----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.107470490292984 -3.963413380000001 0.000000000000000 b 7.107470490292984 3.963413380000001 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): *1 K 0.23727464530079 0.23727464530079 0.97958359780094 39.098 2 K 0.76272535469921 0.76272535469921 0.02041640219906 39.098 *3 K 0.26708788271001 0.26708788271001 0.34751848070023 39.098 4 K 0.73291211728999 0.73291211728999 0.65248151929977 39.098 *5 Ho 0.26353398044788 0.73771911828315 0.68073918920748 164.930 *6 Ho 0.24108222608631 0.75891777391369 0.00000000000000 164.930 7 Ho 0.26228088171685 0.73646601955212 0.31926081079252 164.930 8 Ho 0.75891777391369 0.24108222608631 0.00000000000000 164.930 9 Ho 0.73771911828315 0.26353398044788 0.68073918920748 164.930 *10 Ho 0.25917738744359 0.25917738744359 0.67918937971397 164.930 11 Ho 0.73646601955212 0.26228088171685 0.31926081079252 164.930 12 Ho 0.74082261255641 0.74082261255641 0.32081062028603 164.930 *13 F 0.63437689797530 0.16459985185806 0.08530126572400 18.998 *14 F 0.85360665901679 0.38218394119309 0.23667591816009 18.998 *15 F 0.89565347090502 0.89565347090502 0.92617038414172 18.998 *16 F 0.67796480842251 0.32203519157749 0.50000000000000 18.998 *17 F 0.00247015711511 0.00247015711511 0.73351530995291 18.998 *18 F 0.34215724072881 0.00128362089483 0.73830803596236 18.998 19 F 0.32203519157749 0.67796480842251 0.50000000000000 18.998 20 F 0.65784275927119 0.99871637910517 0.26169196403764 18.998 *21 F 0.66856760527673 0.00400942480237 0.49870621985438 18.998 22 F 0.61781605880691 0.14639334098321 0.76332408183991 18.998 23 F 0.14639334098321 0.61781605880691 0.76332408183991 18.998 *24 F 0.38650230300960 0.38650230300960 0.61917504036633 18.998 *25 F 0.60515170649019 0.60515170649019 0.08682272302289 18.998 26 F 0.36562310202470 0.83540014814194 0.91469873427600 18.998 27 F 0.00400942480237 0.66856760527673 0.49870621985438 18.998 28 F 0.83540014814194 0.36562310202470 0.91469873427600 18.998 29 F 0.38218394119309 0.85360665901679 0.23667591816009 18.998 30 F 0.00128362089483 0.34215724072881 0.73830803596236 18.998 *31 F 0.39740891537753 0.39740891537753 0.25075794807636 18.998 32 F 0.99752984288489 0.99752984288489 0.26648469004709 18.998 33 F 0.99599057519763 0.33143239472327 0.50129378014562 18.998 34 F 0.60259108462247 0.60259108462247 0.74924205192364 18.998 35 F 0.61349769699040 0.61349769699040 0.38082495963367 18.998 36 F 0.99871637910517 0.65784275927119 0.26169196403764 18.998 37 F 0.16459985185806 0.63437689797530 0.08530126572400 18.998 38 F 0.10434652909498 0.10434652909498 0.07382961585828 18.998 39 F 0.33143239472327 0.99599057519763 0.50129378014562 18.998 40 F 0.39484829350981 0.39484829350981 0.91317727697711 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.214940980585968 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926826760000002 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): *1 K 0.23727464530079 0.00000000000000 0.97958359780094 39.098 > 1 2 K 0.76272535469921 0.00000000000000 0.02041640219906 39.098 > 2 *3 K 0.76708788271001 0.50000000000000 0.34751848070023 39.098 > 3 4 K 0.23291211728999 0.50000000000000 0.65248151929977 39.098 > 4 5 K 0.73727464530079 0.50000000000000 0.97958359780094 39.098 > 1 6 K 0.26272535469921 0.50000000000000 0.02041640219906 39.098 > 2 7 K 0.26708788271001 0.00000000000000 0.34751848070023 39.098 > 3 8 K 0.73291211728999 0.00000000000000 0.65248151929977 39.098 > 4 *9 Ho 0.00062654936551 0.73709256891763 0.68073918920748 164.930 > 5 *10 Ho 0.00000000000000 0.75891777391369 0.00000000000000 164.930 > 6 11 Ho 0.99937345063449 0.73709256891763 0.31926081079252 164.930 > 7 12 Ho 0.00000000000000 0.24108222608631 0.00000000000000 164.930 > 8 13 Ho 0.00062654936551 0.26290743108236 0.68073918920748 164.930 > 9 *14 Ho 0.25917738744359 0.00000000000000 0.67918937971397 164.930 > 10 15 Ho 0.99937345063449 0.26290743108236 0.31926081079252 164.930 > 11 16 Ho 0.74082261255641 0.00000000000000 0.32081062028603 164.930 > 12 17 Ho 0.50062654936551 0.23709256891763 0.68073918920748 164.930 > 5 18 Ho 0.50000000000000 0.25891777391369 0.00000000000000 164.930 > 6 19 Ho 0.49937345063449 0.23709256891763 0.31926081079252 164.930 > 7 20 Ho 0.50000000000000 0.74108222608631 0.00000000000000 164.930 > 8 21 Ho 0.50062654936551 0.76290743108237 0.68073918920748 164.930 > 9 22 Ho 0.75917738744359 0.50000000000000 0.67918937971397 164.930 > 10 23 Ho 0.49937345063449 0.76290743108237 0.31926081079252 164.930 > 11 24 Ho 0.24082261255641 0.50000000000000 0.32081062028603 164.930 > 12 *25 F 0.89948837491668 0.26511147694138 0.08530126572400 18.998 > 13 *26 F 0.11789530010494 0.26428864108815 0.23667591816009 18.998 > 14 *27 F 0.39565347090502 0.50000000000000 0.92617038414172 18.998 > 15 *28 F 0.00000000000000 0.32203519157749 0.50000000000000 18.998 > 16 *29 F 0.00247015711511 0.00000000000000 0.73351530995291 18.998 > 17 *30 F 0.17172043081182 0.82956319008301 0.73830803596236 18.998 > 18 31 F 0.00000000000000 0.67796480842251 0.50000000000000 18.998 > 19 32 F 0.82827956918818 0.17043680991699 0.26169196403764 18.998 > 20 *33 F 0.83628851503955 0.16772090976282 0.49870621985438 18.998 > 21 34 F 0.88210469989506 0.26428864108815 0.76332408183991 18.998 > 22 35 F 0.88210469989506 0.73571135891185 0.76332408183991 18.998 > 23 *36 F 0.88650230300960 0.50000000000000 0.61917504036633 18.998 > 24 *37 F 0.60515170649019 0.00000000000000 0.08682272302289 18.998 > 25 38 F 0.10051162508332 0.73488852305862 0.91469873427600 18.998 > 26 39 F 0.83628851503955 0.83227909023718 0.49870621985438 18.998 > 27 40 F 0.10051162508332 0.26511147694138 0.91469873427600 18.998 > 28 41 F 0.11789530010494 0.73571135891185 0.23667591816009 18.998 > 29 42 F 0.17172043081182 0.17043680991699 0.73830803596236 18.998 > 30 *43 F 0.89740891537753 0.50000000000000 0.25075794807636 18.998 > 31 44 F 0.99752984288489 0.00000000000000 0.26648469004709 18.998 > 32 45 F 0.16371148496045 0.16772090976282 0.50129378014562 18.998 > 33 46 F 0.10259108462247 0.50000000000000 0.74924205192364 18.998 > 34 47 F 0.11349769699040 0.50000000000000 0.38082495963367 18.998 > 35 48 F 0.82827956918818 0.82956319008301 0.26169196403764 18.998 > 36 49 F 0.89948837491668 0.73488852305862 0.08530126572400 18.998 > 37 50 F 0.60434652909498 0.50000000000000 0.07382961585828 18.998 > 38 51 F 0.16371148496045 0.83227909023718 0.50129378014562 18.998 > 39 52 F 0.39484829350981 0.00000000000000 0.91317727697711 18.998 > 40 53 F 0.39948837491668 0.76511147694138 0.08530126572400 18.998 > 13 54 F 0.61789530010494 0.76428864108815 0.23667591816009 18.998 > 14 55 F 0.89565347090502 0.00000000000000 0.92617038414172 18.998 > 15 56 F 0.50000000000000 0.82203519157749 0.50000000000000 18.998 > 16 57 F 0.50247015711511 0.50000000000000 0.73351530995291 18.998 > 17 58 F 0.67172043081182 0.32956319008301 0.73830803596236 18.998 > 18 59 F 0.50000000000000 0.17796480842251 0.50000000000000 18.998 > 19 60 F 0.32827956918818 0.67043680991699 0.26169196403764 18.998 > 20 61 F 0.33628851503955 0.66772090976282 0.49870621985438 18.998 > 21 62 F 0.38210469989506 0.76428864108815 0.76332408183991 18.998 > 22 63 F 0.38210469989506 0.23571135891185 0.76332408183991 18.998 > 23 64 F 0.38650230300960 0.00000000000000 0.61917504036633 18.998 > 24 65 F 0.10515170649019 0.50000000000000 0.08682272302289 18.998 > 25 66 F 0.60051162508332 0.23488852305862 0.91469873427600 18.998 > 26 67 F 0.33628851503955 0.33227909023718 0.49870621985438 18.998 > 27 68 F 0.60051162508332 0.76511147694138 0.91469873427600 18.998 > 28 69 F 0.61789530010494 0.23571135891185 0.23667591816009 18.998 > 29 70 F 0.67172043081182 0.67043680991699 0.73830803596236 18.998 > 30 71 F 0.39740891537753 0.00000000000000 0.25075794807636 18.998 > 31 72 F 0.49752984288489 0.50000000000000 0.26648469004709 18.998 > 32 73 F 0.66371148496045 0.66772090976282 0.50129378014562 18.998 > 33 74 F 0.60259108462247 0.00000000000000 0.74924205192364 18.998 > 34 75 F 0.61349769699040 0.00000000000000 0.38082495963367 18.998 > 35 76 F 0.32827956918818 0.32956319008301 0.26169196403764 18.998 > 36 77 F 0.39948837491668 0.23488852305862 0.08530126572400 18.998 > 37 78 F 0.10434652909498 0.00000000000000 0.07382961585828 18.998 > 38 79 F 0.66371148496045 0.33227909023718 0.50129378014562 18.998 > 39 80 F 0.89484829350981 0.50000000000000 0.91317727697711 18.998 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.214940980585968 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926826760000002 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): *1 K 0.23727464530079 0.00000000000000 0.97958359780094 39.098 > 1 2 K 0.76272535469921 0.00000000000000 0.02041640219906 39.098 > 2 *3 K 0.76708788271001 0.50000000000000 0.34751848070023 39.098 > 3 4 K 0.23291211728999 0.50000000000000 0.65248151929977 39.098 > 4 5 K 0.73727464530079 0.50000000000000 0.97958359780094 39.098 > 1 6 K 0.26272535469921 0.50000000000000 0.02041640219906 39.098 > 2 7 K 0.26708788271001 0.00000000000000 0.34751848070023 39.098 > 3 8 K 0.73291211728999 0.00000000000000 0.65248151929977 39.098 > 4 *9 Ho 0.00062654936551 0.73709256891763 0.68073918920748 164.930 > 5 *10 Ho 0.00000000000000 0.75891777391369 0.00000000000000 164.930 > 6 11 Ho 0.99937345063449 0.73709256891763 0.31926081079252 164.930 > 7 12 Ho 0.00000000000000 0.24108222608631 0.00000000000000 164.930 > 8 13 Ho 0.00062654936551 0.26290743108236 0.68073918920748 164.930 > 9 *14 Ho 0.25917738744359 0.00000000000000 0.67918937971397 164.930 > 10 15 Ho 0.99937345063449 0.26290743108236 0.31926081079252 164.930 > 11 16 Ho 0.74082261255641 0.00000000000000 0.32081062028603 164.930 > 12 17 Ho 0.50062654936551 0.23709256891763 0.68073918920748 164.930 > 5 18 Ho 0.50000000000000 0.25891777391369 0.00000000000000 164.930 > 6 19 Ho 0.49937345063449 0.23709256891763 0.31926081079252 164.930 > 7 20 Ho 0.50000000000000 0.74108222608631 0.00000000000000 164.930 > 8 21 Ho 0.50062654936551 0.76290743108237 0.68073918920748 164.930 > 9 22 Ho 0.75917738744359 0.50000000000000 0.67918937971397 164.930 > 10 23 Ho 0.49937345063449 0.76290743108237 0.31926081079252 164.930 > 11 24 Ho 0.24082261255641 0.50000000000000 0.32081062028603 164.930 > 12 *25 F 0.89948837491668 0.26511147694138 0.08530126572400 18.998 > 13 *26 F 0.11789530010494 0.26428864108815 0.23667591816009 18.998 > 14 *27 F 0.39565347090502 0.50000000000000 0.92617038414172 18.998 > 15 *28 F 0.00000000000000 0.32203519157749 0.50000000000000 18.998 > 16 *29 F 0.00247015711511 0.00000000000000 0.73351530995291 18.998 > 17 *30 F 0.17172043081182 0.82956319008301 0.73830803596236 18.998 > 18 31 F 0.00000000000000 0.67796480842251 0.50000000000000 18.998 > 19 32 F 0.82827956918818 0.17043680991699 0.26169196403764 18.998 > 20 *33 F 0.83628851503955 0.16772090976282 0.49870621985438 18.998 > 21 34 F 0.88210469989506 0.26428864108815 0.76332408183991 18.998 > 22 35 F 0.88210469989506 0.73571135891185 0.76332408183991 18.998 > 23 *36 F 0.88650230300960 0.50000000000000 0.61917504036633 18.998 > 24 *37 F 0.60515170649019 0.00000000000000 0.08682272302289 18.998 > 25 38 F 0.10051162508332 0.73488852305862 0.91469873427600 18.998 > 26 39 F 0.83628851503955 0.83227909023718 0.49870621985438 18.998 > 27 40 F 0.10051162508332 0.26511147694138 0.91469873427600 18.998 > 28 41 F 0.11789530010494 0.73571135891185 0.23667591816009 18.998 > 29 42 F 0.17172043081182 0.17043680991699 0.73830803596236 18.998 > 30 *43 F 0.89740891537753 0.50000000000000 0.25075794807636 18.998 > 31 44 F 0.99752984288489 0.00000000000000 0.26648469004709 18.998 > 32 45 F 0.16371148496045 0.16772090976282 0.50129378014562 18.998 > 33 46 F 0.10259108462247 0.50000000000000 0.74924205192364 18.998 > 34 47 F 0.11349769699040 0.50000000000000 0.38082495963367 18.998 > 35 48 F 0.82827956918818 0.82956319008301 0.26169196403764 18.998 > 36 49 F 0.89948837491668 0.73488852305862 0.08530126572400 18.998 > 37 50 F 0.60434652909498 0.50000000000000 0.07382961585828 18.998 > 38 51 F 0.16371148496045 0.83227909023718 0.50129378014562 18.998 > 39 52 F 0.39484829350981 0.00000000000000 0.91317727697711 18.998 > 40 53 F 0.39948837491668 0.76511147694138 0.08530126572400 18.998 > 13 54 F 0.61789530010494 0.76428864108815 0.23667591816009 18.998 > 14 55 F 0.89565347090502 0.00000000000000 0.92617038414172 18.998 > 15 56 F 0.50000000000000 0.82203519157749 0.50000000000000 18.998 > 16 57 F 0.50247015711511 0.50000000000000 0.73351530995291 18.998 > 17 58 F 0.67172043081182 0.32956319008301 0.73830803596236 18.998 > 18 59 F 0.50000000000000 0.17796480842251 0.50000000000000 18.998 > 19 60 F 0.32827956918818 0.67043680991699 0.26169196403764 18.998 > 20 61 F 0.33628851503955 0.66772090976282 0.49870621985438 18.998 > 21 62 F 0.38210469989506 0.76428864108815 0.76332408183991 18.998 > 22 63 F 0.38210469989506 0.23571135891185 0.76332408183991 18.998 > 23 64 F 0.38650230300960 0.00000000000000 0.61917504036633 18.998 > 24 65 F 0.10515170649019 0.50000000000000 0.08682272302289 18.998 > 25 66 F 0.60051162508332 0.23488852305862 0.91469873427600 18.998 > 26 67 F 0.33628851503955 0.33227909023718 0.49870621985438 18.998 > 27 68 F 0.60051162508332 0.76511147694138 0.91469873427600 18.998 > 28 69 F 0.61789530010494 0.23571135891185 0.23667591816009 18.998 > 29 70 F 0.67172043081182 0.67043680991699 0.73830803596236 18.998 > 30 71 F 0.39740891537753 0.00000000000000 0.25075794807636 18.998 > 31 72 F 0.49752984288489 0.50000000000000 0.26648469004709 18.998 > 32 73 F 0.66371148496045 0.66772090976282 0.50129378014562 18.998 > 33 74 F 0.60259108462247 0.00000000000000 0.74924205192364 18.998 > 34 75 F 0.61349769699040 0.00000000000000 0.38082495963367 18.998 > 35 76 F 0.32827956918818 0.32956319008301 0.26169196403764 18.998 > 36 77 F 0.39948837491668 0.23488852305862 0.08530126572400 18.998 > 37 78 F 0.10434652909498 0.00000000000000 0.07382961585828 18.998 > 38 79 F 0.66371148496045 0.33227909023718 0.50129378014562 18.998 > 39 80 F 0.89484829350981 0.50000000000000 0.91317727697711 18.998 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4159017 0.0000000 -0.0244947 0.0000000 2.4464398 0.0000000 -0.0244931 0.0000000 2.4472269 -------------------------- Born effective charges -------------------------- 1 K 1.2958999 0.0000000 0.0981172 -0.0000000 1.1220131 0.0000000 0.0891349 -0.0000000 1.2692869 2 K 1.2958999 0.0000000 0.0981172 -0.0000000 1.1220131 0.0000000 0.0891349 -0.0000000 1.2692869 3 K 1.2388509 0.0000000 0.0372409 -0.0000000 1.2341665 0.0000000 0.0428163 -0.0000000 1.2132168 4 K 1.2388509 0.0000000 0.0372409 -0.0000000 1.2341665 0.0000000 0.0428163 -0.0000000 1.2132168 5 Ho 3.6184041 0.0184570 -0.1843124 -0.0451463 3.8270719 0.0268972 -0.1121399 0.0475213 3.6935819 6 Ho 3.4483693 0.0000000 -0.2918818 -0.0000000 3.8940037 0.0000000 -0.4600675 -0.0000000 3.8684169 7 Ho 3.6184041 -0.0184570 -0.1843124 0.0451463 3.8270719 -0.0268972 -0.1121399 -0.0475213 3.6935819 8 Ho 3.4483693 0.0000000 -0.2918818 -0.0000000 3.8940037 0.0000000 -0.4600675 -0.0000000 3.8684169 9 Ho 3.6184041 -0.0184570 -0.1843124 0.0451463 3.8270719 -0.0268972 -0.1121399 -0.0475213 3.6935819 10 Ho 3.7355145 0.0000000 0.0710073 -0.0000000 3.6013197 0.0000000 0.1006285 -0.0000000 3.7404257 11 Ho 3.6184041 0.0184570 -0.1843124 -0.0451463 3.8270719 0.0268972 -0.1121399 0.0475213 3.6935819 12 Ho 3.7355145 0.0000000 0.0710073 -0.0000000 3.6013197 0.0000000 0.1006285 -0.0000000 3.7404257 13 F -1.3840952 0.0328192 0.3445130 0.0155487 -0.8486798 0.0020154 0.3613478 -0.0109545 -1.5046851 14 F -1.2505309 -0.1958733 0.0257461 -0.2048173 -1.0725290 -0.1627796 0.0516095 -0.1850906 -1.4216702 15 F -0.9687092 0.0000000 -0.1232683 -0.0000000 -1.7263996 0.0000000 -0.1123061 -0.0000000 -0.9387117 16 F -1.2525767 0.0000000 0.6819919 -0.0000000 -0.7962519 0.0000000 0.6288393 -0.0000000 -1.6561280 17 F -0.7693829 0.0000000 0.0438491 -0.0000000 -2.1158686 0.0000000 0.0316013 -0.0000000 -0.8258655 18 F -1.7384573 -0.5245538 0.0116251 -0.5206302 -1.0948594 -0.0102672 -0.0084729 -0.0095009 -0.8393147 19 F -1.2525767 0.0000000 0.6819919 -0.0000000 -0.7962519 0.0000000 0.6288393 -0.0000000 -1.6561280 20 F -1.7384573 -0.5245538 0.0116251 -0.5206302 -1.0948594 -0.0102672 -0.0084729 -0.0095009 -0.8393147 21 F -0.8867475 -0.1694902 -0.3089503 -0.1716193 -1.1167353 -0.5656081 -0.3023245 -0.5409183 -1.6514411 22 F -1.2505309 0.1958733 0.0257461 0.2048173 -1.0725290 0.1627796 0.0516095 0.1850906 -1.4216702 23 F -1.2505309 -0.1958733 0.0257461 -0.2048173 -1.0725290 -0.1627796 0.0516095 -0.1850906 -1.4216702 24 F -1.4945140 0.0000000 0.0097635 -0.0000000 -1.4063604 0.0000000 0.0349814 -0.0000000 -0.8633788 25 F -0.9155280 0.0000000 -0.2251265 -0.0000000 -1.4335985 0.0000000 -0.2270778 -0.0000000 -1.4542291 26 F -1.3840952 0.0328192 0.3445130 0.0155487 -0.8486798 0.0020154 0.3613478 -0.0109545 -1.5046851 27 F -0.8867475 0.1694902 -0.3089503 0.1716193 -1.1167353 0.5656081 -0.3023245 0.5409183 -1.6514411 28 F -1.3840952 -0.0328192 0.3445130 -0.0155487 -0.8486798 -0.0020154 0.3613478 0.0109545 -1.5046851 29 F -1.2505309 0.1958733 0.0257461 0.2048173 -1.0725290 0.1627796 0.0516095 0.1850906 -1.4216702 30 F -1.7384573 0.5245538 0.0116251 0.5206302 -1.0948594 0.0102672 -0.0084729 0.0095009 -0.8393147 31 F -1.0350700 0.0000000 -0.0789364 -0.0000000 -1.7615605 0.0000000 -0.1085902 -0.0000000 -0.9059749 32 F -0.7693829 0.0000000 0.0438491 -0.0000000 -2.1158686 0.0000000 0.0316013 -0.0000000 -0.8258655 33 F -0.8867475 0.1694902 -0.3089503 0.1716193 -1.1167353 0.5656081 -0.3023245 0.5409183 -1.6514411 34 F -1.0350700 0.0000000 -0.0789364 -0.0000000 -1.7615605 0.0000000 -0.1085902 -0.0000000 -0.9059749 35 F -1.4945140 0.0000000 0.0097635 -0.0000000 -1.4063604 0.0000000 0.0349814 -0.0000000 -0.8633788 36 F -1.7384573 0.5245538 0.0116251 0.5206302 -1.0948594 0.0102672 -0.0084729 0.0095009 -0.8393147 37 F -1.3840952 -0.0328192 0.3445130 -0.0155487 -0.8486798 -0.0020154 0.3613478 0.0109545 -1.5046851 38 F -0.9687092 0.0000000 -0.1232683 -0.0000000 -1.7263996 0.0000000 -0.1123061 -0.0000000 -0.9387117 39 F -0.8867475 -0.1694902 -0.3089503 -0.1716193 -1.1167353 -0.5656081 -0.3023245 -0.5409183 -1.6514411 40 F -0.9155280 0.0000000 -0.2251265 -0.0000000 -1.4335985 0.0000000 -0.2270778 -0.0000000 -1.4542291 ---------------------------------------------------------------------------- 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: 18228/18228 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3788 Number of blocks in projector: 3788 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: 936 Use submatrix version of eigh solver. (1) Block: 500 / 936 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 936 / 936 (1) 411 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 664 Use submatrix version of eigh solver. (1) Block: 500 / 664 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 664 / 664 (1) 155 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 664 Use submatrix version of eigh solver. (1) Block: 500 / 664 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 664 / 664 (1) 155 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 508 Use submatrix version of eigh solver. (1) Block: 508 / 508 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 245 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 508 Use submatrix version of eigh solver. (1) Block: 508 / 508 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 245 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 508 Use submatrix version of eigh solver. (1) Block: 508 / 508 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 245 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3788, 3694), data: False |-- (508, 493), data: False |-- (508, 493), data: False |-- (508, 13), data: (508, 28) @ (28, 13) |-- (258, 245), data: True |-- (250, 235), data: True |-- (508, 493), data: False |-- (508, 493), data: False |-- (508, 13), data: (508, 28) @ (28, 13) |-- (258, 245), data: True |-- (250, 235), data: True |-- (508, 493), data: False |-- (508, 493), data: False |-- (508, 13), data: (508, 28) @ (28, 13) |-- (258, 245), data: True |-- (250, 235), data: True |-- (664, 654), data: False |-- (664, 9), data: (664, 19) @ (19, 9) |-- (164, 155), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (664, 654), data: False |-- (664, 9), data: (664, 19) @ (19, 9) |-- (164, 155), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (936, 907), data: False |-- (936, 25), data: (936, 54) @ (54, 25) |-- (436, 411), data: True |-- (500, 471), data: False |-- (500, 18), data: (500, 47) @ (47, 18) |-- (250, 221), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.702 Solver_block: 200 / 1200 - Time: 0.562 Solver_block: 300 / 1200 - Time: 0.563 Solver_block: 400 / 1200 - Time: 0.563 Solver_block: 500 / 1200 - Time: 0.563 Solver_block: 600 / 1200 - Time: 0.562 Solver_block: 700 / 1200 - Time: 0.564 Solver_block: 800 / 1200 - Time: 0.564 Solver_block: 900 / 1200 - Time: 0.564 Solver_block: 1000 / 1200 - Time: 0.563 Solver_block: 1100 / 1200 - Time: 0.562 Solver_block: 1200 / 1200 - Time: 0.565 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 18228/18228 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3788 Number of blocks in projector: 3788 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: 936 Use submatrix version of eigh solver. (1) Block: 500 / 936 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 936 / 936 (1) 411 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 664 Use submatrix version of eigh solver. (1) Block: 500 / 664 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 664 / 664 (1) 155 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 664 Use submatrix version of eigh solver. (1) Block: 500 / 664 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 664 / 664 (1) 155 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 508 Use submatrix version of eigh solver. (1) Block: 508 / 508 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 245 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 508 Use submatrix version of eigh solver. (1) Block: 508 / 508 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 245 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 508 Use submatrix version of eigh solver. (1) Block: 508 / 508 (2) Block: 250 / 508 (2) 235 eigenvectors found. (2) Block: 508 / 508 (2) 245 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3788, 3694), data: False |-- (508, 493), data: False |-- (508, 493), data: False |-- (508, 13), data: (508, 28) @ (28, 13) |-- (258, 245), data: True |-- (250, 235), data: True |-- (508, 493), data: False |-- (508, 493), data: False |-- (508, 13), data: (508, 28) @ (28, 13) |-- (258, 245), data: True |-- (250, 235), data: True |-- (508, 493), data: False |-- (508, 493), data: False |-- (508, 13), data: (508, 28) @ (28, 13) |-- (258, 245), data: True |-- (250, 235), data: True |-- (664, 654), data: False |-- (664, 9), data: (664, 19) @ (19, 9) |-- (164, 155), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (664, 654), data: False |-- (664, 9), data: (664, 19) @ (19, 9) |-- (164, 155), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (936, 907), data: False |-- (936, 25), data: (936, 54) @ (54, 25) |-- (436, 411), data: True |-- (500, 471), data: False |-- (500, 18), data: (500, 47) @ (47, 18) |-- (250, 221), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:51:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:51:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.107470490292984 -3.963413380000001 0.000000000000000 b 7.107470490292984 3.963413380000001 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): 1 K 0.23727464530079 0.23727464530079 0.97958359780094 39.098 2 K 0.76272535469921 0.76272535469921 0.02041640219906 39.098 3 K 0.26708788271001 0.26708788271001 0.34751848070023 39.098 4 K 0.73291211728999 0.73291211728999 0.65248151929977 39.098 5 Ho 0.26353398044788 0.73771911828315 0.68073918920748 164.930 6 Ho 0.24108222608631 0.75891777391369 0.00000000000000 164.930 7 Ho 0.26228088171685 0.73646601955212 0.31926081079252 164.930 8 Ho 0.75891777391369 0.24108222608631 0.00000000000000 164.930 9 Ho 0.73771911828315 0.26353398044788 0.68073918920748 164.930 10 Ho 0.25917738744359 0.25917738744359 0.67918937971397 164.930 11 Ho 0.73646601955212 0.26228088171685 0.31926081079252 164.930 12 Ho 0.74082261255641 0.74082261255641 0.32081062028603 164.930 13 F 0.63437689797530 0.16459985185806 0.08530126572400 18.998 14 F 0.85360665901679 0.38218394119309 0.23667591816009 18.998 15 F 0.89565347090502 0.89565347090502 0.92617038414172 18.998 16 F 0.67796480842251 0.32203519157749 0.50000000000000 18.998 17 F 0.00247015711511 0.00247015711511 0.73351530995291 18.998 18 F 0.34215724072881 0.00128362089483 0.73830803596236 18.998 19 F 0.32203519157749 0.67796480842251 0.50000000000000 18.998 20 F 0.65784275927119 0.99871637910517 0.26169196403764 18.998 21 F 0.66856760527673 0.00400942480237 0.49870621985438 18.998 22 F 0.61781605880691 0.14639334098321 0.76332408183991 18.998 23 F 0.14639334098321 0.61781605880691 0.76332408183991 18.998 24 F 0.38650230300960 0.38650230300960 0.61917504036633 18.998 25 F 0.60515170649019 0.60515170649019 0.08682272302289 18.998 26 F 0.36562310202470 0.83540014814194 0.91469873427600 18.998 27 F 0.00400942480237 0.66856760527673 0.49870621985438 18.998 28 F 0.83540014814194 0.36562310202470 0.91469873427600 18.998 29 F 0.38218394119309 0.85360665901679 0.23667591816009 18.998 30 F 0.00128362089483 0.34215724072881 0.73830803596236 18.998 31 F 0.39740891537753 0.39740891537753 0.25075794807636 18.998 32 F 0.99752984288489 0.99752984288489 0.26648469004709 18.998 33 F 0.99599057519763 0.33143239472327 0.50129378014562 18.998 34 F 0.60259108462247 0.60259108462247 0.74924205192364 18.998 35 F 0.61349769699040 0.61349769699040 0.38082495963367 18.998 36 F 0.99871637910517 0.65784275927119 0.26169196403764 18.998 37 F 0.16459985185806 0.63437689797530 0.08530126572400 18.998 38 F 0.10434652909498 0.10434652909498 0.07382961585828 18.998 39 F 0.33143239472327 0.99599057519763 0.50129378014562 18.998 40 F 0.39484829350981 0.39484829350981 0.91317727697711 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.214940980585968 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926826760000002 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): 1 K 0.23727464530079 0.00000000000000 0.97958359780094 39.098 > 1 2 K 0.76272535469921 0.00000000000000 0.02041640219906 39.098 > 2 3 K 0.76708788271001 0.50000000000000 0.34751848070023 39.098 > 3 4 K 0.23291211728999 0.50000000000000 0.65248151929977 39.098 > 4 5 K 0.73727464530079 0.50000000000000 0.97958359780094 39.098 > 1 6 K 0.26272535469921 0.50000000000000 0.02041640219906 39.098 > 2 7 K 0.26708788271001 0.00000000000000 0.34751848070023 39.098 > 3 8 K 0.73291211728999 0.00000000000000 0.65248151929977 39.098 > 4 9 Ho 0.00062654936551 0.73709256891763 0.68073918920748 164.930 > 9 10 Ho 0.00000000000000 0.75891777391369 0.00000000000000 164.930 > 10 11 Ho 0.99937345063449 0.73709256891763 0.31926081079252 164.930 > 11 12 Ho 0.00000000000000 0.24108222608631 0.00000000000000 164.930 > 12 13 Ho 0.00062654936551 0.26290743108236 0.68073918920748 164.930 > 13 14 Ho 0.25917738744359 0.00000000000000 0.67918937971397 164.930 > 14 15 Ho 0.99937345063449 0.26290743108236 0.31926081079252 164.930 > 15 16 Ho 0.74082261255641 0.00000000000000 0.32081062028603 164.930 > 16 17 Ho 0.50062654936551 0.23709256891763 0.68073918920748 164.930 > 9 18 Ho 0.50000000000000 0.25891777391369 0.00000000000000 164.930 > 10 19 Ho 0.49937345063449 0.23709256891763 0.31926081079252 164.930 > 11 20 Ho 0.50000000000000 0.74108222608631 0.00000000000000 164.930 > 12 21 Ho 0.50062654936551 0.76290743108237 0.68073918920748 164.930 > 13 22 Ho 0.75917738744359 0.50000000000000 0.67918937971397 164.930 > 14 23 Ho 0.49937345063449 0.76290743108237 0.31926081079252 164.930 > 15 24 Ho 0.24082261255641 0.50000000000000 0.32081062028603 164.930 > 16 25 F 0.89948837491668 0.26511147694138 0.08530126572400 18.998 > 25 26 F 0.11789530010494 0.26428864108815 0.23667591816009 18.998 > 26 27 F 0.39565347090502 0.50000000000000 0.92617038414172 18.998 > 27 28 F 0.00000000000000 0.32203519157749 0.50000000000000 18.998 > 28 29 F 0.00247015711511 0.00000000000000 0.73351530995291 18.998 > 29 30 F 0.17172043081182 0.82956319008301 0.73830803596236 18.998 > 30 31 F 0.00000000000000 0.67796480842251 0.50000000000000 18.998 > 31 32 F 0.82827956918818 0.17043680991699 0.26169196403764 18.998 > 32 33 F 0.83628851503955 0.16772090976282 0.49870621985438 18.998 > 33 34 F 0.88210469989506 0.26428864108815 0.76332408183991 18.998 > 34 35 F 0.88210469989506 0.73571135891185 0.76332408183991 18.998 > 35 36 F 0.88650230300960 0.50000000000000 0.61917504036633 18.998 > 36 37 F 0.60515170649019 0.00000000000000 0.08682272302289 18.998 > 37 38 F 0.10051162508332 0.73488852305862 0.91469873427600 18.998 > 38 39 F 0.83628851503955 0.83227909023718 0.49870621985438 18.998 > 39 40 F 0.10051162508332 0.26511147694138 0.91469873427600 18.998 > 40 41 F 0.11789530010494 0.73571135891185 0.23667591816009 18.998 > 41 42 F 0.17172043081182 0.17043680991699 0.73830803596236 18.998 > 42 43 F 0.89740891537753 0.50000000000000 0.25075794807636 18.998 > 43 44 F 0.99752984288489 0.00000000000000 0.26648469004709 18.998 > 44 45 F 0.16371148496045 0.16772090976282 0.50129378014562 18.998 > 45 46 F 0.10259108462247 0.50000000000000 0.74924205192364 18.998 > 46 47 F 0.11349769699040 0.50000000000000 0.38082495963367 18.998 > 47 48 F 0.82827956918818 0.82956319008301 0.26169196403764 18.998 > 48 49 F 0.89948837491668 0.73488852305862 0.08530126572400 18.998 > 49 50 F 0.60434652909498 0.50000000000000 0.07382961585828 18.998 > 50 51 F 0.16371148496045 0.83227909023718 0.50129378014562 18.998 > 51 52 F 0.39484829350981 0.00000000000000 0.91317727697711 18.998 > 52 53 F 0.39948837491668 0.76511147694138 0.08530126572400 18.998 > 25 54 F 0.61789530010494 0.76428864108815 0.23667591816009 18.998 > 26 55 F 0.89565347090502 0.00000000000000 0.92617038414172 18.998 > 27 56 F 0.50000000000000 0.82203519157749 0.50000000000000 18.998 > 28 57 F 0.50247015711511 0.50000000000000 0.73351530995291 18.998 > 29 58 F 0.67172043081182 0.32956319008301 0.73830803596236 18.998 > 30 59 F 0.50000000000000 0.17796480842251 0.50000000000000 18.998 > 31 60 F 0.32827956918818 0.67043680991699 0.26169196403764 18.998 > 32 61 F 0.33628851503955 0.66772090976282 0.49870621985438 18.998 > 33 62 F 0.38210469989506 0.76428864108815 0.76332408183991 18.998 > 34 63 F 0.38210469989506 0.23571135891185 0.76332408183991 18.998 > 35 64 F 0.38650230300960 0.00000000000000 0.61917504036633 18.998 > 36 65 F 0.10515170649019 0.50000000000000 0.08682272302289 18.998 > 37 66 F 0.60051162508332 0.23488852305862 0.91469873427600 18.998 > 38 67 F 0.33628851503955 0.33227909023718 0.49870621985438 18.998 > 39 68 F 0.60051162508332 0.76511147694138 0.91469873427600 18.998 > 40 69 F 0.61789530010494 0.23571135891185 0.23667591816009 18.998 > 41 70 F 0.67172043081182 0.67043680991699 0.73830803596236 18.998 > 42 71 F 0.39740891537753 0.00000000000000 0.25075794807636 18.998 > 43 72 F 0.49752984288489 0.50000000000000 0.26648469004709 18.998 > 44 73 F 0.66371148496045 0.66772090976282 0.50129378014562 18.998 > 45 74 F 0.60259108462247 0.00000000000000 0.74924205192364 18.998 > 46 75 F 0.61349769699040 0.00000000000000 0.38082495963367 18.998 > 47 76 F 0.32827956918818 0.32956319008301 0.26169196403764 18.998 > 48 77 F 0.39948837491668 0.23488852305862 0.08530126572400 18.998 > 49 78 F 0.10434652909498 0.00000000000000 0.07382961585828 18.998 > 50 79 F 0.66371148496045 0.33227909023718 0.50129378014562 18.998 > 51 80 F 0.89484829350981 0.50000000000000 0.91317727697711 18.998 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4159017 0.0000000 -0.0244947 0.0000000 2.4464398 0.0000000 -0.0244931 0.0000000 2.4472269 -------------------------- Born effective charges -------------------------- 1 K 1.2958999 0.0000000 0.0981172 -0.0000000 1.1220131 0.0000000 0.0891349 -0.0000000 1.2692869 2 K 1.2958999 0.0000000 0.0981172 -0.0000000 1.1220131 0.0000000 0.0891349 -0.0000000 1.2692869 3 K 1.2388509 0.0000000 0.0372409 -0.0000000 1.2341665 0.0000000 0.0428163 -0.0000000 1.2132168 4 K 1.2388509 0.0000000 0.0372409 -0.0000000 1.2341665 0.0000000 0.0428163 -0.0000000 1.2132168 5 Ho 3.6184041 0.0184570 -0.1843124 -0.0451463 3.8270719 0.0268972 -0.1121399 0.0475213 3.6935819 6 Ho 3.4483693 0.0000000 -0.2918818 -0.0000000 3.8940037 0.0000000 -0.4600675 -0.0000000 3.8684169 7 Ho 3.6184041 -0.0184570 -0.1843124 0.0451463 3.8270719 -0.0268972 -0.1121399 -0.0475213 3.6935819 8 Ho 3.4483693 0.0000000 -0.2918818 -0.0000000 3.8940037 0.0000000 -0.4600675 -0.0000000 3.8684169 9 Ho 3.6184041 -0.0184570 -0.1843124 0.0451463 3.8270719 -0.0268972 -0.1121399 -0.0475213 3.6935819 10 Ho 3.7355145 0.0000000 0.0710073 -0.0000000 3.6013197 0.0000000 0.1006285 -0.0000000 3.7404257 11 Ho 3.6184041 0.0184570 -0.1843124 -0.0451463 3.8270719 0.0268972 -0.1121399 0.0475213 3.6935819 12 Ho 3.7355145 0.0000000 0.0710073 -0.0000000 3.6013197 0.0000000 0.1006285 -0.0000000 3.7404257 13 F -1.3840952 0.0328192 0.3445130 0.0155487 -0.8486798 0.0020154 0.3613478 -0.0109545 -1.5046851 14 F -1.2505309 -0.1958733 0.0257461 -0.2048173 -1.0725290 -0.1627796 0.0516095 -0.1850906 -1.4216702 15 F -0.9687092 0.0000000 -0.1232683 -0.0000000 -1.7263996 0.0000000 -0.1123061 -0.0000000 -0.9387117 16 F -1.2525767 0.0000000 0.6819919 -0.0000000 -0.7962519 0.0000000 0.6288393 -0.0000000 -1.6561280 17 F -0.7693829 0.0000000 0.0438491 -0.0000000 -2.1158686 0.0000000 0.0316013 -0.0000000 -0.8258655 18 F -1.7384573 -0.5245538 0.0116251 -0.5206302 -1.0948594 -0.0102672 -0.0084729 -0.0095009 -0.8393147 19 F -1.2525767 0.0000000 0.6819919 -0.0000000 -0.7962519 0.0000000 0.6288393 -0.0000000 -1.6561280 20 F -1.7384573 -0.5245538 0.0116251 -0.5206302 -1.0948594 -0.0102672 -0.0084729 -0.0095009 -0.8393147 21 F -0.8867475 -0.1694902 -0.3089503 -0.1716193 -1.1167353 -0.5656081 -0.3023245 -0.5409183 -1.6514411 22 F -1.2505309 0.1958733 0.0257461 0.2048173 -1.0725290 0.1627796 0.0516095 0.1850906 -1.4216702 23 F -1.2505309 -0.1958733 0.0257461 -0.2048173 -1.0725290 -0.1627796 0.0516095 -0.1850906 -1.4216702 24 F -1.4945140 0.0000000 0.0097635 -0.0000000 -1.4063604 0.0000000 0.0349814 -0.0000000 -0.8633788 25 F -0.9155280 0.0000000 -0.2251265 -0.0000000 -1.4335985 0.0000000 -0.2270778 -0.0000000 -1.4542291 26 F -1.3840952 0.0328192 0.3445130 0.0155487 -0.8486798 0.0020154 0.3613478 -0.0109545 -1.5046851 27 F -0.8867475 0.1694902 -0.3089503 0.1716193 -1.1167353 0.5656081 -0.3023245 0.5409183 -1.6514411 28 F -1.3840952 -0.0328192 0.3445130 -0.0155487 -0.8486798 -0.0020154 0.3613478 0.0109545 -1.5046851 29 F -1.2505309 0.1958733 0.0257461 0.2048173 -1.0725290 0.1627796 0.0516095 0.1850906 -1.4216702 30 F -1.7384573 0.5245538 0.0116251 0.5206302 -1.0948594 0.0102672 -0.0084729 0.0095009 -0.8393147 31 F -1.0350700 0.0000000 -0.0789364 -0.0000000 -1.7615605 0.0000000 -0.1085902 -0.0000000 -0.9059749 32 F -0.7693829 0.0000000 0.0438491 -0.0000000 -2.1158686 0.0000000 0.0316013 -0.0000000 -0.8258655 33 F -0.8867475 0.1694902 -0.3089503 0.1716193 -1.1167353 0.5656081 -0.3023245 0.5409183 -1.6514411 34 F -1.0350700 0.0000000 -0.0789364 -0.0000000 -1.7615605 0.0000000 -0.1085902 -0.0000000 -0.9059749 35 F -1.4945140 0.0000000 0.0097635 -0.0000000 -1.4063604 0.0000000 0.0349814 -0.0000000 -0.8633788 36 F -1.7384573 0.5245538 0.0116251 0.5206302 -1.0948594 0.0102672 -0.0084729 0.0095009 -0.8393147 37 F -1.3840952 -0.0328192 0.3445130 -0.0155487 -0.8486798 -0.0020154 0.3613478 0.0109545 -1.5046851 38 F -0.9687092 0.0000000 -0.1232683 -0.0000000 -1.7263996 0.0000000 -0.1123061 -0.0000000 -0.9387117 39 F -0.8867475 -0.1694902 -0.3089503 -0.1716193 -1.1167353 -0.5656081 -0.3023245 -0.5409183 -1.6514411 40 F -0.9155280 0.0000000 -0.2251265 -0.0000000 -1.4335985 0.0000000 -0.2270778 -0.0000000 -1.4542291 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 10, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 14, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 26, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 28, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 30, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 36, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (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 08:52:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:52:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.107470490292984 -3.963413380000001 0.000000000000000 b 7.107470490292984 3.963413380000001 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): 1 K 0.23727464530079 0.23727464530079 0.97958359780094 39.098 2 K 0.76272535469921 0.76272535469921 0.02041640219906 39.098 3 K 0.26708788271001 0.26708788271001 0.34751848070023 39.098 4 K 0.73291211728999 0.73291211728999 0.65248151929977 39.098 5 Ho 0.26353398044788 0.73771911828315 0.68073918920748 164.930 6 Ho 0.24108222608631 0.75891777391369 0.00000000000000 164.930 7 Ho 0.26228088171685 0.73646601955212 0.31926081079252 164.930 8 Ho 0.75891777391369 0.24108222608631 0.00000000000000 164.930 9 Ho 0.73771911828315 0.26353398044788 0.68073918920748 164.930 10 Ho 0.25917738744359 0.25917738744359 0.67918937971397 164.930 11 Ho 0.73646601955212 0.26228088171685 0.31926081079252 164.930 12 Ho 0.74082261255641 0.74082261255641 0.32081062028603 164.930 13 F 0.63437689797530 0.16459985185806 0.08530126572400 18.998 14 F 0.85360665901679 0.38218394119309 0.23667591816009 18.998 15 F 0.89565347090502 0.89565347090502 0.92617038414172 18.998 16 F 0.67796480842251 0.32203519157749 0.50000000000000 18.998 17 F 0.00247015711511 0.00247015711511 0.73351530995291 18.998 18 F 0.34215724072881 0.00128362089483 0.73830803596236 18.998 19 F 0.32203519157749 0.67796480842251 0.50000000000000 18.998 20 F 0.65784275927119 0.99871637910517 0.26169196403764 18.998 21 F 0.66856760527673 0.00400942480237 0.49870621985438 18.998 22 F 0.61781605880691 0.14639334098321 0.76332408183991 18.998 23 F 0.14639334098321 0.61781605880691 0.76332408183991 18.998 24 F 0.38650230300960 0.38650230300960 0.61917504036633 18.998 25 F 0.60515170649019 0.60515170649019 0.08682272302289 18.998 26 F 0.36562310202470 0.83540014814194 0.91469873427600 18.998 27 F 0.00400942480237 0.66856760527673 0.49870621985438 18.998 28 F 0.83540014814194 0.36562310202470 0.91469873427600 18.998 29 F 0.38218394119309 0.85360665901679 0.23667591816009 18.998 30 F 0.00128362089483 0.34215724072881 0.73830803596236 18.998 31 F 0.39740891537753 0.39740891537753 0.25075794807636 18.998 32 F 0.99752984288489 0.99752984288489 0.26648469004709 18.998 33 F 0.99599057519763 0.33143239472327 0.50129378014562 18.998 34 F 0.60259108462247 0.60259108462247 0.74924205192364 18.998 35 F 0.61349769699040 0.61349769699040 0.38082495963367 18.998 36 F 0.99871637910517 0.65784275927119 0.26169196403764 18.998 37 F 0.16459985185806 0.63437689797530 0.08530126572400 18.998 38 F 0.10434652909498 0.10434652909498 0.07382961585828 18.998 39 F 0.33143239472327 0.99599057519763 0.50129378014562 18.998 40 F 0.39484829350981 0.39484829350981 0.91317727697711 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.214940980585968 0.000000000000000 0.000000000000000 b 0.000000000000000 7.926826760000002 0.000000000000000 c -6.820941889990005 0.000000000000000 9.682912157045298 Atomic positions (fractional): 1 K 0.23727464530079 0.00000000000000 0.97958359780094 39.098 > 1 2 K 0.76272535469921 0.00000000000000 0.02041640219906 39.098 > 2 3 K 0.76708788271001 0.50000000000000 0.34751848070023 39.098 > 3 4 K 0.23291211728999 0.50000000000000 0.65248151929977 39.098 > 4 5 K 0.73727464530079 0.50000000000000 0.97958359780094 39.098 > 1 6 K 0.26272535469921 0.50000000000000 0.02041640219906 39.098 > 2 7 K 0.26708788271001 0.00000000000000 0.34751848070023 39.098 > 3 8 K 0.73291211728999 0.00000000000000 0.65248151929977 39.098 > 4 9 Ho 0.00062654936551 0.73709256891763 0.68073918920748 164.930 > 9 10 Ho 0.00000000000000 0.75891777391369 0.00000000000000 164.930 > 10 11 Ho 0.99937345063449 0.73709256891763 0.31926081079252 164.930 > 11 12 Ho 0.00000000000000 0.24108222608631 0.00000000000000 164.930 > 12 13 Ho 0.00062654936551 0.26290743108236 0.68073918920748 164.930 > 13 14 Ho 0.25917738744359 0.00000000000000 0.67918937971397 164.930 > 14 15 Ho 0.99937345063449 0.26290743108236 0.31926081079252 164.930 > 15 16 Ho 0.74082261255641 0.00000000000000 0.32081062028603 164.930 > 16 17 Ho 