 -0.024) 0.700 6.884 ( -0.057 0.441 -0.101) 0.456 6.933 ( 0.164 1.594 0.047) 1.603 6.958 ( 0.258 -0.589 0.007) 0.643 6.993 ( 0.322 4.595 0.339) 4.618 7.047 ( 0.168 1.523 0.156) 1.541 7.424 ( 0.067 -4.099 -0.066) 4.100 7.442 ( -0.212 -5.022 -0.085) 5.027 ======================= Grid point 21 (9/44) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -0.580 0.000 19.870) 19.878 0.479 ( 3.819 0.000 21.934) 22.265 0.817 ( 4.331 0.000 37.066) 37.318 1.107 ( -1.529 0.000 -2.278) 2.744 1.190 ( 0.106 0.000 2.128) 2.131 1.196 ( 4.529 0.000 3.051) 5.461 1.301 ( 1.302 0.000 6.240) 6.375 1.347 ( -2.125 0.000 4.607) 5.074 1.480 ( 4.829 0.000 7.430) 8.862 1.638 ( -0.493 0.000 -1.105) 1.209 1.723 ( 1.068 0.000 2.682) 2.887 1.843 ( -0.051 0.000 9.049) 9.049 1.894 ( -0.469 0.000 6.334) 6.352 1.943 ( 2.412 0.000 -2.289) 3.325 2.001 ( 0.747 0.000 2.410) 2.523 2.051 ( 1.366 0.000 -7.380) 7.506 2.093 ( 1.361 0.000 -3.709) 3.951 2.103 ( -0.100 0.000 -6.830) 6.830 2.122 ( -3.548 0.000 3.293) 4.841 2.142 ( 2.386 0.000 -3.787) 4.476 2.217 ( 0.940 0.000 0.325) 0.994 2.315 ( 0.411 0.000 -3.721) 3.744 2.340 ( -1.047 0.000 1.033) 1.471 2.406 ( 2.183 0.000 6.292) 6.660 2.438 ( 0.783 0.000 0.788) 1.111 2.443 ( -3.040 0.000 -5.045) 5.890 2.488 ( 0.541 0.000 -0.774) 0.944 2.574 ( 4.111 0.000 -0.591) 4.154 2.617 ( -1.543 0.000 -1.047) 1.865 2.664 ( -0.525 0.000 6.525) 6.546 2.688 ( -1.011 0.000 -3.891) 4.020 2.702 ( -1.261 0.000 2.940) 3.199 2.764 ( -0.077 0.000 5.858) 5.859 2.770 ( 0.761 0.000 -1.890) 2.038 2.813 ( -0.824 0.000 -1.079) 1.358 2.820 ( -2.504 0.000 1.131) 2.747 2.946 ( 0.162 0.000 3.247) 3.251 2.947 ( 2.046 0.000 -1.332) 2.442 2.981 ( 3.124 0.000 0.701) 3.202 3.000 ( 0.692 0.000 2.211) 2.317 3.042 ( -0.218 0.000 0.323) 0.389 3.052 ( -2.230 0.000 4.007) 4.586 3.056 ( 0.664 0.000 3.162) 3.231 3.143 ( 1.060 0.000 -4.695) 4.814 3.188 ( -0.606 0.000 -0.433) 0.744 3.243 ( 0.161 0.000 2.351) 2.356 3.253 ( 2.839 0.000 -0.054) 2.840 3.277 ( 1.534 0.000 -4.077) 4.356 3.358 ( 1.492 0.000 -2.170) 2.633 3.417 ( -1.976 0.000 1.262) 2.345 3.418 ( 1.115 0.000 1.348) 1.749 3.472 ( 3.365 0.000 -0.761) 3.450 3.498 ( -2.236 0.000 1.763) 2.848 3.515 ( -0.466 0.000 -6.669) 6.685 3.563 ( 2.447 0.000 -1.905) 3.101 3.594 ( -1.530 0.000 0.578) 1.635 3.624 ( 1.449 0.000 -1.297) 1.945 3.642 ( -4.165 0.000 -6.491) 7.712 3.659 ( -2.828 0.000 0.953) 2.985 3.684 ( -1.017 0.000 -2.026) 2.267 3.752 ( -0.083 0.000 -5.616) 5.617 3.786 ( -0.628 0.000 -2.318) 2.402 3.856 ( 0.455 0.000 -2.383) 2.426 3.879 ( 0.517 0.000 -2.605) 2.656 3.934 ( 0.877 0.000 -4.054) 4.148 3.940 ( -0.127 0.000 -2.724) 2.727 4.013 ( -1.470 0.000 -2.089) 2.554 4.013 ( -1.983 0.000 -1.399) 2.426 4.034 ( -1.523 0.000 -5.370) 5.582 4.088 ( -0.536 0.000 0.998) 1.132 4.093 ( 0.713 0.000 -2.117) 2.234 4.100 ( -4.382 0.000 -2.791) 5.195 4.123 ( 0.657 0.000 0.486) 0.817 4.196 ( -0.388 0.000 1.554) 1.602 4.220 ( -0.377 0.000 0.947) 1.019 4.222 ( 1.827 0.000 -3.095) 3.594 4.263 ( -0.747 0.000 -2.946) 3.039 4.300 ( -1.369 0.000 0.915) 1.647 4.331 ( -0.223 0.000 0.771) 0.802 4.366 ( -4.460 0.000 1.096) 4.592 4.392 ( 5.429 0.000 3.196) 6.300 4.427 ( 0.733 0.000 1.139) 1.354 4.471 ( 1.117 0.000 1.289) 1.705 4.514 ( -0.627 0.000 3.342) 3.400 4.526 ( 1.761 0.000 -2.106) 2.745 4.596 ( -2.197 0.000 0.743) 2.320 4.625 ( 0.376 0.000 -3.001) 3.025 4.667 ( -2.208 0.000 1.306) 2.565 4.702 ( 1.605 0.000 3.870) 4.189 4.818 ( 1.774 0.000 4.002) 4.377 4.939 ( 1.340 0.000 -1.300) 1.867 4.969 ( -0.534 0.000 1.028) 1.158 5.001 ( 1.292 0.000 -2.390) 2.717 5.066 ( -0.837 0.000 -2.962) 3.078 5.105 ( -17.270 0.000 -0.482) 17.277 5.161 ( -1.825 0.000 -2.126) 2.801 5.192 ( 0.249 0.000 2.051) 2.066 5.321 ( -1.371 0.000 1.841) 2.296 5.354 ( 0.275 0.000 0.567) 0.630 5.428 ( 0.784 0.000 -0.799) 1.120 5.453 ( 8.474 0.000 1.419) 8.592 5.487 ( 0.275 0.000 -0.024) 0.276 5.713 ( -1.444 0.000 -1.025) 1.771 5.721 ( -0.553 0.000 -0.251) 0.608 5.822 ( 0.654 0.000 -0.561) 0.862 5.824 ( 1.760 0.000 0.917) 1.985 5.866 ( -0.217 0.000 0.534) 0.576 5.950 ( -1.120 0.000 3.435) 3.613 6.001 ( -0.186 0.000 0.428) 0.467 6.080 ( 3.457 0.000 0.932) 3.581 6.165 ( 0.740 0.000 0.558) 0.927 6.338 ( -2.276 0.000 -0.656) 2.369 6.842 ( -0.293 0.000 0.290) 0.412 6.862 ( -0.117 0.000 0.076) 0.139 6.868 ( 0.604 0.000 0.204) 0.638 6.905 ( 0.098 0.000 -0.019) 0.100 6.939 ( 0.010 0.000 -0.156) 0.156 7.017 ( 2.401 0.000 -0.137) 2.405 7.478 ( -0.038 0.000 0.031) 0.049 7.529 ( -0.110 0.000 0.067) 0.129 ======================= Grid point 22 (10/44) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 12.463 0.000 13.975) 18.725 0.707 ( 15.967 0.000 14.751) 21.737 1.120 ( 2.717 0.000 -3.373) 4.331 1.129 ( 19.855 0.000 26.118) 32.808 1.189 ( 0.684 0.000 1.538) 1.683 1.312 ( -1.242 0.000 3.811) 4.009 1.341 ( 8.863 0.000 3.627) 9.576 1.398 ( 6.669 0.000 4.785) 8.208 1.587 ( 4.796 0.000 7.501) 8.903 1.620 ( -1.163 0.000 -0.601) 1.309 1.758 ( 1.764 0.000 5.644) 5.913 1.792 ( -0.799 0.000 5.545) 5.602 1.949 ( -1.652 0.000 -1.121) 1.997 1.965 ( 2.776 0.000 3.695) 4.622 1.998 ( -0.171 0.000 4.119) 4.123 2.039 ( -4.634 0.000 -2.030) 5.059 2.067 ( -0.880 0.000 -1.939) 2.130 2.084 ( 1.387 0.000 -8.892) 9.000 2.105 ( 0.171 0.000 -0.850) 0.867 2.188 ( 0.250 0.000 -2.054) 2.069 2.247 ( 1.324 0.000 -0.937) 1.622 2.286 ( -3.364 0.000 -0.006) 3.364 2.348 ( 0.494 0.000 -7.225) 7.242 2.383 ( -0.071 0.000 -3.952) 3.952 2.439 ( -0.434 0.000 1.449) 1.513 2.486 ( 4.788 0.000 8.435) 9.699 2.558 ( 5.544 0.000 3.970) 6.819 2.582 ( -3.032 0.000 -2.830) 4.147 2.627 ( -1.726 0.000 4.479) 4.800 2.640 ( -2.969 0.000 -2.691) 4.007 2.662 ( 2.038 0.000 -4.034) 4.519 2.690 ( 0.171 0.000 2.425) 2.431 2.708 ( -3.706 0.000 1.646) 4.055 2.761 ( 0.469 0.000 3.436) 3.467 2.807 ( 0.820 0.000 -1.108) 1.379 2.820 ( 1.012 0.000 1.982) 2.226 2.854 ( -5.718 0.000 -0.774) 5.770 2.940 ( -2.873 0.000 2.100) 3.558 2.988 ( 0.120 0.000 3.335) 3.337 3.028 ( 0.933 0.000 2.914) 3.060 3.044 ( -0.890 0.000 1.041) 1.370 3.070 ( 1.445 0.000 1.116) 1.826 3.139 ( 4.677 0.000 3.973) 6.137 3.149 ( -0.402 0.000 -0.404) 0.570 3.170 ( 1.028 0.000 -5.584) 5.678 3.265 ( -0.301 0.000 -2.907) 2.923 3.299 ( 3.684 0.000 2.491) 4.447 3.325 ( -0.135 0.000 -2.721) 2.724 3.367 ( -2.156 0.000 0.117) 2.159 3.379 ( 0.842 0.000 -0.154) 0.856 3.396 ( -4.720 0.000 -3.221) 5.714 3.457 ( -2.320 0.000 0.955) 2.509 3.469 ( -0.758 0.000 -2.521) 2.633 3.549 ( 3.295 0.000 0.581) 3.346 3.566 ( -0.573 0.000 -4.302) 4.340 3.577 ( -1.242 0.000 -0.747) 1.449 3.579 ( -3.138 0.000 -0.371) 3.159 3.630 ( 1.966 0.000 0.103) 1.969 3.651 ( -5.186 0.000 -4.351) 6.769 3.666 ( 3.083 0.000 -2.215) 3.796 3.690 ( -2.370 0.000 0.145) 2.375 3.803 ( 0.429 0.000 -4.849) 4.868 3.860 ( -2.453 0.000 -3.075) 3.933 3.878 ( 1.687 0.000 -0.883) 1.904 3.920 ( -2.430 0.000 -5.749) 6.241 3.923 ( -1.913 0.000 -1.114) 2.213 3.959 ( -3.621 0.000 -1.337) 3.860 3.963 ( -2.793 0.000 -0.876) 2.927 3.985 ( -1.728 0.000 -3.600) 3.993 4.015 ( -0.348 0.000 -8.422) 8.430 4.061 ( -0.985 0.000 2.335) 2.534 4.112 ( 0.764 0.000 -2.092) 2.228 4.150 ( -1.255 0.000 0.109) 1.260 4.181 ( -1.164 0.000 0.985) 1.525 4.194 ( -2.948 0.000 -2.081) 3.609 4.233 ( 2.288 0.000 2.121) 3.120 4.259 ( -2.792 0.000 0.640) 2.865 4.265 ( 0.758 0.000 -0.301) 0.815 4.338 ( 1.034 0.000 -0.262) 1.067 4.339 ( 2.188 0.000 -1.562) 2.688 4.415 ( -1.691 0.000 3.370) 3.771 4.452 ( 0.568 0.000 1.673) 1.767 4.490 ( -0.741 0.000 3.200) 3.285 4.502 ( 0.055 0.000 3.231) 3.231 4.548 ( 0.535 0.000 -2.718) 2.770 4.580 ( -3.905 0.000 1.528) 4.194 4.604 ( 2.634 0.000 -1.989) 3.301 4.637 ( -1.415 0.000 -3.319) 3.608 4.752 ( 2.565 0.000 3.654) 4.464 4.848 ( -5.447 0.000 5.329) 7.621 4.857 ( 1.897 0.000 5.738) 6.043 4.938 ( -1.668 0.000 1.466) 2.220 4.966 ( 1.289 0.000 -0.328) 1.330 5.026 ( 0.427 0.000 -2.177) 2.219 5.062 ( 0.796 0.000 -3.612) 3.698 5.089 ( -5.566 0.000 -0.926) 5.642 5.201 ( 0.241 0.000 2.547) 2.559 5.276 ( -1.990 0.000 2.168) 2.942 5.376 ( 0.851 0.000 -0.186) 0.871 5.463 ( 2.152 0.000 -0.903) 2.334 5.498 ( 1.112 0.000 -0.096) 1.116 5.569 ( 3.156 0.000 -2.364) 3.943 5.691 ( -0.646 0.000 -0.844) 1.063 5.697 ( -1.379 0.000 -0.620) 1.512 5.817 ( -1.463 0.000 0.947) 1.743 5.842 ( -0.126 0.000 1.053) 1.061 5.875 ( 0.802 0.000 -0.086) 0.807 5.938 ( -0.012 0.000 2.579) 2.579 6.019 ( 1.853 0.000 0.218) 1.866 6.049 ( -4.518 0.000 7.074) 8.394 6.214 ( 2.941 0.000 -0.544) 2.991 6.251 ( -0.945 0.000 -0.381) 1.019 6.838 ( -0.031 0.000 0.230) 0.232 6.858 ( -0.144 0.000 0.097) 0.173 6.899 ( 1.028 0.000 -0.721) 1.255 6.909 ( 0.286 0.000 -0.061) 0.292 6.952 ( 1.204 0.000 -0.407) 1.271 7.051 ( 0.024 0.000 -1.111) 1.111 7.477 ( 0.032 0.000 0.048) 0.057 7.523 ( -0.438 0.000 0.002) 0.438 ======================= Grid point 23 (11/44) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 14.253 0.000 7.171) 15.955 1.027 ( 13.689 0.000 7.728) 15.720 1.167 ( -0.973 0.000 -0.048) 0.974 1.195 ( 3.940 0.000 -5.344) 6.639 1.301 ( 0.308 0.000 2.581) 2.599 1.495 ( 3.998 0.000 3.664) 5.423 1.518 ( 9.521 0.000 9.893) 13.730 1.520 ( 7.647 0.000 3.042) 8.230 1.595 ( -1.329 0.000 1.711) 2.166 1.711 ( 8.207 0.000 4.893) 9.555 1.760 ( 0.112 0.000 2.994) 2.997 1.855 ( 3.804 0.000 1.253) 4.005 1.890 ( -3.775 0.000 -0.451) 3.802 1.919 ( -6.715 0.000 4.775) 8.239 1.954 ( 1.871 0.000 7.089) 7.332 2.029 ( -1.660 0.000 -0.457) 1.722 2.074 ( 2.370 0.000 -2.172) 3.215 2.081 ( -1.915 0.000 -5.433) 5.760 2.147 ( 4.546 0.000 1.332) 4.737 2.178 ( -0.084 0.000 -4.550) 4.551 2.195 ( -4.607 0.000 -2.635) 5.308 2.274 ( 1.737 0.000 -2.240) 2.834 2.345 ( -2.422 0.000 -2.704) 3.630 2.387 ( 0.123 0.000 -3.565) 3.567 2.404 ( -3.481 0.000 0.402) 3.504 2.496 ( -3.004 0.000 -5.068) 5.891 2.542 ( -3.133 0.000 0.258) 3.143 2.554 ( -0.551 0.000 1.529) 1.625 2.650 ( 1.045 0.000 -0.897) 1.378 2.660 ( 4.513 0.000 1.230) 4.677 2.693 ( 1.881 0.000 0.195) 1.891 2.711 ( 1.411 0.000 3.646) 3.910 2.726 ( 2.765 0.000 -0.456) 2.802 2.767 ( -0.484 0.000 1.420) 1.501 2.807 ( 3.220 0.000 0.972) 3.363 2.809 ( -0.915 0.000 -1.475) 1.736 2.851 ( 1.828 0.000 -0.496) 1.894 2.872 ( -2.478 0.000 1.507) 2.900 2.987 ( -3.125 0.000 0.260) 3.136 3.008 ( 0.247 0.000 4.410) 4.417 3.029 ( 0.407 0.000 2.149) 2.187 3.063 ( -1.497 0.000 2.546) 2.954 3.150 ( -3.847 0.000 -6.332) 7.409 3.185 ( 3.041 0.000 0.798) 3.144 3.219 ( -3.883 0.000 -5.395) 6.647 3.238 ( 4.110 0.000 3.289) 5.264 3.282 ( -2.636 0.000 -3.396) 4.299 3.311 ( -0.913 0.000 0.187) 0.932 3.321 ( -1.795 0.000 -1.612) 2.412 3.362 ( -1.767 0.000 0.898) 1.982 3.398 ( 0.602 0.000 -1.400) 1.524 3.414 ( 1.485 0.000 1.948) 2.449 3.459 ( -4.953 0.000 0.815) 5.020 3.498 ( -3.523 0.000 2.655) 4.412 3.521 ( -1.565 0.000 2.013) 2.549 3.564 ( -0.554 0.000 1.921) 1.999 3.568 ( 0.444 0.000 -2.615) 2.652 3.620 ( 2.249 0.000 0.608) 2.329 3.655 ( 0.826 0.000 -2.084) 2.242 3.689 ( 0.407 0.000 -0.549) 0.683 3.732 ( 2.631 0.000 -1.257) 2.916 3.742 ( -4.045 0.000 -4.955) 6.396 3.825 ( -1.487 0.000 -0.182) 1.498 3.859 ( -2.775 0.000 -0.724) 2.868 3.870 ( -2.807 0.000 -1.978) 3.434 3.910 ( 0.321 0.000 -2.292) 2.314 3.922 ( -0.674 0.000 0.086) 0.680 3.936 ( 1.030 0.000 -5.118) 5.220 3.964 ( -0.521 0.000 -4.264) 4.295 4.038 ( 1.875 0.000 -5.416) 5.731 4.038 ( -2.959 0.000 -1.956) 3.546 4.079 ( -0.313 0.000 5.103) 5.113 4.131 ( 1.391 0.000 -2.187) 2.592 4.144 ( -2.202 0.000 1.864) 2.886 4.152 ( -4.121 0.000 -0.676) 4.176 4.209 ( -1.089 0.000 -1.533) 1.880 4.271 ( -0.075 0.000 3.671) 3.672 4.291 ( 2.133 0.000 -3.742) 4.308 4.353 ( -0.024 0.000 0.167) 0.169 4.377 ( -1.585 0.000 3.851) 4.165 4.389 ( 1.512 0.000 -1.122) 1.883 4.453 ( -1.708 0.000 4.713) 5.013 4.466 ( -1.256 0.000 1.430) 1.903 4.513 ( 2.467 0.000 3.526) 4.303 4.518 ( -1.346 0.000 -1.598) 2.089 4.553 ( 0.129 0.000 -2.087) 2.091 4.595 ( -2.255 0.000 -3.732) 4.360 4.661 ( 2.712 0.000 -2.559) 3.728 4.744 ( -1.864 0.000 2.010) 2.741 4.866 ( 3.794 0.000 3.062) 4.876 4.897 ( 1.382 0.000 3.863) 4.103 4.911 ( -0.664 0.000 3.746) 3.804 4.957 ( -5.954 0.000 -0.173) 5.956 4.996 ( 1.098 0.000 1.943) 2.232 5.022 ( -0.503 0.000 -2.110) 2.169 5.087 ( 1.365 0.000 -2.485) 2.835 5.197 ( -0.664 0.000 3.408) 3.472 5.248 ( -0.849 0.000 2.659) 2.792 5.384 ( 0.033 0.000 -0.650) 0.651 5.483 ( 0.206 0.000 -0.688) 0.718 5.551 ( 3.334 0.000 -1.791) 3.785 5.596 ( -0.084 0.000 -0.851) 0.855 5.676 ( -0.631 0.000 -1.356) 1.496 5.687 ( 0.198 0.000 -0.242) 0.313 5.770 ( -2.725 0.000 1.506) 3.113 5.824 ( -1.403 0.000 0.634) 1.540 5.885 ( 0.060 0.000 -0.156) 0.167 5.942 ( 0.135 0.000 2.619) 2.622 5.990 ( -1.047 0.000 5.466) 5.565 6.060 ( 1.741 0.000 0.056) 1.742 6.251 ( 1.506 0.000 -3.432) 3.748 6.291 ( 2.733 0.000 0.098) 2.735 6.840 ( 0.161 0.000 0.314) 0.353 6.859 ( 0.271 0.000 0.195) 0.334 6.915 ( 0.286 0.000 -0.195) 0.346 6.917 ( 1.059 0.000 -0.319) 1.106 6.977 ( 1.039 0.000 -0.785) 1.302 7.029 ( -1.729 0.000 -0.662) 1.851 7.480 ( 0.230 0.000 -0.074) 0.241 7.513 ( -0.486 0.000 -0.048) 0.489 ======================= Grid point 24 (12/44) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 7.340 0.000 -0.844) 7.388 1.147 ( -0.725 0.000 -0.352) 0.806 1.236 ( 6.914 0.000 4.578) 8.292 1.283 ( 7.021 0.000 -0.618) 7.048 1.312 ( -0.705 0.000 0.615) 0.935 1.489 ( -6.028 0.000 1.745) 6.275 1.543 ( -3.252 0.000 3.091) 4.487 1.579 ( -0.635 0.000 0.219) 0.672 1.632 ( 2.195 0.000 1.308) 2.556 1.760 ( 1.296 0.000 -1.876) 2.280 1.783 ( -4.397 0.000 5.689) 7.190 1.813 ( 1.027 0.000 -0.136) 1.036 1.827 ( -4.320 0.000 -0.533) 4.353 1.893 ( 0.014 0.000 -1.109) 1.109 1.974 ( -0.126 0.000 1.964) 1.968 2.018 ( -2.841 0.000 -0.642) 2.912 2.094 ( 4.186 0.000 -0.040) 4.186 2.107 ( -3.312 0.000 -2.044) 3.891 2.167 ( 5.102 0.000 7.810) 9.329 2.202 ( 2.031 0.000 -3.817) 4.324 2.226 ( 1.006 0.000 -0.918) 1.362 2.269 ( -3.604 0.000 1.322) 3.839 2.291 ( 0.356 0.000 -3.057) 3.077 2.389 ( 0.354 0.000 -7.247) 7.256 2.408 ( 6.232 0.000 -2.205) 6.611 2.429 ( -3.209 0.000 -7.929) 8.553 2.492 ( -2.293 0.000 0.979) 2.493 2.572 ( -7.255 0.000 -5.291) 8.980 2.576 ( 2.912 0.000 -1.132) 3.124 2.687 ( -0.871 0.000 2.556) 2.700 2.703 ( -1.038 0.000 -2.438) 2.650 2.738 ( -2.620 0.000 1.343) 2.944 2.743 ( 0.744 0.000 1.442) 1.623 2.793 ( -1.259 0.000 -6.066) 6.196 2.805 ( 3.811 0.000 2.010) 4.308 2.866 ( 2.007 0.000 -2.989) 3.600 2.879 ( -0.645 0.000 0.508) 0.821 2.937 ( 1.293 0.000 0.496) 1.385 2.938 ( 3.823 0.000 -0.668) 3.881 2.978 ( -5.227 0.000 0.906) 5.305 3.017 ( 0.133 0.000 3.077) 3.080 3.057 ( 0.579 0.000 -0.818) 1.002 3.087 ( 3.107 0.000 2.359) 3.901 3.170 ( -0.656 0.000 -3.315) 3.379 3.192 ( -3.456 0.000 -2.272) 4.136 3.254 ( -1.190 0.000 -0.530) 1.302 3.256 ( -4.551 0.000 -0.322) 4.562 3.288 ( 0.419 0.000 -0.742) 0.852 3.292 ( -1.856 0.000 -0.240) 1.871 3.345 ( 2.841 0.000 2.119) 3.544 3.388 ( 1.856 0.000 3.624) 4.072 3.422 ( -3.834 0.000 3.673) 5.310 3.441 ( -0.481 0.000 4.984) 5.007 3.454 ( -2.210 0.000 1.321) 2.575 3.482 ( 2.476 0.000 2.049) 3.214 3.560 ( -0.076 0.000 1.930) 1.931 3.617 ( 3.954 0.000 1.031) 4.086 3.622 ( -1.375 0.000 1.336) 1.917 3.685 ( 0.089 0.000 -0.777) 0.782 3.695 ( 2.991 0.000 0.033) 2.991 3.721 ( 0.307 0.000 -2.283) 2.303 3.771 ( 0.843 0.000 -1.571) 1.783 3.778 ( -2.014 0.000 -0.737) 2.145 3.823 ( -1.940 0.000 2.231) 2.957 3.843 ( -2.291 0.000 -1.100) 2.541 3.844 ( 0.408 0.000 -4.275) 4.295 3.942 ( 2.063 0.000 0.960) 2.275 3.950 ( -0.663 0.000 -5.423) 5.464 3.965 ( 1.285 0.000 -4.966) 5.130 4.034 ( -0.922 0.000 0.858) 1.259 4.059 ( -0.286 0.000 0.558) 0.627 4.065 ( 0.753 0.000 0.459) 0.882 4.094 ( -1.263 0.000 2.099) 2.449 4.125 ( 1.713 0.000 1.820) 2.500 4.176 ( -1.945 0.000 -2.574) 3.226 4.198 ( 4.141 0.000 -1.431) 4.381 4.269 ( 0.102 0.000 4.084) 4.085 4.310 ( 0.126 0.000 -3.811) 3.813 4.320 ( -2.203 0.000 1.764) 2.823 4.352 ( -1.426 0.000 1.328) 1.949 4.383 ( -4.230 0.000 4.399) 6.103 4.417 ( 1.064 0.000 -0.184) 1.080 4.441 ( -1.389 0.000 0.501) 1.477 4.505 ( -0.573 0.000 -5.557) 5.586 4.550 ( -1.477 0.000 -5.294) 5.496 4.580 ( 2.218 0.000 0.300) 2.238 4.600 ( 4.956 0.000 1.861) 5.294 4.709 ( -0.999 0.000 -2.835) 3.006 4.716 ( 1.820 0.000 -0.125) 1.824 4.827 ( -4.622 0.000 5.161) 6.928 4.888 ( -0.503 0.000 1.265) 1.361 4.933 ( 0.701 0.000 5.921) 5.962 4.957 ( 2.884 0.000 2.336) 3.711 5.013 ( -0.181 0.000 -2.186) 2.194 5.024 ( 1.462 0.000 2.715) 3.084 5.105 ( 0.268 0.000 -0.922) 0.960 5.180 ( -0.721 0.000 3.943) 4.008 5.240 ( -0.145 0.000 2.250) 2.255 5.381 ( -0.231 0.000 -0.938) 0.966 5.483 ( -0.069 0.000 -0.759) 0.762 5.581 ( -1.229 0.000 -0.715) 1.422 5.609 ( 2.261 0.000 -1.880) 2.941 5.667 ( -0.084 0.000 -1.327) 1.329 5.695 ( 0.448 0.000 -0.202) 0.492 5.726 ( -1.340 0.000 1.122) 1.748 5.794 ( -1.356 0.000 0.085) 1.358 5.881 ( -0.293 0.000 0.723) 0.780 5.944 ( -0.059 0.000 2.345) 2.346 5.988 ( 0.261 0.000 3.142) 3.153 6.081 ( 0.316 0.000 -0.080) 0.326 6.277 ( 0.935 0.000 -3.102) 3.239 6.329 ( 0.828 0.000 -0.453) 0.944 6.844 ( 0.225 0.000 0.444) 0.498 6.866 ( 0.275 0.000 0.254) 0.374 6.919 ( 0.103 0.000 -0.294) 0.311 6.942 ( 1.295 0.000 -0.380) 1.350 6.972 ( -1.793 0.000 -0.657) 1.909 7.008 ( 0.021 0.000 -1.255) 1.255 7.485 ( 0.222 0.000 -0.126) 0.255 7.506 ( -0.187 0.000 -0.073) 0.200 ======================= Grid point 25 (13/44) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -3.032 0.000 0.543) 3.080 1.126 ( -6.235 0.000 0.004) 6.235 1.224 ( -4.917 0.000 -1.078) 5.034 1.255 ( -11.484 0.000 0.865) 11.516 1.356 ( 2.658 0.000 1.622) 3.114 1.477 ( 8.888 0.000 4.001) 9.747 1.515 ( -1.598 0.000 0.472) 1.667 1.536 ( -2.792 0.000 -0.835) 2.914 1.588 ( -4.487 0.000 2.373) 5.076 1.716 ( -2.382 0.000 5.043) 5.577 1.749 ( -1.839 0.000 -4.695) 5.043 1.804 ( -2.028 0.000 -2.107) 2.924 1.811 ( 2.678 0.000 -0.711) 2.771 1.835 ( -4.668 0.000 -0.623) 4.709 2.011 ( -2.688 0.000 4.511) 5.251 2.032 ( 5.075 0.000 0.688) 5.121 2.073 ( -6.323 0.000 0.904) 6.387 2.073 ( -0.877 0.000 -4.755) 4.836 2.164 ( -4.640 0.000 -2.640) 5.338 2.179 ( -0.146 0.000 -2.464) 2.469 2.228 ( 1.361 0.000 -2.291) 2.665 2.258 ( 1.436 0.000 0.851) 1.669 2.325 ( 0.373 0.000 1.630) 1.672 2.334 ( -2.819 0.000 -10.321) 10.699 2.391 ( -4.843 0.000 -1.785) 5.162 2.449 ( 3.240 0.000 -4.286) 5.373 2.473 ( -1.439 0.000 -2.844) 3.188 2.536 ( 2.269 0.000 -0.912) 2.445 2.634 ( 1.370 0.000 -1.375) 1.941 2.648 ( -2.505 0.000 -2.675) 3.665 2.675 ( 0.431 0.000 2.045) 2.090 2.710 ( 1.476 0.000 -0.176) 1.486 2.754 ( 0.397 0.000 3.609) 3.631 2.776 ( 2.007 0.000 -3.055) 3.655 2.848 ( -0.023 0.000 -0.261) 0.262 2.865 ( -1.000 0.000 4.864) 4.965 2.874 ( 0.491 0.000 0.404) 0.636 2.937 ( 0.040 0.000 -2.395) 2.396 2.949 ( 0.869 0.000 -5.191) 5.263 3.026 ( 3.731 0.000 0.093) 3.732 3.045 ( -2.381 0.000 1.695) 2.922 3.072 ( -4.766 0.000 0.173) 4.769 3.074 ( 0.792 0.000 -0.809) 1.132 3.147 ( -3.024 0.000 2.375) 3.845 3.155 ( -3.044 0.000 1.703) 3.489 3.200 ( 2.596 0.000 -3.135) 4.071 3.257 ( 2.778 0.000 -0.775) 2.884 3.274 ( 1.156 0.000 -3.339) 3.534 3.300 ( 2.008 0.000 -0.065) 2.009 3.323 ( -2.902 0.000 -0.340) 2.922 3.361 ( -1.486 0.000 2.411) 2.832 3.410 ( 1.305 0.000 2.085) 2.459 3.448 ( -1.459 0.000 0.500) 1.543 3.495 ( -1.544 0.000 0.300) 1.573 3.505 ( 5.016 0.000 3.042) 5.866 3.571 ( 1.564 0.000 4.080) 4.369 3.590 ( -1.424 0.000 3.498) 3.777 3.652 ( -1.469 0.000 2.057) 2.528 3.709 ( -2.133 0.000 0.589) 2.213 3.719 ( 2.164 0.000 2.479) 3.291 3.742 ( 5.607 0.000 -0.021) 5.607 3.764 ( 2.817 0.000 -0.108) 2.819 3.804 ( 2.301 0.000 -4.572) 5.119 3.827 ( -0.153 0.000 2.464) 2.469 3.870 ( 2.382 0.000 -1.105) 2.626 3.901 ( 4.191 0.000 -0.901) 4.287 3.945 ( 0.915 0.000 -6.424) 6.489 3.959 ( -1.054 0.000 0.803) 1.325 3.991 ( 1.555 0.000 -5.253) 5.479 4.010 ( 2.956 0.000 1.837) 3.481 4.062 ( -1.788 0.000 -0.980) 2.039 4.071 ( 0.497 0.000 1.368) 1.456 4.109 ( 1.654 0.000 3.335) 3.722 4.150 ( 0.459 0.000 2.627) 2.667 