0.50062654936551 0.23709256891763 0.68073918920748 164.930 > 9 18 Ho 0.50000000000000 0.25891777391369 0.00000000000000 164.930 > 10 19 Ho 0.49937345063449 0.23709256891763 0.31926081079252 164.930 > 11 20 Ho 0.50000000000000 0.74108222608631 0.00000000000000 164.930 > 12 21 Ho 0.50062654936551 0.76290743108237 0.68073918920748 164.930 > 13 22 Ho 0.75917738744359 0.50000000000000 0.67918937971397 164.930 > 14 23 Ho 0.49937345063449 0.76290743108237 0.31926081079252 164.930 > 15 24 Ho 0.24082261255641 0.50000000000000 0.32081062028603 164.930 > 16 25 F 0.89948837491668 0.26511147694138 0.08530126572400 18.998 > 25 26 F 0.11789530010494 0.26428864108815 0.23667591816009 18.998 > 26 27 F 0.39565347090502 0.50000000000000 0.92617038414172 18.998 > 27 28 F 0.00000000000000 0.32203519157749 0.50000000000000 18.998 > 28 29 F 0.00247015711511 0.00000000000000 0.73351530995291 18.998 > 29 30 F 0.17172043081182 0.82956319008301 0.73830803596236 18.998 > 30 31 F 0.00000000000000 0.67796480842251 0.50000000000000 18.998 > 31 32 F 0.82827956918818 0.17043680991699 0.26169196403764 18.998 > 32 33 F 0.83628851503955 0.16772090976282 0.49870621985438 18.998 > 33 34 F 0.88210469989506 0.26428864108815 0.76332408183991 18.998 > 34 35 F 0.88210469989506 0.73571135891185 0.76332408183991 18.998 > 35 36 F 0.88650230300960 0.50000000000000 0.61917504036633 18.998 > 36 37 F 0.60515170649019 0.00000000000000 0.08682272302289 18.998 > 37 38 F 0.10051162508332 0.73488852305862 0.91469873427600 18.998 > 38 39 F 0.83628851503955 0.83227909023718 0.49870621985438 18.998 > 39 40 F 0.10051162508332 0.26511147694138 0.91469873427600 18.998 > 40 41 F 0.11789530010494 0.73571135891185 0.23667591816009 18.998 > 41 42 F 0.17172043081182 0.17043680991699 0.73830803596236 18.998 > 42 43 F 0.89740891537753 0.50000000000000 0.25075794807636 18.998 > 43 44 F 0.99752984288489 0.00000000000000 0.26648469004709 18.998 > 44 45 F 0.16371148496045 0.16772090976282 0.50129378014562 18.998 > 45 46 F 0.10259108462247 0.50000000000000 0.74924205192364 18.998 > 46 47 F 0.11349769699040 0.50000000000000 0.38082495963367 18.998 > 47 48 F 0.82827956918818 0.82956319008301 0.26169196403764 18.998 > 48 49 F 0.89948837491668 0.73488852305862 0.08530126572400 18.998 > 49 50 F 0.60434652909498 0.50000000000000 0.07382961585828 18.998 > 50 51 F 0.16371148496045 0.83227909023718 0.50129378014562 18.998 > 51 52 F 0.39484829350981 0.00000000000000 0.91317727697711 18.998 > 52 53 F 0.39948837491668 0.76511147694138 0.08530126572400 18.998 > 25 54 F 0.61789530010494 0.76428864108815 0.23667591816009 18.998 > 26 55 F 0.89565347090502 0.00000000000000 0.92617038414172 18.998 > 27 56 F 0.50000000000000 0.82203519157749 0.50000000000000 18.998 > 28 57 F 0.50247015711511 0.50000000000000 0.73351530995291 18.998 > 29 58 F 0.67172043081182 0.32956319008301 0.73830803596236 18.998 > 30 59 F 0.50000000000000 0.17796480842251 0.50000000000000 18.998 > 31 60 F 0.32827956918818 0.67043680991699 0.26169196403764 18.998 > 32 61 F 0.33628851503955 0.66772090976282 0.49870621985438 18.998 > 33 62 F 0.38210469989506 0.76428864108815 0.76332408183991 18.998 > 34 63 F 0.38210469989506 0.23571135891185 0.76332408183991 18.998 > 35 64 F 0.38650230300960 0.00000000000000 0.61917504036633 18.998 > 36 65 F 0.10515170649019 0.50000000000000 0.08682272302289 18.998 > 37 66 F 0.60051162508332 0.23488852305862 0.91469873427600 18.998 > 38 67 F 0.33628851503955 0.33227909023718 0.49870621985438 18.998 > 39 68 F 0.60051162508332 0.76511147694138 0.91469873427600 18.998 > 40 69 F 0.61789530010494 0.23571135891185 0.23667591816009 18.998 > 41 70 F 0.67172043081182 0.67043680991699 0.73830803596236 18.998 > 42 71 F 0.39740891537753 0.00000000000000 0.25075794807636 18.998 > 43 72 F 0.49752984288489 0.50000000000000 0.26648469004709 18.998 > 44 73 F 0.66371148496045 0.66772090976282 0.50129378014562 18.998 > 45 74 F 0.60259108462247 0.00000000000000 0.74924205192364 18.998 > 46 75 F 0.61349769699040 0.00000000000000 0.38082495963367 18.998 > 47 76 F 0.32827956918818 0.32956319008301 0.26169196403764 18.998 > 48 77 F 0.39948837491668 0.23488852305862 0.08530126572400 18.998 > 49 78 F 0.10434652909498 0.00000000000000 0.07382961585828 18.998 > 50 79 F 0.66371148496045 0.33227909023718 0.50129378014562 18.998 > 51 80 F 0.89484829350981 0.50000000000000 0.91317727697711 18.998 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4159017 0.0000000 -0.0244947 0.0000000 2.4464398 0.0000000 -0.0244931 0.0000000 2.4472269 -------------------------- Born effective charges -------------------------- 1 K 1.2958999 0.0000000 0.0981172 -0.0000000 1.1220131 0.0000000 0.0891349 -0.0000000 1.2692869 2 K 1.2958999 0.0000000 0.0981172 -0.0000000 1.1220131 0.0000000 0.0891349 -0.0000000 1.2692869 3 K 1.2388509 0.0000000 0.0372409 -0.0000000 1.2341665 0.0000000 0.0428163 -0.0000000 1.2132168 4 K 1.2388509 0.0000000 0.0372409 -0.0000000 1.2341665 0.0000000 0.0428163 -0.0000000 1.2132168 5 Ho 3.6184041 0.0184570 -0.1843124 -0.0451463 3.8270719 0.0268972 -0.1121399 0.0475213 3.6935819 6 Ho 3.4483693 0.0000000 -0.2918818 -0.0000000 3.8940037 0.0000000 -0.4600675 -0.0000000 3.8684169 7 Ho 3.6184041 -0.0184570 -0.1843124 0.0451463 3.8270719 -0.0268972 -0.1121399 -0.0475213 3.6935819 8 Ho 3.4483693 0.0000000 -0.2918818 -0.0000000 3.8940037 0.0000000 -0.4600675 -0.0000000 3.8684169 9 Ho 3.6184041 -0.0184570 -0.1843124 0.0451463 3.8270719 -0.0268972 -0.1121399 -0.0475213 3.6935819 10 Ho 3.7355145 0.0000000 0.0710073 -0.0000000 3.6013197 0.0000000 0.1006285 -0.0000000 3.7404257 11 Ho 3.6184041 0.0184570 -0.1843124 -0.0451463 3.8270719 0.0268972 -0.1121399 0.0475213 3.6935819 12 Ho 3.7355145 0.0000000 0.0710073 -0.0000000 3.6013197 0.0000000 0.1006285 -0.0000000 3.7404257 13 F -1.3840952 0.0328192 0.3445130 0.0155487 -0.8486798 0.0020154 0.3613478 -0.0109545 -1.5046851 14 F -1.2505309 -0.1958733 0.0257461 -0.2048173 -1.0725290 -0.1627796 0.0516095 -0.1850906 -1.4216702 15 F -0.9687092 0.0000000 -0.1232683 -0.0000000 -1.7263996 0.0000000 -0.1123061 -0.0000000 -0.9387117 16 F -1.2525767 0.0000000 0.6819919 -0.0000000 -0.7962519 0.0000000 0.6288393 -0.0000000 -1.6561280 17 F -0.7693829 0.0000000 0.0438491 -0.0000000 -2.1158686 0.0000000 0.0316013 -0.0000000 -0.8258655 18 F -1.7384573 -0.5245538 0.0116251 -0.5206302 -1.0948594 -0.0102672 -0.0084729 -0.0095009 -0.8393147 19 F -1.2525767 0.0000000 0.6819919 -0.0000000 -0.7962519 0.0000000 0.6288393 -0.0000000 -1.6561280 20 F -1.7384573 -0.5245538 0.0116251 -0.5206302 -1.0948594 -0.0102672 -0.0084729 -0.0095009 -0.8393147 21 F -0.8867475 -0.1694902 -0.3089503 -0.1716193 -1.1167353 -0.5656081 -0.3023245 -0.5409183 -1.6514411 22 F -1.2505309 0.1958733 0.0257461 0.2048173 -1.0725290 0.1627796 0.0516095 0.1850906 -1.4216702 23 F -1.2505309 -0.1958733 0.0257461 -0.2048173 -1.0725290 -0.1627796 0.0516095 -0.1850906 -1.4216702 24 F -1.4945140 0.0000000 0.0097635 -0.0000000 -1.4063604 0.0000000 0.0349814 -0.0000000 -0.8633788 25 F -0.9155280 0.0000000 -0.2251265 -0.0000000 -1.4335985 0.0000000 -0.2270778 -0.0000000 -1.4542291 26 F -1.3840952 0.0328192 0.3445130 0.0155487 -0.8486798 0.0020154 0.3613478 -0.0109545 -1.5046851 27 F -0.8867475 0.1694902 -0.3089503 0.1716193 -1.1167353 0.5656081 -0.3023245 0.5409183 -1.6514411 28 F -1.3840952 -0.0328192 0.3445130 -0.0155487 -0.8486798 -0.0020154 0.3613478 0.0109545 -1.5046851 29 F -1.2505309 0.1958733 0.0257461 0.2048173 -1.0725290 0.1627796 0.0516095 0.1850906 -1.4216702 30 F -1.7384573 0.5245538 0.0116251 0.5206302 -1.0948594 0.0102672 -0.0084729 0.0095009 -0.8393147 31 F -1.0350700 0.0000000 -0.0789364 -0.0000000 -1.7615605 0.0000000 -0.1085902 -0.0000000 -0.9059749 32 F -0.7693829 0.0000000 0.0438491 -0.0000000 -2.1158686 0.0000000 0.0316013 -0.0000000 -0.8258655 33 F -0.8867475 0.1694902 -0.3089503 0.1716193 -1.1167353 0.5656081 -0.3023245 0.5409183 -1.6514411 34 F -1.0350700 0.0000000 -0.0789364 -0.0000000 -1.7615605 0.0000000 -0.1085902 -0.0000000 -0.9059749 35 F -1.4945140 0.0000000 0.0097635 -0.0000000 -1.4063604 0.0000000 0.0349814 -0.0000000 -0.8633788 36 F -1.7384573 0.5245538 0.0116251 0.5206302 -1.0948594 0.0102672 -0.0084729 0.0095009 -0.8393147 37 F -1.3840952 -0.0328192 0.3445130 -0.0155487 -0.8486798 -0.0020154 0.3613478 0.0109545 -1.5046851 38 F -0.9687092 0.0000000 -0.1232683 -0.0000000 -1.7263996 0.0000000 -0.1123061 -0.0000000 -0.9387117 39 F -0.8867475 -0.1694902 -0.3089503 -0.1716193 -1.1167353 -0.5656081 -0.3023245 -0.5409183 -1.6514411 40 F -0.9155280 0.0000000 -0.2251265 -0.0000000 -1.4335985 0.0000000 -0.2270778 -0.0000000 -1.4542291 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] 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: 0.51, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 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 1.893 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.016 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.737 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.523 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.378 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.178 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.775 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.751 ( 0.000 0.000 0.000) 0.000 15.068 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.513 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 10.372 -14.451 1.628) 17.862 0.490 ( 14.970 -18.950 7.740) 25.360 0.851 ( 22.080 -30.229 18.921) 41.944 1.857 ( -4.476 3.810 -0.217) 5.882 1.896 ( 3.252 3.014 -5.826) 7.321 2.018 ( 1.368 0.531 -2.856) 3.211 2.047 ( 2.390 -3.652 -3.496) 5.592 2.146 ( 0.668 1.445 2.939) 3.343 2.261 ( 0.995 -3.064 0.603) 3.277 2.445 ( 2.144 0.053 0.091) 2.146 2.670 ( -0.769 5.542 -0.903) 5.667 2.723 ( 3.544 1.579 1.751) 4.256 2.840 ( 2.663 0.810 -0.084) 2.784 2.960 ( -0.251 -0.019 -3.350) 3.359 3.061 ( 1.292 1.336 2.063) 2.777 3.258 ( -2.550 0.451 -0.496) 2.636 3.310 ( -0.634 2.866 -0.638) 3.004 3.336 ( -3.808 -3.136 1.843) 5.266 3.416 ( 0.457 -2.784 -0.916) 2.967 3.513 ( -1.763 -1.284 -1.081) 2.434 3.537 ( 1.372 2.030 0.604) 2.523 3.689 ( 4.281 -2.278 4.995) 6.961 3.749 ( -0.662 -6.139 -3.564) 7.129 3.819 ( 2.566 -3.230 -0.789) 4.200 3.835 ( 2.762 -4.127 2.991) 5.797 4.046 ( 1.315 -2.267 0.651) 2.700 4.077 ( 2.525 1.877 -3.849) 4.972 4.164 ( -0.539 -4.864 -0.715) 4.946 4.351 ( -4.123 -3.846 -1.934) 5.961 4.369 ( -0.345 -4.358 -4.369) 6.181 4.470 ( -2.539 -1.043 -2.232) 3.538 4.506 ( -0.648 -1.150 -1.035) 1.677 4.616 ( 4.745 4.331 -3.776) 7.452 4.698 ( -0.436 1.951 1.404) 2.443 4.767 ( 3.226 -0.789 0.436) 3.350 4.822 ( 1.576 -2.239 -3.676) 4.584 4.870 ( -0.451 -2.421 6.687) 7.126 4.948 ( -0.648 -6.578 -2.935) 7.232 5.147 ( 2.837 4.175 -3.596) 6.198 5.200 ( -1.151 0.858 -0.063) 1.437 5.249 ( -0.465 6.638 6.074) 9.010 5.298 ( 1.127 2.194 1.256) 2.768 5.401 ( -3.852 -1.512 3.552) 5.453 5.422 ( -3.681 -1.937 1.213) 4.333 5.498 ( 3.346 -3.559 -7.726) 9.141 5.539 ( -0.393 -2.233 2.264) 3.205 5.652 ( -0.265 -2.999 1.535) 3.380 5.678 ( 0.632 2.339 -1.925) 3.094 5.776 ( 0.378 -3.040 -3.421) 4.592 5.835 ( 1.278 2.962 1.903) 3.745 5.864 ( -1.955 2.929 3.753) 5.146 5.960 ( -3.227 0.748 2.186) 3.969 6.042 ( 4.394 3.020 0.702) 5.378 6.145 ( -1.913 -2.147 0.256) 2.887 6.229 ( 0.161 -3.192 -1.145) 3.395 6.383 ( -2.754 5.467 -7.701) 9.838 6.579 ( -1.121 4.831 -0.161) 4.962 6.734 ( -3.003 2.429 -1.246) 4.058 6.782 ( -5.345 1.590 6.798) 8.792 6.893 ( 6.530 1.026 -1.742) 6.836 7.001 ( -4.086 -3.142 -9.171) 10.520 7.080 ( -0.700 1.458 2.286) 2.800 7.206 ( 2.988 -7.750 7.834) 11.418 7.338 ( -0.401 1.226 -0.546) 1.401 7.440 ( -2.448 -9.758 -19.768) 22.181 7.520 ( -4.188 -2.799 -2.649) 5.691 7.622 ( 0.479 -2.276 -1.500) 2.768 7.675 ( -0.382 -1.141 -0.630) 1.358 7.720 ( 1.310 -3.152 1.351) 3.671 7.730 ( 0.314 1.016 1.602) 1.923 7.872 ( -17.810 -6.789 -1.753) 19.141 8.026 ( -1.117 1.738 -1.728) 2.694 8.100 ( -2.866 1.668 3.365) 4.724 8.165 ( 2.145 -1.695 2.490) 3.698 8.264 ( -4.602 2.203 1.757) 5.397 8.428 ( -3.830 -1.982 -6.572) 7.860 8.458 ( -2.916 -0.170 -0.265) 2.933 8.476 ( -0.870 1.664 0.132) 1.882 8.612 ( 2.898 0.028 6.493) 7.111 8.795 ( -0.117 3.956 2.533) 4.699 8.917 ( -1.904 -3.201 -1.720) 4.102 8.968 ( -5.743 0.344 5.682) 8.086 9.242 ( 0.639 3.849 3.174) 5.029 9.354 ( -0.037 2.722 -1.322) 3.027 9.461 ( 12.899 14.679 20.466) 28.297 9.535 ( 6.293 0.361 -2.737) 6.872 9.663 ( 1.164 -2.021 -0.061) 2.333 9.898 ( -0.619 -0.975 0.502) 1.260 10.062 ( 5.986 5.650 -2.861) 8.714 10.113 ( -2.366 3.390 3.354) 5.324 10.132 ( 3.182 4.443 3.347) 6.408 10.243 ( 0.013 -4.465 0.390) 4.482 10.354 ( -0.209 3.084 -2.234) 3.814 10.426 ( -1.844 -0.833 -1.969) 2.823 10.546 ( 1.742 -1.344 -0.382) 2.233 10.638 ( 1.105 -1.169 1.669) 2.318 10.700 ( -4.340 -4.015 2.268) 6.332 10.793 ( -1.713 -0.101 -1.245) 2.120 10.811 ( -4.703 -0.097 -1.991) 5.108 10.930 ( 1.995 1.941 1.153) 3.012 10.993 ( 5.349 -1.901 1.710) 5.929 11.182 ( -6.181 -0.692 3.639) 7.206 11.257 ( 2.440 -2.333 0.331) 3.392 11.417 ( -1.042 4.474 -0.461) 4.617 11.487 ( 1.435 -0.731 0.285) 1.636 11.543 ( 2.395 -0.238 -0.558) 2.471 11.599 ( -0.600 2.736 -0.024) 2.802 11.731 ( -1.724 -1.836 -3.447) 4.269 11.784 ( -0.001 0.846 1.538) 1.755 11.849 ( 4.875 0.201 1.845) 5.217 12.052 ( 1.600 1.574 0.839) 2.396 12.660 ( 0.888 -2.380 -13.905) 14.135 12.804 ( 0.051 -3.301 0.237) 3.310 13.435 ( -3.235 1.047 -2.052) 3.971 13.558 ( -4.752 -2.994 -4.583) 7.249 14.380 ( 16.194 7.675 -1.451) 17.980 14.779 ( 2.210 -2.677 -1.251) 3.690 15.234 ( -0.366 -0.595 -6.196) 6.235 15.530 ( 1.613 -2.831 -4.405) 5.479 15.726 ( -19.705 -1.950 14.273) 24.409 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 8.327 -7.494 -3.524) 11.744 0.944 ( 13.640 -16.876 5.757) 22.449 1.415 ( 12.049 -0.974 17.229) 21.047 1.816 ( -0.725 4.216 -1.435) 4.512 1.891 ( 4.341 -14.554 -1.624) 15.274 1.985 ( 0.682 1.166 -4.035) 4.255 2.146 ( -2.881 -1.402 6.503) 7.250 2.161 ( 9.000 -6.455 -10.792) 15.464 2.296 ( 0.433 1.843 4.015) 4.439 2.479 ( 3.974 1.048 -1.639) 4.425 2.544 ( 1.260 5.627 0.380) 5.779 2.773 ( 5.693 0.393 1.994) 6.045 2.850 ( -0.431 -0.503 -0.165) 0.683 2.942 ( 0.883 1.456 0.131) 1.708 3.020 ( -2.089 2.797 0.511) 3.528 3.238 ( -1.162 0.553 0.619) 1.428 3.267 ( -2.103 -1.541 -3.427) 4.306 3.356 ( 3.139 1.837 2.800) 4.590 3.395 ( -6.834 -2.593 -2.695) 7.791 3.535 ( 1.954 -0.028 0.348) 1.984 3.604 ( 2.313 -4.601 1.006) 5.246 3.705 ( -1.695 -0.154 -1.993) 2.621 3.847 ( 3.586 -4.952 3.162) 6.883 3.914 ( 2.040 -5.403 -1.434) 5.951 4.004 ( -0.235 -3.131 -1.674) 3.558 4.058 ( 4.406 -9.452 1.723) 10.570 4.170 ( 2.878 -6.826 -4.229) 8.530 4.210 ( 3.031 -1.489 -2.298) 4.085 4.304 ( -4.323 -2.369 -1.614) 5.187 4.418 ( -0.316 -2.814 -2.994) 4.121 4.501 ( -0.081 0.970 0.945) 1.357 4.526 ( -1.970 -4.456 -0.091) 4.873 4.589 ( 4.105 3.702 1.126) 5.642 4.692 ( 1.328 -0.829 2.752) 3.166 4.758 ( -1.841 0.953 -5.688) 6.054 4.876 ( 4.170 -4.408 -1.990) 6.386 4.935 ( -1.006 -1.481 7.467) 7.678 5.024 ( 3.407 -1.286 -1.779) 4.053 5.081 ( -3.887 1.315 -3.012) 5.090 5.140 ( -3.826 4.352 -0.712) 5.838 5.216 ( 1.079 1.068 1.750) 2.317 5.299 ( 2.569 -0.322 1.429) 2.957 5.389 ( -4.412 2.730 1.155) 5.315 5.407 ( -3.027 -2.502 3.081) 4.992 5.535 ( -3.826 -3.788 -3.846) 6.617 5.557 ( -0.358 -2.763 -2.449) 3.709 5.630 ( -2.003 1.282 -2.238) 3.265 5.688 ( -0.006 -0.224 -2.596) 2.606 5.759 ( -0.014 4.973 -1.934) 5.336 5.839 ( -1.291 1.818 5.940) 6.344 5.857 ( 3.572 -4.424 0.485) 5.707 5.960 ( -0.509 0.175 0.106) 0.549 5.996 ( 0.377 4.627 0.718) 4.698 6.185 ( -2.610 -2.886 2.373) 4.557 6.253 ( 3.968 1.642 -5.521) 6.995 6.301 ( 0.469 -2.801 1.706) 3.313 6.462 ( -1.496 7.104 -0.400) 7.271 6.626 ( -0.226 9.431 4.882) 10.622 6.769 ( -3.152 0.686 0.064) 3.227 6.921 ( 0.854 -1.212 2.785) 3.155 6.942 ( -3.931 -2.720 -9.509) 10.643 7.060 ( -1.133 1.429 1.101) 2.131 7.290 ( -0.845 4.771 0.043) 4.845 7.374 ( -1.274 -2.678 7.334) 7.911 7.448 ( -1.259 -6.002 -11.760) 13.263 7.541 ( 1.004 -2.240 3.763) 4.493 7.616 ( -1.582 0.378 -2.488) 2.973 7.684 ( -1.300 -0.589 0.944) 1.711 7.744 ( 3.442 -1.486 -1.119) 3.913 7.806 ( 2.471 -2.351 0.857) 3.516 7.853 ( -5.535 -7.681 -0.937) 9.514 7.949 ( -4.502 2.833 -1.004) 5.413 8.096 ( 1.599 0.948 1.218) 2.223 8.164 ( -4.796 3.046 2.512) 6.212 8.256 ( 1.976 -2.467 2.263) 3.888 8.370 ( -3.205 -0.269 -3.691) 4.896 8.409 ( -1.920 3.426 0.150) 3.930 8.512 ( -1.861 -6.172 0.402) 6.459 8.638 ( 5.489 4.168 1.810) 7.126 8.723 ( -1.427 6.145 1.919) 6.594 8.934 ( -5.658 0.054 1.612) 5.884 8.936 ( -1.218 -0.785 -0.909) 1.711 9.199 ( -0.360 4.086 3.727) 5.543 9.279 ( -1.180 4.242 -2.185) 4.916 9.476 ( 6.711 5.720 8.270) 12.089 9.564 ( -0.213 -2.586 -4.626) 5.304 9.720 ( 2.371 -3.300 0.052) 4.064 9.914 ( 0.061 -1.050 0.720) 1.274 10.026 ( 1.653 1.819 -1.666) 2.969 10.057 ( -3.007 2.525 3.041) 4.967 10.095 ( 2.711 4.291 -0.421) 5.092 10.291 ( -0.506 2.295 -0.247) 2.363 10.311 ( -0.213 -3.053 -0.245) 3.070 10.418 ( -1.154 -1.738 -2.869) 3.547 10.561 ( -0.244 -0.427 -1.770) 1.837 10.682 ( 1.245 -1.597 -0.856) 2.198 10.712 ( -5.418 -1.574 2.762) 6.282 10.765 ( -2.549 -0.394 -3.065) 4.006 10.813 ( -0.535 -3.562 0.259) 3.611 10.920 ( 3.307 2.984 1.539) 4.712 11.064 ( 2.349 -1.315 1.020) 2.879 11.168 ( -3.003 0.363 3.542) 4.658 11.327 ( 4.438 0.936 1.183) 4.687 11.342 ( 0.424 0.782 -0.576) 1.060 11.499 ( -1.409 1.301 0.036) 1.918 11.544 ( 3.127 -0.094 0.182) 3.134 11.589 ( -0.131 -0.706 0.985) 1.219 11.726 ( 0.189 -1.203 -4.739) 4.893 11.784 ( -0.666 0.525 2.937) 3.057 11.882 ( 3.972 1.681 0.603) 4.355 12.048 ( 0.764 0.983 1.557) 1.993 12.610 ( -0.785 0.419 -6.548) 6.608 12.869 ( -0.149 -4.108 0.464) 4.137 13.364 ( -3.208 2.178 -2.087) 4.403 13.525 ( -0.413 1.882 -1.362) 2.360 14.398 ( 6.773 2.554 0.621) 7.265 14.851 ( 3.206 -4.079 -1.217) 5.329 15.189 ( -0.623 3.547 0.897) 3.712 15.562 ( 2.133 -3.053 -7.599) 8.463 15.661 ( -10.532 1.417 8.995) 13.923 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 5.229 2.695 -7.185) 9.286 1.314 ( 10.119 -12.132 3.849) 16.260 1.511 ( 4.164 1.771 10.893) 11.795 1.722 ( -2.221 4.393 -0.640) 4.964 1.948 ( -0.404 -0.533 -5.970) 6.007 2.114 ( -3.400 -4.311 3.808) 6.682 2.175 ( 4.423 -3.373 -4.155) 6.943 2.228 ( -1.872 3.602 2.991) 5.042 2.317 ( 1.479 3.148 -1.345) 3.729 2.453 ( 8.686 -5.067 -2.521) 10.367 2.618 ( 6.104 -2.756 2.810) 7.263 2.777 ( -0.429 3.160 -1.316) 3.450 2.878 ( 3.083 -1.415 4.438) 5.586 2.909 ( -2.011 2.218 2.410) 3.843 3.018 ( 2.293 -1.963 -2.749) 4.083 3.197 ( -4.418 1.204 0.201) 4.584 3.268 ( 1.043 0.108 -1.299) 1.669 3.374 ( -5.645 -5.506 -1.769) 8.081 3.408 ( 4.229 -0.155 1.747) 4.578 3.571 ( 1.213 -1.331 0.639) 1.911 3.652 ( -0.143 -1.325 -0.323) 1.372 3.706 ( 1.967 -1.997 0.039) 2.803 3.923 ( -1.786 -0.570 -2.280) 2.951 3.986 ( 2.333 -3.200 2.752) 4.822 4.061 ( -2.020 -5.488 -1.604) 6.063 4.202 ( 1.834 -3.148 -3.984) 5.399 4.267 ( 5.669 -7.400 -0.786) 9.355 4.310 ( 5.128 -3.751 -0.087) 6.354 4.352 ( -0.677 -6.599 -1.812) 6.877 4.413 ( -2.069 5.957 0.441) 6.321 4.487 ( 1.476 -4.297 -5.141) 6.861 4.525 ( 1.000 3.180 4.035) 5.233 4.583 ( 0.464 1.486 5.047) 5.281 4.661 ( -3.454 0.353 -5.189) 6.243 4.806 ( 3.334 -2.604 0.798) 4.305 4.920 ( -3.000 4.362 -1.995) 5.657 4.967 ( -1.949 1.890 1.372) 3.042 5.004 ( -3.341 -0.251 3.171) 4.613 5.015 ( 1.719 -0.247 -0.435) 1.790 5.068 ( 0.770 0.243 0.464) 0.931 5.210 ( 1.071 2.239 -0.620) 2.559 5.346 ( -1.143 -0.228 2.078) 2.382 5.372 ( -3.247 -5.721 1.705) 6.796 5.460 ( -1.208 -2.451 3.811) 4.689 5.481 ( -2.120 0.935 -1.515) 2.768 5.571 ( -2.281 -0.778 -5.005) 5.555 5.610 ( 0.720 -0.780 -2.646) 2.851 5.644 ( -2.613 1.267 -2.979) 4.160 5.696 ( 0.374 0.403 0.837) 1.001 5.833 ( 2.944 3.304 -0.215) 4.431 5.862 ( -1.276 2.676 0.794) 3.069 5.948 ( -0.849 3.146 3.562) 4.827 6.008 ( 2.886 -5.615 -7.744) 9.991 6.183 ( -2.779 -0.028 0.061) 2.780 6.283 ( 4.569 1.090 1.440) 4.913 6.324 ( -1.511 -0.053 0.065) 1.513 6.413 ( 2.085 -0.886 1.372) 2.648 6.517 ( -2.313 7.064 7.053) 10.247 6.709 ( -0.803 2.895 -1.469) 3.344 6.921 ( -0.271 -3.058 -6.949) 7.596 6.975 ( -2.068 -2.476 4.738) 5.733 7.027 ( -0.040 1.545 -1.647) 2.259 7.181 ( -2.122 6.005 -0.240) 6.373 7.398 ( -1.660 -0.547 4.361) 4.698 7.455 ( -0.503 -3.392 -6.502) 7.351 7.565 ( -1.633 0.065 -3.494) 3.857 7.592 ( 0.064 3.664 4.748) 5.997 7.705 ( -0.930 -2.664 0.173) 2.827 7.789 ( 2.196 -0.315 -1.854) 2.891 7.858 ( 0.184 -1.722 1.976) 2.627 7.889 ( -0.275 -0.381 1.841) 1.900 7.970 ( -0.963 -7.888 -1.222) 8.040 8.097 ( -3.660 -0.429 2.050) 4.216 8.107 ( 2.294 1.351 -0.841) 2.792 8.276 ( 2.077 2.951 -1.153) 3.789 8.320 ( -2.697 3.251 -1.054) 4.354 8.415 ( -1.195 -5.786 3.757) 7.002 8.595 ( -1.461 0.655 1.338) 2.087 8.618 ( 3.002 4.740 -1.078) 5.713 8.633 ( 1.164 -2.017 1.841) 2.968 8.893 ( -0.333 4.692 -1.884) 5.067 8.893 ( -5.136 -0.514 1.166) 5.292 9.159 ( 0.173 3.219 2.008) 3.798 9.190 ( -1.756 2.860 -2.373) 4.111 9.499 ( 4.155 3.023 5.804) 7.751 9.554 ( -1.337 -2.286 -6.916) 7.405 9.798 ( 1.567 -3.598 0.639) 3.976 9.947 ( 0.157 -1.607 2.215) 2.741 9.973 ( -1.734 3.535 1.077) 4.082 10.031 ( -0.044 1.207 -2.223) 2.530 10.069 ( 0.849 -0.040 -0.308) 0.904 10.252 ( 0.323 2.134 0.498) 2.215 10.362 ( -0.026 -3.116 1.395) 3.414 10.423 ( -1.064 -1.954 -2.233) 3.153 10.525 ( -1.281 2.518 -2.665) 3.884 10.682 ( -1.788 -0.526 0.072) 1.865 10.701 ( -0.457 1.569 0.612) 1.745 10.762 ( -1.250 -3.062 -3.363) 4.716 10.869 ( -1.103 -2.754 3.489) 4.580 10.922 ( 3.991 1.397 -0.646) 4.277 11.085 ( -0.061 0.247 0.286) 0.383 11.155 ( -1.601 1.097 2.745) 3.362 11.294 ( 0.559 0.912 -1.295) 1.680 11.413 ( 4.758 -0.916 0.680) 4.893 11.461 ( -1.564 1.417 1.442) 2.556 11.590 ( 2.885 -0.987 0.170) 3.054 11.613 ( -0.937 -1.873 2.075) 2.948 11.708 ( 0.315 0.282 -4.356) 4.377 11.791 ( -0.857 0.034 2.563) 2.702 11.878 ( 2.170 1.881 -0.759) 2.970 12.054 ( 0.507 0.246 1.261) 1.381 12.563 ( -0.771 0.598 -2.956) 3.113 12.923 ( -0.337 -2.493 0.402) 2.548 13.298 ( -1.677 1.784 -1.221) 2.736 13.484 ( 0.215 2.028 -0.565) 2.116 14.421 ( 2.887 0.684 0.691) 3.046 14.940 ( 2.832 -4.119 -0.395) 5.014 15.127 ( -0.896 4.046 1.072) 4.280 15.540 ( -1.857 0.449 -4.209) 4.622 15.644 ( -2.239 -0.577 4.038) 4.653 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 -0.000 0.000) 0.000 1.504 ( 0.000 -0.000 0.000) 0.000 1.552 ( 0.000 -0.000 -0.000) 0.000 1.661 ( 0.000 -0.000 0.000) 0.000 1.929 ( 0.000 -0.000 0.000) 0.000 2.117 ( 0.000 -0.000 -0.000) 0.000 2.191 ( 0.000 -0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 -0.000 0.000) 0.000 2.559 ( 0.000 -0.000 0.000) 0.000 2.683 ( 0.000 -0.000 0.000) 0.000 2.724 ( 0.000 -0.000 0.000) 0.000 2.888 ( 0.000 -0.000 -0.000) 0.000 2.941 ( 0.000 -0.000 0.000) 0.000 3.034 ( -0.000 -0.000 0.000) 0.000 3.160 ( 0.000 -0.000 -0.000) 0.000 3.265 ( 0.000 -0.000 0.000) 0.000 3.391 ( 0.000 -0.000 0.000) 0.000 3.451 ( -0.000 -0.000 -0.000) 0.000 3.563 ( 0.000 -0.000 0.000) 0.000 3.685 ( 0.000 -0.000 0.000) 0.000 3.775 ( 0.000 -0.000 0.000) 0.000 3.906 ( 0.000 -0.000 0.000) 0.000 3.971 ( 0.000 -0.000 0.000) 0.000 4.136 ( 0.000 -0.000 0.000) 0.000 4.257 ( 0.000 -0.000 0.000) 0.000 4.299 ( 0.000 -0.000 0.000) 0.000 4.356 ( 0.000 -0.000 -0.000) 0.000 4.390 ( 0.000 -0.000 0.000) 0.000 4.403 ( 0.000 -0.000 -0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 -0.000 0.000) 0.000 4.599 ( 0.000 -0.000 0.000) 0.000 4.650 ( 0.000 -0.000 0.000) 0.000 4.805 ( 0.000 -0.000 -0.000) 0.000 4.824 ( 0.000 -0.000 0.000) 0.000 4.926 ( 0.000 -0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 -0.000 0.000) 0.000 5.088 ( 0.000 -0.000 0.000) 0.000 5.185 ( 0.000 -0.000 0.000) 0.000 5.363 ( -0.000 -0.000 -0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.482 ( -0.000 -0.000 -0.000) 0.000 5.548 ( 0.000 -0.000 0.000) 0.000 5.600 ( 0.000 -0.000 -0.000) 0.000 5.628 ( 0.000 -0.000 0.000) 0.000 5.704 ( 0.000 -0.000 0.000) 0.000 5.804 ( 0.000 -0.000 0.000) 0.000 5.843 ( 0.000 -0.000 0.000) 0.000 5.931 ( 0.000 -0.000 0.000) 0.000 6.025 ( -0.000 -0.000 0.000) 0.000 6.168 ( 0.000 -0.000 -0.000) 0.000 6.294 ( 0.000 -0.000 0.000) 0.000 6.333 ( 0.000 -0.000 -0.000) 0.000 6.454 ( -0.000 -0.000 0.000) 0.000 6.458 ( 0.000 -0.000 0.000) 0.000 6.675 ( 0.000 -0.000 0.000) 0.000 6.925 ( 0.000 -0.000 0.000) 0.000 6.998 ( 0.000 -0.000 -0.000) 0.000 7.010 ( -0.000 -0.000 0.000) 0.000 7.114 ( 0.000 -0.000 0.000) 0.000 7.438 ( 0.000 -0.000 -0.000) 0.000 7.456 ( 0.000 -0.000 0.000) 0.000 7.537 ( 0.000 -0.000 -0.000) 0.000 7.549 ( 0.000 -0.000 0.000) 0.000 7.733 ( 0.000 -0.000 0.000) 0.000 7.780 ( 0.000 -0.000 0.000) 0.000 7.872 ( -0.000 -0.000 0.000) 0.000 7.941 ( 0.000 -0.000 0.000) 0.000 7.990 ( -0.000 -0.000 -0.000) 0.000 8.105 ( 0.000 -0.000 0.000) 0.000 8.155 ( 0.000 -0.000 0.000) 0.000 8.208 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 -0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 -0.000 -0.000) 0.000 8.578 ( 0.000 -0.000 0.000) 0.000 8.736 ( 0.000 0.000 -0.000) 0.000 8.791 ( 0.000 -0.000 0.000) 0.000 8.881 ( 0.000 -0.000 0.000) 0.000 9.130 ( 0.000 -0.000 0.000) 0.000 9.155 ( 0.000 -0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 -0.000 -0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 -0.000 0.000) 0.000 9.978 ( 0.000 -0.000 -0.000) 0.000 10.004 ( 0.000 -0.000 0.000) 0.000 10.076 ( 0.000 -0.000 0.000) 0.000 10.237 ( 0.000 -0.000 0.000) 0.000 10.420 ( 0.000 -0.000 0.000) 0.000 10.430 ( -0.000 -0.000 -0.000) 0.000 10.454 ( 0.000 0.000 -0.000) 0.000 10.680 ( -0.000 -0.000 0.000) 0.000 10.686 ( 0.000 0.000 -0.000) 0.000 10.770 ( 0.000 -0.000 0.000) 0.000 10.911 ( -0.000 -0.000 0.000) 0.000 10.921 ( 0.000 0.000 -0.000) 0.000 11.077 ( 0.000 -0.000 0.000) 0.000 11.147 ( 0.000 -0.000 0.000) 0.000 11.288 ( 0.000 -0.000 -0.000) 0.000 11.435 ( 0.000 -0.000 -0.000) 0.000 11.456 ( -0.000 -0.000 0.000) 0.000 11.612 ( 0.000 -0.000 0.000) 0.000 11.644 ( 0.000 -0.000 0.000) 0.000 11.681 ( 0.000 -0.000 0.000) 0.000 11.796 ( 0.000 -0.000 0.000) 0.000 11.866 ( 0.000 -0.000 0.000) 0.000 12.059 ( 0.000 -0.000 0.000) 0.000 12.546 ( 0.000 -0.000 0.000) 0.000 12.943 ( 0.000 -0.000 -0.000) 0.000 13.272 ( 0.000 -0.000 0.000) 0.000 13.466 ( 0.000 -0.000 0.000) 0.000 14.431 ( 0.000 -0.000 0.000) 0.000 15.000 ( 0.000 -0.000 0.000) 0.000 15.079 ( 0.000 -0.000 0.000) 0.000 15.510 ( 0.000 -0.000 0.000) 0.000 15.655 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 18.950 -0.000 15.383) 24.408 0.599 ( 23.545 -0.000 13.479) 27.130 0.989 ( 36.514 -0.000 25.330) 44.440 1.866 ( -1.390 0.000 -2.945) 3.257 1.901 ( 2.118 -0.000 -7.826) 8.108 1.983 ( 8.695 -0.000 -6.716) 10.986 2.051 ( 1.038 -0.000 1.107) 1.518 2.184 ( -1.705 0.000 -3.865) 4.224 2.243 ( 5.937 -0.000 4.347) 7.358 2.461 ( 2.903 -0.000 -0.503) 2.947 2.741 ( 5.362 -0.000 0.192) 5.366 2.744 ( -2.218 0.000 0.896) 2.392 2.922 ( 1.137 -0.000 -2.072) 2.363 2.933 ( 3.846 -0.000 -3.906) 5.482 3.062 ( -1.049 0.000 2.722) 2.918 3.232 ( -2.998 0.000 0.652) 3.068 3.265 ( -4.259 0.000 0.905) 4.354 3.309 ( -3.454 0.000 1.607) 3.809 3.420 ( 0.645 -0.000 2.013) 2.114 3.563 ( -0.984 0.000 2.758) 2.929 3.567 ( 1.486 -0.000 -3.463) 3.769 3.629 ( 3.221 -0.000 1.241) 3.452 3.734 ( 2.527 -0.000 3.215) 4.089 3.819 ( 4.971 -0.000 -2.196) 5.434 3.862 ( 3.211 -0.000 -0.146) 3.214 3.994 ( -0.296 0.000 -5.412) 5.420 4.121 ( 1.159 -0.000 1.600) 1.976 4.197 ( -2.179 0.000 -1.334) 2.555 4.236 ( 9.603 -0.000 -8.754) 12.994 4.300 ( 2.002 -0.000 -0.027) 2.002 4.391 ( -4.175 0.000 -7.859) 8.899 4.451 ( -1.967 0.000 -3.421) 3.946 4.641 ( 1.169 -0.000 -3.946) 4.115 4.758 ( 1.432 -0.000 -0.977) 1.734 4.783 ( 0.705 -0.000 3.737) 3.802 4.819 ( 2.335 -0.000 -8.169) 8.496 4.861 ( 4.335 -0.000 4.930) 6.565 4.923 ( 2.674 -0.000 8.391) 8.807 5.173 ( -2.035 0.000 -3.515) 4.061 5.186 ( -3.212 0.000 -2.662) 4.171 5.321 ( -2.651 0.000 6.214) 6.756 5.346 ( -1.828 0.000 -0.699) 1.957 5.372 ( -4.083 0.000 2.415) 4.743 5.400 ( -1.561 0.000 -1.587) 2.226 5.478 ( 2.812 -0.000 4.868) 5.622 5.602 ( -0.358 0.000 0.701) 0.787 5.669 ( -0.357 0.000 -4.475) 4.490 5.691 ( -0.354 0.000 -1.767) 1.802 5.720 ( 1.350 -0.000 -3.766) 4.001 5.811 ( -2.480 0.000 -3.539) 4.322 5.868 ( -2.075 0.000 -2.629) 3.350 5.939 ( 1.319 -0.000 8.496) 8.598 6.101 ( 2.393 -0.000 4.482) 5.081 6.102 ( -3.100 0.000 -0.426) 3.129 6.197 ( -0.354 0.000 -0.019) 0.354 6.272 ( 1.302 -0.000 -3.844) 4.059 6.607 ( -2.931 0.000 -1.152) 3.149 6.711 ( -3.036 0.000 -6.564) 7.232 6.715 ( 0.879 -0.000 -8.706) 8.750 6.931 ( 2.936 -0.000 0.947) 3.085 6.982 ( -1.433 0.000 -2.113) 2.554 7.035 ( -1.441 0.000 0.953) 1.728 7.111 ( -3.597 0.000 4.187) 5.520 7.214 ( 2.148 -0.000 11.289) 11.491 7.359 ( -1.535 0.000 1.390) 2.071 7.508 ( -1.624 0.000 4.351) 4.644 7.598 ( -1.515 0.000 -2.138) 2.621 7.683 ( 1.948 -0.000 -0.446) 1.999 7.690 ( -1.357 0.000 1.464) 1.997 7.750 ( 0.097 -0.000 1.817) 1.819 7.783 ( -1.036 0.000 3.519) 3.668 8.013 ( -2.950 0.000 -2.704) 4.002 8.108 ( -2.877 0.000 4.466) 5.313 8.202 ( 1.460 -0.000 5.393) 5.588 8.257 ( -1.366 0.000 -2.160) 2.556 8.347 ( -1.532 0.000 -6.946) 7.113 8.458 ( -0.821 0.000 -0.008) 0.821 8.469 ( -3.303 0.000 0.464) 3.335 8.690 ( 3.215 -0.000 9.665) 10.185 8.828 ( -0.619 0.000 2.674) 2.745 8.831 ( -4.541 0.000 -4.093) 6.114 8.957 ( -4.591 0.000 1.758) 4.916 9.278 ( -0.878 0.000 2.490) 2.640 9.372 ( 0.696 -0.000 -1.955) 2.075 9.504 ( -0.401 0.000 0.892) 0.978 9.637 ( -0.183 0.000 -0.158) 0.242 9.790 ( -4.852 0.000 3.152) 5.786 9.862 ( 0.188 -0.000 0.297) 0.351 10.094 ( -0.711 0.000 -4.978) 5.029 10.145 ( -3.876 0.000 2.774) 4.766 10.202 ( 0.970 -0.000 0.464) 1.075 10.257 ( -3.671 0.000 -2.087) 4.223 10.404 ( 2.859 -0.000 -3.021) 4.159 10.496 ( -4.071 0.000 -1.257) 4.260 10.542 ( 2.405 -0.000 -1.335) 2.750 10.628 ( 0.305 -0.000 -2.703) 2.720 10.653 ( -6.843 0.000 14.482) 16.017 10.686 ( -9.381 0.000 -3.043) 9.862 10.853 ( 2.029 -0.000 1.655) 2.618 10.977 ( -4.244 0.000 5.228) 6.734 10.992 ( 2.759 -0.000 3.966) 4.831 11.115 ( 4.588 -0.000 -1.239) 4.753 11.236 ( 3.357 -0.000 -2.004) 3.910 11.426 ( -4.436 0.000 0.668) 4.486 11.485 ( 0.583 -0.000 0.148) 0.602 11.596 ( 3.481 -0.000 -2.076) 4.053 11.624 ( 0.565 -0.000 -0.874) 1.040 11.655 ( -4.443 0.000 -3.045) 5.386 11.805 ( 1.691 -0.000 0.377) 1.732 11.908 ( 7.379 -0.000 0.816) 7.424 12.100 ( -0.859 0.000 2.364) 2.515 12.562 ( 15.486 -0.000 -17.726) 23.537 12.777 ( 0.081 -0.000 0.244) 0.258 13.419 ( -0.060 0.000 -0.287) 0.293 13.477 ( 1.125 -0.000 0.018) 1.125 14.648 ( 17.392 -0.000 -19.809) 26.361 14.778 ( 4.414 -0.000 -1.495) 4.660 15.078 ( 0.811 -0.000 0.303) 0.865 15.516 ( 0.889 -0.000 -0.728) 1.149 15.640 ( -20.922 0.000 26.477) 33.745 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 18.465 2.561 12.378) 22.378 0.951 ( 20.492 -8.153 10.826) 24.569 1.575 ( 24.727 -11.335 20.761) 34.219 1.802 ( 3.143 1.011 -5.876) 6.740 1.863 ( 1.129 1.198 -2.843) 3.285 2.013 ( 2.303 4.158 -5.344) 7.152 2.074 ( 9.098 -4.975 -8.196) 13.217 2.150 ( -2.763 0.220 0.910) 2.917 2.343 ( 5.345 -1.427 3.966) 6.807 2.496 ( 3.702 -1.315 -1.590) 4.238 2.652 ( -0.752 6.934 0.445) 6.989 2.828 ( 5.983 -1.880 0.312) 6.279 2.879 ( 1.491 3.202 -0.305) 3.545 2.942 ( 1.436 -0.491 -2.016) 2.524 3.053 ( -4.255 1.985 1.581) 4.954 3.224 ( -4.230 1.563 -2.592) 5.201 3.231 ( -0.122 -0.921 0.977) 1.349 3.319 ( -3.642 -2.405 4.613) 6.350 3.403 ( 0.204 4.991 -0.685) 5.042 3.520 ( 2.587 -5.147 0.844) 5.822 3.627 ( 1.063 -0.460 3.630) 3.810 3.697 ( 2.381 2.446 -2.757) 4.388 3.793 ( 2.438 -4.587 1.069) 5.303 3.875 ( 5.342 -4.487 -2.102) 7.286 3.920 ( 2.974 -6.075 0.766) 6.807 4.017 ( -0.973 -1.094 -3.382) 3.685 4.056 ( 3.162 -0.411 -5.605) 6.449 4.211 ( -0.492 -2.456 1.349) 2.845 4.280 ( 5.331 0.255 -4.110) 6.736 4.352 ( 0.455 -2.285 -4.337) 4.923 4.387 ( -0.008 -7.922 -1.859) 8.137 4.445 ( -2.141 -4.171 -3.884) 6.088 4.642 ( -0.238 -1.491 2.706) 3.098 4.738 ( 1.133 4.277 -0.653) 4.472 4.769 ( 2.549 0.323 -0.793) 2.689 4.829 ( 2.769 -1.346 -4.086) 5.116 4.958 ( 0.401 -2.856 3.594) 4.608 5.011 ( 3.048 0.021 3.274) 4.473 5.078 ( -0.933 2.211 -2.382) 3.381 5.143 ( -3.691 1.164 -2.505) 4.610 5.287 ( -1.757 4.692 1.637) 5.271 5.306 ( -1.358 1.319 -1.195) 2.238 5.361 ( -5.315 -2.843 3.343) 6.893 5.378 ( -4.262 -0.666 3.978) 5.868 5.474 ( 2.001 3.940 -2.562) 5.107 5.558 ( 0.654 1.450 -0.501) 1.668 5.637 ( -0.249 3.601 -2.385) 4.326 5.652 ( -0.837 -2.307 1.905) 3.107 5.757 ( 0.908 -3.805 -1.449) 4.171 5.804 ( -2.374 1.907 -4.736) 5.630 5.911 ( -0.710 -2.118 5.299) 5.750 5.988 ( -2.346 -0.200 5.169) 5.680 6.051 ( 0.097 2.386 -2.079) 3.167 6.142 ( -2.335 -1.533 4.491) 5.289 6.226 ( 1.095 -2.164 -4.305) 4.941 6.282 ( 2.646 -2.416 -2.021) 4.114 6.540 ( -0.967 3.617 -2.142) 4.314 6.653 ( -2.945 -3.230 -1.717) 4.696 6.769 ( -1.900 -5.703 -7.640) 9.721 6.862 ( -3.912 8.981 4.840) 10.927 6.952 ( 1.501 0.877 0.474) 1.802 7.070 ( -1.891 0.553 -0.836) 2.141 7.137 ( -3.301 -11.043 -4.002) 12.201 7.334 ( 0.550 0.876 -0.783) 1.297 7.370 ( -3.103 -4.492 8.457) 10.066 7.530 ( -3.171 -2.015 5.921) 7.012 7.552 ( -4.515 -0.935 -3.946) 6.069 7.688 ( 1.899 0.652 1.029) 2.256 7.736 ( 1.366 -3.302 -0.073) 3.574 7.762 ( 0.266 0.139 3.132) 3.146 7.818 ( 2.714 -0.634 2.173) 3.534 7.940 ( -4.458 1.919 -1.936) 5.225 8.124 ( 0.391 -0.750 2.765) 2.892 8.213 ( -1.794 2.748 -0.763) 3.369 8.252 ( 0.138 -1.562 4.535) 4.799 8.314 ( 0.333 -0.470 -5.678) 5.707 8.406 ( -3.928 1.292 0.396) 4.154 8.459 ( -1.289 -0.096 0.530) 1.398 8.715 ( -3.069 1.793 -0.477) 3.586 8.772 ( 2.594 2.988 0.415) 3.979 8.897 ( -1.285 -4.706 4.672) 6.755 8.913 ( -4.751 1.071 0.649) 4.913 9.268 ( -1.342 2.282 3.272) 4.208 9.327 ( -0.102 4.099 -2.762) 4.944 9.511 ( 0.110 -0.841 -1.476) 1.702 9.646 ( -0.467 1.827 1.660) 2.513 9.705 ( -0.050 2.481 1.502) 2.900 9.888 ( -0.872 -1.829 0.085) 2.028 10.041 ( -1.019 1.174 -3.336) 3.680 10.096 ( -3.704 3.077 2.565) 5.456 10.208 ( -3.326 -2.770 -2.385) 4.942 10.249 ( 1.616 5.862 -1.884) 6.366 10.283 ( 1.456 2.186 -1.487) 3.018 10.459 ( 1.369 3.029 0.608) 3.379 10.543 ( 0.036 0.028 -1.656) 1.657 10.608 ( -7.252 -2.651 -1.726) 7.912 10.657 ( 1.955 -3.416 -3.644) 5.364 10.701 ( -2.057 -2.186 6.035) 6.740 10.825 ( 0.661 2.602 1.299) 2.982 11.006 ( 1.869 1.369 1.471) 2.744 11.056 ( 0.198 -2.681 3.267) 4.231 11.156 ( -0.457 -1.115 1.331) 1.796 11.290 ( 1.749 -4.526 -3.533) 6.003 11.365 ( -2.726 2.163 -0.673) 3.544 11.501 ( -0.046 -0.281 0.319) 0.428 11.564 ( -1.287 1.298 -1.120) 2.144 11.612 ( 3.268 0.442 -1.103) 3.477 11.661 ( -0.775 -2.271 -2.468) 3.442 11.819 ( 2.102 0.870 0.862) 2.433 11.962 ( 6.139 2.104 0.996) 6.565 12.092 ( -0.301 1.638 2.905) 3.349 12.592 ( 6.180 0.519 -5.936) 8.585 12.810 ( -0.039 -3.363 0.643) 3.424 13.379 ( -0.580 3.168 -0.469) 3.255 13.516 ( 0.364 -1.604 -0.664) 1.774 14.572 ( 10.199 9.101 -3.873) 14.207 14.834 ( 5.624 -1.989 -0.739) 6.011 15.172 ( -0.312 -5.443 -2.067) 5.831 15.504 ( -0.304 0.545 -1.779) 1.885 15.629 ( -11.968 -1.103 12.461) 17.312 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 15.224 9.786 5.423) 18.894 1.309 ( 16.892 -8.233 7.305) 20.161 1.683 ( 2.376 6.427 7.776) 10.365 1.789 ( 1.491 3.383 -3.688) 5.222 1.919 ( 2.918 1.911 -9.065) 9.713 2.058 ( 2.192 -1.558 2.359) 3.577 2.156 ( 7.128 -2.549 -2.410) 7.944 2.228 ( 4.741 -8.679 2.580) 10.221 2.385 ( 1.020 4.889 3.514) 6.106 2.478 ( 1.587 2.424 -1.602) 3.311 2.657 ( 8.245 -2.613 2.097) 8.900 2.814 ( 0.509 4.146 -2.453) 4.844 2.914 ( 2.238 -1.198 3.581) 4.389 2.963 ( -1.136 0.693 2.463) 2.800 2.987 ( 0.106 0.114 -1.392) 1.400 3.151 ( -2.503 0.471 -1.932) 3.198 3.234 ( -2.210 0.064 -1.446) 2.642 3.292 ( -1.946 -0.380 0.990) 2.216 3.456 ( 2.789 -4.171 3.158) 5.929 3.590 ( 0.356 -0.141 2.391) 2.421 3.644 ( 2.680 2.827 -2.816) 4.806 3.677 ( 1.141 -3.015 0.133) 3.227 3.889 ( 0.193 -3.085 -0.121) 3.094 3.947 ( 1.832 -3.770 -0.900) 4.288 3.984 ( -0.793 -0.040 1.253) 1.484 4.076 ( 3.625 -8.877 -8.490) 12.807 4.173 ( 5.672 -9.651 -1.118) 11.250 4.271 ( 2.279 -3.969 1.112) 4.710 4.322 ( 2.714 -2.347 -1.471) 3.878 4.373 ( 2.271 -2.737 -4.220) 5.519 4.451 ( -3.351 -1.560 -2.084) 4.243 4.497 ( -1.262 -6.736 -0.021) 6.854 4.671 ( 2.725 5.165 0.785) 5.892 4.700 ( 3.092 5.507 -3.371) 7.159 4.785 ( 2.786 -4.479 5.220) 7.421 4.875 ( 0.437 -5.773 -4.010) 7.043 4.937 ( -7.478 1.323 0.018) 7.595 4.990 ( -3.966 2.481 -1.132) 4.814 5.060 ( 2.812 0.206 0.903) 2.961 5.108 ( 1.652 1.406 -0.025) 2.169 5.256 ( -0.798 2.827 3.237) 4.371 5.290 ( -2.173 -2.034 -0.744) 3.068 5.340 ( -6.674 0.796 3.043) 7.377 5.388 ( -1.518 -2.193 1.991) 3.328 5.478 ( -0.699 -3.629 0.926) 3.810 5.514 ( 0.166 1.269 -0.968) 1.605 5.595 ( -0.492 0.353 -0.520) 0.798 5.646 ( -1.783 4.250 -4.212) 6.243 5.717 ( -0.317 0.653 -0.612) 0.950 5.811 ( -2.548 -4.329 -3.962) 6.397 5.885 ( -5.244 3.499 3.699) 7.309 5.963 ( 4.798 2.994 -1.578) 5.871 6.057 ( 3.055 1.386 0.519) 3.395 6.156 ( -2.746 -0.411 1.326) 3.077 6.283 ( 4.157 -4.236 0.344) 5.945 6.351 ( 0.385 -0.789 3.519) 3.627 6.459 ( 1.820 4.022 0.711) 4.471 6.668 ( -1.347 3.133 1.255) 3.634 6.721 ( -3.301 4.529 2.041) 5.965 6.781 ( -1.084 -5.112 -8.260) 9.775 6.958 ( -2.189 -0.802 3.437) 4.153 7.038 ( -0.156 1.361 -0.877) 1.627 7.258 ( -2.676 -2.980 -3.442) 5.281 7.264 ( -3.039 -3.001 -3.639) 5.611 7.395 ( -2.830 -0.410 0.701) 2.944 7.531 ( 0.427 -0.560 -2.004) 2.125 7.609 ( -5.342 -5.880 6.705) 10.396 7.690 ( 1.267 1.109 1.292) 2.122 7.778 ( -1.407 0.498 0.580) 1.601 7.808 ( -0.226 -4.223 -0.816) 4.307 7.854 ( -0.193 -1.675 2.113) 2.703 7.916 ( 2.834 -1.662 0.281) 3.297 8.123 ( -1.136 4.259 0.676) 4.459 8.167 ( 2.802 1.742 1.092) 3.475 8.289 ( -1.111 -1.206 -1.882) 2.496 8.312 ( -0.659 -1.166 2.643) 2.963 8.361 ( -2.244 -0.561 -0.914) 2.487 8.483 ( -2.490 -3.798 0.617) 4.583 8.645 ( -4.102 0.346 -1.793) 4.491 8.741 ( 2.348 4.662 -0.083) 5.221 8.852 ( -4.206 0.842 0.454) 4.314 8.960 ( 0.342 1.302 4.070) 4.287 9.222 ( -0.123 4.499 -1.366) 4.703 9.235 ( -1.497 3.970 2.006) 4.693 9.492 ( 0.424 0.491 -6.234) 6.267 9.609 ( 0.549 2.960 5.266) 6.066 9.749 ( 1.163 -4.142 -0.417) 4.322 9.915 ( -0.687 -2.713 0.415) 2.829 10.007 ( -1.098 0.665 -2.148) 2.502 10.026 ( -3.636 2.718 1.618) 4.819 10.128 ( 3.487 6.006 -2.771) 7.477 10.236 ( -2.648 -4.628 -3.157) 6.197 10.294 ( -1.709 -1.193 0.555) 2.157 10.431 ( 1.045 1.878 0.680) 2.254 10.521 ( -1.923 0.258 -1.450) 2.422 10.612 ( -3.182 -3.764 0.059) 4.929 10.699 ( 2.267 -1.689 -2.109) 3.527 10.749 ( 1.828 -0.016 0.746) 1.975 10.824 ( -1.543 -2.020 2.385) 3.485 10.992 ( 2.605 2.876 -0.590) 3.925 11.098 ( 0.754 0.066 2.143) 2.273 11.165 ( -1.460 0.237 1.796) 2.327 11.282 ( -2.782 0.054 -2.202) 3.548 11.373 ( -0.948 -4.148 -3.830) 5.725 11.470 ( -2.215 1.426 0.007) 2.634 11.582 ( 2.123 -1.821 0.591) 2.859 11.635 ( 2.377 -0.499 0.173) 2.435 11.661 ( -0.437 -0.519 -3.086) 3.160 11.827 ( 1.853 1.326 1.854) 2.938 11.957 ( 4.328 4.519 0.045) 6.257 12.082 ( -0.392 1.398 2.621) 2.997 12.592 ( 4.143 2.262 -0.348) 4.733 12.874 ( -0.398 -3.809 1.080) 3.980 13.320 ( -0.542 3.123 -0.283) 3.182 13.514 ( 0.338 1.370 -0.515) 1.502 14.518 ( 6.640 5.780 -0.809) 8.840 14.919 ( 4.816 -2.582 0.661) 5.504 15.183 ( -1.796 2.128 1.607) 3.215 15.476 ( -2.558 -1.188 -3.976) 4.875 15.631 ( -4.381 -1.379 5.354) 7.054 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 11.005 13.062 3.378) 17.411 1.554 ( 7.756 -0.828 5.309) 9.435 1.633 ( 4.259 7.059 -1.750) 8.428 1.719 ( 1.626 5.364 0.420) 5.620 1.906 ( 3.014 -2.798 -1.756) 4.472 2.093 ( -0.948 -4.121 0.354) 4.243 2.202 ( 3.083 1.098 -3.340) 4.677 2.245 ( 0.127 6.759 1.310) 6.886 2.321 ( 1.570 2.502 -0.793) 3.059 2.523 ( -3.299 -3.420 2.496) 5.368 2.720 ( -1.186 4.549 -3.663) 5.959 2.738 ( 4.906 1.638 0.224) 5.177 2.917 ( -3.530 0.890 -1.439) 3.915 2.941 ( 0.453 2.329 3.281) 4.049 3.040 ( 1.242 -0.982 3.293) 3.654 3.148 ( 0.583 -0.704 -0.523) 1.053 3.207 ( -2.830 -2.088 -1.115) 3.690 3.369 ( 2.156 -5.741 3.490) 7.056 3.521 ( 6.150 1.831 -2.876) 7.032 3.582 ( -1.904 1.539 3.356) 4.154 3.654 ( 0.560 -1.980 -0.222) 2.070 3.753 ( 2.352 -4.225 0.275) 4.844 3.880 ( -3.794 0.397 1.650) 4.156 3.955 ( -2.722 -1.212 0.553) 3.031 4.082 ( 3.117 -6.494 -1.050) 7.279 4.198 ( 4.622 -7.327 -4.047) 9.562 4.291 ( -1.898 -3.384 -6.313) 7.410 4.336 ( 2.961 0.413 -3.620) 4.695 4.380 ( -2.716 2.840 2.194) 4.501 4.411 ( 4.478 -2.684 2.383) 5.739 4.443 ( 2.260 -2.909 -0.502) 3.717 4.533 ( 0.268 0.798 -5.923) 5.982 4.653 ( 0.731 -1.039 1.520) 1.981 4.679 ( 6.651 -2.395 3.274) 7.791 4.780 ( -5.150 4.688 -0.018) 6.964 4.842 ( -3.184 2.620 -2.213) 4.680 4.914 ( 2.664 -0.719 -2.256) 3.564 5.000 ( -1.425 -1.415 1.007) 2.247 5.094 ( -0.088 1.521 0.922) 1.780 5.116 ( 1.216 3.097 -0.657) 3.392 5.195 ( -0.555 -3.058 4.788) 5.708 5.253 ( -7.403 -0.480 -1.921) 7.663 5.354 ( -1.814 -4.890 0.179) 5.219 5.454 ( 1.251 -2.306 4.260) 5.003 5.509 ( -1.653 0.747 1.237) 2.195 5.535 ( 1.627 -3.091 0.083) 3.495 5.570 ( -2.979 -1.531 -1.042) 3.508 5.595 ( -1.597 -2.051 -0.387) 2.628 5.704 ( 0.157 1.725 0.285) 1.755 5.818 ( -2.866 -2.134 0.102) 3.575 