4.176 ( 2.363 0.000 -1.241) 2.669 4.218 ( -2.889 0.000 3.557) 4.583 4.273 ( -1.677 0.000 -3.760) 4.117 4.299 ( -1.723 0.000 1.931) 2.588 4.310 ( 1.620 0.000 0.998) 1.903 4.334 ( 2.201 0.000 -1.036) 2.432 4.347 ( 1.154 0.000 2.030) 2.335 4.408 ( -1.866 0.000 -0.240) 1.881 4.409 ( -1.731 0.000 -0.407) 1.778 4.484 ( -1.206 0.000 -5.105) 5.246 4.559 ( 2.697 0.000 -5.411) 6.046 4.633 ( 2.483 0.000 -0.030) 2.483 4.641 ( -3.717 0.000 2.473) 4.465 4.688 ( 2.196 0.000 -1.242) 2.523 4.762 ( -1.050 0.000 2.987) 3.166 4.779 ( 2.522 0.000 -0.447) 2.562 4.875 ( -1.347 0.000 1.231) 1.825 4.931 ( -0.694 0.000 6.238) 6.277 4.997 ( 1.312 0.000 4.107) 4.312 5.015 ( 0.409 0.000 -2.556) 2.589 5.063 ( 2.607 0.000 4.960) 5.603 5.093 ( -1.219 0.000 -0.785) 1.450 5.186 ( 1.291 0.000 4.104) 4.302 5.235 ( -0.473 0.000 1.968) 2.024 5.378 ( 0.036 0.000 -1.126) 1.126 5.480 ( -0.257 0.000 -0.872) 0.909 5.547 ( -1.897 0.000 -2.005) 2.760 5.629 ( -0.994 0.000 -1.344) 1.671 5.687 ( 2.105 0.000 -0.138) 2.110 5.701 ( 0.701 0.000 0.131) 0.713 5.715 ( -0.008 0.000 0.181) 0.181 5.777 ( -0.301 0.000 -0.419) 0.516 5.878 ( 0.013 0.000 1.343) 1.343 5.937 ( -0.749 0.000 1.467) 1.647 5.993 ( 0.069 0.000 3.046) 3.046 6.075 ( -0.743 0.000 -0.235) 0.779 6.283 ( -0.298 0.000 -2.748) 2.764 6.322 ( -1.439 0.000 -0.752) 1.624 6.849 ( 0.191 0.000 0.565) 0.597 6.867 ( -0.189 0.000 0.291) 0.347 6.918 ( -0.188 0.000 -0.333) 0.382 6.933 ( -1.680 0.000 -0.663) 1.806 6.966 ( 1.003 0.000 -0.725) 1.237 7.005 ( -0.502 0.000 -1.345) 1.435 7.486 ( -0.094 0.000 -0.088) 0.129 7.508 ( 0.370 0.000 -0.026) 0.371 ======================= Grid point 26 (14/44) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -17.226 0.000 3.765) 17.632 0.885 ( -14.539 0.000 7.766) 16.483 1.164 ( -0.705 0.000 -0.165) 0.724 1.175 ( -1.684 0.000 -2.993) 3.434 1.358 ( -2.415 0.000 0.152) 2.419 1.362 ( -9.234 0.000 -1.351) 9.332 1.503 ( -6.214 0.000 7.293) 9.581 1.516 ( -9.887 0.000 10.752) 14.607 1.592 ( -8.378 0.000 3.358) 9.026 1.602 ( 3.331 0.000 1.535) 3.668 1.676 ( -11.535 0.000 0.515) 11.547 1.718 ( 5.072 0.000 -1.292) 5.234 1.827 ( -2.797 0.000 2.112) 3.505 1.851 ( 8.300 0.000 -2.747) 8.743 1.896 ( 4.030 0.000 1.346) 4.249 2.048 ( -4.509 0.000 -2.873) 5.346 2.053 ( -0.628 0.000 -8.323) 8.347 2.075 ( 0.340 0.000 -0.376) 0.507 2.152 ( 4.332 0.000 -4.139) 5.991 2.182 ( -1.734 0.000 -2.259) 2.848 2.225 ( -1.403 0.000 -3.792) 4.043 2.290 ( 3.115 0.000 -1.902) 3.649 2.293 ( -1.417 0.000 4.024) 4.266 2.379 ( 5.700 0.000 -2.142) 6.089 2.390 ( 2.920 0.000 0.917) 3.061 2.479 ( -0.130 0.000 -6.592) 6.593 2.511 ( -1.437 0.000 0.015) 1.437 2.516 ( 3.277 0.000 0.946) 3.411 2.595 ( -4.400 0.000 -2.877) 5.257 2.684 ( 3.746 0.000 -1.666) 4.100 2.695 ( 0.428 0.000 0.145) 0.452 2.735 ( 1.324 0.000 1.860) 2.283 2.762 ( -0.839 0.000 5.831) 5.891 2.791 ( -5.617 0.000 3.134) 6.432 2.792 ( -1.665 0.000 -3.484) 3.862 2.860 ( -0.088 0.000 3.919) 3.920 2.881 ( 2.794 0.000 1.369) 3.112 2.931 ( -0.605 0.000 -0.419) 0.736 2.947 ( -2.830 0.000 -0.577) 2.888 2.967 ( -3.605 0.000 3.681) 5.152 3.028 ( 2.084 0.000 0.013) 2.084 3.075 ( -2.114 0.000 -1.360) 2.513 3.082 ( 0.422 0.000 3.005) 3.034 3.109 ( 1.966 0.000 -5.481) 5.823 3.120 ( 3.796 0.000 -0.855) 3.891 3.228 ( -2.097 0.000 -0.499) 2.155 3.283 ( -0.155 0.000 -2.282) 2.288 3.305 ( 1.588 0.000 0.285) 1.614 3.328 ( -1.759 0.000 -2.760) 3.273 3.345 ( 2.807 0.000 -5.573) 6.240 3.374 ( 2.446 0.000 -0.136) 2.450 3.436 ( -2.792 0.000 -0.974) 2.957 3.442 ( 1.869 0.000 2.008) 2.744 3.457 ( 4.645 0.000 -0.761) 4.707 3.564 ( 1.910 0.000 1.913) 2.704 3.570 ( -1.179 0.000 2.661) 2.910 3.620 ( 1.962 0.000 -2.127) 2.894 3.664 ( 2.546 0.000 2.404) 3.502 3.694 ( -0.291 0.000 -0.020) 0.292 3.742 ( -5.856 0.000 2.613) 6.413 3.754 ( 1.262 0.000 3.802) 4.006 3.807 ( -0.825 0.000 -4.525) 4.599 3.835 ( 3.373 0.000 -1.298) 3.614 3.862 ( 2.496 0.000 1.991) 3.193 3.931 ( -2.735 0.000 -1.076) 2.938 3.950 ( 5.751 0.000 -0.615) 5.784 3.955 ( 1.464 0.000 0.561) 1.568 3.982 ( 2.614 0.000 -6.118) 6.653 4.035 ( 2.177 0.000 -6.202) 6.573 4.040 ( 0.896 0.000 -0.321) 0.951 4.101 ( 2.838 0.000 0.622) 2.905 4.106 ( 3.334 0.000 0.420) 3.360 4.121 ( -1.822 0.000 4.504) 4.858 4.165 ( -0.634 0.000 -1.580) 1.702 4.195 ( 4.498 0.000 2.653) 5.222 4.208 ( -3.684 0.000 -2.754) 4.600 4.214 ( 1.126 0.000 -0.554) 1.255 4.272 ( -0.877 0.000 2.741) 2.878 4.351 ( -0.108 0.000 -0.550) 0.560 4.359 ( -2.084 0.000 -0.744) 2.213 4.362 ( 1.203 0.000 -0.381) 1.262 4.382 ( 1.778 0.000 0.130) 1.783 4.421 ( 2.906 0.000 3.782) 4.770 4.472 ( 0.134 0.000 -3.737) 3.740 4.566 ( -2.971 0.000 3.582) 4.654 4.611 ( 1.498 0.000 -4.166) 4.427 4.675 ( 1.809 0.000 -0.672) 1.930 4.702 ( -0.887 0.000 0.007) 0.887 4.728 ( -2.082 0.000 2.691) 3.403 4.829 ( -2.675 0.000 2.496) 3.659 4.845 ( 3.271 0.000 -2.717) 4.252 4.920 ( -0.267 0.000 5.177) 5.184 5.025 ( 0.282 0.000 -2.889) 2.903 5.036 ( 2.932 0.000 5.394) 6.139 5.071 ( -0.543 0.000 -1.355) 1.459 5.135 ( 4.284 0.000 7.377) 8.531 5.220 ( -0.976 0.000 2.252) 2.454 5.230 ( 2.699 0.000 3.529) 4.443 5.382 ( 0.312 0.000 -0.891) 0.944 5.473 ( -0.416 0.000 -0.965) 1.051 5.505 ( -2.435 0.000 -4.056) 4.730 5.566 ( -4.442 0.000 -1.191) 4.598 5.718 ( 0.121 0.000 -0.570) 0.583 5.732 ( 1.840 0.000 1.457) 2.347 5.742 ( 3.034 0.000 0.869) 3.156 5.771 ( -0.419 0.000 -1.338) 1.402 5.888 ( 1.140 0.000 2.166) 2.448 5.916 ( -1.163 0.000 1.014) 1.543 5.990 ( -0.496 0.000 3.319) 3.356 6.052 ( -1.477 0.000 -0.160) 1.486 6.260 ( -2.668 0.000 -1.661) 3.142 6.283 ( -1.156 0.000 -1.303) 1.742 6.851 ( 0.013 0.000 0.614) 0.614 6.862 ( -0.201 0.000 0.294) 0.356 6.908 ( -0.817 0.000 -0.579) 1.002 6.913 ( -0.332 0.000 -0.288) 0.439 6.974 ( -0.646 0.000 -0.894) 1.103 6.996 ( 0.087 0.000 -1.264) 1.267 7.483 ( -0.216 0.000 -0.007) 0.216 7.518 ( 0.542 0.000 0.066) 0.546 ======================= Grid point 27 (15/44) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -11.830 0.000 14.017) 18.342 0.594 ( -13.287 0.000 13.858) 19.199 1.018 ( -19.029 0.000 21.206) 28.492 1.144 ( -0.955 0.000 -1.063) 1.429 1.201 ( -2.801 0.000 3.987) 4.872 1.202 ( -5.807 0.000 -0.876) 5.873 1.333 ( -1.460 0.000 1.572) 2.146 1.401 ( -3.610 0.000 6.356) 7.309 1.458 ( -6.057 0.000 6.114) 8.606 1.637 ( 0.710 0.000 -0.402) 0.816 1.670 ( 4.667 0.000 5.543) 7.246 1.805 ( 0.442 0.000 4.675) 4.696 1.851 ( 6.437 0.000 -1.484) 6.606 1.962 ( -2.239 0.000 4.634) 5.146 1.979 ( 0.996 0.000 0.962) 1.385 2.006 ( 6.385 0.000 -2.836) 6.987 2.047 ( 0.243 0.000 -10.412) 10.415 2.074 ( -0.064 0.000 -3.020) 3.021 2.146 ( -0.434 0.000 2.011) 2.057 2.150 ( -1.073 0.000 -7.736) 7.810 2.257 ( -3.325 0.000 0.537) 3.368 2.285 ( 3.685 0.000 -2.435) 4.417 2.329 ( 1.280 0.000 -1.172) 1.736 2.427 ( -2.662 0.000 7.196) 7.672 2.430 ( -0.045 0.000 0.458) 0.460 2.459 ( 2.426 0.000 -1.635) 2.926 2.501 ( -3.422 0.000 -5.842) 6.770 2.536 ( 0.544 0.000 -2.945) 2.995 2.610 ( 5.039 0.000 4.294) 6.620 2.653 ( -1.778 0.000 -2.069) 2.728 2.704 ( -0.488 0.000 -3.310) 3.346 2.727 ( -0.378 0.000 4.677) 4.693 2.758 ( -0.437 0.000 -1.179) 1.257 2.775 ( 0.151 0.000 4.034) 4.037 2.807 ( 3.876 0.000 1.897) 4.315 2.828 ( -3.622 0.000 4.881) 6.078 2.902 ( 2.170 0.000 1.129) 2.446 2.917 ( 0.318 0.000 0.570) 0.653 2.947 ( 2.953 0.000 1.297) 3.225 2.952 ( -0.363 0.000 1.395) 1.441 3.032 ( -0.813 0.000 -0.265) 0.855 3.090 ( 1.177 0.000 0.742) 1.391 3.102 ( 1.080 0.000 -0.413) 1.157 3.130 ( -1.372 0.000 -3.046) 3.340 3.181 ( -1.281 0.000 0.524) 1.384 3.202 ( 2.705 0.000 0.693) 2.792 3.250 ( 0.758 0.000 -5.178) 5.234 3.290 ( -2.918 0.000 4.505) 5.367 3.347 ( 0.416 0.000 -4.227) 4.248 3.370 ( 2.105 0.000 -0.189) 2.114 3.415 ( 2.315 0.000 -3.137) 3.899 3.425 ( 1.000 0.000 -1.671) 1.948 3.491 ( 2.248 0.000 -4.060) 4.640 3.530 ( -1.939 0.000 1.555) 2.486 3.564 ( 4.376 0.000 -2.498) 5.039 3.604 ( 1.340 0.000 1.150) 1.765 3.604 ( -5.269 0.000 1.505) 5.480 3.659 ( 1.700 0.000 -5.912) 6.152 3.699 ( 0.179 0.000 -0.393) 0.432 3.704 ( -1.168 0.000 2.274) 2.556 3.763 ( -1.047 0.000 -4.767) 4.880 3.789 ( 0.349 0.000 1.590) 1.628 3.862 ( -0.866 0.000 -4.249) 4.336 3.875 ( 0.117 0.000 -0.687) 0.697 3.906 ( 1.328 0.000 0.129) 1.334 3.966 ( -1.984 0.000 -3.012) 3.607 3.992 ( 2.309 0.000 -1.377) 2.688 4.048 ( -0.394 0.000 -6.436) 6.448 4.070 ( 1.555 0.000 -1.224) 1.978 4.073 ( -1.859 0.000 -1.888) 2.649 4.085 ( 0.014 0.000 0.267) 0.267 4.121 ( 1.015 0.000 -0.815) 1.302 4.132 ( -0.174 0.000 0.852) 0.869 4.171 ( 2.929 0.000 0.103) 2.931 4.209 ( -0.431 0.000 -1.325) 1.393 4.209 ( 1.816 0.000 -0.009) 1.816 4.268 ( 0.038 0.000 -1.037) 1.038 4.289 ( 2.589 0.000 1.136) 2.827 4.318 ( -0.110 0.000 4.461) 4.462 4.336 ( -0.450 0.000 0.807) 0.924 4.393 ( 1.912 0.000 -0.069) 1.914 4.428 ( 0.309 0.000 -0.521) 0.606 4.461 ( 0.753 0.000 3.026) 3.118 4.486 ( 1.490 0.000 -1.533) 2.138 4.528 ( -1.075 0.000 3.631) 3.786 4.614 ( -0.133 0.000 -3.149) 3.152 4.658 ( -3.194 0.000 1.436) 3.502 4.694 ( -0.827 0.000 1.888) 2.062 4.695 ( -0.220 0.000 0.531) 0.575 4.797 ( -0.147 0.000 2.531) 2.535 4.903 ( 2.378 0.000 -2.097) 3.170 4.936 ( 1.939 0.000 2.247) 2.968 5.012 ( -1.195 0.000 -2.001) 2.330 5.074 ( 0.295 0.000 -2.289) 2.308 5.118 ( 4.227 0.000 2.389) 4.855 5.199 ( -0.902 0.000 2.089) 2.275 5.242 ( 6.272 0.000 8.011) 10.174 5.289 ( 2.736 0.000 2.992) 4.054 5.384 ( -0.581 0.000 -0.144) 0.599 5.418 ( -6.910 0.000 -6.050) 9.184 5.448 ( -2.642 0.000 -1.549) 3.062 5.491 ( -1.369 0.000 -0.211) 1.385 5.720 ( 0.220 0.000 -0.213) 0.306 5.743 ( -1.161 0.000 0.119) 1.168 5.783 ( 1.928 0.000 -0.140) 1.933 5.797 ( 2.030 0.000 0.311) 2.054 5.885 ( -1.397 0.000 -0.160) 1.406 5.951 ( 4.776 0.000 5.072) 6.967 5.977 ( -0.304 0.000 3.710) 3.722 6.020 ( -1.508 0.000 0.240) 1.527 6.193 ( -2.975 0.000 -0.321) 2.993 6.291 ( 2.082 0.000 -0.381) 2.116 6.848 ( -0.301 0.000 0.486) 0.571 6.861 ( 0.091 0.000 0.205) 0.224 6.894 ( -0.952 0.000 -1.098) 1.453 6.906 ( -0.238 0.000 -0.155) 0.284 6.951 ( -1.158 0.000 -0.516) 1.268 6.999 ( 0.039 0.000 -0.776) 0.777 7.479 ( -0.130 0.000 0.074) 0.150 7.527 ( 0.309 0.000 0.102) 0.326 ======================= Grid point 28 (16/44) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 2.490 13.700 13.259) 19.227 0.645 ( 0.420 12.285 17.341) 21.256 0.881 ( 0.908 -16.478 6.090) 17.590 0.925 ( 1.489 -15.441 10.287) 18.613 1.122 ( 3.435 21.382 19.232) 28.963 1.237 ( -0.254 0.246 -0.282) 0.453 1.300 ( 1.157 5.216 4.323) 6.872 1.563 ( 0.580 8.636 3.702) 9.414 1.620 ( 2.666 9.556 4.921) 11.074 1.663 ( 1.615 -6.335 3.549) 7.439 1.753 ( -0.095 1.663 1.826) 2.472 1.819 ( 3.076 -7.108 4.557) 8.986 1.855 ( 1.158 -5.988 5.610) 8.286 1.869 ( -0.867 -15.058 9.109) 17.621 1.896 ( -1.140 -0.528 5.769) 5.904 1.955 ( -1.141 -5.263 2.286) 5.851 2.061 ( 0.552 0.263 -6.062) 6.093 2.091 ( 0.686 -5.066 -6.261) 8.083 2.179 ( 1.778 2.667 -5.605) 6.457 2.196 ( 4.034 1.018 -0.018) 4.160 2.258 ( -1.609 4.299 -3.883) 6.012 2.287 ( 0.443 5.347 -1.807) 5.661 2.343 ( -1.457 -1.000 -3.345) 3.783 2.393 ( 2.041 -2.864 0.261) 3.526 2.407 ( -0.115 -1.339 0.429) 1.411 2.448 ( 0.960 -3.964 -0.108) 4.080 2.472 ( 0.044 5.609 -4.543) 7.218 2.577 ( 0.487 -3.470 -1.943) 4.007 2.618 ( -1.661 -0.589 2.708) 3.231 2.648 ( -1.670 -2.425 -1.208) 3.183 2.720 ( -0.603 4.896 1.151) 5.066 2.762 ( -0.680 1.624 -1.568) 2.358 2.797 ( 0.940 3.520 -0.311) 3.657 2.846 ( 2.351 1.985 2.519) 3.977 2.918 ( -1.062 3.289 -1.516) 3.774 2.938 ( 0.375 2.800 0.310) 2.842 2.948 ( 0.588 -0.185 0.867) 1.063 2.973 ( -0.196 1.495 -1.731) 2.295 3.003 ( 0.340 1.082 0.275) 1.167 3.024 ( -1.616 -1.886 0.672) 2.573 3.057 ( 0.586 4.516 -0.709) 4.609 3.085 ( 0.966 3.001 2.135) 3.807 3.129 ( -0.884 2.073 1.367) 2.635 3.161 ( 1.444 1.997 0.559) 2.527 3.164 ( 0.821 1.768 1.306) 2.346 3.242 ( 2.217 0.734 -1.474) 2.761 3.275 ( 1.181 0.388 -1.535) 1.975 3.301 ( -0.548 2.273 -0.668) 2.432 3.356 ( 0.621 -1.675 2.754) 3.283 3.368 ( -0.229 0.008 -0.874) 0.904 3.416 ( -0.115 -3.047 0.247) 3.059 3.425 ( 0.618 -2.884 0.431) 2.981 3.451 ( -1.055 -0.187 -2.092) 2.350 3.486 ( 0.648 -3.291 -4.676) 5.755 3.592 ( 0.346 2.290 -1.594) 2.812 3.609 ( -1.538 0.489 -2.011) 2.579 3.624 ( -0.146 -1.050 0.406) 1.135 3.647 ( -2.140 1.288 -2.446) 3.496 3.655 ( -2.326 2.005 -3.697) 4.806 3.684 ( 1.689 0.650 -1.049) 2.092 3.755 ( -2.620 -0.565 -0.463) 2.720 3.772 ( 0.198 -2.762 -3.405) 4.389 3.805 ( -0.467 -0.605 -5.300) 5.354 3.891 ( 0.053 2.024 -3.894) 4.389 3.918 ( -1.428 -3.387 -5.140) 6.319 3.962 ( -0.427 1.042 -0.975) 1.490 3.980 ( -0.311 -3.088 -2.688) 4.105 4.023 ( -1.260 -3.365 1.922) 4.075 4.041 ( 1.946 4.683 -0.803) 5.134 4.077 ( 1.033 0.678 -3.023) 3.266 4.087 ( -1.823 2.091 -1.803) 3.309 4.148 ( -1.387 -0.067 0.019) 1.388 4.174 ( -0.484 -1.212 -1.089) 1.700 4.186 ( -0.406 0.147 1.532) 1.592 4.217 ( 0.900 1.080 1.377) 1.968 4.262 ( 0.514 -2.889 0.465) 2.971 4.281 ( -0.624 2.870 0.367) 2.960 4.316 ( -0.534 1.199 1.729) 2.171 4.333 ( -0.043 0.102 -0.065) 0.128 4.355 ( -0.358 -4.377 1.377) 4.603 4.391 ( -0.739 0.457 1.056) 1.368 4.458 ( 1.572 -2.971 -0.411) 3.386 4.491 ( 0.993 0.409 0.552) 1.208 4.519 ( -0.579 0.563 2.200) 2.344 4.559 ( -0.262 4.008 -4.189) 5.803 4.581 ( 0.386 0.720 -1.344) 1.573 4.618 ( -1.472 -2.186 1.162) 2.880 4.622 ( 0.012 -2.373 -1.542) 2.830 4.755 ( 1.015 2.962 2.307) 3.889 4.793 ( 1.256 -1.568 2.824) 3.466 4.939 ( 1.047 1.659 -0.090) 1.964 4.963 ( -0.189 -0.469 0.498) 0.710 5.016 ( 0.498 0.890 -3.475) 3.622 5.048 ( -0.237 -0.910 -3.442) 3.568 5.116 ( -4.163 2.386 -0.494) 4.824 5.159 ( -2.106 -0.910 -2.262) 3.222 5.312 ( -4.676 2.298 -1.020) 5.309 5.328 ( -3.294 0.151 0.425) 3.325 5.371 ( 2.391 3.426 0.931) 4.280 5.432 ( 0.491 -0.006 -1.619) 1.692 5.470 ( 2.256 -0.930 0.760) 2.556 5.480 ( 2.117 -0.478 -1.550) 2.667 5.710 ( -0.784 0.111 -0.693) 1.052 5.717 ( -0.770 -0.383 -0.285) 0.906 5.830 ( 1.238 0.855 -0.247) 1.525 5.838 ( 0.881 0.373 -0.443) 1.054 5.877 ( 0.170 1.709 1.492) 2.275 5.938 ( -0.662 -2.430 2.653) 3.658 5.977 ( -0.099 -0.804 2.209) 2.353 6.020 ( 2.595 -7.527 5.144) 9.479 6.123 ( -1.210 1.803 1.205) 2.483 6.162 ( 0.284 -1.971 1.786) 2.675 6.879 ( -0.236 0.775 0.030) 0.811 6.884 ( -0.122 0.306 -0.193) 0.382 6.915 ( 0.028 1.066 -0.068) 1.069 6.931 ( 0.242 0.259 -0.037) 0.357 6.950 ( 0.337 7.080 0.175) 7.090 7.036 ( 0.547 0.715 0.090) 0.905 7.423 ( -0.104 -2.951 0.119) 2.956 7.461 ( -0.140 -5.420 0.054) 5.422 ======================= Grid point 29 (17/44) ======================= q-point: ( 0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 11.219 11.766 9.377) 18.768 0.811 ( 13.055 9.494 12.907) 20.667 0.978 ( 7.284 -11.917 3.428) 14.381 1.052 ( 8.730 -13.322 8.596) 18.099 1.233 ( 0.448 -0.027 -0.335) 0.560 1.240 ( 2.971 1.129 4.295) 5.343 1.413 ( 12.730 18.145 16.219) 27.465 1.580 ( 0.375 7.097 2.732) 7.614 1.633 ( -0.483 0.163 1.280) 1.377 1.750 ( 2.596 4.104 4.782) 6.815 1.778 ( 4.969 0.650 4.719) 6.884 1.829 ( -0.623 4.241 5.402) 6.897 1.888 ( 1.104 -5.961 2.932) 6.735 1.917 ( 0.856 -3.549 3.351) 4.956 1.929 ( 5.553 -10.631 5.715) 13.286 1.962 ( 4.481 -8.933 5.236) 11.282 2.038 ( -2.746 0.736 -2.881) 4.048 2.088 ( -0.305 -8.833 -4.450) 9.895 2.194 ( -0.420 2.826 -6.060) 6.699 2.202 ( -2.014 1.366 -5.109) 5.659 2.253 ( -1.275 2.076 0.096) 2.438 2.283 ( -0.636 8.963 1.727) 9.150 2.318 ( -0.833 -3.365 -1.368) 3.727 2.384 ( -0.547 -0.547 -3.980) 4.054 2.440 ( 0.381 -1.632 -1.481) 2.236 2.447 ( -0.734 -3.004 -2.557) 4.013 2.488 ( 1.691 2.200 0.292) 2.790 2.558 ( -0.681 -3.229 0.680) 3.369 2.599 ( -1.109 0.468 1.309) 1.778 2.647 ( 1.356 -2.142 -1.975) 3.214 2.698 ( -2.532 1.980 -1.535) 3.562 2.732 ( -1.487 -0.453 -1.760) 2.348 2.793 ( -0.523 6.185 1.401) 6.364 2.842 ( -2.183 4.154 2.766) 5.447 2.883 ( -0.512 5.260 1.384) 5.463 2.907 ( -3.163 1.055 -0.676) 3.402 2.954 ( -1.979 0.566 0.497) 2.118 2.963 ( 0.532 2.616 -0.562) 2.728 2.996 ( -0.922 0.757 0.847) 1.463 3.016 ( 0.176 -0.604 0.249) 0.677 3.071 ( -0.772 1.733 0.911) 2.104 3.095 ( 0.493 4.578 1.230) 4.766 3.108 ( -1.221 -0.396 1.096) 1.688 3.159 ( 0.780 -1.327 -1.088) 1.885 3.198 ( 2.181 4.525 2.187) 5.478 3.268 ( 0.202 1.362 -1.442) 1.994 3.307 ( 0.241 -1.951 0.049) 1.967 3.329 ( 2.430 1.670 0.431) 2.979 3.345 ( -1.280 -2.251 1.522) 3.004 3.378 ( 1.180 0.949 -0.881) 1.752 3.389 ( -2.508 0.682 -2.282) 3.459 3.429 ( 0.856 -2.835 0.032) 2.961 3.455 ( -0.875 -1.272 -2.022) 2.545 3.478 ( -1.459 -2.755 -4.343) 5.346 3.541 ( -2.358 -0.905 -4.809) 5.432 3.588 ( -2.025 0.286 -1.942) 2.821 3.593 ( -2.372 -1.084 -1.237) 2.887 3.600 ( -1.636 -1.997 -3.075) 4.015 3.660 ( 1.698 1.467 0.574) 2.316 3.702 ( -0.524 3.917 1.288) 4.156 3.721 ( 0.925 -4.165 -1.134) 4.414 3.791 ( 1.651 1.343 -2.174) 3.042 3.819 ( 1.267 -2.774 -3.692) 4.789 3.880 ( -2.002 -4.573 -3.827) 6.291 3.896 ( -0.291 3.877 -4.970) 6.310 3.948 ( -1.164 2.340 -0.333) 2.635 3.972 ( -1.130 -2.540 -0.507) 2.826 3.982 ( -1.203 0.044 -2.797) 3.046 4.015 ( -3.233 1.990 -3.848) 5.406 4.045 ( -2.230 2.733 -2.068) 4.089 4.087 ( -2.204 5.879 -1.931) 6.569 4.114 ( -0.359 -0.748 1.562) 1.768 4.145 ( -2.518 -2.737 -1.512) 4.015 4.195 ( 1.308 0.654 1.148) 1.859 4.229 ( -0.776 1.757 0.577) 2.006 4.250 ( 0.003 0.422 0.348) 0.548 4.267 ( -0.885 -0.538 1.390) 1.734 4.325 ( 1.355 0.982 -0.539) 1.758 4.329 ( -0.794 -5.277 2.721) 5.990 4.342 ( -0.884 -0.364 0.056) 0.957 4.365 ( -0.705 1.549 -0.056) 1.703 4.464 ( -0.697 -4.389 0.761) 4.509 4.498 ( -1.248 1.112 2.665) 3.146 4.502 ( -1.404 -0.007 2.987) 3.301 4.536 ( -1.058 2.268 -2.380) 3.453 4.558 ( -1.842 -1.103 -1.036) 2.384 4.627 ( 1.498 1.212 -2.707) 3.323 4.644 ( 1.704 -0.446 -2.675) 3.203 4.771 ( 0.483 1.924 4.099) 4.554 4.819 ( 0.928 -2.693 4.757) 5.545 4.922 ( -3.841 2.995 -2.514) 5.481 4.936 ( -1.507 0.232 -0.814) 1.729 4.971 ( -2.717 3.941 0.579) 4.822 5.050 ( 0.076 0.933 -2.818) 2.970 5.055 ( -2.320 -1.611 -2.263) 3.619 5.082 ( -2.623 -0.926 -2.618) 3.820 5.256 ( -1.295 2.767 2.348) 3.854 5.279 ( -1.666 -0.009 2.091) 2.673 5.404 ( 0.861 2.870 -0.432) 3.027 5.453 ( 1.039 -1.296 -0.840) 1.862 5.497 ( 2.107 0.790 -0.230) 2.262 5.542 ( 2.473 -2.682 -1.622) 3.992 5.694 ( -0.763 0.165 -0.679) 1.035 5.697 ( -0.993 -0.089 -0.416) 1.081 5.827 ( -1.251 0.942 0.422) 1.621 5.845 ( -0.562 -0.463 0.004) 0.728 5.883 ( 0.306 1.464 1.007) 1.803 5.926 ( -0.324 -1.858 1.758) 2.579 5.987 ( 0.962 -1.215 2.588) 3.016 6.007 ( -1.382 -2.798 5.765) 6.556 6.195 ( 5.217 -0.002 -1.094) 5.330 6.212 ( 3.955 -1.138 0.552) 4.152 6.870 ( -0.370 1.051 0.084) 1.118 6.884 ( -0.067 0.564 -0.171) 0.593 6.919 ( 0.329 1.096 -0.075) 1.146 6.939 ( 0.436 -0.583 -0.132) 0.740 6.966 ( 1.049 6.613 0.172) 6.698 7.045 ( 0.254 0.395 0.119) 0.484 7.420 ( -0.128 -3.269 0.014) 3.271 7.455 ( -0.470 -5.419 -0.044) 5.440 ======================= Grid point 30 (18/44) ======================= q-point: ( 0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 13.060 8.815 4.904) 16.502 1.067 ( 9.526 3.354 5.607) 11.551 1.122 ( 4.134 -2.966 2.001) 5.467 1.177 ( 5.203 -5.729 0.615) 7.764 1.259 ( 2.730 -0.462 0.608) 2.835 1.342 ( 7.956 -8.268 2.584) 11.762 1.555 ( -0.495 3.364 3.119) 4.615 1.600 ( -1.224 0.102 3.353) 3.571 1.697 ( 3.581 6.589 5.591) 9.353 1.779 ( 2.563 7.053 2.892) 8.042 1.833 ( 0.625 -0.800 3.706) 3.842 1.875 ( -0.148 3.527 0.347) 3.547 1.885 ( 1.243 2.713 0.965) 3.136 1.919 ( -2.289 0.751 0.294) 2.427 1.982 ( -0.115 -1.235 0.757) 1.453 2.023 ( 4.175 -0.405 6.380) 7.635 2.067 ( 2.872 -4.368 0.201) 5.232 2.141 ( 0.148 -2.097 -3.533) 4.111 2.162 ( -0.694 2.428 -1.877) 3.146 2.194 ( 5.920 -6.509 1.234) 8.885 2.207 ( -0.152 2.529 -2.505) 3.562 2.265 ( -1.238 4.048 -0.392) 4.252 2.313 ( -0.177 -3.208 1.918) 3.741 2.366 ( -0.896 2.035 -3.718) 4.332 2.386 ( -3.595 -2.777 -3.964) 6.029 2.470 ( 2.879 -3.432 2.443) 5.103 2.513 ( -1.998 0.244 -1.280) 2.385 2.549 ( 0.672 0.506 0.613) 1.041 2.557 ( -3.150 -0.697 -4.018) 5.153 2.634 ( -1.443 -3.744 -1.196) 4.187 2.695 ( 1.727 0.211 -1.955) 2.617 2.727 ( 0.753 -2.420 -1.908) 3.173 2.787 ( -0.601 4.667 1.050) 4.821 2.807 ( -0.665 4.642 -1.422) 4.901 2.839 ( -2.494 1.060 3.154) 4.158 2.885 ( 0.414 6.729 2.587) 7.221 2.906 ( -1.952 2.036 -0.301) 2.836 2.958 ( -0.988 0.910 0.729) 1.528 2.975 ( -0.643 1.411 0.902) 1.793 3.003 ( -1.447 0.002 1.092) 1.812 3.034 ( -1.452 1.138 -2.034) 2.746 3.107 ( -0.969 -2.838 -2.049) 3.632 3.114 ( -0.467 2.957 -1.207) 3.228 3.154 ( -0.277 -1.132 0.811) 1.420 3.226 ( -3.444 -0.544 -3.331) 4.822 3.253 ( 0.361 1.531 -0.619) 1.691 3.298 ( -0.687 2.099 -2.006) 2.983 3.308 ( 0.866 -0.048 0.482) 0.993 3.324 ( -2.025 0.760 2.145) 3.046 3.373 ( -2.881 -1.231 2.027) 3.731 3.400 ( 2.826 1.226 1.056) 3.256 3.429 ( -1.035 -0.465 -0.747) 1.359 3.431 ( 0.001 -0.503 0.861) 0.997 3.460 ( 0.176 1.026 0.601) 1.202 3.530 ( -1.108 -2.629 -0.965) 3.011 3.539 ( -1.328 -3.856 -0.850) 4.166 3.557 ( -0.126 -0.489 -3.047) 3.088 3.580 ( -0.144 -3.378 -1.805) 3.832 3.665 ( -0.660 -0.690 1.092) 1.451 3.701 ( -0.613 -3.463 2.236) 4.168 3.758 ( 0.994 3.879 -1.965) 4.461 3.790 ( -1.719 2.299 -1.654) 3.313 3.846 ( 0.982 -0.335 -2.777) 2.965 3.854 ( 0.631 -2.084 -3.292) 3.947 3.874 ( -0.846 2.688 -3.532) 4.518 3.917 ( -1.593 1.476 -1.089) 2.430 3.942 ( -2.492 2.992 -2.508) 4.632 3.966 ( 0.249 2.480 -1.718) 3.028 3.982 ( -1.005 1.727 -1.390) 2.434 3.997 ( -1.815 -1.690 -3.811) 4.547 4.031 ( -2.063 1.588 1.560) 3.035 4.090 ( 0.068 -0.899 -1.229) 1.525 4.126 ( -1.640 2.556 0.679) 3.112 4.181 ( 0.467 4.599 2.750) 5.379 4.206 ( -2.213 3.076 -0.367) 3.807 4.242 ( -1.542 0.988 -1.667) 2.477 4.264 ( -0.515 -1.403 1.235) 1.939 4.296 ( -2.122 0.635 0.503) 2.271 4.309 ( -1.164 -4.082 2.143) 4.755 4.350 ( 1.473 -7.151 2.370) 7.676 4.407 ( 3.276 0.553 -0.533) 3.365 4.446 ( -3.396 0.820 4.182) 5.449 4.461 ( -1.982 -0.144 2.707) 3.358 4.473 ( 2.101 -2.904 0.154) 3.588 4.524 ( -0.741 1.514 -2.001) 2.617 4.541 ( 0.031 0.263 -2.864) 2.877 4.623 ( -1.551 2.641 -3.769) 4.857 4.674 ( 0.794 -1.377 -2.945) 3.346 4.748 ( -2.609 1.774 3.722) 4.879 4.822 ( -1.603 -4.546 4.843) 6.833 4.889 ( 0.984 1.401 -1.286) 2.141 4.917 ( 0.470 -0.282 -0.658) 0.856 4.952 ( -0.077 -0.488 1.618) 1.692 4.965 ( -2.695 -0.376 1.862) 3.297 5.054 ( 0.016 1.876 -1.998) 2.741 5.086 ( 0.630 -0.998 -1.960) 2.288 5.237 ( -0.848 2.280 3.676) 4.408 5.255 ( -0.786 0.266 3.053) 3.164 5.412 ( 0.087 2.583 -0.671) 2.670 5.462 ( 0.098 -2.002 -0.610) 2.096 5.553 ( 2.928 0.692 -1.661) 3.437 5.579 ( 1.241 -1.479 -1.372) 2.369 5.679 ( -0.459 0.289 -0.996) 1.134 5.686 ( -0.172 -0.241 -0.388) 0.488 5.787 ( -2.340 1.598 0.949) 2.988 5.818 ( -1.847 -1.025 0.408) 2.151 5.891 ( 0.339 1.092 0.448) 1.228 5.925 ( 0.111 -1.754 1.614) 2.386 5.992 ( -0.007 0.358 4.155) 4.170 6.014 ( 0.969 -2.289 1.952) 3.160 6.286 ( 3.610 1.626 -2.408) 4.634 6.295 ( 3.711 0.257 -0.786) 3.802 6.867 ( 0.096 0.913 0.204) 0.941 6.883 ( 0.021 0.564 0.012) 0.565 6.926 ( 0.340 1.368 -0.124) 1.415 6.948 ( 0.446 -0.096 -0.163) 0.484 6.986 ( 0.824 4.728 -0.100) 4.800 7.045 ( -0.291 1.285 -0.339) 1.361 7.419 ( 0.018 -3.814 -0.119) 3.816 7.445 ( -0.472 -5.334 -0.152) 5.357 ======================= Grid point 31 (19/44) ======================= q-point: ( 0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.053 0.103 0.275) 0.298 1.155 ( 1.096 -0.304 -0.061) 1.139 1.227 ( 9.260 3.230 2.013) 10.012 1.310 ( 5.893 -2.475 -1.375) 6.538 1.368 ( 6.454 3.890 1.551) 7.694 1.476 ( 3.216 -6.109 0.659) 6.935 1.517 ( -4.192 1.215 1.428) 4.593 1.566 ( -1.993 -3.356 2.084) 4.425 1.612 ( -7.026 6.897 2.024) 10.052 1.749 ( -5.524 -5.299 0.088) 7.655 1.837 ( -0.514 0.843 -0.016) 0.988 1.845 ( -2.569 1.241 2.789) 3.990 1.888 ( -2.074 6.497 -1.024) 6.897 1.907 ( 2.578 3.098 1.369) 4.257 1.955 ( 2.649 -0.670 4.523) 5.284 2.021 ( -4.199 -3.686 -2.783) 6.242 2.131 ( -1.465 3.892 -2.199) 4.704 2.164 ( 2.904 5.313 3.028) 6.769 2.210 ( -3.081 2.603 -0.368) 4.050 2.233 ( 1.977 -0.102 -3.207) 3.768 2.251 ( 2.055 5.132 -2.158) 5.934 2.273 ( -0.017 -2.564 -1.385) 2.914 2.279 ( -0.266 -1.009 -2.080) 2.327 2.357 ( 1.530 -5.600 -0.204) 5.809 2.392 ( 1.811 1.380 -4.424) 4.976 2.471 ( -0.993 0.096 -4.747) 4.851 2.485 ( -0.691 -1.099 -3.194) 3.448 2.503 ( -2.246 -0.560 -0.431) 2.354 2.572 ( 0.364 -1.350 -3.479) 3.750 2.636 ( 2.316 -7.028 1.450) 7.541 2.720 ( 0.273 0.497 -2.345) 2.413 2.743 ( 1.919 -1.731 -3.091) 4.029 2.766 ( -2.105 0.887 0.458) 2.330 2.792 ( -1.489 0.680 3.976) 4.299 2.805 ( -2.778 5.720 -1.428) 6.517 2.892 ( 0.426 -2.329 1.671) 2.898 2.911 ( 2.361 7.513 1.621) 8.040 2.937 ( -0.975 2.318 -1.696) 3.033 2.973 ( 0.998 1.285 -1.601) 2.283 2.993 ( 0.828 0.166 2.662) 2.793 2.995 ( -2.467 3.145 -0.181) 4.001 3.043 ( -2.954 -1.433 -3.661) 4.918 3.086 ( -0.900 -3.844 -2.057) 4.452 3.147 ( -0.837 -2.512 1.905) 3.262 3.187 ( 0.570 0.459 -1.490) 1.660 3.219 ( -2.884 -1.155 0.156) 3.111 3.274 ( -2.653 0.206 2.656) 3.760 3.291 ( -0.553 -1.181 -0.266) 1.331 3.350 ( 2.087 2.835 -0.860) 3.624 3.376 ( 2.330 2.586 1.131) 3.660 3.399 ( -1.334 0.737 3.254) 3.593 3.411 ( -0.378 2.238 2.488) 3.368 3.436 ( -1.404 -2.948 -1.315) 3.520 3.473 ( 1.096 1.076 -0.351) 1.576 3.495 ( -1.217 -1.609 3.770) 4.275 3.535 ( 1.538 -4.647 3.110) 5.799 3.579 ( 1.891 1.504 -2.827) 3.720 3.629 ( 3.944 -1.713 -1.923) 4.710 3.658 ( 0.005 -1.299 1.489) 1.976 3.678 ( -0.421 -1.364 1.476) 2.053 3.727 ( -1.730 2.705 0.144) 3.215 3.776 ( -1.267 -0.888 -0.526) 1.634 3.840 ( -1.068 5.901 -1.080) 6.093 3.868 ( -0.441 1.476 -1.911) 2.455 3.883 ( 0.274 4.575 -2.952) 5.452 3.894 ( 0.267 0.181 -0.889) 0.945 3.898 ( 0.981 -1.221 -2.209) 2.708 3.958 ( -0.059 0.657 -4.269) 4.319 3.978 ( -0.527 0.493 -2.108) 2.228 3.994 ( 0.468 -0.217 -0.177) 0.546 4.035 ( 2.033 0.504 1.611) 2.642 4.066 ( -1.072 -0.292 2.336) 2.587 4.138 ( 0.631 2.270 0.388) 2.387 4.146 ( -2.433 3.116 0.703) 4.015 4.195 ( -2.088 0.752 -2.158) 3.096 4.223 ( 2.041 1.989 1.118) 3.062 4.259 ( 0.508 -0.971 1.059) 1.524 4.267 ( -0.203 -0.310 1.240) 1.294 4.284 ( -0.929 -3.197 2.459) 4.139 4.363 ( -2.350 -1.694 2.687) 3.951 4.388 ( -2.525 -1.034 2.649) 3.802 4.404 ( -0.245 -4.601 4.214) 6.244 4.480 ( -0.403 5.232 -2.030) 5.627 4.502 ( 1.333 0.141 -2.910) 3.204 4.536 ( 2.692 -2.527 -2.476) 4.446 4.557 ( 1.683 -2.027 -2.077) 3.355 4.586 ( -0.993 2.413 -2.744) 3.787 4.676 ( -0.100 -4.804 -2.490) 5.412 4.710 ( -2.177 0.155 1.642) 2.731 4.752 ( -2.939 -3.831 3.488) 5.956 4.905 ( 0.357 2.023 0.370) 2.087 4.946 ( 0.704 -0.860 2.640) 2.864 4.963 ( 1.838 0.478 3.782) 4.232 4.976 ( 2.115 -1.140 1.841) 3.027 5.051 ( -0.093 2.096 -1.841) 2.791 5.092 ( -0.109 -1.567 -1.135) 1.938 5.223 ( -0.502 2.453 4.359) 5.027 5.246 ( -0.235 0.062 3.337) 3.346 5.410 ( -0.254 2.559 -0.830) 2.703 5.461 ( -0.221 -2.158 -0.747) 2.294 5.595 ( 0.353 0.776 -1.248) 1.511 5.601 ( 1.722 -0.279 -1.459) 2.274 5.676 ( 0.152 0.693 -1.532) 1.688 5.689 ( 0.355 -0.578 -0.710) 0.982 5.746 ( -1.384 1.807 0.656) 2.369 5.780 ( -1.652 -1.339 0.202) 2.136 5.895 ( 0.014 1.335 0.782) 1.547 5.927 ( -0.040 -1.612 1.423) 2.151 5.994 ( 0.115 0.723 3.050) 3.136 6.027 ( 0.224 -2.907 1.634) 3.343 6.337 ( 1.361 2.898 -2.816) 4.264 6.348 ( 1.277 1.190 -1.412) 2.245 6.871 ( 0.191 0.661 0.273) 0.741 6.885 ( 0.149 0.428 0.215) 0.501 6.931 ( 0.082 1.630 -0.180) 1.642 6.955 ( 0.196 -0.511 -0.263) 0.608 6.993 ( -0.188 4.546 -0.318) 4.561 7.038 ( -0.251 2.081 -0.952) 2.302 7.421 ( 0.148 -4.218 -0.168) 4.224 7.438 ( -0.117 -5.153 -0.201) 5.158 ======================= Grid point 32 (20/44) ======================= q-point: (-0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -1.641 0.806 0.961) 2.065 1.153 ( -1.442 -0.968 -0.176) 1.746 1.273 ( -9.576 2.826 -0.795) 10.016 1.309 ( -5.802 4.288 -1.202) 7.314 1.360 ( -7.875 2.221 1.304) 8.286 1.432 ( -2.098 -3.306 0.219) 3.921 1.475 ( -0.701 -4.572 0.951) 4.722 1.501 ( -1.255 -4.551 3.474) 5.861 1.607 ( 5.281 5.069 2.988) 7.906 1.726 ( 3.699 -6.589 0.760) 7.594 1.810 ( -0.057 4.672 1.217) 4.828 1.820 ( -1.068 2.695 -0.375) 2.923 1.866 ( -0.151 4.196 -2.616) 4.947 1.919 ( -2.280 3.703 0.003) 4.349 1.975 ( -3.386 3.983 -1.062) 5.334 2.033 ( 1.644 1.888 1.812) 3.090 2.084 ( -2.204 -4.619 -2.134) 5.545 2.111 ( -3.092 0.925 -3.233) 4.568 2.146 ( -2.619 2.150 -0.818) 3.486 2.194 ( -3.095 1.804 -1.427) 3.856 2.235 ( -0.400 -0.186 -3.659) 3.686 2.259 ( -2.575 -6.544 -2.015) 7.316 2.325 ( -1.918 0.425 -2.683) 3.325 2.337 ( -0.923 1.565 -2.734) 3.283 2.400 ( -0.862 0.378 -6.282) 6.352 2.431 ( 0.148 -3.385 1.456) 3.688 2.506 ( 1.956 2.883 0.942) 3.609 2.525 ( 1.980 0.463 -3.912) 4.409 2.571 ( -0.755 -1.999 -4.864) 5.313 2.636 ( -2.554 -5.664 2.103) 6.560 2.708 ( -1.144 1.725 2.233) 3.044 2.722 ( -0.077 0.900 -2.148) 2.330 2.735 ( 0.386 1.082 -2.269) 2.543 2.773 ( 1.543 -2.823 -3.667) 4.878 2.829 ( 2.640 3.498 5.077) 6.707 2.901 ( -1.456 -1.344 4.347) 4.778 2.906 ( -3.230 6.071 1.397) 7.017 2.943 ( 0.807 2.311 -1.585) 2.916 2.981 ( 1.051 1.738 -0.042) 2.032 3.003 ( 0.769 -0.073 -1.647) 1.819 3.016 ( 1.238 -1.092 0.757) 1.816 3.035 ( 2.802 0.830 -2.465) 3.823 3.077 ( -0.915 -5.916 -1.846) 6.265 3.132 ( 0.275 -1.837 -1.056) 2.136 3.172 ( 0.625 1.004 -0.677) 1.363 3.200 ( -1.805 -0.495 -0.853) 2.057 3.271 ( 2.097 1.310 -0.638) 2.553 3.309 ( 0.239 1.422 0.835) 1.667 3.328 ( 0.373 0.834 -0.494) 1.038 3.360 ( -2.560 -0.972 0.704) 2.828 3.406 ( 0.247 2.093 2.819) 3.520 3.431 ( 1.649 4.793 -0.697) 5.117 3.440 ( 0.047 -1.576 0.872) 1.802 3.483 ( 0.411 0.434 0.200) 0.631 3.507 ( 1.840 0.105 3.849) 4.267 3.574 ( 1.662 -5.881 3.368) 6.978 3.619 ( 2.029 4.862 -1.776) 5.560 3.642 ( -1.224 3.739 2.204) 4.509 3.682 ( 0.746 -0.061 2.677) 2.780 3.699 ( 0.750 -1.105 1.878) 2.305 3.739 ( 3.191 -1.159 -1.421) 3.680 3.771 ( 2.343 -0.951 -0.266) 2.543 3.832 ( 0.629 3.061 -1.659) 3.538 3.873 ( 0.510 2.371 -2.664) 3.603 3.903 ( 2.794 -1.638 1.743) 3.678 3.920 ( 1.739 -0.740 -4.399) 4.788 3.938 ( 1.633 4.742 0.915) 5.098 3.958 ( 0.238 0.240 -4.809) 4.821 3.973 ( 0.482 -0.225 1.698) 1.779 4.004 ( 0.176 -1.260 -0.468) 1.356 4.038 ( 0.202 0.517 -0.831) 0.999 4.083 ( -0.270 -1.669 2.414) 2.947 4.104 ( -0.794 1.878 -1.342) 2.441 4.121 ( -0.235 -0.605 -1.412) 1.554 4.202 ( 1.355 2.223 2.405) 3.544 4.255 ( 0.947 -0.840 2.970) 3.228 4.265 ( 0.147 -2.486 -0.015) 2.490 4.274 ( 0.681 2.027 1.256) 2.480 4.286 ( 0.332 -1.247 2.321) 2.655 4.322 ( -1.850 -2.704 0.644) 3.339 4.340 ( 0.124 0.683 2.167) 2.275 4.402 ( -1.276 -2.821 1.290) 3.354 4.469 ( 0.873 6.251 -2.097) 6.651 4.521 ( -0.530 2.663 -2.142) 3.458 4.547 ( 1.114 -1.118 -4.971) 5.216 4.579 ( -0.604 -3.810 1.096) 4.010 4.631 ( 1.767 -1.869 0.253) 2.585 4.653 ( 0.313 -3.472 -1.030) 3.635 4.695 ( 0.912 -1.889 0.036) 2.098 4.731 ( 0.198 -3.248 -0.039) 3.254 4.908 ( -0.424 2.412 1.795) 3.036 4.942 ( -0.989 -0.450 5.419) 5.527 5.000 ( 1.359 0.671 2.395) 2.834 5.017 ( 1.608 -0.533 1.549) 2.295 5.060 ( 1.216 1.133 -0.937) 1.908 5.088 ( 0.385 -0.991 -1.635) 1.950 5.225 ( 0.759 2.406 5.130) 5.717 5.247 ( 0.250 0.328 3.860) 3.882 5.405 ( -0.200 2.361 -1.047) 2.590 5.454 ( -0.411 -2.270 -1.018) 2.521 5.586 ( -1.280 2.525 -1.782) 3.345 5.615 ( -0.812 -0.849 -1.139) 1.636 5.691 ( 1.288 0.283 -0.813) 1.549 5.696 ( 0.887 -0.291 -0.577) 1.098 5.734 ( -0.029 1.380 0.004) 1.380 5.760 ( -0.288 -1.366 -0.261) 1.421 5.893 ( -0.127 1.260 1.226) 1.763 5.921 ( -0.605 -1.434 1.146) 1.933 5.995 ( -0.126 0.521 2.827) 2.878 6.026 ( -0.316 -2.774 1.527) 3.183 6.337 ( -1.290 2.601 -2.751) 3.999 6.343 ( -1.630 1.390 -1.642) 2.699 6.872 ( -0.099 0.706 0.314) 0.779 6.888 ( 0.177 0.097 0.311) 0.371 6.929 ( -0.217 1.697 -0.222) 1.725 6.955 ( -0.160 -0.672 -0.256) 0.737 6.981 ( -0.860 5.015 -0.638) 5.128 7.033 ( -0.305 1.891 -1.088) 2.203 7.423 ( 0.067 -4.110 -0.106) 4.112 7.441 ( 0.381 -5.084 -0.126) 5.099 ======================= Grid point 33 (21/44) ======================= q-point: (-0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -15.198 6.790 2.617) 16.851 1.037 ( -10.854 8.793 6.875) 15.569 1.119 ( -9.549 -6.172 2.530) 11.648 1.156 ( -4.419 -2.699 -0.715) 5.228 1.207 ( -3.249 -0.705 -2.600) 4.221 1.312 ( -7.223 -8.089 2.202) 11.066 1.507 ( 3.123 1.049 3.900) 5.105 1.544 ( 1.974 -2.699 2.914) 4.435 1.656 ( -12.431 8.796 5.969) 16.356 1.709 ( 0.245 2.859 -0.417) 2.899 1.758 ( -8.340 5.765 3.284) 10.657 1.805 ( -1.193 1.132 0.034) 1.645 1.838 ( 1.973 4.835 1.028) 5.322 1.885 ( 0.350 2.818 -1.345) 3.142 1.925 ( 5.071 0.700 -1.366) 5.298 1.999 ( -2.443 -1.284 -3.085) 4.139 2.033 ( -1.787 -2.381 -5.993) 6.691 2.074 ( -2.591 -0.747 1.470) 3.071 2.148 ( -1.025 -4.438 -1.534) 4.807 2.182 ( -2.945 -12.816 -0.033) 13.150 2.199 ( 2.841 3.262 -1.451) 4.562 2.257 ( 1.200 -2.081 -1.827) 3.018 2.286 ( 1.194 2.341 -4.279) 5.022 2.368 ( 3.121 -3.319 -2.082) 5.009 2.375 ( -1.406 2.315 2.512) 3.694 2.449 ( 1.958 -3.757 -0.752) 4.303 2.503 ( -2.486 0.588 -2.031) 3.264 2.526 ( -1.741 0.252 -4.941) 5.244 2.593 ( 2.958 2.557 1.372) 4.144 2.642 ( 3.808 -0.418 -2.173) 4.404 2.697 ( 0.280 0.774 1.975) 2.139 2.735 ( 1.206 1.048 -0.659) 1.728 2.765 ( 0.825 2.943 0.055) 3.056 2.810 ( -2.800 0.387 1.841) 3.374 2.827 ( 1.177 -1.889 -2.569) 3.399 2.857 ( 0.789 -2.269 2.462) 3.439 2.905 ( 1.315 7.068 2.393) 7.577 2.962 ( 0.614 2.126 -1.121) 2.481 2.994 ( 0.968 0.931 -2.067) 2.465 3.026 ( 1.431 -0.749 -1.936) 2.521 3.043 ( 0.707 2.088 -0.049) 2.205 3.052 ( 0.670 -1.445 -1.280) 2.044 3.096 ( 1.687 1.192 0.568) 2.142 3.151 ( 0.387 -1.283 0.031) 1.340 3.176 ( 0.599 3.661 -2.671) 4.571 3.207 ( 0.597 -0.387 -1.541) 1.698 3.253 ( -2.231 0.355 1.778) 2.875 3.274 ( -0.266 -0.329 0.059) 0.427 3.358 ( 0.162 -0.463 -1.126) 1.228 3.373 ( 0.732 -0.128 -1.143) 1.363 3.413 ( 0.006 1.549 1.564) 2.201 3.442 ( 1.085 1.169 1.310) 2.064 3.454 ( 0.707 1.276 -2.755) 3.118 3.464 ( -0.697 2.041 -0.237) 2.170 3.548 ( 2.036 0.115 0.310) 2.062 3.605 ( 1.094 -3.947 1.336) 4.308 3.619 ( -0.945 3.298 1.492) 3.741 3.649 ( 0.225 1.251 0.927) 1.573 3.683 ( 1.396 1.389 1.577) 2.523 3.739 ( 0.169 3.539 -2.733) 4.475 3.776 ( 0.753 -2.546 -0.654) 2.734 3.797 ( -0.531 -4.155 2.649) 4.956 3.855 ( 0.765 2.674 -2.229) 3.564 3.895 ( -2.227 2.919 -0.481) 3.703 3.933 ( 2.697 1.282 -1.361) 3.282 3.943 ( 2.484 -0.111 -2.445) 3.488 3.959 ( 1.778 0.108 -1.806) 2.537 3.991 ( 0.593 -1.066 0.452) 1.301 4.019 ( 2.529 -0.067 -1.510) 2.946 4.033 ( 2.247 -1.546 -1.619) 3.172 4.051 ( 2.016 -3.814 2.155) 4.822 4.093 ( 2.400 -1.569 -0.264) 2.879 4.101 ( 0.631 1.894 -3.113) 3.698 4.130 ( 0.230 -0.858 -1.552) 1.789 4.235 ( 1.791 2.622 3.549) 4.762 4.249 ( -0.469 0.104 4.039) 4.067 4.267 ( 0.564 1.741 0.437) 1.881 4.279 ( -0.563 -1.278 0.507) 1.486 4.304 ( 1.211 0.171 -0.747) 1.433 4.336 ( 2.506 -2.539 0.453) 3.596 4.360 ( -0.127 -1.054 0.571) 1.205 4.376 ( 0.542 -0.656 0.301) 0.903 4.503 ( 1.998 5.514 -0.069) 5.865 4.514 ( -0.354 2.244 -0.590) 2.347 4.530 ( -0.992 0.448 2.055) 2.325 4.580 ( 0.033 -3.020 -2.412) 3.865 4.651 ( -0.090 -2.422 -1.036) 2.636 4.661 ( 0.255 -3.156 -0.384) 3.190 4.714 ( 0.789 0.350 -0.837) 1.202 4.759 ( 1.604 -3.728 -2.106) 4.572 4.890 ( -0.578 2.322 3.182) 3.981 4.921 ( -0.691 -0.481 5.803) 5.864 5.021 ( 0.597 0.031 0.267) 0.655 5.033 ( 0.397 -0.368 -2.767) 2.820 5.099 ( 2.653 1.856 -0.087) 3.239 5.125 ( 2.499 -0.630 1.127) 2.813 5.257 ( 2.075 2.105 5.105) 5.899 5.265 ( 2.006 1.716 5.295) 5.917 5.402 ( -0.053 1.881 -1.042) 2.151 5.444 ( -0.501 -2.099 -1.270) 2.504 5.546 ( -2.537 2.045 -2.890) 4.355 5.561 ( -3.992 -0.176 -1.577) 4.296 5.717 ( 1.039 0.302 -0.164) 1.094 5.724 ( 0.864 -0.284 0.130) 0.919 5.750 ( 2.188 0.278 0.130) 2.209 5.760 ( 0.316 -0.883 -0.739) 1.194 5.893 ( 0.155 0.455 1.676) 1.744 5.906 ( -0.721 -0.825 1.253) 1.664 5.989 ( -0.607 0.383 2.935) 3.022 6.015 ( -0.763 -2.281 1.577) 2.876 6.280 ( -4.044 1.246 -1.499) 4.489 6.291 ( -3.351 0.273 -1.944) 3.884 6.870 ( -0.019 0.978 0.309) 1.026 6.892 ( 0.126 -0.395 0.219) 0.469 6.924 ( -0.309 1.571 -0.175) 1.610 6.950 ( -0.350 -1.100 -0.127) 1.162 6.961 ( -1.026 6.105 -0.650) 6.224 7.027 ( -0.192 1.612 -0.857) 1.836 7.424 ( 0.024 -3.575 0.017) 3.575 7.451 ( 0.526 -5.209 0.009) 5.236 ======================= Grid point 34 (22/44) ======================= q-point: (-0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -11.030 11.453 8.496) 18.028 0.787 ( -12.137 11.251 12.143) 20.526 0.943 ( -6.464 -15.497 4.282) 17.329 1.011 ( -8.505 -11.038 6.642) 15.436 1.161 ( -3.896 8.825 5.096) 10.910 1.245 ( -0.685 -2.917 -0.591) 3.054 1.339 ( -8.691 13.879 10.206) 19.295 1.543 ( 1.157 4.057 3.339) 5.380 1.620 ( -2.688 9.519 4.495) 10.865 1.641 ( 1.750 -0.188 4.496) 4.829 1.732 ( 0.902 0.201 0.333) 0.982 1.778 ( 0.028 -5.318 4.576) 7.016 1.859 ( -0.943 -2.681 1.979) 3.463 1.916 ( -2.018 -6.566 3.937) 7.917 1.933 ( 1.098 -2.184 2.293) 3.352 1.974 ( -4.077 -7.759 4.129) 9.688 2.036 ( 1.039 -0.227 -6.461) 6.548 2.056 ( 3.521 -1.250 -2.176) 4.324 2.126 ( 0.829 -4.534 -1.863) 4.972 2.150 ( 0.723 -0.959 -5.439) 5.570 2.254 ( 1.289 3.009 -1.295) 3.520 2.302 ( -0.847 2.947 -4.485) 5.433 2.311 ( 4.253 0.548 -2.262) 4.848 2.379 ( 0.565 -1.740 -1.479) 2.353 2.391 ( 0.487 -0.917 -0.821) 1.324 2.451 ( -1.167 -2.331 0.836) 2.738 2.482 ( -0.843 0.746 -3.813) 3.976 2.539 ( 2.878 -1.574 -2.143) 3.918 2.640 ( 0.080 4.174 4.721) 6.302 2.703 ( -1.205 -0.206 -1.829) 2.200 2.731 ( 2.125 2.389 -1.167) 3.404 2.741 ( 1.990 2.933 -2.245) 4.196 2.749 ( -0.607 0.444 -0.782) 1.085 2.782 ( 2.597 -2.670 3.469) 5.090 2.880 ( 2.741 5.119 0.674) 5.845 2.907 ( 3.031 0.997 -1.122) 3.382 2.938 ( 1.336 2.273 -1.291) 2.936 2.968 ( 0.448 1.244 -0.392) 1.379 3.005 ( -0.182 1.893 1.652) 2.519 3.032 ( -0.443 -1.885 0.845) 2.113 3.054 ( 0.295 5.654 -0.370) 5.674 3.083 ( 1.695 2.520 -0.527) 3.082 3.126 ( 1.699 -1.790 -1.456) 2.866 3.138 ( -1.341 1.296 -0.315) 1.891 3.172 ( -1.877 2.805 1.063) 3.538 3.209 ( 0.190 -1.218 -0.120) 1.238 3.243 ( 2.602 1.347 -0.036) 2.930 3.317 ( 2.074 -4.394 0.659) 4.903 3.343 ( -1.114 5.729 1.046) 5.929 3.365 ( -0.116 0.697 -1.644) 1.789 3.400 ( -0.746 -1.133 -2.119) 2.516 3.453 ( 0.127 2.105 0.750) 2.239 3.464 ( -0.226 -2.008 -0.091) 2.023 3.474 ( 0.400 -3.425 -3.396) 4.840 3.586 ( 0.453 2.018 -0.034) 2.068 3.609 ( 0.994 -0.465 -1.307) 1.707 3.616 ( 0.125 0.866 -0.653) 1.092 3.653 ( 0.429 -0.507 -0.213) 0.697 3.692 ( -0.914 1.925 -1.420) 2.561 3.702 ( -1.996 3.005 -1.228) 3.811 3.767 ( -0.772 -2.833 -1.568) 3.328 3.800 ( -0.889 0.180 -1.951) 2.152 3.842 ( -2.149 -2.002 -3.474) 4.549 3.888 ( 1.265 1.936 -2.781) 3.617 3.935 ( -0.237 -5.581 -3.801) 6.757 3.976 ( 0.508 -1.452 -1.061) 1.868 3.983 ( 1.562 4.670 0.414) 4.942 3.984 ( -1.714 0.385 1.224) 2.141 4.051 ( 0.404 0.123 -1.150) 1.226 4.061 ( 0.431 -0.575 -2.672) 2.767 4.105 ( -0.829 0.515 -1.172) 1.525 4.125 ( 3.398 -4.535 -1.890) 5.974 4.155 ( 2.910 0.314 -1.050) 3.109 4.164 ( 3.655 0.679 -0.746) 3.792 4.224 ( -1.766 0.212 2.578) 3.131 4.246 ( -0.376 -1.332 2.835) 3.155 4.288 ( 0.538 3.374 0.981) 3.555 4.303 ( 1.739 0.670 1.811) 2.598 4.334 ( 0.456 1.953 0.076) 2.007 4.346 ( 1.128 -2.992 0.511) 3.238 4.383 ( 1.263 -1.821 0.059) 2.217 4.414 ( 2.505 -1.658 -0.627) 3.069 4.492 ( -1.185 1.115 1.018) 1.919 4.533 ( -0.312 1.731 2.229) 2.840 4.542 ( 1.592 5.216 -2.361) 5.943 4.570 ( 0.185 -1.347 -1.851) 2.297 4.638 ( -1.043 -3.110 -0.445) 3.310 4.649 ( -1.314 -2.772 0.914) 3.201 4.732 ( 1.054 2.618 -0.293) 2.837 4.774 ( 0.497 -1.629 0.474) 1.768 4.905 ( 1.662 1.432 1.585) 2.707 4.936 ( 1.933 -0.822 2.349) 3.152 5.018 ( -0.513 0.654 -2.531) 2.664 5.047 ( 0.607 -1.285 -3.376) 3.663 5.148 ( 1.000 0.807 0.394) 1.344 5.160 ( 1.127 0.372 0.441) 1.266 5.311 ( 3.053 2.813 3.359) 5.340 5.335 ( 3.962 0.600 4.910) 6.338 5.395 ( -1.358 1.211 -0.414) 1.866 5.424 ( -1.505 -0.259 -2.551) 2.973 5.476 ( -3.823 0.747 -2.199) 4.473 5.487 ( -2.217 0.312 -2.568) 3.406 5.720 ( -0.206 0.283 -0.619) 0.711 5.730 ( -0.486 -0.788 -0.089) 0.930 5.788 ( 2.255 0.813 0.002) 2.397 5.805 ( 2.573 -0.255 0.177) 2.592 5.885 ( -0.798 0.408 0.831) 1.222 5.918 ( 1.979 -2.866 3.495) 4.934 5.975 ( -0.608 0.705 3.143) 3.278 5.998 ( -0.787 -1.653 1.877) 2.622 6.193 ( -4.065 0.166 -0.456) 4.094 6.211 ( -4.263 -2.325 0.319) 4.867 6.874 ( 0.362 1.002 0.208) 1.085 6.891 ( -0.223 -0.598 -0.060) 0.641 6.918 ( -0.241 1.205 -0.090) 1.232 6.936 ( -0.731 1.221 -0.404) 1.479 6.950 ( -0.195 5.566 0.112) 5.571 7.027 ( 0.274 1.204 -0.364) 1.287 7.424 ( -0.022 -3.071 0.118) 3.074 7.460 ( 0.295 -5.349 0.084) 5.358 ======================= Grid point 42 (23/44) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.095 0.000 17.433) 17.434 0.920 ( 2.447 0.000 18.551) 18.711 1.096 ( -1.252 0.000 0.885) 1.534 1.202 ( 1.590 0.000 1.232) 2.011 1.282 ( 3.149 0.000 5.587) 6.414 1.471 ( -2.004 0.000 5.684) 6.027 1.472 ( 1.470 0.000 8.088) 8.221 1.555 ( 2.179 0.000 25.793) 25.885 1.605 ( -0.199 0.000 -3.177) 3.183 1.654 ( 4.080 0.000 3.323) 5.262 1.726 ( -0.596 0.000 3.518) 3.568 1.787 ( -0.216 0.000 -12.280) 12.282 1.794 ( 1.620 0.000 -8.934) 9.080 1.964 ( 0.970 0.000 -2.520) 2.700 1.992 ( 1.925 0.000 -0.392) 1.965 2.008 ( 3.175 0.000 -3.581) 4.786 2.051 ( -1.674 0.000 6.057) 6.284 2.120 ( 0.282 0.000 -1.492) 1.518 2.124 ( -1.394 0.000 9.217) 9.322 2.225 ( -3.399 0.000 5.387) 6.370 2.231 ( 0.663 0.000 -3.339) 3.404 2.302 ( 1.374 0.000 -0.704) 1.544 2.310 ( 1.187 0.000 7.101) 7.200 2.404 ( -2.657 0.000 0.546) 2.713 2.448 ( 0.738 0.000 0.349) 0.816 2.496 ( 5.862 0.000 2.571) 6.401 2.537 ( -1.850 0.000 -4.746) 5.094 2.556 ( 2.205 0.000 -0.449) 2.250 2.631 ( -0.195 0.000 -2.072) 2.081 2.636 ( 2.654 0.000 10.021) 10.366 2.731 ( 0.258 0.000 -0.816) 0.856 2.734 ( 0.434 0.000 -2.648) 2.683 2.804 ( -3.832 0.000 3.507) 5.194 2.812 ( 0.235 0.000 4.396) 4.402 2.815 ( -3.817 0.000 -3.083) 4.906 2.872 ( -0.430 0.000 2.868) 2.900 2.902 ( 2.535 0.000 -1.515) 2.953 2.965 ( -1.654 0.000 0.752) 1.817 3.007 ( 3.069 0.000 -5.250) 6.081 3.045 ( 2.465 0.000 -3.408) 4.206 3.046 ( 1.839 0.000 4.356) 4.728 3.064 ( 1.810 0.000 1.977) 2.680 3.122 ( -3.863 0.000 0.464) 3.891 3.148 ( 2.310 0.000 4.227) 4.817 3.182 ( 1.712 0.000 -2.088) 2.700 3.184 ( -2.071 0.000 0.182) 2.079 3.211 ( -0.659 0.000 -3.699) 3.757 3.280 ( 1.961 0.000 -2.296) 3.020 3.314 ( -0.612 0.000 2.759) 2.826 3.384 ( -2.902 0.000 -3.950) 4.902 3.387 ( 0.687 0.000 -3.562) 3.628 3.414 ( 1.768 0.000 -3.943) 4.321 3.452 ( 5.794 0.000 -1.060) 5.890 3.481 ( -0.988 0.000 -4.817) 4.917 3.527 ( -3.116 0.000 -1.693) 3.546 3.529 ( -0.486 0.000 -1.489) 1.566 3.535 ( 0.298 0.000 -8.803) 8.808 3.581 ( 1.266 0.000 -0.417) 1.333 3.610 ( -1.437 0.000 -1.962) 2.431 3.646 ( -2.742 0.000 -3.060) 4.109 3.674 ( -2.157 0.000 2.422) 3.243 3.791 ( -1.730 0.000 -4.194) 4.537 3.798 ( -0.444 0.000 -2.359) 2.401 3.811 ( -1.152 0.000 -2.893) 3.114 3.849 ( -0.249 0.000 -1.149) 1.176 3.868 ( 0.061 0.000 0.335) 0.340 3.886 ( -0.456 0.000 -4.474) 4.497 3.985 ( -2.535 0.000 -1.296) 2.847 4.005 ( -0.474 0.000 0.425) 0.637 4.019 ( -1.470 0.000 -3.240) 3.558 4.094 ( 0.018 0.000 -2.439) 2.439 4.109 ( 1.679 0.000 1.507) 2.256 4.125 ( -0.511 0.000 1.670) 1.746 4.154 ( -0.584 0.000 -2.928) 2.985 4.205 ( 0.205 0.000 -2.126) 2.136 4.246 ( -1.118 0.000 2.352) 2.604 4.326 ( -0.064 0.000 -0.001) 0.064 4.329 ( 1.076 0.000 6.738) 6.823 4.370 ( -1.981 0.000 1.675) 2.594 4.379 ( -2.011 0.000 2.145) 2.941 4.412 ( 1.699 0.000 -1.393) 2.197 4.460 ( 0.977 0.000 2.840) 3.004 4.467 ( 0.488 0.000 -3.289) 3.325 4.492 ( 2.026 0.000 0.590) 2.110 4.557 ( -0.885 0.000 -0.060) 0.887 4.566 ( 0.448 0.000 -2.235) 2.279 4.600 ( -2.478 0.000 -0.257) 2.491 4.698 ( -0.937 0.000 0.946) 1.332 4.779 ( 2.959 0.000 2.920) 4.157 4.870 ( 2.584 0.000 0.429) 2.620 4.905 ( 0.688 0.000 -1.549) 1.695 4.964 ( -0.352 0.000 -1.193) 1.244 4.979 ( 1.312 0.000 0.155) 1.321 5.037 ( -2.197 0.000 0.639) 2.288 5.045 ( -7.219 0.000 -3.867) 8.189 5.159 ( -1.831 0.000 1.092) 2.132 5.224 ( 0.231 0.000 0.856) 0.886 5.348 ( -1.982 0.000 0.817) 2.143 5.378 ( 0.422 0.000 1.125) 1.202 5.409 ( 1.423 0.000 -0.648) 1.563 5.483 ( 0.226 0.000 -0.412) 0.470 5.488 ( 2.564 0.000 1.593) 3.019 5.692 ( -1.038 0.000 -0.772) 1.293 5.711 ( -0.719 0.000 -0.598) 0.936 5.816 ( 0.598 0.000 -0.077) 0.603 5.843 ( 1.330 0.000 0.737) 1.521 5.875 ( 0.030 0.000 0.274) 0.276 6.010 ( -0.160 0.000 0.383) 0.415 6.032 ( -1.273 0.000 3.750) 3.960 6.103 ( 2.167 0.000 0.903) 2.347 6.173 ( 0.717 0.000 -0.030) 0.717 6.322 ( -0.658 0.000 -0.776) 1.017 6.851 ( -0.300 0.000 0.512) 0.593 6.864 ( -0.123 0.000 0.075) 0.144 6.871 ( 0.220 0.000 -0.006) 0.220 6.904 ( 0.104 0.000 -0.019) 0.106 6.934 ( 0.060 0.000 -0.205) 0.214 7.014 ( 1.000 0.000 -0.114) 1.007 7.479 ( -0.040 0.000 0.045) 0.061 7.530 ( -0.106 0.000 0.055) 0.120 ======================= Grid point 43 (24/44) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 5.825 0.000 14.798) 15.904 1.028 ( 7.078 0.000 12.485) 14.352 1.089 ( 0.775 0.000 0.468) 0.905 1.205 ( -0.750 0.000 2.979) 3.072 1.345 ( 1.545 0.000 2.464) 2.909 1.472 ( 2.745 0.000 4.841) 5.565 1.501 ( 1.525 0.000 2.394) 2.838 1.619 ( 1.662 0.000 -0.114) 1.666 1.634 ( 2.741 0.000 9.166) 9.567 1.711 ( 2.133 0.000 1.039) 2.372 1.791 ( 1.098 0.000 -10.552) 10.609 1.803 ( 4.970 0.000 10.605) 11.712 1.830 ( 2.094 0.000 -10.103) 10.318 1.951 ( -2.276 0.000 -5.023) 5.515 2.009 ( 1.240 0.000 10.041) 10.118 2.026 ( -0.235 0.000 2.173) 2.186 2.051 ( 0.733 0.000 0.513) 0.895 2.102 ( -0.422 0.000 5.059) 5.077 2.143 ( 2.607 0.000 -7.977) 8.393 2.180 ( 0.247 0.000 7.892) 7.895 2.220 ( -2.647 0.000 -0.806) 2.767 2.294 ( -5.589 0.000 0.769) 5.641 2.314 ( -0.647 0.000 5.764) 5.800 2.333 ( 0.137 0.000 -0.075) 0.156 2.466 ( -0.664 0.000 0.191) 0.691 2.469 ( -4.202 0.000 -5.000) 6.531 2.563 ( -3.094 0.000 -4.437) 5.409 2.586 ( 0.711 0.000 -1.595) 1.747 2.609 ( 1.177 0.000 -1.145) 1.642 2.651 ( -5.109 0.000 -0.456) 5.129 2.727 ( -0.101 0.000 7.451) 7.452 2.735 ( 0.064 0.000 -0.948) 0.950 2.743 ( 0.536 0.000 2.172) 2.238 2.759 ( -1.199 0.000 -3.959) 4.137 2.827 ( 1.089 0.000 3.837) 3.988 2.860 ( -1.183 0.000 2.060) 2.376 2.902 ( -2.418 0.000 4.816) 5.389 2.932 ( -0.266 0.000 -1.941) 1.959 3.036 ( -1.579 0.000 0.294) 1.606 3.060 ( -0.471 0.000 -1.193) 1.282 3.070 ( -0.130 0.000 -4.240) 4.242 3.074 ( 0.187 0.000 1.681) 1.692 3.115 ( 0.859 0.000 -1.505) 1.733 3.137 ( 0.913 0.000 4.267) 4.363 3.179 ( -1.905 0.000 -4.748) 5.116 3.230 ( 3.697 0.000 3.010) 4.767 3.233 ( 2.852 0.000 -6.796) 7.370 3.306 ( -1.083 0.000 -1.269) 1.668 3.335 ( 1.366 0.000 0.530) 1.465 3.345 ( 0.069 0.000 0.696) 0.699 3.381 ( 2.570 0.000 0.426) 2.605 3.412 ( -1.428 0.000 -3.673) 3.941 3.450 ( -4.298 0.000 -2.954) 5.215 3.484 ( 2.707 0.000 -2.710) 3.830 3.552 ( 1.524 0.000 -0.824) 1.732 3.567 ( 4.607 0.000 -1.397) 4.814 3.570 ( -0.866 0.000 -3.091) 3.210 3.590 ( 0.274 0.000 -2.699) 2.713 3.592 ( 0.700 0.000 -3.822) 3.885 3.619 ( 0.260 0.000 -0.505) 0.568 3.631 ( -1.632 0.000 -1.261) 2.062 3.707 ( -4.212 0.000 1.343) 4.421 3.796 ( 0.572 0.000 -3.351) 3.399 3.797 ( -0.481 0.000 -4.818) 4.842 3.860 ( -0.376 0.000 -4.674) 4.689 3.876 ( -0.182 0.000 -1.117) 1.132 3.881 ( 0.947 0.000 0.937) 1.332 3.939 ( -1.691 0.000 0.748) 1.849 3.979 ( -1.150 0.000 1.323) 1.752 3.980 ( -1.387 0.000 1.437) 1.998 4.061 ( -2.959 0.000 -0.552) 3.010 4.128 ( 0.235 0.000 -2.394) 2.406 4.143 ( 1.551 0.000 1.953) 2.494 4.177 ( 1.478 0.000 -0.453) 1.546 4.184 ( -1.002 0.000 -3.196) 3.349 4.217 ( -1.680 0.000 2.237) 2.797 4.283 ( -3.924 0.000 1.036) 4.058 4.336 ( -0.051 0.000 1.013) 1.014 4.349 ( -1.035 0.000 2.144) 2.381 4.359 ( 1.464 0.000 5.366) 5.562 4.428 ( -0.077 0.000 -0.881) 0.885 4.464 ( -0.621 0.000 -4.287) 4.332 4.478 ( 0.156 0.000 1.128) 1.139 4.522 ( -0.719 0.000 -1.112) 1.325 4.558 ( -1.288 0.000 -2.324) 2.657 4.563 ( 2.345 0.000 2.744) 3.609 4.597 ( 1.906 0.000 0.312) 1.932 4.655 ( -2.938 0.000 2.631) 3.943 4.835 ( 0.748 0.000 2.349) 2.465 4.874 ( -3.064 0.000 -0.863) 3.183 4.910 ( 0.304 0.000 -1.475) 1.506 4.952 ( 0.305 0.000 -0.286) 0.418 4.971 ( 0.788 0.000 -2.595) 2.712 5.001 ( 1.033 0.000 4.519) 4.636 5.020 ( 1.300 0.000 -0.085) 1.302 5.109 ( -3.348 0.000 2.504) 4.181 5.238 ( 0.981 0.000 0.771) 1.248 5.317 ( -1.191 0.000 1.656) 2.040 5.380 ( -0.140 0.000 0.432) 0.454 5.436 ( 1.094 0.000 -1.429) 1.800 5.490 ( 0.650 0.000 -0.559) 0.858 5.538 ( 2.067 0.000 -0.882) 2.248 5.683 ( 0.073 0.000 0.090) 0.116 5.689 ( -1.208 0.000 -0.083) 1.211 5.823 ( -0.447 0.000 -0.280) 0.527 5.853 ( -0.450 0.000 -0.034) 0.451 5.883 ( 0.592 0.000 0.550) 0.808 6.004 ( -1.235 0.000 3.017) 3.260 6.024 ( 1.482 0.000 0.235) 1.500 6.132 ( 0.807 0.000 1.456) 1.665 6.177 ( -1.470 0.000 -2.016) 2.495 6.277 ( -1.290 0.000 1.551) 2.018 6.849 ( 0.122 0.000 0.749) 0.758 6.862 ( -0.009 0.000 0.201) 0.201 6.886 ( 0.931 0.000 -0.546) 1.080 6.907 ( 0.119 0.000 -0.151) 0.192 6.943 ( 0.727 0.000 -0.403) 0.831 7.026 ( -0.161 0.000 -1.148) 1.159 7.478 ( -0.013 0.000 0.050) 0.051 7.524 ( -0.466 0.000 0.097) 0.476 ======================= Grid point 44 (25/44) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 3.918 0.000 4.827) 6.217 1.133 ( 1.161 0.000 -0.568) 1.293 1.144 ( 5.512 0.000 2.163) 5.921 1.227 ( 4.285 0.000 7.605) 8.730 1.362 ( 0.815 0.000 3.979) 4.062 1.549 ( 3.861 0.000 0.128) 3.863 1.557 ( 3.679 0.000 1.004) 3.814 1.634 ( -2.670 0.000 1.364) 2.998 1.654 ( 0.917 0.000 1.796) 2.017 1.717 ( -2.220 0.000 -5.105) 5.567 1.822 ( 1.664 0.000 -4.164) 4.485 1.831 ( -0.038 0.000 5.165) 5.165 1.878 ( 2.727 0.000 -8.691) 9.108 1.905 ( -1.443 0.000 -2.484) 2.872 1.978 ( -2.820 0.000 0.768) 2.923 2.047 ( -2.133 0.000 1.966) 2.901 2.106 ( 3.331 0.000 6.916) 7.676 2.113 ( -5.261 0.000 -0.989) 5.353 2.169 ( 4.756 0.000 8.514) 9.753 2.175 ( -3.517 0.000 0.021) 3.517 2.212 ( 0.645 0.000 -6.886) 6.916 2.231 ( 5.513 0.000 4.012) 6.818 2.303 ( 0.035 0.000 7.001) 7.001 2.319 ( -1.852 0.000 -4.380) 4.755 2.370 ( -6.988 0.000 -2.692) 7.489 2.403 ( -2.054 0.000 -1.883) 2.787 2.499 ( -5.552 0.000 -7.573) 9.390 2.505 ( -3.012 0.000 -6.368) 7.045 2.526 ( -4.564 0.000 -2.050) 5.003 2.666 ( 0.834 0.000 -4.328) 4.408 2.709 ( 0.195 0.000 0.044) 0.200 2.729 ( 0.026 0.000 -0.929) 0.929 2.745 ( -3.954 0.000 1.272) 4.153 2.773 ( 2.464 0.000 -1.749) 3.022 2.826 ( -0.780 0.000 3.779) 3.859 2.867 ( 1.989 0.000 3.311) 3.862 2.896 ( -1.808 0.000 1.822) 2.566 2.902 ( 2.607 0.000 5.310) 5.915 2.993 ( -1.841 0.000 -1.709) 2.512 3.038 ( -3.245 0.000 -0.488) 3.281 3.065 ( -0.896 0.000 -2.560) 2.713 3.074 ( 0.667 0.000 0.815) 1.053 3.098 ( -1.044 0.000 0.011) 1.044 3.140 ( -0.245 0.000 1.102) 1.129 3.211 ( 3.135 0.000 1.067) 3.312 3.247 ( -2.081 0.000 -0.086) 2.083 3.282 ( -1.707 0.000 2.166) 2.758 3.313 ( 4.706 0.000 -10.668) 11.660 3.343 ( -2.278 0.000 -0.589) 2.353 3.353 ( -2.356 0.000 0.641) 2.441 3.369 ( 0.181 0.000 2.567) 2.573 3.402 ( 2.517 0.000 2.172) 3.324 3.457 ( 2.844 0.000 0.338) 2.864 3.536 ( 1.610 0.000 1.764) 2.388 3.547 ( -0.662 0.000 1.595) 1.727 3.553 ( 1.122 0.000 0.668) 1.306 3.584 ( -0.210 0.000 -3.582) 3.588 3.592 ( -0.277 0.000 -2.623) 2.638 3.622 ( -1.386 0.000 -5.157) 5.340 3.645 ( 3.285 0.000 0.976) 3.427 3.667 ( 0.765 0.000 0.152) 0.780 3.673 ( 3.959 0.000 -2.780) 4.838 3.775 ( -1.934 0.000 -5.492) 5.822 3.817 ( 1.183 0.000 -1.845) 2.192 3.841 ( -1.539 0.000 1.381) 2.068 3.874 ( 0.020 0.000 0.133) 0.135 3.907 ( 1.752 0.000 1.805) 2.515 3.918 ( 0.323 0.000 -0.176) 0.368 3.941 ( -3.001 0.000 1.132) 3.208 3.993 ( 2.297 0.000 1.380) 2.679 4.023 ( 0.332 0.000 -0.023) 0.333 4.109 ( -1.639 0.000 -1.449) 2.187 4.140 ( -1.551 0.000 0.210) 1.565 4.175 ( -2.617 0.000 2.103) 3.357 4.190 ( -0.079 0.000 2.778) 2.779 4.207 ( 1.841 0.000 -2.647) 3.225 4.216 ( -2.050 0.000 1.746) 2.692 4.340 ( 0.344 0.000 -1.454) 1.494 4.353 ( 1.211 0.000 -1.010) 1.577 4.374 ( -0.245 0.000 4.497) 4.504 4.410 ( -2.488 0.000 -1.107) 2.723 4.441 ( -1.494 0.000 -3.856) 4.135 4.462 ( -0.622 0.000 -0.238) 0.666 4.512 ( 0.271 0.000 0.811) 0.855 4.523 ( -1.901 0.000 -1.337) 2.324 4.598 ( -2.196 0.000 2.373) 3.233 4.608 ( 1.550 0.000 3.687) 3.999 4.631 ( -0.113 0.000 -1.017) 1.023 4.773 ( -1.576 0.000 1.207) 1.985 4.896 ( -1.034 0.000 -1.541) 1.856 4.910 ( 2.996 0.000 2.543) 3.930 4.980 ( 0.698 0.000 -0.735) 1.014 4.986 ( 1.293 0.000 0.000) 1.293 5.027 ( 0.581 0.000 2.298) 2.370 5.038 ( -2.515 0.000 3.150) 4.031 5.069 ( 2.903 0.000 1.922) 3.482 5.254 ( 0.432 0.000 1.653) 1.709 5.298 ( -0.795 0.000 1.925) 2.083 5.374 ( -0.479 0.000 -0.054) 0.482 5.449 ( 0.305 0.000 -2.392) 2.411 5.518 ( 2.153 0.000 -0.959) 2.357 5.562 ( 0.279 0.000 -1.886) 1.906 5.667 ( -0.810 0.000 0.382) 0.895 5.689 ( 0.314 0.000 0.393) 0.503 5.787 ( -2.760 0.000 -0.018) 2.760 5.828 ( -1.732 0.000 -0.244) 1.749 5.894 ( 0.534 0.000 0.957) 1.096 5.996 ( 0.312 0.000 1.773) 1.800 6.058 ( 1.497 0.000 -0.185) 1.508 6.090 ( -3.218 0.000 2.747) 4.231 6.181 ( 1.768 0.000 -2.028) 2.691 6.292 ( 1.514 0.000 -0.048) 1.514 6.854 ( 0.278 0.000 0.956) 0.995 6.865 ( 0.372 0.000 0.335) 0.501 6.906 ( 1.107 0.000 -0.722) 1.321 6.909 ( 0.128 0.000 -0.328) 0.353 6.959 ( 0.683 0.000 -0.831) 1.076 7.004 ( -1.770 0.000 -1.401) 2.257 7.479 ( 0.122 0.000 -0.005) 0.122 7.513 ( -0.548 0.000 0.071) 0.552 ======================= Grid point 45 (26/44) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.947 0.000 -2.364) 2.547 1.132 ( -0.177 0.000 -0.793) 0.812 1.283 ( 4.762 0.000 0.696) 4.812 1.327 ( 3.743 0.000 1.374) 3.987 1.393 ( 3.739 0.000 5.789) 6.891 1.520 ( -6.808 0.000 3.915) 7.854 1.565 ( -2.771 0.000 -1.761) 3.283 1.609 ( 1.410 0.000 0.876) 1.660 1.647 ( -1.081 0.000 1.407) 1.774 1.742 ( 3.793 0.000 0.372) 3.811 1.809 ( -4.529 0.000 1.732) 4.849 1.817 ( -1.178 0.000 0.243) 1.202 1.866 ( -2.498 0.000 -1.458) 2.892 1.908 ( -1.340 0.000 0.840) 1.581 1.957 ( 0.994 0.000 -2.202) 2.416 1.970 ( -0.619 0.000 -3.443) 3.498 2.041 ( -2.938 0.000 -3.308) 4.424 2.140 ( -2.265 0.000 0.445) 2.308 2.147 ( -0.836 0.000 -4.282) 4.363 2.167 ( -1.977 0.000 -1.736) 2.631 2.199 ( -1.380 0.000 -5.142) 5.324 2.231 ( -2.926 0.000 -0.024) 2.926 2.277 ( -3.800 0.000 -3.849) 5.408 2.282 ( -0.856 0.000 -5.534) 5.600 2.336 ( -0.651 0.000 4.294) 4.343 2.386 ( 1.968 0.000 -0.106) 1.971 2.443 ( 1.703 0.000 -3.162) 3.592 2.502 ( 2.892 0.000 2.181) 3.623 2.524 ( 2.389 0.000 -2.011) 3.123 2.647 ( -0.959 0.000 -5.515) 5.597 2.653 ( -2.246 0.000 -4.646) 5.161 2.719 ( -2.125 0.000 2.506) 3.285 2.737 ( 2.062 0.000 -0.458) 2.112 2.802 ( -1.155 0.000 3.810) 3.981 2.822 ( 0.201 0.000 1.792) 1.803 2.887 ( 0.419 0.000 -1.056) 1.136 2.904 ( 1.420 0.000 4.040) 4.283 2.960 ( -2.120 0.000 -0.001) 2.120 2.973 ( -0.613 0.000 1.935) 2.030 2.981 ( 4.034 0.000 1.352) 4.254 3.045 ( -0.336 0.000 -2.761) 2.781 3.051 ( -2.465 0.000 1.314) 2.794 3.107 ( 0.243 0.000 -0.621) 0.667 3.146 ( 0.623 0.000 3.155) 3.216 3.161 ( -3.163 0.000 0.168) 3.167 3.232 ( -2.265 0.000 -0.634) 2.352 3.257 ( -2.181 0.000 -0.951) 2.379 3.283 ( 0.715 0.000 -0.201) 0.743 3.308 ( -1.795 0.000 -0.486) 1.860 3.393 ( -0.483 0.000 0.526) 0.714 3.401 ( 1.774 0.000 -5.795) 6.060 3.447 ( 2.569 0.000 0.246) 2.581 3.475 ( -3.012 0.000 2.728) 4.064 3.531 ( 0.597 0.000 4.283) 4.325 3.555 ( 0.358 0.000 0.308) 0.473 3.564 ( 0.259 0.000 -1.835) 1.853 3.618 ( 3.302 0.000 -2.806) 4.333 3.619 ( 2.633 0.000 -1.936) 3.268 3.641 ( -0.516 0.000 4.214) 4.246 3.667 ( 1.925 0.000 0.737) 2.062 3.714 ( 2.423 0.000 -1.990) 3.136 3.729 ( 2.493 0.000 0.828) 2.627 3.737 ( -0.980 0.000 -4.758) 4.857 3.801 ( -1.336 0.000 0.520) 1.434 3.835 ( 0.188 0.000 -0.184) 0.263 3.873 ( -1.624 0.000 2.141) 2.687 3.889 ( 1.714 0.000 -0.200) 1.726 3.943 ( 0.846 0.000 2.505) 2.644 3.973 ( 3.786 0.000 2.160) 4.359 4.055 ( -0.234 0.000 -0.242) 0.337 4.065 ( 4.083 0.000 -1.627) 4.396 4.069 ( -0.658 0.000 0.683) 0.948 4.100 ( -1.579 0.000 -0.199) 1.591 4.107 ( -2.474 0.000 -1.401) 2.843 4.192 ( -0.373 0.000 2.987) 3.010 4.217 ( 2.723 0.000 2.488) 3.688 4.232 ( 0.214 0.000 -1.579) 1.594 4.337 ( -2.550 0.000 0.513) 2.601 4.343 ( -0.428 0.000 -0.431) 0.608 4.377 ( -0.412 0.000 1.464) 1.521 4.379 ( 1.194 0.000 -4.291) 4.454 4.413 ( -0.668 0.000 -1.016) 1.216 4.434 ( -3.300 0.000 0.901) 3.421 4.476 ( -2.594 0.000 -1.474) 2.983 4.498 ( -2.576 0.000 3.331) 4.211 4.585 ( 0.873 0.000 0.172) 0.890 4.595 ( 0.121 0.000 -3.749) 3.751 4.657 ( 2.435 0.000 -0.260) 2.448 4.788 ( 1.047 0.000 5.872) 5.965 4.881 ( -0.335 0.000 -1.067) 1.119 4.928 ( -2.918 0.000 3.649) 4.672 4.979 ( 1.900 0.000 1.117) 2.204 4.994 ( 0.177 0.000 -0.404) 0.442 5.033 ( 0.335 0.000 2.707) 2.728 5.071 ( 3.497 0.000 -0.090) 3.498 5.110 ( 0.756 0.000 1.631) 1.798 5.259 ( 0.210 0.000 3.013) 3.020 5.285 ( -0.498 0.000 1.902) 1.966 5.362 ( -0.680 0.000 -0.560) 0.881 5.451 ( -0.005 0.000 -2.352) 2.352 5.551 ( -1.332 0.000 -1.487) 1.996 5.568 ( 2.419 0.000 -1.513) 2.853 5.660 ( 0.356 0.000 0.559) 0.663 5.692 ( 0.023 0.000 -0.075) 0.078 5.735 ( -1.958 0.000 -0.400) 1.999 5.794 ( -1.429 0.000 -0.104) 1.433 5.905 ( 0.431 0.000 1.498) 1.559 5.996 ( -0.813 0.000 1.401) 1.620 6.054 ( -0.334 0.000 2.533) 2.555 6.076 ( 0.263 0.000 -0.288) 0.390 6.215 ( 1.301 0.000 -1.816) 2.234 6.313 ( 0.334 0.000 -1.007) 1.061 6.860 ( 0.251 0.000 0.959) 0.992 6.874 ( 0.311 0.000 0.400) 0.507 6.911 ( 0.033 0.000 -0.440) 0.441 6.929 ( 1.017 0.000 -0.875) 1.342 6.956 ( -1.506 0.000 -0.691) 1.657 6.976 ( -0.226 0.000 -1.528) 1.545 7.482 ( 0.187 0.000 -0.079) 0.203 7.505 ( -0.242 0.000 -0.016) 0.242 ======================= Grid point 46 (27/44) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.838 0.000 -2.948) 3.065 1.134 ( 0.271 0.000 -0.304) 0.407 1.241 ( -10.184 0.000 0.605) 10.202 1.251 ( -5.944 0.000 2.488) 6.443 1.462 ( -2.575 0.000 3.293) 4.181 1.530 ( 4.205 0.000 1.693) 4.533 1.570 ( 5.889 0.000 6.500) 8.772 1.586 ( -4.171 0.000 5.203) 6.668 1.636 ( 1.446 0.000 -2.746) 3.104 1.698 ( -1.929 0.000 4.979) 5.340 1.774 ( -1.204 0.000 -1.898) 2.248 1.808 ( -1.930 0.000 0.798) 2.088 1.826 ( 1.394 0.000 0.811) 1.613 1.833 ( -5.478 0.000 2.280) 5.934 1.956 ( -3.945 0.000 -3.917) 5.560 1.976 ( -0.748 0.000 -5.677) 5.726 2.036 ( 2.746 0.000 0.215) 2.754 2.056 ( -5.973 0.000 -4.441) 7.443 2.100 ( -1.647 0.000 -2.303) 2.831 2.116 ( 1.472 0.000 -6.961) 7.115 2.200 ( 2.952 0.000 -0.853) 3.073 2.217 ( -0.262 0.000 1.102) 1.133 2.226 ( -0.710 0.000 -3.440) 3.513 2.300 ( 0.229 0.000 2.054) 2.067 2.360 ( 2.689 0.000 0.462) 2.728 2.427 ( 2.761 0.000 -0.030) 2.761 2.475 ( -0.368 0.000 1.944) 1.978 2.537 ( 1.854 0.000 -3.045) 3.565 2.558 ( 0.276 0.000 -3.196) 3.208 2.604 ( -3.285 0.000 -3.296) 4.653 2.653 ( -2.531 0.000 0.986) 2.716 2.681 ( 3.564 0.000 -3.571) 5.045 2.788 ( 2.530 0.000 -1.399) 2.891 2.818 ( 2.567 0.000 4.936) 5.564 2.835 ( 1.199 0.000 -0.314) 1.239 2.869 ( -1.390 0.000 1.417) 1.985 2.909 ( -1.564 0.000 1.810) 2.392 2.912 ( -2.518 0.000 1.761) 3.072 2.996 ( -0.338 0.000 -1.434) 1.474 3.015 ( -1.338 0.000 5.801) 5.953 3.015 ( 3.260 0.000 1.709) 3.680 3.051 ( 1.326 0.000 -5.179) 5.346 3.080 ( -2.108 0.000 0.059) 2.109 3.182 ( 3.985 0.000 -0.656) 4.039 3.187 ( -1.072 0.000 -0.815) 1.347 3.200 ( 2.834 0.000 1.622) 3.265 3.234 ( -1.323 0.000 2.753) 3.054 3.274 ( -1.420 0.000 -0.628) 1.553 3.284 ( -0.871 0.000 -2.173) 2.341 3.348 ( -3.679 0.000 4.393) 5.730 3.384 ( -2.387 0.000 -1.292) 2.714 3.386 ( -2.709 0.000 -1.547) 3.120 3.497 ( -0.437 0.000 -3.539) 3.566 3.524 ( -3.009 0.000 1.611) 3.413 3.549 ( 0.272 0.000 3.835) 3.844 3.561 ( 0.296 0.000 0.744) 0.801 3.615 ( 1.174 0.000 -5.667) 5.788 3.650 ( 0.029 0.000 0.660) 0.660 3.696 ( 0.025 0.000 -2.253) 2.253 3.710 ( 5.531 0.000 0.433) 5.548 3.732 ( 0.373 0.000 -0.431) 0.570 3.748 ( -1.517 