5.856 ( -1.970 -1.595 -0.689) 2.627 5.905 ( 1.593 5.440 -2.191) 6.077 6.063 ( 6.559 0.755 -2.330) 7.001 6.151 ( -0.019 -0.178 -0.803) 0.823 6.322 ( -0.469 3.036 0.854) 3.188 6.369 ( 2.779 1.148 2.111) 3.674 6.475 ( 2.309 0.494 2.806) 3.667 6.548 ( -3.537 8.235 5.643) 10.591 6.680 ( 0.008 1.108 -2.311) 2.563 6.833 ( 0.246 -7.549 -6.905) 10.234 6.979 ( -4.104 -1.773 4.153) 6.102 7.022 ( 1.538 0.961 -0.421) 1.862 7.142 ( -1.165 4.561 -0.679) 4.756 7.379 ( -1.519 -9.400 -3.579) 10.173 7.408 ( 0.904 -3.290 -2.229) 4.075 7.529 ( 1.238 1.288 0.556) 1.871 7.612 ( -5.704 4.592 6.077) 9.515 7.714 ( 1.946 -1.797 0.396) 2.678 7.763 ( -1.243 -1.530 -0.337) 2.000 7.857 ( -0.425 -2.563 -2.254) 3.440 7.903 ( -1.599 -2.911 0.144) 3.324 7.982 ( 2.244 -2.069 3.011) 4.288 8.079 ( -0.995 -1.321 -0.621) 1.766 8.164 ( 3.605 2.053 0.278) 4.158 8.251 ( -2.038 3.403 -2.555) 4.719 8.287 ( 1.038 1.424 -0.846) 1.955 8.427 ( -1.262 -4.367 1.202) 4.702 8.490 ( -4.965 -3.006 -0.372) 5.816 8.602 ( -5.487 3.658 -3.681) 7.553 8.708 ( 0.191 -3.876 1.567) 4.185 8.849 ( 2.684 -0.136 1.223) 2.953 8.910 ( -0.868 6.158 4.138) 7.470 9.147 ( -1.041 2.361 -1.197) 2.844 9.197 ( 1.993 3.017 1.696) 3.994 9.445 ( -0.868 -0.141 -6.952) 7.008 9.625 ( 2.058 1.483 6.125) 6.629 9.823 ( 1.139 -3.641 -0.232) 3.822 9.946 ( -2.170 3.053 0.079) 3.746 9.960 ( -0.810 -1.958 0.378) 2.153 9.983 ( -0.847 -0.605 -3.529) 3.680 10.089 ( 1.820 1.403 -0.037) 2.298 10.237 ( -1.321 0.525 -0.761) 1.613 10.337 ( -2.339 -6.756 -0.971) 7.216 10.427 ( 0.023 0.294 0.304) 0.423 10.487 ( 0.347 1.855 0.108) 1.891 10.649 ( -1.943 -2.595 1.526) 3.583 10.726 ( 1.468 0.165 0.090) 1.480 10.761 ( 3.923 -0.269 -0.600) 3.978 10.867 ( -2.589 -2.715 2.237) 4.368 10.958 ( 2.305 2.673 -3.217) 4.776 11.092 ( -0.960 1.724 1.283) 2.354 11.149 ( -0.441 0.530 -0.548) 0.881 11.267 ( -1.902 -1.254 -0.076) 2.279 11.373 ( -5.576 -3.123 -5.168) 8.219 11.449 ( 0.339 0.592 1.078) 1.276 11.632 ( -0.656 -0.596 -2.994) 3.122 11.637 ( 3.281 -0.100 -1.542) 3.627 11.664 ( -0.219 -0.805 2.644) 2.772 11.829 ( 1.304 1.961 2.024) 3.105 11.911 ( 2.503 4.247 -0.872) 5.006 12.072 ( -0.649 1.145 1.638) 2.101 12.597 ( 3.850 2.504 2.577) 5.266 12.926 ( -0.269 -2.281 0.834) 2.444 13.279 ( -0.209 1.239 0.392) 1.316 13.487 ( 0.530 1.898 -0.147) 1.976 14.483 ( 3.959 4.301 -0.736) 5.892 14.993 ( 2.574 -1.566 0.879) 3.138 15.120 ( -2.017 4.206 2.124) 5.126 15.467 ( -1.284 -3.077 -2.805) 4.357 15.648 ( -1.505 -0.830 1.794) 2.485 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 6.994 5.825 10.405) 13.824 1.441 ( -2.193 11.583 -4.373) 12.574 1.493 ( -3.362 11.759 -4.908) 13.178 1.729 ( 6.823 0.067 -0.427) 6.837 2.005 ( 1.996 -1.039 6.081) 6.484 2.126 ( 1.738 -0.512 -1.435) 2.311 2.181 ( 3.456 1.144 -6.275) 7.255 2.235 ( 1.882 -6.089 -0.074) 6.374 2.287 ( 0.234 4.752 4.409) 6.486 2.482 ( -9.802 3.616 3.790) 11.114 2.611 ( -5.226 4.372 -3.088) 7.481 2.743 ( 1.207 0.547 -0.655) 1.478 2.836 ( -2.962 0.667 -4.686) 5.583 2.939 ( 1.945 1.564 2.178) 3.313 3.042 ( -2.320 2.105 2.896) 4.266 3.165 ( -0.309 -2.535 -1.526) 2.975 3.224 ( -1.123 -1.567 -0.320) 1.954 3.445 ( 2.741 2.700 0.907) 3.953 3.517 ( 5.310 2.368 -0.408) 5.829 3.589 ( 0.626 0.109 2.890) 2.959 3.656 ( -0.836 0.085 -1.213) 1.476 3.719 ( -3.601 3.481 1.529) 5.237 3.945 ( 0.751 -4.099 4.354) 6.027 3.986 ( -0.036 -0.262 -1.829) 1.848 4.112 ( -1.999 1.443 -3.563) 4.332 4.222 ( -2.624 4.422 -2.595) 5.760 4.287 ( -0.396 -3.020 -1.420) 3.361 4.304 ( -2.720 -0.868 1.439) 3.197 4.387 ( 1.765 -5.118 -1.937) 5.750 4.432 ( 3.431 6.272 2.839) 7.692 4.476 ( 2.086 1.195 1.008) 2.607 4.553 ( 3.121 -2.072 -2.849) 4.706 4.617 ( -0.475 8.910 2.746) 9.336 4.690 ( -1.978 0.273 -1.618) 2.570 4.802 ( 0.826 -0.801 2.437) 2.695 4.855 ( 3.665 -5.791 -2.085) 7.164 4.922 ( -2.791 -2.232 -2.583) 4.410 4.974 ( -1.797 0.201 -0.771) 1.966 5.019 ( 0.349 -0.594 1.362) 1.526 5.139 ( 4.692 4.317 -2.315) 6.783 5.158 ( -2.973 -2.401 1.367) 4.059 5.327 ( -0.055 -4.018 0.414) 4.040 5.405 ( -1.633 -0.362 -0.053) 1.673 5.482 ( 1.232 0.362 -3.257) 3.500 5.507 ( -0.270 -0.988 3.983) 4.113 5.560 ( -1.947 -3.592 0.029) 4.086 5.624 ( 1.219 -1.105 4.125) 4.441 5.632 ( -0.697 -0.827 4.283) 4.418 5.707 ( -0.255 -4.429 -1.302) 4.623 5.765 ( -3.620 3.001 -2.333) 5.249 5.838 ( 0.224 -2.119 -0.964) 2.338 5.931 ( 4.484 0.861 3.373) 5.677 6.109 ( 1.293 0.982 2.729) 3.175 6.171 ( 4.562 -4.788 -5.344) 8.503 6.241 ( -3.476 4.342 -0.604) 5.595 6.364 ( 0.321 2.834 2.363) 3.703 6.434 ( -3.488 4.638 2.695) 6.398 6.464 ( 2.712 2.926 -3.751) 5.476 6.679 ( 0.347 -2.021 0.089) 2.052 6.918 ( -1.056 -5.873 -0.651) 6.002 6.990 ( -1.137 -1.252 1.257) 2.107 7.017 ( 0.850 1.168 -0.752) 1.628 7.133 ( 1.765 -2.588 0.761) 3.224 7.404 ( 1.582 0.884 -4.499) 4.851 7.500 ( -1.096 -3.463 -1.314) 3.862 7.537 ( -1.779 -1.498 1.189) 2.612 7.550 ( 1.957 0.463 5.313) 5.681 7.756 ( 0.856 1.471 0.535) 1.784 7.767 ( 0.267 -1.671 -0.376) 1.733 7.850 ( -2.053 -1.035 -3.294) 4.018 7.897 ( -0.103 2.616 1.827) 3.193 8.049 ( 1.451 -0.792 3.935) 4.268 8.093 ( -2.466 0.590 -1.676) 3.039 8.174 ( 2.822 3.082 -1.528) 4.449 8.197 ( 1.625 -3.355 -1.848) 4.161 8.285 ( -0.351 -2.547 0.799) 2.693 8.445 ( -6.610 1.770 -4.796) 8.356 8.461 ( -2.892 -4.526 -3.377) 6.345 8.525 ( -0.887 -2.249 0.105) 2.420 8.759 ( -0.342 4.936 1.345) 5.128 8.850 ( 2.241 -2.651 3.371) 4.839 8.935 ( 3.567 -1.667 3.724) 5.419 9.116 ( -0.879 -0.362 -1.032) 1.403 9.201 ( 2.683 0.292 1.303) 2.998 9.392 ( -3.698 -0.610 -6.219) 7.261 9.656 ( 2.273 2.554 6.607) 7.439 9.833 ( -0.383 2.800 -1.191) 3.066 9.927 ( -1.090 -2.695 0.707) 2.992 9.933 ( 0.391 0.018 -5.491) 5.505 10.016 ( -0.800 -2.094 1.747) 2.843 10.086 ( 1.020 1.206 -0.224) 1.595 10.218 ( -0.972 -0.434 -0.415) 1.142 10.383 ( -0.900 0.978 -0.450) 1.403 10.447 ( -0.379 -5.227 -0.265) 5.247 10.497 ( 2.048 -0.270 2.555) 3.285 10.675 ( -0.992 -1.432 1.488) 2.291 10.723 ( 2.117 1.793 0.407) 2.804 10.828 ( 4.435 -1.671 2.520) 5.368 10.859 ( -3.126 1.372 -0.850) 3.518 10.919 ( 1.336 1.636 -2.389) 3.188 11.069 ( -1.521 -0.854 -1.361) 2.212 11.133 ( -0.894 0.196 -1.760) 1.984 11.269 ( -2.485 -0.896 0.919) 2.797 11.329 ( -5.179 -1.810 -4.505) 7.099 11.463 ( 1.570 -0.137 1.462) 2.150 11.593 ( -1.523 0.817 -1.979) 2.627 11.635 ( 0.834 2.486 -1.449) 2.996 11.702 ( -0.076 -1.840 1.988) 2.710 11.812 ( 1.159 2.143 0.493) 2.486 11.872 ( 0.226 1.692 -0.595) 1.807 12.055 ( -0.560 1.101 0.529) 1.344 12.612 ( 3.006 1.615 3.350) 4.782 12.948 ( 0.264 0.121 0.246) 0.380 13.291 ( 0.798 -1.769 1.528) 2.470 13.472 ( 0.379 0.310 0.187) 0.524 14.436 ( 1.216 3.844 -1.086) 4.175 14.990 ( -1.137 3.635 0.577) 3.852 15.088 ( -0.025 -0.796 0.851) 1.166 15.522 ( 1.104 -4.883 0.107) 5.008 15.647 ( -0.360 0.451 -0.502) 0.765 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 6.460 8.257 17.054) 20.018 1.146 ( -5.835 19.669 0.518) 20.522 1.221 ( -6.516 3.787 -19.477) 20.884 1.788 ( 3.017 -2.144 0.303) 3.714 2.009 ( -0.222 2.143 2.654) 3.418 2.119 ( 2.397 9.872 -2.839) 10.548 2.157 ( -1.716 0.864 1.007) 2.170 2.259 ( -2.099 9.565 -1.297) 9.878 2.276 ( 2.672 0.425 3.844) 4.700 2.408 ( -1.685 -5.257 2.000) 5.872 2.458 ( -6.915 0.422 -2.025) 7.218 2.710 ( -3.307 -0.046 -2.214) 3.980 2.858 ( 2.152 -3.797 -1.070) 4.494 2.926 ( 0.185 3.534 0.352) 3.556 3.015 ( -0.243 -0.538 1.019) 1.177 3.207 ( -0.403 -4.482 -2.127) 4.977 3.226 ( -2.582 -1.782 0.413) 3.165 3.370 ( -0.010 5.851 -0.553) 5.877 3.539 ( 5.015 2.452 1.711) 5.838 3.570 ( 1.377 3.056 1.619) 3.723 3.654 ( 1.082 3.533 3.694) 5.225 3.716 ( 0.681 -2.304 1.877) 3.049 3.855 ( -5.734 5.990 -7.105) 10.920 4.009 ( 1.879 2.217 4.432) 5.299 4.056 ( -3.651 2.295 -1.853) 4.694 4.089 ( -2.562 5.689 -2.559) 6.744 4.272 ( 0.830 5.160 1.377) 5.405 4.307 ( -0.650 5.951 2.761) 6.592 4.393 ( 1.166 0.202 0.777) 1.416 4.441 ( -0.700 -1.034 0.258) 1.275 4.460 ( 0.338 -0.191 -1.124) 1.190 4.523 ( 2.980 2.510 1.046) 4.034 4.578 ( 1.161 0.556 -0.667) 1.450 4.668 ( -3.052 0.126 -1.856) 3.575 4.784 ( -2.136 -0.346 1.709) 2.757 4.872 ( -0.481 0.821 -4.665) 4.761 4.946 ( -1.338 -0.972 1.084) 1.978 5.021 ( 2.162 -3.641 1.290) 4.426 5.099 ( 1.800 -2.298 3.520) 4.573 5.124 ( 4.331 -0.290 -1.895) 4.737 5.187 ( -0.792 -0.263 0.901) 1.228 5.296 ( -4.830 4.775 -3.327) 7.563 5.367 ( 0.690 -2.535 -0.850) 2.762 5.484 ( 4.675 3.094 0.834) 5.668 5.571 ( 1.507 -1.707 2.811) 3.618 5.619 ( -0.488 -3.946 0.404) 3.997 5.655 ( -0.126 -2.099 -0.644) 2.199 5.682 ( -1.315 -3.673 1.407) 4.147 5.692 ( 2.173 3.462 2.222) 4.653 5.785 ( -1.691 -4.652 -1.497) 5.172 5.859 ( 0.764 1.360 -1.467) 2.141 5.933 ( 0.568 1.743 0.224) 1.847 6.070 ( 0.054 6.570 3.805) 7.592 6.173 ( -3.999 -2.860 0.413) 4.934 6.253 ( 4.077 2.851 -1.861) 5.312 6.355 ( 0.470 3.020 0.448) 3.089 6.357 ( -2.507 -4.788 -0.182) 5.408 6.473 ( 0.847 -6.017 -3.763) 7.147 6.739 ( 0.547 -4.016 0.876) 4.147 6.957 ( 0.564 3.979 -1.548) 4.306 7.004 ( -1.985 -3.421 7.452) 8.436 7.034 ( 2.473 -3.510 -3.960) 5.841 7.223 ( 2.177 -4.370 1.535) 5.118 7.364 ( 0.184 1.929 -5.056) 5.415 7.486 ( -1.978 -0.497 -2.308) 3.080 7.572 ( 2.346 1.122 3.437) 4.310 7.617 ( 0.106 -3.457 1.199) 3.660 7.720 ( -1.662 3.463 0.266) 3.850 7.757 ( 0.149 1.859 1.425) 2.347 7.816 ( -2.139 1.278 -1.985) 3.185 7.897 ( 0.469 -0.686 2.198) 2.350 8.012 ( 1.787 3.119 -0.970) 3.723 8.083 ( -0.641 0.360 0.900) 1.162 8.196 ( 6.125 -0.661 -1.211) 6.278 8.234 ( -2.130 -1.769 0.935) 2.923 8.358 ( 0.778 -4.258 -0.216) 4.334 8.391 ( 0.691 -2.496 -1.175) 2.844 8.517 ( -4.736 -6.221 -2.394) 8.177 8.544 ( -0.187 -3.171 -2.440) 4.006 8.657 ( -0.733 6.500 1.226) 6.655 8.942 ( 1.011 -2.591 2.480) 3.726 9.018 ( 7.219 -0.013 3.423) 7.990 9.123 ( -0.930 -2.447 -2.128) 3.373 9.245 ( 1.183 -2.570 1.002) 3.001 9.317 ( -6.756 -0.597 -6.155) 9.159 9.654 ( 1.089 3.976 4.152) 5.851 9.761 ( -1.157 4.455 -0.487) 4.628 9.907 ( -0.516 -0.666 -2.271) 2.422 9.984 ( 0.622 -3.364 -0.512) 3.459 10.041 ( -0.412 -1.247 0.402) 1.373 10.060 ( -0.032 1.766 -0.463) 1.826 10.240 ( -0.275 -3.014 0.187) 3.033 10.352 ( -0.036 1.993 -0.120) 1.996 10.497 ( 2.889 1.415 2.684) 4.189 10.552 ( -0.890 -3.224 0.819) 3.443 10.689 ( -1.400 0.290 0.228) 1.448 10.718 ( 1.021 -0.193 -1.199) 1.587 10.809 ( 0.721 0.790 -0.261) 1.101 10.877 ( -1.589 3.095 0.228) 3.486 10.907 ( 6.526 0.597 2.576) 7.042 11.051 ( -3.833 1.357 -0.942) 4.174 11.123 ( -0.852 -4.281 -4.809) 6.495 11.260 ( -3.144 -0.699 -0.463) 3.254 11.305 ( -1.435 -1.521 -0.592) 2.174 11.496 ( 1.776 -0.926 1.290) 2.383 11.557 ( -1.269 2.033 0.955) 2.580 11.584 ( -0.576 1.289 -2.705) 3.051 11.735 ( -0.432 -1.293 1.373) 1.935 11.794 ( 1.066 1.359 -0.726) 1.874 11.846 ( -1.394 0.718 -0.256) 1.589 12.037 ( -0.233 0.652 -0.174) 0.714 12.642 ( 1.625 -0.444 2.728) 3.206 12.927 ( 0.215 2.867 -0.052) 2.875 13.361 ( 2.032 -3.551 1.823) 4.479 13.490 ( 0.010 -2.335 0.426) 2.374 14.372 ( -1.098 3.336 -0.958) 3.640 14.911 ( -1.282 4.893 0.782) 5.118 15.124 ( 0.067 -3.355 -0.527) 3.397 15.612 ( -3.116 0.050 7.112) 7.765 15.639 ( 5.605 -3.791 -6.920) 9.679 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.000 21.958 -0.000) 21.958 0.768 ( -0.000 23.479 -0.000) 23.479 1.076 ( -0.000 10.238 -0.000) 10.238 1.846 ( 0.000 -3.008 0.000) 3.008 1.889 ( -0.000 9.525 -0.000) 9.525 2.003 ( 0.000 -0.571 0.000) 0.571 2.110 ( -0.000 5.600 -0.000) 5.600 2.137 ( -0.000 1.249 -0.000) 1.249 2.300 ( -0.000 2.218 -0.000) 2.218 2.410 ( 0.000 -2.426 0.000) 2.426 2.566 ( 0.000 -8.588 0.000) 8.588 2.684 ( -0.000 0.072 -0.000) 0.072 2.859 ( -0.000 3.134 -0.000) 3.134 2.938 ( 0.000 -4.148 0.000) 4.148 3.034 ( 0.000 -0.454 0.000) 0.454 3.243 ( 0.000 -2.108 0.000) 2.108 3.297 ( 0.000 -6.987 0.000) 6.987 3.303 ( -0.000 2.077 -0.000) 2.077 3.513 ( -0.000 5.459 -0.000) 5.459 3.527 ( -0.000 3.351 -0.000) 3.351 3.635 ( -0.000 5.206 -0.000) 5.206 3.670 ( -0.000 4.070 -0.000) 4.070 3.772 ( 0.000 -1.503 0.000) 1.503 3.903 ( -0.000 8.263 -0.000) 8.263 3.960 ( -0.000 8.941 -0.000) 8.941 4.051 ( 0.000 -0.604 0.000) 0.604 4.116 ( -0.000 7.996 -0.000) 7.996 4.267 ( -0.000 5.039 -0.000) 5.039 4.397 ( -0.000 0.049 -0.000) 0.049 4.438 ( -0.000 0.980 -0.000) 0.980 4.502 ( 0.000 -3.401 0.000) 3.401 4.517 ( -0.000 4.324 -0.000) 4.324 4.539 ( 0.000 -0.830 0.000) 0.830 4.668 ( 0.000 -2.087 0.000) 2.087 4.781 ( -0.000 1.876 -0.000) 1.876 4.839 ( -0.000 1.028 -0.000) 1.028 4.930 ( -0.000 2.985 -0.000) 2.985 5.067 ( 0.000 -0.941 0.000) 0.941 5.076 ( -0.000 5.856 -0.000) 5.856 5.172 ( 0.000 -4.122 0.000) 4.122 5.179 ( 0.000 -1.598 0.000) 1.598 5.255 ( 0.000 -1.417 0.000) 1.417 5.412 ( 0.000 -2.195 0.000) 2.195 5.471 ( -0.000 2.736 -0.000) 2.736 5.563 ( -0.000 2.631 -0.000) 2.631 5.631 ( -0.000 6.636 -0.000) 6.636 5.639 ( 0.000 -1.432 0.000) 1.432 5.714 ( -0.000 3.385 -0.000) 3.385 5.751 ( 0.000 -6.962 0.000) 6.962 5.814 ( 0.000 -3.192 0.000) 3.192 5.818 ( -0.000 1.896 -0.000) 1.896 5.937 ( 0.000 -2.504 0.000) 2.504 6.000 ( -0.000 2.935 -0.000) 2.935 6.190 ( -0.000 3.406 -0.000) 3.406 6.265 ( 0.000 -9.228 0.000) 9.228 6.290 ( -0.000 4.012 -0.000) 4.012 6.480 ( 0.000 -7.923 0.000) 7.923 6.597 ( 0.000 -9.492 0.000) 9.492 6.804 ( 0.000 -2.917 0.000) 2.917 6.888 ( -0.000 3.626 -0.000) 3.626 7.050 ( 0.000 -1.736 0.000) 1.736 7.113 ( 0.000 -1.595 0.000) 1.595 7.246 ( -0.000 7.284 -0.000) 7.284 7.301 ( 0.000 -2.685 0.000) 2.685 7.480 ( 0.000 -0.583 0.000) 0.583 7.580 ( -0.000 0.411 -0.000) 0.411 7.656 ( -0.000 2.213 -0.000) 2.213 7.679 ( 0.000 -2.955 0.000) 2.955 7.741 ( -0.000 2.231 -0.000) 2.231 7.751 ( -0.000 3.606 -0.000) 3.606 7.955 ( 0.000 -5.118 0.000) 5.118 8.015 ( 0.000 -1.008 0.000) 1.008 8.072 ( 0.000 -0.460 0.000) 0.460 8.198 ( -0.000 2.764 -0.000) 2.764 8.275 ( 0.000 -2.115 0.000) 2.115 8.422 ( 0.000 -3.939 0.000) 3.939 8.494 ( 0.000 -4.589 0.000) 4.589 8.511 ( 0.000 -0.457 0.000) 0.457 8.560 ( -0.000 3.787 -0.000) 3.787 8.630 ( 0.000 -7.577 0.000) 7.577 8.967 ( -0.000 0.905 -0.000) 0.905 9.059 ( -0.000 3.901 -0.000) 3.901 9.130 ( 0.000 -0.969 0.000) 0.969 9.255 ( 0.000 -1.291 0.000) 1.291 9.308 ( 0.000 -3.694 0.000) 3.694 9.596 ( -0.000 5.296 -0.000) 5.296 9.692 ( -0.000 2.648 -0.000) 2.648 9.905 ( -0.000 0.222 -0.000) 0.222 10.012 ( 0.000 -0.397 0.000) 0.397 10.063 ( 0.000 -2.656 0.000) 2.656 10.072 ( 0.000 -2.912 0.000) 2.912 10.296 ( 0.000 -3.901 0.000) 3.901 10.309 ( -0.000 3.541 -0.000) 3.541 10.492 ( -0.000 2.523 -0.000) 2.523 10.561 ( -0.000 1.219 -0.000) 1.219 10.648 ( -0.000 1.953 -0.000) 1.953 10.756 ( 0.000 -3.101 0.000) 3.101 10.794 ( -0.000 5.224 -0.000) 5.224 10.837 ( 0.000 -1.839 0.000) 1.839 10.956 ( -0.000 1.482 -0.000) 1.482 10.962 ( -0.000 2.321 -0.000) 2.321 11.174 ( 0.000 -3.116 0.000) 3.116 11.242 ( -0.000 0.157 -0.000) 0.157 11.346 ( 0.000 -4.158 0.000) 4.158 11.502 ( -0.000 1.732 -0.000) 1.732 11.555 ( 0.000 -2.033 0.000) 2.033 11.560 ( -0.000 0.519 -0.000) 0.519 11.757 ( 0.000 -1.332 0.000) 1.332 11.779 ( -0.000 1.030 -0.000) 1.030 11.822 ( -0.000 0.912 -0.000) 0.912 12.032 ( 0.000 -0.296 0.000) 0.296 12.682 ( 0.000 -1.984 0.000) 1.984 12.867 ( -0.000 4.357 -0.000) 4.357 13.428 ( 0.000 -2.375 0.000) 2.375 13.555 ( 0.000 -4.996 0.000) 4.996 14.312 ( -0.000 2.529 -0.000) 2.529 14.832 ( -0.000 4.464 -0.000) 4.464 15.187 ( 0.000 -4.692 0.000) 4.692 15.582 ( -0.000 2.686 -0.000) 2.686 15.733 ( 0.000 -4.710 0.000) 4.710 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 16.986 -0.000 14.471) 22.315 1.144 ( 20.023 -0.000 11.791) 23.237 1.799 ( 3.766 -0.000 -10.694) 11.338 1.830 ( -4.381 0.000 0.067) 4.381 1.848 ( 25.650 -0.000 17.517) 31.061 2.022 ( 3.596 -0.000 -13.930) 14.387 2.100 ( 3.164 -0.000 -0.080) 3.165 2.148 ( 9.268 -0.000 2.886) 9.707 2.419 ( 8.252 -0.000 2.475) 8.615 2.501 ( 3.365 -0.000 -2.320) 4.087 2.718 ( -2.437 0.000 1.709) 2.977 2.835 ( 5.330 -0.000 -2.399) 5.845 2.911 ( 1.016 -0.000 -2.987) 3.155 2.952 ( 1.340 -0.000 -0.495) 1.429 3.026 ( -6.387 0.000 2.369) 6.813 3.174 ( -4.928 0.000 -1.859) 5.267 3.248 ( 1.806 -0.000 3.272) 3.738 3.314 ( -1.641 0.000 6.946) 7.138 3.469 ( 4.007 -0.000 -2.654) 4.806 3.555 ( 1.794 -0.000 -2.444) 3.031 3.588 ( -0.736 0.000 3.610) 3.684 3.683 ( 0.056 -0.000 1.621) 1.622 3.800 ( 0.511 -0.000 -1.733) 1.807 3.887 ( 6.622 -0.000 -2.179) 6.971 3.923 ( 1.611 -0.000 -2.930) 3.344 3.942 ( 6.660 -0.000 -0.667) 6.694 4.134 ( -3.032 0.000 -1.357) 3.321 4.142 ( 3.541 -0.000 -1.545) 3.863 4.239 ( -0.598 0.000 -6.510) 6.538 4.329 ( 2.388 -0.000 -1.079) 2.620 4.349 ( 6.337 -0.000 -5.525) 8.407 4.389 ( 1.196 -0.000 -1.592) 1.992 4.624 ( -3.277 0.000 4.778) 5.794 4.731 ( 1.547 -0.000 -4.426) 4.689 4.800 ( -2.927 0.000 1.072) 3.117 4.849 ( 7.297 -0.000 -5.621) 9.211 4.945 ( -0.366 0.000 4.283) 4.299 5.036 ( -4.732 0.000 -5.684) 7.396 5.063 ( -1.472 0.000 0.664) 1.615 5.146 ( 3.503 -0.000 3.905) 5.246 5.243 ( -4.714 0.000 -5.292) 7.087 5.317 ( -3.145 0.000 -4.371) 5.385 5.346 ( -7.925 0.000 12.787) 15.044 5.363 ( 0.607 -0.000 2.007) 2.097 5.563 ( -2.625 0.000 -3.437) 4.325 5.595 ( 1.706 -0.000 3.252) 3.672 5.637 ( -1.456 0.000 0.488) 1.535 5.706 ( 3.888 -0.000 -1.047) 4.026 5.708 ( -1.913 0.000 -3.959) 4.397 5.764 ( -0.279 0.000 -1.925) 1.945 5.785 ( 2.646 -0.000 1.324) 2.958 5.987 ( -5.155 0.000 5.488) 7.530 6.096 ( -0.917 0.000 4.971) 5.055 6.129 ( -2.779 0.000 -0.571) 2.837 6.209 ( 0.514 -0.000 0.499) 0.716 6.262 ( 4.683 -0.000 -4.777) 6.690 6.505 ( -2.556 0.000 -4.926) 5.549 6.630 ( 0.712 -0.000 -6.193) 6.233 6.639 ( -0.553 0.000 -0.401) 0.683 6.945 ( -1.750 0.000 -1.066) 2.049 6.981 ( -4.386 0.000 8.095) 9.207 7.006 ( -1.767 0.000 -0.651) 1.883 7.091 ( -1.029 0.000 1.216) 1.593 7.336 ( -5.250 0.000 7.552) 9.198 7.354 ( 1.284 -0.000 2.088) 2.451 7.448 ( -6.105 0.000 -4.020) 7.310 7.547 ( 0.349 -0.000 1.583) 1.621 7.725 ( 2.156 -0.000 1.955) 2.910 7.734 ( 3.122 -0.000 1.174) 3.335 7.785 ( -0.605 0.000 4.911) 4.948 7.844 ( -0.672 0.000 2.464) 2.554 7.910 ( -2.106 0.000 -2.154) 3.012 8.132 ( -1.418 0.000 3.484) 3.761 8.181 ( -1.691 0.000 -5.549) 5.801 8.232 ( 0.312 -0.000 -1.931) 1.956 8.332 ( 2.204 -0.000 2.406) 3.263 8.416 ( -2.907 0.000 0.979) 3.067 8.430 ( -1.909 0.000 -0.892) 2.108 8.693 ( -4.601 0.000 -3.288) 5.655 8.803 ( -2.435 0.000 -0.677) 2.528 8.866 ( -0.039 0.000 3.669) 3.669 8.915 ( 0.851 -0.000 5.402) 5.468 9.287 ( -1.770 0.000 2.744) 3.266 9.347 ( -0.073 0.000 -3.400) 3.401 9.507 ( 1.194 -0.000 -1.532) 1.942 9.628 ( -0.525 0.000 -0.483) 0.713 9.732 ( -4.356 0.000 1.007) 4.471 9.868 ( -0.002 0.000 0.471) 0.471 10.011 ( -2.658 0.000 -2.920) 3.949 10.102 ( -4.112 0.000 -5.098) 6.550 10.104 ( -3.923 0.000 2.160) 4.478 10.275 ( 0.507 -0.000 2.490) 2.541 10.392 ( 1.326 -0.000 -9.014) 9.111 10.424 ( -2.626 0.000 0.301) 2.643 10.470 ( -7.581 0.000 -1.186) 7.673 10.566 ( 0.154 -0.000 -1.525) 1.533 10.626 ( 4.779 -0.000 -1.267) 4.944 10.745 ( -0.669 0.000 8.080) 8.108 10.891 ( 0.791 -0.000 0.383) 0.879 10.940 ( -2.739 0.000 -0.644) 2.814 11.096 ( 3.319 -0.000 3.225) 4.628 11.157 ( 0.937 -0.000 0.433) 1.032 11.255 ( 2.867 -0.000 -3.902) 4.842 11.342 ( -5.408 0.000 -0.296) 5.416 11.490 ( -0.696 0.000 -3.200) 3.274 11.569 ( -0.169 0.000 0.055) 0.178 11.579 ( -0.628 0.000 -1.846) 1.950 11.671 ( 4.086 -0.000 -1.015) 4.210 11.850 ( 2.463 -0.000 0.629) 2.543 12.049 ( 6.462 -0.000 1.467) 6.627 12.115 ( -1.296 0.000 2.946) 3.218 12.644 ( 6.948 -0.000 -1.304) 7.070 12.783 ( 0.118 -0.000 0.409) 0.426 13.413 ( -0.096 0.000 -0.441) 0.451 13.503 ( 1.459 -0.000 0.307) 1.491 14.704 ( 6.421 -0.000 -5.699) 8.585 14.882 ( 8.833 -0.000 -0.411) 8.842 15.102 ( 1.237 -0.000 0.544) 1.351 15.524 ( 1.215 -0.000 -1.070) 1.619 15.574 ( -13.598 0.000 11.649) 17.906 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 14.663 7.107 10.859) 19.581 1.416 ( 16.900 -4.481 9.235) 19.773 1.761 ( 5.059 -0.377 -10.775) 11.910 1.801 ( -3.787 0.365 6.567) 7.589 1.924 ( -0.245 2.743 -9.699) 10.083 2.094 ( 5.184 -0.197 -2.543) 5.777 2.135 ( 2.684 -4.252 -0.275) 5.036 2.288 ( 15.513 4.092 7.504) 17.712 2.504 ( 6.082 1.818 4.640) 7.863 2.526 ( 2.673 2.773 -1.476) 4.124 2.692 ( 6.569 -2.483 0.538) 7.043 2.874 ( 1.119 2.923 -2.962) 4.309 2.896 ( -1.097 -3.638 0.160) 3.803 2.928 ( -3.095 1.252 0.025) 3.338 3.003 ( -1.048 -0.820 2.267) 2.629 3.134 ( -2.879 -0.635 -0.643) 3.017 3.263 ( 1.096 3.272 2.154) 4.068 3.347 ( 1.698 5.411 2.762) 6.308 3.408 ( 1.395 -1.568 -2.374) 3.169 3.569 ( 0.579 -3.136 2.355) 3.964 3.615 ( -2.762 -0.595 -0.282) 2.840 3.726 ( 1.285 0.166 -1.652) 2.099 3.858 ( 3.664 -4.940 -2.045) 6.482 3.908 ( 3.077 -4.633 -3.450) 6.544 3.956 ( 5.355 -0.604 0.553) 5.418 4.022 ( -1.427 3.694 2.699) 4.793 4.089 ( 6.805 -6.091 -2.949) 9.597 4.235 ( -0.990 -5.813 -1.001) 5.981 4.255 ( 4.586 -3.268 -1.415) 5.806 4.344 ( 0.097 -1.825 -4.086) 4.476 4.376 ( 1.191 -3.211 -1.514) 3.744 4.421 ( 3.942 -1.461 -1.291) 4.397 4.688 ( -1.111 -5.834 5.465) 8.070 4.754 ( -0.688 -0.197 0.965) 1.201 4.767 ( -0.724 -3.461 -4.164) 5.463 4.810 ( -0.038 4.629 -4.281) 6.305 4.932 ( 1.251 2.648 -3.512) 4.573 4.982 ( -4.659 3.146 -2.473) 6.142 5.053 ( -0.387 -2.198 1.384) 2.626 5.144 ( 0.376 0.419 -0.273) 0.626 5.186 ( -5.806 -1.316 -4.065) 7.209 5.311 ( 0.386 0.169 5.219) 5.236 5.356 ( -4.035 -0.118 8.915) 9.787 5.380 ( -0.921 0.387 1.906) 2.152 5.472 ( -3.864 2.413 -3.137) 5.531 5.518 ( -0.407 4.291 -2.207) 4.843 5.604 ( -0.608 2.759 -3.387) 4.410 5.634 ( 0.710 -2.161 -3.067) 3.819 5.722 ( -0.658 2.059 -0.433) 2.205 5.799 ( -0.403 4.122 4.495) 6.112 5.924 ( -1.474 -0.092 5.774) 5.960 6.016 ( 0.511 0.316 -6.301) 6.330 6.033 ( 1.874 -4.634 1.359) 5.181 6.146 ( -1.630 -0.920 4.290) 4.680 6.220 ( 0.386 -5.602 1.832) 5.907 6.342 ( 1.240 -4.317 0.654) 4.539 6.515 ( 2.070 -3.485 -3.646) 5.452 6.575 ( -0.837 0.946 -4.717) 4.884 6.666 ( -0.235 -2.423 -2.680) 3.620 6.863 ( -2.879 6.971 1.315) 7.656 6.946 ( -3.069 1.223 2.380) 4.071 7.032 ( -4.200 -3.828 2.104) 6.060 7.087 ( 0.337 0.153 -0.203) 0.422 7.330 ( -1.018 2.691 0.622) 2.944 7.360 ( -0.876 -0.324 -1.423) 1.702 7.434 ( -5.081 -6.113 1.649) 8.118 7.563 ( -0.639 -0.706 2.036) 2.248 7.746 ( 1.332 2.061 2.861) 3.770 7.767 ( 0.283 -0.776 0.291) 0.876 7.803 ( -0.788 1.763 2.063) 2.826 7.833 ( -1.542 -1.415 3.519) 4.095 7.909 ( 1.084 -1.298 -0.503) 1.764 8.143 ( 0.128 -1.313 -3.924) 4.140 8.180 ( -1.378 -4.171 1.705) 4.712 8.240 ( 2.285 -0.564 -1.672) 2.887 8.347 ( -2.458 4.226 0.414) 4.907 8.352 ( 0.764 1.342 3.501) 3.827 8.441 ( -1.401 -2.052 0.301) 2.503 8.606 ( -3.578 2.437 -2.463) 4.980 8.737 ( -7.442 0.964 -4.234) 8.616 8.889 ( 2.352 1.568 2.664) 3.884 8.991 ( 2.530 -1.500 5.729) 6.440 9.269 ( -2.629 3.264 -0.977) 4.303 9.289 ( 0.133 2.380 0.124) 2.387 9.493 ( 1.332 1.731 -3.164) 3.845 9.640 ( -1.436 -1.123 0.435) 1.874 9.700 ( -1.434 -1.468 1.058) 2.309 9.877 ( -0.495 -1.024 0.180) 1.151 9.975 ( -2.272 -0.304 -1.933) 2.998 10.043 ( -4.021 1.393 -0.367) 4.271 10.105 ( -2.507 -4.121 -2.086) 5.256 10.250 ( 1.693 6.433 -2.094) 6.974 10.280 ( -1.889 1.140 -2.270) 3.166 10.429 ( -5.033 -3.393 -0.627) 6.102 10.449 ( -0.701 -0.508 -1.118) 1.415 10.574 ( -0.076 -1.853 -0.455) 1.910 10.706 ( 6.922 -2.681 -1.228) 7.524 10.756 ( -0.992 1.731 4.978) 5.363 10.837 ( 0.312 2.398 -0.483) 2.466 10.990 ( -2.267 -3.742 -1.014) 4.491 11.132 ( 3.181 0.717 1.660) 3.659 11.171 ( 0.130 0.055 1.396) 1.403 11.238 ( -2.173 1.037 -2.289) 3.322 11.298 ( -2.319 -0.808 -2.791) 3.718 11.455 ( -2.231 -0.309 -2.123) 3.095 11.576 ( 0.384 -1.471 -1.914) 2.444 11.594 ( 0.954 -1.193 0.549) 1.623 11.693 ( 3.238 0.739 -0.546) 3.366 11.870 ( 2.195 0.655 0.966) 2.486 12.075 ( 4.712 4.046 0.972) 6.286 12.112 ( -1.091 1.005 2.526) 2.929 12.679 ( 5.372 2.151 1.315) 5.934 12.818 ( -0.341 -3.346 1.043) 3.521 13.376 ( 0.204 3.547 -0.126) 3.555 13.524 ( 0.764 -0.282 0.034) 0.815 14.667 ( 5.391 5.900 -2.683) 8.431 14.960 ( 7.759 0.075 1.649) 7.933 15.160 ( -0.170 -3.580 0.427) 3.609 15.454 ( -5.395 3.761 0.908) 6.639 15.584 ( -4.312 -3.236 3.641) 6.505 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 10.472 15.403 4.096) 19.070 1.641 ( 7.143 -1.848 4.493) 8.639 1.757 ( 2.184 3.771 -3.075) 5.334 1.809 ( 4.713 1.207 2.221) 5.348 1.889 ( 3.454 -2.417 -1.054) 4.346 2.046 ( 0.259 0.998 -2.852) 3.033 2.233 ( 5.269 -2.199 -3.362) 6.625 2.332 ( 1.188 0.955 0.465) 1.594 2.393 ( -1.198 10.050 1.325) 10.207 2.514 ( 0.082 4.330 3.484) 5.558 2.769 ( -1.711 4.188 -0.937) 4.620 2.800 ( 3.830 2.078 -5.498) 7.015 2.881 ( -4.344 0.128 -0.639) 4.393 2.992 ( 1.646 -0.877 4.979) 5.317 3.062 ( 2.937 -2.625 4.849) 6.247 3.150 ( 0.573 -2.440 0.442) 2.545 3.186 ( 1.166 4.406 -1.100) 4.688 3.334 ( 1.918 -2.446 3.523) 4.698 3.493 ( 2.477 -5.166 -4.323) 7.177 3.568 ( -4.148 -0.057 1.159) 4.307 3.660 ( 0.422 -4.716 1.314) 4.913 3.723 ( 2.312 0.958 -1.009) 2.698 3.908 ( 1.066 0.133 1.490) 1.837 3.928 ( -2.566 3.506 3.258) 5.431 4.030 ( 4.235 -4.158 -0.210) 5.939 4.054 ( 3.627 -7.602 -7.756) 11.450 4.211 ( 0.509 -4.225 -1.028) 4.378 4.308 ( 1.753 -3.055 -3.710) 5.116 4.372 ( 4.536 -4.106 -0.828) 6.174 4.381 ( 2.471 -6.746 0.959) 7.248 4.454 ( 4.076 -1.445 2.297) 4.897 4.492 ( 0.929 -5.302 -0.365) 5.395 4.647 ( -1.769 5.597 -4.726) 7.536 4.702 ( -0.541 0.161 -0.275) 0.628 4.788 ( -4.183 -1.068 -3.036) 5.278 4.838 ( -3.678 1.965 0.697) 4.227 4.908 ( -1.581 -8.717 5.224) 10.284 4.950 ( 6.037 0.670 -3.525) 7.023 5.057 ( -1.963 -1.970 0.069) 2.782 5.126 ( -1.886 1.307 -2.847) 3.657 5.189 ( -3.433 2.721 1.524) 4.638 5.273 ( -0.226 -2.912 0.431) 2.952 5.320 ( -4.215 5.724 6.323) 9.513 5.418 ( -0.509 -2.785 -1.340) 3.132 5.458 ( 0.277 -5.283 -1.843) 5.603 5.489 ( -2.819 -1.861 -2.867) 4.431 5.552 ( -1.301 -0.018 0.539) 1.409 5.583 ( 1.101 6.858 -1.237) 7.055 5.732 ( -0.938 1.364 2.335) 2.863 5.758 ( -0.677 -4.996 1.558) 5.277 5.865 ( -1.562 6.414 2.338) 7.003 5.957 ( -0.560 2.075 -3.926) 4.475 6.118 ( 3.990 -0.302 1.763) 4.373 6.181 ( 2.591 1.238 2.711) 3.949 6.361 ( 0.015 0.231 -1.478) 1.496 6.392 ( 1.283 -4.433 3.972) 6.089 6.517 ( 1.125 0.398 2.198) 2.501 6.616 ( 0.570 -7.408 -6.418) 9.819 6.655 ( -2.885 1.592 -0.491) 3.332 6.732 ( 0.355 5.500 -1.896) 5.829 6.936 ( -3.843 -1.372 3.207) 5.190 7.061 ( 0.685 1.236 2.329) 2.724 7.136 ( -3.184 -11.457 -2.915) 12.243 7.228 ( -0.825 7.654 -0.656) 7.726 7.369 ( 1.715 -1.626 -2.495) 3.436 7.520 ( -1.537 -6.155 0.133) 6.345 7.583 ( -4.468 -2.298 3.253) 5.985 7.736 ( 1.133 0.658 1.710) 2.154 7.753 ( -0.166 1.362 2.158) 2.558 7.813 ( 1.588 -0.523 -0.823) 1.864 7.869 ( -1.238 -1.846 2.700) 3.497 7.950 ( 0.291 -3.355 -0.925) 3.492 8.107 ( -0.546 2.758 -1.338) 3.114 8.227 ( 2.830 3.626 -2.081) 5.049 8.261 ( -0.131 2.145 -0.923) 2.339 8.307 ( 1.197 -4.317 1.463) 4.713 8.362 ( -1.638 -1.389 4.118) 4.645 8.443 ( -2.483 1.289 0.162) 2.803 8.555 ( -5.165 0.175 -3.217) 6.087 8.618 ( -5.554 -1.724 -4.072) 7.099 8.905 ( 3.410 1.163 3.080) 4.739 9.022 ( 1.046 3.832 3.410) 5.235 9.166 ( -2.709 3.616 -1.853) 4.883 9.274 ( 1.438 2.459 1.786) 3.363 9.437 ( 1.133 3.262 -4.712) 5.842 9.663 ( -0.596 -2.099 3.958) 4.520 9.761 ( 0.706 -4.674 0.221) 4.732 9.905 ( -0.693 -3.354 -0.051) 3.425 9.944 ( -1.587 0.371 -3.330) 3.708 9.978 ( -2.826 2.876 0.182) 4.036 10.161 ( 0.950 -1.115 -2.132) 2.586 10.169 ( 0.360 -0.353 0.240) 0.559 10.248 ( -2.072 -0.622 -1.732) 2.772 10.433 ( -0.347 -0.045 -0.291) 0.455 10.462 ( -2.808 -3.686 -0.055) 4.634 10.607 ( -0.313 -2.195 0.843) 2.372 10.734 ( 1.125 0.598 1.177) 1.735 10.812 ( 2.480 1.609 -0.280) 2.970 10.819 ( 2.191 -3.317 0.639) 4.026 10.987 ( -1.072 0.773 -1.506) 2.004 11.124 ( -2.685 3.673 0.269) 4.558 11.150 ( 1.064 0.646 -1.225) 1.746 11.225 ( -1.515 -2.032 0.767) 2.648 11.269 ( -2.278 -0.754 -3.852) 4.538 11.453 ( -0.836 -1.332 1.064) 1.899 11.579 ( -0.841 -1.215 -3.557) 3.852 11.635 ( 1.757 -1.664 0.556) 2.483 11.699 ( 1.852 1.234 0.334) 2.250 11.880 ( 1.629 1.224 1.229) 2.380 12.022 ( 2.522 6.728 0.070) 7.185 12.098 ( -0.776 1.422 1.744) 2.380 12.694 ( 4.212 2.723 2.266) 5.503 12.879 ( -0.695 -3.779 1.203) 4.026 13.320 ( 0.225 3.452 0.213) 3.466 13.518 ( 0.403 1.419 -0.031) 1.476 14.603 ( 4.300 6.067 -1.336) 7.555 15.026 ( 5.115 0.552 1.706) 5.420 15.173 ( -2.460 2.287 3.038) 4.529 15.383 ( -3.043 -1.840 -2.970) 4.633 15.620 ( -1.823 -2.326 1.617) 3.369 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 5.983 12.647 3.595) 14.445 1.578 ( -2.106 10.071 -1.665) 10.422 1.668 ( 1.239 9.645 -1.242) 9.803 1.824 ( 5.563 4.594 -0.414) 7.227 2.001 ( 2.802 -5.231 6.210) 8.589 2.105 ( 2.438 -6.189 -3.318) 7.433 2.210 ( 3.574 6.218 -2.870) 7.725 2.248 ( 0.780 4.554 -0.989) 4.725 2.370 ( 2.018 -1.222 -0.000) 2.359 2.431 ( -8.388 2.926 4.636) 10.020 2.636 ( -3.271 6.696 -2.438) 7.841 2.787 ( 1.725 -0.304 -3.194) 3.642 2.819 ( -2.775 4.147 0.762) 5.048 2.976 ( -0.696 2.614 1.197) 2.959 3.105 ( 1.226 2.883 3.418) 4.637 3.155 ( 0.800 1.297 0.275) 1.549 3.191 ( -0.114 -1.812 -0.969) 2.058 3.480 ( 3.263 -6.181 4.437) 8.279 3.525 ( 1.941 -1.979 -4.328) 5.140 3.574 ( -1.813 -1.709 1.478) 2.897 3.646 ( -1.446 3.904 -4.347) 6.019 3.800 ( 2.935 -2.141 3.465) 5.020 3.866 ( -3.038 -1.764 6.066) 7.010 3.955 ( -0.207 -1.906 -0.746) 2.058 4.068 ( -0.849 -1.272 -6.587) 6.762 4.175 ( 3.498 -6.054 -1.602) 7.173 4.246 ( -2.858 -0.979 0.285) 3.035 4.333 ( 2.484 -2.890 -3.031) 4.869 4.367 ( -1.182 7.115 1.894) 7.457 4.481 ( 2.820 -0.800 -1.285) 3.201 4.505 ( 2.419 -5.308 -0.000) 5.833 4.583 ( 4.185 -0.689 2.106) 4.735 4.619 ( -0.056 -1.092 -1.776) 2.085 4.730 ( -4.117 0.966 2.057) 4.702 4.787 ( 0.986 -5.462 -0.428) 5.567 4.809 ( 4.345 -2.139 -0.330) 4.854 4.908 ( -2.690 7.788 0.114) 8.241 4.974 ( -1.568 0.560 -0.308) 1.693 5.020 ( 1.084 -0.113 -4.610) 4.737 5.064 ( -7.625 -0.934 0.660) 7.710 5.219 ( 3.389 -2.141 2.953) 4.979 5.271 ( 0.713 -1.222 1.973) 2.428 5.375 ( 1.121 -3.395 1.641) 3.934 5.393 ( -3.291 -2.700 -5.888) 7.266 5.474 ( -3.242 -2.685 -1.141) 4.361 5.531 ( -0.148 -0.350 1.741) 1.782 5.585 ( 0.398 -7.031 2.763) 7.565 5.612 ( 1.133 -5.748 1.476) 6.042 5.718 ( 1.143 4.762 1.152) 5.031 5.756 ( -5.069 2.790 2.119) 6.162 5.785 ( -0.760 -0.606 -3.247) 3.389 5.992 ( 4.768 -4.835 0.611) 6.818 6.139 ( 1.154 3.339 -0.856) 3.635 6.160 ( 3.699 2.967 0.304) 4.751 6.283 ( -2.609 3.894 -1.819) 5.028 6.438 ( 1.434 2.174 2.545) 3.641 6.526 ( -1.491 7.584 1.701) 7.914 6.561 ( 0.081 4.346 3.443) 5.545 6.647 ( 0.383 -1.391 -3.725) 3.994 6.763 ( -0.164 -8.681 -3.866) 9.504 6.952 ( -2.797 -2.189 2.243) 4.201 7.051 ( 0.770 1.815 0.556) 2.048 7.138 ( 0.820 1.889 0.291) 2.079 7.320 ( -1.394 -13.872 -0.834) 13.967 7.385 ( 0.856 -1.060 -3.506) 3.761 7.554 ( -0.195 2.009 -0.288) 2.039 7.606 ( -1.704 -2.355 4.359) 5.239 7.757 ( 0.780 0.390 0.820) 1.197 7.773 ( 1.159 -0.902 1.062) 1.813 7.813 ( 0.512 0.413 -2.461) 2.548 7.931 ( 2.316 -2.915 4.691) 5.989 8.001 ( -0.991 -3.972 -0.598) 4.137 8.063 ( -2.729 -1.114 -1.142) 3.161 8.154 ( -0.475 3.169 -3.388) 4.663 8.241 ( 2.593 1.185 -0.963) 3.009 8.307 ( 1.492 4.468 0.262) 4.718 8.381 ( -4.649 1.093 0.228) 4.781 8.401 ( -4.701 1.747 -1.703) 5.296 8.474 ( -0.457 -4.499 -0.991) 4.629 8.697 ( -0.636 -8.102 -0.362) 8.135 8.946 ( -0.093 6.333 2.232) 6.716 8.963 ( 3.651 -0.740 3.798) 5.320 9.101 ( -2.162 0.803 -1.587) 2.799 9.254 ( 1.631 2.678 0.776) 3.231 9.363 ( -0.384 3.130 -3.629) 4.808 9.728 ( 1.279 -1.191 4.718) 5.031 9.838 ( 0.483 -3.078 0.389) 3.140 9.896 ( -0.953 1.060 -4.582) 4.799 9.911 ( -1.129 2.066 -0.445) 2.396 9.963 ( -0.674 -4.208 0.466) 4.287 10.125 ( 1.322 2.589 0.449) 2.941 10.214 ( -0.342 0.419 -0.247) 0.595 10.289 ( -1.166 -8.683 -0.930) 8.810 10.417 ( -0.344 1.322 -0.245) 1.388 10.508 ( 0.300 -2.738 0.732) 2.850 10.643 ( -0.772 -2.152 0.696) 2.390 10.766 ( 1.229 -0.191 2.191) 2.520 10.807 ( -0.298 -2.764 -0.494) 2.823 10.872 ( 1.977 1.440 0.427) 2.483 10.949 ( 1.391 1.397 -2.238) 2.983 11.048 ( -1.877 2.181 -0.790) 2.984 11.119 ( -2.905 1.413 -1.499) 3.561 11.241 ( -1.490 -0.642 0.326) 1.655 11.258 ( -0.318 -1.830 -1.470) 2.369 11.484 ( 0.935 -0.970 2.552) 2.886 11.556 ( -1.517 -0.221 -3.600) 3.913 11.676 ( 2.791 -0.879 -1.871) 3.473 11.689 ( -1.325 1.101 2.519) 3.051 11.874 ( 1.148 2.125 1.290) 2.738 11.924 ( 0.356 6.242 -1.030) 6.336 12.077 ( -0.353 1.511 0.796) 1.744 12.691 ( 2.129 2.916 1.763) 4.018 12.932 ( -0.116 -2.476 0.491) 2.527 13.288 ( 0.151 0.607 0.579) 0.852 13.495 ( 0.297 1.709 0.040) 1.735 14.529 ( 2.009 6.087 -0.744) 6.453 15.040 ( 1.489 2.599 0.388) 3.020 15.112 ( -1.654 3.122 1.792) 3.962 15.428 ( -0.206 -6.382 -1.336) 6.523 15.640 ( -0.710 -0.810 0.409) 1.152 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.000 0.502 -0.000) 0.502 1.331 ( -0.000 17.816 -0.000) 17.816 1.440 ( -0.000 17.970 -0.000) 17.970 1.797 ( -0.000 1.319 -0.000) 1.319 2.073 ( -0.000 3.701 -0.000) 3.701 2.141 ( 0.000 -0.527 0.000) 0.527 2.162 ( 0.000 -2.728 0.000) 2.728 2.295 ( 0.000 -5.119 0.000) 5.119 2.358 ( -0.000 1.360 -0.000) 1.360 2.363 ( -0.000 4.162 -0.000) 4.162 2.501 ( -0.000 8.048 -0.000) 8.048 2.721 ( -0.000 4.970 -0.000) 4.970 2.806 ( 0.000 -2.478 0.000) 2.478 2.964 ( 0.000 -0.866 0.000) 0.866 3.041 ( -0.000 5.448 -0.000) 5.448 3.160 ( 0.000 -0.690 0.000) 0.690 3.200 ( 0.000 -0.767 0.000) 0.767 3.476 ( -0.000 7.436 -0.000) 7.436 3.564 ( 0.000 -1.442 0.000) 1.442 3.592 ( -0.000 0.005 -0.000) 0.005 3.642 ( 0.000 -6.345 0.000) 6.345 3.800 ( -0.000 4.315 -0.000) 4.315 3.873 ( -0.000 5.625 -0.000) 5.625 3.996 ( 0.000 -5.228 0.000) 5.228 4.059 ( 0.000 -0.589 0.000) 0.589 4.174 ( -0.000 5.464 -0.000) 5.464 4.281 ( 0.000 -3.727 0.000) 3.727 4.301 ( 0.000 -0.355 0.000) 0.355 4.401 ( 0.000 -3.309 0.000) 3.309 4.461 ( -0.000 3.144 -0.000) 3.144 4.539 ( -0.000 8.637 -0.000) 8.637 4.571 ( 0.000 -1.171 0.000) 1.171 4.630 ( 0.000 -1.481 0.000) 1.481 4.690 ( -0.000 10.826 -0.000) 10.826 4.744 ( 0.000 -1.851 0.000) 1.851 4.847 ( 0.000 -1.922 0.000) 1.922 4.925 ( 0.000 -7.095 0.000) 7.095 4.953 ( -0.000 2.578 -0.000) 2.578 5.063 ( 0.000 -5.917 0.000) 5.917 5.083 ( 0.000 -4.537 0.000) 4.537 5.263 ( -0.000 3.812 -0.000) 3.812 5.300 ( -0.000 0.056 -0.000) 0.056 5.325 ( 0.000 -0.929 0.000) 0.929 5.495 ( 0.000 -7.152 0.000) 7.152 5.528 ( 0.000 -4.440 0.000) 4.440 5.564 ( 0.000 -0.593 0.000) 0.593 5.640 ( -0.000 1.602 -0.000) 1.602 5.669 ( -0.000 0.587 -0.000) 0.587 5.699 ( 0.000 -5.814 0.000) 5.814 5.710 ( -0.000 0.608 -0.000) 0.608 5.838 ( 0.000 -4.500 0.000) 4.500 6.033 ( -0.000 7.004 -0.000) 7.004 6.129 ( 0.000 -4.459 0.000) 4.459 6.132 ( -0.000 1.443 -0.000) 1.443 6.244 ( 0.000 -1.167 0.000) 1.167 6.378 ( -0.000 6.564 -0.000) 6.564 6.419 ( -0.000 4.632 -0.000) 4.632 6.458 ( -0.000 5.840 -0.000) 5.840 6.684 ( 0.000 -3.361 0.000) 3.361 6.893 ( 0.000 -8.998 0.000) 8.998 6.984 ( 0.000 -2.322 0.000) 2.322 7.022 ( -0.000 2.750 -0.000) 2.750 7.173 ( 0.000 -4.047 0.000) 4.047 7.374 ( -0.000 0.604 -0.000) 0.604 7.493 ( -0.000 3.566 -0.000) 3.566 7.505 ( 0.000 -9.296 0.000) 9.296 7.636 ( -0.000 1.010 -0.000) 1.010 7.744 ( -0.000 1.479 -0.000) 1.479 7.793 ( 0.000 -0.097 0.000) 0.097 7.793 ( -0.000 0.342 -0.000) 0.342 7.954 ( -0.000 3.818 -0.000) 3.818 8.028 ( 0.000 -0.050 0.000) 0.050 8.101 ( -0.000 1.413 -0.000) 1.413 8.129 ( 0.000 -7.289 0.000) 7.289 8.252 ( -0.000 2.178 -0.000) 2.178 8.283 ( 0.000 -4.822 0.000) 4.822 8.340 ( 0.000 -0.961 0.000) 0.961 8.387 ( 0.000 -3.277 0.000) 3.277 8.527 ( 0.000 -1.573 0.000) 1.573 8.755 ( -0.000 3.394 -0.000) 3.394 8.901 ( 0.000 -2.550 0.000) 2.550 9.036 ( 0.000 -3.302 0.000) 3.302 9.081 ( 0.000 -0.602 0.000) 0.602 9.236 ( -0.000 0.431 -0.000) 0.431 9.294 ( -0.000 3.143 -0.000) 3.143 9.738 ( -0.000 3.357 -0.000) 3.357 9.822 ( -0.000 3.400 -0.000) 3.400 9.874 ( 0.000 -1.015 0.000) 1.015 9.929 ( 0.000 -3.494 0.000) 3.494 10.018 ( 0.000 -2.398 0.000) 2.398 10.095 ( -0.000 2.304 -0.000) 2.304 10.208 ( 0.000 -0.655 0.000) 0.655 10.374 ( -0.000 0.486 -0.000) 0.486 10.441 ( 0.000 -7.507 0.000) 7.507 10.540 ( 0.000 -0.282 0.000) 0.282 10.671 ( 0.000 -1.625 0.000) 1.625 10.743 ( -0.000 2.768 -0.000) 2.768 10.832 ( -0.000 2.549 -0.000) 2.549 10.895 ( 0.000 -3.005 0.000) 3.005 10.951 ( 0.000 -1.635 0.000) 1.635 11.025 ( 0.000 -1.003 0.000) 1.003 11.055 ( -0.000 2.795 -0.000) 2.795 11.243 ( 0.000 -0.387 0.000) 0.387 11.277 ( 0.000 -1.219 0.000) 1.219 11.514 ( -0.000 0.780 -0.000) 0.780 11.536 ( 0.000 -1.607 0.000) 1.607 11.637 ( -0.000 4.337 -0.000) 4.337 11.713 ( 0.000 -1.720 0.000) 1.720 11.833 ( -0.000 3.687 -0.000) 3.687 11.860 ( -0.000 1.509 -0.000) 1.509 12.054 ( -0.000 1.440 -0.000) 1.440 12.667 ( -0.000 1.676 -0.000) 1.676 12.953 ( -0.000 0.163 -0.000) 0.163 13.314 ( 0.000 -3.209 0.000) 3.209 13.478 ( -0.000 0.425 -0.000) 0.425 14.441 ( -0.000 5.568 -0.000) 5.568 14.983 ( -0.000 4.535 -0.000) 4.535 15.093 ( 0.000 -0.465 0.000) 0.465 15.536 ( 0.000 -7.231 0.000) 7.231 15.639 ( -0.000 0.686 -0.000) 0.686 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 11.795 -0.000 11.327) 16.353 1.556 ( 12.338 -0.000 5.303) 13.430 1.729 ( 2.847 -0.000 -9.224) 9.654 1.782 ( -2.589 0.000 2.801) 3.815 1.894 ( -1.170 0.000 -2.827) 3.060 2.119 ( 4.872 -0.000 -2.495) 5.473 2.121 ( -0.436 0.000 -1.705) 1.759 2.511 ( 3.107 -0.000 -2.396) 3.924 2.594 ( 8.577 -0.000 -0.694) 8.605 2.617 ( 20.593 -0.000 6.354) 21.551 2.705 ( -1.988 0.000 2.601) 3.273 2.824 ( -2.408 0.000 -0.197) 2.416 2.864 ( -2.361 0.000 -4.228) 4.843 2.940 ( -5.219 0.000 2.775) 5.911 2.993 ( 2.716 -0.000 1.173) 2.958 3.095 ( -2.113 0.000 -0.751) 2.242 3.338 ( 3.071 -0.000 2.864) 4.199 3.346 ( 0.298 -0.000 -1.265) 1.299 3.512 ( 2.682 -0.000 0.920) 2.836 3.570 ( 0.457 -0.000 0.867) 0.980 3.600 ( -2.666 0.000 2.193) 3.452 3.696 ( 0.501 -0.000 1.547) 1.626 3.719 ( -0.184 0.000 -7.227) 7.229 3.948 ( 4.258 -0.000 0.447) 4.281 4.049 ( 6.629 -0.000 -5.168) 8.406 4.060 ( 8.016 -0.000 3.527) 8.757 4.069 ( -4.266 0.000 3.659) 5.620 4.142 ( 0.798 -0.000 -2.968) 3.074 4.265 ( 2.962 -0.000 -0.231) 2.971 4.308 ( 1.732 -0.000 -3.611) 4.005 4.378 ( 4.697 -0.000 0.230) 4.703 4.439 ( 1.767 -0.000 0.322) 1.796 4.644 ( -2.390 0.000 4.865) 5.421 4.705 ( 1.139 -0.000 -4.828) 4.961 4.733 ( -3.334 0.000 0.332) 3.351 4.815 ( -4.198 0.000 -5.778) 7.142 4.936 ( 0.403 -0.000 -2.878) 2.906 4.961 ( -1.594 0.000 -1.819) 2.419 5.032 ( -2.665 0.000 2.502) 3.655 5.100 ( -3.524 0.000 -2.970) 4.608 5.152 ( 1.193 -0.000 -2.163) 2.470 5.333 ( -1.391 0.000 0.560) 1.500 5.366 ( -7.168 0.000 11.968) 13.951 5.382 ( -4.700 0.000 -5.158) 6.978 5.396 ( 1.100 -0.000 -2.174) 2.436 5.583 ( -4.163 0.000 -1.463) 4.413 5.596 ( 0.194 -0.000 -2.742) 2.749 5.681 ( 6.503 -0.000 -1.852) 6.761 5.777 ( 2.573 -0.000 0.585) 2.639 5.791 ( -1.030 0.000 3.329) 3.484 5.905 ( 3.189 -0.000 6.440) 7.186 5.984 ( -3.940 0.000 5.595) 6.843 6.066 ( 2.418 -0.000 -5.685) 6.178 6.127 ( -2.260 0.000 -2.290) 3.218 6.191 ( -0.779 0.000 6.614) 6.660 6.269 ( -0.550 0.000 -1.844) 1.924 6.459 ( 0.550 -0.000 -1.931) 2.008 6.586 ( 1.521 -0.000 -5.226) 5.443 6.652 ( 1.131 -0.000 0.467) 1.224 6.883 ( -0.965 0.000 -2.823) 2.983 6.966 ( -1.434 0.000 -0.847) 1.665 6.970 ( -6.900 0.000 6.729) 9.638 7.113 ( 1.243 -0.000 0.819) 1.489 7.298 ( -4.763 0.000 2.667) 5.459 7.368 ( 1.947 -0.000 -1.942) 2.749 7.384 ( -0.215 0.000 0.915) 0.940 7.556 ( -1.622 0.000 1.010) 1.911 7.758 ( -1.739 0.000 0.489) 1.806 7.789 ( 1.524 -0.000 0.465) 1.594 7.831 ( 1.210 -0.000 1.426) 1.870 7.864 ( -1.214 0.000 9.880) 9.954 7.896 ( -0.952 0.000 0.115) 0.959 8.074 ( 0.263 -0.000 -9.104) 9.107 8.120 ( -2.621 0.000 1.901) 3.238 8.275 ( 6.149 -0.000 -0.984) 6.227 8.374 ( -2.285 0.000 -1.239) 2.600 8.388 ( 0.185 -0.000 2.914) 2.920 8.408 ( -0.401 0.000 1.619) 1.668 8.611 ( -2.022 0.000 -0.661) 2.127 8.640 ( -8.767 0.000 -4.227) 9.733 8.933 ( 2.028 -0.000 2.497) 3.216 9.044 ( 4.157 -0.000 4.403) 6.055 9.277 ( -2.394 0.000 -4.266) 4.892 9.287 ( -1.352 0.000 1.829) 2.274 9.509 ( 1.459 -0.000 -1.967) 2.449 9.607 ( -0.783 0.000 -0.697) 1.049 9.673 ( -3.138 0.000 0.492) 3.176 9.877 ( 0.117 -0.000 0.895) 0.902 9.943 ( -2.358 0.000 -0.543) 2.420 9.991 ( -1.937 0.000 -3.784) 4.251 10.068 ( -2.653 0.000 1.470) 3.033 10.237 ( -3.551 0.000 -5.388) 6.452 10.284 ( -1.233 0.000 0.957) 1.561 10.409 ( -0.350 0.000 -3.060) 3.080 10.410 ( -0.793 0.000 1.031) 1.301 10.541 ( -0.672 0.000 -0.745) 1.003 10.737 ( 6.552 -0.000 1.180) 6.658 10.810 ( -1.125 0.000 4.681) 4.815 10.873 ( -0.993 0.000 -3.705) 3.836 10.899 ( 0.912 -0.000 -1.116) 1.442 11.173 ( 1.813 -0.000 1.366) 2.269 11.181 ( 1.058 -0.000 0.758) 1.301 11.232 ( -5.682 0.000 -0.764) 5.734 11.261 ( 1.112 -0.000 -0.246) 1.139 11.411 ( -1.251 0.000 -4.252) 4.433 11.550 ( -0.593 0.000 -0.985) 1.150 11.606 ( 1.435 -0.000 0.930) 1.709 11.721 ( 2.511 -0.000 -0.587) 2.579 11.898 ( 1.722 -0.000 0.709) 1.862 12.124 ( -1.017 0.000 1.849) 2.111 12.153 ( 3.484 -0.000 0.788) 3.572 12.751 ( 3.641 -0.000 2.223) 4.266 12.790 ( 0.087 -0.000 0.329) 0.341 13.406 ( -0.069 0.000 -0.329) 0.336 13.530 ( 1.034 -0.000 0.393) 1.106 14.730 ( 2.454 -0.000 -2.517) 3.515 15.062 ( 9.799 -0.000 1.947) 9.991 15.129 ( 0.934 -0.000 0.468) 1.044 15.449 ( -11.708 0.000 4.217) 12.444 15.531 ( 0.832 -0.000 -0.790) 1.147 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 6.339 11.592 3.773) 13.740 1.662 ( 1.700 -1.341 -0.084) 2.167 1.727 ( 1.305 -3.034 -3.770) 5.012 1.849 ( 1.999 -6.547 3.109) 7.518 1.901 ( 5.002 0.983 3.920) 6.431 2.064 ( -2.334 3.660 -2.756) 5.142 2.167 ( 1.028 -4.969 -2.751) 5.772 2.442 ( 2.675 7.893 -0.939) 8.387 2.563 ( 1.446 10.717 -0.065) 10.815 2.645 ( 3.699 4.676 3.337) 6.833 2.751 ( 0.284 -0.648 -4.942) 4.992 2.816 ( -3.231 -1.243 -2.853) 4.486 2.870 ( -1.407 4.821 0.728) 5.075 2.981 ( 4.115 -9.779 6.840) 12.623 3.057 ( 2.217 -2.939 1.468) 3.963 3.101 ( -1.068 -2.771 -0.573) 3.025 3.300 ( 0.305 5.835 0.804) 5.898 3.381 ( 1.899 3.968 -3.521) 5.635 3.430 ( 2.413 0.073 1.607) 2.900 3.553 ( -3.033 2.317 -0.142) 3.820 3.602 ( -1.316 -2.772 3.348) 4.542 3.708 ( -0.166 -2.978 -1.443) 3.313 3.857 ( 2.240 -9.614 -3.820) 10.585 3.973 ( 3.073 2.724 0.769) 4.178 4.020 ( -0.718 0.870 2.535) 2.775 4.059 ( 3.071 2.091 -0.393) 3.736 4.162 ( 2.094 -2.906 0.261) 3.591 4.230 ( 1.034 -9.190 0.011) 9.248 4.269 ( 0.131 -2.064 -2.548) 3.281 4.358 ( 5.983 -2.777 -0.720) 6.635 4.437 ( -0.981 -1.887 0.407) 2.165 4.480 ( 6.081 -3.195 3.460) 7.692 4.668 ( -5.919 0.498 -5.873) 8.353 4.687 ( -2.107 -0.941 -1.663) 2.844 4.706 ( -4.922 0.168 1.581) 5.172 4.739 ( 0.706 -1.600 0.569) 1.839 4.913 ( -0.763 1.371 2.048) 2.580 4.969 ( 3.663 -3.033 -2.257) 5.264 5.026 ( -4.069 -3.407 -3.482) 6.347 5.072 ( 0.193 1.059 -0.453) 1.168 5.193 ( 1.320 -2.518 2.330) 3.676 5.247 ( -4.672 2.682 -3.400) 6.370 5.334 ( -1.022 -0.118 -5.281) 5.380 5.374 ( -3.760 0.454 7.646) 8.533 5.427 ( 0.973 -1.196 0.595) 1.653 5.476 ( -2.468 3.776 -1.562) 4.774 5.593 ( 1.311 6.702 1.467) 6.984 5.655 ( 1.800 -5.718 -2.209) 6.388 5.744 ( 2.789 3.630 1.017) 4.690 5.800 ( -3.709 10.954 2.381) 11.808 5.943 ( -0.615 1.832 -3.572) 4.061 5.982 ( -0.201 1.449 1.676) 2.225 6.113 ( 4.198 -7.574 6.707) 10.953 6.205 ( 1.223 -8.803 1.062) 8.951 6.253 ( 0.791 -4.233 -0.443) 4.329 6.301 ( -3.548 -5.731 -0.905) 6.801 6.475 ( -0.150 -2.765 -2.135) 3.496 6.545 ( 0.218 1.237 -3.053) 3.301 6.662 ( 0.821 0.354 -0.367) 0.967 6.827 ( 0.289 5.286 -1.095) 5.406 6.927 ( -3.321 1.508 2.999) 4.722 6.979 ( -1.811 -3.650 -0.034) 4.075 7.112 ( 0.962 1.607 0.532) 1.947 7.322 ( -0.530 -1.607 0.771) 1.859 7.347 ( -1.236 2.624 -0.122) 2.903 7.402 ( 1.412 -3.088 -0.425) 3.422 7.549 ( -2.211 -0.710 0.571) 2.392 7.747 ( -0.438 -0.320 -0.234) 0.590 7.794 ( 0.597 1.726 1.960) 2.679 7.816 ( 0.306 0.789 -0.975) 1.291 7.899 ( -0.400 -0.678 1.181) 1.419 7.904 ( 0.223 1.002 6.003) 6.090 8.056 ( -1.152 -3.526 -6.431) 7.424 8.197 ( -0.239 -8.384 1.915) 8.603 8.314 ( 6.357 2.152 -0.804) 6.760 8.326 ( -0.728 4.351 0.305) 4.422 8.397 ( -0.180 1.101 3.446) 3.622 8.424 ( -0.484 -2.023 -0.104) 2.083 8.515 ( -6.993 2.645 -3.676) 8.331 8.559 ( -2.482 3.056 -1.478) 4.205 8.957 ( 1.519 0.688 1.359) 2.151 9.096 ( 3.051 1.189 2.617) 4.192 9.188 ( -3.151 3.718 -2.304) 5.390 9.303 ( 0.099 -0.745 0.713) 1.036 9.484 ( 0.931 3.101 -1.586) 3.605 9.618 ( -0.979 -2.644 0.014) 2.820 9.692 ( -0.743 -4.481 0.693) 4.595 9.873 ( -0.184 0.150 0.148) 0.280 9.928 ( -0.949 0.317 -0.743) 1.247 9.974 ( -1.594 -0.841 -1.220) 2.176 10.066 ( -1.094 -2.225 0.113) 2.482 10.203 ( -1.648 -1.409 -1.830) 2.838 10.278 ( 2.822 3.869 0.300) 4.799 10.355 ( -3.518 -2.280 -1.072) 4.327 10.433 ( -0.301 -0.764 -0.205) 0.846 10.564 ( -0.220 -2.982 -0.255) 3.001 10.765 ( -1.333 2.737 1.030) 3.214 10.826 ( 2.375 -0.143 1.879) 3.032 10.849 ( 4.662 -0.652 -1.302) 4.884 10.936 ( -2.003 -2.864 -1.334) 3.741 11.153 ( -3.760 2.776 -0.657) 4.719 11.181 ( 1.295 1.664 -0.321) 2.133 11.199 ( 0.128 -0.692 1.430) 1.594 11.257 ( 0.211 1.486 -0.931) 1.766 11.406 ( -0.856 -2.882 -1.070) 3.191 11.548 ( -0.256 -0.650 -0.976) 1.201 11.628 ( 0.783 -0.974 0.402) 1.312 11.729 ( 1.243 0.766 -0.231) 1.479 11.910 ( 0.939 0.491 0.517) 1.179 12.119 ( -0.523 0.875 0.976) 1.411 12.140 ( 1.596 4.841 0.286) 5.105 12.771 ( 2.624 1.709 0.949) 3.272 12.821 ( -0.703 -3.126 0.886) 3.324 13.378 ( 0.110 3.039 -0.046) 3.041 13.537 ( 0.389 0.478 0.131) 0.631 14.703 ( 1.662 3.731 -1.149) 4.243 15.109 ( 4.670 2.152 0.795) 5.203 15.188 ( 3.429 -1.591 2.424) 4.491 15.333 ( -8.021 2.573 -0.791) 8.460 15.567 ( -0.604 -3.295 0.299) 3.363 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 15.944 -0.000) 15.944 1.660 ( -0.000 2.188 -0.000) 2.188 1.748 ( -0.000 0.636 -0.000) 0.636 1.937 ( -0.000 4.770 -0.000) 4.770 1.974 ( 0.000 -1.350 0.000) 1.350 2.002 ( 0.000 -7.191 0.000) 7.191 2.261 ( 0.000 -7.140 0.000) 7.140 2.322 ( -0.000 7.436 -0.000) 7.436 2.384 ( -0.000 11.217 -0.000) 11.217 2.554 ( -0.000 9.282 -0.000) 9.282 2.712 ( -0.000 4.180 -0.000) 4.180 2.786 ( -0.000 2.333 -0.000) 2.333 2.834 ( 0.000 -1.244 0.000) 1.244 3.050 ( -0.000 4.996 -0.000) 4.996 3.138 ( 0.000 -1.833 0.000) 1.833 3.141 ( 0.000 -3.643 0.000) 3.643 3.208 ( -0.000 3.737 -0.000) 3.737 3.386 ( 0.000 -5.842 0.000) 5.842 3.505 ( -0.000 0.660 -0.000) 0.660 3.510 ( 0.000 -5.114 0.000) 5.114 3.671 ( 0.000 -4.164 0.000) 4.164 3.724 ( 0.000 -0.114 0.000) 0.114 3.935 ( -0.000 1.020 -0.000) 1.020 3.941 ( -0.000 0.905 -0.000) 0.905 4.016 ( 0.000 -0.049 0.000) 0.049 4.098 ( 0.000 -5.481 0.000) 5.481 4.210 ( 0.000 -2.081 0.000) 2.081 4.276 ( 0.000 -2.990 0.000) 2.990 4.422 ( 0.000 -7.734 0.000) 7.734 4.468 ( 0.000 -3.202 0.000) 3.202 4.469 ( 0.000 -8.339 0.000) 8.339 4.492 ( -0.000 7.601 -0.000) 7.601 4.655 ( 0.000 -3.313 0.000) 3.313 4.700 ( -0.000 2.010 -0.000) 2.010 4.708 ( 0.000 -3.290 0.000) 3.290 4.749 ( 0.000 -7.501 0.000) 7.501 4.940 ( 0.000 -0.212 0.000) 0.212 4.997 ( -0.000 2.106 -0.000) 2.106 5.017 ( -0.000 1.278 -0.000) 1.278 5.105 ( -0.000 6.478 -0.000) 6.478 5.134 ( 0.000 -8.402 0.000) 8.402 5.289 ( 0.000 -2.879 0.000) 2.879 5.312 ( 0.000 -1.019 0.000) 1.019 5.385 ( -0.000 0.782 -0.000) 0.782 5.402 ( 0.000 -0.998 0.000) 0.998 5.502 ( 0.000 -5.186 0.000) 5.186 5.537 ( -0.000 1.148 -0.000) 1.148 5.596 ( -0.000 7.163 -0.000) 7.163 5.737 ( 0.000 -2.702 0.000) 2.702 5.765 ( -0.000 0.176 -0.000) 0.176 5.877 ( -0.000 9.354 -0.000) 9.354 5.921 ( 0.000 -2.993 0.000) 2.993 6.224 ( -0.000 3.792 -0.000) 3.792 6.243 ( -0.000 2.288 -0.000) 2.288 6.275 ( 0.000 -1.794 0.000) 1.794 6.441 ( 0.000 -5.581 0.000) 5.581 6.541 ( 0.000 -7.647 0.000) 7.647 6.560 ( 0.000 -4.517 0.000) 4.517 6.636 ( -0.000 4.510 -0.000) 4.510 6.728 ( -0.000 5.002 -0.000) 5.002 6.916 ( 0.000 -1.053 0.000) 1.053 7.087 ( 0.000 -11.789 0.000) 11.789 7.089 ( -0.000 2.048 -0.000) 2.048 7.220 ( -0.000 7.706 -0.000) 7.706 7.371 ( 0.000 -0.723 0.000) 0.723 7.501 ( 0.000 -8.489 0.000) 8.489 7.556 ( 0.000 -1.034 0.000) 1.034 7.765 ( 0.000 -1.400 0.000) 1.400 7.780 ( -0.000 1.019 -0.000) 1.019 7.816 ( 0.000 -0.366 0.000) 0.366 7.909 ( 0.000 -0.908 0.000) 0.908 7.941 ( 0.000 -3.433 0.000) 3.433 8.055 ( -0.000 1.064 -0.000) 1.064 8.223 ( -0.000 6.705 -0.000) 6.705 8.292 ( -0.000 2.996 -0.000) 2.996 8.348 ( 0.000 -7.436 0.000) 7.436 8.397 ( -0.000 3.384 -0.000) 3.384 8.405 ( -0.000 4.609 -0.000) 4.609 8.408 ( -0.000 0.666 -0.000) 0.666 8.564 ( 0.000 -6.569 0.000) 6.569 8.966 ( 0.000 -0.545 0.000) 0.545 9.069 ( -0.000 5.680 -0.000) 5.680 9.106 ( -0.000 2.550 -0.000) 2.550 9.302 ( -0.000 1.649 -0.000) 1.649 9.417 ( -0.000 4.608 -0.000) 4.608 9.683 ( 0.000 -5.312 0.000) 5.312 9.777 ( 0.000 -5.299 0.000) 5.299 9.885 ( 0.000 -0.744 0.000) 0.744 9.909 ( 0.000 -0.572 0.000) 0.572 9.950 ( -0.000 2.439 -0.000) 2.439 10.140 ( 0.000 -7.044 0.000) 7.044 10.203 ( -0.000 5.084 -0.000) 5.084 10.212 ( 0.000 -0.833 0.000) 0.833 10.427 ( 0.000 -6.623 0.000) 6.623 10.432 ( -0.000 0.589 -0.000) 0.589 10.607 ( 0.000 -2.453 0.000) 2.453 10.740 ( 0.000 -0.833 0.000) 0.833 10.816 ( -0.000 1.580 -0.000) 1.580 10.920 ( -0.000 0.781 -0.000) 0.781 10.930 ( 0.000 -2.131 0.000) 2.131 11.084 ( -0.000 3.256 -0.000) 3.256 11.138 ( -0.000 3.368 -0.000) 3.368 11.225 ( 0.000 -1.799 0.000) 1.799 11.236 ( -0.000 0.489 -0.000) 0.489 11.455 ( 0.000 -3.502 0.000) 3.502 11.545 ( -0.000 0.398 -0.000) 0.398 11.654 ( 0.000 -1.705 0.000) 1.705 11.717 ( -0.000 1.296 -0.000) 1.296 11.904 ( -0.000 1.007 -0.000) 1.007 12.044 ( -0.000 7.712 -0.000) 7.712 12.102 ( -0.000 1.380 -0.000) 1.380 12.751 ( -0.000 2.670 -0.000) 2.670 12.879 ( 0.000 -3.951 0.000) 3.951 13.324 ( -0.000 3.336 -0.000) 3.336 13.523 ( -0.000 1.471 -0.000) 1.471 14.633 ( -0.000 5.688 -0.000) 5.688 15.098 ( -0.000 2.589 -0.000) 2.589 15.172 ( -0.000 4.972 -0.000) 4.972 15.323 ( 0.000 -5.499 0.000) 5.499 15.612 ( 0.000 -2.437 0.000) 2.437 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 -0.000 0.000) 0.000 1.654 ( 0.000 -0.000 0.000) 0.000 1.692 ( 0.000 -0.000 -0.000) 0.000 1.805 ( -0.000 0.000 0.000) 0.000 1.951 ( 0.000 -0.000 0.000) 0.000 2.074 ( 0.000 -0.000 0.000) 0.000 2.105 ( 0.000 -0.000 -0.000) 0.000 2.529 ( 0.000 -0.000 0.000) 0.000 2.687 ( 0.000 -0.000 0.000) 0.000 2.725 ( 0.000 -0.000 0.000) 0.000 2.734 ( 0.000 -0.000 -0.000) 0.000 2.763 ( 0.000 -0.000 0.000) 0.000 2.907 ( 0.000 -0.000 0.000) 0.000 2.916 ( 0.000 -0.000 0.000) 0.000 3.035 ( 0.000 -0.000 -0.000) 0.000 3.066 ( 0.000 -0.000 0.000) 0.000 3.331 ( 0.000 -0.000 0.000) 0.000 3.391 ( 0.000 -0.000 0.000) 0.000 3.558 ( 0.000 -0.000 -0.000) 0.000 3.579 ( 0.000 -0.000 0.000) 0.000 3.579 ( -0.000 0.000 0.000) 0.000 3.661 ( 0.000 -0.000 0.000) 0.000 3.720 ( 0.000 -0.000 0.000) 0.000 4.015 ( 0.000 -0.000 0.000) 0.000 4.027 ( -0.000 0.000 0.000) 0.000 4.092 ( 0.000 -0.000 -0.000) 0.000 4.145 ( 0.000 -0.000 0.000) 0.000 4.146 ( 0.000 -0.000 -0.000) 0.000 4.268 ( 0.000 -0.000 -0.000) 0.000 4.382 ( 0.000 -0.000 0.000) 0.000 4.409 ( -0.000 0.000 0.000) 0.000 4.469 ( 0.000 -0.000 0.000) 0.000 4.633 ( 0.000 -0.000 0.000) 0.000 4.654 ( 0.000 -0.000 -0.000) 0.000 4.703 ( 0.000 -0.000 0.000) 0.000 4.748 ( 0.000 -0.000 0.000) 0.000 4.900 ( 0.000 -0.000 0.000) 0.000 4.937 ( 0.000 -0.000 0.000) 0.000 4.958 ( 0.000 -0.000 -0.000) 0.000 5.117 ( 0.000 -0.000 0.000) 0.000 5.163 ( 0.000 -0.000 0.000) 0.000 5.220 ( -0.000 0.000 -0.000) 0.000 5.341 ( 0.000 -0.000 0.000) 0.000 5.382 ( -0.000 0.000 0.000) 0.000 5.429 ( 0.000 -0.000 0.000) 0.000 5.512 ( 0.000 -0.000 0.000) 0.000 5.575 ( 0.000 -0.000 0.000) 0.000 5.773 ( 0.000 -0.000 0.000) 0.000 5.794 ( -0.000 0.000 0.000) 0.000 5.798 ( 0.000 -0.000 0.000) 0.000 5.963 ( 0.000 -0.000 0.000) 0.000 5.970 ( 0.000 -0.000 0.000) 0.000 6.075 ( 0.000 -0.000 -0.000) 0.000 6.100 ( -0.000 0.000 -0.000) 0.000 6.216 ( 0.000 -0.000 0.000) 0.000 6.268 ( 0.000 -0.000 0.000) 0.000 6.451 ( 0.000 -0.000 0.000) 0.000 6.540 ( 0.000 -0.000 0.000) 0.000 6.668 ( 0.000 -0.000 0.000) 0.000 6.872 ( 0.000 -0.000 -0.000) 0.000 6.937 ( -0.000 0.000 0.000) 0.000 6.946 ( 0.000 -0.000 0.000) 0.000 7.132 ( 0.000 -0.000 0.000) 0.000 7.266 ( 0.000 -0.000 0.000) 0.000 7.387 ( 0.000 -0.000 0.000) 0.000 7.401 ( 0.000 -0.000 0.000) 0.000 7.533 ( 0.000 -0.000 0.000) 0.000 7.740 ( 0.000 -0.000 0.000) 0.000 7.805 ( 0.000 -0.000 0.000) 0.000 7.863 ( 0.000 -0.000 0.000) 0.000 7.883 ( 0.000 -0.000 0.000) 0.000 7.952 ( 0.000 -0.000 -0.000) 0.000 7.985 ( 0.000 -0.000 0.000) 0.000 8.110 ( 0.000 -0.000 0.000) 0.000 8.343 ( 0.000 -0.000 0.000) 0.000 8.371 ( 0.000 -0.000 0.000) 0.000 8.413 ( 0.000 -0.000 0.000) 0.000 8.426 ( 0.000 -0.000 0.000) 0.000 8.468 ( 0.000 -0.000 -0.000) 0.000 8.592 ( 0.000 -0.000 0.000) 0.000 8.971 ( 0.000 -0.000 0.000) 0.000 9.134 ( 0.000 -0.000 0.000) 0.000 9.196 ( 0.000 -0.000 0.000) 0.000 9.286 ( 0.000 -0.000 0.000) 0.000 9.510 ( 0.000 -0.000 0.000) 0.000 9.594 ( 0.000 -0.000 0.000) 0.000 9.645 ( 0.000 -0.000 0.000) 0.000 9.888 ( 0.000 -0.000 0.000) 0.000 9.919 ( 0.000 -0.000 -0.000) 0.000 9.947 ( 0.000 -0.000 0.000) 0.000 10.053 ( 0.000 -0.000 0.000) 0.000 10.175 ( 0.000 -0.000 0.000) 0.000 10.278 ( 0.000 -0.000 0.000) 0.000 10.379 ( 0.000 -0.000 0.000) 0.000 10.408 ( 0.000 -0.000 0.000) 0.000 10.530 ( 0.000 -0.000 0.000) 0.000 10.821 ( 0.000 -0.000 0.000) 0.000 10.823 ( 0.000 -0.000 -0.000) 0.000 10.843 ( 0.000 -0.000 0.000) 0.000 10.903 ( 0.000 -0.000 0.000) 0.000 11.148 ( 0.000 -0.000 0.000) 0.000 11.199 ( 0.000 -0.000 0.000) 0.000 11.209 ( 0.000 -0.000 0.000) 0.000 11.276 ( 0.000 -0.000 0.000) 0.000 11.367 ( 0.000 -0.000 -0.000) 0.000 11.538 ( 0.000 -0.000 0.000) 0.000 11.624 ( 0.000 -0.000 0.000) 0.000 11.740 ( 0.000 -0.000 0.000) 0.000 11.919 ( 0.000 -0.000 0.000) 0.000 12.126 ( 0.000 -0.000 0.000) 0.000 12.189 ( 0.000 -0.000 -0.000) 0.000 12.793 ( 0.000 -0.000 0.000) 0.000 12.800 ( 0.000 -0.000 0.000) 0.000 13.403 ( 0.000 -0.000 0.000) 0.000 13.543 ( 0.000 -0.000 0.000) 0.000 14.735 ( 0.000 -0.000 0.000) 0.000 15.141 ( 0.000 -0.000 0.000) 0.000 15.230 ( -0.000 0.000 0.000) 0.000 15.302 ( 0.000 -0.000 0.000) 0.000 15.533 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 2.615 -0.000 25.007) 25.143 0.538 ( -0.409 0.000 25.466) 25.469 0.971 ( -2.867 0.000 45.587) 45.677 1.773 ( -0.172 0.000 -11.978) 11.979 1.807 ( 0.382 -0.000 -12.274) 12.280 1.919 ( -3.005 0.000 1.829) 3.518 2.080 ( -2.068 0.000 0.195) 2.077 2.205 ( 1.913 -0.000 4.112) 4.535 2.230 ( -3.717 0.000 0.110) 3.718 2.411 ( 1.316 -0.000 -1.545) 2.029 2.708 ( -0.834 0.000 1.927) 2.100 2.799 ( 2.662 -0.000 -1.018) 2.850 2.832 ( -2.266 0.000 5.734) 6.165 2.908 ( -2.703 0.000 0.884) 2.844 3.093 ( 0.208 -0.000 3.620) 3.626 3.272 ( -0.616 0.000 -0.163) 0.637 3.288 ( 2.435 -0.000 -1.355) 2.786 3.345 ( -1.949 0.000 1.463) 2.437 3.424 ( 4.426 -0.000 -4.759) 6.499 3.509 ( 0.045 -0.000 -1.126) 1.127 3.532 ( 7.117 -0.000 -1.719) 7.322 3.606 ( -1.421 0.000 1.507) 2.072 3.693 ( 2.456 -0.000 -1.150) 2.712 3.779 ( -2.224 0.000 -0.353) 2.252 3.796 ( 1.857 -0.000 -3.150) 3.657 3.914 ( 2.565 -0.000 -6.718) 7.191 4.108 ( -0.420 0.000 1.058) 1.138 4.133 ( -7.775 0.000 -3.399) 8.485 4.239 ( -2.309 0.000 -0.701) 2.413 4.267 ( 0.821 -0.000 -0.238) 0.854 4.365 ( -0.866 0.000 -11.865) 11.896 4.491 ( -1.555 0.000 0.485) 1.629 4.594 ( 1.892 -0.000 4.401) 4.791 4.624 ( 5.476 -0.000 -10.248) 11.619 4.701 ( 2.419 -0.000 -1.747) 2.984 4.796 ( -4.123 0.000 -4.974) 6.461 4.838 ( 2.134 -0.000 1.042) 2.375 4.996 ( 0.402 -0.000 8.629) 8.639 5.134 ( 3.232 -0.000 -2.307) 3.971 5.151 ( 2.192 -0.000 -3.808) 4.394 5.288 ( 1.946 -0.000 -1.681) 2.572 5.362 ( 2.250 -0.000 -1.729) 2.838 5.443 ( 1.354 -0.000 2.043) 2.451 5.470 ( -3.775 0.000 6.115) 7.187 5.528 ( -0.797 0.000 8.680) 8.717 5.624 ( 1.190 -0.000 1.570) 1.970 5.648 ( 3.707 -0.000 -3.095) 4.830 5.688 ( -8.553 0.000 1.206) 8.637 5.697 ( -1.065 0.000 -1.380) 1.743 5.834 ( -3.799 0.000 -4.527) 5.910 5.852 ( 0.259 -0.000 -2.614) 2.626 6.000 ( -0.715 0.000 7.517) 7.551 6.026 ( 6.435 -0.000 1.113) 6.530 6.122 ( -1.526 0.000 -2.764) 3.157 6.256 ( -1.952 0.000 4.382) 4.797 6.296 ( -3.710 0.000 -0.851) 3.807 6.665 ( -3.012 0.000 0.477) 3.049 6.696 ( -1.192 0.000 -4.310) 4.471 6.726 ( -3.052 0.000 -3.140) 4.379 6.890 ( 1.875 -0.000 -0.351) 1.908 7.049 ( -0.252 0.000 -1.579) 1.599 7.090 ( -5.868 0.000 -0.287) 5.875 7.199 ( -1.891 0.000 4.994) 5.340 7.229 ( 4.443 -0.000 8.479) 9.572 7.393 ( 1.000 -0.000 4.108) 4.228 7.508 ( 2.284 -0.000 -3.128) 3.873 7.575 ( -0.051 0.000 -0.355) 0.359 7.668 ( -0.670 0.000 -0.127) 0.682 7.722 ( 1.888 -0.000 3.125) 3.651 7.768 ( 0.420 -0.000 3.712) 3.736 7.962 ( -2.772 0.000 -3.537) 4.494 8.019 ( -9.748 0.000 -0.879) 9.788 8.174 ( 4.564 -0.000 4.672) 6.532 8.198 ( -0.810 0.000 1.288) 1.521 8.270 ( -1.747 0.000 -1.634) 2.392 8.417 ( -9.959 0.000 -4.982) 11.135 8.449 ( 1.063 -0.000 -1.570) 1.896 8.517 ( -0.546 0.000 2.087) 2.157 8.690 ( 2.840 -0.000 4.575) 5.384 8.840 ( 3.514 -0.000 1.656) 3.885 8.844 ( -0.931 0.000 -4.898) 4.985 9.047 ( -5.632 0.000 -3.013) 6.387 9.303 ( 0.561 -0.000 2.926) 2.979 9.309 ( 2.966 -0.000 -5.712) 6.436 9.429 ( 13.853 -0.000 0.143) 13.853 9.632 ( 0.355 -0.000 -0.737) 0.818 9.813 ( 5.199 -0.000 4.889) 7.136 9.868 ( -0.283 0.000 1.055) 1.092 10.004 ( 1.686 -0.000 -3.559) 3.939 10.151 ( 3.311 -0.000 -1.130) 3.499 10.168 ( 2.518 -0.000 -0.769) 2.633 10.297 ( -2.577 0.000 -2.169) 3.368 10.408 ( 0.522 -0.000 1.378) 1.474 10.512 ( -1.850 0.000 -0.810) 2.019 10.582 ( -0.127 0.000 -0.454) 0.471 10.607 ( 14.751 -0.000 1.610) 14.839 10.624 ( -5.209 0.000 0.909) 5.288 10.807 ( 4.088 -0.000 -0.375) 4.106 10.821 ( -0.902 0.000 0.371) 0.976 10.910 ( -3.277 0.000 -0.909) 3.401 10.974 ( 2.396 -0.000 2.604) 3.539 11.214 ( -1.668 0.000 0.057) 1.669 11.238 ( 3.649 -0.000 0.319) 3.663 11.454 ( 2.622 -0.000 -1.584) 3.064 11.470 ( 0.134 -0.000 -1.074) 1.082 11.554 ( -2.367 0.000 -0.764) 2.488 11.584 ( 1.641 -0.000 -2.921) 3.350 11.630 ( 2.741 -0.000 -5.117) 5.805 11.800 ( -0.537 0.000 -0.214) 0.578 11.871 ( -0.860 0.000 4.041) 4.131 12.178 ( -2.640 0.000 6.518) 7.032 12.565 ( -30.881 0.000 -0.925) 30.895 12.766 ( 0.806 -0.000 -0.835) 1.160 13.418 ( -0.086 0.000 -0.272) 0.285 13.478 ( -0.612 0.000 0.954) 1.134 14.291 ( 2.490 -0.000 1.267) 2.793 14.749 ( -0.426 0.000 -0.152) 0.452 15.065 ( 0.466 -0.000 -0.274) 0.541 15.504 ( -0.227 0.000 -0.695) 0.731 16.096 ( -4.357 0.000 0.210) 4.362 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 6.719 4.836 22.128) 23.626 0.832 ( 8.210 -9.472 20.987) 24.445 1.458 ( 9.554 -19.165 31.741) 38.290 1.679 ( 0.885 1.498 -11.090) 11.226 1.783 ( 4.950 -3.386 -13.786) 15.034 1.915 ( -0.257 -0.301 1.617) 1.665 2.004 ( -1.945 5.382 -0.790) 5.777 2.241 ( -5.290 -3.475 2.484) 6.799 2.287 ( 3.858 -3.971 1.808) 5.825 2.421 ( 2.671 -0.254 -1.867) 3.269 2.696 ( -0.885 4.685 2.550) 5.407 2.783 ( 1.450 2.880 2.453) 4.051 2.853 ( -0.238 -0.787 3.353) 3.452 2.907 ( -0.364 -1.479 -0.922) 1.781 3.110 ( -0.196 1.112 2.495) 2.738 3.229 ( -0.324 4.658 -4.607) 6.559 3.242 ( -0.479 2.796 -1.818) 3.369 3.378 ( 0.061 -3.674 -2.193) 4.279 3.405 ( 0.017 -0.330 0.138) 0.358 3.504 ( -0.800 -0.631 -0.190) 1.036 3.552 ( 5.562 2.097 -0.689) 5.984 3.689 ( -1.385 -0.006 -1.060) 1.744 3.707 ( 5.551 -6.794 -2.648) 9.165 3.799 ( 1.250 -4.408 -1.052) 4.701 3.880 ( 2.934 -7.550 0.783) 8.138 3.941 ( 1.102 -6.399 -6.808) 9.408 4.035 ( -2.757 2.798 -1.314) 4.142 4.116 ( 5.858 0.764 -2.068) 6.259 4.266 ( -3.127 -2.921 -2.984) 5.217 4.322 ( 0.103 -2.370 -6.383) 6.809 4.345 ( 0.972 -8.907 -3.129) 9.490 4.490 ( -3.703 -3.586 0.901) 5.233 4.587 ( 4.573 1.155 -3.682) 5.984 4.690 ( 1.485 -2.443 0.019) 2.859 4.718 ( 0.937 1.171 -4.188) 4.448 4.734 ( 4.360 -1.394 -3.069) 5.511 4.916 ( 2.217 -4.419 0.315) 4.954 5.048 ( 0.837 -0.152 7.099) 7.150 5.096 ( -1.480 1.023 0.081) 1.801 5.173 ( -1.101 0.096 -2.302) 2.553 5.284 ( 1.208 0.546 -1.313) 1.866 5.328 ( -0.852 3.321 -1.900) 3.920 5.419 ( -2.150 4.403 2.840) 5.663 5.442 ( 0.199 1.558 2.302) 2.787 5.497 ( -0.285 0.970 4.210) 4.329 5.591 ( -4.560 1.652 1.780) 5.166 5.628 ( -1.447 0.220 -1.795) 2.316 5.689 ( 1.974 0.777 -0.053) 2.122 5.741 ( -1.828 -4.919 2.419) 5.779 5.787 ( -0.704 3.316 -4.715) 5.807 5.958 ( -0.755 -3.413 0.305) 3.509 5.994 ( 3.091 -1.486 1.703) 3.830 6.069 ( -2.870 2.079 -1.493) 3.846 6.171 ( 1.743 -6.090 1.067) 6.424 6.185 ( -0.861 3.464 -3.570) 5.048 6.274 ( -1.444 0.278 4.006) 4.267 6.621 ( -4.891 3.877 3.670) 7.240 6.672 ( -2.129 -2.923 -4.344) 5.652 6.731 ( -0.596 -3.193 -4.816) 5.809 6.890 ( 0.402 2.647 -0.759) 2.783 6.984 ( -0.211 4.189 4.411) 6.087 7.075 ( -0.287 0.269 -2.132) 2.168 7.227 ( -4.152 -4.856 3.803) 7.435 7.285 ( 2.155 1.691 -4.038) 4.879 7.469 ( 0.582 -3.961 8.347) 9.257 7.524 ( 0.829 -1.191 -1.309) 1.954 7.610 ( 1.006 -3.394 -0.306) 3.553 7.675 ( 0.602 -0.453 0.598) 0.962 7.764 ( 2.446 0.427 2.840) 3.772 7.795 ( 1.259 0.552 6.584) 6.726 7.876 ( -12.791 -1.084 0.302) 12.840 7.970 ( -1.508 -0.063 -3.222) 3.558 8.141 ( -0.815 3.398 0.024) 3.494 8.244 ( 1.495 0.003 3.762) 4.048 8.258 ( -0.316 0.404 -1.213) 1.317 8.332 ( -5.368 -1.728 -2.063) 6.005 8.448 ( -0.304 -0.717 -1.269) 1.490 8.502 ( -2.297 1.798 2.828) 4.063 8.708 ( 2.227 3.077 2.485) 4.539 8.783 ( -2.876 1.666 -3.780) 5.033 8.892 ( 3.842 -0.421 -0.663) 3.921 9.000 ( -4.192 -0.649 -0.007) 4.242 9.266 ( 1.439 2.851 -4.892) 5.842 9.319 ( -0.114 1.589 2.478) 2.946 9.471 ( 4.273 1.026 -3.894) 5.872 9.646 ( 1.542 -1.524 -1.469) 2.619 9.753 ( -1.429 9.064 8.910) 12.790 9.898 ( 0.489 -1.292 0.710) 1.553 9.998 ( 1.682 0.039 -1.709) 2.398 10.121 ( 1.276 4.262 -3.899) 5.916 10.228 ( 0.818 -4.523 -1.410) 4.808 10.249 ( -1.526 6.407 3.598) 7.505 10.301 ( -5.364 3.090 -1.453) 6.359 10.420 ( 3.441 4.327 1.121) 5.641 10.567 ( -2.892 -1.023 2.575) 4.005 10.608 ( 0.876 -1.427 -2.357) 2.891 10.729 ( -5.571 -3.367 -1.542) 6.690 10.795 ( -3.339 0.870 2.263) 4.126 10.820 ( 1.150 0.215 1.370) 1.802 10.939 ( 5.891 1.985 -0.492) 6.236 11.026 ( 5.267 -2.006 1.510) 5.835 11.227 ( -3.465 -0.639 0.868) 3.629 11.245 ( -1.078 -5.020 -1.633) 5.387 11.398 ( -1.382 5.008 -1.262) 5.347 11.479 ( 3.043 -1.310 -1.781) 3.761 11.535 ( -0.899 0.781 -1.062) 1.596 11.579 ( 1.357 -0.252 -0.849) 1.620 11.621 ( 2.662 0.246 -4.276) 5.043 11.801 ( -0.229 -0.787 -0.060) 0.822 11.888 ( 1.538 1.143 1.955) 2.737 12.135 ( -0.352 4.091 5.643) 6.979 12.572 ( -8.240 -8.629 2.375) 12.165 12.800 ( 1.137 -3.703 -0.604) 3.920 13.388 ( -0.791 2.640 -1.516) 3.145 13.504 ( 0.199 -1.462 -0.560) 1.578 14.357 ( 8.683 0.508 -0.104) 8.698 14.764 ( 1.723 -1.903 -0.212) 2.576 15.146 ( 0.949 -7.021 -1.959) 7.350 15.470 ( 0.784 3.187 -1.661) 3.678 15.954 ( -10.640 6.746 5.595) 13.784 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 10.540 14.462 8.850) 19.964 1.182 ( 8.008 -10.881 14.799) 20.039 1.646 ( 1.940 0.922 0.752) 2.276 1.775 ( 0.801 -3.237 -10.435) 10.955 1.871 ( -2.359 3.157 2.468) 4.650 1.952 ( 8.467 -10.001 -3.105) 13.467 2.033 ( 6.669 -6.907 10.699) 14.375 2.256 ( -4.595 -2.838 3.067) 6.211 2.392 ( 2.511 -0.323 4.760) 5.391 2.428 ( 2.765 2.318 -2.350) 4.306 2.602 ( 0.182 4.114 4.289) 5.946 2.779 ( 1.347 1.325 -0.895) 2.090 2.907 ( 1.329 -1.953 5.338) 5.837 2.937 ( 1.705 -1.904 -0.123) 2.559 3.063 ( -3.099 4.643 2.874) 6.279 3.156 ( -0.356 -1.926 -5.470) 5.810 3.214 ( 1.236 -0.313 -1.951) 2.331 3.378 ( -4.683 0.230 1.527) 4.931 3.396 ( 4.172 2.347 -2.346) 5.331 3.549 ( 2.239 -3.162 1.733) 4.244 3.592 ( 2.456 -4.565 -4.922) 7.148 3.674 ( -1.083 0.405 0.432) 1.235 3.850 ( 6.060 -7.583 -3.294) 10.251 3.898 ( 0.431 -5.199 -1.482) 5.423 3.954 ( -0.318 -3.665 -4.369) 5.712 4.014 ( -0.320 -3.535 0.079) 3.551 4.083 ( 2.535 -9.595 -1.885) 10.101 4.186 ( 9.132 -2.176 -0.768) 9.419 4.268 ( -1.231 -2.482 -2.516) 3.743 4.326 ( 0.334 -3.163 -5.558) 6.403 4.467 ( 0.592 -4.358 -1.479) 4.640 4.543 ( -3.113 -5.772 0.233) 6.562 4.582 ( 4.385 2.274 -1.190) 5.081 4.637 ( -1.566 1.271 -5.031) 5.420 4.775 ( 2.605 -1.504 1.954) 3.588 4.815 ( 2.975 -6.940 -1.831) 7.770 4.978 ( 3.886 1.060 -0.880) 4.123 5.059 ( -4.952 1.381 1.963) 5.503 5.091 ( -6.081 2.453 -0.909) 6.620 5.121 ( 0.496 -1.494 5.619) 5.836 5.263 ( 1.526 3.823 1.157) 4.276 5.324 ( -0.118 -4.770 1.680) 5.058 5.382 ( -3.216 -2.044 -8.258) 9.095 5.416 ( 0.730 2.365 1.290) 2.791 5.500 ( 1.353 -0.310 4.237) 4.459 5.554 ( -2.603 0.726 3.538) 4.452 5.624 ( -2.763 3.102 -5.638) 7.003 5.651 ( -0.800 1.561 -2.225) 2.833 5.693 ( 1.349 1.978 3.250) 4.036 5.817 ( -1.958 -4.287 -1.985) 5.114 5.886 ( 1.281 6.901 -1.671) 7.215 5.967 ( -2.162 5.421 -0.795) 5.890 6.074 ( -2.785 -1.447 3.068) 4.389 6.128 ( 4.726 0.717 -3.924) 6.185 6.257 ( -0.756 0.211 4.396) 4.465 6.354 ( 2.311 -4.870 3.465) 6.408 6.538 ( -4.136 3.412 5.028) 7.351 6.665 ( -0.134 -1.071 -3.541) 3.702 6.730 ( -0.421 -0.243 -2.272) 2.324 6.802 ( -3.549 4.977 -0.063) 6.113 6.982 ( 0.753 -0.668 0.727) 1.241 7.031 ( -0.289 2.632 -2.807) 3.858 7.224 ( 1.412 2.600 -5.004) 5.814 7.322 ( -3.199 -6.961 0.895) 7.713 7.512 ( 1.038 1.055 -0.786) 1.676 7.537 ( -8.699 -1.386 3.815) 9.599 7.672 ( 2.192 -0.778 2.014) 3.077 7.694 ( -0.489 -1.761 1.090) 2.128 7.785 ( 2.243 0.687 3.811) 4.475 7.848 ( -4.316 -5.689 0.293) 7.147 7.864 ( 1.034 -2.185 4.692) 5.279 7.926 ( -3.575 0.811 -0.469) 3.696 8.111 ( 2.130 1.338 -0.916) 2.677 8.179 ( -2.891 3.150 -1.486) 4.527 8.270 ( 1.404 1.837 0.828) 2.456 8.364 ( -1.643 -3.853 1.678) 4.513 8.420 ( -3.721 1.591 0.657) 4.100 8.504 ( -0.238 -2.817 0.147) 2.831 8.683 ( 2.451 3.859 1.681) 4.871 8.702 ( -2.250 2.669 -1.538) 3.815 8.870 ( 1.474 3.211 -6.088) 7.039 8.996 ( -1.948 0.343 3.845) 4.324 9.191 ( 0.391 3.277 -4.764) 5.796 9.271 ( -0.069 5.927 1.906) 6.227 9.449 ( -1.240 -0.782 -5.306) 5.505 9.654 ( 3.485 6.762 5.390) 9.323 9.717 ( -0.503 -3.674 2.129) 4.276 9.935 ( -0.740 -2.252 1.611) 2.866 10.005 ( -0.534 0.710 -2.332) 2.495 10.023 ( 1.779 2.645 -3.914) 5.048 10.139 ( -3.376 4.492 3.572) 6.658 10.269 ( -3.220 -4.060 -1.901) 5.519 10.323 ( -0.140 -2.631 0.995) 2.817 10.399 ( 3.534 2.535 1.348) 4.554 10.556 ( -3.318 0.657 0.747) 3.463 10.630 ( 0.415 -3.093 -3.903) 4.998 10.698 ( -5.130 -1.584 -0.044) 5.369 10.769 ( -1.667 1.653 1.955) 3.055 10.874 ( -0.376 -3.622 2.908) 4.660 10.923 ( 3.879 3.838 -0.672) 5.499 11.089 ( 2.231 -0.273 0.918) 2.428 11.227 ( -3.207 -0.928 2.223) 4.011 11.309 ( -1.762 1.973 -1.403) 2.995 11.316 ( 3.307 -3.128 -3.022) 5.464 11.495 ( -0.566 1.284 -2.378) 2.761 11.527 ( 2.252 -2.571 -1.244) 3.637 11.598 ( 1.805 -1.137 -2.409) 3.218 11.619 ( 1.950 0.175 -1.299) 2.349 11.816 ( 0.407 -0.661 0.486) 0.916 11.875 ( 2.824 3.445 -0.336) 4.467 12.115 ( 0.653 2.800 3.944) 4.881 12.617 ( -4.927 -2.180 5.328) 7.577 12.876 ( 1.077 -4.003 0.488) 4.174 13.320 ( -0.167 3.573 -1.915) 4.057 13.503 ( 0.231 1.104 -0.384) 1.191 14.406 ( 5.124 0.847 0.041) 5.194 14.840 ( 4.022 -4.063 0.172) 5.720 15.213 ( -0.237 -0.071 1.377) 1.399 15.415 ( 1.724 1.317 -6.113) 6.487 15.818 ( -7.991 4.017 5.375) 10.435 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 14.646 11.849 -0.541) 18.847 1.477 ( 4.971 -9.118 9.281) 13.928 1.594 ( -0.532 6.644 -0.051) 6.665 1.776 ( -3.720 5.087 0.711) 6.341 1.848 ( 1.803 -8.983 -3.149) 9.688 2.093 ( 2.185 -3.951 -1.327) 4.706 2.186 ( -0.742 -2.401 2.223) 3.355 2.278 ( -1.887 6.721 -2.186) 7.315 2.291 ( -1.736 1.087 4.132) 4.612 2.480 ( 7.650 -0.949 4.763) 9.061 2.657 ( 1.862 -2.735 0.660) 3.374 2.751 ( 0.124 1.929 -0.766) 2.079 2.948 ( 1.121 2.347 -0.701) 2.694 2.976 ( -0.476 0.355 3.846) 3.892 3.018 ( 0.590 -0.483 3.645) 3.724 3.164 ( -0.359 -2.401 -3.159) 3.985 3.253 ( -0.103 0.027 1.801) 1.804 3.350 ( -1.755 -1.218 -1.930) 2.879 3.418 ( 3.431 -2.933 0.467) 4.538 3.602 ( 0.826 1.509 1.245) 2.124 3.651 ( -0.360 -2.553 -2.175) 3.373 3.707 ( 3.670 -5.627 1.538) 6.891 3.924 ( -0.224 0.608 2.638) 2.716 3.998 ( 1.056 -5.269 -4.464) 6.986 4.029 ( 1.749 -8.437 -1.448) 8.737 4.075 ( 0.305 -5.991 -3.961) 7.188 4.199 ( 3.618 -4.113 -6.106) 8.203 4.281 ( 4.579 -2.262 -2.454) 5.666 4.320 ( 3.953 -3.005 -1.696) 5.247 4.369 ( 1.388 -5.601 -2.841) 6.432 4.435 ( -0.681 4.231 1.680) 4.603 4.558 ( -4.739 1.372 -3.751) 6.198 4.598 ( 1.885 -2.440 1.364) 3.372 4.670 ( 0.195 -6.602 3.360) 7.410 4.831 ( 2.141 -1.676 0.657) 2.797 4.863 ( -0.152 2.089 -4.051) 4.560 4.899 ( -5.591 8.104 -0.602) 9.864 4.997 ( 1.316 -2.357 0.156) 2.704 5.083 ( 0.160 0.411 0.199) 0.484 5.138 ( -2.222 3.451 2.064) 4.594 5.241 ( 0.492 0.963 5.524) 5.628 5.317 ( -2.013 -1.983 -7.588) 8.097 5.414 ( -4.282 -0.963 -0.128) 4.391 5.460 ( -0.223 -0.068 -0.198) 0.306 5.486 ( 1.850 -4.189 -2.306) 5.127 5.556 ( -1.335 0.393 3.826) 4.072 5.586 ( 2.857 -3.250 3.322) 5.455 5.612 ( 1.772 4.369 1.272) 4.884 5.693 ( -2.200 1.652 -1.401) 3.087 5.798 ( 2.809 0.329 -0.780) 2.934 5.868 ( 0.941 -2.615 -1.818) 3.321 5.876 ( 0.488 2.142 -3.442) 4.083 6.041 ( -4.288 3.645 4.328) 7.099 6.121 ( 1.153 0.935 -3.577) 3.873 6.290 ( 2.472 -0.623 0.380) 2.578 6.386 ( 0.054 3.103 1.974) 3.679 6.515 ( -1.635 2.400 6.724) 7.325 6.657 ( -2.843 6.816 5.566) 9.248 6.668 ( -1.269 0.209 -2.634) 2.931 6.780 ( -0.432 -6.916 -4.861) 8.464 6.955 ( 1.664 3.100 -3.661) 5.078 7.040 ( 1.797 -3.433 0.841) 3.965 7.162 ( -1.574 2.749 -1.084) 3.348 7.368 ( -1.413 -1.999 -1.806) 3.042 7.482 ( -6.916 -0.354 2.598) 7.397 7.519 ( 0.863 -1.072 -0.408) 1.435 7.688 ( 2.244 2.037 3.691) 4.776 7.726 ( -2.000 0.495 1.574) 2.592 7.787 ( -2.368 1.028 1.710) 3.097 7.861 ( -2.832 -2.920 -2.010) 4.537 7.939 ( -0.035 -2.407 2.665) 3.591 7.981 ( -0.445 -7.216 1.450) 7.374 8.099 ( 2.449 3.389 0.013) 4.181 8.114 ( -1.632 -0.604 -1.235) 2.133 8.258 ( 1.685 1.160 -0.804) 2.198 8.309 ( -4.584 4.220 0.749) 6.276 8.444 ( -1.753 -3.224 -1.132) 3.840 8.524 ( -0.087 0.854 -1.915) 2.099 8.650 ( -1.386 2.540 0.713) 2.980 8.695 ( 2.477 -2.252 1.325) 3.600 8.773 ( 4.162 5.654 -5.165) 8.716 8.974 ( -2.515 2.851 3.319) 5.047 9.133 ( 0.714 1.455 -1.698) 2.348 9.183 ( 0.760 5.204 -0.036) 5.260 9.427 ( -3.222 -3.134 -4.831) 6.599 9.639 ( 3.230 3.192 6.010) 7.533 9.787 ( 1.053 -2.944 -1.234) 3.362 9.932 ( 0.390 0.716 -3.478) 3.573 9.986 ( -1.406 -0.740 1.449) 2.151 10.009 ( -1.472 0.005 -0.198) 1.486 10.096 ( -1.486 0.535 2.173) 2.686 10.269 ( -1.872 0.771 0.665) 2.131 10.369 ( -1.776 -5.085 -1.510) 5.594 10.428 ( 2.129 -0.882 3.683) 4.344 10.499 ( -2.365 3.374 -0.220) 4.127 10.667 ( 0.902 -3.487 -3.808) 5.241 10.694 ( 0.802 0.427 1.295) 1.582 10.745 ( -2.192 0.783 2.609) 3.496 10.888 ( 2.056 2.446 -2.325) 3.952 10.943 ( -1.864 -3.439 2.835) 4.831 11.103 ( 1.022 0.432 0.560) 1.243 11.178 ( -3.759 2.856 -0.185) 4.725 11.300 ( -0.591 -1.085 1.554) 1.985 11.363 ( 3.112 -1.389 -3.971) 5.233 11.460 ( -2.229 -0.312 -2.621) 3.455 11.578 ( 0.876 -3.182 -2.142) 3.934 11.596 ( 2.124 0.681 -3.764) 4.375 11.655 ( 2.116 -2.079 0.859) 3.088 11.812 ( 1.364 4.030 0.119) 4.256 11.849 ( 1.899 0.263 -0.894) 2.115 12.100 ( 0.076 2.161 2.527) 3.326 12.641 ( -3.214 -0.406 8.261) 8.873 12.935 ( 0.430 -1.577 1.078) 1.958 13.263 ( 1.371 2.262 -2.153) 3.411 13.482 ( -0.069 1.249 0.390) 1.310 14.425 ( 1.776 0.401 -0.379) 1.860 14.944 ( 3.706 -3.806 0.692) 5.357 15.164 ( -0.840 5.788 2.373) 6.312 15.398 ( 2.161 -2.016 -7.291) 7.867 15.749 ( -4.888 1.787 4.084) 6.615 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 11.442 -3.313 1.396) 11.993 1.460 ( -3.540 7.003 -2.193) 8.147 1.622 ( -7.951 8.562 0.724) 11.707 1.659 ( -0.613 -5.007 4.482) 6.748 1.996 ( 3.342 -7.242 -0.976) 8.036 2.076 ( 1.313 3.262 -0.830) 3.613 2.134 ( -1.396 5.375 0.210) 5.558 2.242 ( -1.722 -6.855 -1.085) 7.151 2.348 ( -2.932 -1.120 8.610) 9.164 2.564 ( 5.321 1.317 1.303) 5.634 2.698 ( 0.204 0.189 -1.481) 1.507 2.705 ( -6.082 -1.869 1.627) 6.567 2.901 ( -1.928 2.957 -0.720) 3.603 2.951 ( -2.062 3.112 2.924) 4.742 3.068 ( 1.755 -0.699 -0.059) 1.890 3.166 ( -2.388 -0.044 0.917) 2.558 3.247 ( -0.248 -1.059 -0.874) 1.395 3.347 ( 5.319 1.052 -3.432) 6.417 3.458 ( 0.540 2.519 -0.169) 2.581 3.602 ( 1.571 0.831 2.523) 3.086 3.656 ( -0.170 -0.864 -0.988) 1.324 3.802 ( -3.420 1.271 2.128) 4.224 3.904 ( 3.387 0.813 -1.067) 3.643 4.022 ( -1.352 -1.198 4.045) 4.430 4.098 ( -0.806 -1.981 -3.763) 4.329 4.175 ( 3.449 0.791 -6.198) 7.137 4.249 ( 0.082 -10.153 -9.296) 13.766 4.333 ( 1.811 -3.415 1.674) 4.212 4.356 ( 0.824 2.160 -2.703) 3.557 4.411 ( 0.590 0.672 3.113) 3.239 4.448 ( 3.493 -2.464 0.644) 4.323 4.502 ( -3.561 -1.072 -1.315) 3.944 4.645 ( -0.393 3.238 3.518) 4.797 4.725 ( -2.241 3.196 -2.026) 4.398 4.783 ( 1.908 0.145 -1.634) 2.516 4.815 ( -0.127 -4.544 2.949) 5.419 4.926 ( 2.042 -5.313 0.107) 5.693 4.960 ( 0.166 6.156 0.021) 6.158 5.055 ( -1.097 3.586 -2.975) 4.787 5.075 ( -1.704 -1.016 -1.132) 2.284 5.237 ( -2.755 0.841 2.399) 3.749 5.312 ( 0.072 -1.874 -2.815) 3.383 5.402 ( 2.428 3.404 -2.675) 4.964 5.422 ( 0.112 -1.401 -1.079) 1.772 5.525 ( 0.647 3.604 -0.704) 3.729 5.581 ( 3.400 0.050 3.305) 4.742 5.613 ( 1.041 -0.109 -0.548) 1.181 5.639 ( 2.213 -0.676 2.947) 3.747 5.687 ( 1.332 -2.511 1.117) 3.054 5.821 ( -2.597 0.903 -0.731) 2.845 5.841 ( -0.504 -1.944 0.397) 2.047 5.950 ( -0.815 3.343 1.462) 3.738 6.015 ( 2.890 -8.279 3.588) 9.474 6.123 ( 1.142 -3.575 -4.712) 6.024 6.265 ( -0.959 2.052 -3.050) 3.799 6.355 ( 1.059 2.647 -1.590) 3.264 6.464 ( -2.468 6.078 6.447) 9.197 6.562 ( -5.227 4.120 5.179) 8.433 6.662 ( 0.758 -1.462 -2.225) 2.768 6.866 ( 1.400 -5.612 -3.764) 6.902 6.927 ( 4.465 1.502 -1.571) 4.966 7.109 ( -1.684 -2.048 3.593) 4.465 7.126 ( -0.717 -0.117 1.970) 2.100 7.346 ( 0.213 1.441 -3.814) 4.083 7.485 ( 0.273 -1.694 0.069) 1.717 7.541 ( 0.497 -0.628 0.736) 1.088 7.637 ( -3.878 2.215 3.248) 5.522 7.748 ( 0.440 -0.357 2.040) 2.117 7.782 ( 0.396 -0.942 1.290) 1.645 7.858 ( -3.002 -1.009 -3.034) 4.386 7.929 ( -1.536 2.905 1.911) 3.801 8.057 ( 3.462 1.378 2.448) 4.458 8.090 ( -0.807 0.763 -0.423) 1.188 8.155 ( -1.586 -3.294 0.790) 3.741 8.210 ( -3.511 0.033 -1.042) 3.663 8.275 ( 1.964 -2.089 -0.922) 3.012 8.438 ( 0.053 6.650 -5.463) 8.606 8.470 ( -1.217 -4.828 -2.528) 5.584 8.567 ( -3.302 1.371 -4.223) 5.533 8.741 ( 3.906 3.217 1.825) 5.379 8.802 ( 4.943 -3.126 2.429) 6.333 8.926 ( 0.807 3.064 2.562) 4.075 9.121 ( -0.516 0.500 -1.135) 1.343 9.157 ( 2.307 -0.717 0.523) 2.471 9.422 ( -4.342 -3.493 -4.161) 6.955 9.663 ( 2.870 2.095 3.971) 5.328 9.802 ( 0.462 -0.334 -2.039) 2.117 9.907 ( -0.573 1.627 -1.241) 2.125 9.976 ( -1.950 -1.327 1.859) 3.003 10.022 ( -0.356 -1.254 -1.278) 1.826 10.099 ( -0.955 0.028 2.135) 2.339 10.247 ( -1.670 -0.100 0.826) 1.866 10.401 ( -1.477 1.326 -0.429) 2.031 10.436 ( 1.344 0.438 -0.418) 1.474 10.512 ( -0.334 -5.004 4.465) 6.715 10.679 ( 2.401 2.173 1.295) 3.487 10.717 ( 2.029 -0.234 -0.588) 2.126 10.749 ( 0.349 -1.034 0.822) 1.366 10.845 ( -0.697 1.387 -3.299) 3.646 10.977 ( -3.042 -1.151 2.377) 4.029 11.106 ( 0.799 0.819 -2.720) 2.951 11.109 ( -2.788 0.918 1.839) 3.464 11.318 ( -0.584 -0.543 1.421) 1.630 11.368 ( -0.097 -0.660 -4.913) 4.958 11.435 ( -1.013 -0.715 -1.499) 1.946 11.580 ( 0.846 0.153 -2.986) 3.108 11.606 ( -1.172 -1.582 -1.523) 2.489 11.709 ( 3.934 -0.742 -1.581) 4.304 11.752 ( 0.655 2.972 -0.407) 3.070 11.865 ( 0.286 -0.873 -0.061) 0.921 12.079 ( -0.810 1.597 1.533) 2.357 12.681 ( -2.690 -0.602 10.454) 10.811 12.944 ( 0.305 1.238 0.536) 1.383 13.256 ( 2.939 -0.528 -1.680) 3.426 13.476 ( -0.340 -0.352 0.751) 0.896 14.421 ( -0.882 0.001 -0.840) 1.218 15.006 ( 0.215 0.044 0.449) 0.500 15.093 ( 0.259 2.307 0.813) 2.460 15.423 ( 4.469 -2.303 -5.227) 7.252 15.714 ( -3.113 1.270 3.245) 4.673 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 4.006 -2.659 3.959) 6.228 1.246 ( -11.761 10.245 -9.782) 18.411 1.395 ( -10.866 6.888 10.155) 16.391 1.753 ( 0.453 -5.429 0.125) 5.449 2.034 ( -1.606 0.867 -3.437) 3.892 2.052 ( 1.807 1.387 0.586) 2.352 2.164 ( 2.218 -4.872 1.827) 5.656 2.259 ( -4.311 8.201 0.656) 9.288 2.382 ( -4.458 -2.929 7.779) 9.432 2.541 ( -4.856 3.474 4.561) 7.513 2.577 ( -7.525 2.321 -0.134) 7.876 2.794 ( -5.886 1.618 -2.502) 6.597 2.797 ( 1.056 -6.032 0.702) 6.164 2.929 ( 0.808 2.022 2.394) 3.236 3.034 ( -1.333 1.679 -2.832) 3.552 3.176 ( 0.942 -0.927 -0.744) 1.517 3.264 ( -0.831 -2.984 -1.395) 3.397 3.342 ( 2.147 3.782 -2.902) 5.228 3.436 ( 6.826 2.532 2.654) 7.749 3.563 ( -0.082 3.784 -1.044) 3.926 3.677 ( 0.093 2.446 2.753) 3.684 3.743 ( -1.354 1.142 3.404) 3.837 3.872 ( -2.511 3.073 -5.852) 7.071 4.040 ( -1.550 1.315 5.493) 5.857 4.079 ( 1.557 4.551 0.070) 4.811 4.107 ( -3.160 -0.364 -9.890) 10.389 4.254 ( -0.754 4.017 -4.193) 5.855 4.326 ( 1.320 1.188 0.025) 1.777 4.360 ( -0.726 5.332 0.028) 5.381 4.400 ( 2.741 3.567 -0.855) 4.579 4.458 ( -2.045 -5.513 -2.450) 6.370 4.530 ( -1.999 4.089 0.378) 4.567 4.559 ( 0.342 -1.330 2.972) 3.274 4.735 ( -3.328 -2.581 -0.974) 4.323 4.779 ( 4.401 0.022 -4.675) 6.421 4.841 ( -1.145 2.976 1.991) 3.759 4.959 ( 0.814 -2.698 1.232) 3.076 4.990 ( 1.092 0.017 -1.300) 1.698 5.019 ( 4.692 -1.622 -1.109) 5.087 5.120 ( 0.238 -4.527 2.224) 5.050 5.221 ( -0.888 1.011 1.648) 2.127 5.300 ( 1.223 0.743 -1.971) 2.435 5.380 ( -2.058 0.421 -0.681) 2.209 5.392 ( 3.285 4.579 -1.401) 5.807 5.530 ( 5.291 -1.056 0.029) 5.395 5.586 ( 0.117 1.482 0.853) 1.714 5.632 ( 4.560 -1.497 -2.294) 5.319 5.681 ( -0.482 2.448 -1.265) 2.797 5.745 ( -2.527 -1.459 4.292) 5.190 5.773 ( 0.402 -3.284 -1.182) 3.513 5.854 ( 0.500 2.069 2.016) 2.932 5.950 ( -0.513 -2.872 1.510) 3.285 6.140 ( 0.680 0.327 -2.818) 2.917 6.158 ( 0.150 0.939 4.886) 4.977 6.198 ( -1.795 0.269 -5.222) 5.528 6.354 ( 1.075 -2.626 0.859) 2.965 6.421 ( -0.932 -1.873 1.391) 2.512 6.502 ( -5.462 0.186 6.038) 8.144 6.696 ( 3.257 -1.596 -2.879) 4.631 6.895 ( 3.130 0.441 -2.631) 4.112 6.977 ( 1.934 -3.728 -0.667) 4.252 7.112 ( -2.940 1.447 6.655) 7.419 7.189 ( 2.662 -3.963 1.243) 4.933 7.298 ( 2.441 2.736 -4.895) 6.115 7.482 ( 0.799 1.671 -1.889) 2.646 7.562 ( 0.180 -0.810 -0.155) 0.844 7.648 ( -1.884 -2.980 1.490) 3.828 7.713 ( -0.723 2.888 0.605) 3.038 7.820 ( -2.901 1.612 -0.938) 3.449 7.831 ( -1.203 -0.068 0.167) 1.216 7.901 ( 3.522 -0.181 3.769) 5.162 8.015 ( -3.851 5.068 -0.946) 6.435 8.069 ( 5.366 3.112 1.750) 6.446 8.111 ( -1.033 0.569 0.799) 1.424 8.279 ( -2.254 0.244 -1.665) 2.813 8.328 ( 1.792 -2.851 -3.000) 4.509 8.339 ( 3.577 -2.938 0.036) 4.629 8.536 ( 0.383 -0.575 -0.418) 0.808 8.544 ( -1.524 -7.053 -3.139) 7.869 8.691 ( -1.886 3.789 0.408) 4.252 8.909 ( 6.229 -0.877 3.295) 7.101 8.932 ( 3.609 1.713 2.070) 4.499 9.115 ( -0.068 -1.633 -1.641) 2.316 9.209 ( 2.260 -2.837 -0.665) 3.688 9.402 ( -6.319 -2.921 -3.768) 7.916 9.654 ( 1.201 2.820 0.347) 3.085 9.780 ( -1.258 2.650 -0.075) 2.934 9.886 ( 0.159 -0.756 -0.646) 1.007 9.997 ( -0.376 -0.778 0.063) 0.866 10.035 ( 0.098 -2.157 1.174) 2.457 10.091 ( -1.952 0.509 0.692) 2.133 10.263 ( -1.442 -2.579 1.040) 3.132 10.347 ( 0.476 3.064 -0.258) 3.111 10.463 ( 2.894 0.474 1.354) 3.230 10.609 ( -2.395 -3.833 4.828) 6.614 10.674 ( 2.834 2.039 0.138) 3.494 10.721 ( -2.397 1.394 -0.405) 2.802 10.739 ( 4.525 1.684 -2.240) 5.323 10.839 ( 0.652 -2.444 -0.639) 2.609 10.949 ( -2.657 3.023 2.132) 4.554 11.080 ( 0.624 -0.281 -3.636) 3.700 11.101 ( -2.058 0.120 1.408) 2.496 11.326 ( -2.735 -0.442 0.176) 2.776 11.332 ( -1.274 -1.197 -3.104) 3.562 11.454 ( 2.222 -1.205 -0.215) 2.537 11.555 ( 0.076 1.738 -3.273) 3.707 11.594 ( -2.859 -0.729 -0.137) 2.954 11.695 ( 4.480 2.138 -5.612) 7.492 11.770 ( -0.433 -1.936 2.158) 2.931 11.873 ( -1.619 -1.004 -0.650) 2.013 12.062 ( -1.534 0.291 1.857) 2.426 12.744 ( -3.598 -2.284 11.471) 12.237 12.913 ( 0.697 3.253 -0.333) 3.344 13.305 ( 4.100 -2.514 -1.023) 4.917 13.496 ( -0.196 -1.910 0.327) 1.948 14.402 ( -3.492 -0.866 -0.915) 3.712 14.956 ( -2.538 3.692 0.911) 4.572 15.113 ( 0.733 -2.748 -0.377) 2.869 15.468 ( 6.749 -0.597 -5.793) 8.914 15.700 ( -1.199 0.644 4.724) 4.917 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -4.381 12.178 7.260) 14.839 0.852 ( -17.138 14.902 -4.855) 23.224 1.349 ( -14.066 2.374 14.370) 20.249 1.815 ( -0.723 1.754 0.120) 1.900 1.943 ( -3.190 8.805 -1.962) 9.569 2.019 ( -3.941 -0.687 -1.757) 4.369 2.031 ( -1.692 1.030 -0.987) 2.213 2.251 ( -0.349 -1.133 0.304) 1.223 2.366 ( -6.232 3.527 8.368) 11.014 2.466 ( -6.581 1.056 -1.501) 6.832 2.616 ( -1.756 -7.152 6.129) 9.581 2.737 ( -6.024 -1.445 -0.964) 6.270 2.852 ( 1.111 1.226 -1.085) 1.978 2.944 ( -0.267 -3.757 0.996) 3.896 3.033 ( 1.337 -1.498 1.070) 2.276 3.184 ( 2.121 -0.914 -3.289) 4.019 3.272 ( 1.785 3.206 -3.290) 4.928 3.313 ( -0.039 -3.867 -0.349) 3.882 3.480 ( 5.194 3.143 3.864) 7.196 3.502 ( 2.071 3.047 -2.989) 4.744 3.611 ( 0.036 7.096 0.915) 7.155 3.696 ( -2.839 4.094 -2.914) 5.771 3.794 ( -2.635 -0.932 -0.621) 2.863 3.948 ( -4.113 6.257 -1.185) 7.581 3.977 ( -2.560 7.796 -1.812) 8.403 4.052 ( 0.593 3.534 0.882) 3.691 4.156 ( -5.002 3.023 -1.970) 6.168 4.199 ( 2.457 5.559 -4.339) 7.467 4.347 ( 5.140 0.904 0.005) 5.219 4.433 ( 2.306 -0.407 -3.021) 3.822 4.457 ( 0.361 3.572 -0.458) 3.619 4.499 ( -2.003 -2.819 -2.644) 4.353 4.549 ( -0.620 1.251 1.536) 2.076 4.714 ( -2.065 -0.941 -6.564) 6.945 4.780 ( -1.248 0.217 0.194) 1.282 4.836 ( 1.126 2.009 4.472) 5.030 4.953 ( -2.790 1.161 -3.327) 4.495 4.998 ( 4.032 2.083 2.745) 5.304 5.109 ( 2.482 -5.888 0.498) 6.409 5.175 ( 1.123 3.616 -0.946) 3.903 5.209 ( 0.096 0.727 0.056) 0.735 5.258 ( -4.992 -2.334 -0.813) 5.570 5.347 ( 4.065 2.801 -2.756) 5.654 5.392 ( 5.616 0.815 1.225) 5.806 5.574 ( 0.317 -0.075 1.782) 1.812 5.595 ( -1.471 2.045 -1.773) 3.081 5.647 ( 4.163 -2.932 1.064) 5.202 5.683 ( 4.480 -1.712 -5.167) 7.050 5.744 ( -3.030 0.266 0.728) 3.128 5.807 ( -1.361 0.512 -0.093) 1.457 5.843 ( 1.483 0.780 4.197) 4.519 6.012 ( -1.195 -2.211 1.130) 2.756 6.075 ( -5.840 1.347 7.735) 9.786 6.148 ( 3.157 1.479 -0.292) 3.499 6.216 ( 0.332 -5.003 -4.982) 7.068 6.318 ( -1.312 3.710 -0.652) 3.989 6.550 ( -2.491 -7.344 4.787) 9.113 6.577 ( 1.753 -8.658 1.915) 9.039 6.715 ( 4.502 0.870 -2.664) 5.303 6.914 ( -0.280 -1.787 0.745) 1.957 7.037 ( 0.554 -3.187 -1.736) 3.671 7.108 ( 0.630 3.460 0.468) 3.548 7.217 ( 4.064 6.476 1.864) 7.869 7.278 ( 1.795 -2.787 -1.176) 3.517 7.448 ( 1.473 1.491 -3.649) 4.208 7.570 ( 0.439 0.291 -2.748) 2.798 7.634 ( -1.689 0.283 -3.615) 4.001 7.702 ( -1.532 -1.378 1.097) 2.334 7.738 ( -0.093 3.747 -0.716) 3.816 7.795 ( -3.297 3.545 -0.335) 4.852 7.957 ( 3.017 0.054 3.601) 4.698 7.999 ( 2.061 -3.353 3.886) 5.531 8.076 ( -0.517 1.934 0.552) 2.077 8.128 ( 5.520 -1.739 -0.204) 5.791 8.216 ( 3.887 3.953 0.664) 5.584 8.417 ( 1.345 -3.375 1.216) 3.831 8.436 ( 3.753 -3.086 1.700) 5.148 8.552 ( 0.314 -0.682 1.386) 1.576 8.591 ( -4.030 -1.960 -1.711) 4.797 8.652 ( -2.409 -4.070 -0.383) 4.744 8.933 ( 2.113 1.594 -1.547) 3.066 8.968 ( 7.798 3.859 5.774) 10.442 9.151 ( 0.334 -2.536 -0.809) 2.683 9.273 ( 1.867 -3.816 -2.595) 4.979 9.350 ( -8.399 -1.709 -3.624) 9.305 9.618 ( -0.729 1.588 0.778) 1.913 9.712 ( -2.013 3.159 -0.113) 3.747 9.892 ( 0.449 0.626 -0.605) 0.979 10.021 ( 1.822 -2.676 -1.329) 3.500 10.056 ( -2.955 0.014 -0.376) 2.979 10.112 ( -0.310 -4.048 3.585) 5.416 10.272 ( 1.234 2.660 -1.648) 3.363 10.336 ( -1.384 -2.575 1.079) 3.116 10.479 ( 2.090 2.017 2.266) 3.684 10.610 ( -1.990 2.965 -4.240) 5.543 10.627 ( -1.568 1.227 3.370) 3.914 10.726 ( 1.955 -0.010 2.130) 2.891 10.763 ( 2.454 -0.889 -0.642) 2.687 10.870 ( -2.043 0.234 -1.713) 2.676 10.894 ( 3.444 2.371 2.482) 4.863 11.040 ( -2.346 2.592 -0.714) 3.568 11.115 ( 1.407 -1.563 -0.231) 2.116 11.291 ( -2.998 0.118 -1.079) 3.189 11.359 ( -0.062 -2.804 0.208) 2.813 11.500 ( 0.924 0.392 -0.625) 1.183 11.503 ( 2.659 -0.201 -2.979) 3.998 11.585 ( -3.025 -1.110 0.271) 3.234 11.665 ( 3.467 1.324 -6.435) 7.429 11.806 ( -0.793 -1.321 2.570) 2.997 11.860 ( -3.215 -0.746 -0.942) 3.432 12.071 ( -2.302 -1.560 3.318) 4.329 12.825 ( -5.252 -3.980 9.259) 11.365 12.856 ( -0.234 3.678 0.366) 3.704 13.381 ( 4.303 -2.808 -1.382) 5.321 13.529 ( 0.900 -1.780 -1.268) 2.363 14.380 ( -6.842 -2.750 -1.002) 7.441 14.873 ( -3.993 3.691 0.368) 5.450 15.176 ( 1.056 -3.861 -0.196) 4.007 15.470 ( 5.642 2.026 -6.901) 9.142 15.746 ( 3.891 -0.303 7.997) 8.899 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -15.630 8.854 10.769) 20.945 0.563 ( -7.849 13.691 18.075) 23.995 1.071 ( -17.744 24.967 31.575) 43.990 1.794 ( 1.127 -4.099 -6.460) 7.734 1.894 ( 0.259 -0.218 -10.411) 10.417 1.958 ( -6.100 1.206 0.777) 6.266 2.055 ( -2.438 -4.669 -0.526) 5.294 2.214 ( -0.714 3.182 2.964) 4.407 2.301 ( -4.903 4.337 3.954) 7.648 2.418 ( -0.589 0.019 -1.784) 1.879 2.711 ( -3.682 -0.849 1.311) 4.000 2.745 ( -2.750 -6.414 4.491) 8.299 2.834 ( -0.512 0.923 -0.038) 1.056 2.959 ( -2.765 1.333 -1.849) 3.584 3.067 ( -0.171 -0.561 2.911) 2.970 3.234 ( 5.157 -3.243 -2.209) 6.480 3.260 ( 2.780 -1.093 -2.881) 4.150 3.365 ( 2.643 -0.646 1.242) 2.991 3.416 ( -1.819 6.718 0.413) 6.972 3.479 ( 2.861 -1.544 -3.891) 5.070 3.538 ( 0.228 1.702 -1.740) 2.445 3.627 ( 1.797 2.928 0.934) 3.561 3.765 ( -2.963 4.036 -3.118) 5.898 3.814 ( 1.050 4.158 0.410) 4.308 3.843 ( -4.488 4.495 1.881) 6.625 3.970 ( 1.833 4.210 -5.078) 6.846 4.117 ( -1.428 1.604 -2.697) 3.447 4.134 ( -3.232 -3.310 -0.600) 4.665 4.340 ( -0.455 5.720 -0.841) 5.800 4.380 ( 0.698 2.375 -4.401) 5.050 4.438 ( 2.033 0.019 -11.407) 11.587 4.486 ( 0.055 0.329 -0.023) 0.334 4.559 ( -1.664 0.243 4.817) 5.102 4.654 ( 2.000 1.431 -7.312) 7.714 4.762 ( -2.604 -0.250 -1.473) 3.002 4.789 ( -1.056 2.754 -4.995) 5.801 4.931 ( -0.543 0.583 5.978) 6.031 4.956 ( -1.309 6.575 0.819) 6.753 5.087 ( 1.233 0.165 -2.929) 3.182 5.187 ( 1.318 0.135 -2.233) 2.597 5.256 ( 2.161 -4.104 1.663) 4.927 5.314 ( 4.574 -2.080 2.960) 5.832 5.348 ( 1.799 -2.575 -1.454) 3.462 5.423 ( 2.352 -0.018 1.950) 3.055 5.511 ( -3.370 2.432 0.100) 4.157 5.623 ( 1.314 -0.592 1.544) 2.112 5.669 ( -0.134 2.226 2.298) 3.202 5.700 ( -0.717 1.158 0.433) 1.429 5.711 ( -3.394 -1.395 -1.346) 3.909 5.827 ( 0.333 -2.586 0.184) 2.614 5.889 ( 2.537 -2.980 2.096) 4.440 6.019 ( 0.743 1.947 2.415) 3.190 6.057 ( -3.228 4.403 2.449) 5.984 6.147 ( 0.492 1.155 -0.371) 1.309 6.247 ( -0.798 1.021 1.435) 1.933 6.292 ( 0.473 -4.603 -6.411) 7.906 6.642 ( -2.008 -3.669 3.346) 5.356 6.728 ( 4.746 0.230 -1.776) 5.073 6.743 ( -0.136 -5.785 -1.226) 5.915 6.956 ( -3.966 -5.368 4.122) 7.844 6.962 ( -0.521 5.762 -9.138) 10.815 7.085 ( 1.938 -1.042 1.298) 2.555 7.206 ( 3.134 5.285 6.783) 9.152 7.334 ( 1.331 1.788 0.579) 2.303 7.348 ( -0.647 3.266 -9.947) 10.490 7.525 ( 0.248 0.829 -3.194) 3.309 7.612 ( -1.437 1.354 -1.193) 2.307 7.695 ( -1.672 2.223 -0.438) 2.816 7.701 ( 1.313 1.327 0.994) 2.114 7.738 ( -0.055 -0.807 1.646) 1.834 7.999 ( 0.221 0.625 -2.969) 3.042 8.064 ( 0.487 -1.914 1.311) 2.371 8.099 ( 3.313 -1.537 3.676) 5.182 8.169 ( 0.287 -0.691 1.536) 1.709 8.267 ( 4.720 -1.348 0.757) 4.967 8.456 ( 1.575 1.645 -1.120) 2.538 8.480 ( 1.495 -1.967 1.621) 2.955 8.534 ( -8.296 -1.543 -5.999) 10.353 8.618 ( 1.669 -1.522 6.825) 7.189 8.757 ( 5.169 -4.820 2.181) 7.397 8.893 ( 1.192 2.568 -3.964) 4.871 9.099 ( 17.978 -1.598 16.205) 24.256 9.137 ( -7.507 -2.118 -4.641) 9.077 9.294 ( 0.237 0.635 2.119) 2.225 9.319 ( 0.677 -1.808 -3.854) 4.310 9.634 ( -1.790 -3.145 4.350) 5.659 9.663 ( -1.319 0.621 2.852) 3.203 9.880 ( 0.599 0.788 -0.324) 1.042 10.023 ( -1.990 -0.180 -2.756) 3.404 10.089 ( 3.178 -3.168 0.155) 4.490 10.202 ( 0.054 0.419 2.117) 2.159 10.215 ( 1.027 -2.107 0.297) 2.363 10.378 ( -0.779 -2.507 0.205) 2.633 10.450 ( -4.120 0.030 -0.861) 4.209 10.551 ( -0.043 1.709 0.863) 1.915 10.613 ( 0.321 1.491 0.837) 1.739 10.717 ( 0.260 3.660 1.851) 4.110 10.797 ( 1.911 -0.615 -0.167) 2.014 10.834 ( 1.506 1.779 -1.495) 2.769 10.925 ( 2.382 -0.441 0.733) 2.531 10.967 ( -4.604 1.911 0.946) 5.074 11.167 ( 6.721 -0.066 1.625) 6.915 11.253 ( -1.474 1.867 -0.144) 2.383 11.416 ( 1.585 -3.361 -0.498) 3.749 11.466 ( -0.317 0.162 -2.025) 2.056 11.553 ( 3.578 -0.825 -1.838) 4.107 11.578 ( -3.531 -1.771 0.369) 3.967 11.640 ( 3.450 0.473 -6.486) 7.362 11.815 ( -1.516 0.283 -0.132) 1.548 11.850 ( -2.127 -1.099 2.991) 3.831 12.111 ( -3.622 -3.509 5.388) 7.380 12.792 ( 0.828 3.247 -0.931) 3.478 12.867 ( -15.405 -4.244 0.481) 15.986 13.431 ( 1.905 -1.189 -3.266) 3.963 13.525 ( 1.213 2.642 -3.979) 4.928 14.340 ( -11.376 -2.633 -2.152) 11.874 14.784 ( -3.427 2.594 -0.575) 4.336 15.170 ( 1.144 6.323 -5.298) 8.328 15.473 ( 1.550 -2.857 -1.216) 3.470 15.912 ( 10.523 -6.584 11.208) 16.724 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 10.131 -0.000 21.404) 23.681 1.000 ( 13.902 -0.000 21.970) 25.999 1.598 ( 12.970 -0.000 14.900) 19.754 1.626 ( 2.948 -0.000 -14.611) 14.906 1.764 ( 14.032 -0.000 1.459) 14.108 1.911 ( -2.233 0.000 3.088) 3.811 2.061 ( 0.647 -0.000 -0.306) 0.716 2.156 ( -3.546 0.000 0.006) 3.546 2.306 ( 5.280 -0.000 1.310) 5.440 2.427 ( 2.674 -0.000 -2.295) 3.524 2.753 ( 3.079 -0.000 0.719) 3.161 2.846 ( -5.741 0.000 7.543) 9.479 2.870 ( 5.899 -0.000 -1.878) 6.191 2.881 ( -0.757 0.000 -0.325) 0.824 3.123 ( -2.295 0.000 2.527) 3.413 3.251 ( -3.657 0.000 -1.026) 3.798 3.254 ( -0.396 0.000 1.313) 1.372 3.309 ( 5.027 -0.000 -15.627) 16.416 3.390 ( -1.748 0.000 1.746) 2.470 3.509 ( 0.908 -0.000 -0.469) 1.021 3.619 ( -0.057 0.000 2.970) 2.971 3.656 ( 6.212 -0.000 0.557) 6.237 3.763 ( 2.276 -0.000 -0.905) 2.449 3.767 ( 3.031 -0.000 -0.888) 3.158 3.789 ( 4.381 -0.000 -6.889) 8.164 3.870 ( 2.152 -0.000 -2.360) 3.194 4.068 ( 3.086 -0.000 -3.043) 4.335 4.179 ( 6.178 -0.000 0.309) 6.186 4.184 ( -2.114 0.000 -1.185) 2.423 4.232 ( -2.492 0.000 -4.234) 4.913 4.278 ( 1.536 -0.000 -1.886) 2.432 4.418 ( -4.530 0.000 -0.550) 4.564 4.605 ( 6.188 -0.000 -9.501) 11.339 4.680 ( 1.481 -0.000 3.545) 3.841 4.726 ( 1.577 -0.000 -0.909) 1.820 4.759 ( 5.042 -0.000 -4.262) 6.602 4.905 ( 5.047 -0.000 -2.738) 5.742 5.080 ( -4.748 0.000 -4.077) 6.258 5.085 ( 0.148 -0.000 1.854) 1.860 5.160 ( 0.284 -0.000 6.657) 6.663 5.269 ( -1.623 0.000 -3.084) 3.485 5.340 ( -2.172 0.000 -2.682) 3.451 5.417 ( -4.651 0.000 3.708) 5.948 5.523 ( -1.497 0.000 9.042) 9.165 5.558 ( -1.949 0.000 -4.674) 5.064 5.611 ( 1.359 -0.000 4.363) 4.570 5.660 ( 0.420 -0.000 2.277) 2.315 5.686 ( -2.901 0.000 0.536) 2.950 5.712 ( -1.665 0.000 0.845) 1.867 5.749 ( 1.977 -0.000 -0.215) 1.989 5.768 ( -1.081 0.000 -4.297) 4.431 6.052 ( 0.703 -0.000 -3.491) 3.561 6.111 ( 0.724 -0.000 6.867) 6.906 6.131 ( 4.236 -0.000 -4.798) 6.401 6.190 ( -3.474 0.000 0.033) 3.475 6.256 ( -3.274 0.000 2.308) 4.006 6.576 ( -5.272 0.000 -0.879) 5.345 6.641 ( -3.661 0.000 1.826) 4.091 6.679 ( -2.317 0.000 2.385) 3.325 6.922 ( 1.678 -0.000 -1.165) 2.043 7.018 ( -0.831 0.000 -1.854) 2.032 7.095 ( 0.306 -0.000 2.864) 2.880 7.170 ( -5.932 0.000 3.915) 7.107 7.331 ( 2.323 -0.000 0.370) 2.352 7.457 ( -2.448 0.000 4.631) 5.238 7.484 ( -1.152 0.000 -5.732) 5.847 7.584 ( -0.218 0.000 0.788) 0.818 7.688 ( 2.602 -0.000 0.793) 2.720 7.776 ( -8.231 0.000 4.503) 9.382 7.828 ( 3.276 -0.000 3.658) 4.910 7.854 ( -0.032 0.000 9.694) 9.694 7.933 ( -1.864 0.000 -4.243) 4.634 8.167 ( -2.024 0.000 0.244) 2.039 8.178 ( -3.215 0.000 -6.258) 7.035 8.261 ( -4.260 0.000 -0.569) 4.298 8.322 ( 3.319 -0.000 5.070) 6.060 8.436 ( -0.170 0.000 -2.000) 2.007 8.507 ( -4.307 0.000 3.751) 5.711 8.743 ( -3.703 0.000 -3.184) 4.884 8.770 ( 2.662 -0.000 0.367) 2.687 8.910 ( 2.492 -0.000 -0.898) 2.649 8.957 ( -4.212 0.000 2.147) 4.728 9.280 ( 2.530 -0.000 -6.008) 6.519 9.333 ( -1.022 0.000 2.335) 2.549 9.483 ( 1.017 -0.000 -2.897) 3.071 9.626 ( 0.077 -0.000 -0.915) 0.918 9.828 ( -5.162 0.000 2.842) 5.892 9.879 ( -0.245 0.000 1.254) 1.278 10.012 ( 1.365 -0.000 -1.368) 1.933 10.138 ( 0.684 -0.000 -4.571) 4.621 10.145 ( -4.916 0.000 -4.320) 6.545 10.258 ( 3.203 -0.000 1.477) 3.527 10.371 ( -4.874 0.000 -0.331) 4.885 10.490 ( -1.874 0.000 0.334) 1.903 10.547 ( -1.961 0.000 1.832) 2.683 10.587 ( -0.046 0.000 -1.236) 1.237 10.609 ( -7.986 0.000 -2.007) 8.235 10.814 ( -0.917 0.000 2.552) 2.712 10.866 ( 2.565 -0.000 -0.269) 2.579 11.034 ( 10.496 -0.000 -0.301) 10.500 11.053 ( 3.445 -0.000 1.105) 3.618 11.086 ( -10.340 0.000 0.223) 10.343 11.208 ( -0.960 0.000 -0.206) 0.982 11.430 ( -3.840 0.000 -0.484) 3.870 11.468 ( 0.829 -0.000 -1.524) 1.735 11.522 ( 2.070 -0.000 -3.874) 4.392 11.579 ( -2.253 0.000 -3.707) 4.338 11.602 ( 2.865 -0.000 -0.471) 2.903 11.808 ( 2.842 -0.000 0.194) 2.848 11.936 ( 4.663 -0.000 1.784) 4.993 12.204 ( -3.318 0.000 6.014) 6.869 12.523 ( 7.097 -0.000 5.503) 8.981 12.771 ( 0.938 -0.000 -0.851) 1.267 13.412 ( -0.162 0.000 -0.266) 0.312 13.489 ( 0.544 -0.000 0.973) 1.115 14.464 ( 13.216 -0.000 -3.079) 13.570 14.776 ( 3.732 -0.000 0.362) 3.750 15.078 ( 1.355 -0.000 -0.260) 1.380 15.500 ( 0.665 -0.000 -0.646) 0.927 15.925 ( -14.958 0.000 6.062) 16.139 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 11.001 10.346 15.992) 21.995 1.273 ( 12.773 -2.905 17.247) 21.658 1.582 ( 5.289 -3.972 -10.577) 12.475 1.693 ( 9.323 -3.145 -15.951) 18.741 1.925 ( -2.665 -0.328 3.930) 4.760 1.984 ( 5.383 3.992 4.788) 8.236 2.108 ( 12.905 -3.369 14.853) 19.963 2.169 ( -3.229 -3.541 0.525) 4.821 2.406 ( 6.813 -4.802 1.298) 8.436 2.450 ( 3.338 -1.216 -1.588) 3.891 2.706 ( -2.267 6.909 3.102) 7.905 2.828 ( 1.704 2.388 -0.763) 3.031 2.903 ( -0.015 -3.822 4.682) 6.044 2.922 ( 2.583 -1.352 -0.233) 2.924 3.091 ( -4.458 1.801 1.733) 5.111 3.176 ( 1.145 5.410 -3.371) 6.476 3.231 ( 1.114 1.376 -3.179) 3.639 3.306 ( -0.015 -4.605 -5.704) 7.331 3.385 ( -1.679 0.006 -0.611) 1.787 3.528 ( 4.130 -2.259 1.951) 5.096 3.625 ( 2.598 5.084 -5.198) 7.721 3.676 ( 1.492 0.346 1.967) 2.493 3.769 ( 3.002 -6.005 -5.365) 8.595 3.798 ( 3.023 -3.739 -1.679) 5.093 3.911 ( 2.715 -3.271 -1.815) 4.622 3.950 ( 4.699 -8.228 0.027) 9.476 4.038 ( 2.035 2.910 2.440) 4.309 4.207 ( 1.183 -2.078 -0.745) 2.505 4.243 ( 2.752 -2.265 -1.019) 3.707 4.251 ( 4.311 -2.829 -2.993) 5.962 4.320 ( -0.567 -6.964 -2.744) 7.507 4.426 ( -3.148 -5.122 0.636) 6.045 4.610 ( 5.794 -0.290 -6.764) 8.911 4.691 ( 2.867 2.336 -1.075) 3.852 4.753 ( 2.915 -0.687 -3.522) 4.623 4.785 ( 2.895 -2.021 2.448) 4.296 4.948 ( -1.777 -4.327 -0.552) 4.710 5.017 ( -3.462 -0.136 -3.934) 5.242 5.076 ( -2.217 0.998 0.245) 2.444 5.172 ( -1.303 2.873 2.719) 4.165 5.251 ( -4.606 0.713 -4.549) 6.513 5.282 ( 2.006 -2.852 1.521) 3.804 5.382 ( -1.932 3.461 2.857) 4.886 5.481 ( -0.102 3.418 -0.080) 3.421 5.544 ( -3.438 2.648 5.197) 6.771 5.585 ( -2.473 2.981 2.998) 4.898 5.594 ( -1.810 1.344 -0.502) 2.310 5.642 ( -2.720 1.776 -3.661) 4.895 5.735 ( -1.917 -1.820 -0.715) 2.739 5.776 ( 5.271 -0.998 3.552) 6.433 5.957 ( 0.371 -9.595 0.748) 9.632 5.976 ( -2.294 6.431 -4.126) 7.978 6.044 ( -1.953 3.873 0.494) 4.365 6.147 ( 5.144 -0.990 0.211) 5.243 6.250 ( -1.417 -3.162 4.034) 5.317 6.305 ( 1.759 -6.459 -0.176) 6.697 6.549 ( -5.136 -1.834 -0.669) 5.495 6.594 ( -2.938 2.316 1.499) 4.030 6.688 ( -2.466 -1.062 2.365) 3.578 6.889 ( -0.923 3.958 -0.855) 4.153 6.990 ( -0.934 1.467 -0.480) 1.804 7.074 ( 0.322 2.643 -0.636) 2.738 7.189 ( -6.041 -4.892 5.349) 9.436 7.276 ( 2.435 5.358 -3.879) 7.049 7.434 ( -6.343 -1.263 -1.759) 6.702 7.513 ( -2.162 -4.382 0.243) 4.893 7.608 ( -1.295 -2.874 1.488) 3.486 7.725 ( 2.611 -0.679 0.281) 2.712 7.768 ( -1.159 -0.510 3.033) 3.286 7.844 ( 0.761 2.969 2.952) 4.255 7.867 ( -2.496 0.511 -2.058) 3.275 7.933 ( -1.176 -0.529 9.460) 9.548 8.111 ( -0.198 -0.664 -4.727) 4.777 8.172 ( -0.575 -0.746 -3.029) 3.172 8.254 ( -2.946 -3.133 0.343) 4.314 8.368 ( 1.937 0.870 4.618) 5.083 8.412 ( -2.571 1.432 -0.358) 2.964 8.485 ( -3.224 0.098 3.341) 4.644 8.666 ( -4.335 1.952 -1.234) 4.912 8.761 ( 0.070 1.891 -3.307) 3.810 8.890 ( 0.625 2.381 -1.237) 2.755 8.993 ( -0.035 -2.703 2.532) 3.704 9.234 ( 1.998 3.543 -4.407) 5.997 9.328 ( -1.874 1.213 1.708) 2.810 9.442 ( 0.693 3.266 -4.378) 5.506 9.650 ( 0.637 -3.506 -1.055) 3.717 9.774 ( -4.540 2.707 4.874) 7.190 9.896 ( -1.180 -1.429 0.599) 1.948 9.995 ( -1.677 1.011 -1.867) 2.705 10.085 ( 3.269 3.742 -4.329) 6.590 10.122 ( -4.894 -4.707 -2.998) 7.422 10.230 ( -3.874 6.701 0.999) 7.805 10.308 ( 0.347 -0.952 1.481) 1.795 10.473 ( -0.320 1.351 1.199) 1.834 10.529 ( -5.810 -1.207 0.324) 5.943 10.567 ( 0.827 -0.642 -0.809) 1.323 10.618 ( -0.745 -3.340 -0.274) 3.433 10.809 ( -0.103 1.812 2.893) 3.415 10.848 ( -1.012 0.249 1.042) 1.473 11.021 ( 1.206 3.284 0.457) 3.528 11.089 ( -1.398 -3.100 -1.196) 3.605 11.165 ( 2.837 -4.480 -1.025) 5.401 11.218 ( -0.095 -2.429 -1.264) 2.740 11.342 ( -3.387 3.577 -0.943) 5.016 11.490 ( -2.918 -1.633 -0.965) 3.480 11.506 ( 3.568 0.086 -3.981) 5.346 11.565 ( 0.802 -1.365 -2.660) 3.095 11.631 ( 2.839 -0.254 -0.241) 2.860 11.836 ( 2.942 0.278 0.756) 3.050 11.968 ( 5.847 3.040 -0.030) 6.590 12.186 ( -2.138 2.568 4.810) 5.857 12.622 ( 3.632 -0.255 5.627) 6.702 12.819 ( 1.093 -4.621 0.486) 4.773 13.374 ( -0.022 3.677 -0.100) 3.678 13.511 ( 0.672 -0.473 0.181) 0.841 14.512 ( 9.312 4.163 -2.060) 10.407 14.842 ( 6.474 -2.004 1.050) 6.858 15.148 ( 1.075 -5.939 -0.898) 6.101 15.464 ( 0.494 4.608 -1.353) 4.828 15.811 ( -12.597 1.937 5.052) 13.710 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 12.693 18.569 3.326) 22.737 1.523 ( 12.462 -3.236 9.965) 16.281 1.677 ( 4.024 1.029 -12.000) 12.699 1.706 ( 2.542 -5.808 2.649) 6.871 1.882 ( 1.169 5.314 3.512) 6.476 2.019 ( 2.562 -1.200 -2.000) 3.464 2.186 ( -0.717 -4.335 4.498) 6.288 2.291 ( 2.579 0.219 1.407) 2.946 2.420 ( 0.670 9.474 0.432) 9.507 2.526 ( 2.380 -2.663 4.431) 5.691 2.667 ( 3.491 0.226 -0.271) 3.509 2.796 ( 1.001 2.869 0.381) 3.062 2.940 ( -2.210 -0.330 -0.513) 2.293 3.017 ( 4.171 -2.771 1.760) 5.307 3.043 ( -1.654 1.937 3.709) 4.499 3.131 ( 2.370 0.373 -1.559) 2.861 3.231 ( -3.237 -2.623 5.706) 7.066 3.322 ( 0.652 -1.297 1.285) 1.939 3.390 ( 1.992 -2.802 -8.152) 8.848 3.569 ( 2.946 -1.633 -6.825) 7.611 3.643 ( 3.445 -2.748 2.651) 5.143 3.689 ( 0.926 -0.248 2.160) 2.363 3.854 ( 2.655 -7.166 -6.032) 9.736 3.904 ( 3.850 -6.685 -4.804) 9.087 3.965 ( 2.826 -1.668 2.458) 4.100 4.012 ( -1.752 1.031 0.789) 2.181 4.132 ( 5.595 -6.166 -0.596) 8.348 4.260 ( -0.022 -2.188 -3.080) 3.778 4.288 ( 4.122 -4.862 -0.369) 6.385 4.336 ( 6.236 -1.496 0.210) 6.417 4.408 ( -1.454 -6.061 -1.924) 6.523 4.501 ( -1.224 -4.729 0.981) 4.983 4.595 ( 2.427 3.233 -4.021) 5.702 4.677 ( 4.955 0.934 0.933) 5.128 4.794 ( 1.506 -3.989 -3.545) 5.545 4.837 ( -0.329 -0.677 -0.652) 0.996 4.936 ( -5.611 3.016 -0.719) 6.411 4.997 ( -3.463 0.271 2.422) 4.234 5.061 ( 0.578 -5.163 2.328) 5.693 5.171 ( -2.874 0.071 -2.173) 3.604 5.206 ( -0.685 -5.475 -3.226) 6.392 5.304 ( -0.220 5.772 2.427) 6.265 5.380 ( 0.829 2.015 -0.485) 2.233 5.430 ( -0.628 -2.930 2.527) 3.920 5.436 ( -4.869 3.612 -9.836) 11.554 5.554 ( -2.580 -0.315 3.375) 4.260 5.571 ( -0.796 -1.312 0.914) 1.786 5.614 ( -3.760 -0.267 4.341) 5.749 5.768 ( -0.112 -2.624 3.517) 4.389 5.802 ( -0.328 3.574 2.621) 4.444 5.871 ( 1.910 4.139 -2.768) 5.333 5.920 ( 0.712 4.374 -3.197) 5.464 6.078 ( 0.222 -0.624 2.823) 2.900 6.160 ( 1.892 3.504 -0.424) 4.005 6.320 ( 1.663 -1.898 1.148) 2.772 6.419 ( 0.784 -2.579 2.379) 3.595 6.526 ( -0.879 -1.200 -1.502) 2.114 6.592 ( -1.217 -4.641 -2.350) 5.342 6.689 ( -2.777 -0.154 3.606) 4.554 6.778 ( -3.452 7.380 2.052) 8.402 6.979 ( 0.475 -1.157 1.108) 1.671 7.034 ( 1.713 1.924 -2.155) 3.358 7.190 ( 0.656 2.854 -4.082) 5.024 7.276 ( -5.650 -7.188 3.046) 9.636 7.368 ( -5.648 0.488 -1.576) 5.884 7.545 ( -1.238 -1.267 0.853) 1.966 7.670 ( -1.891 -4.801 1.115) 5.279 7.739 ( 0.572 0.579 1.554) 1.754 7.766 ( -0.171 -1.825 -3.830) 4.246 7.828 ( -2.829 1.289 3.144) 4.421 7.884 ( 0.839 -2.603 0.748) 2.835 7.957 ( -1.061 0.473 5.254) 5.381 8.098 ( 0.030 0.358 -2.016) 2.048 8.156 ( 2.267 1.137 -2.752) 3.742 8.275 ( -0.299 0.615 -0.692) 0.973 8.336 ( -4.897 2.360 1.216) 5.570 8.399 ( 0.473 -0.634 2.103) 2.247 8.500 ( -2.009 -1.383 2.345) 3.384 8.627 ( -4.507 -1.145 0.715) 4.705 8.669 ( -4.032 1.664 -6.884) 8.149 8.871 ( 4.218 2.556 2.807) 5.675 9.012 ( 0.082 1.655 -0.429) 1.711 9.171 ( 0.590 3.166 -1.621) 3.605 9.279 ( -0.555 4.537 1.251) 4.739 9.367 ( 0.823 2.016 -5.160) 5.600 9.724 ( 0.922 -5.074 -0.656) 5.199 9.739 ( -0.861 2.312 4.750) 5.353 9.911 ( -0.716 -1.886 -1.987) 2.831 9.941 ( -1.497 0.441 -3.269) 3.622 10.038 ( -1.166 3.100 0.914) 3.436 10.121 ( -0.268 1.473 1.112) 1.865 10.197 ( -2.583 -5.526 -0.662) 6.135 10.301 ( -3.193 0.061 0.495) 3.232 10.452 ( -1.409 0.882 1.191) 2.045 10.523 ( -3.354 -0.765 1.458) 3.736 10.605 ( 4.240 -2.297 -0.106) 4.823 10.665 ( 0.241 -2.865 0.077) 2.876 10.794 ( 0.889 2.452 1.884) 3.217 10.869 ( -3.211 -3.677 1.534) 5.117 10.969 ( 1.988 4.692 -0.882) 5.172 11.110 ( 0.429 -1.449 -2.354) 2.797 11.179 ( -3.100 2.214 0.300) 3.822 11.250 ( -1.739 -3.441 -2.409) 4.546 11.297 ( -1.740 -1.675 -0.537) 2.474 11.465 ( 0.755 1.233 -0.715) 1.613 11.534 ( 0.753 -2.613 -4.041) 4.871 11.583 ( 2.251 -0.708 -1.969) 3.073 11.658 ( 2.623 -0.541 -0.041) 2.678 11.857 ( 2.154 0.701 1.133) 2.533 11.940 ( 4.988 5.798 -1.244) 7.748 12.153 ( -1.607 2.706 3.141) 4.447 12.676 ( 1.213 0.124 5.894) 6.019 12.906 ( -0.148 -3.773 2.529) 4.545 13.312 ( 0.632 3.862 -0.583) 3.956 13.509 ( 0.513 1.282 0.038) 1.381 14.497 ( 5.985 4.502 -1.116) 7.572 14.943 ( 5.793 -2.244 1.320) 6.352 15.225 ( -0.728 -1.640 2.003) 2.689 15.360 ( 0.049 3.976 -5.601) 6.869 15.735 ( -7.386 -0.023 3.422) 8.141 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 13.570 12.655 0.567) 18.564 1.569 ( 1.324 7.838 -5.246) 9.524 1.687 ( 7.728 0.942 4.915) 9.207 1.712 ( -2.844 6.587 3.098) 7.815 1.931 ( 7.786 -4.154 -1.047) 8.886 2.079 ( -0.629 -7.485 -0.683) 7.543 2.195 ( -3.112 5.169 3.584) 7.018 2.235 ( 0.398 9.124 -0.987) 9.186 2.350 ( 0.787 -2.273 4.873) 5.435 2.585 ( -4.581 -3.547 1.028) 5.885 2.671 ( 4.454 4.025 1.087) 6.101 2.739 ( -2.898 2.980 0.688) 4.213 2.900 ( -4.516 1.630 -0.693) 4.851 3.008 ( -1.133 2.580 1.027) 2.999 3.084 ( 3.683 0.312 1.678) 4.059 3.149 ( 0.362 -0.650 -0.383) 0.837 3.228 ( -4.019 0.925 3.430) 5.364 3.389 ( 5.768 -1.285 -6.985) 9.149 3.448 ( 3.298 -4.210 1.569) 5.573 3.605 ( 0.027 -4.051 -2.816) 4.934 3.652 ( -0.424 2.173 2.821) 3.586 3.780 ( 1.891 -4.404 0.348) 4.805 3.926 ( 0.467 0.411 0.137) 0.637 3.963 ( -2.237 -4.425 -3.823) 6.261 4.004 ( 0.829 -4.652 -5.317) 7.114 4.080 ( 4.929 -5.480 0.884) 7.423 4.231 ( 4.094 0.691 -2.354) 4.773 4.282 ( 1.971 -4.392 0.519) 4.842 4.381 ( -2.315 -1.502 -2.800) 3.932 4.410 ( 5.476 -2.745 -1.581) 6.327 4.449 ( 4.866 -0.049 1.355) 5.051 4.501 ( 0.721 2.479 2.944) 3.916 4.624 ( 1.102 -5.101 -1.830) 5.531 4.757 ( 3.283 -1.784 3.448) 5.085 4.799 ( -3.750 0.513 -0.828) 3.875 4.828 ( -2.585 4.353 3.377) 6.086 4.853 ( 1.981 -3.802 -2.775) 5.107 5.014 ( 0.709 -2.710 -0.779) 2.908 5.037 ( -5.367 5.816 -3.174) 8.527 5.135 ( 5.255 5.612 -1.386) 7.812 5.197 ( -7.178 0.030 -1.682) 7.373 5.286 ( -0.867 -0.665 -0.543) 1.220 5.355 ( 0.420 -7.523 3.217) 8.193 5.385 ( -1.388 -2.273 -6.705) 7.214 5.522 ( -2.836 0.808 -3.279) 4.410 5.542 ( -0.767 -4.630 2.206) 5.186 5.616 ( -0.405 -5.440 1.765) 5.733 5.647 ( -0.484 -1.648 6.491) 6.714 5.708 ( -0.770 5.680 -0.861) 5.796 5.798 ( -2.448 -0.518 -0.523) 2.556 5.861 ( -0.348 3.884 -1.925) 4.348 5.927 ( 5.183 -8.383 3.859) 10.584 6.061 ( 2.123 6.282 5.470) 8.596 6.108 ( 2.141 2.901 -2.847) 4.594 6.305 ( -1.157 3.528 -1.328) 3.943 6.405 ( 1.427 3.740 -2.789) 4.879 6.568 ( 0.733 -0.423 3.902) 3.993 6.589 ( -1.560 2.649 -4.237) 5.235 6.659 ( -3.368 3.277 2.670) 5.405 6.742 ( -0.711 -5.411 1.733) 5.727 6.993 ( 4.049 1.881 -1.375) 4.672 7.064 ( -2.405 -3.677 3.116) 5.387 7.133 ( -0.745 1.302 0.224) 1.516 7.336 ( 0.390 -0.352 -1.702) 1.782 7.368 ( -4.626 -9.667 -0.673) 10.738 7.543 ( 0.367 1.073 -0.454) 1.222 7.714 ( -2.472 -1.118 3.544) 4.464 7.755 ( -0.897 4.569 2.921) 5.496 7.772 ( -1.041 -2.886 -4.230) 5.226 7.786 ( 1.020 -0.638 1.424) 1.864 7.940 ( -0.464 -2.385 3.086) 3.928 8.002 ( -0.026 -4.937 -0.753) 4.994 8.093 ( -0.748 -1.445 1.070) 1.948 8.144 ( 2.250 1.500 -2.671) 3.801 8.220 ( -3.362 3.281 0.545) 4.730 8.281 ( 0.805 2.084 -0.784) 2.368 8.403 ( -0.858 -0.123 -1.753) 1.956 8.466 ( -4.444 4.707 -6.467) 9.150 8.533 ( -4.313 -1.118 2.514) 5.115 8.710 ( -0.594 -5.924 -0.102) 5.955 8.898 ( 5.601 3.962 0.981) 6.930 8.973 ( -0.665 0.376 2.703) 2.809 9.122 ( -1.598 1.582 -1.623) 2.772 9.217 ( 2.771 4.039 0.059) 4.899 9.336 ( -0.434 -0.187 -2.571) 2.613 9.738 ( 2.600 1.711 0.402) 3.138 9.791 ( 1.066 -2.017 -0.239) 2.294 9.899 ( -0.582 -0.656 -0.795) 1.183 9.954 ( -2.231 -1.845 -0.285) 2.909 9.978 ( -2.406 0.496 0.545) 2.516 10.120 ( 0.748 0.960 2.053) 2.387 10.242 ( -1.587 -0.089 1.129) 1.950 10.318 ( -2.538 -7.275 -0.441) 7.718 10.432 ( -1.675 0.982 0.072) 1.943 10.515 ( -0.073 0.157 1.968) 1.976 10.678 ( -1.068 -2.781 1.409) 3.296 10.729 ( 4.497 -3.329 0.697) 5.638 10.773 ( 1.235 2.545 1.415) 3.163 10.880 ( 1.488 3.145 -3.810) 5.160 10.930 ( -2.883 -1.755 3.261) 4.693 11.087 ( -2.669 1.735 -3.281) 4.571 11.125 ( -0.862 0.743 0.213) 1.158 11.266 ( -2.594 -2.987 -2.964) 4.943 11.310 ( -2.946 -1.416 2.210) 3.946 11.460 ( 3.546 1.422 -0.418) 3.843 11.541 ( -1.053 -1.820 -4.028) 4.544 11.597 ( 2.724 0.314 -1.964) 3.373 11.698 ( 1.910 -1.939 -0.275) 2.736 11.848 ( 2.516 5.299 0.082) 5.866 11.881 ( 1.919 2.556 -1.124) 3.388 12.113 ( -1.433 2.441 1.769) 3.338 12.717 ( -0.701 -0.023 6.762) 6.798 12.954 ( -1.030 -1.037 2.462) 2.863 13.271 ( 1.661 1.355 -1.478) 2.604 13.490 ( 0.247 1.415 0.343) 1.477 14.466 ( 3.780 4.213 -0.758) 5.711 15.010 ( 2.347 -0.558 0.528) 2.470 15.163 ( -2.135 5.928 1.003) 6.380 15.363 ( 2.822 -4.996 -4.774) 7.464 15.708 ( -4.167 -0.288 2.574) 4.907 ======================= Grid point 83 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 8.191 2.123 -6.050) 10.402 1.365 ( -2.875 15.029 0.171) 15.302 1.556 ( -5.415 11.981 9.035) 15.953 1.741 ( 5.634 0.099 0.564) 5.663 2.007 ( 3.704 0.272 -7.891) 8.722 2.118 ( 1.909 4.796 0.793) 5.223 2.163 ( 0.884 -0.665 5.023) 5.143 2.217 ( 1.400 -7.965 -1.377) 8.203 2.398 ( -3.663 0.056 8.086) 8.877 2.563 ( -8.211 1.314 -0.798) 8.354 2.583 ( -7.054 5.724 4.437) 10.110 2.758 ( 3.748 -1.556 2.772) 4.915 2.773 ( -5.910 4.660 -1.601) 7.694 2.978 ( -0.547 0.110 0.351) 0.659 3.043 ( -0.786 5.188 -2.907) 5.999 3.163 ( 0.136 -0.801 1.196) 1.446 3.210 ( -1.617 -0.356 -0.645) 1.777 3.438 ( 5.141 3.989 -0.254) 6.512 3.476 ( 4.219 -2.305 -4.322) 6.464 3.615 ( -0.471 2.160 1.952) 2.949 3.683 ( -2.045 -4.695 2.130) 5.546 3.786 ( 0.488 3.381 0.142) 3.419 3.887 ( -2.132 4.925 -3.780) 6.564 3.993 ( -0.153 -5.363 -4.223) 6.828 4.054 ( 0.416 -1.484 1.392) 2.077 4.160 ( 0.797 2.795 -0.005) 2.906 4.228 ( 2.825 -4.816 -4.532) 7.191 4.305 ( -0.057 3.716 -1.913) 4.180 4.395 ( 2.086 -1.742 1.524) 3.116 4.462 ( -0.716 1.313 0.054) 1.496 4.482 ( 4.252 2.155 -1.087) 4.890 4.541 ( 2.668 -3.228 2.814) 5.045 4.646 ( 0.244 8.136 -1.530) 8.282 4.665 ( -1.359 1.749 1.164) 2.502 4.768 ( -0.609 -0.836 -3.110) 3.277 4.861 ( -2.660 1.153 2.468) 3.807 4.938 ( 0.206 -2.635 -0.527) 2.695 4.961 ( 0.553 -4.738 3.309) 5.806 5.050 ( 3.603 2.205 -4.660) 6.290 5.069 ( 0.303 -4.097 1.304) 4.310 5.220 ( -0.247 -0.810 2.939) 3.059 5.291 ( 0.968 -1.201 -1.955) 2.490 5.347 ( -2.023 -0.578 -5.673) 6.050 5.461 ( 2.872 -2.689 -0.956) 4.049 5.479 ( 1.036 -0.804 -2.767) 3.062 5.595 ( -1.788 -2.385 1.080) 3.171 5.641 ( -2.603 -0.339 -2.658) 3.736 5.683 ( 0.279 -0.802 0.006) 0.850 5.723 ( -0.197 -3.426 3.071) 4.605 5.749 ( -2.591 3.548 1.534) 4.653 5.864 ( -1.250 -4.849 2.996) 5.836 5.993 ( 2.926 6.934 0.817) 7.570 6.082 ( 3.172 -0.853 -4.042) 5.209 6.151 ( 1.688 -6.514 4.533) 8.114 6.226 ( 0.291 2.885 -0.286) 2.914 6.324 ( 0.625 2.524 -4.927) 5.571 6.472 ( -3.202 5.122 0.799) 6.093 6.544 ( -3.638 5.173 7.278) 9.642 6.667 ( 1.413 -2.485 -0.717) 2.947 6.832 ( 0.639 -6.477 -4.092) 7.688 6.986 ( 3.009 2.333 -2.080) 4.339 7.095 ( -5.165 -2.390 5.513) 7.923 7.162 ( 1.262 -3.361 0.997) 3.726 7.347 ( 2.839 0.601 1.211) 3.144 7.488 ( 0.686 -7.016 -1.293) 7.167 7.507 ( -1.793 1.834 -2.052) 3.285 7.661 ( -0.611 2.599 4.157) 4.941 7.742 ( 0.676 3.458 -4.010) 5.338 7.795 ( 0.428 -1.262 0.090) 1.335 7.808 ( -2.886 -2.062 4.034) 5.372 7.960 ( 1.815 1.174 1.757) 2.786 8.041 ( -3.999 3.981 -3.716) 6.756 8.111 ( -0.110 -2.622 0.080) 2.626 8.125 ( 0.075 -1.496 -1.386) 2.040 8.197 ( 3.114 -2.355 4.144) 5.693 8.304 ( 1.170 -2.711 0.892) 3.085 8.334 ( -1.491 1.874 -4.769) 5.337 8.409 ( -2.819 -4.480 -1.204) 5.428 8.539 ( -0.281 0.125 1.579) 1.608 8.740 ( 0.277 2.712 -2.789) 3.900 8.895 ( 0.458 -2.806 -0.312) 2.860 9.022 ( 3.049 -0.932 3.575) 4.790 9.084 ( -0.976 -0.174 -1.245) 1.592 9.205 ( 2.450 0.381 -1.248) 2.775 9.315 ( -2.282 0.468 -0.197) 2.338 9.706 ( 1.949 3.267 -4.185) 5.655 9.816 ( 0.601 0.989 1.223) 1.684 9.885 ( -1.199 0.995 1.704) 2.309 9.964 ( -1.386 -2.895 2.244) 3.916 10.003 ( 0.069 -2.377 -1.490) 2.806 10.112 ( -0.494 1.809 1.731) 2.552 10.233 ( -1.368 -0.314 1.539) 2.083 10.383 ( -0.651 1.248 0.292) 1.438 10.445 ( 0.051 -6.942 0.035) 6.943 10.539 ( -0.441 -1.438 1.061) 1.841 10.696 ( -2.346 -1.013 0.155) 2.560 10.744 ( 0.303 3.389 1.022) 3.552 10.799 ( 0.184 1.322 -2.666) 2.982 10.839 ( 8.102 0.214 -0.281) 8.110 10.967 ( -2.184 -1.863 4.468) 5.311 11.035 ( -1.192 -0.472 -1.382) 1.885 11.094 ( -3.229 0.902 -1.477) 3.664 11.266 ( -2.281 -1.540 -0.869) 2.886 11.316 ( -2.396 -0.474 2.557) 3.536 11.474 ( 4.100 0.640 -0.896) 4.245 11.533 ( -0.871 -1.247 -2.982) 3.348 11.586 ( 1.313 1.726 -2.420) 3.250 11.744 ( 0.686 -2.388 0.085) 2.486 11.767 ( 2.831 5.694 -2.272) 6.752 11.863 ( -0.340 0.948 -0.162) 1.020 12.077 ( -1.366 1.656 1.345) 2.533 12.747 ( -3.780 -0.663 7.541) 8.461 12.955 ( -0.371 1.363 0.895) 1.672 13.284 ( 2.351 -2.206 -2.616) 4.152 13.480 ( -0.153 0.038 0.487) 0.512 14.421 ( 1.656 4.036 -0.197) 4.366 14.998 ( -1.307 3.098 0.046) 3.363 15.095 ( -0.306 0.588 -0.369) 0.759 15.446 ( 4.395 -4.113 -4.645) 7.603 15.704 ( -2.506 -0.938 3.582) 4.471 ======================= Grid point 84 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -4.100 2.852 -19.157) 19.797 1.111 ( 1.068 18.239 9.722) 20.696 1.422 ( -5.936 6.115 17.519) 19.482 1.807 ( 3.374 -2.513 1.164) 4.365 1.962 ( 1.401 0.948 -5.649) 5.896 2.053 ( -0.216 4.605 -3.557) 5.822 2.190 ( -2.777 14.502 1.460) 14.838 2.249 ( 1.475 -1.203 1.647) 2.517 2.393 ( -4.201 1.874 -0.185) 4.604 2.422 ( -6.166 2.167 7.042) 9.607 2.507 ( -8.258 -5.022 4.428) 10.631 2.700 ( -0.381 0.347 1.294) 1.393 2.866 ( 2.728 -3.512 2.278) 4.997 2.931 ( -1.250 4.358 -0.944) 4.631 3.010 ( 0.797 -3.260 -0.839) 3.460 3.168 ( 0.293 -0.434 -1.427) 1.520 3.223 ( -0.027 -3.160 -0.954) 3.301 3.355 ( 1.500 6.579 -0.914) 6.810 3.541 ( 2.515 -0.556 -2.257) 3.425 3.581 ( 0.752 3.445 1.843) 3.979 3.677 ( -5.038 4.671 -5.817) 9.002 3.733 ( -2.481 -2.428 -0.778) 3.558 3.800 ( 4.913 6.766 5.525) 10.022 3.979 ( 0.467 1.912 -6.046) 6.358 4.066 ( -2.264 5.324 1.430) 5.959 4.080 ( -0.030 2.512 1.846) 3.117 4.234 ( 3.116 6.104 -5.276) 8.649 4.282 ( -1.984 2.621 -3.887) 5.091 4.371 ( 2.014 1.591 -2.096) 3.314 4.395 ( 0.676 2.732 -4.840) 5.599 4.450 ( 1.203 -0.001 1.800) 2.165 4.562 ( 2.141 3.400 1.679) 4.355 4.583 ( -2.027 1.758 -0.518) 2.733 4.668 ( 1.207 -0.094 1.127) 1.654 4.758 ( -1.164 -1.638 -0.697) 2.127 4.886 ( 1.486 -2.808 4.108) 5.192 4.917 ( -2.465 3.257 -3.046) 5.095 5.057 ( 2.304 -3.865 -2.634) 5.214 5.067 ( 4.591 -1.152 1.607) 4.998 5.146 ( -3.390 -3.954 0.949) 5.294 5.195 ( -1.688 3.045 -1.909) 3.971 5.289 ( 0.424 3.954 2.387) 4.637 5.351 ( 2.792 -3.530 -0.654) 4.548 5.489 ( 4.988 1.576 0.021) 5.231 5.535 ( -0.676 -3.605 -5.771) 6.837 5.587 ( -2.340 -0.728 0.748) 2.563 5.625 ( 1.987 -1.777 -2.040) 3.357 5.682 ( 1.016 -0.634 0.515) 1.304 5.744 ( -2.661 -1.736 -1.213) 3.401 5.776 ( -0.404 0.620 0.615) 0.962 5.894 ( -0.845 0.431 2.627) 2.793 5.950 ( -0.595 -0.470 0.421) 0.867 6.076 ( 0.801 -2.477 -7.087) 7.550 6.112 ( -3.539 3.717 2.132) 5.557 6.248 ( 3.102 1.885 1.204) 3.825 6.366 ( -0.508 1.838 -0.140) 1.912 6.432 ( -3.187 -6.899 5.842) 9.586 6.520 ( -0.466 -1.364 6.240) 6.405 6.711 ( 1.689 -2.204 -2.158) 3.516 6.905 ( 2.155 -4.546 -4.494) 6.746 6.958 ( 0.264 0.512 -2.960) 3.016 7.117 ( -3.024 -0.070 2.391) 3.856 7.232 ( 0.284 -3.949 -0.502) 3.991 7.378 ( 4.147 2.263 6.287) 7.864 7.468 ( 0.760 0.552 -0.531) 1.079 7.555 ( 0.386 -0.985 -3.949) 4.089 7.645 ( 2.350 5.395 -2.476) 6.384 7.659 ( -3.738 -1.857 1.437) 4.414 7.787 ( -0.861 2.119 0.573) 2.358 7.819 ( -0.899 1.809 2.172) 2.966 7.927 ( -2.992 -0.613 0.766) 3.149 8.009 ( 2.714 -0.054 0.755) 2.818 8.087 ( -1.157 1.735 -0.698) 2.199 8.161 ( 3.162 -1.209 -1.734) 3.804 8.278 ( -0.227 0.345 -0.114) 0.429 8.345 ( 1.525 -6.627 1.026) 6.877 8.399 ( 2.113 -4.898 2.731) 5.993 8.481 ( -0.589 -3.994 -0.518) 4.070 8.557 ( 0.424 -3.668 1.981) 4.191 8.648 ( -1.267 5.075 -1.704) 5.502 8.922 ( -0.138 -1.408 -4.040) 4.280 9.085 ( -2.435 -4.059 -1.375) 4.930 9.111 ( 3.541 -0.537 3.644) 5.109 9.223 ( 1.590 -1.990 -3.235) 4.118 9.294 ( 0.456 1.001 4.348) 4.485 9.633 ( -0.540 2.891 -4.342) 5.245 9.764 ( -1.088 4.481 0.855) 4.690 9.907 ( 0.869 -0.460 2.116) 2.333 9.994 ( 1.042 -1.039 -1.546) 2.134 10.046 ( -1.793 -2.602 2.702) 4.158 10.086 ( -0.491 0.980 1.827) 2.131 10.252 ( -0.955 -2.292 0.822) 2.615 10.353 ( 0.088 2.212 0.151) 2.219 10.515 ( -0.742 1.666 -1.617) 2.437 10.563 ( -2.268 -4.898 0.460) 5.417 10.658 ( 0.849 2.267 -2.212) 3.279 10.729 ( 0.738 -0.078 2.402) 2.514 10.785 ( 0.178 -0.951 -2.200) 2.404 10.865 ( 2.309 2.564 0.149) 3.454 10.987 ( 3.516 2.158 2.386) 4.766 11.018 ( -6.740 1.279 -1.141) 6.954 11.106 ( 3.621 -4.605 3.081) 6.619 11.265 ( -1.593 -0.296 1.009) 1.909 11.319 ( -1.476 -0.861 1.137) 2.052 11.494 ( 0.849 -1.222 -1.820) 2.351 11.525 ( 1.457 1.614 -1.477) 2.628 11.556 ( 1.145 0.087 -1.801) 2.135 11.698 ( 2.224 3.740 -3.855) 5.813 11.787 ( 0.050 -2.369 0.854) 2.519 11.841 ( -0.644 1.081 -0.234) 1.280 12.060 ( -1.550 0.028 2.096) 2.607 12.765 ( -7.588 -1.997 7.220) 10.663 12.919 ( 0.479 3.343 -0.540) 3.420 13.336 ( 1.929 -4.041 -4.426) 6.296 13.492 ( -0.386 -1.589 -0.086) 1.637 14.369 ( 0.061 3.509 0.710) 3.581 14.913 ( -2.236 4.771 -0.518) 5.294 15.125 ( 0.511 -3.588 0.756) 3.702 15.484 ( 4.137 -0.166 -7.105) 8.223 15.753 ( -1.140 -3.827 5.562) 6.847 ======================= Grid point 85 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -4.875 3.302 -0.617) 5.920 0.907 ( 1.778 17.815 14.480) 23.026 1.473 ( -0.424 4.033 22.691) 23.050 1.815 ( -0.998 14.661 0.245) 14.697 1.898 ( 7.751 3.707 -8.432) 12.038 1.916 ( -5.436 1.995 -2.159) 6.180 1.967 ( -1.926 -0.782 -3.526) 4.093 2.268 ( -0.813 1.059 4.713) 4.899 2.349 ( -5.485 3.377 4.140) 7.657 2.402 ( 2.167 -0.891 -0.932) 2.521 2.596 ( -5.032 -8.231 3.095) 10.132 2.729 ( 2.030 -0.441 3.303) 3.902 2.867 ( 0.039 2.572 1.290) 2.878 2.927 ( -1.371 -1.179 0.048) 1.809 3.062 ( -0.342 -2.810 1.867) 3.390 3.200 ( 2.992 -2.267 -3.817) 5.354 3.255 ( 0.596 2.475 -4.124) 4.846 3.312 ( 2.776 -5.741 -0.185) 6.379 3.470 ( -3.815 3.881 -3.761) 6.615 3.526 ( -0.535 3.955 1.330) 4.207 3.585 ( 0.568 3.944 1.309) 4.194 3.712 ( -0.328 1.226 -2.598) 2.891 3.779 ( 4.580 5.015 0.207) 6.794 3.892 ( 0.308 6.381 -1.431) 6.546 3.975 ( 2.283 6.944 0.701) 7.343 4.046 ( -2.727 0.591 -0.648) 2.864 4.088 ( 1.943 8.806 -1.515) 9.144 4.137 ( -0.545 4.731 -8.645) 9.870 4.352 ( -0.988 1.564 -3.374) 3.847 4.381 ( 1.195 -0.667 -8.133) 8.247 4.450 ( 1.362 3.698 -0.028) 3.941 4.532 ( 1.280 1.161 0.557) 1.815 4.566 ( 0.161 0.594 1.732) 1.838 4.678 ( 3.218 1.102 -0.321) 3.417 4.770 ( 0.415 1.247 0.408) 1.376 4.790 ( -2.023 5.032 -6.279) 8.297 4.952 ( 0.285 -0.892 1.768) 2.000 5.040 ( -3.106 5.193 1.990) 6.369 5.112 ( 0.238 0.599 1.094) 1.270 5.144 ( 1.278 -4.555 -0.252) 4.738 5.230 ( 0.932 -3.357 2.830) 4.489 5.275 ( 1.866 0.494 0.571) 2.013 5.398 ( 2.870 -0.581 -1.432) 3.259 5.460 ( -0.986 2.275 0.399) 2.512 5.503 ( 0.354 1.897 -5.612) 5.935 5.610 ( -5.626 -0.632 2.618) 6.238 5.657 ( 0.200 -0.125 -2.284) 2.296 5.673 ( 1.177 -0.400 -1.489) 1.940 5.740 ( -3.270 -5.281 -2.500) 6.696 5.790 ( 3.902 1.219 2.025) 4.562 5.886 ( -0.298 0.475 1.345) 1.457 5.989 ( -1.603 -4.218 1.263) 4.686 6.082 ( -4.356 -0.699 6.468) 7.829 6.133 ( 2.264 -6.151 -6.803) 9.446 6.233 ( 0.098 3.287 3.417) 4.742 6.293 ( 0.653 4.871 -0.659) 4.959 6.552 ( -4.053 -6.356 4.984) 9.037 6.646 ( 1.387 -7.346 3.133) 8.105 6.744 ( 2.513 -1.570 -3.331) 4.458 6.929 ( -1.804 0.272 -4.929) 5.256 6.934 ( -0.305 -0.029 -1.289) 1.325 7.080 ( -0.727 0.123 -0.890) 1.156 7.278 ( 0.377 -2.490 -4.016) 4.740 7.376 ( -0.007 8.712 -6.294) 10.748 7.434 ( 3.018 1.028 8.444) 9.026 7.539 ( 1.849 2.483 3.335) 4.551 7.620 ( 0.981 -0.221 0.552) 1.147 7.694 ( -0.591 -1.010 -0.236) 1.194 7.734 ( -1.894 0.965 1.695) 2.718 7.776 ( 1.750 3.876 1.821) 4.626 7.958 ( -4.128 -2.568 0.378) 4.876 8.006 ( -3.697 0.118 -1.219) 3.895 8.077 ( 1.408 -2.086 0.438) 2.555 8.204 ( 4.141 -0.107 0.373) 4.159 8.263 ( -2.956 -1.431 -1.555) 3.634 8.423 ( -4.513 1.197 -2.183) 5.155 8.440 ( -0.173 -3.294 1.441) 3.600 8.502 ( 1.188 1.997 -0.629) 2.407 8.609 ( 0.211 -3.380 3.892) 5.159 8.715 ( 3.942 -7.926 1.869) 9.047 8.899 ( 0.686 0.546 -5.570) 5.638 9.058 ( -6.484 0.438 -1.033) 6.581 9.206 ( 4.065 -4.564 4.272) 7.457 9.253 ( 0.858 -3.693 -4.576) 5.943 9.381 ( 9.687 -0.477 7.296) 12.137 9.582 ( -2.575 -2.127 -0.529) 3.381 9.699 ( -0.811 3.413 1.978) 4.027 9.907 ( 0.772 1.872 1.275) 2.393 10.019 ( -0.283 0.919 -0.305) 1.009 10.048 ( 1.118 -3.241 -1.179) 3.625 10.138 ( -1.956 -4.405 3.847) 6.167 10.282 ( 1.729 1.431 -0.179) 2.251 10.323 ( -1.484 -0.780 1.023) 1.964 10.424 ( -3.337 3.050 -4.706) 6.526 10.590 ( -1.493 0.843 2.583) 3.100 10.633 ( 1.652 1.358 -2.021) 2.942 10.769 ( -0.833 -2.023 0.205) 2.197 10.795 ( 1.680 -0.127 -0.007) 1.684 10.834 ( -0.385 1.799 1.132) 2.160 10.925 ( -5.663 1.247 -0.965) 5.878 11.005 ( 4.660 2.207 1.938) 5.509 11.229 ( 5.487 -1.917 2.714) 6.415 11.255 ( -1.068 0.798 1.197) 1.792 11.343 ( -0.806 -3.395 -0.564) 3.534 11.491 ( 1.960 1.660 -1.592) 3.022 11.519 ( -1.179 -2.049 -0.212) 2.374 11.576 ( 2.814 -0.275 -1.337) 3.128 11.637 ( 1.736 2.138 -5.380) 6.044 11.817 ( -0.724 0.721 0.233) 1.048 11.836 ( 1.191 -1.997 1.587) 2.815 12.075 ( -1.758 -1.612 3.397) 4.151 12.738 ( -12.320 0.203 3.718) 12.870 12.859 ( 1.133 4.222 -0.763) 4.438 13.373 ( -0.278 -3.243 -4.954) 5.927 13.513 ( 0.005 -1.372 -1.582) 2.094 14.329 ( 1.259 2.544 1.426) 3.176 14.817 ( -0.880 4.510 -0.964) 4.696 15.196 ( 0.588 -2.024 0.835) 2.266 15.454 ( 2.785 0.885 -6.543) 7.166 15.859 ( -3.012 -6.743 5.886) 9.443 ======================= Grid point 88 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 11.007 -0.000 16.456) 19.798 1.462 ( 8.315 -0.000 13.146) 15.555 1.527 ( 6.454 -0.000 -14.326) 15.712 1.677 ( 14.924 -0.000 -11.624) 18.916 1.905 ( -4.315 0.000 5.687) 7.139 2.095 ( 2.427 -0.000 -0.307) 2.447 2.125 ( -0.597 0.000 5.720) 5.751 2.337 ( 17.879 -0.000 11.704) 21.369 2.397 ( 5.915 -0.000 -4.203) 7.257 2.462 ( 4.721 -0.000 -0.313) 4.731 2.809 ( 3.437 -0.000 -0.310) 3.451 2.813 ( -5.271 0.000 2.622) 5.887 2.868 ( -2.137 0.000 2.595) 3.362 2.940 ( 3.759 -0.000 -2.129) 4.320 3.070 ( -5.831 0.000 1.734) 6.084 3.148 ( -2.119 0.000 -3.961) 4.492 3.231 ( 5.948 -0.000 -8.845) 10.659 3.302 ( 2.833 -0.000 1.616) 3.261 3.415 ( 1.460 -0.000 0.564) 1.565 3.566 ( 4.344 -0.000 2.268) 4.901 3.652 ( -1.249 0.000 1.254) 1.770 3.668 ( -1.405 0.000 -5.840) 6.006 3.695 ( -0.138 0.000 -0.593) 0.609 3.835 ( 11.119 -0.000 -8.502) 13.997 3.873 ( 3.134 -0.000 -1.035) 3.300 3.946 ( 7.248 -0.000 2.182) 7.570 4.129 ( 1.015 -0.000 1.582) 1.879 4.156 ( -1.734 0.000 2.724) 3.229 4.196 ( 2.911 -0.000 0.754) 3.007 4.282 ( 1.921 -0.000 -0.360) 1.955 4.290 ( 3.458 -0.000 -1.724) 3.864 4.377 ( 2.915 -0.000 1.673) 3.361 4.613 ( 5.442 -0.000 -6.748) 8.669 4.721 ( -1.159 0.000 0.737) 1.374 4.761 ( 0.833 -0.000 -0.478) 0.961 4.786 ( 2.773 -0.000 1.422) 3.116 4.924 ( 3.300 -0.000 -4.933) 5.935 4.927 ( -4.622 0.000 -4.147) 6.210 5.078 ( -0.465 0.000 0.396) 0.611 5.174 ( -7.861 0.000 -5.727) 9.726 5.175 ( -4.478 0.000 -1.547) 4.738 5.297 ( 2.172 -0.000 3.513) 4.130 5.396 ( -4.247 0.000 -2.808) 5.092 5.480 ( -3.211 0.000 0.850) 3.321 5.571 ( -5.443 0.000 4.849) 7.290 5.581 ( -1.131 0.000 -4.491) 4.631 5.616 ( -2.327 0.000 2.702) 3.566 5.658 ( -3.484 0.000 1.698) 3.876 5.727 ( 4.786 -0.000 2.868) 5.579 5.796 ( 1.566 -0.000 1.612) 2.247 5.865 ( 5.715 -0.000 4.350) 7.182 6.017 ( -2.077 0.000 -7.275) 7.566 6.066 ( -1.514 0.000 0.987) 1.808 6.185 ( -4.381 0.000 1.537) 4.643 6.217 ( 3.849 -0.000 3.419) 5.148 6.236 ( 1.838 -0.000 0.773) 1.994 6.492 ( -4.183 0.000 1.292) 4.378 6.617 ( -3.903 0.000 5.680) 6.891 6.683 ( -1.814 0.000 3.696) 4.117 6.888 ( -2.717 0.000 -4.293) 5.081 6.976 ( -1.142 0.000 -1.963) 2.271 7.075 ( -0.078 0.000 -2.754) 2.755 7.164 ( -4.974 0.000 7.094) 8.665 7.354 ( 0.355 -0.000 -0.841) 0.913 7.356 ( -2.820 0.000 -2.777) 3.958 7.414 ( -3.839 0.000 -0.780) 3.917 7.593 ( -0.417 0.000 1.502) 1.558 7.749 ( 3.003 -0.000 0.262) 3.015 7.786 ( 2.188 -0.000 0.851) 2.347 7.826 ( -4.393 0.000 -1.813) 4.752 7.916 ( -0.391 0.000 4.459) 4.476 7.980 ( -1.066 0.000 7.989) 8.060 8.025 ( -3.103 0.000 -5.133) 5.998 8.165 ( 3.534 -0.000 -2.132) 4.127 8.189 ( -3.652 0.000 -0.188) 3.657 8.395 ( -1.452 0.000 -1.903) 2.394 8.411 ( -0.095 0.000 2.983) 2.984 8.489 ( -3.829 0.000 6.424) 7.478 8.659 ( -3.484 0.000 -0.084) 3.485 8.717 ( -4.378 0.000 -6.577) 7.900 8.931 ( 1.116 -0.000 3.323) 3.505 8.986 ( 3.779 -0.000 -0.240) 3.787 9.250 ( 1.025 -0.000 -4.458) 4.574 9.325 ( -1.789 0.000 0.528) 1.866 9.463 ( 1.110 -0.000 -2.805) 3.016 9.611 ( -0.387 0.000 -1.002) 1.075 9.759 ( -5.541 0.000 2.162) 5.948 9.891 ( -0.267 0.000 1.367) 1.393 9.978 ( -2.757 0.000 -2.697) 3.857 10.017 ( -3.855 0.000 -2.091) 4.386 10.120 ( 2.104 -0.000 -1.010) 2.334 10.232 ( -6.064 0.000 -4.055) 7.295 10.308 ( -0.406 0.000 0.580) 0.708 10.462 ( -2.871 0.000 2.813) 4.019 10.481 ( -6.388 0.000 2.145) 6.739 10.552 ( -1.134 0.000 0.243) 1.160 10.624 ( 6.343 -0.000 1.376) 6.490 10.836 ( 0.295 -0.000 -0.035) 0.297 10.883 ( 0.457 -0.000 -1.266) 1.346 10.922 ( -6.625 0.000 0.559) 6.649 11.117 ( 4.215 -0.000 -1.621) 4.516 11.171 ( 2.566 -0.000 1.237) 2.849 11.210 ( 2.800 -0.000 -0.754) 2.900 11.337 ( -6.037 0.000 -0.096) 6.038 11.418 ( -2.455 0.000 -2.193) 3.292 11.512 ( 2.134 -0.000 -3.677) 4.252 11.561 ( 3.058 -0.000 -1.482) 3.399 11.658 ( 3.254 -0.000 0.108) 3.256 11.869 ( 2.618 -0.000 1.018) 2.809 12.049 ( 6.818 -0.000 -1.132) 6.912 12.207 ( -3.855 0.000 4.672) 6.057 12.714 ( 4.781 -0.000 6.295) 7.905 12.776 ( 0.985 -0.000 -1.065) 1.450 13.407 ( -0.185 0.000 -0.024) 0.186 13.515 ( 1.049 -0.000 0.687) 1.254 14.618 ( 7.968 -0.000 -2.614) 8.386 14.904 ( 9.133 -0.000 1.569) 9.267 15.102 ( 1.789 -0.000 -0.518) 1.862 15.511 ( 1.006 -0.000 -0.014) 1.006 15.721 ( -15.149 0.000 2.919) 15.427 ======================= Grid point 89 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 9.129 13.533 -1.079) 16.360 1.584 ( 7.835 -5.491 -9.283) 13.331 1.619 ( 7.280 -4.423 4.590) 9.676 1.769 ( 8.833 2.770 7.822) 12.120 1.953 ( -1.180 -2.880 7.256) 7.895 2.069 ( 0.445 3.797 -0.413) 3.845 2.150 ( 1.303 -0.347 2.546) 2.881 2.358 ( 3.631 4.057 0.014) 5.445 2.521 ( 3.413 -0.603 1.833) 3.921 2.562 ( 8.784 -0.772 -2.457) 9.154 2.698 ( -1.505 4.276 1.304) 4.717 2.829 ( -0.230 0.590 -0.354) 0.725 2.924 ( -0.891 1.541 -2.856) 3.366 2.982 ( 2.177 -6.749 4.434) 8.364 3.055 ( -1.108 -2.308 1.749) 3.101 3.158 ( -0.510 -3.226 -2.837) 4.326 3.217 ( 5.054 3.843 -0.385) 6.361 3.312 ( 0.568 0.472 0.908) 1.171 3.381 ( 2.268 3.228 -0.462) 3.972 3.567 ( 0.418 3.119 -5.546) 6.377 3.628 ( 1.231 -1.654 0.081) 2.064 3.686 ( -0.150 -3.186 -1.691) 3.610 3.762 ( 4.154 -5.306 -1.202) 6.845 3.853 ( 7.066 -0.188 -5.250) 8.805 3.961 ( 4.340 -4.070 -0.141) 5.952 4.057 ( 4.284 -0.584 1.857) 4.705 4.111 ( 2.141 -1.059 2.838) 3.710 4.220 ( 1.717 -4.606 0.640) 4.957 4.256 ( -1.092 0.130 -2.062) 2.337 4.275 ( 2.668 -4.470 1.470) 5.409 4.382 ( 4.762 -5.196 1.935) 7.309 4.440 ( 3.000 -0.758 2.507) 3.982 4.624 ( 3.653 -0.403 -5.270) 6.425 4.717 ( -1.466 -1.775 -2.652) 3.512 4.752 ( 2.137 1.442 2.386) 3.512 4.833 ( -4.374 0.781 -3.076) 5.404 4.880 ( 0.858 -4.319 3.543) 5.652 4.947 ( -1.906 -0.957 -0.019) 2.133 5.052 ( -1.624 2.214 -3.827) 4.710 5.076 ( -2.980 -2.103 -3.958) 5.383 5.158 ( 0.163 -2.565 0.814) 2.696 5.303 ( -6.765 -0.015 -8.406) 10.790 5.319 ( -1.893 -0.599 -3.351) 3.895 5.458 ( -0.997 1.515 7.531) 7.746 5.516 ( -2.431 5.199 -1.101) 5.844 5.535 ( -2.184 0.495 -1.018) 2.460 5.574 ( -1.219 3.886 3.335) 5.264 5.648 ( -0.976 1.984 4.060) 4.623 5.737 ( -0.388 -0.026 3.181) 3.205 5.864 ( -3.137 4.895 -3.923) 7.013 5.903 ( 4.430 -2.518 1.364) 5.276 6.001 ( -2.621 6.011 0.131) 6.558 6.040 ( 5.109 -8.459 1.728) 10.033 6.221 ( -1.379 -2.309 -0.310) 2.707 6.262 ( 0.380 -0.910 0.129) 0.994 6.298 ( 0.991 -7.853 -1.602) 8.076 6.497 ( -1.712 -1.774 2.310) 3.379 6.596 ( -2.224 2.937 5.794) 6.866 6.698 ( -2.185 -0.573 6.058) 6.465 6.815 ( -3.358 1.897 -3.435) 5.165 6.971 ( -0.679 -1.396 -0.592) 1.661 7.041 ( -1.112 1.341 -3.279) 3.713 7.145 ( -5.082 0.186 4.404) 6.727 7.287 ( 2.904 4.785 -2.412) 6.095 7.344 ( -1.950 -0.346 -0.859) 2.159 7.438 ( -3.912 -5.325 -1.516) 6.779 7.614 ( -1.364 -1.959 2.503) 3.459 7.753 ( -1.408 1.857 -2.807) 3.648 7.765 ( 2.809 0.821 -1.687) 3.378 7.825 ( -0.737 -1.144 2.461) 2.812 7.875 ( -0.338 1.070 -0.955) 1.473 8.008 ( -3.200 1.839 6.703) 7.652 8.037 ( -1.009 -4.372 -2.035) 4.927 8.185 ( 5.553 1.050 -2.663) 6.247 8.225 ( -1.650 -5.752 1.175) 6.098 8.356 ( -2.278 3.264 -0.097) 3.981 8.415 ( -0.539 -0.449 0.283) 0.756 8.492 ( -3.251 0.350 6.194) 7.004 8.600 ( -4.239 2.187 1.798) 5.098 8.612 ( -5.557 2.381 -7.010) 9.257 8.951 ( 1.141 1.274 3.666) 4.046 9.027 ( 4.726 0.054 -2.280) 5.247 9.203 ( -1.187 2.793 -3.394) 4.553 9.312 ( -0.871 0.173 0.310) 0.941 9.419 ( 2.785 3.956 -3.587) 6.023 9.647 ( -0.427 -4.597 0.530) 4.647 9.738 ( -4.104 -1.405 1.809) 4.700 9.880 ( -0.626 0.969 -0.996) 1.525 9.928 ( -0.750 0.697 -2.639) 2.830 10.019 ( -3.617 -3.141 -0.283) 4.798 10.119 ( -1.047 1.067 2.478) 2.894 10.165 ( -0.287 0.252 -3.062) 3.086 10.295 ( -1.734 1.088 1.784) 2.715 10.438 ( -5.080 -0.593 1.333) 5.285 10.463 ( -2.804 -1.122 1.929) 3.583 10.579 ( -1.246 -3.402 0.987) 3.755 10.706 ( 8.636 0.560 1.084) 8.722 10.804 ( -2.872 -0.132 -1.084) 3.072 10.840 ( -0.177 1.508 1.643) 2.237 10.965 ( -2.928 -4.510 -0.880) 5.448 11.106 ( 4.762 3.164 -3.490) 6.698 11.198 ( -0.678 0.213 0.515) 0.877 11.226 ( 1.005 1.328 0.460) 1.728 11.264 ( -3.903 0.206 0.081) 3.910 11.427 ( -2.101 -3.382 -0.317) 3.994 11.508 ( 2.375 0.069 -3.361) 4.117 11.586 ( 3.063 -0.726 -1.602) 3.532 11.682 ( 2.768 0.401 -0.125) 2.799 11.892 ( 1.881 0.450 0.987) 2.171 12.062 ( 5.633 4.212 -1.962) 7.302 12.186 ( -3.411 1.610 3.580) 5.201 12.735 ( 2.494 1.825 2.185) 3.785 12.850 ( -0.317 -4.656 2.803) 5.444 13.376 ( 0.151 3.389 0.142) 3.396 13.527 ( 0.742 0.299 0.169) 0.818 14.624 ( 5.993 4.463 -1.182) 7.565 14.995 ( 8.130 0.102 1.357) 8.243 15.160 ( 1.528 -4.876 -0.646) 5.151 15.433 ( -3.458 7.805 -1.483) 8.665 15.651 ( -8.719 -3.640 1.478) 9.563 ======================= Grid point 91 (39/93) ======================= q-point: ( 0.50 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 9.353 16.072 -0.888) 18.616 1.606 ( 4.308 0.479 -8.645) 9.671 1.787 ( 0.987 -3.300 4.874) 5.969 1.831 ( 8.234 2.456 5.658) 10.288 1.953 ( 2.227 4.092 -3.826) 6.028 2.052 ( 2.990 0.415 7.554) 8.135 2.221 ( -3.460 -2.692 3.767) 5.780 2.310 ( 1.876 2.362 -1.080) 3.204 2.444 ( -1.315 9.892 2.173) 10.213 2.553 ( -1.087 3.015 0.165) 3.209 2.711 ( 2.303 -1.773 -1.500) 3.271 2.806 ( -1.841 5.441 3.672) 6.818 2.863 ( -3.361 -0.697 -1.447) 3.725 3.053 ( 1.040 2.642 -0.429) 2.871 3.124 ( 3.102 -1.823 -4.447) 5.720 3.131 ( 0.839 -0.716 3.232) 3.416 3.242 ( -2.609 0.948 3.078) 4.145 3.332 ( 2.532 -1.676 -3.398) 4.557 3.422 ( 2.933 -6.171 1.965) 7.110 3.541 ( 3.313 -1.839 -4.587) 5.950 3.646 ( -1.529 -3.747 -4.222) 5.848 3.724 ( 0.688 -0.922 1.270) 1.714 3.856 ( 1.722 -2.001 -5.835) 6.404 3.924 ( 6.824 -5.458 0.153) 8.740 4.009 ( -0.664 4.903 1.555) 5.186 4.076 ( 3.342 -4.490 3.468) 6.584 4.197 ( 0.157 -2.960 -3.414) 4.521 4.265 ( 2.526 -1.311 3.628) 4.611 4.338 ( 6.221 -4.547 -0.806) 7.747 4.383 ( 2.733 -4.823 -1.178) 5.667 4.500 ( 4.281 -2.106 1.544) 5.015 4.524 ( 0.037 -4.644 2.581) 5.314 4.587 ( 1.887 2.456 -0.446) 3.129 4.731 ( -1.324 -3.854 2.136) 4.601 4.760 ( -4.220 -0.159 0.665) 4.275 4.789 ( -1.576 -2.081 -6.081) 6.618 4.879 ( 2.641 1.976 0.296) 3.312 4.996 ( -1.264 -0.859 1.642) 2.243 5.050 ( -0.513 -4.170 -4.037) 5.826 5.068 ( -3.518 1.499 -0.175) 3.828 5.215 ( -0.677 -2.844 -4.739) 5.568 5.251 ( -1.048 -6.073 3.449) 7.062 5.288 ( -0.466 -0.213 -4.543) 4.572 5.356 ( 1.090 8.328 0.378) 8.407 5.487 ( -5.201 0.350 0.145) 5.215 5.515 ( -1.153 0.660 1.791) 2.230 5.536 ( 0.494 -2.529 -0.934) 2.741 5.634 ( -2.840 -0.342 3.345) 4.401 5.768 ( -2.495 -0.451 1.495) 2.944 5.808 ( -2.501 4.523 1.594) 5.408 5.880 ( 0.612 1.509 1.191) 2.017 5.916 ( 1.157 1.045 -0.128) 1.565 6.165 ( 4.387 0.882 -1.938) 4.876 6.215 ( 3.891 3.158 3.331) 6.018 6.257 ( -3.025 -2.223 -5.920) 7.009 6.446 ( 0.759 -4.521 -0.750) 4.645 6.501 ( 0.407 -2.572 -2.048) 3.313 6.588 ( 1.489 0.460 2.657) 3.080 6.702 ( -4.810 4.507 1.917) 6.865 6.752 ( -2.151 0.292 6.275) 6.639 6.991 ( -3.789 -1.628 0.899) 4.221 7.025 ( 1.746 -2.497 -2.057) 3.677 7.152 ( -1.912 -2.402 1.248) 3.314 7.204 ( -0.907 1.755 -1.372) 2.405 7.346 ( 1.554 -0.063 0.307) 1.585 7.482 ( -2.412 -5.496 -3.796) 7.102 7.660 ( -3.115 -3.622 4.441) 6.522 7.732 ( 1.757 0.079 -2.508) 3.063 7.776 ( 1.701 -1.138 -0.666) 2.152 7.819 ( -2.881 0.226 3.527) 4.559 7.900 ( 1.026 -2.873 -1.476) 3.389 7.986 ( -3.486 -0.128 2.746) 4.440 8.058 ( -0.442 0.711 -1.416) 1.645 8.188 ( 5.002 2.657 -1.753) 5.929 8.270 ( -0.875 4.413 1.178) 4.651 8.288 ( 1.193 -2.181 -2.630) 3.619 8.405 ( -0.997 1.056 -1.247) 1.914 8.459 ( -5.652 4.691 -4.793) 8.771 8.500 ( -4.074 -0.579 6.070) 7.334 8.603 ( -3.082 -4.912 2.668) 6.383 8.972 ( -0.198 -0.816 1.500) 1.719 9.011 ( 4.656 4.828 -2.434) 7.136 9.114 ( -2.235 2.547 -3.759) 5.061 9.294 ( 0.987 2.782 -0.648) 3.023 9.379 ( 3.309 3.051 0.504) 4.529 9.719 ( -2.913 -4.085 0.927) 5.102 9.756 ( 1.701 -2.802 -1.887) 3.783 9.879 ( 0.420 -2.882 -2.614) 3.914 9.905 ( -0.413 0.847 1.749) 1.987 9.997 ( -3.662 2.357 1.828) 4.723 10.150 ( 0.308 -2.800 0.444) 2.852 10.167 ( 0.068 -2.859 -0.492) 2.902 10.273 ( -1.813 2.014 4.029) 4.856 10.431 ( -1.046 -0.630 0.026) 1.222 10.476 ( -3.815 -3.317 1.298) 5.220 10.627 ( -1.673 -3.005 1.154) 3.628 10.733 ( 1.948 -0.251 -1.367) 2.393 10.818 ( 0.697 1.430 1.049) 1.906 10.852 ( 2.342 -2.617 1.611) 3.863 10.973 ( -1.263 1.201 1.084) 2.053 11.077 ( 3.173 1.506 -4.624) 5.807 11.129 ( -3.916 3.295 -0.094) 5.119 11.226 ( 0.162 -0.417 0.292) 0.535 11.276 ( -1.949 -1.773 2.234) 3.454 11.464 ( -1.288 -3.058 -0.630) 3.377 11.509 ( 2.956 0.542 -2.181) 3.713 11.612 ( 2.840 -0.503 -2.101) 3.568 11.695 ( 1.754 0.062 -0.421) 1.805 11.898 ( 0.935 0.995 0.537) 1.467 11.996 ( 3.697 7.275 -2.253) 8.465 12.146 ( -2.594 2.283 2.167) 4.079 12.748 ( 0.855 0.417 2.055) 2.264 12.917 ( -2.538 -3.429 2.515) 4.952 13.318 ( 0.593 3.900 -0.474) 3.973 13.518 ( 0.405 1.405 -0.065) 1.463 14.587 ( 4.820 5.673 -0.026) 7.444 15.045 ( 4.169 1.141 0.047) 4.322 15.230 ( -3.342 3.111 1.599) 4.838 15.282 ( 0.988 -1.801 -5.370) 5.749 15.661 ( -4.102 -2.691 1.684) 5.187 ======================= Grid point 92 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 3.973 15.249 -6.045) 16.877 1.554 ( 2.656 7.000 -0.406) 7.498 1.743 ( -2.187 8.769 6.810) 11.316 1.843 ( 4.063 5.542 1.764) 7.095 1.985 ( 2.205 -4.080 -5.965) 7.556 2.140 ( 6.918 -2.157 1.094) 7.328 2.198 ( -1.619 0.799 4.830) 5.157 2.248 ( 0.383 7.851 1.448) 7.992 2.381 ( -4.170 -0.927 1.914) 4.681 2.476 ( -7.370 -0.087 0.369) 7.380 2.676 ( -3.976 7.602 4.937) 9.898 2.766 ( 3.375 -0.770 0.501) 3.498 2.827 ( -2.303 3.165 0.473) 3.942 2.977 ( -1.071 3.195 -1.287) 3.607 3.097 ( -1.287 3.231 -3.938) 5.254 3.178 ( -0.389 0.787 1.536) 1.769 3.202 ( -0.761 0.419 1.223) 1.500 3.403 ( 6.756 -5.283 -4.762) 9.809 3.539 ( -3.865 -4.831 -3.314) 7.019 3.583 ( 6.482 0.422 3.195) 7.239 3.655 ( -1.605 0.295 2.201) 2.740 3.775 ( 0.748 -3.167 -4.803) 5.802 3.822 ( -3.250 -2.480 -5.202) 6.616 3.964 ( 0.530 0.107 1.351) 1.455 4.060 ( 4.545 -1.988 4.084) 6.425 4.189 ( 1.480 -3.510 -2.948) 4.816 4.202 ( 2.056 0.140 1.624) 2.624 4.311 ( 0.508 0.466 0.885) 1.122 4.424 ( -0.739 -0.063 0.837) 1.118 4.444 ( 5.748 -1.807 -0.683) 6.064 4.506 ( 0.291 -0.666 0.301) 0.786 4.593 ( 5.830 2.466 -0.587) 6.357 4.620 ( -2.165 -3.187 0.654) 3.907 4.715 ( -4.127 -0.728 -2.408) 4.834 4.809 ( 2.670 0.056 0.758) 2.776 4.828 ( -1.227 -4.795 0.530) 4.977 4.909 ( 1.677 2.326 0.044) 2.868 4.949 ( -0.173 -0.464 2.711) 2.755 4.992 ( -3.347 -1.004 -0.514) 3.532 5.067 ( 0.337 -0.072 -0.901) 0.964 5.234 ( 1.353 0.448 -3.742) 4.005 5.256 ( -1.028 -3.263 -3.502) 4.896 5.292 ( 3.516 -0.154 2.671) 4.418 5.416 ( 0.405 -3.459 1.198) 3.683 5.470 ( -2.713 -3.856 -0.350) 4.728 5.493 ( 0.370 -0.519 -3.230) 3.293 5.599 ( -2.503 -3.757 -3.693) 5.832 5.652 ( -1.639 -3.867 0.201) 4.205 5.679 ( -1.796 3.563 0.341) 4.005 5.770 ( -1.863 -1.096 0.757) 2.290 5.831 ( -1.881 2.161 3.737) 4.709 6.059 ( 0.096 -7.377 4.027) 8.405 6.105 ( 2.683 4.838 -1.902) 5.850 6.194 ( 0.789 3.999 2.406) 4.733 6.235 ( 1.635 1.554 -2.747) 3.555 6.387 ( 2.456 6.064 -3.785) 7.559 6.510 ( -0.839 3.440 -4.448) 5.685 6.603 ( -4.959 1.206 1.893) 5.444 6.673 ( 4.310 -1.233 3.349) 5.596 6.748 ( -1.735 -0.570 1.622) 2.442 7.013 ( -6.202 -4.965 2.489) 8.325 7.027 ( 2.173 1.686 -2.205) 3.525 7.137 ( 0.144 0.076 0.166) 0.232 7.333 ( -0.306 -11.368 3.328) 11.849 7.378 ( 2.925 -0.945 2.225) 3.795 7.509 ( 0.508 -1.909 -5.368) 5.720 7.658 ( -4.361 2.796 -0.284) 5.189 7.762 ( -0.681 -3.925 3.261) 5.148 7.787 ( -0.189 -0.828 0.423) 0.949 7.840 ( 0.636 2.546 3.667) 4.509 7.951 ( -3.934 -4.952 -4.147) 7.563 7.996 ( -1.788 -2.154 -1.197) 3.045 8.016 ( 3.383 -0.455 0.942) 3.541 8.188 ( 2.737 2.689 3.042) 4.897 8.232 ( 1.601 1.226 0.932) 2.221 8.302 ( 3.224 0.290 -0.859) 3.349 8.333 ( -2.381 3.111 -2.312) 4.549 8.363 ( -1.699 0.918 -1.886) 2.699 8.525 ( -2.938 -1.876 4.668) 5.827 8.698 ( -0.309 -6.427 0.014) 6.434 8.900 ( 1.121 5.114 -5.772) 7.793 8.998 ( -3.342 -0.235 -2.473) 4.164 9.078 ( 1.366 -0.610 1.043) 1.824 9.244 ( 1.637 3.201 -2.180) 4.205 9.371 ( 2.055 2.993 4.374) 5.685 9.714 ( -1.005 0.162 -5.199) 5.298 9.817 ( 1.497 -2.468 0.422) 2.917 9.912 ( -0.668 0.510 -0.153) 0.855 9.935 ( 0.610 -1.996 3.821) 4.354 9.949 ( -1.332 -1.117 0.711) 1.878 10.144 ( -0.226 1.506 0.541) 1.616 10.249 ( -1.544 1.892 3.242) 4.059 10.288 ( -0.468 -9.234 0.773) 9.278 10.418 ( -0.122 1.468 0.238) 1.492 10.513 ( -1.183 -2.794 -0.105) 3.036 10.652 ( -2.049 -1.877 0.084) 2.780 10.756 ( -0.511 -2.655 -3.348) 4.304 10.799 ( -0.243 2.082 0.974) 2.312 10.915 ( 5.136 0.085 0.564) 5.167 10.953 ( -1.520 0.623 5.302) 5.551 11.053 ( 0.496 2.186 0.798) 2.380 11.064 ( -0.873 0.475 -3.154) 3.307 11.240 ( -0.044 -0.891 0.834) 1.221 11.299 ( -2.183 -1.332 3.139) 4.049 11.475 ( -0.891 -1.142 -3.363) 3.662 11.529 ( 3.765 0.147 0.722) 3.837 11.616 ( 2.602 1.319 -3.117) 4.269 11.712 ( 0.140 -1.538 -0.302) 1.574 11.873 ( -0.095 4.333 -2.355) 4.933 11.896 ( 2.486 4.924 -0.003) 5.516 12.100 ( -1.923 2.114 1.104) 3.064 12.750 ( -2.854 0.501 3.216) 4.329 12.948 ( -2.133 -1.803 0.983) 2.961 13.271 ( 0.912 1.458 -2.173) 2.771 13.496 ( 0.102 1.439 0.057) 1.444 14.530 ( 2.786 6.141 0.804) 6.791 15.037 ( 1.074 2.567 -0.706) 2.871 15.110 ( -2.801 3.286 -1.881) 4.709 15.373 ( 3.303 -5.694 -3.075) 7.266 15.679 ( -2.565 -1.796 2.594) 4.066 ======================= Grid point 93 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -1.264 11.825 -16.609) 20.427 1.442 ( 3.088 12.237 7.229) 14.544 1.595 ( -4.899 10.376 9.695) 15.022 1.815 ( -0.202 1.212 0.697) 1.413 1.985 ( 1.993 0.797 -2.412) 3.229 2.129 ( 2.833 6.603 -5.096) 8.809 2.233 ( 0.686 -1.306 2.104) 2.570 2.255 ( 0.344 -1.871 3.025) 3.574 2.349 ( -9.111 -4.427 1.869) 10.301 2.416 ( -5.360 3.642 -0.065) 6.480 2.565 ( 0.695 8.818 5.508) 10.420 2.736 ( 0.814 2.038 1.009) 2.415 2.854 ( 2.132 -2.251 3.849) 4.943 2.952 ( 0.542 -1.607 -2.306) 2.863 2.993 ( -1.437 4.193 -2.111) 4.910 3.158 ( -0.681 0.043 -0.233) 0.721 3.217 ( 1.781 0.198 0.923) 2.016 3.470 ( -0.322 4.442 -1.903) 4.843 3.518 ( 2.616 -3.280 -0.486) 4.223 3.617 ( -1.084 3.961 -4.528) 6.113 3.659 ( -2.897 0.723 -0.202) 2.993 3.684 ( -0.478 -0.080 1.460) 1.538 3.897 ( 1.043 -4.430 -2.732) 5.308 4.011 ( 1.776 0.845 3.192) 3.749 4.091 ( 1.808 1.909 2.184) 3.418 4.178 ( 1.793 4.118 -0.201) 4.496 4.215 ( 2.987 0.376 -4.668) 5.555 4.302 ( 0.646 1.631 -1.816) 2.525 4.428 ( -1.256 -1.421 -0.043) 1.897 4.450 ( 2.541 4.693 -2.013) 5.704 4.459 ( -2.476 4.640 -2.729) 5.925 4.595 ( 0.257 1.596 0.051) 1.617 4.619 ( -2.113 1.315 0.141) 2.493 4.705 ( -1.903 -2.672 1.002) 3.430 4.750 ( 5.403 4.439 2.211) 7.334 4.880 ( 2.447 -0.975 1.092) 2.851 4.929 ( -2.351 -1.829 -0.239) 2.988 4.975 ( -2.518 -2.442 -0.106) 3.509 5.055 ( 0.263 -3.179 3.701) 4.886 5.101 ( 2.497 -2.161 1.454) 3.608 5.207 ( -1.825 1.338 -4.443) 4.986 5.297 ( 1.302 -5.551 -2.249) 6.130 5.364 ( 5.116 -0.076 3.212) 6.041 5.456 ( 2.052 -1.567 -1.998) 3.265 5.481 ( -0.795 -4.772 -2.788) 5.583 5.530 ( -0.440 -1.120 -2.685) 2.943 5.572 ( -0.659 -2.426 -3.680) 4.457 5.656 ( -3.509 -0.617 -2.419) 4.307 5.709 ( -0.852 -5.641 -0.059) 5.705 5.774 ( 0.156 3.170 4.956) 5.885 5.859 ( -1.703 -3.531 0.013) 3.921 5.983 ( -2.419 4.974 -2.627) 6.123 6.084 ( 0.027 3.088 -2.826) 4.186 6.176 ( 2.405 5.710 -0.523) 6.218 6.293 ( -1.334 -5.057 3.280) 6.173 6.321 ( 3.432 0.617 1.901) 3.972 6.407 ( -1.785 2.791 -1.689) 3.719 6.572 ( -3.867 1.238 6.154) 7.372 6.685 ( 0.223 -0.059 0.867) 0.897 6.807 ( 3.568 -3.674 -4.980) 7.144 6.992 ( 1.521 1.540 -1.585) 2.683 7.075 ( -3.700 -3.484 2.293) 5.575 7.160 ( -1.294 -3.501 -0.055) 3.732 7.452 ( -0.944 1.347 -0.084) 1.647 7.458 ( 3.694 -2.589 3.502) 5.711 7.506 ( 0.855 -2.661 -0.094) 2.797 7.580 ( -4.060 -1.635 -3.695) 5.728 7.781 ( -1.344 2.145 1.061) 2.745 7.805 ( -0.027 3.063 3.597) 4.725 7.841 ( 1.142 -2.290 4.584) 5.250 7.910 ( -3.474 1.403 -0.658) 3.804 8.019 ( 2.077 -2.176 -1.919) 3.568 8.096 ( -1.098 0.293 0.397) 1.203 8.173 ( 4.239 1.912 0.105) 4.651 8.269 ( -2.481 2.262 -1.187) 3.561 8.278 ( 0.266 -4.497 1.669) 4.804 8.355 ( 1.861 -4.940 2.149) 5.700 8.409 ( 5.057 -5.661 1.787) 7.798 8.543 ( -1.600 -0.106 1.380) 2.116 8.716 ( 1.776 4.732 -3.790) 6.317 8.845 ( -1.951 -2.844 -4.678) 5.812 8.969 ( -3.053 -4.178 -3.358) 6.169 9.113 ( 0.360 -1.056 1.146) 1.600 9.205 ( 0.367 0.924 -2.824) 2.994 9.388 ( 3.566 1.849 7.031) 8.097 9.644 ( -1.685 2.852 -5.140) 6.115 9.825 ( 0.147 2.972 0.180) 2.981 9.907 ( 0.842 -1.577 0.876) 1.991 9.982 ( 0.723 -1.695 -1.569) 2.420 10.000 ( -0.995 -2.387 4.622) 5.296 10.118 ( -1.028 1.640 1.065) 2.210 10.233 ( -1.241 0.127 2.237) 2.562 10.381 ( -0.189 0.875 0.702) 1.137 10.447 ( -0.018 -7.329 0.546) 7.350 10.511 ( -1.602 0.712 -2.125) 2.754 10.661 ( -0.568 -1.334 -1.068) 1.801 10.750 ( 0.182 -0.026 -4.125) 4.129 10.766 ( 0.328 2.035 1.221) 2.396 10.928 ( -1.094 1.420 2.240) 2.869 10.967 ( -3.665 0.549 0.480) 3.737 11.058 ( 2.956 1.069 0.951) 3.284 11.080 ( 4.041 -3.785 2.993) 6.294 11.261 ( -0.252 -0.696 1.828) 1.972 11.320 ( -0.261 -0.262 3.346) 3.367 11.459 ( -0.731 -0.774 -2.830) 3.023 11.565 ( 4.018 0.662 0.427) 4.094 11.581 ( 2.268 2.351 -3.760) 4.981 11.737 ( -2.123 -1.083 0.887) 2.543 11.774 ( 2.085 3.872 -3.922) 5.893 11.868 ( 0.821 1.977 0.201) 2.150 12.066 ( -1.407 1.012 1.076) 2.040 12.723 ( -7.105 0.201 4.501) 8.413 12.949 ( -0.516 0.511 -0.410) 0.834 13.265 ( 0.963 -1.912 -4.180) 4.697 13.480 ( -0.383 0.349 0.263) 0.581 14.457 ( 0.680 5.510 1.342) 5.712 14.973 ( -0.354 4.646 -0.794) 4.726 15.082 ( -0.203 -2.037 -0.591) 2.131 15.448 ( 3.322 -3.049 -5.829) 7.369 15.714 ( -2.335 -2.758 4.437) 5.722 ======================= Grid point 94 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 2.629 -0.470 -13.375) 13.639 1.285 ( 2.263 16.661 11.538) 20.392 1.556 ( -0.741 -0.973 9.642) 9.719 1.816 ( -3.997 -2.613 1.765) 5.091 1.944 ( -3.747 4.461 -3.630) 6.864 2.018 ( 9.127 5.555 -6.264) 12.386 2.172 ( 0.780 15.203 0.300) 15.226 2.270 ( -2.203 -1.920 4.440) 5.315 2.340 ( -0.798 -0.250 3.364) 3.466 2.380 ( -6.249 -6.301 -0.270) 8.879 2.533 ( 5.424 2.610 4.724) 7.652 2.760 ( 1.703 -0.614 0.855) 2.002 2.898 ( -1.204 0.579 3.484) 3.732 2.943 ( 2.449 1.514 0.597) 2.941 2.996 ( -2.013 -4.067 1.423) 4.756 3.179 ( 4.032 -0.997 -3.685) 5.552 3.248 ( 1.281 -2.316 -0.082) 2.648 3.357 ( 1.044 7.720 -1.020) 7.856 3.460 ( -5.540 3.451 -3.430) 7.373 3.567 ( -0.023 0.659 2.595) 2.678 3.652 ( 0.382 1.358 1.250) 1.885 3.681 ( -0.081 0.725 -2.204) 2.322 3.924 ( -0.326 -0.362 -2.629) 2.674 3.950 ( 4.740 8.506 1.276) 9.821 4.069 ( -1.141 6.064 -2.483) 6.652 4.121 ( 6.648 4.062 0.571) 7.812 4.175 ( -2.763 5.844 -5.082) 8.223 4.217 ( 3.462 4.619 -4.236) 7.160 4.350 ( 0.472 4.555 -4.012) 6.088 4.391 ( 2.838 2.465 -3.853) 5.383 4.461 ( -2.540 -2.680 -2.460) 4.436 4.514 ( 1.130 0.908 3.253) 3.562 4.632 ( -1.014 1.979 3.426) 4.085 4.726 ( -3.033 2.083 -3.153) 4.845 4.757 ( 1.708 0.861 4.477) 4.868 4.863 ( 4.309 2.197 -4.555) 6.644 4.955 ( 0.997 -0.749 1.364) 1.848 5.015 ( -3.222 -5.342 -1.205) 6.353 5.104 ( -2.128 -0.139 6.137) 6.497 5.130 ( -2.733 0.512 -1.161) 3.013 5.174 ( 2.989 -2.459 0.082) 3.871 5.360 ( -0.077 -2.840 -0.032) 2.842 5.400 ( 3.497 5.368 3.522) 7.311 5.487 ( 2.555 0.376 1.151) 2.827 5.493 ( -0.962 0.852 -5.556) 5.703 5.556 ( -2.826 -4.625 -0.477) 5.440 5.599 ( -0.627 -3.782 -3.114) 4.939 5.605 ( -2.518 -1.380 -5.563) 6.260 5.725 ( -0.640 4.618 1.913) 5.040 5.790 ( 1.336 -4.705 -1.397) 5.086 5.882 ( -0.739 -2.178 -0.877) 2.461 5.917 ( -1.160 -0.385 -2.317) 2.620 6.054 ( -1.226 -1.116 1.773) 2.428 6.117 ( 2.210 2.315 -0.672) 3.271 6.265 ( -0.020 2.543 -0.762) 2.655 6.365 ( 0.088 -0.371 1.206) 1.264 6.466 ( -2.965 -5.012 7.788) 9.724 6.605 ( -0.573 -2.777 7.121) 7.665 6.705 ( -0.178 -2.167 -0.857) 2.337 6.837 ( 1.265 -1.649 -7.628) 7.906 6.983 ( 2.779 1.735 0.171) 3.280 7.051 ( -3.608 0.182 -3.714) 5.181 7.207 ( -1.375 -3.397 -1.733) 4.053 7.429 ( -1.536 3.211 -3.631) 5.084 7.457 ( 0.157 -1.199 3.482) 3.686 7.581 ( 1.235 -4.260 1.485) 4.677 7.616 ( -2.467 -1.863 1.686) 3.521 7.734 ( 1.343 2.889 4.613) 5.606 7.761 ( -1.249 4.082 1.714) 4.600 7.861 ( 1.564 3.169 2.982) 4.624 7.926 ( -1.350 -2.210 3.005) 3.967 8.002 ( -3.577 6.026 -1.201) 7.110 8.056 ( 2.318 -2.432 -1.708) 3.769 8.198 ( -3.600 0.760 -1.819) 4.104 8.221 ( 2.909 -1.927 -0.421) 3.514 8.362 ( -1.942 -4.604 1.008) 5.098 8.458 ( -0.977 1.854 3.604) 4.169 8.516 ( 3.858 -3.080 -1.127) 5.064 8.606 ( 1.362 -5.802 -0.979) 6.040 8.626 ( 2.015 1.344 1.634) 2.922 8.844 ( 0.142 -3.211 -6.978) 7.683 8.999 ( -4.629 -2.302 1.338) 5.340 9.158 ( 0.908 -4.670 0.089) 4.758 9.186 ( -0.297 -1.300 -3.556) 3.798 9.477 ( 5.890 -1.843 7.405) 9.640 9.543 ( -3.005 2.715 -4.332) 5.930 9.772 ( 0.754 4.123 0.583) 4.232 9.945 ( 0.486 -0.554 1.262) 1.461 9.989 ( 1.084 -0.733 -2.521) 2.841 10.035 ( -2.091 -0.648 1.195) 2.494 10.099 ( -1.560 -0.345 2.584) 3.038 10.263 ( -0.127 -2.637 2.533) 3.658 10.361 ( 0.858 2.237 0.863) 2.546 10.429 ( -2.108 3.675 -3.244) 5.336 10.551 ( -2.476 -4.046 0.544) 4.775 10.668 ( 1.934 0.648 -1.320) 2.430 10.722 ( -0.905 -0.559 -3.723) 3.872 10.768 ( -1.202 -0.936 1.625) 2.227 10.893 ( -3.202 0.735 0.473) 3.319 10.918 ( 0.303 3.829 2.118) 4.387 11.073 ( 2.658 0.862 0.644) 2.868 11.203 ( 0.372 -4.921 2.126) 5.374 11.277 ( 0.438 -0.056 1.741) 1.797 11.336 ( 2.442 1.070 -0.049) 2.667 11.472 ( 0.584 -1.978 0.284) 2.082 11.543 ( 1.961 1.900 -0.320) 2.749 11.592 ( 5.027 0.546 -3.553) 6.180 11.666 ( -1.202 3.823 -2.742) 4.855 11.796 ( 0.486 -2.968 0.108) 3.010 11.847 ( 0.615 1.260 -0.380) 1.452 12.065 ( -0.427 -0.799 2.248) 2.424 12.676 ( -9.237 0.408 4.875) 10.453 12.921 ( 0.689 2.619 -0.489) 2.752 13.287 ( 0.404 -3.250 -4.416) 5.498 13.484 ( -0.411 -1.156 0.067) 1.229 14.399 ( 0.960 3.277 1.260) 3.640 14.893 ( 1.394 5.149 -0.668) 5.376 15.146 ( -0.018 -4.984 1.665) 5.255 15.451 ( 2.801 0.604 -7.743) 8.257 15.772 ( -4.083 -4.030 5.129) 7.695 ======================= Grid point 99 (43/93) ======================= q-point: ( 0.38 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 8.205 -0.000 -10.501) 13.327 1.558 ( 8.330 -0.000 -7.226) 11.027 1.681 ( 4.840 -0.000 7.509) 8.934 1.910 ( -4.735 0.000 7.727) 9.062 1.959 ( 5.030 -0.000 13.178) 14.105 2.092 ( -1.456 0.000 -0.349) 1.497 2.171 ( -3.145 0.000 4.479) 5.473 2.455 ( 6.374 -0.000 -2.407) 6.813 2.570 ( 8.860 -0.000 -4.613) 9.989 2.572 ( 7.364 -0.000 -0.248) 7.369 2.738 ( -3.175 0.000 -1.946) 3.724 2.864 ( -4.436 0.000 5.235) 6.861 2.927 ( 1.145 -0.000 -5.176) 5.301 2.939 ( 10.129 -0.000 -0.797) 10.161 2.988 ( -5.423 0.000 2.017) 5.786 3.142 ( -0.336 0.000 3.916) 3.930 3.279 ( 3.498 -0.000 0.308) 3.512 3.364 ( 2.542 -0.000 -0.346) 2.565 3.414 ( 1.429 -0.000 -5.748) 5.923 3.579 ( -1.341 0.000 -5.719) 5.874 3.598 ( 0.041 -0.000 -3.097) 3.098 3.679 ( 2.899 -0.000 3.994) 4.936 3.713 ( 0.747 -0.000 -0.485) 0.890 3.907 ( 6.904 -0.000 -5.105) 8.587 3.950 ( 6.210 -0.000 -0.038) 6.210 4.087 ( 5.281 -0.000 -0.380) 5.294 4.147 ( 0.916 -0.000 1.190) 1.502 4.160 ( -2.537 0.000 3.308) 4.169 4.256 ( -0.598 0.000 0.874) 1.059 4.297 ( 4.374 -0.000 2.110) 4.857 4.406 ( 8.095 -0.000 2.874) 8.590 4.489 ( -0.487 0.000 2.274) 2.326 4.586 ( 0.085 -0.000 -4.666) 4.667 4.664 ( -2.775 0.000 -0.386) 2.802 4.796 ( -2.340 0.000 1.544) 2.804 4.804 ( -2.031 0.000 4.067) 4.546 4.895 ( 3.166 -0.000 -0.269) 3.177 4.896 ( 0.420 -0.000 -2.033) 2.076 4.981 ( -4.176 0.000 -3.547) 5.479 5.103 ( -1.510 0.000 -1.726) 2.293 5.108 ( 2.702 -0.000 -0.719) 2.796 5.191 ( -3.936 0.000 -8.145) 9.046 5.316 ( 1.502 -0.000 0.578) 1.610 5.475 ( -5.803 0.000 -2.090) 6.168 5.485 ( -2.758 0.000 4.130) 4.966 5.540 ( -3.555 0.000 -1.142) 3.734 5.647 ( -3.390 0.000 7.617) 8.338 5.672 ( 4.176 -0.000 -0.708) 4.236 5.808 ( 0.186 -0.000 2.035) 2.044 5.834 ( 1.099 -0.000 0.098) 1.104 5.922 ( 2.093 -0.000 -6.426) 6.758 5.957 ( -4.432 0.000 -4.392) 6.239 6.048 ( 7.514 -0.000 4.869) 8.953 6.138 ( -3.975 0.000 2.293) 4.589 6.234 ( -2.330 0.000 -0.455) 2.375 6.294 ( -1.717 0.000 -1.086) 2.031 6.478 ( -0.956 0.000 3.783) 3.902 6.655 ( -4.356 0.000 12.823) 13.542 6.702 ( -1.622 0.000 3.896) 4.221 6.780 ( 0.336 -0.000 -5.742) 5.752 6.939 ( -0.163 0.000 -1.634) 1.642 7.033 ( -2.938 0.000 -1.326) 3.224 7.142 ( -2.530 0.000 1.778) 3.093 7.275 ( -3.160 0.000 -4.936) 5.861 7.360 ( 2.630 -0.000 0.570) 2.691 7.380 ( 0.313 -0.000 -0.970) 1.019 7.601 ( -2.402 0.000 3.348) 4.121 7.744 ( -0.969 0.000 -1.742) 1.993 7.788 ( 1.399 -0.000 -0.721) 1.574 7.811 ( 0.176 -0.000 -2.041) 2.048 7.877 ( 0.084 -0.000 -8.313) 8.314 7.927 ( -1.831 0.000 1.302) 2.247 8.100 ( -2.725 0.000 11.143) 11.471 8.132 ( -2.990 0.000 -0.750) 3.083 8.246 ( 8.450 -0.000 -1.626) 8.605 8.349 ( -1.162 0.000 -1.127) 1.619 8.407 ( -1.214 0.000 -0.528) 1.324 8.504 ( -4.030 0.000 5.293) 6.653 8.546 ( -5.833 0.000 -3.261) 6.682 8.614 ( -2.236 0.000 0.890) 2.406 8.969 ( 0.407 -0.000 -0.333) 0.526 9.085 ( 5.658 -0.000 1.889) 5.965 9.190 ( -1.349 0.000 -4.351) 4.555 9.290 ( -1.183 0.000 -1.680) 2.055 9.465 ( 3.137 -0.000 -2.427) 3.966 9.595 ( -0.282 0.000 -0.170) 0.329 9.696 ( -4.438 0.000 1.860) 4.812 9.895 ( -0.510 0.000 0.079) 0.516 9.904 ( 0.107 -0.000 -3.168) 3.170 9.973 ( -1.613 0.000 2.749) 3.187 10.110 ( -4.387 0.000 0.725) 4.446 10.164 ( 1.019 -0.000 0.974) 1.410 10.284 ( -1.147 0.000 -0.984) 1.511 10.426 ( -3.466 0.000 3.878) 5.202 10.441 ( -2.662 0.000 1.590) 3.101 10.537 ( -0.756 0.000 0.483) 0.897 10.790 ( 6.163 -0.000 3.969) 7.330 10.792 ( -0.213 0.000 -3.849) 3.855 10.862 ( 0.944 -0.000 -2.519) 2.690 10.889 ( -1.892 0.000 3.005) 3.551 11.160 ( 3.805 -0.000 -3.049) 4.876 11.199 ( 0.189 -0.000 0.873) 0.893 11.225 ( -6.479 0.000 0.631) 6.510 11.248 ( 1.933 -0.000 -1.651) 2.542 11.390 ( -0.708 0.000 2.893) 2.978 11.507 ( 1.915 -0.000 -2.952) 3.519 11.594 ( 2.502 -0.000 -1.919) 3.153 11.709 ( 2.310 -0.000 -0.162) 2.316 11.914 ( 0.998 -0.000 0.773) 1.263 12.130 ( 4.830 -0.000 -2.784) 5.575 12.188 ( -3.885 0.000 3.423) 5.178 12.778 ( 0.915 -0.000 -1.402) 1.674 12.819 ( -0.225 0.000 3.702) 3.709 13.406 ( -0.136 0.000 0.325) 0.353 13.537 ( 0.686 -0.000 0.129) 0.698 14.699 ( 3.841 -0.000 -0.263) 3.850 15.094 ( 9.540 -0.000 0.833) 9.576 15.122 ( 1.409 -0.000 -0.989) 1.722 15.467 ( -13.352 0.000 -2.536) 13.591 15.531 ( 0.641 -0.000 0.829) 1.048 ======================= Grid point 100 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.106 8.396 -4.762) 11.421 1.604 ( 8.117 -0.822 -5.278) 9.717 1.741 ( 0.593 -3.413 0.774) 3.550 1.908 ( -4.108 0.804 6.074) 7.376 2.037 ( -5.108 -0.237 4.643) 6.907 2.067 ( -3.343 -0.562 5.121) 6.141 2.199 ( 2.910 -0.644 5.227) 6.017 2.408 ( 4.128 7.517 -1.946) 8.794 2.578 ( -0.064 7.124 0.698) 7.159 2.639 ( 4.315 4.365 -2.240) 6.533 2.700 ( 4.089 -2.250 -0.364) 4.681 2.814 ( -2.858 0.405 1.958) 3.488 2.892 ( 0.028 3.556 0.032) 3.556 2.986 ( -1.431 -5.462 -2.153) 6.043 3.110 ( 2.579 -6.750 1.666) 7.415 3.158 ( -3.008 0.496 2.454) 3.914 3.278 ( 2.620 5.811 -2.649) 6.903 3.317 ( 0.966 0.078 -0.230) 0.996 3.410 ( 2.043 0.125 -3.088) 3.705 3.520 ( 1.639 -0.276 -3.784) 4.133 3.563 ( -1.952 1.201 -4.677) 5.208 3.687 ( 2.255 -4.283 -0.986) 4.939 3.866 ( 3.356 -5.309 1.633) 6.490 3.911 ( 4.940 0.229 -1.124) 5.071 4.015 ( 0.450 -2.242 -1.547) 2.761 4.093 ( 0.650 2.829 -0.002) 2.903 4.159 ( 1.446 -0.840 -0.648) 1.794 4.243 ( 0.842 -8.867 0.518) 8.922 4.297 ( -0.076 -2.436 5.554) 6.065 4.359 ( 5.165 -1.885 0.077) 5.499 4.446 ( -2.639 -1.894 -0.039) 3.249 4.540 ( 3.176 -5.444 -0.557) 6.327 4.570 ( 0.174 0.711 -0.629) 0.965 4.678 ( -0.551 -1.947 1.990) 2.838 4.721 ( -4.046 2.780 -0.437) 4.928 4.795 ( -2.270 2.719 3.112) 4.715 4.889 ( 0.196 -1.321 -2.461) 2.800 4.963 ( 1.365 -0.508 0.085) 1.459 5.024 ( 4.836 -2.374 0.258) 5.393 5.049 ( -0.257 -3.338 1.813) 3.807 5.132 ( -1.075 -1.557 -4.430) 4.817 5.182 ( 2.427 -1.822 -1.326) 3.312 5.323 ( 2.647 1.920 2.398) 4.055 5.409 ( -5.457 0.507 -2.147) 5.886 5.465 ( -1.357 3.357 0.154) 3.624 5.494 ( -4.427 -1.773 2.773) 5.517 5.595 ( 0.737 7.242 -2.271) 7.626 5.688 ( 0.897 2.318 2.290) 3.380 5.748 ( -1.896 0.924 1.489) 2.581 5.801 ( -2.341 1.666 -0.103) 2.876 5.943 ( 1.148 1.185 -3.729) 4.078 5.974 ( -0.954 2.613 3.467) 4.445 6.081 ( -0.315 -3.627 -6.250) 7.233 6.210 ( 3.606 -6.999 -2.760) 8.344 6.222 ( -0.644 -3.948 -1.504) 4.274 6.299 ( -1.910 -4.234 1.817) 4.987 6.523 ( -0.841 -1.950 5.516) 5.911 6.641 ( -2.397 3.523 7.102) 8.282 6.737 ( -0.486 2.490 -0.948) 2.708 6.753 ( -1.780 -0.942 4.786) 5.193 6.954 ( -1.316 -0.346 -2.379) 2.741 6.972 ( -2.579 -0.940 2.565) 3.756 7.127 ( -1.158 0.269 0.300) 1.226 7.266 ( 1.722 -1.803 -6.732) 7.178 7.315 ( 0.329 2.410 -1.994) 3.145 7.409 ( 0.821 -0.972 0.651) 1.430 7.611 ( -4.254 -2.025 4.905) 6.801 7.734 ( 1.262 -0.199 -0.876) 1.549 7.774 ( 0.874 0.615 -2.567) 2.780 7.800 ( -1.476 -0.382 -1.431) 2.091 7.856 ( 1.162 -2.266 -2.766) 3.760 7.935 ( -3.802 -0.455 -1.550) 4.131 8.080 ( 0.745 -0.753 2.435) 2.655 8.198 ( -2.123 -4.374 0.213) 4.867 8.288 ( 5.867 2.826 -1.071) 6.600 8.337 ( 1.552 1.556 -0.335) 2.223 8.387 ( -1.209 -0.237 -1.792) 2.175 8.453 ( -3.935 2.755 -2.421) 5.379 8.508 ( -2.910 0.417 6.393) 7.037 8.579 ( -2.360 1.822 3.481) 4.583 8.962 ( -0.239 0.095 -2.550) 2.563 9.100 ( -0.120 2.844 -2.813) 4.002 9.135 ( 3.082 3.680 -0.635) 4.842 9.296 ( -0.141 -1.643 -1.819) 2.455 9.454 ( 3.522 2.248 -0.624) 4.225 9.646 ( -1.909 -3.338 1.957) 4.314 9.686 ( -1.264 -3.392 -1.068) 3.774 9.862 ( 0.752 1.183 -1.047) 1.750 9.921 ( 0.316 -0.762 1.345) 1.578 9.994 ( -1.403 -0.767 3.051) 3.445 10.091 ( -2.614 -1.271 1.744) 3.390 10.168 ( 1.615 0.119 -0.497) 1.694 10.323 ( 0.578 -4.558 0.674) 4.643 10.369 ( -4.363 3.731 4.083) 7.045 10.445 ( -0.902 -0.288 0.924) 1.323 10.574 ( -0.669 -3.224 1.250) 3.522 10.741 ( -0.089 2.314 -2.462) 3.380 10.834 ( -0.716 -0.253 -1.036) 1.284 10.884 ( 5.081 -0.717 3.170) 6.031 10.930 ( -1.365 -2.949 1.022) 3.407 11.137 ( 2.985 3.424 -3.231) 5.574 11.154 ( -2.627 2.809 0.707) 3.910 11.214 ( -1.300 -1.069 0.787) 1.858 11.262 ( 0.678 -0.669 0.400) 1.033 11.419 ( -0.622 -1.255 2.308) 2.700 11.517 ( 2.478 -1.005 -2.042) 3.364 11.606 ( 1.774 -0.804 -2.390) 3.083 11.718 ( 1.467 0.785 -0.351) 1.700 11.918 ( -0.014 0.605 0.345) 0.697 12.108 ( 3.137 4.624 -3.070) 6.375 12.164 ( -3.414 1.344 2.659) 4.531 12.770 ( 1.145 0.653 -0.811) 1.547 12.850 ( -3.008 -2.863 1.467) 4.404 13.381 ( 0.005 3.198 0.276) 3.210 13.536 ( 0.255 0.633 -0.177) 0.705 14.700 ( 2.820 3.507 0.903) 4.590 15.106 ( 3.112 1.882 -1.014) 3.776 15.209 ( 5.433 -3.642 -0.551) 6.564 15.278 ( -8.535 5.832 -4.061) 11.106 15.584 ( -1.660 -4.029 1.163) 4.511 ======================= Grid point 101 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.317 16.748 -4.396) 17.365 1.634 ( 4.611 1.595 -3.590) 6.057 1.838 ( -0.574 -1.083 6.435) 6.551 1.877 ( -4.984 -3.055 -0.617) 5.878 1.973 ( -1.705 5.845 2.913) 6.749 2.118 ( -6.891 -6.079 4.370) 10.175 2.252 ( 8.223 3.578 -2.293) 9.257 2.335 ( -0.539 0.865 2.544) 2.741 2.416 ( -4.129 8.905 2.349) 10.093 2.508 ( -2.667 9.780 -1.088) 10.195 2.784 ( 0.572 3.013 4.725) 5.633 2.791 ( 3.146 -0.365 -2.066) 3.782 2.848 ( 0.385 2.056 2.508) 3.265 3.033 ( -1.906 0.722 -2.171) 2.978 3.069 ( -2.390 2.383 -1.750) 3.802 3.193 ( -0.497 -1.532 1.872) 2.470 3.211 ( -1.772 3.156 -0.560) 3.662 3.333 ( -1.737 -5.361 -3.880) 6.842 3.441 ( 5.604 -1.857 -3.672) 6.953 3.550 ( -2.833 -5.772 -1.908) 6.707 3.607 ( 5.743 -6.604 -2.121) 9.005 3.750 ( -0.022 -0.843 -1.166) 1.439 3.835 ( 2.227 5.694 0.562) 6.140 3.970 ( -3.838 2.142 0.310) 4.407 4.074 ( 1.280 -8.394 0.162) 8.493 4.094 ( 2.729 -2.039 1.685) 3.800 4.199 ( 1.711 -2.772 0.942) 3.391 4.350 ( -1.152 -0.805 2.452) 2.827 4.375 ( 0.250 -5.690 -2.218) 6.112 4.442 ( 4.268 -3.441 -1.195) 5.611 4.493 ( -5.320 -4.683 0.380) 7.098 4.539 ( -2.062 -0.076 2.578) 3.303 4.629 ( 1.535 -2.459 -1.411) 3.224 4.697 ( 1.626 -2.866 -0.795) 3.390 4.738 ( 2.812 4.429 1.678) 5.508 4.780 ( 0.329 -5.079 2.412) 5.633 4.878 ( -1.973 -2.596 -2.076) 3.865 4.993 ( 4.437 0.241 0.303) 4.454 5.011 ( -0.291 0.926 -1.471) 1.762 5.118 ( 2.605 3.597 1.664) 4.743 5.159 ( 3.366 -1.406 -5.032) 6.215 5.228 ( -5.351 -3.457 5.290) 8.281 5.315 ( -3.455 -1.502 -4.194) 5.637 5.399 ( 2.169 -1.291 1.047) 2.733 5.429 ( 6.560 3.332 1.802) 7.575 5.487 ( -2.072 -3.224 0.842) 3.924 5.548 ( -0.707 0.506 0.139) 0.880 5.603 ( -0.500 4.630 0.813) 4.727 5.726 ( -2.573 0.223 -2.730) 3.758 5.766 ( -2.380 5.959 -3.015) 7.090 5.857 ( -2.218 -1.024 3.076) 3.928 5.994 ( 0.086 -1.954 5.903) 6.219 6.116 ( 0.627 -4.124 -5.897) 7.223 6.183 ( 0.167 2.760 -3.884) 4.768 6.314 ( 2.035 -0.114 -0.875) 2.218 6.414 ( -1.151 -6.516 -3.529) 7.499 6.527 ( 1.473 4.224 3.823) 5.885 6.633 ( -1.713 7.042 -1.690) 7.442 6.688 ( 4.103 -3.348 4.001) 6.637 6.750 ( -5.332 -0.650 2.814) 6.064 6.905 ( -3.474 -0.780 -0.610) 3.613 7.044 ( 0.832 -0.939 -0.054) 1.256 7.176 ( 0.186 -4.359 4.858) 6.529 7.205 ( 0.875 0.409 1.157) 1.507 7.364 ( 1.652 -5.655 -4.093) 7.173 7.437 ( 2.320 -1.748 -2.035) 3.547 7.646 ( -6.332 -2.210 6.284) 9.191 7.729 ( 0.564 -0.171 -1.946) 2.033 7.764 ( -1.918 -0.508 -0.719) 2.110 7.829 ( -0.216 -3.759 -2.133) 4.328 7.849 ( -1.719 -0.545 -0.102) 1.806 7.940 ( 1.028 -3.517 0.224) 3.671 8.096 ( 1.564 4.585 -0.041) 4.845 8.233 ( 3.468 -4.756 -6.011) 8.413 8.266 ( 0.129 2.027 3.439) 3.994 8.329 ( -1.278 2.166 0.794) 2.638 8.351 ( -2.601 1.581 -0.507) 3.085 8.374 ( 3.653 3.435 -2.748) 5.718 8.538 ( -0.013 0.778 7.192) 7.234 8.601 ( -0.889 -4.335 2.614) 5.139 8.926 ( -0.791 1.307 -4.757) 4.996 8.992 ( -1.383 4.929 -5.814) 7.747 9.120 ( 3.610 2.782 1.635) 4.842 9.276 ( -0.577 1.779 -3.232) 3.734 9.459 ( 2.193 1.800 3.609) 4.591 9.650 ( -1.994 -1.601 -3.048) 3.978 9.768 ( -0.033 -5.151 0.417) 5.168 9.876 ( 1.638 -1.896 -0.641) 2.586 9.950 ( 0.729 -0.739 3.580) 3.727 9.979 ( -1.292 2.567 2.300) 3.681 10.162 ( 0.055 -4.377 0.536) 4.410 10.170 ( 1.198 -1.014 0.776) 1.751 10.300 ( -2.921 3.498 4.736) 6.573 10.424 ( 0.911 -5.579 -0.123) 5.654 10.442 ( -0.771 0.075 0.559) 0.955 10.609 ( -1.061 -1.443 -0.195) 1.802 10.714 ( 0.381 -0.389 -1.319) 1.427 10.819 ( -0.773 0.617 -0.219) 1.013 10.940 ( -5.036 -1.613 1.656) 5.541 10.958 ( 3.069 -0.392 1.902) 3.631 11.086 ( 1.525 3.040 -0.435) 3.429 11.117 ( 3.537 2.598 -0.652) 4.436 11.228 ( -0.998 -1.312 1.376) 2.147 11.286 ( -0.132 -1.054 3.200) 3.371 11.436 ( -0.215 -0.877 -1.008) 1.353 11.555 ( 3.297 -1.265 -0.143) 3.534 11.617 ( 1.298 -0.878 -3.314) 3.666 11.707 ( 0.185 0.949 -0.388) 1.042 11.896 ( -1.058 1.648 -0.562) 2.038 12.015 ( 1.703 6.927 -2.548) 7.575 12.122 ( -2.628 2.071 1.583) 3.702 12.753 ( -2.208 1.277 0.562) 2.612 12.881 ( -2.304 -3.787 -0.309) 4.444 13.318 ( 0.136 4.268 -0.431) 4.292 13.520 ( 0.096 1.385 -0.203) 1.403 14.650 ( 0.675 5.811 1.567) 6.057 15.086 ( 0.591 2.428 -0.979) 2.684 15.116 ( -3.392 3.771 -4.174) 6.568 15.308 ( 4.374 -4.367 -1.966) 6.486 15.634 ( -1.789 -3.079 1.928) 4.049 ======================= Grid point 102 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -3.375 19.663 -7.668) 21.374 1.582 ( -0.811 3.828 -1.577) 4.219 1.776 ( -4.969 6.907 7.114) 11.091 1.836 ( -7.173 4.513 -0.292) 8.479 1.957 ( -0.235 -2.007 2.890) 3.526 2.162 ( -7.683 -5.057 2.502) 9.533 2.218 ( 2.079 5.543 -5.195) 7.876 2.284 ( -1.550 3.853 4.308) 5.984 2.348 ( -1.017 5.762 1.380) 6.012 2.408 ( 3.511 -2.052 1.501) 4.335 2.718 ( 0.292 3.861 3.120) 4.973 2.777 ( 0.528 5.302 -2.385) 5.838 2.884 ( 4.858 -0.679 1.811) 5.229 2.955 ( -1.863 2.386 2.345) 3.829 3.013 ( -1.023 2.262 -4.055) 4.755 3.160 ( -0.055 0.834 0.156) 0.850 3.221 ( -1.949 -1.402 1.926) 3.078 3.393 ( -4.428 -7.693 -3.827) 9.666 3.485 ( 5.035 -0.565 -3.648) 6.243 3.614 ( -3.200 -2.074 -3.224) 4.994 3.681 ( -2.104 1.831 -0.637) 2.861 3.750 ( 7.258 -3.159 -0.453) 7.928 3.792 ( -0.854 0.894 2.980) 3.227 3.960 ( -1.681 -2.893 1.656) 3.733 4.123 ( -0.924 -3.939 -1.190) 4.217 4.238 ( 6.906 -1.452 1.311) 7.178 4.259 ( 0.048 -1.258 1.356) 1.850 4.330 ( 0.165 3.314 0.726) 3.396 4.408 ( -0.224 -0.079 -0.267) 0.357 4.457 ( -3.580 -0.171 -1.616) 3.932 4.482 ( -2.936 -1.630 -0.504) 3.396 4.593 ( -0.137 -2.222 -0.263) 2.242 4.627 ( 0.256 6.034 -0.342) 6.049 4.682 ( 3.800 -1.383 -0.715) 4.107 4.788 ( -4.476 -3.574 -0.117) 5.729 4.828 ( -0.675 -2.534 0.729) 2.722 4.934 ( 2.621 -3.128 -0.259) 4.089 4.957 ( 0.329 3.845 -1.115) 4.017 5.075 ( 3.731 -1.587 0.967) 4.168 5.122 ( 3.913 -0.237 4.485) 5.956 5.166 ( -0.553 -0.361 -4.774) 4.819 5.202 ( -3.511 -1.654 3.331) 5.115 5.334 ( -0.609 -6.148 -1.734) 6.417 5.433 ( 2.342 2.413 -5.030) 6.051 5.457 ( -0.148 -3.728 -1.432) 3.996 5.512 ( 2.819 1.536 0.434) 3.240 5.540 ( 3.053 -1.034 -0.958) 3.363 5.596 ( -2.320 -0.638 0.420) 2.442 5.662 ( 1.244 0.470 -2.063) 2.455 5.766 ( 1.270 -5.737 0.421) 5.891 5.874 ( -0.776 2.409 5.193) 5.777 5.992 ( -4.675 2.613 0.372) 5.369 6.104 ( -1.616 1.674 -4.262) 4.855 6.203 ( 0.405 -4.215 3.819) 5.702 6.284 ( 1.217 3.113 -1.534) 3.678 6.381 ( -0.031 2.413 -3.186) 3.996 6.478 ( 0.592 8.029 -0.927) 8.104 6.536 ( -3.459 -1.178 1.438) 3.927 6.717 ( -2.773 1.433 1.305) 3.383 6.794 ( 7.152 -1.512 -2.655) 7.777 6.932 ( -3.913 -5.486 0.632) 6.768 7.054 ( 0.660 -0.243 2.467) 2.565 7.136 ( 0.079 2.218 0.041) 2.219 7.416 ( -0.598 -9.113 -0.119) 9.133 7.425 ( 0.833 -5.071 3.640) 6.298 7.466 ( 4.349 -0.043 -3.033) 5.302 7.589 ( -3.886 5.107 2.302) 6.818 7.756 ( -2.123 -1.562 -0.430) 2.671 7.772 ( -2.841 -4.120 3.196) 5.938 7.854 ( 0.668 -3.118 0.567) 3.239 7.898 ( -0.160 -1.709 0.990) 1.982 7.989 ( -0.502 -0.588 -2.004) 2.148 8.068 ( 1.605 -2.784 1.457) 3.529 8.236 ( -3.493 1.982 1.825) 4.412 8.272 ( -1.035 2.844 1.752) 3.497 8.299 ( 2.122 1.806 -2.445) 3.707 8.339 ( 3.637 -2.351 -1.447) 4.566 8.391 ( 6.677 -2.812 0.265) 7.249 8.561 ( 0.737 1.676 4.689) 5.034 8.688 ( 0.066 -5.082 -2.397) 5.619 8.845 ( 1.630 5.336 -5.761) 8.020 8.884 ( -2.881 0.470 -3.327) 4.426 9.127 ( 1.833 1.029 1.079) 2.363 9.210 ( -1.323 2.222 -3.515) 4.363 9.481 ( 1.992 1.325 6.579) 7.001 9.621 ( -2.216 0.406 -4.381) 4.926 9.832 ( -0.235 -2.661 -0.269) 2.685 9.903 ( 0.763 0.161 -1.027) 1.290 9.957 ( 0.675 -0.065 1.413) 1.567 10.004 ( 0.495 -1.618 3.655) 4.027 10.131 ( -1.573 1.683 0.510) 2.360 10.255 ( -1.721 1.718 3.285) 4.087 10.314 ( 1.337 -7.520 1.186) 7.729 10.428 ( 0.289 1.085 0.548) 1.249 10.489 ( -0.214 -1.069 -0.682) 1.286 10.617 ( -0.344 -1.981 -1.762) 2.673 10.729 ( 1.271 -1.034 -1.859) 2.478 10.794 ( -1.577 1.441 0.543) 2.204 10.907 ( -5.906 -0.103 2.173) 6.294 10.990 ( 1.455 0.601 1.338) 2.066 11.075 ( 0.977 0.143 1.152) 1.518 11.117 ( 3.548 0.933 -1.135) 3.840 11.258 ( 0.186 -1.283 2.609) 2.913 11.340 ( 1.956 -1.251 4.440) 5.011 11.433 ( 0.303 -0.326 -1.943) 1.994 11.599 ( 3.311 0.179 -3.960) 5.165 11.611 ( 2.377 0.179 -0.552) 2.447 11.697 ( -1.706 -0.923 0.108) 1.943 11.829 ( -1.289 4.236 -2.548) 5.108 11.922 ( 0.767 4.261 -0.902) 4.423 12.079 ( -1.668 1.590 0.971) 2.500 12.702 ( -6.114 1.546 2.999) 6.984 12.919 ( -0.599 -2.748 -1.058) 3.005 13.260 ( 0.834 2.388 -1.759) 3.081 13.495 ( -0.203 1.536 0.102) 1.553 14.553 ( -2.195 6.220 1.293) 6.721 15.025 ( -1.956 1.448 -0.956) 2.615 15.064 ( 1.971 1.867 -1.975) 3.358 15.392 ( 3.974 -3.639 -4.188) 6.824 15.678 ( -1.907 -2.623 3.219) 4.569 ======================= Grid point 103 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 3.509 13.260 -9.500) 16.685 1.530 ( -2.041 0.441 1.760) 2.731 1.614 ( -3.762 12.037 7.740) 14.797 1.754 ( -5.583 -1.849 -0.359) 5.892 1.981 ( -3.409 2.536 3.441) 5.467 2.090 ( 1.774 2.762 -5.816) 6.678 2.202 ( -5.428 -6.779 -0.876) 8.728 2.269 ( -0.999 2.092 2.599) 3.483 2.296 ( -1.832 3.541 5.081) 6.458 2.432 ( 6.709 3.702 -0.549) 7.683 2.683 ( 4.237 5.776 3.224) 7.856 2.736 ( -0.731 -1.972 -1.866) 2.811 2.910 ( -0.683 -1.149 -0.480) 1.420 2.962 ( 0.416 -0.249 1.349) 1.433 2.986 ( 2.420 0.848 3.629) 4.443 3.188 ( 4.572 -1.754 -0.801) 4.962 3.220 ( -2.880 -0.317 0.238) 2.908 3.404 ( -3.366 -0.261 -2.785) 4.376 3.487 ( -2.680 4.198 -2.874) 5.750 3.543 ( 1.551 -2.359 0.501) 2.867 3.685 ( -0.162 0.525 -0.293) 0.623 3.756 ( 3.969 5.519 3.352) 7.580 3.875 ( 0.731 -4.923 -0.913) 5.061 4.018 ( -3.055 -4.517 1.985) 5.803 4.133 ( 0.734 4.137 -1.409) 4.431 4.200 ( 1.932 5.925 -5.158) 8.090 4.273 ( 5.623 6.303 -1.013) 8.507 4.284 ( 3.993 1.299 -1.248) 4.381 4.388 ( -1.117 3.740 -2.572) 4.675 4.394 ( -1.789 0.595 -1.986) 2.738 4.454 ( -0.577 1.931 -1.441) 2.478 4.551 ( -0.771 0.708 -0.371) 1.111 4.627 ( -1.819 -0.663 3.359) 3.877 4.730 ( -0.924 0.529 2.148) 2.398 4.788 ( -0.888 -3.438 -0.158) 3.554 4.849 ( -3.345 -1.831 -0.905) 3.920 4.895 ( 2.295 3.457 -2.694) 4.948 4.980 ( -0.855 -2.467 -0.207) 2.619 5.103 ( -0.750 -0.787 1.106) 1.551 5.130 ( -2.614 0.059 -2.315) 3.492 5.179 ( 1.804 -0.209 5.846) 6.121 5.319 ( 4.655 -5.751 2.583) 7.837 5.390 ( -2.933 -2.906 -4.510) 6.114 5.465 ( 4.211 -4.200 1.937) 6.255 5.491 ( 0.678 0.283 -5.602) 5.650 5.506 ( 0.012 -4.903 -2.546) 5.525 5.571 ( -0.990 1.957 0.456) 2.240 5.581 ( 5.766 1.615 0.411) 6.002 5.702 ( 0.165 -3.614 -2.240) 4.255 5.810 ( -0.732 3.764 1.298) 4.049 5.873 ( 3.762 -0.309 1.599) 4.100 5.898 ( -4.039 2.559 0.331) 4.793 6.042 ( -3.157 1.345 -0.532) 3.472 6.166 ( 0.733 4.085 -4.396) 6.045 6.319 ( -0.523 -2.476 -1.969) 3.207 6.337 ( 0.624 3.916 1.082) 4.111 6.423 ( -1.433 -3.934 5.748) 7.112 6.567 ( -3.611 -3.754 4.986) 7.210 6.684 ( -1.201 0.640 0.479) 1.443 6.841 ( 6.110 0.467 -4.319) 7.497 6.955 ( -2.514 -1.772 -3.775) 4.870 7.067 ( 1.328 2.567 1.980) 3.504 7.135 ( -1.891 -2.477 0.861) 3.234 7.413 ( -1.232 -1.011 -4.409) 4.689 7.480 ( -0.690 2.478 0.316) 2.591 7.525 ( -0.317 -2.685 1.636) 3.160 7.591 ( 1.530 -3.612 6.012) 7.179 7.745 ( -1.756 0.815 -0.351) 1.967 7.803 ( -3.797 -0.724 2.524) 4.616 7.904 ( -0.651 0.245 3.220) 3.295 7.949 ( 2.161 -0.014 4.141) 4.671 7.962 ( -0.801 -3.494 -4.130) 5.468 8.131 ( 1.547 2.808 2.225) 3.902 8.168 ( -4.578 2.258 -2.313) 5.604 8.231 ( 1.173 0.650 0.481) 1.425 8.284 ( -1.764 -1.597 0.674) 2.474 8.448 ( 5.039 -6.643 -3.069) 8.885 8.505 ( 0.972 -0.748 -0.228) 1.247 8.564 ( 4.401 -0.222 4.391) 6.221 8.704 ( 0.030 -1.918 -5.804) 6.113 8.748 ( 1.636 3.534 -3.763) 5.415 8.913 ( -1.573 -5.371 0.820) 5.657 9.126 ( 0.372 0.263 0.198) 0.497 9.156 ( -1.008 0.499 -2.402) 2.653 9.534 ( -0.280 1.280 3.085) 3.352 9.546 ( -0.057 1.265 -0.179) 1.279 