0.000 -0.512) 1.601 3.780 ( 4.314 0.000 -4.180) 6.008 3.820 ( 2.331 0.000 0.513) 2.387 3.869 ( -0.095 0.000 -0.222) 0.241 3.885 ( 4.624 0.000 0.907) 4.712 3.912 ( 0.256 0.000 -1.357) 1.381 3.953 ( 0.283 0.000 3.786) 3.796 3.982 ( -3.489 0.000 1.584) 3.832 4.024 ( -0.194 0.000 -1.118) 1.134 4.067 ( 0.668 0.000 1.531) 1.670 4.096 ( 0.927 0.000 1.143) 1.472 4.128 ( 1.963 0.000 -2.996) 3.581 4.135 ( 3.223 0.000 -1.167) 3.428 4.209 ( 1.868 0.000 1.513) 2.403 4.211 ( -2.064 0.000 -0.979) 2.285 4.263 ( -1.191 0.000 0.744) 1.404 4.309 ( 0.701 0.000 0.446) 0.831 4.334 ( 0.095 0.000 0.586) 0.593 4.339 ( -3.674 0.000 1.683) 4.041 4.375 ( -1.754 0.000 -3.691) 4.087 4.386 ( 1.730 0.000 1.597) 2.354 4.411 ( 0.004 0.000 0.298) 0.298 4.461 ( 2.095 0.000 -3.261) 3.876 4.465 ( -0.544 0.000 4.301) 4.335 4.611 ( 0.799 0.000 -3.725) 3.810 4.619 ( 2.051 0.000 -1.142) 2.347 4.710 ( 2.582 0.000 -1.413) 2.943 4.777 ( -2.176 0.000 5.120) 5.564 4.874 ( -2.081 0.000 4.659) 5.103 4.878 ( -0.115 0.000 -0.652) 0.662 4.980 ( -1.209 0.000 -0.182) 1.222 5.028 ( 2.577 0.000 0.043) 2.577 5.048 ( 0.911 0.000 2.805) 2.949 5.094 ( -2.155 0.000 1.521) 2.638 5.146 ( 3.842 0.000 -0.069) 3.842 5.265 ( -0.147 0.000 2.196) 2.201 5.284 ( 0.848 0.000 3.370) 3.475 5.351 ( -0.123 0.000 -1.181) 1.188 5.448 ( -0.218 0.000 -2.103) 2.114 5.509 ( -2.525 0.000 -0.612) 2.598 5.588 ( -1.037 0.000 -2.078) 2.322 5.694 ( 2.958 0.000 0.739) 3.048 5.700 ( 1.138 0.000 -0.303) 1.178 5.710 ( -0.583 0.000 -0.727) 0.932 5.778 ( -0.199 0.000 0.430) 0.473 5.911 ( 0.156 0.000 1.661) 1.669 5.971 ( -1.386 0.000 1.113) 1.778 6.058 ( 0.261 0.000 2.556) 2.569 6.071 ( -0.706 0.000 -0.145) 0.721 6.229 ( 0.095 0.000 -1.669) 1.671 6.302 ( -1.280 0.000 -0.999) 1.623 6.864 ( 0.173 0.000 0.864) 0.881 6.875 ( -0.191 0.000 0.393) 0.437 6.910 ( -0.153 0.000 -0.432) 0.458 6.919 ( -1.302 0.000 -0.606) 1.436 6.952 ( 0.847 0.000 -0.481) 0.974 6.971 ( -0.341 0.000 -1.513) 1.551 7.484 ( -0.066 0.000 -0.119) 0.136 7.506 ( 0.410 0.000 -0.072) 0.416 ======================= Grid point 47 (28/44) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -8.671 0.000 10.250) 13.426 1.070 ( -5.775 0.000 7.024) 9.094 1.116 ( -2.672 0.000 -0.921) 2.826 1.141 ( 0.433 0.000 -1.200) 1.276 1.408 ( -8.256 0.000 5.625) 9.990 1.427 ( -0.261 0.000 5.366) 5.372 1.559 ( -1.687 0.000 -0.398) 1.733 1.657 ( -1.849 0.000 1.702) 2.513 1.674 ( -0.810 0.000 -2.255) 2.396 1.719 ( -4.429 0.000 1.490) 4.673 1.737 ( -1.369 0.000 3.032) 3.327 1.771 ( 1.777 0.000 9.336) 9.503 1.775 ( 4.489 0.000 -2.219) 5.007 1.883 ( 2.438 0.000 2.078) 3.204 1.913 ( 0.877 0.000 -0.631) 1.080 1.929 ( -3.081 0.000 3.075) 4.353 1.990 ( 1.754 0.000 -1.771) 2.493 2.021 ( -1.029 0.000 -5.232) 5.332 2.099 ( 0.143 0.000 2.894) 2.897 2.187 ( 2.467 0.000 -0.665) 2.555 2.202 ( 0.029 0.000 6.335) 6.335 2.266 ( 2.231 0.000 -2.864) 3.631 2.292 ( 7.578 0.000 -3.041) 8.165 2.332 ( 2.923 0.000 -1.227) 3.170 2.388 ( -1.893 0.000 0.461) 1.948 2.433 ( -0.482 0.000 2.492) 2.538 2.487 ( 0.638 0.000 -5.008) 5.048 2.531 ( -2.255 0.000 1.609) 2.770 2.550 ( 2.209 0.000 -0.156) 2.215 2.610 ( 2.458 0.000 -6.763) 7.195 2.668 ( 3.052 0.000 -5.801) 6.555 2.714 ( -1.079 0.000 1.483) 1.834 2.811 ( -0.936 0.000 4.126) 4.231 2.845 ( 3.311 0.000 -0.889) 3.428 2.857 ( 0.091 0.000 -0.167) 0.190 2.880 ( -0.407 0.000 2.740) 2.770 2.881 ( 0.300 0.000 -1.736) 1.762 2.900 ( 1.994 0.000 1.067) 2.261 2.973 ( -3.364 0.000 2.303) 4.076 3.010 ( 0.612 0.000 0.991) 1.164 3.025 ( -1.125 0.000 -2.908) 3.118 3.079 ( 2.122 0.000 3.806) 4.358 3.123 ( 0.188 0.000 -2.374) 2.382 3.127 ( -5.458 0.000 6.650) 8.604 3.153 ( 3.222 0.000 2.009) 3.797 3.240 ( -0.656 0.000 -3.362) 3.425 3.251 ( -0.234 0.000 -0.997) 1.024 3.257 ( 1.099 0.000 1.441) 1.812 3.279 ( 1.035 0.000 1.025) 1.456 3.309 ( -2.291 0.000 -0.092) 2.293 3.352 ( 0.122 0.000 -1.627) 1.632 3.388 ( 4.058 0.000 -1.638) 4.376 3.451 ( -3.206 0.000 -4.410) 5.453 3.486 ( -0.580 0.000 -1.372) 1.490 3.519 ( -3.531 0.000 4.923) 6.059 3.578 ( 1.570 0.000 -0.865) 1.792 3.636 ( -1.237 0.000 1.950) 2.309 3.665 ( 1.818 0.000 -4.411) 4.771 3.678 ( -3.218 0.000 -2.303) 3.958 3.693 ( -0.345 0.000 -3.079) 3.098 3.769 ( 0.396 0.000 -4.654) 4.670 3.794 ( 1.117 0.000 -4.457) 4.595 3.815 ( -2.961 0.000 3.419) 4.523 3.854 ( 1.379 0.000 -5.368) 5.543 3.870 ( 1.511 0.000 0.470) 1.582 3.915 ( -2.529 0.000 -0.606) 2.601 3.920 ( 3.566 0.000 -2.726) 4.489 3.946 ( -0.708 0.000 -0.217) 0.741 3.967 ( 1.542 0.000 0.950) 1.811 4.019 ( 0.723 0.000 -1.465) 1.633 4.099 ( -1.088 0.000 -1.342) 1.728 4.108 ( 2.212 0.000 -0.017) 2.212 4.147 ( -0.867 0.000 -1.283) 1.549 4.157 ( -2.476 0.000 0.723) 2.579 4.183 ( 1.000 0.000 -0.770) 1.262 4.234 ( 1.491 0.000 4.251) 4.505 4.261 ( 3.264 0.000 1.273) 3.504 4.299 ( -1.018 0.000 -0.288) 1.058 4.331 ( -0.478 0.000 -1.835) 1.896 4.341 ( 1.688 0.000 1.323) 2.144 4.366 ( 1.804 0.000 -1.323) 2.237 4.415 ( 0.275 0.000 2.825) 2.838 4.425 ( 1.038 0.000 0.663) 1.232 4.483 ( 1.873 0.000 2.799) 3.367 4.517 ( 2.814 0.000 -4.205) 5.059 4.613 ( -0.836 0.000 0.193) 0.858 4.658 ( 1.794 0.000 -0.724) 1.935 4.725 ( -1.933 0.000 2.748) 3.360 4.745 ( -0.287 0.000 -2.497) 2.513 4.849 ( 0.088 0.000 3.384) 3.385 4.866 ( -1.217 0.000 0.683) 1.395 4.959 ( -0.555 0.000 -1.078) 1.212 5.037 ( -2.905 0.000 2.540) 3.858 5.068 ( 0.606 0.000 1.611) 1.721 5.076 ( 2.202 0.000 -0.582) 2.278 5.222 ( 3.099 0.000 -1.880) 3.624 5.250 ( -1.059 0.000 1.072) 1.507 5.317 ( 1.887 0.000 3.829) 4.269 5.359 ( 0.788 0.000 -1.194) 1.431 5.440 ( -0.655 0.000 -2.084) 2.185 5.459 ( -2.188 0.000 1.223) 2.507 5.535 ( -3.408 0.000 -1.471) 3.712 5.706 ( 0.143 0.000 -0.655) 0.671 5.728 ( 0.861 0.000 -1.327) 1.581 5.765 ( 3.288 0.000 0.905) 3.410 5.781 ( 0.652 0.000 1.678) 1.800 5.908 ( -0.790 0.000 0.437) 0.903 5.959 ( 1.072 0.000 2.035) 2.300 6.051 ( -1.225 0.000 0.013) 1.225 6.059 ( -0.182 0.000 2.844) 2.850 6.216 ( -1.407 0.000 -1.847) 2.322 6.275 ( -0.668 0.000 0.342) 0.751 6.866 ( -0.093 0.000 0.739) 0.745 6.869 ( -0.304 0.000 0.289) 0.419 6.897 ( -0.920 0.000 -0.440) 1.020 6.906 ( -0.174 0.000 -0.288) 0.337 6.956 ( -0.671 0.000 -0.809) 1.051 6.975 ( 0.929 0.000 -0.448) 1.032 7.481 ( -0.120 0.000 -0.086) 0.148 7.518 ( 0.605 0.000 -0.060) 0.608 ======================= Grid point 48 (29/44) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -7.051 0.000 14.445) 16.074 0.922 ( -2.867 0.000 17.940) 18.168 1.114 ( 0.048 0.000 -1.195) 1.196 1.159 ( 1.652 0.000 -0.498) 1.725 1.279 ( -3.732 0.000 7.497) 8.375 1.444 ( 1.161 0.000 7.832) 7.917 1.518 ( -2.343 0.000 3.384) 4.116 1.579 ( -3.642 0.000 17.311) 17.690 1.624 ( -2.797 0.000 5.932) 6.558 1.627 ( -1.994 0.000 -2.361) 3.090 1.756 ( 1.864 0.000 -9.222) 9.408 1.769 ( -2.627 0.000 4.467) 5.182 1.805 ( -0.583 0.000 -5.869) 5.898 1.918 ( 2.571 0.000 3.575) 4.403 1.946 ( 2.621 0.000 -1.341) 2.945 1.951 ( 2.228 0.000 -3.821) 4.423 2.073 ( 4.503 0.000 2.274) 5.045 2.079 ( 5.152 0.000 6.999) 8.691 2.091 ( -1.723 0.000 4.818) 5.116 2.228 ( 1.086 0.000 -2.020) 2.293 2.239 ( 2.346 0.000 7.872) 8.214 2.276 ( -0.146 0.000 -5.810) 5.812 2.325 ( -2.941 0.000 5.200) 5.974 2.392 ( 3.164 0.000 -1.395) 3.458 2.402 ( 2.407 0.000 -0.266) 2.422 2.449 ( 0.575 0.000 -0.435) 0.721 2.509 ( 0.980 0.000 0.309) 1.027 2.512 ( 3.623 0.000 -4.056) 5.439 2.630 ( 0.088 0.000 -4.301) 4.302 2.636 ( 0.374 0.000 2.111) 2.144 2.677 ( 1.917 0.000 2.755) 3.356 2.719 ( 1.425 0.000 -3.646) 3.915 2.833 ( -2.009 0.000 5.082) 5.464 2.837 ( 3.068 0.000 -0.419) 3.097 2.864 ( -2.083 0.000 3.359) 3.953 2.878 ( -1.420 0.000 -2.268) 2.676 2.881 ( 0.074 0.000 0.604) 0.609 2.948 ( 1.144 0.000 2.602) 2.843 2.951 ( 2.817 0.000 -2.825) 3.990 3.002 ( 0.453 0.000 -2.673) 2.711 3.016 ( 0.937 0.000 3.647) 3.766 3.042 ( -0.704 0.000 2.142) 2.254 3.132 ( 2.069 0.000 -3.341) 3.930 3.148 ( 0.658 0.000 4.499) 4.547 3.201 ( -3.921 0.000 0.266) 3.930 3.215 ( -1.484 0.000 2.286) 2.726 3.238 ( 2.908 0.000 0.882) 3.039 3.242 ( -1.390 0.000 -1.889) 2.345 3.303 ( 3.617 0.000 -6.290) 7.256 3.355 ( 1.814 0.000 -1.512) 2.362 3.371 ( 1.981 0.000 -1.660) 2.585 3.403 ( -4.124 0.000 5.011) 6.489 3.421 ( 2.424 0.000 -5.014) 5.570 3.464 ( -1.982 0.000 -3.601) 4.111 3.497 ( 3.285 0.000 -3.044) 4.479 3.590 ( -3.116 0.000 1.062) 3.292 3.592 ( -2.012 0.000 -4.858) 5.258 3.610 ( -3.328 0.000 -0.905) 3.449 3.652 ( -1.638 0.000 -3.765) 4.106 3.693 ( -0.012 0.000 0.980) 0.981 3.718 ( -3.962 0.000 -4.557) 6.038 3.797 ( 0.324 0.000 -6.794) 6.801 3.799 ( 0.308 0.000 1.163) 1.203 3.825 ( -1.953 0.000 -5.254) 5.605 3.871 ( -0.257 0.000 -0.527) 0.587 3.882 ( -1.141 0.000 -1.138) 1.612 3.926 ( -2.471 0.000 -1.884) 3.107 3.990 ( 1.240 0.000 1.194) 1.722 4.005 ( 1.599 0.000 -3.926) 4.239 4.051 ( 2.467 0.000 -1.219) 2.752 4.055 ( -2.940 0.000 -2.162) 3.649 4.118 ( -1.031 0.000 -0.994) 1.432 4.136 ( 0.927 0.000 1.037) 1.391 4.155 ( 2.359 0.000 -1.557) 2.827 4.178 ( -1.019 0.000 -1.197) 1.572 4.261 ( -0.246 0.000 3.326) 3.335 4.307 ( 1.462 0.000 3.866) 4.133 4.317 ( 1.213 0.000 0.404) 1.278 4.357 ( 2.492 0.000 0.257) 2.505 4.373 ( 1.681 0.000 -0.354) 1.718 4.399 ( 0.760 0.000 -1.078) 1.319 4.429 ( 1.458 0.000 4.110) 4.361 4.447 ( 1.174 0.000 -1.088) 1.601 4.496 ( -0.959 0.000 1.174) 1.516 4.555 ( 0.846 0.000 -2.882) 3.004 4.583 ( -1.597 0.000 0.701) 1.744 4.674 ( -3.899 0.000 0.024) 3.899 4.690 ( 1.295 0.000 -0.319) 1.333 4.735 ( 0.941 0.000 1.348) 1.644 4.844 ( -0.287 0.000 1.662) 1.686 4.877 ( 1.837 0.000 -0.008) 1.837 4.960 ( 0.500 0.000 -1.430) 1.514 4.986 ( -1.862 0.000 0.988) 2.108 5.070 ( -0.705 0.000 1.248) 1.433 5.113 ( 0.853 0.000 -3.054) 3.170 5.224 ( -3.434 0.000 -3.999) 5.271 5.230 ( -0.810 0.000 0.912) 1.219 5.354 ( 1.523 0.000 2.716) 3.114 5.378 ( 0.913 0.000 -0.373) 0.987 5.408 ( -2.438 0.000 -1.918) 3.102 5.445 ( 1.156 0.000 4.105) 4.265 5.486 ( -0.920 0.000 -0.317) 0.974 5.712 ( 0.384 0.000 -0.615) 0.725 5.719 ( -1.281 0.000 -1.447) 1.932 5.806 ( 0.770 0.000 0.381) 0.860 5.809 ( 1.761 0.000 1.700) 2.447 5.885 ( -1.034 0.000 0.192) 1.052 6.025 ( -1.153 0.000 0.193) 1.169 6.025 ( 4.396 0.000 2.090) 4.867 6.053 ( -0.350 0.000 3.453) 3.471 6.180 ( -1.483 0.000 -0.887) 1.728 6.292 ( 2.103 0.000 0.439) 2.148 6.860 ( -0.481 0.000 0.588) 0.759 6.865 ( -0.075 0.000 0.120) 0.141 6.880 ( -0.801 0.000 -0.424) 0.906 6.904 ( -0.040 0.000 -0.084) 0.094 6.941 ( -0.619 0.000 -0.424) 0.750 6.995 ( 0.931 0.000 0.189) 0.950 7.480 ( -0.068 0.000 -0.001) 0.068 7.528 ( 0.345 0.000 -0.012) 0.345 ======================= Grid point 49 (30/44) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 1.336 5.758 15.341) 16.441 1.006 ( 1.325 2.018 13.159) 13.379 1.057 ( -0.677 -1.700 10.790) 10.944 1.159 ( 2.033 -5.035 8.077) 9.733 1.247 ( 1.524 -0.567 3.936) 4.259 1.295 ( 0.495 -5.747 6.284) 8.530 1.559 ( -0.081 0.831 -1.250) 1.503 1.605 ( -1.573 -3.588 -5.456) 6.717 1.728 ( 1.608 11.141 7.422) 13.483 1.741 ( 2.413 6.251 -0.644) 6.732 1.773 ( 1.749 9.132 3.276) 9.858 1.817 ( 0.293 -0.499 -5.407) 5.438 1.857 ( 2.008 5.236 0.811) 5.666 1.945 ( 0.596 -2.966 4.775) 5.652 1.959 ( 1.202 -3.930 1.981) 4.562 2.041 ( 0.707 0.607 0.482) 1.050 2.071 ( 1.544 1.402 2.308) 3.110 2.123 ( 0.310 2.405 3.500) 4.258 2.140 ( 0.987 -3.636 1.910) 4.224 2.188 ( -0.922 -5.322 2.055) 5.779 2.258 ( 0.446 -2.044 4.257) 4.743 2.279 ( -0.195 4.988 2.819) 5.733 2.321 ( 1.445 -7.519 5.504) 9.430 2.365 ( -1.189 1.885 -1.456) 2.662 2.402 ( 2.533 -2.802 -0.825) 3.866 2.457 ( 0.280 -4.588 1.558) 4.853 2.463 ( -0.798 1.032 4.503) 4.688 2.542 ( 0.919 -4.623 0.365) 4.727 2.622 ( -2.502 1.133 -1.464) 3.113 2.637 ( -1.410 2.089 0.060) 2.521 2.710 ( 2.953 0.992 -1.916) 3.657 2.761 ( 0.215 -1.339 1.808) 2.260 2.815 ( 0.114 3.007 -0.781) 3.109 2.847 ( -0.976 1.490 -4.298) 4.653 2.878 ( 1.133 1.623 -5.110) 5.480 2.905 ( -0.024 1.307 -1.438) 1.944 2.924 ( 2.104 2.016 -0.588) 2.973 2.967 ( 2.372 -1.113 1.277) 2.915 3.012 ( -1.459 -0.589 0.760) 1.747 3.025 ( 0.061 -2.457 -0.907) 2.620 3.066 ( 0.218 6.094 0.293) 6.105 3.121 ( 1.010 1.917 1.404) 2.582 3.129 ( 0.777 1.321 -3.666) 3.974 3.175 ( 0.601 -0.099 -0.359) 0.707 3.189 ( 0.095 0.337 -1.396) 1.439 3.213 ( 0.595 0.785 1.032) 1.427 3.247 ( 0.221 3.368 -0.241) 3.384 3.269 ( -0.969 -1.148 -2.591) 2.995 3.326 ( 0.433 1.528 -4.875) 5.127 3.352 ( 0.029 -1.456 -1.843) 2.349 3.366 ( 0.807 -2.559 -1.237) 2.954 3.406 ( -1.015 -2.155 -0.011) 2.383 3.453 ( -2.051 1.095 -0.175) 2.332 3.480 ( -2.518 -1.352 1.042) 3.042 3.499 ( -2.588 -1.710 -5.665) 6.459 3.526 ( 0.331 2.166 -5.237) 5.677 3.543 ( -2.421 -2.529 -3.298) 4.810 3.572 ( -0.061 -1.233 -5.303) 5.445 3.629 ( 1.348 3.005 -1.612) 3.667 3.657 ( 3.162 -0.608 -1.198) 3.435 3.675 ( 0.141 3.691 0.168) 3.697 3.720 ( -0.729 3.867 -1.223) 4.121 3.772 ( 0.121 -1.818 -1.810) 2.569 3.818 ( -2.214 -2.879 -2.481) 4.398 3.842 ( -1.724 0.784 0.998) 2.140 3.913 ( -2.001 -3.168 -2.007) 4.251 3.971 ( -0.732 3.624 -1.879) 4.147 3.989 ( -0.265 6.310 1.458) 6.481 4.042 ( 0.438 -0.989 -1.228) 1.636 4.055 ( -0.095 3.696 1.475) 3.980 4.098 ( 0.285 -1.846 -0.369) 1.904 4.133 ( -0.609 0.827 -1.343) 1.690 4.159 ( 0.234 -0.202 -1.065) 1.109 4.188 ( -1.476 0.176 -1.593) 2.179 4.236 ( -0.522 0.750 0.591) 1.088 4.267 ( 1.673 0.840 2.249) 2.927 4.317 ( -0.590 5.877 -0.372) 5.919 4.338 ( -1.136 0.227 2.198) 2.484 4.373 ( -0.130 -1.752 1.956) 2.629 4.390 ( -0.079 -1.204 1.507) 1.931 4.399 ( -0.443 -0.374 -0.089) 0.587 4.453 ( 1.046 -3.269 -0.067) 3.433 4.468 ( 3.046 2.119 -0.462) 3.739 4.519 ( -1.575 3.012 0.069) 3.399 4.536 ( 0.567 -3.164 -0.791) 3.310 4.552 ( -0.124 3.951 -1.186) 4.127 4.597 ( -2.008 -2.452 -1.288) 3.421 4.642 ( -0.847 -4.710 1.044) 4.898 4.769 ( 2.758 1.185 -0.971) 3.155 4.820 ( 1.906 -3.040 -0.039) 3.588 4.936 ( 0.717 0.647 -3.032) 3.182 4.958 ( 0.017 -1.004 -2.262) 2.475 4.964 ( -0.713 1.241 1.285) 1.923 5.003 ( -1.857 -1.658 1.163) 2.748 5.083 ( -3.549 2.138 -2.139) 4.663 5.127 ( -1.864 -2.275 -0.116) 2.944 5.303 ( -1.260 4.270 -0.230) 4.458 5.343 ( -1.746 -0.682 0.716) 2.007 5.381 ( 0.519 0.901 0.282) 1.077 5.405 ( 0.987 -0.676 -0.891) 1.492 5.474 ( 0.809 -0.049 0.236) 0.844 5.487 ( 1.429 -0.831 0.722) 1.804 5.699 ( -0.464 0.709 -0.274) 0.890 5.711 ( -0.684 -0.216 -0.335) 0.792 5.824 ( 0.536 0.552 -0.147) 0.783 5.833 ( 0.703 -0.486 -0.104) 0.861 5.909 ( 0.366 3.271 1.239) 3.517 5.989 ( -0.888 -2.956 1.882) 3.615 6.024 ( -0.233 0.152 1.999) 2.018 6.073 ( 2.937 -5.206 0.436) 5.993 6.151 ( -0.655 1.816 1.182) 2.263 6.217 ( -0.234 -4.870 2.423) 5.444 6.880 ( -0.441 0.778 0.007) 0.894 6.881 ( 0.144 0.796 -0.052) 0.810 6.914 ( 0.045 1.036 -0.052) 1.039 6.930 ( 0.163 -0.190 -0.082) 0.263 6.956 ( 0.249 7.251 0.292) 7.261 7.037 ( 0.520 0.738 -0.032) 0.904 7.425 ( -0.104 -2.956 0.092) 2.959 7.463 ( -0.133 -5.402 0.039) 5.404 ======================= Grid point 50 (31/44) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 5.958 5.255 11.934) 14.336 1.071 ( 2.540 -3.397 4.534) 6.208 1.106 ( 6.015 6.639 11.555) 14.621 1.200 ( 0.572 -0.790 4.684) 4.785 1.282 ( 1.585 -4.198 3.613) 5.761 1.317 ( 3.441 -7.831 9.440) 12.739 1.558 ( -0.147 0.943 -3.513) 3.640 1.581 ( 0.080 -2.049 -5.293) 5.676 1.747 ( 0.837 3.286 -7.194) 7.953 1.798 ( 2.268 6.617 -0.258) 7.000 1.821 ( 0.222 -0.112 -4.104) 4.112 1.846 ( 3.288 8.259 4.591) 10.005 1.895 ( 0.236 4.243 1.564) 4.528 1.959 ( -0.511 -2.220 -1.767) 2.883 2.005 ( 4.572 -0.876 6.981) 8.391 2.042 ( 0.477 0.885 2.494) 2.689 2.072 ( -1.133 -1.827 6.310) 6.666 2.104 ( -1.498 2.320 -1.501) 3.143 2.167 ( 2.376 2.731 6.543) 7.478 2.194 ( 0.042 1.029 -1.543) 1.855 2.253 ( -1.361 -0.676 1.598) 2.205 2.301 ( -1.198 1.315 3.000) 3.488 2.320 ( -1.354 -2.725 2.665) 4.044 2.331 ( 2.122 0.083 0.865) 2.293 2.380 ( -4.245 -4.610 -0.337) 6.276 2.461 ( 1.739 -9.039 2.296) 9.487 2.479 ( 0.255 2.167 -0.710) 2.294 2.549 ( -0.389 -3.845 -0.857) 3.958 2.571 ( -2.606 1.227 -2.418) 3.761 2.640 ( 0.108 -1.864 0.578) 1.954 2.702 ( -4.291 1.991 0.836) 4.804 2.733 ( -0.544 -1.361 2.015) 2.492 2.793 ( -2.939 3.092 -2.247) 4.822 2.807 ( -1.125 1.137 -2.685) 3.125 2.884 ( -0.978 2.708 -7.107) 7.668 2.906 ( -0.082 2.030 -3.593) 4.127 2.934 ( -1.819 2.629 1.809) 3.673 2.957 ( -0.312 0.966 1.506) 1.817 3.006 ( -1.600 0.067 0.013) 1.601 3.022 ( 0.987 -1.910 1.381) 2.555 3.096 ( -2.068 0.844 -1.399) 2.635 3.101 ( 0.834 1.655 -1.356) 2.296 3.135 ( -0.261 -0.594 1.078) 1.258 3.149 ( -0.791 1.551 2.235) 2.833 3.228 ( -0.196 4.206 -1.903) 4.620 3.242 ( 3.448 2.223 -6.533) 7.714 3.249 ( -1.348 0.995 -1.240) 2.084 3.300 ( 2.858 -2.884 -1.583) 4.358 3.311 ( -0.968 0.425 -1.571) 1.893 3.351 ( 0.606 -0.909 -0.475) 1.191 3.382 ( 1.178 -3.678 -3.338) 5.105 3.402 ( 0.526 3.284 0.710) 3.401 3.428 ( -0.266 -0.990 -0.076) 1.028 3.440 ( 0.540 -1.201 -1.311) 1.858 3.481 ( 0.877 -4.730 -0.343) 4.823 3.513 ( -0.530 -3.908 -1.545) 4.236 3.542 ( -0.021 -0.244 -3.072) 3.082 3.566 ( -0.089 -2.393 -1.648) 2.907 3.657 ( -0.358 2.573 -1.209) 2.865 3.678 ( 2.391 1.393 -1.691) 3.243 3.694 ( -0.642 5.036 -0.998) 5.174 3.746 ( 3.106 3.996 -1.787) 5.368 3.765 ( -0.940 -1.703 -1.650) 2.552 3.790 ( -1.106 1.086 -1.744) 2.334 3.822 ( -0.513 -2.695 -0.495) 2.787 3.889 ( -0.615 -4.455 -0.250) 4.505 3.926 ( -1.910 4.995 -2.883) 6.076 3.979 ( -1.192 1.267 1.452) 2.266 4.040 ( -2.195 5.645 1.067) 6.150 4.051 ( -2.346 -0.090 2.267) 3.263 4.059 ( 0.115 6.197 -0.228) 6.202 4.092 ( -2.093 -3.744 -1.500) 4.544 4.156 ( 0.277 -0.518 0.436) 0.731 4.199 ( 1.362 0.085 -2.300) 2.674 4.230 ( 0.014 3.860 0.191) 3.865 4.271 ( -1.941 3.891 0.967) 4.455 4.286 ( -1.672 2.866 0.651) 3.381 4.342 ( 1.581 -2.600 1.918) 3.597 4.347 ( -1.989 0.388 1.676) 2.629 4.368 ( -1.595 -2.315 0.820) 2.929 4.402 ( 0.357 0.269 1.464) 1.531 4.463 ( -0.149 -2.636 -1.448) 3.011 4.487 ( -1.059 1.077 -0.056) 1.512 4.518 ( -0.241 -0.283 -0.213) 0.428 4.540 ( -0.672 2.408 -0.430) 2.537 4.556 ( 0.490 -1.443 0.295) 1.553 4.579 ( 0.780 -0.653 -1.471) 1.788 4.622 ( -0.272 -3.594 1.088) 3.765 4.816 ( 1.706 -0.550 -2.249) 2.876 4.839 ( -0.166 -2.314 -2.004) 3.065 4.904 ( -3.251 1.297 2.240) 4.156 4.956 ( -0.103 1.082 -0.693) 1.289 4.966 ( 0.108 -2.855 0.559) 2.912 4.981 ( 0.059 -0.626 -0.169) 0.651 5.045 ( 0.270 1.856 0.483) 1.937 5.082 ( -1.770 -1.825 1.682) 3.049 5.297 ( 0.287 3.089 1.166) 3.314 5.321 ( -0.642 -0.001 1.750) 1.864 5.388 ( 0.189 1.411 -0.727) 1.598 5.425 ( 0.788 -1.297 -1.493) 2.129 5.490 ( 0.963 0.462 -0.402) 1.142 5.517 ( 1.379 -1.820 -0.828) 2.430 5.692 ( -0.488 0.470 0.394) 0.784 5.693 ( -0.713 0.358 0.007) 0.798 5.825 ( -0.625 0.325 -0.359) 0.790 5.837 ( -0.355 -0.911 -0.538) 1.116 5.912 ( -0.140 2.327 1.236) 2.639 5.965 ( -1.065 -2.811 1.746) 3.477 6.037 ( 1.196 1.330 1.755) 2.506 6.098 ( -0.652 -4.803 1.707) 5.139 6.173 ( 2.568 2.437 -0.520) 3.578 6.229 ( 1.596 -3.067 1.008) 3.601 6.873 ( -0.193 0.998 0.190) 1.034 6.883 ( 0.123 0.577 0.106) 0.599 6.917 ( 0.252 1.117 -0.118) 1.151 6.936 ( 0.396 -0.591 -0.167) 0.730 6.965 ( 0.585 7.096 -0.139) 7.122 7.041 ( -0.159 0.760 -0.475) 0.910 7.422 ( -0.231 -3.290 0.101) 3.300 7.455 ( -0.539 -5.452 0.081) 5.479 ======================= Grid point 51 (32/44) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 2.868 3.157 1.894) 4.667 1.133 ( 2.567 -1.766 -0.096) 3.117 1.181 ( 2.908 4.688 4.978) 7.430 1.253 ( 4.821 1.455 7.319) 8.884 1.323 ( 3.356 -2.518 4.971) 6.505 1.417 ( 4.396 -8.600 3.799) 10.379 1.566 ( 1.093 0.813 -2.082) 2.488 1.590 ( -0.001 -1.775 -1.971) 2.653 1.734 ( -3.542 4.776 -4.665) 7.557 1.813 ( -0.564 0.907 -2.050) 2.312 1.839 ( 2.042 0.116 -3.093) 3.708 1.865 ( -0.386 7.608 1.995) 7.875 1.906 ( 0.558 5.220 -1.649) 5.503 1.957 ( 1.245 -5.161 1.703) 5.575 2.018 ( -3.710 -2.445 2.608) 5.152 2.028 ( -1.071 2.252 -0.062) 2.495 2.074 ( 0.010 3.585 -1.951) 4.082 2.136 ( 0.128 0.137 -0.822) 0.843 2.166 ( 2.653 -1.280 1.639) 3.371 2.172 ( -2.407 -1.003 -2.290) 3.470 2.256 ( 1.671 2.521 4.205) 5.180 2.286 ( -1.715 -1.273 2.392) 3.206 2.305 ( -0.993 -0.739 1.322) 1.811 2.308 ( -2.929 -1.290 -1.687) 3.617 2.368 ( 0.406 6.655 2.368) 7.075 2.416 ( -3.565 1.627 -5.547) 6.792 2.461 ( -5.197 -2.998 -8.552) 10.447 2.493 ( -5.816 -2.972 -4.023) 7.671 2.523 ( -0.102 2.561 0.245) 2.574 2.631 ( 3.812 -6.236 2.750) 7.809 2.697 ( 0.322 -1.569 3.333) 3.698 2.721 ( -1.323 -1.787 1.729) 2.816 2.763 ( 1.335 1.784 -0.594) 2.306 2.776 ( -0.932 2.230 -2.988) 3.843 2.852 ( -0.833 1.066 -3.339) 3.602 2.889 ( -1.950 -1.062 -2.587) 3.409 2.907 ( -0.155 3.069 2.321) 3.851 2.943 ( -0.897 -0.703 -1.070) 1.563 2.994 ( 0.444 6.262 3.393) 7.136 3.011 ( -1.588 -1.131 -0.163) 1.957 3.058 ( -0.942 -1.097 2.718) 3.079 3.098 ( -2.130 -0.868 -0.282) 2.317 3.115 ( -0.715 2.468 1.563) 3.007 3.152 ( -0.330 0.028 0.070) 0.339 3.203 ( -0.478 2.218 -1.670) 2.817 3.230 ( 0.108 0.688 -1.168) 1.360 3.271 ( -1.979 -0.733 -2.017) 2.920 3.320 ( 0.124 -0.304 -1.598) 1.632 3.335 ( 1.273 0.678 -3.144) 3.460 3.365 ( 0.781 -1.015 -4.600) 4.775 3.374 ( 0.005 -0.439 -1.563) 1.623 3.436 ( 0.856 -0.624 1.420) 1.772 3.442 ( -1.366 -1.365 0.452) 1.983 3.461 ( 2.662 0.470 2.641) 3.779 3.513 ( 1.869 -3.942 -0.246) 4.369 3.525 ( 1.701 -3.462 1.509) 4.142 3.562 ( 2.186 -1.761 0.281) 2.821 3.566 ( 1.596 -1.832 2.274) 3.328 3.663 ( -0.174 3.074 -1.855) 3.594 3.703 ( 1.429 2.805 -3.876) 4.994 3.709 ( 0.491 2.293 -3.757) 4.429 3.728 ( -0.979 0.330 -2.717) 2.906 3.752 ( -1.390 -0.688 -0.154) 1.558 3.791 ( -0.320 -0.815 -1.059) 1.374 3.831 ( 0.480 0.351 0.192) 0.625 3.860 ( 0.106 0.625 -1.470) 1.601 3.932 ( 0.240 1.049 0.097) 1.081 3.950 ( -1.120 -0.260 0.996) 1.522 3.977 ( -1.605 0.353 1.616) 2.305 4.024 ( -0.642 2.540 2.237) 3.445 4.075 ( 1.106 5.244 1.228) 5.499 4.081 ( 0.717 -0.430 0.301) 0.889 4.148 ( -1.515 5.089 0.036) 5.310 4.189 ( -2.240 3.066 -0.203) 3.802 4.218 ( -1.947 1.660 1.178) 2.817 4.241 ( -0.170 2.048 1.545) 2.571 4.265 ( -0.434 -0.283 -0.440) 0.679 4.312 ( -1.063 1.241 -0.057) 1.635 4.339 ( -0.850 -0.405 -0.727) 1.189 4.386 ( 1.799 -5.771 0.234) 6.050 4.403 ( -0.057 0.431 1.895) 1.944 4.459 ( -1.081 -0.246 -0.841) 1.392 4.467 ( 0.980 -2.601 -1.734) 3.276 4.494 ( -1.849 0.810 0.630) 2.115 4.521 ( -1.026 1.035 -1.298) 1.952 4.541 ( -2.298 -0.074 2.657) 3.513 4.586 ( 0.255 -1.570 1.210) 1.999 4.630 ( -0.046 -3.099 -0.662) 3.170 4.799 ( -1.627 2.505 -0.379) 3.011 4.862 ( 1.905 -1.739 -1.906) 3.208 4.876 ( -1.195 -3.235 0.692) 3.518 4.928 ( -1.462 -4.647 4.291) 6.492 4.967 ( 0.841 1.301 -0.331) 1.584 4.997 ( 1.399 -0.941 0.507) 1.761 5.061 ( 0.628 1.737 1.722) 2.525 5.085 ( 1.495 -0.331 1.754) 2.328 5.303 ( 0.109 2.226 2.322) 3.218 5.311 ( -0.399 0.785 2.178) 2.349 5.390 ( 0.019 1.967 -1.224) 2.317 5.434 ( 0.184 -1.643 -1.962) 2.565 5.519 ( 1.941 0.411 -1.216) 2.327 5.541 ( 1.024 -1.643 -1.793) 2.639 5.675 ( -0.803 0.645 0.479) 1.137 5.686 ( -0.404 -0.344 0.355) 0.638 5.793 ( -2.316 0.752 -0.358) 2.461 5.814 ( -1.771 -1.168 -0.676) 2.227 5.914 ( 0.410 1.772 1.507) 2.362 5.958 ( 0.176 -2.615 1.285) 2.919 6.058 ( 0.660 0.535 2.048) 2.218 6.078 ( -0.882 -1.217 2.722) 3.110 6.228 ( 2.536 3.045 -2.459) 4.664 6.274 ( 2.342 -1.664 -1.129) 3.087 6.873 ( 0.211 0.845 0.341) 0.936 6.887 ( 0.229 0.241 0.310) 0.454 6.923 ( 0.303 1.429 -0.158) 1.469 6.944 ( 0.353 -0.424 -0.217) 0.593 6.977 ( 0.532 5.767 -0.628) 5.825 7.030 ( -0.874 1.922 -0.933) 2.308 7.418 ( -0.113 -3.878 0.017) 3.879 7.443 ( -0.585 -5.463 0.025) 5.494 ======================= Grid point 52 (33/44) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.218 2.256 -2.486) 3.364 1.133 ( -0.501 -0.414 -1.493) 1.628 1.296 ( 4.563 1.966 2.431) 5.531 1.361 ( 5.952 0.350 5.332) 7.999 1.379 ( 0.016 -1.360 -0.479) 1.441 1.461 ( 0.114 -5.679 -1.677) 5.923 1.561 ( -1.660 3.099 4.184) 5.465 1.603 ( -0.294 -2.143 1.691) 2.746 1.665 ( 0.822 4.599 3.000) 5.552 1.756 ( -3.380 -2.864 -0.033) 4.430 1.826 ( -2.388 3.172 -2.126) 4.503 1.872 ( -3.232 2.511 0.253) 4.100 1.913 ( -4.066 2.518 2.414) 5.357 1.935 ( 1.276 0.193 0.131) 1.297 1.970 ( -1.291 -2.551 -0.697) 2.943 2.017 ( 0.944 0.933 -1.846) 2.274 2.076 ( 0.937 7.067 -3.243) 7.831 2.120 ( -2.698 1.805 -6.284) 7.073 2.163 ( 0.938 -1.692 -0.318) 1.961 2.177 ( -2.849 -1.971 -3.519) 4.938 2.218 ( -3.065 1.392 -2.194) 4.018 2.221 ( -4.001 3.526 -1.276) 5.483 2.265 ( -5.222 -2.504 -3.279) 6.655 2.307 ( -3.192 1.319 -5.103) 6.162 2.317 ( 2.397 1.827 1.201) 3.244 2.347 ( 2.851 -2.944 -3.693) 5.517 2.391 ( -1.108 -3.231 -1.745) 3.836 2.447 ( 0.372 -5.015 -4.306) 6.620 2.580 ( 2.557 3.630 0.689) 4.493 2.638 ( -1.538 -1.796 -3.796) 4.473 2.692 ( -0.689 -0.437 3.186) 3.288 2.715 ( -0.580 3.317 -1.992) 3.912 2.758 ( 0.612 -0.872 2.435) 2.658 2.831 ( 0.436 2.965 1.940) 3.570 2.845 ( 0.600 -3.857 0.910) 4.008 2.880 ( 2.338 0.126 0.764) 2.462 2.909 ( -0.125 4.259 1.725) 4.596 2.947 ( 0.467 -0.003 0.126) 0.484 2.964 ( -1.254 0.265 -0.201) 1.297 3.020 ( 0.793 6.583 3.820) 7.652 3.041 ( -0.542 -4.790 2.115) 5.264 3.063 ( -1.236 -1.328 0.900) 2.026 3.094 ( -0.421 1.836 1.312) 2.295 3.141 ( 0.131 1.355 -1.762) 2.227 3.198 ( -0.821 2.817 1.526) 3.308 3.209 ( -3.688 -0.908 -2.013) 4.299 3.258 ( 2.275 -2.058 -1.664) 3.490 3.274 ( -3.400 0.200 -0.992) 3.547 3.312 ( -0.809 1.844 -1.936) 2.793 3.372 ( -0.475 -4.212 -4.134) 5.921 3.392 ( -0.723 -3.242 -0.054) 3.323 3.450 ( 1.534 0.563 -1.271) 2.070 3.475 ( 2.834 1.526 1.704) 3.642 3.493 ( -0.264 -0.923 1.960) 2.182 3.528 ( 1.327 -2.459 2.777) 3.939 3.554 ( 0.913 -2.496 -1.797) 3.208 3.600 ( 0.673 -0.568 4.056) 4.151 3.607 ( 1.675 0.061 -0.148) 1.682 3.672 ( 0.393 2.846 -3.465) 4.501 3.697 ( -0.216 0.987 1.027) 1.440 3.709 ( 1.923 0.143 -4.983) 5.343 3.740 ( 0.293 0.330 -0.667) 0.800 3.762 ( 1.710 -1.151 -0.981) 2.283 3.779 ( -0.631 -3.761 -0.891) 3.916 3.850 ( -0.396 5.043 -0.814) 5.124 3.865 ( 2.744 0.148 -0.480) 2.790 3.927 ( 0.627 -0.335 2.119) 2.235 3.959 ( -0.429 0.830 0.795) 1.227 3.972 ( 1.641 0.229 2.181) 2.739 4.028 ( 0.923 0.636 3.278) 3.464 4.070 ( -0.867 2.365 0.154) 2.523 4.099 ( -2.291 1.072 -1.750) 3.075 4.127 ( -0.228 7.480 0.075) 7.484 4.155 ( -0.316 1.122 2.481) 2.742 4.183 ( 0.479 0.816 0.494) 1.067 4.244 ( 0.519 0.864 1.033) 1.444 4.263 ( 0.268 -0.281 0.510) 0.641 4.303 ( -0.142 1.712 0.725) 1.865 4.316 ( -1.134 -3.090 -0.680) 3.361 4.383 ( -2.623 -2.532 0.195) 3.651 4.414 ( -0.288 0.631 -2.162) 2.270 4.433 ( -0.991 1.404 -0.461) 1.779 4.472 ( 0.406 0.991 0.541) 1.200 4.483 ( -1.951 -0.811 1.203) 2.431 4.491 ( -0.933 1.519 -1.027) 2.057 4.514 ( 1.479 -0.120 -0.580) 1.593 4.590 ( 0.697 -2.879 1.368) 3.262 4.644 ( 1.637 -3.425 -0.840) 3.888 4.761 ( -2.554 -1.427 3.302) 4.412 4.822 ( -2.977 -4.576 2.693) 6.087 4.897 ( 1.376 0.055 -1.032) 1.721 4.937 ( 1.535 -2.884 -0.192) 3.273 5.002 ( 2.185 1.461 0.254) 2.641 5.034 ( 1.633 -1.286 0.882) 2.259 5.068 ( 0.243 2.044 2.451) 3.201 5.106 ( 0.097 -1.384 1.621) 2.134 5.306 ( 0.234 1.669 3.121) 3.547 5.307 ( 0.167 1.611 2.321) 2.830 5.387 ( -0.299 2.389 -1.115) 2.654 5.433 ( -0.226 -1.773 -1.885) 2.598 5.555 ( 0.304 0.391 -1.939) 2.001 5.563 ( 1.907 -0.416 -1.724) 2.604 5.663 ( -0.149 0.384 0.305) 0.513 5.678 ( -0.276 -1.044 -0.170) 1.093 5.749 ( -1.659 1.323 -0.425) 2.164 5.777 ( -1.566 -1.362 -0.492) 2.133 5.925 ( 0.459 1.608 1.833) 2.481 5.961 ( -0.116 -2.151 1.291) 2.512 6.060 ( -0.240 0.526 2.686) 2.748 6.072 ( 0.014 -0.612 2.243) 2.325 6.266 ( 1.139 3.388 -3.190) 4.791 6.307 ( 0.768 -0.840 -2.188) 2.466 6.879 ( 0.235 0.629 0.412) 0.787 6.892 ( 0.235 -0.049 0.373) 0.444 6.927 ( 0.078 1.684 -0.109) 1.689 6.948 ( 0.079 -0.490 -0.345) 0.604 6.983 ( -0.124 4.794 -0.567) 4.829 7.012 ( -0.619 3.314 -1.287) 3.608 7.418 ( 0.096 -4.333 -0.100) 4.335 7.435 ( -0.192 -5.344 -0.101) 5.348 ======================= Grid point 53 (34/44) ======================= q-point: (-0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.336 1.620 -2.868) 3.311 1.129 ( 0.032 -0.480 -1.091) 1.192 1.260 ( -8.234 1.891 0.665) 8.475 1.301 ( -4.397 -0.593 0.418) 4.456 1.413 ( -5.827 2.583 2.351) 6.794 1.498 ( 2.917 -4.494 5.366) 7.583 1.546 ( -0.784 -0.620 4.970) 5.069 1.592 ( 3.286 -2.668 4.646) 6.285 1.690 ( -0.813 2.752 4.321) 5.187 1.751 ( -1.035 -1.583 0.857) 2.076 1.785 ( 2.295 5.420 -1.515) 6.078 1.824 ( -1.994 2.215 -0.931) 3.122 1.831 ( -0.494 1.842 -1.607) 2.493 1.926 ( 0.202 -5.406 -0.503) 5.433 1.957 ( -2.390 8.550 1.555) 9.013 1.986 ( -3.674 2.117 -4.795) 6.402 2.004 ( -5.565 1.285 -1.217) 5.839 2.081 ( -2.553 -0.002 -4.086) 4.818 2.139 ( -0.348 -2.491 -2.670) 3.668 2.149 ( -0.992 -1.450 -1.460) 2.284 2.173 ( 0.828 1.716 -0.929) 2.120 2.192 ( -0.613 -0.433 -2.665) 2.769 2.242 ( 3.675 1.460 -2.045) 4.452 2.309 ( 2.490 0.792 -0.589) 2.679 2.346 ( -0.374 0.097 1.076) 1.144 2.401 ( 2.743 0.224 -2.377) 3.637 2.425 ( 1.416 -3.967 -3.812) 5.681 2.480 ( 3.319 -4.502 -3.350) 6.519 2.587 ( -2.217 1.263 -0.277) 2.566 2.619 ( -0.756 -0.825 -2.930) 3.137 2.664 ( -0.104 0.933 -1.004) 1.375 2.704 ( 0.015 0.139 -0.277) 0.310 2.763 ( -0.606 -2.338 3.267) 4.063 2.798 ( -1.162 -0.712 4.636) 4.833 2.866 ( -0.831 2.854 1.716) 3.432 2.897 ( 0.739 5.334 -2.354) 5.877 2.914 ( -0.392 -0.161 -0.001) 0.424 2.965 ( -0.306 1.423 2.263) 2.691 2.980 ( 2.037 0.390 -0.232) 2.087 3.004 ( 0.737 3.925 2.099) 4.512 3.052 ( -0.060 -2.646 1.437) 3.011 3.059 ( 0.139 -1.648 3.310) 3.700 3.097 ( 0.290 -0.075 0.005) 0.300 3.133 ( -2.502 -2.195 1.127) 3.514 3.161 ( -0.993 -0.952 -0.306) 1.410 3.171 ( 0.394 -1.593 -1.605) 2.295 3.248 ( 2.091 3.696 -1.654) 4.557 3.301 ( 1.515 0.843 -1.515) 2.303 3.305 ( -2.366 1.726 0.837) 3.045 3.336 ( -0.761 -3.521 -1.416) 3.871 3.381 ( 1.012 1.467 -2.096) 2.751 3.450 ( -1.355 3.669 0.210) 3.917 3.485 ( 0.229 -2.460 -1.124) 2.714 3.508 ( -2.276 -2.745 1.953) 4.065 3.551 ( 1.595 1.647 0.705) 2.399 3.580 ( 0.212 -0.405 -1.304) 1.382 3.612 ( 1.331 3.721 -1.586) 4.258 3.617 ( 0.435 -0.216 -1.855) 1.918 3.697 ( 1.186 0.173 -1.861) 2.213 3.712 ( -1.243 -1.864 -0.842) 2.393 3.736 ( 0.903 -3.516 -1.418) 3.897 3.763 ( 2.524 -3.599 -2.330) 4.975 3.778 ( 2.922 1.254 -0.614) 3.239 3.782 ( 0.758 0.036 0.460) 0.888 3.869 ( 1.061 4.176 -1.384) 4.525 3.896 ( -0.640 0.684 -1.183) 1.509 3.955 ( 1.086 2.684 0.455) 2.931 3.962 ( 2.241 1.254 2.894) 3.869 4.029 ( 3.169 -1.557 0.448) 3.559 4.039 ( -1.129 0.703 2.084) 2.472 4.050 ( -0.837 4.801 2.856) 5.648 4.062 ( -0.924 0.367 -1.334) 1.663 4.090 ( -0.049 -1.514 1.073) 1.856 4.164 ( -0.065 -0.654 3.318) 3.383 4.223 ( 0.920 2.833 -2.569) 3.933 4.257 ( 0.842 0.263 -0.265) 0.921 4.274 ( -0.238 -0.391 0.454) 0.645 4.293 ( 1.058 -3.746 0.330) 3.907 4.302 ( -0.776 0.277 -0.659) 1.055 4.326 ( -1.629 -0.650 0.875) 1.960 4.394 ( -0.787 1.933 1.108) 2.363 4.408 ( -1.484 2.009 -0.941) 2.669 4.463 ( 0.091 2.008 -1.196) 2.339 4.485 ( 0.421 3.041 0.609) 3.130 4.495 ( 1.971 1.953 2.505) 3.739 4.559 ( 2.629 -3.105 -1.823) 4.458 4.621 ( 1.582 -1.033 -2.707) 3.301 4.676 ( 1.365 -3.927 -1.524) 4.428 4.706 ( -2.523 -4.110 5.005) 6.951 4.768 ( -2.554 -5.760 3.227) 7.079 4.921 ( 1.102 2.391 -0.439) 2.669 4.970 ( 1.131 -1.931 -0.339) 2.263 5.032 ( 0.172 1.612 -0.244) 1.640 5.052 ( 1.320 0.190 0.150) 1.342 5.080 ( -1.101 -0.761 2.505) 2.840 5.098 ( 1.002 -2.204 1.675) 2.944 5.317 ( 0.930 2.157 2.456) 3.398 5.325 ( 1.356 1.883 3.319) 4.050 5.379 ( -0.404 2.337 -1.205) 2.660 5.424 ( -0.590 -2.072 -1.704) 2.747 5.537 ( -1.847 2.322 -1.942) 3.545 5.575 ( -1.249 -1.283 -2.146) 2.795 5.683 ( 1.800 -0.466 -0.146) 1.865 5.687 ( 1.465 -0.806 -0.160) 1.680 5.731 ( -0.119 1.376 -0.208) 1.397 5.758 ( -0.236 -1.473 0.030) 1.493 5.931 ( 0.116 1.306 2.022) 2.410 5.952 ( -0.634 -1.132 1.333) 1.860 6.056 ( -0.249 0.364 2.486) 2.525 6.069 ( -0.391 -0.633 2.325) 2.441 6.269 ( -0.787 2.712 -3.030) 4.142 6.300 ( -1.382 -0.494 -2.192) 2.638 6.880 ( -0.109 0.665 0.400) 0.784 6.895 ( 0.069 -0.369 0.256) 0.455 6.926 ( -0.162 1.661 -0.020) 1.669 6.948 ( -0.049 -0.792 -0.355) 0.869 6.971 ( -0.832 5.469 -0.256) 5.537 7.007 ( 0.025 3.125 -1.128) 3.323 7.420 ( 0.112 -4.232 -0.166) 4.237 7.437 ( 0.441 -5.270 -0.185) 5.291 ======================= Grid point 54 (35/44) ======================= q-point: (-0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -8.425 3.959 7.357) 11.865 1.118 ( -0.132 0.844 -0.809) 1.177 1.141 ( 0.217 0.489 -0.671) 0.858 1.217 ( -3.610 -5.210 6.314) 8.946 1.240 ( -9.609 5.531 7.705) 13.501 1.399 ( -6.859 -6.270 5.716) 10.910 1.591 ( 0.473 -1.626 1.149) 2.047 1.616 ( -1.116 -2.756 1.903) 3.530 1.725 ( 1.963 4.068 0.587) 4.555 1.755 ( 0.062 4.023 2.861) 4.937 1.767 ( 0.475 -0.602 -4.360) 4.427 1.830 ( -0.500 -2.720 -1.935) 3.375 1.866 ( -1.733 6.945 4.583) 8.499 1.885 ( 1.281 6.964 1.152) 7.174 1.927 ( 0.257 0.408 1.297) 1.384 1.946 ( 0.452 4.476 3.549) 5.730 1.978 ( 1.757 -1.030 0.813) 2.192 2.064 ( 1.451 0.478 -2.305) 2.765 2.088 ( -2.569 1.747 -2.175) 3.793 2.176 ( 1.655 -5.449 -0.951) 5.773 2.199 ( 3.210 -2.143 0.965) 3.979 2.248 ( 2.587 -6.514 0.741) 7.048 2.282 ( -0.761 3.792 5.447) 6.681 2.347 ( 3.230 2.544 -2.930) 5.049 2.379 ( 2.365 -2.613 0.903) 3.638 2.403 ( -2.229 -3.253 -2.954) 4.927 2.458 ( 2.569 3.734 -0.925) 4.626 2.504 ( -1.571 -0.211 0.759) 1.758 2.572 ( 2.693 -1.560 -3.601) 4.760 2.612 ( 0.069 -2.810 -0.801) 2.922 2.688 ( 0.172 -1.693 -2.761) 3.243 2.705 ( 1.720 0.730 -2.895) 3.445 2.782 ( 1.912 0.827 3.299) 3.901 2.804 ( 1.921 -0.636 2.044) 2.876 2.848 ( -1.069 2.876 -0.233) 3.077 2.874 ( -1.797 -0.340 -0.281) 1.850 2.892 ( -1.292 -0.104 0.546) 1.406 2.950 ( -3.230 -1.946 0.866) 3.869 2.973 ( 0.331 2.363 -0.379) 2.416 3.025 ( 1.211 -0.396 1.134) 1.706 3.049 ( 1.534 1.974 2.093) 3.261 3.095 ( 1.098 -1.633 3.648) 4.145 3.114 ( 1.429 1.002 0.277) 1.768 3.135 ( 0.734 4.674 -1.687) 5.023 3.142 ( 1.301 -1.648 -2.766) 3.473 3.209 ( 1.469 -1.574 -0.223) 2.164 3.264 ( -0.369 0.096 1.321) 1.375 3.292 ( 0.963 0.326 -2.366) 2.575 3.312 ( 0.498 2.582 -1.422) 2.989 3.343 ( 0.146 -1.757 -0.938) 1.997 3.394 ( -0.909 1.880 -0.332) 2.115 3.435 ( 0.732 5.001 -0.739) 5.108 3.456 ( -2.049 0.550 -0.357) 2.151 3.474 ( -0.459 -0.311 0.162) 0.577 3.547 ( -0.656 1.342 -0.999) 1.796 3.576 ( -1.165 1.756 -2.674) 3.405 3.600 ( -1.309 -1.907 -1.316) 2.661 3.648 ( -1.107 -0.159 -3.199) 3.389 3.665 ( -0.363 0.328 -2.922) 2.962 3.677 ( -2.228 -0.932 -0.023) 2.415 3.747 ( -0.885 -2.055 -3.149) 3.863 3.793 ( -0.395 -4.477 -2.786) 5.288 3.820 ( -2.079 1.541 -2.247) 3.427 3.838 ( 2.400 -0.953 -0.052) 2.583 3.869 ( 1.787 4.902 -3.094) 6.066 3.919 ( 3.690 0.648 -1.907) 4.204 3.961 ( -1.069 3.056 2.135) 3.878 3.996 ( 0.083 2.750 0.187) 2.757 4.012 ( 1.494 2.796 0.817) 3.274 4.037 ( 0.596 -2.255 -0.569) 2.401 4.069 ( 0.329 -2.582 -1.600) 3.055 4.096 ( 1.497 2.586 1.285) 3.253 4.101 ( -0.330 -3.842 2.586) 4.643 4.143 ( 0.716 -0.993 2.166) 2.488 4.234 ( 0.733 4.599 -1.763) 4.979 4.264 ( -0.702 0.430 -0.468) 0.947 4.288 ( 1.311 1.100 0.565) 1.803 4.299 ( 2.006 -0.912 -0.211) 2.213 4.325 ( 1.089 -1.019 1.624) 2.205 4.335 ( 2.115 -2.078 -0.204) 2.972 4.375 ( -1.162 2.395 0.662) 2.743 4.395 ( 0.644 0.715 1.961) 2.185 4.477 ( 0.871 2.388 -1.635) 3.022 4.501 ( 0.674 0.935 0.047) 1.154 4.546 ( 2.304 2.182 0.470) 3.208 4.594 ( 0.001 -1.719 0.521) 1.797 4.635 ( -0.185 -1.186 -0.459) 1.285 4.673 ( -0.248 -2.681 1.991) 3.349 4.694 ( -0.406 -3.614 -2.989) 4.707 4.733 ( 0.392 -6.820 2.093) 7.145 4.935 ( 0.075 3.439 0.414) 3.465 4.972 ( -0.436 0.352 -1.652) 1.745 5.029 ( -2.363 -0.739 2.825) 3.756 5.035 ( -0.287 -1.775 1.308) 2.224 5.090 ( 1.859 1.446 -0.514) 2.411 5.133 ( 1.674 -3.280 -0.926) 3.797 5.339 ( 0.987 3.236 1.864) 3.862 5.361 ( 2.068 1.717 2.413) 3.612 5.375 ( 0.100 1.412 -1.207) 1.860 5.410 ( -0.803 -1.826 -1.684) 2.611 5.489 ( -2.538 2.076 -1.176) 3.483 5.522 ( -3.319 -1.145 -1.621) 3.867 5.703 ( 0.427 0.226 -0.677) 0.832 5.721 ( 0.692 -1.232 -0.928) 1.691 5.754 ( 2.284 0.427 1.084) 2.564 5.772 ( 1.781 -1.080 0.862) 2.254 5.926 ( -0.736 1.294 1.414) 2.053 5.947 ( 0.514 -0.881 1.845) 2.109 6.048 ( -0.678 0.174 1.946) 2.068 6.057 ( -0.811 -0.582 2.440) 2.636 6.235 ( -2.380 1.482 -2.099) 3.503 6.261 ( -2.016 -1.093 -0.874) 2.454 6.877 ( -0.139 0.887 0.282) 0.941 6.894 ( -0.143 -0.568 0.033) 0.587 6.922 ( -0.248 1.352 0.013) 1.374 6.942 ( -0.654 0.008 -0.404) 0.769 6.959 ( -0.255 5.620 0.201) 5.630 7.011 ( 0.416 2.330 -0.467) 2.412 7.423 ( 0.155 -3.644 -0.128) 3.650 7.449 ( 0.639 -5.330 -0.156) 5.371 ======================= Grid point 55 (36/44) ======================= q-point: (-0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -4.810 5.014 14.142) 15.757 1.058 ( -6.090 -1.520 9.472) 11.363 1.099 ( -3.230 1.921 9.264) 9.997 1.146 ( -0.179 -1.049 3.790) 3.936 1.203 ( 1.976 -0.755 4.585) 5.049 1.300 ( -2.256 -6.973 7.531) 10.508 1.572 ( -1.256 0.161 1.058) 1.650 1.616 ( 0.570 -3.028 -2.086) 3.721 1.714 ( -1.213 8.738 4.995) 10.138 1.722 ( -0.722 5.808 -0.317) 5.862 1.787 ( -1.061 2.955 -1.833) 3.635 1.814 ( -0.041 -0.809 -1.739) 1.918 1.841 ( -0.833 8.823 1.356) 8.966 1.919 ( 2.310 -0.022 3.890) 4.524 1.946 ( 0.072 -3.813 5.353) 6.572 1.999 ( 3.335 2.581 1.564) 4.498 2.031 ( 2.247 2.226 0.800) 3.262 2.077 ( 2.613 1.254 1.355) 3.199 2.118 ( 2.147 -3.826 1.370) 4.597 2.200 ( 0.545 -3.123 1.749) 3.620 2.248 ( -0.032 -5.968 1.858) 6.251 2.268 ( 1.645 -3.294 5.912) 6.965 2.295 ( 1.476 0.929 3.266) 3.703 2.357 ( -0.015 -2.311 0.634) 2.396 2.381 ( -0.706 1.683 -1.790) 2.557 2.428 ( 1.966 -2.741 1.162) 3.568 2.479 ( -0.067 0.539 1.241) 1.355 2.523 ( 1.409 -1.793 2.801) 3.612 2.627 ( 3.509 2.179 -4.937) 6.437 2.640 ( 1.790 -0.371 -2.772) 3.321 2.686 ( -1.298 3.131 -2.327) 4.111 2.726 ( 1.080 -1.772 0.024) 2.076 2.797 ( 0.889 1.150 2.314) 2.733 2.841 ( 1.371 1.356 -2.525) 3.177 2.855 ( 0.007 -0.709 -3.987) 4.050 2.880 ( 2.647 -1.418 0.103) 3.005 2.895 ( 1.206 -0.942 -0.633) 1.656 2.914 ( 1.170 -1.364 1.057) 2.085 3.009 ( 1.929 2.443 -1.650) 3.523 3.033 ( -0.359 0.308 -0.056) 0.477 3.066 ( -0.796 4.662 1.470) 4.953 3.097 ( 1.345 2.996 -0.338) 3.302 3.120 ( 0.000 0.344 2.624) 2.646 3.148 ( 0.786 0.436 -1.751) 1.968 3.194 ( 0.348 0.537 -0.372) 0.740 3.225 ( 0.977 -0.524 -1.731) 2.055 3.252 ( -1.206 -0.029 0.959) 1.542 3.297 ( 0.322 -1.782 -1.403) 2.291 3.326 ( -1.097 0.145 -1.982) 2.269 3.345 ( 0.648 5.141 0.615) 5.218 3.352 ( -1.192 -3.259 -3.858) 5.189 3.426 ( -0.484 -2.049 1.298) 2.473 3.470 ( 1.619 3.643 -0.389) 4.006 3.489 ( -0.040 1.948 1.189) 2.282 3.526 ( -0.874 4.247 -7.122) 8.338 3.554 ( -0.381 -0.277 -2.691) 2.732 3.575 ( -0.855 -1.135 -0.686) 1.578 3.610 ( -2.420 -2.172 -6.101) 6.914 3.620 ( -1.661 0.901 0.352) 1.922 3.643 ( -2.329 -0.893 -5.296) 5.854 3.711 ( -3.038 -0.783 -1.394) 3.433 3.739 ( -1.861 0.804 -2.141) 2.949 3.788 ( -1.077 -0.932 -1.571) 2.121 3.849 ( -0.426 -1.791 -1.439) 2.337 3.896 ( -2.722 1.772 -0.388) 3.271 3.933 ( 0.866 3.921 -2.723) 4.852 3.970 ( 1.566 1.899 -0.747) 2.572 3.991 ( -2.118 -1.883 -0.111) 2.836 4.036 ( 1.796 3.299 2.224) 4.365 4.052 ( -0.859 0.316 -1.405) 1.676 4.081 ( 1.803 -0.341 -0.339) 1.866 4.109 ( 1.292 -2.297 -0.826) 2.762 4.137 ( 2.303 1.812 -1.077) 3.122 4.182 ( 2.296 -1.124 0.777) 2.672 4.242 ( -0.270 1.202 0.053) 1.233 4.253 ( -0.137 0.836 -0.321) 0.906 4.309 ( 0.727 4.262 0.306) 4.334 4.342 ( 1.305 0.168 1.246) 1.812 4.362 ( 1.804 -0.727 -0.078) 1.947 4.373 ( 0.892 0.701 2.488) 2.734 4.380 ( 2.146 -1.273 0.355) 2.521 4.414 ( 1.300 0.402 1.677) 2.160 4.476 ( -1.685 -0.872 -1.378) 2.345 4.509 ( 0.935 1.440 -0.176) 1.726 4.559 ( -1.046 1.210 -0.240) 1.617 4.569 ( -1.480 0.752 0.353) 1.697 4.636 ( -0.590 -4.956 0.041) 4.992 4.646 ( -0.947 -3.057 -0.917) 3.330 4.716 ( 2.234 0.889 -0.647) 2.490 4.772 ( 2.530 -4.594 0.133) 5.246 4.931 ( -0.131 3.021 -0.801) 3.128 4.964 ( -0.364 -0.236 -2.480) 2.518 4.982 ( -1.711 0.578 2.337) 2.954 5.029 ( -0.689 -3.092 1.857) 3.672 5.121 ( 0.587 0.981 -2.835) 3.057 5.148 ( -0.334 -2.037 -1.427) 2.510 5.344 ( -1.346 4.321 -1.909) 4.912 5.375 ( -0.255 0.923 0.638) 1.151 5.382 ( -1.244 -0.182 -0.250) 1.281 5.393 ( 0.102 -0.390 -0.842) 0.934 5.457 ( 0.035 0.705 1.749) 1.886 5.474 ( -0.596 -1.060 0.160) 1.226 5.707 ( -0.092 0.259 -0.627) 0.685 5.720 ( -0.356 -0.632 -0.610) 0.948 5.800 ( 1.952 0.411 0.847) 2.167 5.812 ( 1.471 -0.448 0.402) 1.589 5.910 ( -0.608 2.404 1.254) 2.778 5.977 ( 2.086 -3.840 1.771) 4.715 6.035 ( -0.268 -0.080 1.340) 1.369 6.040 ( -0.847 -0.668 2.673) 2.883 6.183 ( -2.324 1.134 -0.339) 2.608 6.229 ( -1.050 -3.532 1.146) 3.858 6.877 ( 0.152 0.946 0.086) 0.962 6.889 ( -0.398 -0.114 -0.114) 0.430 6.916 ( -0.263 1.165 -0.084) 1.197 6.931 ( -0.290 0.899 -0.046) 0.946 6.955 ( -0.119 5.792 0.307) 5.802 7.023 ( 0.726 1.356 0.034) 1.538 7.426 ( 0.087 -3.097 -0.007) 3.098 7.460 ( 0.373 -5.373 -0.061) 5.387 ======================= Grid point 63 (37/44) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 0.000 0.008) 0.008 1.097 ( -0.000 0.000 -0.007) 0.007 1.128 ( -0.000 0.000 0.000) 0.000 1.319 ( -0.000 0.000 -0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.435 ( -0.000 0.000 0.003) 0.003 1.456 ( 0.000 0.000 -0.003) 0.003 1.539 ( 0.000 0.000 0.000) 0.000 1.573 ( -0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 0.000) 0.000 1.766 ( -0.000 0.000 0.000) 0.000 1.874 ( -0.000 0.000 -0.000) 0.000 1.942 ( 0.000 0.000 -0.000) 0.000 1.979 ( -0.000 0.000 0.001) 0.001 2.011 ( -0.000 0.000 0.000) 0.000 2.082 ( -0.000 0.000 0.000) 0.000 2.194 ( -0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.003) 0.003 2.200 ( -0.000 0.000 -0.003) 0.003 2.338 ( 0.000 0.000 0.000) 0.000 2.358 ( -0.000 0.000 -0.001) 0.001 2.376 ( 0.000 0.000 0.001) 0.001 2.424 ( 0.000 0.000 0.000) 0.000 2.468 ( -0.000 0.000 0.000) 0.000 2.473 ( -0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 -0.000) 0.000 2.568 ( -0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 -0.000) 0.000 2.693 ( -0.000 0.000 0.000) 0.000 2.766 ( -0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 2.945 ( -0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.096 ( -0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 -0.000) 0.000 3.144 ( -0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 -0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.190 ( -0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 -0.004) 0.004 3.234 ( -0.000 0.000 0.004) 0.004 3.298 ( 0.000 0.000 -0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.348 ( -0.000 0.000 -0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.418 ( -0.000 0.000 0.000) 0.000 3.437 ( -0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.597 ( -0.001 0.000 0.001) 0.001 3.605 ( 0.001 0.000 -0.000) 0.001 3.713 ( -0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 -0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.885 ( -0.000 0.000 -0.000) 0.000 3.886 ( -0.000 0.000 0.000) 0.000 3.968 ( -0.001 0.000 0.000) 0.001 3.974 ( 0.001 0.000 -0.000) 0.001 4.017 ( 0.000 0.000 0.000) 0.000 4.051 ( -0.000 0.000 -0.000) 0.000 4.108 ( -0.000 0.000 -0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.152 ( -0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 -0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.391 ( -0.000 0.000 0.000) 0.000 4.397 ( -0.000 0.000 0.000) 0.000 4.399 ( -0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.444 ( -0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.001) 0.001 4.512 ( 0.000 0.000 -0.001) 0.001 4.520 ( -0.000 0.000 0.001) 0.001 4.530 ( -0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.814 ( -0.000 0.000 -0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.888 ( -0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 4.990 ( -0.000 0.000 0.000) 0.000 4.994 ( -0.000 0.000 0.000) 0.000 5.051 ( -0.000 0.000 0.000) 0.000 5.174 ( -0.000 0.000 0.000) 0.000 5.231 ( -0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.377 ( -0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.816 ( -0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.877 ( -0.000 0.000 0.000) 0.000 6.015 ( -0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.110 ( -0.000 0.000 0.000) 0.000 6.168 ( -0.000 0.000 0.000) 0.000 6.312 ( -0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.904 ( -0.000 0.000 0.000) 0.000 6.932 ( -0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.479 ( -0.000 0.000 0.000) 0.000 7.531 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 65 (38/44) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.822 0.000 1.382) 1.608 1.127 ( 2.845 0.000 -1.303) 3.129 1.132 ( -0.134 0.000 0.775) 0.787 1.272 ( -2.455 0.000 -10.085) 10.380 1.457 ( 1.401 0.000 7.195) 7.331 1.482 ( 4.305 0.000 8.126) 9.196 1.492 ( 4.068 0.000 -9.113) 9.979 1.553 ( -0.044 0.000 4.591) 4.591 1.579 ( 2.508 0.000 -3.949) 4.679 1.620 ( -1.955 0.000 -7.049) 7.316 1.735 ( -2.667 0.000 1.184) 2.918 1.816 ( 4.031 0.000 2.992) 5.020 1.883 ( 0.463 0.000 1.305) 1.385 1.938 ( 0.116 0.000 -7.086) 7.087 1.957 ( -1.383 0.000 -2.433) 2.799 1.992 ( -1.899 0.000 -2.740) 3.334 2.112 ( 2.381 0.000 3.062) 3.879 2.181 ( -2.285 0.000 -1.983) 3.025 2.189 ( -0.658 0.000 -0.793) 1.031 2.229 ( -0.111 0.000 -0.262) 0.285 2.251 ( -6.353 0.000 -3.421) 7.215 2.345 ( 0.530 0.000 -0.916) 1.058 2.400 ( -2.842 0.000 5.024) 5.772 2.415 ( -1.738 0.000 1.707) 2.436 2.420 ( -1.992 0.000 -0.494) 2.053 2.452 ( -0.900 0.000 -3.716) 3.823 2.493 ( -4.581 0.000 0.770) 4.645 2.517 ( -5.204 0.000 4.287) 6.742 2.567 ( -1.162 0.000 -1.927) 2.250 2.615 ( 2.081 0.000 -8.333) 8.590 2.625 ( -5.834 0.000 0.056) 5.834 2.735 ( 0.512 0.000 3.364) 3.403 2.740 ( -1.426 0.000 -1.416) 2.010 2.836 ( 2.687 0.000 -2.046) 3.377 2.852 ( -1.141 0.000 2.973) 3.185 2.883 ( 1.824 0.000 0.961) 2.061 2.915 ( -0.257 0.000 0.768) 0.810 2.937 ( -0.744 0.000 -0.350) 0.822 2.961 ( -0.841 0.000 0.234) 0.872 2.983 ( -2.052 0.000 -1.745) 2.694 3.070 ( -1.051 0.000 -1.917) 2.186 3.111 ( -1.938 0.000 -1.415) 2.400 3.138 ( -2.185 0.000 1.946) 2.926 3.168 ( 3.226 0.000 5.346) 6.244 3.196 ( -0.045 0.000 -0.207) 0.212 3.215 ( 0.108 0.000 0.363) 0.378 3.222 ( 1.236 0.000 -4.471) 4.638 3.278 ( 3.018 0.000 -3.981) 4.996 3.286 ( -0.932 0.000 -1.501) 1.767 3.365 ( 5.029 0.000 -3.319) 6.025 3.368 ( -1.537 0.000 -0.427) 1.595 3.382 ( -2.413 0.000 -0.187) 2.420 3.419 ( 1.295 0.000 2.115) 2.480 3.452 ( 5.505 0.000 1.263) 5.648 3.473 ( 2.239 0.000 2.498) 3.354 3.487 ( 1.523 0.000 -1.128) 1.895 3.545 ( 2.809 0.000 -0.659) 2.886 3.561 ( -0.018 0.000 2.874) 2.874 3.617 ( 2.539 0.000 1.075) 2.757 3.627 ( 1.200 0.000 2.313) 2.606 3.692 ( -3.057 0.000 -1.349) 3.341 3.726 ( -4.155 0.000 2.387) 4.792 3.739 ( 1.388 0.000 1.622) 2.135 3.793 ( 1.450 0.000 1.841) 2.343 3.823 ( 1.881 0.000 1.806) 2.607 3.893 ( 0.765 0.000 -0.670) 1.016 3.918 ( 0.998 0.000 1.850) 2.102 3.944 ( -0.769 0.000 0.873) 1.163 4.006 ( -0.994 0.000 0.664) 1.196 4.011 ( 1.638 0.000 1.573) 2.271 4.038 ( -1.401 0.000 -1.243) 1.873 4.102 ( -0.144 0.000 0.241) 0.280 4.135 ( -1.830 0.000 -0.502) 1.898 4.162 ( 0.723 0.000 -0.563) 0.916 4.171 ( 1.363 0.000 0.020) 1.364 4.269 ( -0.931 0.000 2.032) 2.235 4.300 ( -1.582 0.000 1.153) 1.957 4.351 ( -2.462 0.000 0.433) 2.500 4.369 ( -1.453 0.000 -2.304) 2.724 4.385 ( -1.632 0.000 -0.924) 1.876 4.426 ( -0.934 0.000 -2.837) 2.987 4.438 ( -1.105 0.000 2.871) 3.076 4.475 ( -1.225 0.000 -1.089) 1.639 4.516 ( -1.091 0.000 -1.124) 1.566 4.522 ( 1.082 0.000 1.348) 1.729 4.568 ( 3.447 0.000 -0.665) 3.510 4.640 ( 2.915 0.000 2.917) 4.124 4.689 ( -1.753 0.000 0.379) 1.794 4.785 ( -2.051 0.000 -3.355) 3.932 4.873 ( 0.272 0.000 -1.400) 1.426 4.890 ( 0.686 0.000 -0.575) 0.895 4.937 ( 0.041 0.000 -0.150) 0.155 5.005 ( 0.627 0.000 5.351) 5.388 5.013 ( 1.924 0.000 -0.887) 2.119 5.074 ( 1.754 0.000 1.553) 2.343 5.165 ( -1.021 0.000 2.417) 2.624 5.241 ( 0.902 0.000 -0.207) 0.926 5.352 ( -0.878 0.000 1.617) 1.840 5.384 ( 0.422 0.000 0.001) 0.422 5.407 ( -0.445 0.000 -1.499) 1.564 5.481 ( 0.753 0.000 -0.072) 0.756 5.511 ( 0.242 0.000 -2.017) 2.031 5.694 ( 0.741 0.000 0.884) 1.154 5.696 ( -0.551 0.000 0.728) 0.913 5.814 ( -0.478 0.000 -0.409) 0.630 5.840 ( -1.012 0.000 -1.116) 1.506 5.889 ( 0.995 0.000 -0.033) 0.995 6.027 ( 1.138 0.000 0.022) 1.138 6.045 ( -3.120 0.000 0.471) 3.156 6.118 ( -0.083 0.000 -2.467) 2.469 6.161 ( 0.202 0.000 0.660) 0.690 6.297 ( -1.046 0.000 0.252) 1.076 6.865 ( 0.124 0.000 0.114) 0.168 6.867 ( 0.622 0.000 0.700) 0.936 6.874 ( 0.451 0.000 -0.528) 0.695 6.904 ( -0.027 0.000 -0.099) 0.103 6.937 ( 0.441 0.000 -0.104) 0.453 7.005 ( -0.831 0.000 -0.762) 1.128 7.479 ( -0.003 0.000 0.047) 0.047 7.527 ( -0.419 0.000 0.101) 0.431 ======================= Grid point 66 (39/44) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.333 0.000 1.209) 1.800 1.122 ( -0.335 0.000 0.014) 0.335 1.204 ( 4.488 0.000 -0.960) 4.590 1.256 ( 0.920 0.000 -7.270) 7.328 1.493 ( 1.890 0.000 6.387) 6.661 1.545 ( -0.997 0.000 -2.511) 2.702 1.555 ( 1.545 0.000 -0.287) 1.572 1.608 ( 5.189 0.000 -4.134) 6.635 1.616 ( 3.891 0.000 0.126) 3.893 1.661 ( 5.695 0.000 -2.901) 6.391 1.686 ( -1.158 0.000 2.691) 2.930 1.865 ( 0.195 0.000 1.819) 1.829 1.876 ( -1.197 0.000 1.227) 1.715 1.915 ( -3.109 0.000 -0.520) 3.152 1.957 ( -0.931 0.000 -0.485) 1.050 1.988 ( 5.166 0.000 -8.204) 9.695 2.040 ( -8.980 0.000 -5.742) 10.659 2.106 ( -8.435 0.000 -11.372) 14.159 2.129 ( -3.086 0.000 4.154) 5.175 2.173 ( -3.816 0.000 -2.519) 4.572 2.204 ( 1.294 0.000 -0.153) 1.303 2.284 ( -5.879 0.000 1.151) 5.991 2.319 ( -2.828 0.000 -4.007) 4.904 2.358 ( -4.621 0.000 3.210) 5.626 2.397 ( -1.274 0.000 1.520) 1.983 2.406 ( -1.753 0.000 1.267) 2.163 2.428 ( -1.090 0.000 4.093) 4.236 2.495 ( 1.634 0.000 2.217) 2.754 2.520 ( -2.524 0.000 2.029) 3.238 2.539 ( 0.297 0.000 -4.600) 4.609 2.686 ( 3.304 0.000 -6.116) 6.951 2.705 ( -3.390 0.000 0.980) 3.529 2.790 ( -3.445 0.000 1.941) 3.954 2.811 ( 5.220 0.000 9.148) 10.532 2.881 ( -1.191 0.000 1.283) 1.751 2.910 ( 4.495 0.000 -6.084) 7.565 2.913 ( -0.576 0.000 -3.919) 3.961 2.913 ( 0.030 0.000 -0.174) 0.176 2.956 ( -1.737 0.000 1.278) 2.156 2.978 ( 1.221 0.000 0.694) 1.404 3.055 ( -0.062 0.000 -2.372) 2.373 3.069 ( -1.795 0.000 1.868) 2.591 3.104 ( -0.308 0.000 2.396) 2.416 3.182 ( -0.951 0.000 1.956) 2.175 3.204 ( -1.233 0.000 -1.761) 2.150 3.207 ( 0.498 0.000 -1.447) 1.530 3.258 ( 0.398 0.000 -1.251) 1.313 3.289 ( -1.201 0.000 -2.487) 2.762 3.297 ( -0.058 0.000 -1.655) 1.656 3.322 ( -1.344 0.000 0.575) 1.462 3.354 ( 0.786 0.000 -2.661) 2.775 3.433 ( 1.377 0.000 -5.924) 6.082 3.477 ( -0.431 0.000 -3.398) 3.425 3.493 ( 5.777 0.000 -1.191) 5.898 3.539 ( 0.739 0.000 1.220) 1.426 3.563 ( 4.176 0.000 7.255) 8.371 3.585 ( 1.258 0.000 2.979) 3.234 3.615 ( 3.730 0.000 -3.528) 5.134 3.628 ( -1.937 0.000 -0.488) 1.997 3.632 ( -0.428 0.000 2.386) 2.424 3.654 ( -0.457 0.000 7.504) 7.518 3.684 ( 2.893 0.000 2.798) 4.025 3.760 ( 0.456 0.000 2.362) 2.405 3.828 ( 1.790 0.000 1.896) 2.607 3.877 ( -3.853 0.000 1.234) 4.046 3.896 ( 3.443 0.000 0.418) 3.468 3.924 ( -0.521 0.000 1.250) 1.354 3.925 ( 2.446 0.000 -0.833) 2.584 3.972 ( -2.514 0.000 1.050) 2.724 4.012 ( -0.584 0.000 -0.757) 0.956 4.048 ( 1.527 0.000 2.960) 3.331 4.098 ( -0.410 0.000 0.427) 0.592 4.127 ( 0.287 0.000 0.001) 0.287 4.182 ( -1.190 0.000 -0.474) 1.281 4.185 ( 1.164 0.000 -0.845) 1.438 4.246 ( -2.027 0.000 1.271) 2.392 4.250 ( -0.152 0.000 2.373) 2.378 4.328 ( -1.098 0.000 -0.816) 1.368 4.339 ( -1.549 0.000 -4.112) 4.394 4.346 ( -1.030 0.000 0.238) 1.057 4.410 ( -1.256 0.000 2.088) 2.437 4.410 ( -0.086 0.000 -3.146) 3.147 4.438 ( -2.413 0.000 -0.047) 2.413 4.493 ( -1.263 0.000 -1.709) 2.125 4.532 ( -0.092 0.000 -0.318) 0.331 4.608 ( -0.942 0.000 -0.617) 1.126 4.640 ( -2.786 0.000 1.300) 3.074 4.674 ( 0.192 0.000 3.438) 3.443 4.782 ( 2.849 0.000 -1.336) 3.146 4.873 ( -0.220 0.000 -0.473) 0.521 4.925 ( 2.582 0.000 -3.148) 4.071 4.953 ( 1.417 0.000 -0.716) 1.588 5.014 ( 0.115 0.000 4.704) 4.705 5.053 ( 1.515 0.000 0.264) 1.537 5.106 ( 1.344 0.000 -0.138) 1.351 5.127 ( -2.899 0.000 4.781) 5.591 5.266 ( 1.398 0.000 -0.291) 1.428 5.332 ( -0.958 0.000 1.358) 1.662 5.380 ( -0.878 0.000 -1.004) 1.334 5.403 ( 0.160 0.000 -0.184) 0.244 5.512 ( 2.238 0.000 0.470) 2.287 5.515 ( 0.305 0.000 -2.708) 2.725 5.686 ( -0.381 0.000 1.113) 1.177 5.703 ( -0.062 0.000 0.917) 0.919 5.779 ( -3.027 0.000 -0.546) 3.076 5.813 ( -1.483 0.000 -1.171) 1.889 5.912 ( 1.169 0.000 0.357) 1.222 5.996 ( -1.111 0.000 -1.441) 1.820 6.053 ( 1.227 0.000 -0.217) 1.246 6.100 ( -1.134 0.000 -0.881) 1.437 6.184 ( 1.585 0.000 1.238) 2.011 6.287 ( 0.113 0.000 -0.482) 0.495 6.871 ( 0.437 0.000 0.122) 0.454 6.875 ( 0.184 0.000 0.562) 0.592 6.890 ( 1.092 0.000 -0.402) 1.163 6.904 ( 0.024 0.000 -0.116) 0.118 6.947 ( 0.450 0.000 -0.150) 0.474 6.979 ( -1.566 0.000 -0.768) 1.744 7.480 ( 0.078 0.000 0.073) 0.107 7.516 ( -0.605 0.000 0.118) 0.616 ======================= Grid point 67 (40/44) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.687 0.000 0.479) 0.838 1.124 ( 0.226 0.000 0.143) 0.268 1.288 ( 1.564 0.000 -3.093) 3.466 1.290 ( 3.168 0.000 -0.664) 3.237 1.509 ( -1.272 0.000 -2.636) 2.927 1.518 ( 0.054 0.000 4.762) 4.763 1.581 ( 0.782 0.000 -1.103) 1.352 1.664 ( 1.879 0.000 6.049) 6.334 1.700 ( 4.101 0.000 0.311) 4.113 1.739 ( 3.321 0.000 -2.534) 4.177 1.795 ( 6.279 0.000 -4.508) 7.730 1.812 ( -4.566 0.000 -0.032) 4.566 1.850 ( -3.281 0.000 -6.516) 7.296 1.871 ( -0.293 0.000 3.734) 3.745 1.892 ( -3.153 0.000 4.203) 5.254 1.926 ( -5.492 0.000 -7.340) 9.167 1.968 ( 0.483 0.000 -1.237) 1.328 2.027 ( -4.641 0.000 1.254) 4.808 2.091 ( -3.502 0.000 -2.982) 4.600 2.095 ( 4.667 0.000 -2.226) 5.171 2.189 ( -3.087 0.000 0.598) 3.144 2.205 ( -2.438 0.000 -2.132) 3.238 2.260 ( -1.784 0.000 -0.301) 1.809 2.307 ( -1.095 0.000 1.494) 1.853 2.385 ( -0.479 0.000 -1.255) 1.343 2.390 ( 1.576 0.000 1.931) 2.492 2.419 ( 0.320 0.000 5.100) 5.110 2.519 ( 0.400 0.000 -0.532) 0.666 2.520 ( 0.495 0.000 1.601) 1.676 2.578 ( 2.181 0.000 -2.506) 3.322 2.597 ( -5.012 0.000 0.596) 5.047 2.740 ( 2.456 0.000 -3.257) 4.079 2.752 ( -0.966 0.000 1.621) 1.887 2.860 ( -0.732 0.000 0.363) 0.817 2.871 ( -3.903 0.000 1.061) 4.044 2.900 ( 3.174 0.000 4.016) 5.119 2.928 ( 1.501 0.000 -1.669) 2.245 2.929 ( 0.095 0.000 -2.711) 2.712 2.990 ( 0.138 0.000 1.202) 1.209 2.997 ( 2.200 0.000 0.492) 2.254 3.062 ( 0.926 0.000 -0.500) 1.052 3.071 ( 0.890 0.000 -1.653) 1.877 3.114 ( 1.022 0.000 1.769) 2.044 3.160 ( -2.910 0.000 -1.251) 3.168 3.174 ( 0.647 0.000 0.334) 0.729 3.202 ( -1.140 0.000 -1.512) 1.894 3.232 ( -2.556 0.000 -1.116) 2.789 3.233 ( -1.157 0.000 0.502) 1.261 3.275 ( -0.236 0.000 -0.555) 0.604 3.338 ( -0.249 0.000 1.598) 1.618 3.362 ( 0.000 0.000 -1.068) 1.068 3.434 ( -1.941 0.000 0.313) 1.966 3.496 ( 3.397 0.000 -5.867) 6.779 3.541 ( 1.530 0.000 -1.465) 2.119 3.576 ( -1.081 0.000 2.759) 2.963 3.602 ( 0.152 0.000 1.566) 1.574 3.603 ( 0.633 0.000 0.430) 0.765 3.613 ( -1.000 0.000 2.633) 2.817 3.641 ( 5.352 0.000 -4.042) 6.707 3.674 ( 0.988 0.000 1.096) 1.476 3.692 ( 0.851 0.000 3.392) 3.497 3.754 ( 4.660 0.000 0.582) 4.696 3.759 ( -0.298 0.000 1.414) 1.445 3.786 ( -4.358 0.000 0.559) 4.393 3.844 ( -1.697 0.000 1.128) 2.038 3.901 ( -1.941 0.000 0.286) 1.962 3.914 ( 0.705 0.000 -0.095) 0.711 3.970 ( 1.602 0.000 1.539) 2.222 4.002 ( 2.497 0.000 0.577) 2.563 4.023 ( 2.750 0.000 -1.887) 3.335 4.065 ( 0.310 0.000 1.756) 1.784 4.085 ( -0.746 0.000 0.199) 0.772 4.112 ( -1.082 0.000 0.408) 1.156 4.114 ( -4.579 0.000 1.096) 4.708 4.213 ( 1.352 0.000 -0.382) 1.405 4.233 ( -0.109 0.000 -0.372) 0.388 4.263 ( 0.553 0.000 0.336) 0.647 4.312 ( -0.723 0.000 -0.493) 0.875 4.318 ( 0.237 0.000 0.716) 0.754 4.333 ( -0.483 0.000 -0.050) 0.486 4.392 ( -1.532 0.000 -0.964) 1.810 4.406 ( 0.881 0.000 0.217) 0.908 4.430 ( 1.850 0.000 -2.508) 3.117 4.458 ( -1.946 0.000 -1.250) 2.313 4.526 ( -0.457 0.000 -1.343) 1.418 4.546 ( -3.519 0.000 1.625) 3.876 4.593 ( -1.404 0.000 0.888) 1.661 4.665 ( -0.513 0.000 1.490) 1.576 4.868 ( 4.137 0.000 -0.872) 4.228 4.869 ( -0.071 0.000 0.022) 0.074 4.973 ( 1.654 0.000 -4.061) 4.385 4.982 ( 1.028 0.000 -0.393) 1.101 4.999 ( -1.886 0.000 2.954) 3.504 5.063 ( -0.166 0.000 0.475) 0.503 5.070 ( -1.803 0.000 3.947) 4.340 5.132 ( 0.937 0.000 -0.546) 1.084 5.287 ( 0.512 0.000 -0.137) 0.530 5.320 ( -0.148 0.000 1.050) 1.060 5.361 ( -0.684 0.000 -1.325) 1.491 5.406 ( 0.087 0.000 0.278) 0.291 5.524 ( 0.519 0.000 -1.236) 1.340 5.557 ( 1.573 0.000 0.567) 1.672 5.683 ( 0.084 0.000 1.400) 1.403 5.693 ( -0.582 0.000 0.196) 0.614 5.717 ( -2.261 0.000 -1.059) 2.497 5.788 ( -0.739 0.000 -0.419) 0.850 5.932 ( 0.647 0.000 0.428) 0.776 5.988 ( -0.099 0.000 -1.200) 1.204 6.071 ( 0.452 0.000 -0.157) 0.479 6.085 ( -0.307 0.000 0.187) 0.360 6.211 ( 0.787 0.000 0.624) 1.005 6.293 ( 0.255 0.000 -0.457) 0.524 6.877 ( 0.045 0.000 0.179) 0.185 6.880 ( 0.296 0.000 0.058) 0.302 6.904 ( 0.031 0.000 -0.059) 0.067 6.911 ( 0.801 0.000 -0.275) 0.847 6.948 ( -0.866 0.000 -0.024) 0.866 6.955 ( -0.071 0.000 -0.205) 0.217 7.482 ( 0.113 0.000 0.038) 0.120 7.505 ( -0.347 0.000 0.048) 0.350 ======================= Grid point 71 (41/44) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 1.294 0.000) 1.294 1.115 ( 0.000 0.289 0.000) 0.289 1.209 ( -0.000 4.638 0.001) 4.638 1.303 ( 0.000 -3.641 0.000) 3.641 1.407 ( -0.000 0.824 0.000) 0.824 1.429 ( -0.000 1.025 -0.000) 1.025 1.475 ( 0.000 -3.550 -0.000) 3.550 1.489 ( -0.000 -2.849 0.000) 2.849 1.522 ( 0.000 0.220 0.000) 0.220 1.620 ( -0.000 -6.354 -0.000) 6.354 1.799 ( 0.000 6.799 0.000) 6.799 1.859 ( -0.000 5.934 0.000) 5.934 1.955 ( -0.000 6.423 0.000) 6.423 2.003 ( -0.004 -1.028 -0.003) 1.029 2.004 ( 0.003 2.741 0.003) 2.741 2.032 ( 0.000 3.427 0.000) 3.427 2.109 ( 0.000 -2.653 0.000) 2.653 2.144 ( -0.000 -4.110 0.000) 4.110 2.189 ( 0.000 0.287 0.000) 0.287 2.238 ( -0.000 9.062 -0.000) 9.062 2.284 ( -0.000 -3.674 0.000) 3.674 2.351 ( 0.000 3.787 -0.000) 3.787 2.390 ( 0.000 -3.219 0.000) 3.219 2.417 ( -0.001 -2.087 0.001) 2.087 2.474 ( 0.000 -6.400 -0.000) 6.400 2.493 ( -0.000 -6.652 0.001) 6.652 2.536 ( -0.000 5.753 -0.001) 5.753 2.556 ( 0.000 4.467 0.004) 4.467 2.571 ( 0.000 2.320 -0.002) 2.320 2.676 ( -0.000 4.617 0.000) 4.617 2.712 ( 0.000 -8.791 -0.000) 8.791 2.734 ( -0.000 1.361 -0.000) 1.361 2.787 ( -0.015 0.744 -0.024) 0.745 2.788 ( 0.015 -1.535 0.024) 1.536 2.820 ( 0.000 2.314 0.000) 2.314 2.833 ( -0.000 -4.001 0.000) 4.001 2.912 ( -0.000 -0.252 0.000) 0.252 2.956 ( 0.000 2.576 0.000) 2.576 3.026 ( 0.000 5.358 -0.000) 5.358 3.035 ( -0.000 -3.784 0.001) 3.784 3.037 ( -0.001 -4.578 -0.001) 4.578 3.039 ( 0.001 -1.058 0.001) 1.058 3.084 ( 0.000 -0.830 0.000) 0.830 3.178 ( -0.000 -0.427 -0.000) 0.427 3.192 ( 0.000 -0.609 0.001) 0.609 3.198 ( -0.000 -1.000 -0.000) 1.000 3.258 ( -0.000 3.279 0.000) 3.279 3.268 ( 0.000 0.568 0.000) 0.568 3.281 ( 0.000 3.197 0.000) 3.197 3.329 ( 0.000 -0.778 0.000) 0.778 3.359 ( -0.000 -1.596 0.000) 1.596 3.387 ( 0.000 -5.188 0.000) 5.188 3.418 ( -0.000 4.109 0.000) 4.109 3.430 ( -0.000 1.004 0.000) 1.004 3.464 ( 0.000 4.209 0.000) 4.209 3.493 ( -0.048 -2.322 -0.015) 2.323 3.493 ( 0.048 -0.895 0.015) 0.896 3.534 ( -0.000 -3.937 0.001) 3.937 3.639 ( 0.000 5.382 0.000) 5.382 3.674 ( -0.000 2.613 0.000) 2.613 3.698 ( -0.001 5.073 -0.000) 5.073 3.700 ( 0.000 -0.645 0.000) 0.645 3.730 ( -0.000 -3.206 0.000) 3.206 3.760 ( 0.000 -0.246 0.000) 0.246 3.871 ( -0.000 -0.198 0.000) 0.198 3.898 ( 0.000 3.305 0.000) 3.305 3.960 ( 0.000 0.470 0.000) 0.470 4.024 ( 0.000 1.777 0.000) 1.777 4.030 ( -0.000 1.396 0.000) 1.396 4.067 ( 0.001 4.006 -0.001) 4.006 4.076 ( -0.001 -2.308 0.001) 2.308 4.120 ( 0.000 0.919 -0.000) 