9.824 ( 0.399 1.801 -1.666) 2.486 9.921 ( 0.791 -1.996 -1.155) 2.438 9.976 ( -0.245 -0.717 0.544) 0.933 10.033 ( -0.922 0.489 2.260) 2.489 10.103 ( -1.914 0.602 1.261) 2.370 10.249 ( -0.407 -0.501 2.071) 2.169 10.401 ( 1.352 0.329 0.907) 1.660 10.451 ( -1.994 -4.513 -0.870) 5.010 10.465 ( 0.208 2.492 1.178) 2.765 10.643 ( 0.700 -2.265 -0.849) 2.519 10.725 ( 2.361 1.385 -4.701) 5.440 10.760 ( -3.758 0.711 2.753) 4.713 10.880 ( -1.809 0.095 0.102) 1.814 10.983 ( -0.384 2.235 2.419) 3.316 11.090 ( -0.188 -0.434 0.640) 0.796 11.146 ( 0.295 -2.760 -0.002) 2.775 11.293 ( 0.586 -0.310 2.428) 2.517 11.367 ( 2.576 0.960 -2.429) 3.668 11.464 ( 1.478 -1.479 1.916) 2.837 11.572 ( 2.649 0.603 -3.389) 4.344 11.639 ( 4.335 1.609 -1.614) 4.897 11.686 ( -3.600 1.483 -0.258) 3.902 11.758 ( 0.867 -0.496 -2.454) 2.649 11.871 ( -0.355 2.180 -0.577) 2.283 12.066 ( -0.299 -0.270 1.573) 1.624 12.650 ( -6.792 0.949 6.416) 9.391 12.938 ( 0.239 -0.534 -0.537) 0.795 13.242 ( 1.700 -0.473 -2.815) 3.322 13.476 ( -0.557 0.476 0.532) 0.906 14.456 ( -2.049 3.757 0.540) 4.313 14.981 ( 1.747 3.812 -0.131) 4.195 15.079 ( 0.128 -3.499 0.324) 3.516 15.429 ( 3.284 -0.789 -6.260) 7.113 15.722 ( -2.868 -2.495 4.099) 5.591 ======================= Grid point 109 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 1.997 -0.000 -6.164) 6.479 1.666 ( -2.841 0.000 -5.250) 5.969 1.684 ( 8.380 -0.000 2.203) 8.664 1.900 ( -15.003 0.000 -1.187) 15.050 1.928 ( -5.158 0.000 10.309) 11.527 2.122 ( 1.391 -0.000 3.489) 3.756 2.247 ( -1.079 0.000 9.585) 9.645 2.519 ( 2.546 -0.000 -1.764) 3.097 2.653 ( -2.575 0.000 -2.135) 3.345 2.685 ( 6.575 -0.000 -5.709) 8.707 2.722 ( 8.105 -0.000 0.304) 8.110 2.831 ( -6.323 0.000 5.275) 8.235 2.858 ( -2.810 0.000 -1.352) 3.118 2.951 ( -2.612 0.000 3.280) 4.193 3.068 ( 3.794 -0.000 1.406) 4.046 3.112 ( -10.237 0.000 4.413) 11.148 3.334 ( -0.071 0.000 -7.547) 7.548 3.354 ( -1.582 0.000 -3.396) 3.747 3.364 ( 9.109 -0.000 -3.633) 9.807 3.516 ( 3.603 -0.000 -6.400) 7.345 3.588 ( 0.733 -0.000 -0.106) 0.741 3.687 ( -0.719 0.000 -2.795) 2.886 3.762 ( 1.291 -0.000 4.124) 4.322 3.964 ( 4.360 -0.000 -1.978) 4.788 3.989 ( -1.304 0.000 -1.695) 2.138 4.132 ( -0.203 0.000 -3.920) 3.925 4.163 ( -2.354 0.000 3.929) 4.580 4.164 ( 0.626 -0.000 2.075) 2.168 4.294 ( 0.115 -0.000 3.156) 3.158 4.355 ( -1.424 0.000 -1.790) 2.288 4.426 ( 1.389 -0.000 1.876) 2.334 4.438 ( -3.480 0.000 -2.132) 4.082 4.645 ( -4.898 0.000 0.016) 4.898 4.678 ( 8.950 -0.000 2.000) 9.171 4.708 ( -1.926 0.000 -1.171) 2.254 4.820 ( -0.162 0.000 8.237) 8.239 4.928 ( 2.031 -0.000 0.542) 2.102 4.954 ( 2.062 -0.000 1.123) 2.348 5.009 ( 0.062 -0.000 0.327) 0.333 5.072 ( 3.411 -0.000 -5.159) 6.184 5.081 ( 1.833 -0.000 2.906) 3.436 5.219 ( 7.296 -0.000 0.177) 7.298 5.321 ( -6.718 0.000 -4.458) 8.062 5.397 ( 1.412 -0.000 3.793) 4.047 5.445 ( -3.625 0.000 -0.132) 3.628 5.519 ( 3.997 -0.000 1.035) 4.129 5.668 ( -3.461 0.000 5.161) 6.214 5.685 ( 3.085 -0.000 -6.878) 7.538 5.806 ( -0.817 0.000 -0.109) 0.824 5.814 ( -5.034 0.000 0.082) 5.035 5.873 ( 1.986 -0.000 -5.378) 5.733 5.890 ( -0.288 0.000 -3.172) 3.185 6.127 ( 0.710 -0.000 2.469) 2.569 6.155 ( -1.836 0.000 -2.601) 3.183 6.175 ( -4.792 0.000 -4.302) 6.440 6.237 ( 3.172 -0.000 7.068) 7.747 6.514 ( -1.599 0.000 5.116) 5.360 6.710 ( -3.072 0.000 3.528) 4.678 6.747 ( -3.623 0.000 9.012) 9.713 6.770 ( 2.930 -0.000 -0.954) 3.082 6.938 ( 1.706 -0.000 -0.688) 1.839 6.961 ( -3.524 0.000 1.432) 3.804 7.118 ( -0.741 0.000 -1.127) 1.349 7.186 ( 2.404 -0.000 -7.675) 8.043 7.370 ( 0.208 -0.000 -1.449) 1.464 7.397 ( 0.902 -0.000 -0.704) 1.144 7.585 ( -4.186 0.000 4.366) 6.048 7.737 ( 0.821 -0.000 -0.287) 0.869 7.774 ( 0.648 -0.000 -3.690) 3.746 7.782 ( 1.944 -0.000 -4.663) 5.052 7.812 ( -0.450 0.000 -2.531) 2.571 7.911 ( -1.623 0.000 0.745) 1.786 8.054 ( 0.803 -0.000 -5.611) 5.668 8.170 ( -2.504 0.000 7.738) 8.133 8.343 ( 1.554 -0.000 -0.097) 1.557 8.351 ( 1.010 -0.000 -1.040) 1.449 8.369 ( 0.006 -0.000 -1.933) 1.933 8.431 ( -3.165 0.000 -1.305) 3.424 8.555 ( 2.192 -0.000 7.247) 7.571 8.604 ( -0.348 0.000 1.419) 1.461 8.934 ( -0.701 0.000 -4.496) 4.550 9.068 ( -3.296 0.000 -5.641) 6.533 9.239 ( 4.942 -0.000 3.395) 5.996 9.251 ( 0.310 -0.000 -3.006) 3.022 9.506 ( 2.947 -0.000 -0.501) 2.989 9.601 ( 0.428 -0.000 0.766) 0.877 9.654 ( -1.462 0.000 0.283) 1.489 9.883 ( -0.715 0.000 0.023) 0.715 9.918 ( 1.569 -0.000 2.489) 2.942 10.010 ( -0.013 0.000 4.876) 4.876 10.070 ( -2.145 0.000 1.375) 2.548 10.197 ( 2.283 -0.000 2.042) 3.063 10.258 ( 0.319 -0.000 -1.833) 1.860 10.416 ( -1.484 0.000 0.445) 1.549 10.466 ( -0.441 0.000 6.307) 6.322 10.541 ( 0.048 -0.000 1.276) 1.277 10.755 ( 0.825 -0.000 -4.039) 4.122 10.797 ( -1.906 0.000 -2.064) 2.810 10.899 ( -0.619 0.000 2.489) 2.565 10.934 ( 0.521 -0.000 2.418) 2.473 11.165 ( 0.716 -0.000 -2.454) 2.557 11.173 ( 0.745 -0.000 1.434) 1.616 11.196 ( -0.931 0.000 -0.455) 1.036 11.261 ( 1.028 -0.000 0.744) 1.269 11.441 ( 0.036 -0.000 5.121) 5.122 11.508 ( 2.697 -0.000 -3.238) 4.214 11.594 ( 0.854 -0.000 -2.978) 3.098 11.732 ( 0.643 -0.000 -0.351) 0.732 11.921 ( -0.971 0.000 0.491) 1.088 12.147 ( 1.704 -0.000 -3.849) 4.210 12.160 ( -3.502 0.000 2.767) 4.463 12.774 ( 0.823 -0.000 -1.623) 1.819 12.807 ( -3.409 0.000 0.625) 3.466 13.410 ( -0.066 0.000 0.551) 0.555 13.539 ( -0.243 0.000 -0.290) 0.379 14.754 ( 1.389 -0.000 1.608) 2.125 15.125 ( 0.459 -0.000 -1.286) 1.365 15.203 ( -6.379 0.000 -2.555) 6.872 15.254 ( 4.709 -0.000 -3.978) 6.164 15.550 ( -0.189 0.000 1.324) 1.338 ======================= Grid point 110 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -10.072 7.638 -5.987) 13.987 1.656 ( 3.774 0.483 -3.759) 5.348 1.725 ( -16.184 -3.729 0.514) 16.616 1.870 ( 5.935 -3.417 3.015) 7.482 1.949 ( -4.450 -1.528 8.336) 9.572 2.122 ( 0.283 3.093 2.634) 4.073 2.288 ( -4.549 -1.178 7.127) 8.536 2.418 ( -1.369 8.972 -3.780) 9.831 2.509 ( -4.390 6.677 -3.958) 8.917 2.641 ( -4.724 6.072 2.880) 8.215 2.785 ( 4.251 1.065 -5.447) 6.991 2.844 ( 2.001 -3.575 1.556) 4.382 2.899 ( -3.766 -5.009 1.999) 6.578 2.925 ( -1.309 2.691 4.654) 5.534 3.056 ( -7.635 -0.715 2.248) 7.991 3.140 ( -1.605 -3.485 2.593) 4.631 3.246 ( -0.194 3.292 -4.781) 5.808 3.308 ( 1.248 2.624 -7.813) 8.336 3.432 ( 2.782 -0.303 -0.494) 2.842 3.492 ( 2.047 1.960 -3.695) 4.657 3.546 ( 4.598 -3.716 -3.017) 6.637 3.727 ( 1.940 -2.889 0.929) 3.602 3.904 ( 0.101 -5.414 -0.015) 5.415 3.958 ( -0.651 -0.257 -0.505) 0.863 3.979 ( -0.774 -0.134 0.624) 1.003 4.056 ( -3.998 -1.598 -2.114) 4.796 4.185 ( -0.639 -2.297 2.620) 3.543 4.238 ( -0.187 -4.782 0.623) 4.826 4.341 ( -2.031 -3.515 2.608) 4.825 4.364 ( -0.512 -2.230 -0.132) 2.292 4.422 ( -3.912 -2.673 -1.627) 5.010 4.466 ( 1.650 -1.392 2.764) 3.507 4.620 ( -2.053 -4.888 -4.854) 7.188 4.707 ( 1.585 1.101 0.994) 2.171 4.745 ( 4.700 -0.229 2.601) 5.376 4.872 ( 0.563 1.252 8.062) 8.178 4.894 ( 4.513 6.381 -0.889) 7.866 4.995 ( -0.589 -0.606 1.349) 1.592 5.020 ( 1.184 -2.525 -1.312) 3.082 5.085 ( 6.234 -2.030 -5.705) 8.691 5.169 ( 0.172 -3.839 4.719) 6.086 5.229 ( -5.355 0.752 -4.390) 6.965 5.258 ( 4.026 3.153 -1.320) 5.281 5.421 ( 0.077 0.265 2.559) 2.574 5.434 ( 0.313 -1.263 0.083) 1.304 5.536 ( 2.306 2.563 2.776) 4.426 5.607 ( 3.684 5.196 1.011) 6.449 5.686 ( -1.675 0.328 -1.937) 2.582 5.717 ( -1.926 -2.097 0.878) 2.979 5.761 ( -0.855 7.389 -0.147) 7.440 5.857 ( -1.474 2.828 -5.512) 6.368 5.983 ( 1.198 -8.049 -3.920) 9.033 6.090 ( 0.975 2.174 4.264) 4.885 6.146 ( -4.248 -2.946 -2.646) 5.807 6.194 ( 1.317 -6.834 -1.640) 7.150 6.332 ( 1.154 -2.301 0.217) 2.583 6.596 ( -0.519 -5.383 5.988) 8.069 6.666 ( -3.959 2.216 5.637) 7.236 6.722 ( 0.802 4.780 -2.240) 5.339 6.753 ( -1.540 3.547 0.942) 3.980 6.924 ( 0.672 2.704 0.296) 2.802 7.009 ( 0.166 -4.640 4.823) 6.695 7.114 ( -1.749 -2.679 3.342) 4.627 7.234 ( 5.456 -6.710 -8.651) 12.232 7.304 ( 1.191 5.171 -1.795) 5.601 7.422 ( 0.004 -1.579 -0.090) 1.581 7.594 ( -3.856 -1.927 4.595) 6.301 7.739 ( 0.200 1.873 -2.585) 3.198 7.745 ( 0.307 0.094 -0.553) 0.640 7.777 ( 0.973 -2.339 -1.934) 3.187 7.819 ( -1.259 -0.710 -1.659) 2.200 7.902 ( 0.183 -1.973 -1.064) 2.249 8.098 ( 4.194 -5.801 -5.072) 8.773 8.188 ( -1.262 1.888 3.139) 3.874 8.314 ( -1.153 1.851 -0.151) 2.186 8.331 ( -2.471 1.142 -0.305) 2.740 8.354 ( -1.371 1.996 0.052) 2.422 8.412 ( 2.063 -0.395 -1.069) 2.357 8.602 ( -0.192 1.160 3.797) 3.975 8.625 ( 6.550 1.018 5.011) 8.310 8.901 ( -0.934 -0.041 -4.552) 4.647 8.987 ( -3.103 1.496 -6.789) 7.613 9.220 ( 2.548 2.483 -0.517) 3.595 9.276 ( 1.288 2.216 -0.621) 2.637 9.504 ( 2.055 0.821 0.231) 2.225 9.627 ( -0.588 0.898 -0.069) 1.075 9.682 ( 0.518 -5.255 0.150) 5.282 9.874 ( 0.166 -0.099 0.921) 0.941 9.963 ( 0.919 -0.833 3.388) 3.608 10.025 ( -0.033 2.064 2.817) 3.493 10.097 ( 0.539 -3.931 2.923) 4.928 10.210 ( 3.006 1.832 -0.446) 3.549 10.313 ( 0.324 -3.331 1.956) 3.876 10.389 ( -0.146 1.071 1.655) 1.977 10.463 ( 0.205 1.895 2.528) 3.166 10.584 ( -0.303 -1.687 1.059) 2.014 10.715 ( 0.031 1.036 -2.677) 2.871 10.792 ( -1.925 -2.308 -1.545) 3.380 10.890 ( -4.327 0.907 1.946) 4.830 10.968 ( 1.180 -2.307 1.560) 3.024 11.134 ( 0.461 1.899 -3.457) 3.971 11.165 ( 0.613 1.504 -0.588) 1.727 11.215 ( 1.015 -0.818 3.362) 3.606 11.296 ( 1.324 -1.375 3.038) 3.588 11.446 ( 0.870 1.776 1.423) 2.436 11.547 ( 3.014 -2.657 -1.085) 4.162 11.584 ( 0.175 -0.838 -3.763) 3.859 11.723 ( -0.390 0.982 -0.270) 1.091 11.904 ( -1.850 1.049 0.387) 2.162 12.094 ( 0.046 4.201 -3.908) 5.738 12.137 ( -3.069 1.343 2.310) 4.069 12.758 ( -2.431 1.505 0.375) 2.884 12.805 ( -1.127 -3.048 -0.911) 3.375 13.383 ( -0.243 3.516 0.366) 3.543 13.533 ( -0.281 0.323 -0.229) 0.486 14.739 ( -0.715 4.085 1.924) 4.571 15.075 ( -6.816 2.564 -2.179) 7.602 15.135 ( 1.128 0.284 -2.036) 2.345 15.295 ( 6.484 -1.226 -4.151) 7.796 15.582 ( -1.064 -2.982 1.527) 3.515 ======================= Grid point 111 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -10.844 13.100 -3.394) 17.342 1.606 ( -2.269 4.037 -3.190) 5.623 1.631 ( -17.187 -5.531 -3.119) 18.323 1.919 ( -3.762 4.196 8.061) 9.835 2.017 ( 1.598 2.485 5.476) 6.222 2.077 ( -3.674 0.213 0.742) 3.754 2.274 ( -1.777 2.671 -3.030) 4.413 2.299 ( -5.219 -1.904 -0.432) 5.572 2.376 ( -1.766 3.076 2.545) 4.366 2.524 ( -0.337 6.945 4.958) 8.540 2.727 ( -1.239 1.660 -4.564) 5.012 2.889 ( 0.891 5.218 1.810) 5.594 2.898 ( -3.998 -3.133 -3.099) 5.951 2.945 ( -1.350 -1.132 2.046) 2.700 3.026 ( -0.982 0.975 3.417) 3.686 3.163 ( -2.811 -0.606 0.285) 2.890 3.194 ( 0.678 0.150 0.143) 0.709 3.257 ( 0.997 -1.164 -3.370) 3.702 3.448 ( -0.752 -5.265 -6.031) 8.041 3.525 ( 4.250 -1.605 -2.471) 5.171 3.659 ( 2.207 -6.119 -2.769) 7.070 3.723 ( -2.340 4.027 2.149) 5.130 3.919 ( 0.837 4.529 3.292) 5.662 3.923 ( -0.130 -2.835 1.279) 3.113 4.010 ( -2.659 -4.956 -0.986) 5.710 4.177 ( -1.729 -9.310 3.721) 10.174 4.252 ( -1.459 -6.952 -1.148) 7.196 4.290 ( 1.822 -1.803 -2.598) 3.649 4.364 ( -3.763 -2.056 -1.327) 4.488 4.390 ( -1.357 -1.569 0.496) 2.133 4.439 ( -0.911 -2.052 1.840) 2.903 4.542 ( -1.394 -5.477 3.648) 6.727 4.686 ( 0.944 1.814 0.981) 2.268 4.711 ( -1.530 -6.398 -8.856) 11.032 4.768 ( 1.780 2.555 1.516) 3.463 4.812 ( 5.787 4.973 -0.371) 7.639 4.904 ( 1.061 1.312 4.829) 5.115 4.977 ( -0.955 0.734 -2.468) 2.746 5.087 ( 2.020 -1.530 1.245) 2.823 5.128 ( -1.003 0.705 -6.723) 6.834 5.174 ( 3.607 -2.159 2.157) 4.725 5.216 ( 1.250 0.748 -1.563) 2.137 5.259 ( 1.721 -3.573 4.546) 6.033 5.407 ( -2.693 1.133 0.009) 2.922 5.456 ( 0.225 0.552 -2.140) 2.222 5.529 ( -0.580 0.926 0.040) 1.093 5.583 ( 3.378 1.878 0.924) 3.974 5.651 ( 1.299 5.513 2.369) 6.139 5.689 ( 2.355 2.365 -3.737) 5.011 5.730 ( 5.496 -2.376 1.587) 6.195 5.859 ( -2.330 -4.112 3.785) 6.055 6.041 ( 2.468 -0.842 -1.820) 3.180 6.057 ( -4.958 2.592 -0.732) 5.642 6.167 ( -1.495 -3.801 2.667) 4.878 6.292 ( 1.060 -3.567 -3.339) 5.000 6.333 ( -1.953 0.278 -3.301) 3.846 6.576 ( -1.647 6.176 2.396) 6.826 6.604 ( -0.801 7.989 -1.737) 8.215 6.666 ( -1.196 -2.946 -2.762) 4.212 6.809 ( 2.715 -5.041 5.107) 7.673 6.886 ( 1.581 2.465 -0.446) 2.962 7.052 ( -0.620 -1.270 1.300) 1.920 7.218 ( 2.648 5.367 -1.355) 6.136 7.286 ( 1.296 -7.357 2.489) 7.874 7.365 ( 2.403 -8.696 4.793) 10.216 7.457 ( 3.320 -3.081 -3.660) 5.823 7.615 ( -4.888 -0.373 5.607) 7.447 7.710 ( -1.492 -0.549 -0.466) 1.657 7.742 ( 1.702 0.031 1.280) 2.129 7.811 ( 0.153 -2.607 -1.152) 2.854 7.840 ( -0.119 -3.953 -0.823) 4.039 7.950 ( -1.247 -3.417 -1.370) 3.887 8.102 ( 0.600 5.857 -0.909) 5.958 8.199 ( 2.258 -6.178 -5.718) 8.716 8.253 ( -4.245 2.463 -0.223) 4.913 8.323 ( -0.696 0.259 -0.132) 0.755 8.358 ( 2.505 -1.069 5.503) 6.140 8.421 ( 2.874 0.108 -2.114) 3.569 8.611 ( 0.496 0.875 2.067) 2.298 8.690 ( 6.599 1.856 2.228) 7.208 8.844 ( -2.962 2.091 -2.711) 4.527 8.909 ( 1.160 1.689 -5.873) 6.220 9.195 ( 1.575 2.641 -1.002) 3.234 9.211 ( 0.306 4.195 -1.967) 4.643 9.533 ( 1.145 -1.013 3.210) 3.555 9.593 ( -0.911 1.612 -2.160) 2.845 9.765 ( -0.593 -4.637 0.214) 4.680 9.898 ( 0.560 -1.109 0.185) 1.256 9.994 ( -0.059 -0.051 1.414) 1.416 10.005 ( 1.250 1.703 2.528) 3.295 10.167 ( 0.320 2.415 -0.105) 2.438 10.229 ( 2.239 -4.946 2.621) 6.029 10.300 ( -2.232 2.274 3.349) 4.623 10.438 ( -0.194 0.616 -0.180) 0.671 10.479 ( 3.939 -2.609 1.452) 4.943 10.583 ( -0.308 -0.588 -1.603) 1.735 10.714 ( 0.140 -1.465 0.020) 1.471 10.800 ( -0.946 0.784 -0.529) 1.338 10.851 ( -6.046 -1.836 2.440) 6.774 11.009 ( 0.873 -0.163 0.267) 0.928 11.088 ( -0.486 0.914 -2.567) 2.768 11.142 ( 0.506 1.138 -1.208) 1.735 11.264 ( 1.525 -0.975 3.629) 4.055 11.366 ( 2.751 -2.035 4.094) 5.336 11.433 ( 1.321 1.003 -1.118) 2.001 11.576 ( 0.010 -1.268 -4.348) 4.529 11.609 ( 3.626 -2.184 -1.625) 4.534 11.694 ( -1.568 1.386 0.538) 2.161 11.855 ( -2.539 2.749 -0.623) 3.793 11.989 ( -0.793 5.082 -2.789) 5.851 12.097 ( -2.351 1.872 1.548) 3.380 12.705 ( -4.754 2.316 4.064) 6.669 12.854 ( 0.371 -3.988 -1.436) 4.255 13.315 ( 0.021 4.330 -0.197) 4.335 13.519 ( 0.020 1.253 -0.024) 1.254 14.632 ( -4.761 6.962 1.136) 8.510 14.990 ( -4.184 -0.106 -1.209) 4.357 15.126 ( 3.173 2.681 -1.305) 4.354 15.357 ( 5.918 -3.090 -4.692) 8.160 15.633 ( -1.672 -3.346 2.456) 4.475 ======================= Grid point 112 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -3.141 14.894 -0.130) 15.222 1.484 ( -5.310 2.005 -4.152) 7.032 1.586 ( -15.435 -8.391 -0.206) 17.569 1.785 ( -5.786 9.256 4.348) 11.750 2.002 ( 0.866 1.347 2.809) 3.233 2.080 ( -3.363 -3.303 1.386) 4.913 2.161 ( 0.942 7.244 -5.301) 9.026 2.296 ( -3.471 -1.155 4.620) 5.893 2.367 ( -2.435 3.432 4.888) 6.449 2.518 ( 3.986 0.052 1.413) 4.229 2.680 ( -2.435 -1.122 -2.994) 4.019 2.810 ( -1.730 5.658 3.341) 6.795 2.876 ( -0.572 -0.652 -2.264) 2.425 2.935 ( -4.017 -1.943 -0.446) 4.484 3.051 ( 2.229 0.318 2.475) 3.346 3.164 ( -1.031 -1.376 0.568) 1.811 3.224 ( 3.564 -0.550 0.601) 3.656 3.314 ( 0.519 -5.069 -1.335) 5.267 3.443 ( -1.693 -0.529 -6.634) 6.867 3.571 ( 0.814 -1.670 -0.257) 1.876 3.660 ( -0.754 -0.046 0.485) 0.897 3.749 ( -2.256 -5.364 1.070) 5.917 3.894 ( 3.332 2.800 0.983) 4.462 3.992 ( 1.183 -1.698 3.940) 4.451 4.071 ( -2.674 -5.607 -0.660) 6.247 4.239 ( -0.251 0.543 -4.492) 4.532 4.300 ( 1.071 -2.783 -1.359) 3.277 4.343 ( -2.367 -2.400 -3.686) 4.995 4.378 ( -0.114 0.685 1.037) 1.248 4.411 ( -1.172 -7.136 -0.599) 7.256 4.460 ( 0.812 2.616 4.309) 5.106 4.541 ( -1.286 7.883 -5.776) 9.857 4.638 ( -7.347 -5.789 0.778) 9.386 4.683 ( 0.975 3.416 6.373) 7.296 4.778 ( 4.239 0.325 -4.882) 6.473 4.872 ( 4.098 -0.171 -0.134) 4.104 4.923 ( -1.566 -1.538 -0.690) 2.301 4.939 ( 1.413 0.305 -2.290) 2.708 5.033 ( -2.911 0.876 -1.558) 3.416 5.116 ( -0.360 1.429 0.707) 1.634 5.214 ( 0.835 -1.822 -0.707) 2.125 5.318 ( 4.725 -2.563 5.760) 7.879 5.332 ( -1.753 -1.361 0.067) 2.221 5.405 ( 1.527 -4.862 -0.395) 5.111 5.450 ( 2.939 -2.285 -5.699) 6.807 5.503 ( 3.399 1.542 1.023) 3.870 5.621 ( 1.205 0.616 0.600) 1.480 5.631 ( 3.455 1.544 2.907) 4.772 5.670 ( 2.106 -0.026 -1.611) 2.652 5.816 ( 2.898 -2.118 0.042) 3.590 5.895 ( -2.034 1.483 1.169) 2.776 5.957 ( -4.891 2.173 0.134) 5.354 6.054 ( 2.967 2.235 1.491) 4.002 6.207 ( -4.214 0.884 1.549) 4.576 6.266 ( -0.391 -1.254 -2.387) 2.725 6.330 ( 1.490 -0.737 -2.781) 3.240 6.449 ( -1.319 5.274 -1.755) 5.713 6.527 ( -5.240 -0.274 6.290) 8.191 6.687 ( 1.158 0.003 -2.737) 2.972 6.859 ( 5.234 -0.277 -3.680) 6.404 6.926 ( 1.395 -0.798 1.623) 2.283 7.093 ( -2.408 -2.392 5.191) 6.202 7.150 ( 1.388 4.345 0.212) 4.566 7.335 ( 1.105 -2.771 -6.467) 7.122 7.479 ( 2.300 -1.205 -2.157) 3.376 7.543 ( -0.598 0.260 4.229) 4.279 7.619 ( 0.060 -0.208 7.719) 7.722 7.719 ( -1.848 -2.628 0.903) 3.337 7.787 ( 1.499 0.316 1.140) 1.909 7.859 ( -0.204 -4.470 -1.636) 4.765 7.906 ( -3.007 -2.587 -1.200) 4.144 7.951 ( 2.261 -2.512 3.010) 4.526 8.088 ( -2.807 -3.748 0.015) 4.683 8.166 ( -3.256 1.512 -0.248) 3.599 8.277 ( 2.777 -0.475 -1.261) 3.087 8.320 ( -0.921 5.081 1.574) 5.398 8.349 ( 1.610 -4.143 -4.178) 6.100 8.522 ( 5.404 -3.551 -0.081) 6.467 8.589 ( 0.015 0.968 -3.698) 3.823 8.670 ( 1.226 3.906 1.139) 4.249 8.817 ( 1.186 -0.232 -1.845) 2.205 8.872 ( 2.862 1.546 0.140) 3.256 9.143 ( -0.644 1.370 -2.702) 3.098 9.171 ( 1.740 2.832 0.696) 3.396 9.528 ( -3.123 2.260 -3.548) 5.239 9.589 ( 1.423 -1.079 5.559) 5.839 9.811 ( -1.076 -1.937 -0.945) 2.409 9.899 ( 0.605 0.185 -1.769) 1.878 9.991 ( -0.010 1.064 2.246) 2.486 10.025 ( 0.137 -1.167 -0.235) 1.198 10.115 ( -1.819 2.109 1.456) 3.143 10.269 ( -1.016 2.126 1.976) 3.075 10.344 ( 0.819 -5.579 -0.241) 5.644 10.424 ( -0.027 0.008 0.101) 0.105 10.529 ( 2.456 1.214 3.958) 4.814 10.620 ( 2.677 -2.246 -0.754) 3.575 10.733 ( 1.635 0.841 -3.005) 3.523 10.752 ( -3.992 0.170 2.501) 4.714 10.860 ( -1.754 -0.690 0.375) 1.922 10.997 ( -2.720 -0.106 0.364) 2.746 11.082 ( 0.439 -0.738 0.459) 0.974 11.124 ( -0.142 0.285 -1.600) 1.632 11.307 ( 0.785 -0.444 2.444) 2.605 11.390 ( 2.755 1.494 -4.021) 5.098 11.457 ( -0.319 -1.435 0.994) 1.775 11.571 ( 1.629 -0.591 -2.981) 3.448 11.646 ( -1.724 -1.603 -0.957) 2.541 11.678 ( 2.911 0.326 -1.838) 3.458 11.774 ( -1.714 3.396 -0.917) 3.913 11.904 ( -0.896 3.121 -1.005) 3.399 12.068 ( -1.330 0.435 1.279) 1.896 12.669 ( -4.539 1.801 8.922) 10.171 12.908 ( 0.649 -2.986 -0.937) 3.196 13.264 ( 1.844 2.374 -1.107) 3.204 13.494 ( -0.232 1.721 0.429) 1.789 14.490 ( -5.022 4.654 -0.102) 6.848 14.985 ( -1.840 -2.384 0.213) 3.019 15.094 ( 2.192 3.049 -0.444) 3.782 15.418 ( 5.953 -1.204 -5.295) 8.058 15.684 ( -2.125 -2.664 3.428) 4.834 ======================= Grid point 118 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -16.992 0.000 -7.446) 18.552 1.497 ( -24.052 0.000 -1.133) 24.079 1.708 ( 7.521 -0.000 -1.531) 7.675 1.909 ( 6.373 -0.000 1.106) 6.468 1.980 ( -4.495 0.000 11.516) 12.362 2.152 ( -1.918 0.000 1.298) 2.316 2.268 ( -10.410 0.000 8.062) 13.167 2.404 ( -19.484 0.000 -7.421) 20.850 2.482 ( -2.376 0.000 -5.327) 5.833 2.579 ( -3.748 0.000 0.486) 3.779 2.784 ( -6.872 0.000 7.062) 9.853 2.861 ( 8.165 -0.000 -3.155) 8.753 2.923 ( 4.060 -0.000 -0.053) 4.061 2.968 ( -0.951 0.000 4.450) 4.550 2.982 ( -7.984 0.000 4.951) 9.395 3.136 ( 1.612 -0.000 2.742) 3.181 3.223 ( 0.557 -0.000 -10.288) 10.303 3.255 ( -2.506 0.000 -4.808) 5.422 3.470 ( 4.599 -0.000 -2.080) 5.047 3.516 ( 3.695 -0.000 -5.913) 6.972 3.609 ( -1.126 0.000 3.142) 3.338 3.656 ( 0.934 -0.000 -1.761) 1.994 3.806 ( -0.199 0.000 -1.146) 1.163 3.951 ( -1.341 0.000 -0.301) 1.374 3.982 ( 0.030 -0.000 -2.826) 2.826 3.997 ( -3.648 0.000 0.452) 3.675 4.161 ( -2.945 0.000 4.309) 5.219 4.224 ( -2.187 0.000 2.075) 3.015 4.299 ( -0.712 0.000 2.727) 2.819 4.370 ( -1.955 0.000 -0.657) 2.063 4.382 ( 1.950 -0.000 3.053) 3.623 4.485 ( -2.460 0.000 2.288) 3.360 4.525 ( 1.392 -0.000 -4.243) 4.466 4.730 ( 1.335 -0.000 0.321) 1.373 4.786 ( 1.053 -0.000 3.184) 3.354 4.940 ( -2.722 0.000 -0.961) 2.886 4.949 ( 0.683 -0.000 3.022) 3.098 4.995 ( 3.939 -0.000 -1.869) 4.360 5.010 ( 1.500 -0.000 3.753) 4.042 5.087 ( 7.113 -0.000 -11.390) 13.428 5.169 ( 0.737 -0.000 2.844) 2.938 5.221 ( 1.990 -0.000 4.252) 4.694 5.301 ( 1.561 -0.000 0.146) 1.568 5.375 ( -3.134 0.000 -3.942) 5.036 5.502 ( 6.274 -0.000 2.464) 6.741 5.597 ( 1.452 -0.000 -0.915) 1.716 5.638 ( -3.800 0.000 -0.224) 3.806 5.713 ( -0.944 0.000 -3.377) 3.506 5.724 ( 7.340 -0.000 1.293) 7.453 5.784 ( -2.330 0.000 1.033) 2.549 5.830 ( -3.702 0.000 0.295) 3.714 5.854 ( 2.521 -0.000 -5.382) 5.943 6.062 ( -2.317 0.000 -1.613) 2.823 6.107 ( -0.567 0.000 -1.711) 1.802 6.206 ( 1.726 -0.000 1.515) 2.297 6.346 ( 0.015 -0.000 5.504) 5.504 6.554 ( -0.773 0.000 6.571) 6.617 6.685 ( -3.682 0.000 3.606) 5.153 6.761 ( -0.756 0.000 2.744) 2.846 6.796 ( 1.388 -0.000 -1.615) 2.130 6.969 ( 2.235 -0.000 -0.717) 2.347 6.992 ( -0.757 0.000 7.836) 7.873 7.095 ( -1.733 0.000 1.470) 2.272 7.158 ( 5.962 -0.000 -10.135) 11.759 7.352 ( -0.208 0.000 -1.446) 1.461 7.405 ( 1.636 -0.000 0.292) 1.662 7.578 ( -2.304 0.000 3.555) 4.236 7.737 ( -0.300 0.000 -1.284) 1.318 7.746 ( 0.179 -0.000 -1.888) 1.896 7.774 ( -1.536 0.000 -0.870) 1.766 7.776 ( 3.158 -0.000 -3.761) 4.911 7.876 ( 0.820 -0.000 -2.986) 3.096 8.065 ( 3.888 -0.000 -2.772) 4.774 8.215 ( -0.718 0.000 4.603) 4.658 8.281 ( -4.733 0.000 -0.709) 4.786 8.350 ( -0.219 0.000 -0.227) 0.316 8.387 ( 2.968 -0.000 -0.440) 3.000 8.407 ( -0.486 0.000 1.261) 1.351 8.650 ( 2.877 -0.000 2.819) 4.028 8.711 ( 5.729 -0.000 2.384) 6.205 8.854 ( -0.633 0.000 -5.102) 5.141 8.923 ( -4.634 0.000 -5.287) 7.031 9.231 ( 1.648 -0.000 -2.966) 3.393 9.334 ( 2.698 -0.000 0.746) 2.799 9.533 ( 0.236 -0.000 0.137) 0.273 9.621 ( 0.596 -0.000 0.526) 0.795 9.658 ( 2.278 -0.000 -1.201) 2.576 9.874 ( -0.602 0.000 0.459) 0.757 9.994 ( 1.385 -0.000 4.029) 4.260 10.068 ( 0.305 -0.000 1.777) 1.803 10.089 ( 2.009 -0.000 4.932) 5.326 10.245 ( 0.991 -0.000 -2.794) 2.965 10.327 ( 8.131 -0.000 3.280) 8.768 10.406 ( 0.053 -0.000 0.678) 0.680 10.515 ( -2.345 0.000 4.720) 5.270 10.571 ( 0.803 -0.000 2.224) 2.365 10.692 ( -1.462 0.000 -6.102) 6.275 10.726 ( -4.066 0.000 -0.467) 4.093 10.917 ( -2.886 0.000 1.139) 3.103 10.928 ( 0.488 -0.000 1.309) 1.397 11.112 ( -1.896 0.000 -4.269) 4.671 11.166 ( -0.987 0.000 -0.646) 1.180 11.264 ( 4.330 -0.000 2.544) 5.022 11.308 ( 0.134 -0.000 4.305) 4.307 11.500 ( 0.386 -0.000 1.982) 2.019 11.524 ( 4.191 -0.000 -3.987) 5.784 11.557 ( 0.358 -0.000 -2.381) 2.407 11.722 ( -1.332 0.000 -0.118) 1.337 11.899 ( -2.692 0.000 1.216) 2.954 12.093 ( -1.658 0.000 -4.695) 4.979 12.137 ( -3.047 0.000 2.866) 4.183 12.756 ( -3.541 0.000 3.064) 4.682 12.768 ( 0.774 -0.000 -1.539) 1.722 13.416 ( -0.017 0.000 0.508) 0.508 13.525 ( -1.005 0.000 -0.048) 1.006 14.783 ( -0.547 0.000 1.835) 1.915 15.043 ( -7.059 0.000 1.209) 7.162 15.109 ( -0.412 0.000 -1.159) 1.230 15.311 ( 6.807 -0.000 -8.174) 10.638 15.555 ( -1.032 0.000 1.198) 1.582 ======================= Grid point 119 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -18.685 2.144 -4.444) 19.325 1.319 ( -24.592 -6.305 -1.897) 25.458 1.691 ( 1.520 6.976 -2.837) 7.683 1.969 ( -10.568 -6.169 0.840) 12.265 1.997 ( -4.252 -1.027 6.193) 7.582 2.124 ( -1.610 2.182 0.311) 2.730 2.136 ( -11.373 2.549 1.469) 11.747 2.290 ( -6.283 0.762 6.799) 9.289 2.393 ( -4.019 1.609 -3.656) 5.667 2.572 ( -4.359 -1.658 0.766) 4.727 2.721 ( -6.643 5.006 4.471) 9.443 2.840 ( 3.600 2.430 -3.607) 5.646 2.951 ( 1.551 0.163 -1.259) 2.004 2.967 ( -2.659 2.185 3.309) 4.775 3.005 ( -2.750 -2.694 2.993) 4.876 3.164 ( 2.641 0.776 0.675) 2.834 3.193 ( 2.605 -1.319 -4.875) 5.683 3.233 ( 0.204 -3.123 -3.523) 4.712 3.420 ( -0.904 6.652 -0.051) 6.713 3.524 ( 2.524 -1.931 -3.036) 4.395 3.573 ( 2.160 -3.207 -3.480) 5.202 3.760 ( -1.891 -1.167 2.152) 3.094 3.813 ( -2.615 -4.450 -3.555) 6.268 3.956 ( -1.146 -1.549 -0.302) 1.950 3.964 ( -2.923 -5.645 -0.939) 6.425 4.027 ( 0.448 -1.434 3.697) 3.991 4.146 ( -3.789 -1.309 1.879) 4.427 4.237 ( -3.811 -2.988 0.080) 4.843 4.325 ( 2.020 -0.685 0.091) 2.135 4.388 ( 0.562 -2.762 0.240) 2.828 4.410 ( -0.620 -0.899 1.845) 2.144 4.481 ( -4.323 -3.544 0.955) 5.671 4.573 ( 5.092 -2.155 0.109) 5.530 4.718 ( -0.452 1.742 -0.187) 1.810 4.819 ( -0.826 -0.215 2.027) 2.199 4.911 ( -2.188 -1.291 3.105) 4.012 4.948 ( -0.669 1.235 -5.156) 5.343 4.957 ( 2.744 3.436 -5.024) 6.676 5.065 ( 3.625 -0.812 1.835) 4.143 5.123 ( 6.889 -2.148 -6.335) 9.602 5.183 ( -1.863 -2.379 1.992) 3.619 5.244 ( 1.378 5.593 -1.353) 5.917 5.291 ( 3.498 0.898 5.118) 6.264 5.360 ( -0.948 -1.787 -1.285) 2.396 5.506 ( 1.949 3.330 1.992) 4.342 5.570 ( 0.903 2.081 1.048) 2.499 5.632 ( -2.323 1.209 -1.851) 3.207 5.672 ( 2.433 -1.107 0.275) 2.687 5.752 ( -0.912 3.166 0.053) 3.295 5.800 ( 6.295 2.102 -3.602) 7.551 5.826 ( 0.882 -2.745 7.049) 7.616 5.929 ( -1.298 -6.963 -6.576) 9.665 6.069 ( -1.443 -2.877 0.093) 3.221 6.083 ( 0.480 0.112 -1.908) 1.970 6.258 ( 0.261 -4.083 1.460) 4.344 6.331 ( -0.242 3.080 1.875) 3.614 6.607 ( -2.392 -1.347 2.050) 3.426 6.666 ( -3.541 4.266 6.399) 8.467 6.718 ( 3.679 7.898 -7.044) 11.204 6.798 ( 2.713 -3.214 6.843) 8.033 6.954 ( 1.751 3.095 -0.008) 3.556 7.043 ( 0.688 0.134 -0.898) 1.139 7.207 ( 1.493 -7.644 5.705) 9.655 7.222 ( 3.860 -12.483 -0.696) 13.085 7.313 ( 1.124 3.020 -0.222) 3.230 7.435 ( 1.882 -0.800 -0.372) 2.078 7.594 ( -2.318 -1.136 4.751) 5.407 7.711 ( -0.703 1.587 -0.711) 1.875 7.740 ( 0.062 -1.120 -2.304) 2.563 7.764 ( -1.090 -2.578 -0.703) 2.886 7.816 ( 0.991 -2.302 -1.412) 2.877 7.873 ( 2.238 -0.164 -2.157) 3.112 8.102 ( 1.431 -3.896 -3.881) 5.682 8.205 ( -0.705 4.663 -0.246) 4.722 8.235 ( -2.445 0.917 -1.997) 3.288 8.335 ( 2.065 1.658 0.024) 2.648 8.380 ( 1.222 -0.478 4.215) 4.415 8.442 ( 0.565 -0.051 1.574) 1.673 8.662 ( 2.341 2.148 1.507) 3.517 8.781 ( 5.594 -0.459 -0.162) 5.615 8.836 ( -2.891 1.927 -2.655) 4.372 8.857 ( 0.092 -2.608 -3.757) 4.575 9.213 ( 1.365 2.099 -3.139) 4.015 9.318 ( 1.999 4.606 -0.068) 5.021 9.523 ( 0.202 -0.653 -0.576) 0.894 9.627 ( 0.601 2.684 -0.621) 2.820 9.691 ( 0.396 -3.987 -0.319) 4.019 9.882 ( -0.203 -1.138 0.503) 1.261 10.014 ( 1.180 1.052 1.073) 1.911 10.071 ( 1.454 2.128 3.439) 4.297 10.172 ( 2.778 -2.679 2.304) 4.495 10.229 ( 1.336 0.318 -2.349) 2.721 10.354 ( -1.043 4.629 3.253) 5.753 10.452 ( 3.463 -0.824 0.906) 3.674 10.509 ( 2.879 0.771 3.557) 4.640 10.564 ( -0.588 0.383 -3.470) 3.541 10.673 ( -2.270 -2.566 0.261) 3.436 10.742 ( -2.839 -5.517 1.358) 6.351 10.841 ( -2.795 3.787 0.655) 4.752 10.993 ( 0.740 -3.106 -0.787) 3.288 11.056 ( -2.772 0.309 -4.747) 5.506 11.152 ( -0.419 0.707 -0.399) 0.914 11.302 ( 2.591 0.544 3.036) 4.028 11.358 ( -0.162 -2.659 2.368) 3.565 11.474 ( 2.003 2.284 -2.088) 3.686 11.534 ( 1.205 -0.612 -3.487) 3.740 11.596 ( 3.267 -2.210 -0.748) 4.014 11.699 ( -2.264 0.880 0.280) 2.446 11.867 ( -3.300 1.688 1.102) 3.867 12.018 ( -2.625 2.927 -3.994) 5.604 12.116 ( -2.788 1.636 2.712) 4.219 12.742 ( -2.886 2.065 7.421) 8.226 12.792 ( 0.839 -3.047 -1.424) 3.466 13.381 ( -0.317 3.906 0.336) 3.933 13.525 ( -0.326 -0.497 0.091) 0.601 14.716 ( -4.124 7.900 1.207) 8.993 14.953 ( -5.932 1.934 1.429) 6.401 15.163 ( 2.336 -2.048 1.500) 3.450 15.324 ( 6.452 -3.003 -9.455) 11.834 15.578 ( -1.552 -3.108 1.757) 3.893 ======================= Grid point 120 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -13.359 1.426 3.167) 13.803 1.248 ( -20.825 -11.730 -2.511) 24.033 1.504 ( -6.736 9.214 -2.813) 11.756 1.890 ( -6.532 7.724 0.622) 10.135 1.996 ( -4.139 -5.737 1.518) 7.236 2.063 ( -2.772 2.312 3.125) 4.775 2.143 ( -8.722 -9.402 -0.509) 12.835 2.251 ( 0.428 4.542 -0.280) 4.571 2.380 ( -5.008 -2.802 5.884) 8.219 2.551 ( -2.803 2.550 3.639) 5.254 2.626 ( -5.685 1.044 0.734) 5.826 2.820 ( 0.604 0.284 -3.082) 3.154 2.891 ( -5.535 3.345 1.545) 6.649 2.925 ( 1.164 3.180 -0.211) 3.392 3.028 ( -1.646 -1.980 -0.507) 2.624 3.178 ( 3.003 0.639 -1.025) 3.236 3.239 ( 3.650 -2.048 -0.137) 4.187 3.297 ( 3.953 -2.666 1.313) 4.946 3.371 ( -0.119 -0.678 -2.073) 2.184 3.533 ( 0.843 -0.858 -3.813) 3.998 3.628 ( -1.249 -4.323 -1.502) 4.744 3.723 ( -1.811 0.940 2.901) 3.547 3.872 ( -2.468 -4.619 -2.392) 5.757 3.982 ( -0.766 -2.837 1.983) 3.546 4.012 ( -0.028 -1.387 3.846) 4.089 4.111 ( -4.198 -9.859 -5.584) 12.083 4.200 ( -0.514 -5.783 1.425) 5.978 4.264 ( -1.972 -5.029 0.187) 5.405 4.311 ( -1.979 1.030 -4.643) 5.151 4.397 ( 1.136 0.609 -0.395) 1.348 4.481 ( 1.402 -2.811 2.168) 3.817 4.516 ( -3.929 -5.169 -1.231) 6.608 4.616 ( 0.232 4.293 -2.040) 4.759 4.703 ( 0.816 -2.647 0.932) 2.923 4.788 ( 0.210 2.613 4.893) 5.551 4.858 ( -1.653 1.592 -9.355) 9.632 4.943 ( 1.120 -0.662 2.531) 2.846 4.978 ( 4.495 -1.630 -0.605) 4.820 5.060 ( 1.047 5.488 0.275) 5.593 5.150 ( -0.018 -0.429 -0.146) 0.453 5.182 ( 1.725 -0.751 -2.355) 3.014 5.276 ( 2.902 -3.613 -0.563) 4.669 5.329 ( 0.833 -2.097 -1.759) 2.861 5.370 ( 0.141 0.127 3.420) 3.425 5.484 ( 2.930 2.980 2.412) 4.825 5.558 ( 1.708 1.237 2.084) 2.965 5.622 ( 1.744 -0.831 1.041) 2.195 5.688 ( 4.143 2.100 -5.699) 7.352 5.740 ( 0.668 1.244 6.319) 6.475 5.800 ( 1.732 -1.222 -0.679) 2.226 5.872 ( -5.570 0.590 -8.394) 10.092 5.947 ( 2.633 -1.718 6.267) 7.011 6.092 ( -0.682 -0.908 3.113) 3.314 6.117 ( -1.891 -3.673 -0.554) 4.168 6.272 ( 0.487 1.830 -4.838) 5.195 6.332 ( -0.694 -1.499 3.461) 3.835 6.540 ( -2.428 7.397 0.841) 7.831 6.562 ( -1.030 7.645 0.376) 7.723 6.673 ( 3.828 -2.353 -2.835) 5.313 6.901 ( 2.017 2.699 -0.110) 3.371 6.947 ( 3.406 -2.681 6.419) 7.745 7.052 ( -0.798 -1.856 0.907) 2.215 7.246 ( 2.386 4.425 -2.213) 5.493 7.281 ( 3.292 -2.688 -7.550) 8.664 7.459 ( 2.399 -2.111 -3.723) 4.907 7.534 ( 1.143 -4.422 8.173) 9.363 7.652 ( -0.224 -3.581 9.128) 9.808 7.681 ( -0.943 0.803 -0.103) 1.243 7.778 ( 0.119 -4.989 0.162) 4.993 7.806 ( -1.153 -5.390 -1.811) 5.802 7.849 ( 2.708 -0.605 2.556) 3.773 7.899 ( -0.915 -3.297 1.297) 3.659 8.092 ( 0.825 6.556 -1.810) 6.851 8.130 ( -3.417 -1.504 -2.674) 4.592 8.217 ( 2.104 -4.400 -5.181) 7.115 8.341 ( 2.963 1.459 0.836) 3.407 8.416 ( -0.730 4.254 1.270) 4.499 8.477 ( 2.370 -4.510 3.834) 6.376 8.650 ( 2.596 3.348 -2.140) 4.746 8.722 ( -3.426 3.590 -1.455) 5.171 8.833 ( 4.293 0.511 0.425) 4.344 8.901 ( 2.570 -1.676 -1.317) 3.339 9.154 ( 0.948 2.802 -3.055) 4.252 9.256 ( 2.093 4.842 -0.151) 5.277 9.517 ( -3.264 1.932 -3.668) 5.276 9.596 ( 0.364 -1.209 2.611) 2.900 9.750 ( -1.410 -3.614 -0.183) 3.884 9.898 ( 0.225 -0.385 -0.912) 1.016 10.006 ( 0.956 0.974 -0.408) 1.424 10.062 ( 0.935 3.178 3.192) 4.601 10.140 ( -2.614 3.489 -2.115) 4.846 10.270 ( 1.537 -3.512 -1.787) 4.229 10.328 ( -0.714 2.745 4.534) 5.348 10.421 ( 0.125 -0.314 0.045) 0.341 10.579 ( 1.543 -1.143 3.072) 3.623 10.605 ( 5.423 -2.730 0.674) 6.108 10.704 ( -2.073 -2.945 0.506) 3.637 10.764 ( -1.191 3.337 -0.893) 3.654 10.829 ( -0.783 -3.940 3.412) 5.270 10.960 ( -3.511 1.166 -3.490) 5.086 11.060 ( 0.781 -2.499 -1.960) 3.270 11.129 ( -0.516 1.234 -0.614) 1.472 11.330 ( 1.393 0.593 2.017) 2.522 11.381 ( -1.718 -1.039 -3.879) 4.368 11.456 ( 2.076 1.126 -0.293) 2.380 11.542 ( 0.792 -1.688 -2.988) 3.522 11.623 ( -0.770 0.412 -0.299) 0.923 11.679 ( 1.355 -0.560 -2.725) 3.095 11.807 ( -2.532 2.830 1.208) 3.984 11.930 ( -2.383 2.718 -1.961) 4.113 12.078 ( -2.357 1.648 2.131) 3.579 12.739 ( -2.673 2.888 11.862) 12.498 12.851 ( 0.906 -4.047 -1.056) 4.279 13.324 ( 1.743 3.441 -0.017) 3.857 13.522 ( 0.352 1.211 0.044) 1.262 14.525 ( -7.428 7.417 -0.380) 10.504 14.927 ( -3.645 -2.184 1.370) 4.465 15.161 ( 1.749 3.606 -0.655) 4.061 15.415 ( 8.746 -3.599 -6.462) 11.454 15.643 ( -1.175 -3.734 4.328) 5.836 ======================= Grid point 127 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -21.750 0.000 -3.105) 21.971 1.017 ( -27.198 0.000 -2.339) 27.298 1.571 ( -37.656 0.000 -2.715) 37.753 1.815 ( 4.724 -0.000 0.485) 4.749 2.045 ( -3.791 0.000 9.650) 10.368 2.104 ( -4.033 0.000 0.989) 4.153 2.129 ( -5.108 0.000 0.158) 5.111 2.290 ( -5.606 0.000 9.850) 11.334 2.321 ( -6.913 0.000 -5.626) 8.913 2.515 ( -3.618 0.000 -1.210) 3.816 2.767 ( -3.094 0.000 4.865) 5.766 2.866 ( -6.263 0.000 -0.058) 6.263 2.933 ( 2.479 -0.000 -0.348) 2.503 2.952 ( -0.324 0.000 -3.671) 3.685 3.022 ( 1.508 -0.000 2.671) 3.067 3.163 ( 3.763 -0.000 -3.525) 5.156 3.183 ( 0.596 -0.000 -2.799) 2.862 3.222 ( 4.459 -0.000 1.810) 4.813 3.447 ( -2.808 0.000 -1.887) 3.383 3.500 ( 2.815 -0.000 -5.312) 6.011 3.627 ( -1.742 0.000 3.358) 3.783 3.650 ( -0.580 0.000 -0.807) 0.994 3.731 ( -1.672 0.000 -5.392) 5.646 3.905 ( -3.365 0.000 -2.914) 4.451 3.931 ( -2.872 0.000 2.778) 3.996 4.022 ( 0.174 -0.000 1.889) 1.897 4.136 ( -4.836 0.000 -3.106) 5.748 4.192 ( 0.672 -0.000 3.102) 3.174 4.335 ( -1.972 0.000 0.107) 1.974 4.353 ( 2.781 -0.000 0.237) 2.791 4.388 ( -1.753 0.000 0.567) 1.843 4.469 ( 0.416 -0.000 4.349) 4.369 4.640 ( 5.996 -0.000 5.588) 8.196 4.717 ( -1.377 0.000 -2.922) 3.231 4.794 ( -3.781 0.000 -1.721) 4.155 4.880 ( -0.362 0.000 -1.944) 1.977 4.882 ( -2.948 0.000 -1.050) 3.130 5.004 ( -2.975 0.000 -2.294) 3.757 5.111 ( 7.357 -0.000 -7.585) 10.567 5.125 ( -0.870 0.000 -1.890) 2.081 5.133 ( 6.358 -0.000 2.658) 6.891 5.312 ( 1.603 -0.000 -2.709) 3.148 5.352 ( 2.351 -0.000 -2.480) 3.417 5.380 ( 2.663 -0.000 6.740) 7.247 5.545 ( -5.537 0.000 0.215) 5.541 5.582 ( 1.536 -0.000 -1.571) 2.197 5.617 ( 5.044 -0.000 1.449) 5.248 5.701 ( 3.121 -0.000 -4.841) 5.759 5.740 ( -3.896 0.000 2.384) 4.567 5.814 ( -0.186 0.000 2.818) 2.825 5.837 ( 3.216 -0.000 -4.587) 5.602 5.875 ( 2.817 -0.000 3.911) 4.820 6.057 ( 1.811 -0.000 2.049) 2.735 6.066 ( -0.073 0.000 -4.865) 4.865 6.215 ( -0.548 0.000 1.031) 1.168 6.366 ( -3.576 0.000 3.164) 4.775 6.631 ( -0.687 0.000 4.633) 4.683 6.734 ( 1.381 -0.000 8.677) 8.786 6.784 ( -1.471 0.000 0.561) 1.575 6.842 ( 7.489 -0.000 -0.694) 7.521 6.983 ( 2.085 -0.000 -3.773) 4.311 7.048 ( 1.284 -0.000 -0.248) 1.308 7.116 ( 2.941 -0.000 -9.123) 9.585 7.175 ( -3.051 0.000 22.231) 22.439 7.338 ( 0.181 -0.000 -0.352) 0.396 7.444 ( 1.816 -0.000 -0.233) 1.831 7.605 ( -0.179 0.000 3.448) 3.453 7.706 ( -1.405 0.000 -1.628) 2.150 7.726 ( -1.734 0.000 0.356) 1.770 7.736 ( 1.059 -0.000 -7.131) 7.209 7.743 ( -0.605 0.000 -0.679) 0.910 7.937 ( 6.025 -0.000 1.871) 6.309 8.054 ( 0.371 -0.000 -3.656) 3.675 8.177 ( -2.675 0.000 -5.457) 6.078 8.261 ( 0.521 -0.000 2.668) 2.718 8.406 ( 3.575 -0.000 1.621) 3.926 8.422 ( 2.433 -0.000 -1.419) 2.816 8.432 ( -1.468 0.000 7.163) 7.311 8.692 ( -3.866 0.000 -4.486) 5.922 8.765 ( 5.578 -0.000 2.390) 6.069 8.814 ( -1.714 0.000 -2.735) 3.228 8.874 ( 3.960 -0.000 0.191) 3.965 9.234 ( 1.913 -0.000 -1.720) 2.573 9.358 ( 1.554 -0.000 -2.464) 2.913 9.519 ( -1.589 0.000 -1.042) 1.901 9.631 ( 0.400 -0.000 -0.184) 0.441 9.682 ( 2.875 -0.000 -3.397) 4.450 9.870 ( -0.613 0.000 0.553) 0.826 10.043 ( 2.044 -0.000 -0.161) 2.050 10.126 ( 1.560 -0.000 2.400) 2.863 10.194 ( 2.468 -0.000 2.653) 3.623 10.213 ( 1.100 -0.000 -2.678) 2.895 10.449 ( 2.605 -0.000 2.157) 3.382 10.482 ( 3.253 -0.000 -5.126) 6.071 10.500 ( -2.047 0.000 -2.813) 3.479 10.603 ( 1.430 -0.000 4.534) 4.755 10.617 ( -0.570 0.000 3.294) 3.343 10.662 ( -2.845 0.000 1.723) 3.326 10.877 ( -2.752 0.000 -0.460) 2.791 10.932 ( 0.039 -0.000 -0.910) 0.911 11.003 ( -2.928 0.000 -5.291) 6.047 11.152 ( -0.771 0.000 0.117) 0.780 11.322 ( -3.506 0.000 0.969) 3.638 11.354 ( 3.362 -0.000 0.993) 3.506 11.478 ( 0.482 -0.000 -2.063) 2.119 11.551 ( 4.699 -0.000 -4.541) 6.535 11.598 ( 2.926 -0.000 0.175) 2.931 11.685 ( -3.002 0.000 0.419) 3.031 11.859 ( -3.773 0.000 1.954) 4.248 11.986 ( -3.896 0.000 -3.803) 5.445 12.128 ( -2.636 0.000 3.968) 4.764 12.764 ( 0.741 -0.000 -1.239) 1.443 12.808 ( -0.003 0.000 11.973) 11.973 13.421 ( -0.008 0.000 0.234) 0.235 13.506 ( -1.478 0.000 0.505) 1.562 14.778 ( -1.041 0.000 -0.547) 1.176 15.022 ( -3.925 0.000 11.858) 12.491 15.086 ( -0.702 0.000 -0.777) 1.047 15.272 ( 3.660 -0.000 -12.297) 12.830 15.544 ( -1.431 0.000 0.577) 1.543 ======================= Grid point 128 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -20.017 -4.989 4.839) 21.189 0.852 ( -25.041 -10.103 -1.512) 27.045 1.356 ( -33.762 -12.920 5.134) 36.513 1.804 ( 0.634 3.061 -0.629) 3.188 2.010 ( -4.632 4.512 3.012) 7.133 2.045 ( -3.903 0.809 -3.153) 5.083 2.087 ( -2.884 2.419 2.232) 4.376 2.272 ( -6.096 -3.756 -0.723) 7.197 2.311 ( -4.077 -1.397 7.479) 8.632 2.492 ( -4.244 -2.248 -1.634) 5.073 2.707 ( -2.567 6.620 5.195) 8.798 2.814 ( -4.344 0.502 -0.805) 4.446 2.872 ( -2.766 2.053 -1.869) 3.919 2.976 ( 0.853 0.445 0.382) 1.035 3.045 ( 1.991 2.028 1.282) 3.118 3.185 ( 3.136 -1.395 -3.869) 5.172 3.219 ( 5.123 -2.442 -2.633) 6.257 3.285 ( 3.374 -1.790 2.584) 4.611 3.422 ( 0.299 1.628 0.501) 1.730 3.500 ( 0.493 -2.940 -2.531) 3.911 3.533 ( -1.164 0.968 -2.494) 2.917 3.699 ( -2.234 -1.392 -3.943) 4.741 3.790 ( -1.598 -6.571 2.498) 7.209 3.864 ( -3.390 -4.964 -3.609) 7.011 3.925 ( -5.649 -2.028 2.451) 6.483 4.036 ( -0.773 -1.008 -4.076) 4.270 4.124 ( 0.449 -4.085 -0.334) 4.123 4.187 ( -3.466 0.779 2.004) 4.079 4.324 ( 0.579 1.654 -0.163) 1.760 4.383 ( -0.679 -4.907 -0.792) 5.016 4.413 ( 4.378 -0.373 -0.627) 4.438 4.501 ( 0.654 0.302 2.019) 2.144 4.641 ( -3.709 2.220 -4.223) 6.043 4.741 ( 3.650 -0.245 7.732) 8.554 4.765 ( -1.641 -2.265 -7.452) 7.960 4.828 ( -2.469 1.672 -2.068) 3.629 4.910 ( -0.676 -2.559 3.703) 4.552 4.971 ( -3.320 -2.722 -3.271) 5.397 5.105 ( 4.180 -0.836 -1.859) 4.650 5.164 ( 4.298 -1.882 -2.036) 5.115 5.195 ( 2.777 3.814 -1.431) 4.930 5.258 ( 3.163 -0.379 -2.272) 3.913 5.345 ( 3.337 1.162 -1.567) 3.865 5.396 ( -3.737 2.982 2.561) 5.424 5.558 ( -0.532 -0.810 0.069) 0.972 5.574 ( -0.859 -0.981 3.696) 3.920 5.641 ( 1.741 0.437 0.591) 1.889 5.697 ( 2.938 0.060 -2.394) 3.790 5.728 ( -0.720 -0.348 0.616) 1.010 5.817 ( 0.472 0.473 -0.122) 0.679 5.842 ( 1.320 2.647 -2.191) 3.681 5.944 ( 0.563 -3.840 5.473) 6.709 6.095 ( 1.237 -2.720 -2.009) 3.600 6.096 ( 1.877 -0.327 2.852) 3.430 6.245 ( -0.091 -2.720 0.098) 2.723 6.339 ( -0.601 2.202 -1.241) 2.598 6.615 ( -0.287 1.994 2.544) 3.245 6.692 ( -0.316 5.824 0.849) 5.894 6.712 ( 1.830 8.080 1.750) 8.467 6.952 ( 2.422 -1.629 4.355) 5.243 6.981 ( 2.236 -0.119 1.632) 2.771 7.053 ( 1.695 0.838 0.632) 1.994 7.135 ( 1.560 -7.138 -10.355) 12.673 7.316 ( 1.825 2.399 -1.984) 3.608 7.425 ( 2.903 -3.870 -2.125) 5.284 7.547 ( 4.210 -6.027 13.719) 15.565 7.632 ( 1.670 -4.779 5.720) 7.639 7.691 ( -0.042 -1.632 -4.560) 4.844 7.713 ( -0.368 -4.132 5.774) 7.110 7.727 ( -1.097 -0.073 -0.519) 1.216 7.765 ( -1.411 -3.495 -0.603) 3.817 7.983 ( 5.503 2.351 3.288) 6.828 8.053 ( -1.193 -1.867 -3.544) 4.180 8.143 ( 0.617 -2.367 -4.354) 4.994 8.221 ( 0.219 7.353 0.693) 7.389 8.390 ( 3.342 0.518 -0.120) 3.384 8.455 ( 1.712 0.561 0.170) 1.810 8.496 ( -0.585 -0.732 9.752) 9.797 8.645 ( -3.394 -1.361 -1.958) 4.148 8.752 ( 0.209 3.917 -2.760) 4.796 8.869 ( 4.102 -4.068 -0.370) 5.789 8.889 ( 2.605 1.511 0.457) 3.046 9.208 ( 1.511 3.929 -1.829) 4.590 9.330 ( 1.590 2.936 -2.959) 4.462 9.468 ( -4.089 0.448 -6.103) 7.360 9.623 ( -1.111 3.224 1.181) 3.608 9.680 ( -0.738 -3.110 -1.004) 3.350 9.882 ( 0.007 -1.114 -0.323) 1.160 10.044 ( 1.907 1.758 -0.213) 2.603 10.125 ( 0.027 1.501 -2.097) 2.579 10.181 ( -1.336 6.894 -0.555) 7.044 10.214 ( 1.167 -3.176 -2.977) 4.507 10.406 ( 1.289 -0.505 4.258) 4.477 10.417 ( -2.759 4.243 -0.673) 5.106 10.556 ( 2.655 -3.540 -1.018) 4.541 10.627 ( -4.450 -1.048 3.230) 5.598 10.662 ( 5.109 -1.466 2.169) 5.740 10.763 ( 1.980 -6.035 3.367) 7.189 10.802 ( -1.955 2.747 -0.158) 3.376 10.938 ( -1.827 1.674 -4.251) 4.920 10.993 ( 0.711 -4.944 -2.264) 5.483 11.137 ( -1.129 0.788 -0.040) 1.377 11.309 ( -3.606 -2.275 -1.397) 4.487 11.373 ( 2.529 1.348 0.697) 2.950 11.485 ( 1.351 -0.714 -0.689) 1.676 11.531 ( 2.941 2.546 -4.556) 5.990 11.626 ( -0.235 0.602 -0.442) 0.783 11.656 ( -0.105 -0.678 -2.707) 2.792 11.829 ( -2.933 1.422 2.335) 4.010 11.919 ( -4.019 1.241 -2.123) 4.711 12.108 ( -2.857 2.538 4.025) 5.550 12.789 ( 0.836 -2.966 -1.005) 3.241 12.864 ( -0.410 4.302 13.761) 14.424 13.391 ( 1.630 2.648 0.335) 3.127 13.525 ( 0.444 -1.676 -0.232) 1.749 14.612 ( -8.222 14.101 -2.478) 16.510 14.878 ( -6.328 0.820 1.895) 6.656 15.227 ( 1.781 2.339 -4.329) 5.233 15.359 ( 10.188 -9.663 0.454) 14.049 15.594 ( 0.728 -6.400 5.900) 8.735 ======================= Grid point 136 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -21.148 0.000 11.916) 24.275 0.538 ( -26.422 0.000 6.869) 27.300 0.929 ( -41.204 0.000 22.391) 46.895 1.863 ( 1.485 -0.000 -2.706) 3.086 1.983 ( -6.903 0.000 -5.019) 8.534 2.002 ( -6.041 0.000 -0.655) 6.076 2.104 ( -2.997 0.000 4.971) 5.804 2.170 ( -2.978 0.000 -0.413) 3.006 2.283 ( -5.096 0.000 3.361) 6.105 2.438 ( -1.888 0.000 -2.198) 2.898 2.751 ( -5.999 0.000 1.345) 6.148 2.793 ( -0.954 0.000 4.588) 4.686 2.893 ( -1.263 0.000 -7.517) 7.623 2.941 ( -1.822 0.000 0.974) 2.066 3.057 ( -0.425 0.000 2.284) 2.323 3.228 ( 4.870 -0.000 0.167) 4.873 3.229 ( 5.455 -0.000 -1.389) 5.629 3.310 ( 3.804 -0.000 0.570) 3.847 3.394 ( -0.687 0.000 -0.194) 0.713 3.486 ( 3.081 -0.000 -4.765) 5.674 3.580 ( -4.049 0.000 -2.839) 4.945 3.623 ( -1.884 0.000 0.689) 2.006 3.674 ( -0.009 0.000 -0.411) 0.412 3.824 ( -1.223 0.000 -2.883) 3.132 3.865 ( -6.761 0.000 1.499) 6.925 3.972 ( -0.226 