0.919 4.147 ( 0.000 2.793 0.001) 2.793 4.160 ( -0.001 1.730 -0.000) 1.730 4.225 ( -0.000 8.759 0.000) 8.759 4.277 ( 0.000 0.988 0.000) 0.988 4.342 ( 0.000 2.184 0.000) 2.184 4.368 ( 0.000 -1.878 0.000) 1.878 4.386 ( -0.000 -2.278 0.000) 2.278 4.394 ( 0.000 -0.251 0.000) 0.251 4.425 ( -0.000 -0.909 0.000) 0.909 4.438 ( 0.000 -4.214 0.000) 4.214 4.491 ( -0.000 -0.335 0.000) 0.335 4.514 ( 0.000 5.537 0.000) 5.537 4.524 ( 0.000 1.921 0.000) 1.921 4.535 ( -0.000 -2.861 -0.000) 2.861 4.572 ( -0.000 -1.234 0.000) 1.234 4.658 ( -0.000 -6.464 0.000) 6.464 4.753 ( -0.000 -0.412 0.000) 0.412 4.807 ( -0.000 -6.021 0.000) 6.021 4.900 ( -0.000 0.406 0.000) 0.406 4.929 ( 0.000 -1.477 0.000) 1.477 4.979 ( -0.000 3.217 0.000) 3.217 5.033 ( -0.000 -1.882 0.000) 1.882 5.055 ( -0.000 3.369 0.000) 3.369 5.130 ( -0.000 -3.697 0.000) 3.697 5.299 ( -0.000 4.520 0.000) 4.520 5.354 ( 0.000 -1.175 0.000) 1.175 5.380 ( 0.000 0.374 0.000) 0.374 5.398 ( -0.000 -1.167 0.000) 1.167 5.476 ( 0.000 0.438 0.000) 0.438 5.496 ( 0.000 -1.174 0.000) 1.174 5.698 ( -0.000 0.936 0.000) 0.936 5.705 ( 0.000 0.128 0.000) 0.128 5.823 ( -0.000 0.457 0.000) 0.457 5.832 ( 0.000 -0.770 0.000) 0.770 5.923 ( 0.000 3.791 0.000) 3.791 6.010 ( -0.000 -1.867 0.000) 1.867 6.058 ( 0.000 -4.081 0.000) 4.081 6.064 ( -0.000 -1.703 0.000) 1.703 6.166 ( -0.000 2.593 0.000) 2.593 6.244 ( 0.000 -4.971 0.000) 4.971 6.879 ( -0.000 0.791 0.000) 0.791 6.881 ( 0.000 0.852 0.000) 0.852 6.913 ( -0.000 1.021 0.000) 1.021 6.929 ( -0.000 -0.242 0.000) 0.242 6.960 ( 0.000 7.189 0.000) 7.189 7.036 ( 0.000 0.842 0.000) 0.842 7.427 ( -0.000 -2.959 0.000) 2.959 7.463 ( -0.000 -5.401 0.000) 5.401 ======================= Grid point 73 (42/44) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.623 0.977 0.632) 1.320 1.112 ( 1.021 0.346 -0.510) 1.193 1.215 ( 0.659 4.412 -2.784) 5.259 1.297 ( 0.465 -0.886 -4.537) 4.646 1.401 ( -0.747 -2.303 -2.121) 3.218 1.461 ( 0.458 -2.106 2.162) 3.053 1.475 ( 1.197 -1.744 -0.743) 2.242 1.512 ( 3.346 -3.267 1.562) 4.931 1.554 ( 3.670 3.483 1.215) 5.203 1.660 ( 3.229 -5.301 0.911) 6.274 1.814 ( 1.196 5.515 -0.616) 5.676 1.837 ( -0.894 7.355 -2.663) 7.874 1.926 ( -2.885 5.155 0.668) 5.945 1.988 ( 0.278 1.057 -1.110) 1.557 2.021 ( -0.200 3.335 -2.827) 4.376 2.046 ( 1.042 -0.914 -1.083) 1.759 2.063 ( -3.260 -1.314 -2.679) 4.419 2.139 ( -1.115 -1.206 -2.030) 2.611 2.164 ( -1.787 -1.078 -1.375) 2.499 2.230 ( -3.949 -0.179 1.134) 4.113 2.300 ( 1.851 -0.965 -1.996) 2.888 2.328 ( -3.825 -0.294 -4.190) 5.681 2.342 ( -1.176 1.294 1.547) 2.335 2.411 ( -1.671 -0.634 -1.377) 2.256 2.435 ( -2.943 -4.051 1.882) 5.349 2.456 ( -3.155 -2.747 -0.769) 4.254 2.494 ( -4.016 2.332 -0.082) 4.645 2.518 ( -5.276 -0.988 -0.821) 5.430 2.574 ( 0.357 5.491 8.021) 9.727 2.664 ( -3.361 0.900 -9.195) 9.832 2.695 ( -2.452 3.762 -0.460) 4.514 2.735 ( 1.012 -3.169 -2.516) 4.171 2.742 ( 3.354 1.966 1.508) 4.170 2.806 ( 0.535 0.530 3.396) 3.479 2.833 ( -0.207 -1.642 0.697) 1.796 2.853 ( 1.533 -3.600 0.160) 3.916 2.901 ( 0.986 0.203 -0.544) 1.144 2.955 ( -2.031 -1.863 -3.000) 4.074 2.990 ( -2.075 2.831 0.821) 3.605 3.019 ( 1.342 2.065 0.014) 2.463 3.053 ( 0.934 -5.880 -1.495) 6.139 3.066 ( -0.234 5.085 0.744) 5.144 3.078 ( 1.417 -4.373 1.251) 4.764 3.174 ( -1.847 1.999 -3.031) 4.073 3.188 ( -1.369 -0.237 2.097) 2.515 3.215 ( 0.584 -1.617 -4.646) 4.953 3.250 ( 0.873 2.003 2.175) 3.083 3.266 ( -0.735 -0.401 3.670) 3.765 3.307 ( 1.131 -1.856 0.358) 2.203 3.315 ( 0.682 -1.852 -2.718) 3.359 3.363 ( 0.319 1.703 0.883) 1.944 3.424 ( 1.366 -0.530 0.062) 1.467 3.435 ( 1.299 -1.483 2.357) 3.073 3.452 ( 0.805 1.031 -0.693) 1.480 3.483 ( 3.449 2.819 3.634) 5.749 3.514 ( 1.804 -0.741 -0.020) 1.950 3.538 ( 1.854 -0.302 1.726) 2.550 3.547 ( 2.945 -1.109 1.216) 3.374 3.602 ( -1.856 3.447 -2.699) 4.755 3.675 ( -1.648 -2.531 -4.147) 5.130 3.684 ( 0.614 2.308 1.036) 2.604 3.720 ( 1.389 -0.652 1.296) 2.008 3.742 ( 2.053 3.434 1.187) 4.173 3.806 ( 2.341 -1.346 2.277) 3.532 3.841 ( -2.544 7.038 2.081) 7.768 3.907 ( -1.677 1.168 0.968) 2.261 3.951 ( 2.386 -2.154 3.706) 4.905 3.993 ( -2.577 -3.159 -1.041) 4.208 4.032 ( -0.610 3.569 0.658) 3.680 4.056 ( -0.241 2.556 -0.120) 2.570 4.094 ( -1.656 3.085 -0.510) 3.539 4.105 ( -0.170 -2.520 -0.090) 2.528 4.135 ( -1.059 3.874 -0.254) 4.024 4.147 ( 0.832 2.552 0.043) 2.684 4.229 ( 0.285 5.998 0.071) 6.005 4.270 ( -0.790 0.757 -0.283) 1.130 4.317 ( -1.945 0.748 1.477) 2.555 4.360 ( -0.746 -0.827 -1.801) 2.117 4.370 ( -1.854 0.490 -0.564) 1.999 4.378 ( -1.898 -1.083 0.747) 2.309 4.405 ( -0.632 -0.240 -0.527) 0.857 4.446 ( -0.307 -2.250 -0.011) 2.271 4.483 ( -0.969 -0.450 -2.461) 2.683 4.505 ( -0.604 2.606 0.792) 2.790 4.540 ( 1.231 1.310 1.611) 2.414 4.559 ( 2.399 -1.839 -0.275) 3.035 4.601 ( 1.713 -2.646 2.750) 4.183 4.644 ( -1.169 -5.506 0.252) 5.634 4.742 ( -0.709 -0.239 -3.140) 3.227 4.791 ( -0.750 -5.439 -1.776) 5.770 4.919 ( 1.032 0.583 -0.313) 1.226 4.936 ( 0.892 -0.618 -0.190) 1.102 4.998 ( 0.969 2.076 3.380) 4.084 5.032 ( 0.066 0.054 0.169) 0.189 5.068 ( 1.290 0.375 2.061) 2.461 5.114 ( -1.052 -3.277 1.311) 3.683 5.312 ( 1.048 4.117 0.781) 4.319 5.355 ( 0.064 -0.435 1.579) 1.639 5.379 ( -0.111 0.172 -0.209) 0.292 5.400 ( 0.074 -0.859 -0.795) 1.173 5.480 ( 0.548 0.235 -0.531) 0.799 5.497 ( 0.149 -1.222 -1.269) 1.768 5.696 ( -0.216 0.617 0.300) 0.720 5.705 ( -0.025 0.076 0.749) 0.754 5.815 ( -0.967 0.205 -0.565) 1.139 5.824 ( -0.914 -0.794 -0.701) 1.399 5.926 ( 0.368 2.878 -0.054) 2.902 5.991 ( -1.621 -3.231 0.445) 3.642 6.052 ( 0.852 0.801 -0.221) 1.190 6.087 ( 0.884 -2.627 -1.761) 3.284 6.176 ( 1.067 2.478 0.380) 2.725 6.244 ( 0.168 -3.998 0.056) 4.002 6.877 ( -0.052 0.946 0.125) 0.955 6.886 ( 0.329 0.269 0.151) 0.451 6.915 ( 0.216 1.197 -0.024) 1.216 6.932 ( 0.322 -0.358 -0.149) 0.504 6.961 ( 0.129 6.942 -0.231) 6.947 7.029 ( -0.644 1.239 -0.503) 1.484 7.424 ( -0.208 -3.204 0.106) 3.213 7.458 ( -0.488 -5.432 0.130) 5.455 ======================= Grid point 74 (43/44) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.024 1.809 0.202) 2.088 1.117 ( -0.388 -0.685 -0.119) 0.796 1.248 ( 2.705 4.084 -4.590) 6.713 1.334 ( 1.893 5.760 0.006) 6.063 1.377 ( 0.049 -8.556 -6.189) 10.560 1.460 ( 1.203 -6.207 4.970) 8.042 1.555 ( 4.634 1.890 -0.583) 5.038 1.602 ( 5.255 -1.599 4.242) 6.941 1.648 ( 4.623 2.499 -0.222) 5.260 1.710 ( 1.055 -2.474 -2.417) 3.616 1.812 ( 0.415 9.795 -1.025) 9.857 1.859 ( -2.874 3.408 0.128) 4.460 1.873 ( 1.095 2.211 -1.864) 3.093 1.972 ( -2.441 -2.622 0.845) 3.681 1.993 ( -2.819 2.017 -4.344) 5.558 2.020 ( 0.852 1.017 -4.075) 4.286 2.060 ( -0.653 -1.421 -3.714) 4.030 2.071 ( -5.303 3.507 -5.165) 8.191 2.130 ( -1.708 0.255 -4.364) 4.693 2.146 ( -2.972 -1.381 2.869) 4.355 2.223 ( -4.546 -1.979 -4.561) 6.737 2.279 ( -2.281 -2.381 0.399) 3.322 2.310 ( -6.054 1.120 -2.558) 6.667 2.361 ( -3.645 -3.522 0.265) 5.075 2.367 ( -2.941 0.969 2.584) 4.033 2.399 ( -2.533 0.300 0.821) 2.680 2.401 ( -1.987 -0.208 1.440) 2.462 2.417 ( -2.197 -2.254 3.781) 4.919 2.554 ( -1.506 3.326 -0.199) 3.656 2.620 ( -0.741 -1.407 -1.355) 2.089 2.691 ( 1.245 1.788 -3.941) 4.503 2.731 ( -2.633 0.270 -0.392) 2.676 2.794 ( 1.306 1.862 -0.959) 2.468 2.830 ( 1.213 -1.360 1.256) 2.213 2.853 ( 1.874 2.608 6.559) 7.303 2.891 ( 2.674 0.003 -2.070) 3.382 2.911 ( -0.632 -0.866 -2.442) 2.667 2.956 ( 2.221 -3.492 2.930) 5.071 2.978 ( 1.930 6.736 -1.224) 7.113 3.032 ( -0.733 0.250 0.609) 0.986 3.054 ( 0.369 0.562 -0.501) 0.839 3.089 ( 0.875 1.378 0.792) 1.814 3.108 ( -1.307 0.839 -3.116) 3.482 3.117 ( -0.003 -1.396 -1.028) 1.733 3.173 ( -0.469 -3.853 2.091) 4.409 3.178 ( -2.280 -2.458 -3.396) 4.772 3.246 ( -0.838 0.411 0.134) 0.943 3.274 ( -0.408 0.117 0.883) 0.980 3.306 ( 0.135 2.396 -0.621) 2.479 3.344 ( 0.668 -3.228 -1.125) 3.483 3.373 ( 0.386 -0.819 1.955) 2.155 3.433 ( 0.166 3.957 -0.548) 3.999 3.448 ( -0.390 -4.680 0.646) 4.740 3.490 ( 2.613 -1.731 -2.496) 4.006 3.523 ( 0.141 0.300 0.572) 0.661 3.538 ( 2.024 0.215 1.760) 2.691 3.588 ( 2.198 1.626 0.861) 2.866 3.615 ( 2.558 1.358 -0.481) 2.936 3.625 ( 3.246 -0.799 1.482) 3.657 3.669 ( 0.051 -1.521 2.096) 2.590 3.677 ( -0.656 2.657 0.116) 2.740 3.719 ( -1.221 1.348 2.984) 3.495 3.790 ( 1.606 2.789 1.428) 3.521 3.797 ( 0.548 -0.767 2.195) 2.389 3.847 ( 0.519 0.222 0.108) 0.575 3.860 ( -2.994 -1.780 2.017) 4.025 3.965 ( -1.530 1.754 2.008) 3.074 3.977 ( 1.662 0.194 1.760) 2.429 4.031 ( 0.420 -0.278 2.090) 2.150 4.044 ( -0.725 3.523 -1.627) 3.948 4.070 ( -0.689 2.495 -1.344) 2.916 4.094 ( 0.157 -2.693 1.892) 3.294 4.119 ( -0.511 7.303 -1.080) 7.400 4.183 ( 1.198 0.559 -1.950) 2.356 4.233 ( 0.273 1.272 -1.426) 1.930 4.256 ( -0.285 1.433 1.154) 1.862 4.272 ( -2.400 1.055 1.699) 3.124 4.320 ( -2.475 -0.127 0.760) 2.592 4.326 ( -1.847 0.444 -1.146) 2.219 4.352 ( -0.357 -1.023 -2.344) 2.582 4.404 ( 0.116 1.325 -1.246) 1.823 4.428 ( -1.081 -0.109 -1.296) 1.691 4.462 ( -0.783 -1.187 -0.238) 1.442 4.488 ( -0.989 1.053 0.432) 1.508 4.548 ( -0.759 -0.004 2.391) 2.509 4.586 ( -1.283 -0.357 1.157) 1.764 4.616 ( -0.826 -2.137 -0.274) 2.308 4.631 ( 0.789 -3.977 2.196) 4.611 4.747 ( 1.676 -1.898 -3.525) 4.340 4.799 ( 1.744 -5.368 -3.427) 6.603 4.916 ( -1.087 1.268 1.527) 2.263 4.967 ( 1.264 -2.009 -0.175) 2.380 5.003 ( 0.115 1.431 3.304) 3.603 5.034 ( -0.167 -1.885 2.021) 2.768 5.091 ( 0.643 0.372 1.577) 1.744 5.111 ( 0.728 -0.850 -0.200) 1.137 5.334 ( 1.104 3.568 0.865) 3.834 5.351 ( -0.578 1.622 1.464) 2.260 5.378 ( 0.135 -0.858 0.597) 1.054 5.395 ( -0.540 -0.480 -1.327) 1.511 5.504 ( 1.367 -0.417 -0.668) 1.577 5.507 ( 1.462 -0.551 -0.946) 1.826 5.689 ( -0.490 0.413 0.672) 0.928 5.700 ( -0.640 -0.478 0.913) 1.213 5.778 ( -2.512 0.297 -0.974) 2.711 5.794 ( -1.811 -1.228 -1.122) 2.459 5.939 ( 0.830 1.831 0.454) 2.061 5.971 ( -0.240 -1.557 -0.225) 1.591 6.076 ( 1.149 1.297 -0.600) 1.834 6.096 ( 0.142 -0.690 -0.780) 1.051 6.205 ( 1.557 2.174 0.489) 2.719 6.255 ( 0.931 -2.578 -0.390) 2.768 6.879 ( 0.277 0.811 0.121) 0.865 6.893 ( 0.269 -0.269 0.191) 0.426 6.922 ( 0.375 1.298 0.037) 1.351 6.939 ( 0.327 -0.641 -0.156) 0.736 6.965 ( 0.262 6.437 -0.424) 6.457 7.012 ( -0.979 2.498 -0.559) 2.741 7.420 ( -0.195 -3.791 0.138) 3.799 7.445 ( -0.662 -5.459 0.163) 5.501 ======================= Grid point 75 (44/44) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.583 2.254 0.039) 2.328 1.112 ( -0.094 -1.402 -0.074) 1.407 1.297 ( 1.569 1.704 -2.147) 3.158 1.327 ( -0.769 0.441 -1.984) 2.173 1.441 ( 3.615 -0.050 0.027) 3.615 1.513 ( 3.157 -4.773 4.850) 7.501 1.621 ( 1.566 0.495 -0.866) 1.856 1.664 ( -0.956 -1.638 1.992) 2.751 1.734 ( 2.868 3.239 2.206) 4.856 1.743 ( 3.251 3.930 1.554) 5.331 1.784 ( -2.173 -1.561 -2.371) 3.575 1.821 ( -0.203 -0.109 -4.458) 4.464 1.862 ( -1.690 2.766 -5.296) 6.209 1.920 ( -3.977 0.560 -2.555) 4.760 1.954 ( -2.418 0.458 1.517) 2.890 1.972 ( 0.483 1.693 -2.096) 2.738 2.006 ( -1.583 4.880 -0.047) 5.130 2.036 ( -0.581 3.418 -1.106) 3.639 2.109 ( -2.009 0.282 -0.302) 2.051 2.139 ( 2.181 3.408 -2.830) 4.937 2.181 ( -0.242 -2.546 -1.925) 3.201 2.189 ( -3.175 2.296 -1.848) 4.332 2.234 ( -1.835 -4.779 1.909) 5.463 2.271 ( -3.951 -1.662 1.440) 4.522 2.351 ( 0.508 -1.243 1.200) 1.801 2.378 ( -0.243 -2.573 2.578) 3.651 2.382 ( -0.210 -1.506 -1.115) 1.886 2.395 ( -0.491 -2.929 2.653) 3.983 2.547 ( 0.223 0.279 -1.177) 1.230 2.586 ( -2.291 -2.167 -0.208) 3.160 2.683 ( -1.102 4.754 0.431) 4.899 2.701 ( -0.170 -1.441 -1.364) 1.992 2.836 ( 1.753 1.195 -1.698) 2.718 2.861 ( 0.564 4.262 1.534) 4.565 2.870 ( 2.354 1.076 -1.051) 2.794 2.919 ( 1.604 0.901 0.872) 2.036 2.946 ( 1.639 -1.328 -0.927) 2.304 2.960 ( -3.241 3.333 1.422) 4.861 2.982 ( -0.785 -3.130 3.889) 5.054 3.037 ( -1.558 -5.698 -2.127) 6.278 3.054 ( 1.955 5.395 -2.883) 6.422 3.079 ( 0.512 3.111 -0.975) 3.300 3.109 ( 1.451 0.561 0.396) 1.605 3.119 ( -1.527 -0.630 3.085) 3.499 3.148 ( -0.880 -0.523 -1.225) 1.597 3.198 ( 2.066 0.762 -2.060) 3.016 3.223 ( -0.935 1.083 -0.630) 1.563 3.252 ( -1.252 1.661 0.758) 2.214 3.292 ( -0.908 -0.435 0.549) 1.146 3.347 ( -1.174 -0.942 1.181) 1.913 3.376 ( 0.982 -7.355 -1.665) 7.605 3.446 ( 1.090 0.989 0.832) 1.691 3.465 ( 1.730 -2.797 -0.817) 3.389 3.503 ( -1.118 1.817 -0.966) 2.342 3.527 ( 0.671 1.025 0.617) 1.372 3.582 ( -1.800 0.968 0.264) 2.061 3.599 ( -0.618 1.215 -0.271) 1.390 3.617 ( 3.156 -2.616 -0.852) 4.187 3.664 ( 0.359 -1.647 2.885) 3.341 3.676 ( -0.008 -0.687 1.516) 1.664 3.702 ( 0.324 -0.385 -0.276) 0.574 3.735 ( 2.009 -0.196 0.519) 2.084 3.762 ( -0.579 -0.688 0.901) 1.273 3.801 ( -1.180 -3.060 0.504) 3.318 3.846 ( -0.491 4.377 0.447) 4.427 3.872 ( 2.525 1.449 1.000) 3.078 3.948 ( 0.187 -0.005 0.656) 0.682 3.981 ( -2.322 -1.230 1.179) 2.880 4.029 ( -0.651 0.923 -0.687) 1.322 4.044 ( 1.452 2.329 1.737) 3.248 4.062 ( -0.012 0.545 -1.102) 1.229 4.102 ( 0.006 6.440 -1.286) 6.567 4.123 ( 1.011 1.395 2.271) 2.850 4.176 ( -1.355 3.304 -1.350) 3.818 4.217 ( -1.476 -0.241 0.256) 1.518 4.251 ( 0.023 1.240 -0.006) 1.240 4.258 ( 0.051 -1.896 -0.333) 1.926 4.294 ( 0.375 1.089 0.389) 1.215 4.309 ( -0.385 0.164 -0.265) 0.495 4.359 ( 1.149 1.492 -1.700) 2.537 4.395 ( -0.793 -0.670 -0.430) 1.124 4.418 ( -0.378 0.403 -1.623) 1.714 4.453 ( 0.473 -3.200 0.005) 3.235 4.480 ( 0.043 -2.137 0.732) 2.259 4.517 ( -1.560 3.214 1.281) 3.796 4.536 ( -2.504 3.768 1.409) 4.739 4.592 ( -1.017 -0.350 -1.109) 1.545 4.645 ( 0.443 -3.969 1.043) 4.128 4.787 ( 1.414 -5.173 -1.662) 5.615 4.844 ( 2.091 -6.378 -3.264) 7.463 4.890 ( -1.118 1.294 2.591) 3.104 4.959 ( -1.285 -3.647 1.350) 4.096 5.015 ( 0.502 2.221 1.046) 2.506 5.047 ( 1.244 -0.854 -0.025) 1.509 5.091 ( -0.580 1.692 0.988) 2.044 5.124 ( 0.368 -1.132 -0.437) 1.268 5.337 ( -0.501 2.895 0.383) 2.963 5.356 ( 0.717 2.302 1.049) 2.630 5.379 ( -0.224 0.758 -0.355) 0.867 5.386 ( -0.049 -1.618 -0.557) 1.712 5.527 ( 0.954 0.572 -0.650) 1.289 5.546 ( 1.454 -0.988 0.279) 1.780 5.677 ( -0.624 -0.372 0.647) 0.972 5.680 ( -1.034 -0.779 0.312) 1.331 5.735 ( -1.148 1.427 -0.640) 1.940 5.764 ( -0.822 -1.615 -0.553) 1.895 5.955 ( 0.575 1.177 0.465) 1.390 5.970 ( -0.065 -0.774 -0.474) 0.910 6.092 ( 0.438 0.973 -0.437) 1.153 6.098 ( 0.070 0.692 0.118) 0.705 6.231 ( 0.735 1.980 0.256) 2.128 6.272 ( 0.534 -1.854 -0.333) 1.958 6.885 ( 0.218 0.583 0.054) 0.624 6.897 ( 0.107 -0.330 0.075) 0.355 6.928 ( 0.166 1.238 0.012) 1.249 6.943 ( 0.028 -0.619 -0.018) 0.620 6.972 ( 0.407 5.376 -0.351) 5.403 6.994 ( -0.627 4.094 -0.130) 4.143 7.417 ( -0.031 -4.337 0.062) 4.338 7.434 ( -0.346 -5.398 0.075) 5.409 =================== 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 3/15120 10.0 123.966 109.918 148.855 0.000 16.830 0.000 3/15120 20.0 23.064 19.245 26.233 0.000 3.398 0.000 3/15120 30.0 9.391 8.047 10.184 0.000 1.385 0.000 3/15120 40.0 5.356 4.686 5.709 0.000 0.780 0.000 3/15120 50.0 3.641 3.233 3.865 0.000 0.523 0.000 3/15120 60.0 2.740 2.460 2.910 0.000 0.389 0.000 3/15120 70.0 2.197 1.988 2.337 0.000 0.309 0.000 3/15120 80.0 1.836 1.672 1.957 0.000 0.257 0.000 3/15120 90.0 1.580 1.446 1.688 0.000 0.220 0.000 3/15120 100.0 1.389 1.276 1.486 0.000 0.192 0.000 3/15120 110.0 1.240 1.144 1.329 0.000 0.171 0.000 3/15120 120.0 1.121 1.037 1.203 0.000 0.154 0.000 3/15120 130.0 1.024 0.949 1.100 0.000 0.140 0.000 3/15120 140.0 0.943 0.876 1.013 0.000 0.129 0.000 3/15120 150.0 0.874 0.813 0.940 0.000 0.119 0.000 3/15120 160.0 0.815 0.759 0.877 0.000 0.111 0.000 3/15120 170.0 0.763 0.712 0.822 0.000 0.104 0.000 3/15120 180.0 0.718 0.671 0.774 0.000 0.098 0.000 3/15120 190.0 0.678 0.634 0.731 0.000 0.092 0.000 3/15120 200.0 0.643 0.602 0.693 0.000 0.087 0.000 3/15120 210.0 0.611 0.572 0.659 0.000 0.083 0.000 3/15120 220.0 0.582 0.545 0.628 0.000 0.079 0.000 3/15120 230.0 0.555 0.521 0.599 0.000 0.075 0.000 3/15120 240.0 0.531 0.499 0.574 0.000 0.072 0.000 3/15120 250.0 0.510 0.479 0.550 0.000 0.069 0.000 3/15120 260.0 0.489 0.460 0.528 0.000 0.066 0.000 3/15120 270.0 0.471 0.443 0.508 0.000 0.064 0.000 3/15120 280.0 0.454 0.427 0.490 0.000 0.061 0.000 3/15120 290.0 0.438 0.412 0.473 0.000 0.059 0.000 3/15120 300.0 0.423 0.398 0.457 0.000 0.057 0.000 3/15120 310.0 0.409 0.385 0.442 0.000 0.055 0.000 3/15120 320.0 0.396 0.373 0.428 0.000 0.054 0.000 3/15120 330.0 0.384 0.362 0.415 0.000 0.052 0.000 3/15120 340.0 0.372 0.351 0.402 0.000 0.050 0.000 3/15120 350.0 0.361 0.341 0.391 0.000 0.049 0.000 3/15120 360.0 0.351 0.331 0.380 0.000 0.047 0.000 3/15120 370.0 0.341 0.322 0.369 0.000 0.046 0.000 3/15120 380.0 0.332 0.314 0.359 0.000 0.045 0.000 3/15120 390.0 0.324 0.306 0.350 0.000 0.044 0.000 3/15120 400.0 0.316 0.298 0.341 0.000 0.043 0.000 3/15120 410.0 0.308 0.291 0.333 0.000 0.042 0.000 3/15120 420.0 0.300 0.284 0.325 0.000 0.041 0.000 3/15120 430.0 0.293 0.277 0.317 0.000 0.040 0.000 3/15120 440.0 0.287 0.271 0.310 0.000 0.039 0.000 3/15120 450.0 0.280 0.265 0.303 0.000 0.038 0.000 3/15120 460.0 0.274 0.259 0.297 0.000 0.037 0.000 3/15120 470.0 0.268 0.254 0.290 0.000 0.036 0.000 3/15120 480.0 0.263 0.249 0.284 0.000 0.035 0.000 3/15120 490.0 0.257 0.244 0.278 0.000 0.035 0.000 3/15120 500.0 0.252 0.239 0.273 0.000 0.034 0.000 3/15120 510.0 0.247 0.234 0.267 0.000 0.033 0.000 3/15120 520.0 0.242 0.230 0.262 0.000 0.033 0.000 3/15120 530.0 0.238 0.225 0.257 0.000 0.032 0.000 3/15120 540.0 0.233 0.221 0.252 0.000 0.031 0.000 3/15120 550.0 0.229 0.217 0.248 0.000 0.031 0.000 3/15120 560.0 0.225 0.213 0.243 0.000 0.030 0.000 3/15120 570.0 0.221 0.209 0.239 0.000 0.030 0.000 3/15120 580.0 0.217 0.206 0.235 0.000 0.029 0.000 3/15120 590.0 0.213 0.202 0.231 0.000 0.029 0.000 3/15120 600.0 0.210 0.199 0.227 0.000 0.028 0.000 3/15120 610.0 0.206 0.196 0.223 0.000 0.028 0.000 3/15120 620.0 0.203 0.193 0.220 0.000 0.027 0.000 3/15120 630.0 0.200 0.190 0.216 0.000 0.027 0.000 3/15120 640.0 0.197 0.187 0.213 0.000 0.027 0.000 3/15120 650.0 0.194 0.184 0.210 0.000 0.026 0.000 3/15120 660.0 0.191 0.181 0.206 0.000 0.026 0.000 3/15120 670.0 0.188 0.178 0.203 0.000 0.025 0.000 3/15120 680.0 0.185 0.176 0.200 0.000 0.025 0.000 3/15120 690.0 0.182 0.173 0.197 0.000 0.025 0.000 3/15120 700.0 0.180 0.171 0.195 0.000 0.024 0.000 3/15120 710.0 0.177 0.168 0.192 0.000 0.024 0.000 3/15120 720.0 0.175 0.166 0.189 0.000 0.024 0.000 3/15120 730.0 0.172 0.164 0.187 0.000 0.023 0.000 3/15120 740.0 0.170 0.162 0.184 0.000 0.023 0.000 3/15120 750.0 0.168 0.159 0.182 0.000 0.023 0.000 3/15120 760.0 0.166 0.157 0.179 0.000 0.022 0.000 3/15120 770.0 0.163 0.155 0.177 0.000 0.022 0.000 3/15120 780.0 0.161 0.153 0.175 0.000 0.022 0.000 3/15120 790.0 0.159 0.151 0.172 0.000 0.021 0.000 3/15120 800.0 0.157 0.149 0.170 0.000 0.021 0.000 3/15120 810.0 0.155 0.148 0.168 0.000 0.021 0.000 3/15120 820.0 0.153 0.146 0.166 0.000 0.021 0.000 3/15120 830.0 0.152 0.144 0.164 0.000 0.020 0.000 3/15120 840.0 0.150 0.142 0.162 0.000 0.020 0.000 3/15120 850.0 0.148 0.141 0.160 0.000 0.020 0.000 3/15120 860.0 0.146 0.139 0.158 0.000 0.020 0.000 3/15120 870.0 0.145 0.137 0.157 0.000 0.020 0.000 3/15120 880.0 0.143 0.136 0.155 0.000 0.019 0.000 3/15120 890.0 0.141 0.134 0.153 0.000 0.019 0.000 3/15120 900.0 0.140 0.133 0.151 0.000 0.019 0.000 3/15120 910.0 0.138 0.131 0.150 0.000 0.019 0.000 3/15120 920.0 0.137 0.130 0.148 0.000 0.018 0.000 3/15120 930.0 0.135 0.129 0.146 0.000 0.018 0.000 3/15120 940.0 0.134 0.127 0.145 0.000 0.018 0.000 3/15120 950.0 0.132 0.126 0.143 0.000 0.018 0.000 3/15120 960.0 0.131 0.125 0.142 0.000 0.018 0.000 3/15120 970.0 0.130 0.123 0.140 0.000 0.017 0.000 3/15120 980.0 0.128 0.122 0.139 0.000 0.017 0.000 3/15120 990.0 0.127 0.121 0.138 0.000 0.017 0.000 3/15120 1000.0 0.126 0.120 0.136 0.000 0.017 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m736.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:08:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|