0.000 -7.037) 7.040 4.094 ( -0.026 0.000 1.929) 1.929 4.236 ( 0.719 -0.000 1.561) 1.718 4.298 ( -2.622 0.000 0.168) 2.627 4.368 ( -1.630 0.000 -0.666) 1.761 4.452 ( 7.096 -0.000 -4.602) 8.457 4.494 ( -1.598 0.000 -1.874) 2.463 4.587 ( -5.134 0.000 -4.457) 6.798 4.681 ( 1.369 -0.000 -9.308) 9.408 4.791 ( -0.380 0.000 -1.659) 1.702 4.832 ( -2.078 0.000 0.502) 2.137 4.891 ( -5.094 0.000 7.670) 9.207 4.891 ( -0.972 0.000 0.145) 0.983 5.112 ( 4.019 -0.000 -7.166) 8.216 5.132 ( 4.274 -0.000 -4.642) 6.310 5.248 ( 4.220 -0.000 0.092) 4.221 5.285 ( 1.256 -0.000 -0.667) 1.422 5.377 ( 3.647 -0.000 -0.869) 3.749 5.441 ( -1.990 0.000 6.431) 6.732 5.493 ( -4.810 0.000 5.087) 7.001 5.573 ( 1.156 -0.000 -1.317) 1.752 5.660 ( 3.003 -0.000 -7.103) 7.711 5.727 ( -0.921 0.000 0.521) 1.058 5.789 ( 4.295 -0.000 4.291) 6.071 5.826 ( -1.042 0.000 -0.855) 1.348 5.880 ( 2.396 -0.000 3.328) 4.101 5.938 ( 0.026 -0.000 4.279) 4.279 5.981 ( -0.729 0.000 -6.357) 6.398 6.130 ( 1.353 -0.000 2.525) 2.865 6.236 ( -0.609 0.000 2.741) 2.808 6.336 ( -2.987 0.000 2.207) 3.714 6.653 ( -0.571 0.000 2.847) 2.904 6.753 ( -0.313 0.000 -2.666) 2.684 6.833 ( -1.063 0.000 -3.161) 3.335 6.914 ( 3.485 -0.000 -5.988) 6.928 7.011 ( 4.523 -0.000 7.808) 9.024 7.071 ( 0.696 -0.000 -2.898) 2.981 7.112 ( 2.113 -0.000 6.060) 6.418 7.330 ( -2.938 0.000 -8.138) 8.652 7.351 ( 1.211 -0.000 0.342) 1.259 7.547 ( 0.937 -0.000 -8.913) 8.962 7.626 ( -2.033 0.000 -0.291) 2.054 7.669 ( 1.647 -0.000 5.437) 5.681 7.694 ( -2.148 0.000 0.389) 2.183 7.738 ( 0.143 -0.000 0.624) 0.640 7.817 ( 15.773 -0.000 29.383) 33.348 8.013 ( 0.227 -0.000 -3.010) 3.019 8.065 ( 3.767 -0.000 3.493) 5.137 8.121 ( 1.426 -0.000 0.630) 1.560 8.289 ( -0.177 0.000 1.012) 1.028 8.441 ( 1.859 -0.000 -1.507) 2.393 8.447 ( 1.646 -0.000 2.096) 2.665 8.545 ( 0.254 -0.000 9.256) 9.259 8.595 ( -4.929 0.000 3.697) 6.161 8.778 ( 1.635 -0.000 -3.336) 3.715 8.862 ( 3.870 -0.000 -1.655) 4.209 8.937 ( 2.691 -0.000 6.127) 6.692 9.257 ( 1.399 -0.000 0.973) 1.704 9.333 ( -0.143 0.000 -8.968) 8.970 9.368 ( -7.863 0.000 -10.342) 12.992 9.633 ( 0.419 -0.000 -0.563) 0.702 9.677 ( -0.093 0.000 1.836) 1.838 9.866 ( -0.637 0.000 0.664) 0.920 10.069 ( -0.316 0.000 -1.309) 1.347 10.105 ( 0.705 -0.000 -6.108) 6.148 10.164 ( 0.317 -0.000 -2.581) 2.600 10.293 ( 2.762 -0.000 1.229) 3.023 10.352 ( 0.127 -0.000 -3.131) 3.134 10.489 ( -3.032 0.000 4.477) 5.407 10.526 ( 2.650 -0.000 0.976) 2.825 10.593 ( -4.170 0.000 2.671) 4.952 10.692 ( -1.342 0.000 3.208) 3.478 10.786 ( 6.988 -0.000 3.298) 7.727 10.787 ( -1.741 0.000 -4.467) 4.794 10.922 ( 0.044 -0.000 1.133) 1.134 10.934 ( 0.128 -0.000 -0.856) 0.865 11.133 ( -1.035 0.000 0.763) 1.286 11.250 ( -3.357 0.000 -0.108) 3.359 11.412 ( 3.174 -0.000 -0.522) 3.217 11.478 ( 0.482 -0.000 -0.501) 0.695 11.570 ( 3.570 -0.000 -4.378) 5.649 11.626 ( 4.682 -0.000 -5.694) 7.372 11.630 ( -3.778 0.000 0.330) 3.793 11.828 ( -2.560 0.000 2.039) 3.273 11.881 ( -4.605 0.000 -0.183) 4.609 12.144 ( -2.376 0.000 5.631) 6.111 12.764 ( 0.727 -0.000 -0.969) 1.212 13.021 ( 5.188 -0.000 3.785) 6.421 13.422 ( -0.030 0.000 -0.077) 0.083 13.486 ( -1.535 0.000 0.629) 1.659 14.689 ( -7.171 0.000 -18.655) 19.985 14.846 ( -12.800 0.000 -13.182) 18.374 15.069 ( -0.341 0.000 -0.448) 0.563 15.523 ( -1.113 0.000 -0.188) 1.129 15.579 ( 21.945 -0.000 38.006) 43.886 ======================= Grid point 137 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 2.294 -0.000 21.522) 21.644 1.038 ( -0.034 0.000 22.435) 22.435 1.466 ( -0.434 0.000 -17.596) 17.601 1.486 ( -1.568 0.000 -17.565) 17.635 1.822 ( -1.568 0.000 33.002) 33.039 1.968 ( -2.190 0.000 2.439) 3.278 2.051 ( -0.023 0.000 -2.176) 2.176 2.210 ( -2.929 0.000 -2.397) 3.785 2.264 ( 1.199 -0.000 1.595) 1.996 2.382 ( 0.299 -0.000 -1.201) 1.238 2.743 ( -1.003 0.000 -1.233) 1.589 2.764 ( 2.857 -0.000 -0.992) 3.024 2.856 ( 0.448 -0.000 -0.423) 0.616 3.074 ( 2.442 -0.000 -18.330) 18.492 3.103 ( -8.577 0.000 11.168) 14.081 3.163 ( -1.377 0.000 4.589) 4.791 3.264 ( 0.794 -0.000 -0.925) 1.219 3.268 ( 0.242 -0.000 -0.314) 0.396 3.405 ( -0.944 0.000 0.531) 1.083 3.438 ( 10.945 -0.000 -8.004) 13.560 3.538 ( -0.130 0.000 2.069) 2.073 3.645 ( -0.666 0.000 1.665) 1.793 3.705 ( 3.711 -0.000 1.864) 4.153 3.731 ( 0.098 -0.000 -2.111) 2.113 3.776 ( -2.525 0.000 0.319) 2.545 3.814 ( 0.727 -0.000 -1.783) 1.925 4.048 ( -4.088 0.000 -3.983) 5.708 4.141 ( -0.099 0.000 1.492) 1.495 4.156 ( 0.200 -0.000 -5.314) 5.318 4.228 ( 0.044 -0.000 -2.592) 2.592 4.272 ( -0.478 0.000 0.437) 0.648 4.474 ( 2.099 -0.000 -2.801) 3.500 4.488 ( -0.459 0.000 -0.939) 1.045 4.634 ( -0.031 0.000 -0.167) 0.170 4.666 ( 2.017 -0.000 -1.264) 2.380 4.718 ( -1.748 0.000 -2.192) 2.804 4.839 ( 1.214 -0.000 0.010) 1.214 5.071 ( 1.148 -0.000 0.121) 1.154 5.106 ( 0.941 -0.000 -0.534) 1.082 5.221 ( 0.391 -0.000 8.054) 8.064 5.252 ( 0.792 -0.000 -1.258) 1.487 5.336 ( 0.909 -0.000 -0.983) 1.339 5.481 ( 1.476 -0.000 1.794) 2.323 5.580 ( -2.258 0.000 -4.019) 4.610 5.584 ( -1.340 0.000 3.808) 4.037 5.633 ( -1.293 0.000 0.625) 1.436 5.674 ( -1.566 0.000 1.177) 1.959 5.707 ( 3.158 -0.000 1.370) 3.442 5.712 ( 3.523 -0.000 -1.890) 3.998 5.763 ( -4.202 0.000 -0.832) 4.283 5.778 ( -3.514 0.000 1.310) 3.750 6.002 ( -0.824 0.000 -4.722) 4.793 6.044 ( 3.576 -0.000 0.400) 3.598 6.157 ( -0.074 0.000 3.387) 3.388 6.239 ( -2.786 0.000 -2.776) 3.933 6.311 ( -0.749 0.000 0.916) 1.183 6.606 ( -0.424 0.000 -1.947) 1.993 6.735 ( -1.373 0.000 1.745) 2.220 6.753 ( -3.033 0.000 4.600) 5.510 6.891 ( 0.957 -0.000 0.193) 0.976 7.007 ( 0.371 -0.000 -1.640) 1.682 7.059 ( 2.383 -0.000 -2.217) 3.255 7.276 ( -2.034 0.000 2.060) 2.895 7.297 ( 1.050 -0.000 0.515) 1.170 7.437 ( 1.414 -0.000 -2.623) 2.980 7.498 ( 1.201 -0.000 2.863) 3.104 7.581 ( 0.135 -0.000 0.475) 0.493 7.670 ( -0.332 0.000 0.247) 0.414 7.803 ( 3.485 -0.000 4.135) 5.408 7.896 ( -0.039 0.000 -2.005) 2.006 7.930 ( 1.755 -0.000 11.430) 11.564 7.976 ( -7.954 0.000 -3.112) 8.541 8.175 ( -2.692 0.000 -8.369) 8.791 8.198 ( 1.130 -0.000 -0.650) 1.303 8.276 ( 4.332 -0.000 4.295) 6.100 8.352 ( -6.099 0.000 -2.102) 6.451 8.413 ( 0.827 -0.000 -1.215) 1.470 8.597 ( -1.442 0.000 4.963) 5.168 8.745 ( 1.427 -0.000 -0.250) 1.449 8.758 ( -0.450 0.000 -2.387) 2.429 8.839 ( 2.208 -0.000 -1.413) 2.622 9.019 ( -1.003 0.000 0.856) 1.318 9.189 ( 1.645 -0.000 -4.342) 4.643 9.358 ( 0.203 -0.000 1.814) 1.826 9.417 ( 2.455 -0.000 -1.077) 2.681 9.614 ( 0.316 -0.000 -0.724) 0.790 9.892 ( -0.205 0.000 0.868) 0.892 9.931 ( 0.527 -0.000 5.892) 5.915 9.962 ( -0.100 0.000 -0.634) 0.642 10.078 ( 1.437 -0.000 -5.118) 5.316 10.159 ( 3.072 -0.000 0.112) 3.074 10.239 ( -3.616 0.000 -2.514) 4.404 10.439 ( 0.430 -0.000 1.049) 1.134 10.497 ( -0.570 0.000 -0.317) 0.652 10.577 ( 0.638 -0.000 -0.196) 0.668 10.642 ( 4.519 -0.000 1.256) 4.691 10.656 ( -4.709 0.000 1.445) 4.925 10.799 ( 3.179 -0.000 -0.332) 3.196 10.828 ( -0.111 0.000 0.214) 0.241 10.888 ( -2.597 0.000 -0.864) 2.736 11.008 ( 1.734 -0.000 0.612) 1.839 11.215 ( -1.139 0.000 0.059) 1.141 11.243 ( 0.803 -0.000 0.176) 0.822 11.422 ( 1.046 -0.000 -0.917) 1.391 11.448 ( 0.058 -0.000 -0.754) 0.757 11.527 ( 0.742 -0.000 -1.000) 1.246 11.554 ( 1.864 -0.000 -1.938) 2.689 11.559 ( -1.128 0.000 -0.251) 1.155 11.796 ( -0.185 0.000 -0.136) 0.230 11.929 ( -0.231 0.000 1.431) 1.450 12.293 ( -1.467 0.000 3.489) 3.785 12.547 ( -7.222 0.000 -0.571) 7.245 12.747 ( 0.634 -0.000 -0.728) 0.965 13.413 ( -0.056 0.000 -0.175) 0.184 13.496 ( -0.354 0.000 0.582) 0.681 14.315 ( 0.803 -0.000 0.779) 1.119 14.746 ( -0.278 0.000 -0.107) 0.297 15.060 ( 0.297 -0.000 -0.173) 0.344 15.491 ( -0.147 0.000 -0.432) 0.457 16.100 ( -0.992 0.000 0.130) 1.001 ======================= Grid point 138 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.452 16.265 12.448) 20.770 1.233 ( 5.487 -3.267 12.169) 13.743 1.396 ( 6.005 -11.417 -9.955) 16.295 1.442 ( 2.414 -6.693 -11.339) 13.386 1.930 ( 1.608 4.887 2.167) 5.583 2.009 ( -1.366 4.038 1.019) 4.383 2.106 ( 3.973 -8.124 15.726) 18.141 2.230 ( -3.574 -5.490 -1.798) 6.793 2.316 ( 3.124 -4.624 0.049) 5.581 2.395 ( 2.221 -1.203 -0.084) 2.528 2.718 ( 0.230 1.404 -1.882) 2.359 2.777 ( 3.264 2.314 -1.165) 4.167 2.885 ( 0.780 -3.446 0.315) 3.547 3.020 ( 1.317 -1.922 -2.389) 3.337 3.070 ( -6.819 2.938 4.443) 8.653 3.149 ( -0.793 1.790 0.724) 2.088 3.216 ( -0.128 3.193 -0.797) 3.293 3.277 ( -0.159 -1.559 -1.356) 2.072 3.385 ( 6.503 4.732 -5.548) 9.771 3.462 ( 4.138 -0.895 -2.960) 5.166 3.534 ( -3.621 -0.780 1.061) 3.853 3.683 ( 0.584 -2.902 -0.046) 2.960 3.720 ( 0.292 -0.921 0.627) 1.152 3.767 ( -0.344 -5.660 -1.876) 5.972 3.853 ( 0.570 -5.533 -1.598) 5.788 3.895 ( 3.793 -8.621 0.886) 9.460 4.024 ( 0.195 0.757 1.023) 1.287 4.104 ( 5.020 1.907 0.323) 5.380 4.180 ( 2.075 -0.991 -2.796) 3.620 4.227 ( -0.572 -2.807 -1.206) 3.108 4.334 ( -1.242 -6.711 0.232) 6.829 4.492 ( -1.899 -4.070 -1.564) 4.756 4.520 ( 0.279 -4.375 -0.179) 4.387 4.634 ( 0.074 3.281 -1.209) 3.497 4.680 ( 2.151 -0.169 -1.118) 2.430 4.731 ( 4.211 -5.165 0.086) 6.665 4.916 ( 1.731 -4.862 -0.161) 5.164 5.063 ( -0.978 -2.239 -0.794) 2.569 5.132 ( -4.037 -2.969 0.642) 5.052 5.214 ( -0.707 2.947 0.349) 3.051 5.270 ( 0.855 1.611 2.324) 2.954 5.280 ( -1.850 2.497 -3.112) 4.398 5.457 ( -4.283 6.060 -0.621) 7.447 5.489 ( 0.913 2.369 2.936) 3.881 5.564 ( 1.687 3.544 0.389) 3.945 5.596 ( 0.735 6.525 -2.461) 7.012 5.628 ( 0.560 0.408 -1.579) 1.725 5.634 ( -0.176 0.241 2.948) 2.963 5.751 ( -0.853 -0.452 1.451) 1.743 5.805 ( -3.164 -1.668 1.639) 3.935 5.946 ( 1.658 -9.095 -0.318) 9.251 5.969 ( -0.105 -2.150 -2.410) 3.232 6.069 ( 2.487 0.041 0.334) 2.510 6.104 ( -3.113 9.389 0.644) 9.913 6.249 ( 2.031 -7.815 1.326) 8.183 6.321 ( -1.424 -0.635 0.083) 1.561 6.598 ( -1.774 -0.767 -0.848) 2.111 6.661 ( -1.433 6.399 0.979) 6.631 6.786 ( -3.200 -1.640 4.992) 6.152 6.895 ( -0.360 0.664 0.626) 0.980 6.994 ( -0.191 0.892 -0.614) 1.100 7.033 ( 1.565 3.287 -3.767) 5.239 7.211 ( 1.351 7.318 -1.935) 7.689 7.295 ( -2.071 -3.128 2.140) 4.319 7.481 ( -0.646 -2.783 -1.534) 3.243 7.554 ( -2.291 -5.611 0.276) 6.067 7.614 ( 0.303 -3.531 0.168) 3.547 7.687 ( 1.826 -1.479 0.474) 2.397 7.808 ( -2.200 1.322 -1.622) 3.036 7.882 ( -0.311 0.243 -0.665) 0.774 7.918 ( -2.779 1.994 5.021) 6.075 8.015 ( 0.716 0.055 6.925) 6.962 8.082 ( -0.915 1.380 -3.649) 4.007 8.184 ( -2.956 0.534 -3.036) 4.271 8.303 ( -2.912 -1.092 -1.572) 3.485 8.347 ( 4.152 -0.040 3.941) 5.725 8.420 ( -0.020 -1.169 -0.830) 1.434 8.592 ( -3.267 1.788 4.740) 6.028 8.710 ( -0.489 1.741 -0.979) 2.056 8.731 ( -0.523 2.250 -3.012) 3.796 8.831 ( 2.234 2.440 -1.579) 3.666 9.034 ( -1.483 -1.846 1.176) 2.644 9.166 ( 1.534 1.963 -2.500) 3.529 9.361 ( -0.296 2.453 0.386) 2.501 9.396 ( 0.458 1.036 -2.408) 2.661 9.615 ( 1.292 -0.370 -0.985) 1.666 9.902 ( -2.510 1.161 4.453) 5.242 9.925 ( -2.712 -1.025 1.027) 3.076 9.987 ( 3.265 -0.001 1.610) 3.641 9.997 ( -0.635 5.543 -6.917) 8.887 10.183 ( -4.325 -4.789 -2.198) 6.817 10.273 ( 3.358 -2.909 1.338) 4.639 10.323 ( -3.098 9.567 1.077) 10.114 10.439 ( 2.818 3.306 0.176) 4.348 10.570 ( -0.916 0.446 -1.044) 1.458 10.638 ( -4.529 -0.797 3.379) 5.707 10.706 ( -6.694 -4.804 -0.515) 8.255 10.816 ( 0.718 1.181 -0.053) 1.383 10.838 ( 2.133 -1.995 -0.324) 2.939 10.927 ( 6.549 1.573 -0.117) 6.737 11.032 ( 4.739 -1.771 -0.849) 5.130 11.214 ( -5.229 -2.386 -0.915) 5.819 11.238 ( -1.861 -1.903 0.251) 2.674 11.379 ( -1.207 4.959 -0.168) 5.107 11.431 ( 1.638 -0.068 -1.581) 2.277 11.527 ( -1.796 -0.905 -0.154) 2.017 11.545 ( -0.420 -0.004 -1.725) 1.776 11.582 ( 2.504 -1.070 -0.209) 2.731 11.800 ( 0.369 -0.596 0.104) 0.709 11.917 ( 0.860 2.454 0.553) 2.659 12.227 ( 0.834 5.883 2.345) 6.387 12.652 ( -1.095 -7.804 4.764) 9.209 12.785 ( 2.339 -4.436 -0.638) 5.055 13.372 ( 0.090 4.379 -0.246) 4.386 13.505 ( 0.203 -0.318 0.229) 0.441 14.356 ( 5.460 -0.459 -0.396) 5.494 14.766 ( 2.478 -1.734 0.302) 3.039 15.123 ( 0.665 -6.502 -0.612) 6.565 15.450 ( 0.287 5.082 -0.332) 5.101 16.016 ( -6.121 5.588 1.281) 8.386 ======================= Grid point 139 (60/93) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 9.269 23.612 -0.309) 25.368 1.400 ( 4.339 -8.159 -6.466) 11.279 1.526 ( 4.288 -6.638 1.277) 8.005 1.688 ( 3.901 -9.529 3.930) 11.021 1.895 ( -1.347 7.628 -0.399) 7.756 1.935 ( 5.954 -2.208 3.448) 7.226 2.231 ( -0.236 -4.130 -2.505) 4.836 2.290 ( 0.796 0.710 2.748) 2.948 2.378 ( 1.142 0.368 -0.996) 1.559 2.500 ( 5.417 -4.753 4.710) 8.609 2.682 ( -1.057 2.520 2.850) 3.949 2.749 ( 3.133 2.535 -1.735) 4.387 2.953 ( -1.037 -0.778 2.164) 2.523 2.988 ( -2.655 -0.827 -4.716) 5.474 3.082 ( 1.461 0.653 3.861) 4.179 3.113 ( -1.317 0.655 1.159) 1.872 3.198 ( 5.646 1.098 -2.821) 6.406 3.303 ( 2.358 -3.663 -3.355) 5.499 3.410 ( 3.415 -7.815 -2.621) 8.922 3.450 ( -4.988 1.609 2.684) 5.888 3.586 ( 2.961 -5.324 0.545) 6.117 3.705 ( 0.178 1.195 1.744) 2.122 3.772 ( 1.094 -5.669 -4.260) 7.175 3.844 ( -1.218 -7.241 -4.421) 8.571 3.945 ( 1.787 -4.724 3.704) 6.263 4.036 ( 0.153 -1.180 1.684) 2.062 4.055 ( 2.778 -5.550 -0.263) 6.212 4.170 ( 7.390 -1.568 -1.753) 7.755 4.214 ( 4.508 -2.845 0.401) 5.345 4.276 ( -0.308 -2.977 0.642) 3.061 4.442 ( -3.049 -8.927 -1.348) 9.529 4.517 ( 0.051 -0.511 -1.578) 1.660 4.569 ( -1.397 2.373 0.777) 2.861 4.620 ( 0.367 -6.200 1.692) 6.437 4.721 ( 3.647 -3.012 -2.377) 5.293 4.842 ( 0.535 -3.539 0.736) 3.654 4.966 ( 2.813 -0.632 0.517) 2.929 5.084 ( -6.213 3.916 0.037) 7.344 5.127 ( -2.945 0.416 3.325) 4.461 5.158 ( -2.925 1.639 -8.308) 8.959 5.203 ( 0.388 -5.332 1.168) 5.472 5.306 ( 1.319 -1.212 -0.132) 1.796 5.367 ( -0.403 2.195 1.292) 2.579 5.426 ( -2.797 4.173 -8.932) 10.248 5.468 ( -0.629 1.504 4.126) 4.437 5.577 ( 2.330 -0.085 0.564) 2.399 5.644 ( -1.697 -0.048 4.338) 4.658 5.678 ( 1.317 -0.992 3.091) 3.503 5.763 ( 1.195 0.032 -0.460) 1.281 5.781 ( -1.140 2.717 -0.444) 2.980 5.876 ( -1.227 4.644 2.541) 5.434 5.925 ( -2.522 8.776 -1.113) 9.199 6.076 ( 3.532 2.806 -1.379) 4.718 6.123 ( 0.511 -4.974 2.467) 5.576 6.329 ( -1.060 -2.045 -0.429) 2.343 6.391 ( 2.217 -2.589 -1.249) 3.630 6.546 ( -2.591 0.134 -0.977) 2.772 6.611 ( -0.828 0.246 1.837) 2.030 6.791 ( -2.531 2.027 2.718) 4.231 6.846 ( -2.908 4.532 2.635) 5.994 6.952 ( 2.014 4.675 -3.594) 6.231 6.988 ( 1.396 -0.769 1.064) 1.916 7.149 ( 0.513 -0.032 -1.045) 1.165 7.350 ( -2.061 -3.795 0.723) 4.379 7.462 ( -2.987 0.384 -1.874) 3.547 7.591 ( -4.088 -1.664 -0.447) 4.436 7.695 ( -0.439 -5.942 0.348) 5.968 7.733 ( -0.916 -0.955 0.408) 1.384 7.774 ( -0.766 -2.065 -3.714) 4.318 7.836 ( -2.489 -0.488 -2.025) 3.245 7.933 ( -1.000 -1.765 4.167) 4.635 8.027 ( -0.036 3.879 4.896) 6.246 8.064 ( 1.583 0.643 -0.403) 1.755 8.117 ( -0.810 1.917 -3.613) 4.170 8.278 ( -0.406 1.977 -1.351) 2.429 8.393 ( 0.064 -0.452 1.410) 1.482 8.433 ( -2.374 -1.115 0.854) 2.758 8.559 ( -2.826 2.113 4.235) 5.512 8.642 ( -0.324 2.689 -7.814) 8.271 8.710 ( -1.787 -0.942 3.947) 4.434 8.784 ( 5.247 5.978 -0.759) 7.990 9.047 ( -2.843 -0.888 1.253) 3.231 9.137 ( 2.039 2.368 0.298) 3.140 9.266 ( 0.832 6.935 -2.365) 7.374 9.375 ( -4.366 -1.147 -1.891) 4.894 9.640 ( 4.433 -0.013 -2.133) 4.919 9.830 ( -2.572 3.876 1.060) 4.771 9.901 ( -1.330 0.844 -0.784) 1.760 9.950 ( -1.388 -2.791 -1.683) 3.542 10.034 ( 2.157 -0.783 2.825) 3.640 10.171 ( -3.231 3.141 -0.578) 4.543 10.242 ( -2.802 -4.582 -0.122) 5.372 10.344 ( -0.916 -0.423 0.771) 1.270 10.441 ( 6.589 0.551 1.998) 6.907 10.536 ( -2.507 0.560 -1.392) 2.922 10.625 ( -4.280 -0.373 2.440) 4.941 10.724 ( -3.570 -2.790 2.078) 4.984 10.795 ( -0.263 1.354 0.362) 1.426 10.896 ( 4.061 0.970 -2.719) 4.982 10.908 ( -0.574 -0.870 0.826) 1.330 11.099 ( 3.430 0.351 0.286) 3.460 11.212 ( -2.664 -4.353 -5.052) 7.181 11.253 ( -2.315 0.121 0.133) 2.322 11.316 ( -0.186 0.552 1.163) 1.301 11.426 ( 0.513 0.736 -1.595) 1.830 11.526 ( -0.534 -0.642 -0.447) 0.947 11.541 ( 0.571 -0.883 -1.635) 1.944 11.616 ( 1.636 -1.131 -0.305) 2.012 11.822 ( 1.768 -0.574 0.372) 1.896 11.876 ( 1.652 4.330 -0.156) 4.637 12.172 ( 1.403 3.961 0.956) 4.310 12.744 ( -2.822 -3.324 5.440) 6.972 12.905 ( 3.609 -4.580 2.791) 6.465 13.290 ( 0.709 5.625 -0.900) 5.740 13.504 ( 0.199 0.782 0.215) 0.835 14.396 ( 3.962 0.282 -0.999) 4.096 14.852 ( 5.028 -3.955 0.796) 6.446 15.229 ( 0.321 -6.169 -0.830) 6.233 15.333 ( -0.260 8.835 -0.801) 8.875 15.884 ( -6.185 4.231 1.085) 7.572 ======================= Grid point 140 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 14.790 12.955 3.498) 19.970 1.467 ( 1.337 -3.979 -10.449) 11.261 1.652 ( 0.779 -0.717 6.048) 6.140 1.773 ( -0.030 2.355 -3.060) 3.862 1.811 ( 3.106 -3.155 1.633) 4.719 2.099 ( -0.427 -7.913 0.822) 7.967 2.205 ( 0.998 8.555 -0.328) 8.619 2.248 ( -1.766 3.528 -0.401) 3.966 2.429 ( 2.984 -5.727 9.076) 11.139 2.611 ( 1.645 -1.036 4.660) 5.049 2.656 ( -2.488 0.954 0.658) 2.744 2.746 ( 4.104 1.387 0.094) 4.333 2.929 ( 2.239 0.754 0.360) 2.389 2.976 ( -1.407 -1.045 -6.078) 6.326 3.082 ( 0.159 2.698 2.938) 3.992 3.121 ( 0.610 -1.627 -3.681) 4.071 3.219 ( 8.128 -0.066 -2.803) 8.598 3.369 ( -3.380 1.467 0.025) 3.685 3.387 ( -2.717 -3.657 -2.418) 5.157 3.585 ( 1.278 -8.079 2.761) 8.633 3.673 ( 0.653 3.014 3.006) 4.307 3.726 ( 3.403 -5.286 -0.788) 6.336 3.871 ( 1.730 -8.735 -4.387) 9.927 3.917 ( -0.111 -6.233 -6.198) 8.791 4.028 ( -3.653 0.155 0.610) 3.707 4.060 ( 1.563 -2.209 6.004) 6.586 4.141 ( 4.251 -1.286 -0.160) 4.444 4.254 ( 1.941 -5.850 1.322) 6.304 4.305 ( 4.423 0.353 -0.479) 4.463 4.354 ( 3.484 -6.512 0.118) 7.386 4.446 ( -2.252 1.242 -0.767) 2.684 4.535 ( -2.654 -0.580 1.887) 3.308 4.589 ( 0.763 -5.013 -1.592) 5.315 4.723 ( 1.821 -4.547 -0.056) 4.899 4.798 ( 2.201 -2.738 0.033) 3.513 4.860 ( -0.149 -0.176 1.871) 1.885 4.922 ( -5.626 6.516 1.622) 8.760 5.003 ( -1.778 -1.366 -0.828) 2.390 5.051 ( -0.375 3.968 -7.049) 8.098 5.088 ( -0.777 4.432 0.897) 4.588 5.242 ( 1.472 0.385 1.086) 1.869 5.310 ( -3.437 0.761 -2.284) 4.196 5.358 ( -1.691 -0.919 -5.568) 5.892 5.403 ( -1.206 -4.868 3.712) 6.240 5.527 ( -0.508 3.130 -3.203) 4.507 5.548 ( 0.958 -4.801 0.752) 4.953 5.654 ( -1.537 -1.572 1.740) 2.804 5.691 ( 2.892 3.820 4.465) 6.549 5.727 ( 0.767 7.928 2.512) 8.352 5.774 ( 1.944 -1.930 -3.541) 4.477 5.829 ( 0.357 -3.121 3.826) 4.950 5.884 ( -0.837 -2.644 2.084) 3.469 6.039 ( 3.062 2.719 -2.490) 4.793 6.175 ( -2.894 1.640 6.691) 7.472 6.294 ( 0.820 6.361 -0.020) 6.414 6.345 ( 0.660 1.598 -5.995) 6.239 6.578 ( -2.184 1.104 -2.443) 3.458 6.602 ( -1.729 -3.992 -1.177) 4.506 6.717 ( -0.409 4.415 0.953) 4.535 6.806 ( -2.833 0.127 5.006) 5.753 6.890 ( 4.447 3.139 -3.380) 6.408 7.088 ( 2.703 -4.463 5.238) 7.393 7.160 ( -1.262 -0.707 1.600) 2.157 7.357 ( -2.649 -0.141 0.876) 2.793 7.448 ( -4.707 -4.611 -3.924) 7.669 7.542 ( -1.154 2.891 -0.066) 3.114 7.719 ( -0.196 -1.753 -4.086) 4.451 7.769 ( -0.031 -0.673 2.042) 2.150 7.787 ( -1.891 -0.986 -2.153) 3.030 7.819 ( -2.108 0.113 1.133) 2.396 7.993 ( -1.591 -3.475 1.254) 4.023 8.000 ( 0.011 -1.972 0.722) 2.100 8.068 ( 2.935 1.821 -0.845) 3.556 8.102 ( 0.827 -1.234 0.069) 1.487 8.233 ( 0.613 1.162 -1.696) 2.145 8.346 ( -6.211 5.070 1.640) 8.184 8.417 ( -2.045 -1.404 -0.091) 2.483 8.471 ( -1.843 5.847 -5.300) 8.104 8.605 ( -1.627 1.819 0.761) 2.556 8.689 ( 3.034 1.324 -2.171) 3.958 8.808 ( 5.113 -0.439 4.091) 6.562 9.027 ( -2.091 2.591 3.962) 5.175 9.128 ( 0.029 0.814 -0.296) 0.867 9.167 ( 1.526 4.159 -1.578) 4.703 9.351 ( -3.382 -2.461 -2.424) 4.834 9.648 ( 3.854 1.272 -3.055) 5.080 9.816 ( -0.791 -1.196 0.959) 1.725 9.892 ( 0.680 -0.274 1.276) 1.472 9.971 ( -1.526 -2.805 -1.957) 3.745 10.048 ( -2.236 2.244 2.676) 4.146 10.123 ( -0.048 -0.161 0.208) 0.267 10.274 ( -1.436 -0.204 -0.087) 1.453 10.348 ( -1.060 -3.665 -0.432) 3.840 10.484 ( -4.142 1.212 -0.072) 4.317 10.526 ( 3.538 -1.008 4.088) 5.500 10.626 ( 2.437 -0.543 0.313) 2.516 10.744 ( 0.516 0.815 2.572) 2.747 10.779 ( -2.068 -0.284 -0.121) 2.091 10.853 ( -1.237 1.619 -0.609) 2.126 10.961 ( 0.853 -2.853 -1.521) 3.344 11.089 ( -1.499 1.123 -1.160) 2.204 11.185 ( -3.239 1.024 0.611) 3.451 11.248 ( 1.912 -1.232 -4.243) 4.814 11.348 ( 0.101 -1.688 0.863) 1.899 11.409 ( -0.421 0.163 -0.213) 0.500 11.526 ( 0.024 -0.695 -2.933) 3.014 11.559 ( 1.251 -0.918 -0.375) 1.596 11.647 ( 1.393 -1.483 -0.937) 2.240 11.813 ( 1.173 4.671 -0.028) 4.816 11.849 ( 1.629 -0.451 0.458) 1.751 12.132 ( 0.473 2.602 0.232) 2.655 12.799 ( -2.207 -2.418 5.103) 6.063 12.995 ( 1.261 -0.888 4.720) 4.966 13.212 ( 2.026 3.852 -2.392) 4.967 13.493 ( -0.055 0.794 0.404) 0.893 14.408 ( 1.509 0.275 -1.075) 1.873 14.960 ( 3.914 -3.393 0.675) 5.224 15.183 ( -0.406 7.310 -2.335) 7.685 15.307 ( 0.415 -3.459 0.562) 3.528 15.797 ( -3.873 2.023 0.559) 4.405 ======================= Grid point 141 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 6.798 -2.695 0.722) 7.348 1.416 ( -3.266 5.245 -1.312) 6.316 1.668 ( 1.367 -0.279 2.122) 2.539 1.716 ( -6.018 2.726 0.906) 6.669 1.896 ( 2.549 -3.636 -4.005) 5.980 2.100 ( 1.495 4.625 1.646) 5.132 2.176 ( -0.419 1.799 1.520) 2.392 2.199 ( -1.050 -6.543 -2.209) 6.986 2.593 ( -2.325 -3.093 8.745) 9.562 2.612 ( -1.738 2.899 4.557) 5.674 2.698 ( 3.255 -5.827 2.952) 7.298 2.742 ( -3.604 1.218 2.053) 4.323 2.882 ( -4.618 3.593 -2.515) 6.368 2.979 ( 1.155 0.632 -2.605) 2.918 2.998 ( 1.776 5.239 -4.217) 6.956 3.159 ( 0.793 -2.512 -0.150) 2.639 3.258 ( -2.633 4.372 2.226) 5.568 3.309 ( 5.545 -2.468 -0.983) 6.148 3.401 ( -0.627 -0.534 -4.299) 4.377 3.628 ( 1.115 3.316 2.062) 4.061 3.718 ( 1.361 -2.686 3.739) 4.800 3.782 ( -0.966 -1.602 -4.065) 4.475 3.897 ( -1.038 3.582 1.642) 4.075 3.938 ( -0.639 -2.154 -7.397) 7.731 4.080 ( -1.479 -2.208 1.068) 2.864 4.109 ( 2.230 -5.537 -3.792) 7.072 4.156 ( 2.547 1.539 1.865) 3.512 4.294 ( -0.041 2.464 -2.162) 3.279 4.372 ( 0.616 -3.073 1.709) 3.570 4.441 ( 1.484 -0.351 -0.728) 1.690 4.454 ( 0.170 -1.238 1.191) 1.726 4.571 ( -1.519 -5.151 4.964) 7.313 4.614 ( 0.731 1.497 -3.204) 3.611 4.682 ( -0.989 7.439 -1.938) 7.751 4.789 ( -0.670 1.116 1.033) 1.662 4.901 ( 0.543 -3.227 3.998) 5.167 4.947 ( 0.659 0.511 -4.959) 5.029 4.956 ( 0.598 -4.836 2.407) 5.434 4.980 ( -2.550 7.507 0.868) 7.975 5.043 ( 1.470 -4.258 -2.562) 5.182 5.261 ( 1.883 0.020 0.220) 1.896 5.276 ( -1.967 0.923 -0.203) 2.182 5.313 ( -0.593 -0.298 -4.216) 4.268 5.405 ( 1.481 1.575 -1.478) 2.618 5.460 ( -0.575 0.156 -1.522) 1.635 5.639 ( 0.256 1.097 2.337) 2.594 5.657 ( 3.444 3.570 1.493) 5.181 5.675 ( -1.271 -0.372 -0.682) 1.489 5.706 ( 0.521 -3.361 0.666) 3.466 5.817 ( -1.278 -1.607 0.798) 2.203 5.880 ( 1.611 -1.346 2.005) 2.903 5.970 ( 0.121 -0.403 0.834) 0.934 6.016 ( -0.381 -1.550 -2.997) 3.395 6.158 ( 1.425 1.657 6.530) 6.886 6.235 ( 0.283 -0.008 1.154) 1.188 6.280 ( -0.823 0.806 -5.264) 5.389 6.530 ( -2.176 0.339 -4.376) 4.899 6.596 ( 0.125 2.393 3.026) 3.859 6.681 ( -1.165 1.916 2.851) 3.627 6.821 ( -0.668 -1.771 -0.492) 1.956 6.903 ( 3.290 -1.263 -1.532) 3.843 7.152 ( 0.515 -1.460 1.489) 2.148 7.192 ( -0.166 -0.345 2.645) 2.673 7.331 ( -1.191 1.947 1.753) 2.878 7.473 ( 0.422 -2.934 -0.526) 3.010 7.514 ( -0.707 0.662 -1.576) 1.850 7.693 ( 0.869 5.075 -2.042) 5.539 7.717 ( -3.445 -2.749 -2.106) 4.884 7.789 ( 0.063 -0.415 0.940) 1.029 7.883 ( 0.383 -3.432 4.153) 5.401 7.959 ( -1.940 3.722 -0.244) 4.205 8.031 ( 1.064 4.071 -0.511) 4.239 8.099 ( 0.139 -6.035 -2.505) 6.536 8.137 ( 0.425 -1.436 -2.346) 2.783 8.220 ( -2.455 2.915 2.452) 4.532 8.270 ( 2.086 -3.068 1.456) 3.986 8.329 ( -1.785 5.242 -3.600) 6.605 8.446 ( -1.141 -3.536 -0.329) 3.730 8.545 ( 0.358 2.274 0.949) 2.490 8.707 ( 1.007 -0.167 -2.526) 2.725 8.879 ( 2.072 -1.198 1.509) 2.829 9.000 ( 3.147 2.740 4.736) 6.312 9.100 ( -1.603 0.423 0.226) 1.674 9.153 ( 1.302 -0.284 -2.148) 2.528 9.355 ( -2.687 -2.356 -1.909) 4.051 9.637 ( 1.435 0.816 -2.500) 2.996 9.825 ( -0.177 0.543 1.018) 1.167 9.918 ( 0.130 0.597 2.178) 2.262 9.982 ( -0.630 -1.126 -2.079) 2.447 10.012 ( -1.110 -0.536 1.131) 1.673 10.133 ( -0.377 0.367 0.969) 1.103 10.262 ( -0.801 -0.307 0.416) 0.954 10.397 ( -0.541 0.447 -0.128) 0.713 10.427 ( 0.591 -0.121 -0.270) 0.662 10.597 ( -3.054 -4.802 3.071) 6.467 10.670 ( 7.648 1.976 -1.239) 7.996 10.738 ( -1.933 0.529 -0.870) 2.185 10.754 ( 0.735 2.054 1.780) 2.815 10.833 ( -3.201 -1.282 1.787) 3.883 10.978 ( 1.217 0.758 -2.887) 3.224 11.050 ( -1.573 -0.175 -0.558) 1.678 11.164 ( -3.618 -0.201 2.591) 4.454 11.252 ( 3.155 0.171 -3.903) 5.021 11.358 ( -0.648 0.353 0.533) 0.910 11.422 ( -0.245 -1.578 0.736) 1.758 11.512 ( 0.288 0.075 -3.428) 3.441 11.575 ( -0.225 -0.762 -0.875) 1.182 11.661 ( 1.852 1.239 -1.158) 2.511 11.773 ( -0.034 0.410 0.768) 0.871 11.865 ( 0.152 -0.295 0.005) 0.332 12.106 ( -0.522 0.900 0.817) 1.323 12.843 ( -0.982 -1.578 2.980) 3.513 13.011 ( -2.116 2.257 6.328) 7.044 13.193 ( 3.735 -1.025 -4.325) 5.805 13.488 ( -0.174 -0.153 0.312) 0.388 14.404 ( -0.599 -0.025 -0.603) 0.851 15.015 ( 0.054 -0.065 0.320) 0.331 15.092 ( 0.137 1.815 -0.670) 1.940 15.357 ( 2.268 -1.384 -1.099) 2.875 15.757 ( -1.327 0.518 0.966) 1.721 ======================= Grid point 142 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -7.197 -8.308 -7.928) 13.552 1.245 ( -6.490 11.714 8.615) 15.923 1.630 ( -5.154 3.400 9.949) 11.709 1.731 ( 1.575 -3.543 -1.810) 4.279 1.907 ( -0.477 -2.539 -6.460) 6.957 2.076 ( -0.550 1.440 1.665) 2.269 2.220 ( 1.245 -3.334 0.925) 3.677 2.240 ( -1.791 1.244 -0.962) 2.383 2.564 ( -9.693 5.639 2.508) 11.491 2.597 ( -7.399 4.289 0.559) 8.570 2.656 ( -2.808 -2.276 7.552) 8.372 2.746 ( -2.319 0.075 -1.767) 2.916 2.851 ( -0.376 0.970 3.299) 3.459 2.926 ( 0.844 -1.414 0.694) 1.787 2.979 ( 1.298 -0.879 0.299) 1.596 3.181 ( -0.508 0.852 0.166) 1.006 3.204 ( -1.091 -0.644 -3.501) 3.723 3.324 ( 0.346 4.734 0.379) 4.762 3.429 ( 6.517 -2.318 -2.451) 7.338 3.590 ( 1.178 4.799 3.570) 6.096 3.704 ( -2.138 4.560 -2.271) 5.525 3.772 ( -2.382 -2.734 -2.234) 4.259 3.810 ( -1.953 7.538 2.441) 8.161 3.899 ( 1.540 2.561 -6.410) 7.072 4.074 ( 3.618 0.801 -2.002) 4.212 4.123 ( -2.080 2.898 0.555) 3.611 4.163 ( -2.526 1.690 -2.745) 4.095 4.287 ( -1.767 -2.649 -1.105) 3.370 4.339 ( -0.174 7.152 -3.129) 7.808 4.371 ( -1.829 4.904 -2.587) 5.838 4.436 ( 0.919 0.399 0.750) 1.251 4.547 ( 0.224 1.018 0.283) 1.080 4.610 ( -1.911 3.223 -2.068) 4.280 4.649 ( 0.365 2.090 3.107) 3.762 4.800 ( -1.230 -1.181 2.066) 2.678 4.904 ( -0.646 -2.417 0.770) 2.618 4.940 ( -1.153 3.563 -2.035) 4.262 4.968 ( 3.217 -4.054 -0.622) 5.212 4.996 ( 4.085 -1.625 0.074) 4.396 5.134 ( 2.966 -2.328 -0.866) 3.869 5.260 ( 0.483 1.226 1.226) 1.800 5.276 ( 1.827 2.275 0.119) 2.921 5.298 ( -1.810 -4.066 -3.370) 5.583 5.415 ( 3.606 3.208 3.189) 5.785 5.495 ( 1.148 -5.685 -2.696) 6.396 5.596 ( -0.964 2.798 -1.414) 3.280 5.635 ( 3.610 2.953 1.294) 4.840 5.667 ( -0.018 1.220 3.676) 3.874 5.761 ( -1.002 -3.403 -1.798) 3.977 5.791 ( -3.029 1.433 -0.563) 3.397 5.916 ( 0.611 -0.766 1.183) 1.536 5.925 ( 1.363 0.436 -3.664) 3.934 6.044 ( -2.120 -3.783 -4.732) 6.419 6.192 ( 0.236 0.496 6.266) 6.290 6.233 ( -1.618 -1.172 1.682) 2.612 6.349 ( 1.799 -3.848 -3.207) 5.323 6.502 ( -0.994 -2.159 4.028) 4.677 6.564 ( 1.003 3.305 2.029) 4.006 6.694 ( -0.403 -1.945 2.630) 3.296 6.851 ( 1.265 -3.307 -1.157) 3.724 6.930 ( -1.170 -2.426 -4.803) 5.506 7.151 ( -0.059 2.736 -1.610) 3.175 7.220 ( 0.722 -1.773 0.338) 1.944 7.336 ( 5.218 2.266 5.546) 7.945 7.435 ( 0.797 5.712 -4.492) 7.310 7.515 ( 2.218 -0.651 0.390) 2.344 7.624 ( -1.630 1.321 -0.898) 2.282 7.752 ( -3.603 -1.014 2.906) 4.739 7.793 ( 0.038 1.813 -0.232) 1.828 7.846 ( -1.092 1.565 -0.282) 1.929 7.976 ( -0.825 0.582 0.087) 1.014 7.979 ( 1.389 -0.257 2.428) 2.809 8.084 ( -0.341 1.621 0.574) 1.753 8.138 ( -0.676 -0.677 -2.207) 2.405 8.219 ( 2.941 3.444 -2.246) 5.055 8.329 ( 5.075 -6.162 2.714) 8.432 8.373 ( 1.245 -4.816 3.319) 5.979 8.469 ( 1.209 -0.844 -3.588) 3.879 8.595 ( -2.341 -6.559 3.790) 7.929 8.666 ( -1.598 2.310 -1.820) 3.347 8.882 ( 1.363 1.267 -3.190) 3.694 9.068 ( 5.308 1.238 6.645) 8.594 9.111 ( -1.504 -4.520 1.189) 4.909 9.150 ( 2.179 -0.340 -5.069) 5.528 9.343 ( -3.320 -1.063 -1.605) 3.838 9.619 ( -1.135 0.041 -0.961) 1.488 9.796 ( -0.935 3.360 1.236) 3.700 9.911 ( 0.540 1.000 1.551) 1.923 9.967 ( 0.161 0.269 -1.984) 2.008 10.071 ( 1.669 -3.985 0.751) 4.385 10.111 ( -1.460 1.903 1.163) 2.666 10.272 ( -0.652 -0.869 0.014) 1.087 10.346 ( 0.670 2.977 0.002) 3.051 10.478 ( 3.715 -1.047 0.323) 3.873 10.618 ( -2.606 3.472 -4.487) 6.243 10.655 ( -3.563 -4.990 -1.227) 6.253 10.730 ( 2.215 1.095 2.003) 3.181 10.768 ( 1.383 0.126 3.452) 3.720 10.840 ( -0.949 -0.449 -0.038) 1.050 10.937 ( 2.055 3.399 -1.175) 4.142 11.071 ( 2.474 -1.125 1.237) 2.986 11.141 ( -5.475 0.404 2.903) 6.210 11.257 ( 2.958 -0.395 -3.215) 4.387 11.345 ( -1.083 0.549 0.666) 1.385 11.451 ( 1.283 -1.436 -1.526) 2.458 11.486 ( 0.446 1.420 -1.324) 1.992 11.568 ( -1.825 -0.537 -1.283) 2.295 11.637 ( 1.019 2.246 -0.248) 2.479 11.803 ( -0.661 -3.037 1.035) 3.276 11.860 ( -1.595 -0.176 -0.586) 1.709 12.109 ( -1.450 -1.294 2.163) 2.908 12.856 ( 1.068 1.131 -0.988) 1.843 12.992 ( -4.979 0.821 6.486) 8.218 13.240 ( 3.408 -3.924 -4.762) 7.049 13.497 ( -0.167 -0.962 -0.095) 0.981 14.393 ( -2.610 -0.519 0.152) 2.665 14.967 ( -3.375 3.299 0.063) 4.720 15.124 ( 0.595 -3.747 1.849) 4.221 15.369 ( 3.233 0.867 -3.997) 5.214 15.776 ( 1.904 -1.338 2.445) 3.375 ======================= Grid point 143 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -13.442 -8.609 2.137) 16.105 1.081 ( -6.389 11.832 16.447) 21.244 1.639 ( -1.928 -0.717 5.131) 5.528 1.749 ( -1.207 -1.176 -6.876) 7.079 1.926 ( -0.740 -0.915 -1.455) 1.871 2.006 ( -10.891 13.226 3.602) 17.508 2.045 ( -6.544 1.849 4.637) 8.231 2.270 ( -0.276 0.675 1.219) 1.420 2.407 ( -3.832 1.624 -2.012) 4.623 2.518 ( -6.629 4.643 3.287) 8.735 2.728 ( -5.309 -3.290 0.364) 6.257 2.734 ( 0.148 -2.992 0.643) 3.064 2.844 ( 3.176 0.815 4.050) 5.211 2.998 ( -0.669 -3.130 2.501) 4.062 3.052 ( 1.194 -4.618 2.868) 5.565 3.139 ( -0.787 1.394 -0.731) 1.760 3.180 ( 1.170 0.778 -5.000) 5.194 3.288 ( -0.333 -1.870 -1.798) 2.616 3.440 ( 3.245 5.105 -2.842) 6.683 3.551 ( 0.269 4.046 0.539) 4.091 3.590 ( -0.973 5.273 0.835) 5.427 3.679 ( 0.056 6.482 -1.703) 6.702 3.761 ( -2.119 -0.178 -2.673) 3.416 3.832 ( 2.394 3.809 -3.738) 5.849 3.998 ( -3.366 7.450 0.253) 8.179 4.057 ( 0.182 5.326 0.029) 5.329 4.093 ( -1.729 3.134 -3.688) 5.139 4.156 ( -6.273 2.268 -0.217) 6.674 4.265 ( 0.619 2.512 -4.664) 5.333 4.348 ( -1.270 -1.665 -5.864) 6.227 4.425 ( 2.902 4.875 0.235) 5.678 4.511 ( 0.003 3.813 -1.007) 3.943 4.579 ( -0.332 -3.030 1.886) 3.584 4.627 ( 0.814 2.354 -0.627) 2.568 4.757 ( -2.074 5.108 -4.001) 6.812 4.823 ( -1.777 3.080 0.353) 3.574 4.987 ( -1.141 -1.294 2.660) 3.170 5.035 ( 3.518 0.211 -0.248) 3.533 5.102 ( 3.465 0.021 -1.102) 3.636 5.147 ( -0.442 -5.714 1.577) 5.944 5.208 ( 1.727 6.890 0.708) 7.138 5.269 ( -0.536 -2.507 1.370) 2.907 5.314 ( 3.783 1.629 0.525) 4.152 5.418 ( 3.456 1.266 -1.281) 3.897 5.528 ( -2.111 -0.303 0.532) 2.199 5.576 ( 1.895 -2.906 -4.110) 5.378 5.677 ( 0.731 0.209 2.944) 3.041 5.695 ( 3.294 -1.315 2.104) 4.124 5.752 ( -3.275 -1.148 -0.509) 3.508 5.787 ( -1.979 -3.312 -1.141) 4.024 5.885 ( 0.882 1.906 -0.433) 2.144 6.012 ( 0.441 -7.890 -2.767) 8.373 6.062 ( -1.434 -4.900 -2.998) 5.920 6.181 ( -1.821 4.732 -0.580) 5.103 6.247 ( 1.762 1.567 4.506) 5.085 6.318 ( -3.092 3.366 3.857) 5.981 6.584 ( 3.647 -3.112 -2.740) 5.522 6.625 ( 1.723 -5.836 3.287) 6.916 6.751 ( -2.578 -3.245 4.274) 5.953 6.899 ( -0.667 -0.116 -6.384) 6.420 6.921 ( 1.131 -3.777 -0.023) 3.942 7.077 ( -0.892 2.784 -2.834) 4.072 7.214 ( 0.820 0.349 -7.456) 7.509 7.337 ( 2.613 5.711 1.179) 6.390 7.409 ( 6.061 0.625 5.732) 8.365 7.532 ( 1.992 2.375 2.878) 4.230 7.623 ( -0.487 -0.424 2.596) 2.675 7.729 ( -0.705 0.498 1.921) 2.107 7.739 ( 1.159 4.200 -0.362) 4.372 7.796 ( -2.103 3.473 0.725) 4.125 7.982 ( -0.421 -0.827 -0.380) 1.002 8.044 ( 1.621 -1.517 1.896) 2.919 8.083 ( -2.182 -3.923 -1.030) 4.606 8.131 ( 2.048 -1.451 -1.741) 3.054 8.231 ( 4.058 0.315 1.503) 4.339 8.439 ( 0.511 0.021 -1.926) 1.993 8.455 ( 0.145 -2.442 -2.386) 3.418 8.490 ( 2.876 -2.199 5.152) 6.296 8.631 ( 0.010 -2.351 -1.490) 2.783 8.713 ( -2.661 -6.362 5.337) 8.721 8.836 ( 0.916 1.914 -6.359) 6.704 9.106 ( 0.577 2.315 -3.633) 4.346 9.140 ( 5.945 -0.490 5.317) 7.991 9.211 ( -1.205 -6.275 -1.464) 6.555 9.335 ( 0.928 0.092 1.960) 2.170 9.618 ( -2.869 -2.579 -0.079) 3.859 9.749 ( -0.596 1.901 3.967) 4.439 9.904 ( 1.577 2.412 1.594) 3.294 9.973 ( 1.959 -1.549 -3.159) 4.027 10.070 ( -2.262 1.028 0.395) 2.516 10.156 ( 2.176 -3.594 0.461) 4.226 10.246 ( 2.064 4.201 -0.424) 4.700 10.347 ( 0.119 -1.957 0.283) 1.981 10.484 ( -6.608 0.918 -1.949) 6.950 10.541 ( 3.430 0.603 -1.607) 3.836 10.666 ( 0.055 0.718 -0.789) 1.069 10.754 ( 2.878 -0.191 0.122) 2.887 10.792 ( -2.367 -0.328 2.524) 3.476 10.825 ( -0.264 0.834 -0.211) 0.900 10.915 ( 3.572 1.840 0.347) 4.034 11.086 ( -7.367 1.783 2.809) 8.084 11.130 ( 6.296 -0.011 1.800) 6.549 11.269 ( 0.978 0.085 -1.310) 1.637 11.342 ( -0.023 -1.873 -1.294) 2.277 11.442 ( 1.234 1.270 -2.551) 3.106 11.496 ( 2.587 -0.344 0.677) 2.696 11.552 ( -0.873 -0.313 -1.804) 2.028 11.611 ( -1.071 0.956 0.093) 1.438 11.832 ( -2.023 0.131 -0.325) 2.053 11.860 ( -1.589 -3.232 1.139) 3.777 12.147 ( -2.385 -3.428 3.116) 5.211 12.817 ( 1.895 3.648 -2.160) 4.644 12.956 ( -7.448 1.124 0.548) 7.552 13.308 ( 1.834 -4.872 -3.472) 6.257 13.508 ( -0.250 -0.661 -0.338) 0.784 14.375 ( -4.708 -0.812 0.657) 4.823 14.867 ( -5.116 3.910 -0.628) 6.469 15.191 ( 0.748 0.630 1.685) 1.948 15.370 ( 2.199 -3.245 -3.351) 5.156 15.864 ( 5.416 -3.654 3.169) 7.262 ======================= Grid point 144 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -6.148 -6.397 20.592) 22.422 0.981 ( -4.718 7.810 20.632) 22.560 1.561 ( -3.369 2.122 -13.950) 14.507 1.648 ( -4.388 4.028 -13.329) 14.599 1.775 ( -8.291 8.487 28.772) 31.122 1.977 ( -4.307 -0.248 1.503) 4.569 2.032 ( -1.636 -4.193 -0.654) 4.548 2.245 ( 1.436 2.447 1.029) 3.018 2.332 ( -2.546 6.240 -1.190) 6.844 2.405 ( -3.215 1.860 -0.087) 3.715 2.745 ( -2.450 -2.064 0.608) 3.261 2.757 ( 0.614 -0.615 -2.000) 2.181 2.869 ( 0.607 1.626 1.339) 2.192 3.047 ( -6.186 -4.278 7.280) 10.467 3.122 ( -0.727 -2.668 1.649) 3.220 3.149 ( 2.670 -1.518 -4.475) 5.428 3.216 ( 2.917 -4.295 -1.736) 5.475 3.316 ( -0.238 4.250 -4.186) 5.970 3.345 ( 5.179 -3.037 -6.705) 9.000 3.465 ( -1.385 5.132 1.254) 5.461 3.537 ( 1.090 1.613 -1.425) 2.412 3.632 ( 2.242 2.247 3.662) 4.846 3.718 ( -1.787 1.537 -1.025) 2.570 3.765 ( 2.055 4.032 -2.929) 5.390 3.867 ( -2.038 5.702 -0.410) 6.069 3.905 ( -1.546 9.415 -0.884) 9.581 4.067 ( -1.474 -3.332 -1.678) 4.011 4.116 ( -6.829 -3.119 -0.844) 7.555 4.227 ( 1.005 0.383 -6.699) 6.785 4.269 ( -1.459 3.614 -5.220) 6.515 4.342 ( 0.071 6.378 -0.514) 6.399 4.482 ( 3.683 1.940 -0.898) 4.259 4.539 ( -0.354 5.701 -1.896) 6.018 4.644 ( 1.555 -1.391 0.076) 2.087 4.695 ( -1.827 -3.224 -2.620) 4.538 4.725 ( -3.651 6.036 -0.479) 7.070 4.922 ( -2.393 5.430 -0.776) 5.984 5.046 ( 2.021 2.423 1.336) 3.426 5.122 ( 3.494 2.926 2.379) 5.141 5.153 ( 2.405 -0.998 4.450) 5.155 5.233 ( 2.688 -1.868 -2.265) 3.980 5.311 ( -0.272 -2.057 -0.993) 2.300 5.418 ( 3.784 -4.068 3.337) 6.481 5.465 ( 2.270 -6.822 3.308) 7.914 5.540 ( -2.122 -2.854 2.380) 4.279 5.621 ( 1.890 -3.291 -3.090) 4.894 5.651 ( -2.876 1.859 -1.358) 3.683 5.703 ( -3.629 -1.378 -2.148) 4.437 5.762 ( 1.261 1.170 1.659) 2.390 5.796 ( -1.324 1.361 -0.246) 1.915 5.921 ( 2.636 -4.076 0.804) 4.920 5.981 ( -1.143 11.221 -1.583) 11.389 6.095 ( -2.965 -0.211 -2.668) 3.994 6.154 ( 2.194 -3.107 -0.641) 3.858 6.208 ( -2.644 1.040 1.538) 3.230 6.315 ( 0.389 -0.546 1.864) 1.981 6.636 ( 1.286 -0.314 -3.443) 3.688 6.686 ( -0.771 -3.422 -2.296) 4.193 6.775 ( -2.831 0.667 5.433) 6.163 6.878 ( 0.985 0.325 0.668) 1.234 6.992 ( 0.815 -3.175 -0.372) 3.298 7.044 ( 0.958 -1.091 -3.876) 4.139 7.213 ( 1.446 -4.636 -2.508) 5.466 7.297 ( -0.235 2.573 2.352) 3.494 7.464 ( 4.265 2.589 2.859) 5.750 7.507 ( 2.097 4.960 2.931) 6.131 7.606 ( -0.622 2.749 0.617) 2.885 7.692 ( -1.903 1.943 -0.046) 2.721 7.739 ( 2.727 -0.761 2.955) 4.092 7.818 ( 2.265 -2.124 6.178) 6.915 7.948 ( -0.067 2.829 -0.951) 2.985 8.059 ( -6.610 -1.492 -3.649) 7.696 8.130 ( 3.486 -3.450 0.161) 4.907 8.194 ( 2.830 -2.394 -1.085) 3.862 8.260 ( 1.080 0.912 0.747) 1.599 8.409 ( -2.766 -0.461 -2.630) 3.845 8.433 ( -1.703 1.164 -2.220) 3.030 8.559 ( -0.334 -1.368 5.692) 5.863 8.703 ( 2.906 -2.829 -0.423) 4.077 8.769 ( -0.235 -0.714 -3.648) 3.724 8.809 ( 1.704 -1.465 0.760) 2.372 9.047 ( -1.248 1.724 -2.039) 2.947 9.192 ( 1.414 -1.347 -3.798) 4.271 9.326 ( 2.490 -4.186 3.481) 5.986 9.362 ( 3.603 0.478 2.339) 4.322 9.620 ( -0.525 -0.151 -1.328) 1.436 9.829 ( 1.452 -5.042 8.276) 9.799 9.895 ( 0.447 1.148 1.681) 2.084 9.977 ( 1.756 1.345 -1.750) 2.821 10.065 ( 0.081 -2.817 -3.477) 4.476 10.169 ( 3.864 4.452 -0.924) 5.967 10.276 ( 1.149 -3.972 1.928) 4.562 10.357 ( 0.440 -1.082 -2.478) 2.740 10.429 ( -6.146 -4.522 0.284) 7.636 10.566 ( 2.237 -0.087 -0.149) 2.244 10.644 ( 0.592 2.516 1.950) 3.238 10.742 ( 2.019 4.551 -2.186) 5.437 10.784 ( 1.051 1.067 1.842) 2.374 10.823 ( -0.561 -0.564 0.536) 0.959 10.936 ( -1.669 -1.195 -0.258) 2.069 11.002 ( -4.571 1.954 1.845) 5.302 11.199 ( 7.301 0.338 1.079) 7.388 11.245 ( -0.335 1.935 -0.520) 2.032 11.395 ( 0.776 -4.649 -1.421) 4.923 11.425 ( 0.524 0.363 -1.016) 1.199 11.523 ( 3.314 0.736 -0.514) 3.433 11.546 ( 2.280 0.131 -1.895) 2.968 11.586 ( -2.933 0.086 -0.208) 2.941 11.806 ( -1.238 0.430 -0.426) 1.378 11.904 ( -0.973 -2.257 1.782) 3.036 12.214 ( -2.912 -5.654 3.457) 7.239 12.757 ( -1.223 4.572 -4.064) 6.238 12.793 ( -8.989 6.616 -2.661) 11.474 13.377 ( 0.274 -4.112 -0.985) 4.237 13.506 ( -0.466 0.482 0.117) 0.681 14.338 ( -5.237 0.282 1.006) 5.341 14.774 ( -3.199 1.971 -0.427) 3.782 15.121 ( 0.330 6.436 -0.668) 6.479 15.455 ( -0.029 -5.131 -0.729) 5.182 16.016 ( 5.610 -6.108 1.488) 8.426 ======================= Grid point 146 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 6.413 -0.000 -16.529) 17.730 1.284 ( 11.324 -0.000 -19.498) 22.548 1.372 ( 5.514 -0.000 16.420) 17.321 1.444 ( 9.797 -0.000 18.198) 20.668 1.997 ( -0.328 0.000 4.706) 4.717 2.046 ( 1.908 -0.000 -0.743) 2.047 2.111 ( 6.961 -0.000 -7.904) 10.532 2.214 ( 5.081 -0.000 10.935) 12.057 2.287 ( 2.290 -0.000 -2.982) 3.760 2.400 ( 2.584 -0.000 0.180) 2.590 2.719 ( 1.807 -0.000 -3.644) 4.068 2.839 ( 5.622 -0.000 -1.746) 5.887 2.847 ( -0.856 0.000 -0.770) 1.151 3.003 ( 4.092 -0.000 0.504) 4.123 3.061 ( -9.555 0.000 8.242) 12.619 3.163 ( -3.639 0.000 1.987) 4.146 3.237 ( -1.846 0.000 -0.100) 1.849 3.276 ( 1.050 -0.000 0.565) 1.193 3.444 ( 1.771 -0.000 3.088) 3.560 3.499 ( -1.620 0.000 -1.583) 2.265 3.505 ( 11.512 -0.000 -15.324) 19.167 3.668 ( 1.388 -0.000 0.573) 1.501 3.674 ( -2.644 0.000 -3.687) 4.537 3.714 ( -0.384 0.000 1.419) 1.470 3.824 ( 2.032 -0.000 -0.128) 2.036 3.850 ( 5.179 -0.000 0.737) 5.231 4.098 ( 5.548 -0.000 5.834) 8.051 4.151 ( 2.498 -0.000 1.191) 2.767 4.190 ( 0.996 -0.000 -0.230) 1.022 4.203 ( 3.046 -0.000 1.531) 3.409 4.268 ( -0.622 0.000 0.564) 0.839 4.424 ( -4.460 0.000 1.066) 4.585 4.483 ( 2.937 -0.000 -2.964) 4.173 4.655 ( 3.171 -0.000 -2.278) 3.905 4.729 ( 4.779 -0.000 0.169) 4.782 4.746 ( 3.687 -0.000 2.960) 4.729 4.842 ( 0.830 -0.000 -2.393) 2.533 5.025 ( -7.317 0.000 -1.194) 7.414 5.070 ( 0.065 -0.000 -1.663) 1.664 5.228 ( -2.239 0.000 -0.707) 2.348 5.243 ( -5.165 0.000 -6.880) 8.603 5.311 ( 0.873 -0.000 3.835) 3.933 5.444 ( -4.638 0.000 -4.763) 6.648 5.536 ( -1.899 0.000 4.856) 5.214 5.634 ( -5.184 0.000 -1.892) 5.519 5.646 ( 2.674 -0.000 0.387) 2.702 5.654 ( -4.205 0.000 -1.705) 4.538 5.668 ( 4.089 -0.000 3.624) 5.464 5.703 ( 0.374 -0.000 0.810) 0.892 5.802 ( -0.007 0.000 2.806) 2.806 5.811 ( 3.328 -0.000 2.402) 4.104 6.007 ( -2.905 0.000 -4.599) 5.440 6.038 ( 5.438 -0.000 2.268) 5.892 6.174 ( 0.674 -0.000 -0.620) 0.916 6.239 ( 0.743 -0.000 3.691) 3.765 6.281 ( -3.728 0.000 1.376) 3.974 6.571 ( -2.965 0.000 1.076) 3.154 6.739 ( -0.891 0.000 2.091) 2.273 6.750 ( -3.480 0.000 5.094) 6.169 6.889 ( -0.664 0.000 -1.997) 2.104 6.984 ( -1.346 0.000 -0.644) 1.493 7.041 ( -0.051 0.000 -3.956) 3.956 7.269 ( -2.037 0.000 2.867) 3.517 7.316 ( 1.756 -0.000 -1.562) 2.350 7.397 ( -3.007 0.000 -1.333) 3.290 7.472 ( -3.790 0.000 -2.252) 4.408 7.591 ( 0.824 -0.000 -0.013) 0.824 7.699 ( 2.630 -0.000 0.190) 2.637 7.774 ( -2.584 0.000 -3.104) 4.039 7.879 ( -1.182 0.000 0.665) 1.357 7.976 ( -2.969 0.000 -10.005) 10.436 7.996 ( -0.046 0.000 9.032) 9.032 8.118 ( -0.114 0.000 11.028) 11.029 8.131 ( -3.271 0.000 -2.800) 4.306 8.244 ( -3.094 0.000 -1.877) 3.619 8.399 ( -0.717 0.000 -1.138) 1.345 8.419 ( 3.327 -0.000 3.910) 5.134 8.608 ( -3.054 0.000 4.137) 5.142 8.704 ( -2.022 0.000 -6.126) 6.451 8.721 ( -2.746 0.000 1.078) 2.950 8.869 ( 4.327 -0.000 -0.960) 4.433 8.999 ( -2.468 0.000 0.909) 2.630 9.189 ( 2.223 -0.000 -1.501) 2.683 9.354 ( -1.424 0.000 -0.705) 1.589 9.418 ( 0.887 -0.000 -3.100) 3.225 9.608 ( -0.158 0.000 -0.389) 0.420 9.886 ( -5.337 0.000 1.845) 5.647 9.899 ( 0.139 -0.000 0.192) 0.237 9.984 ( -2.602 0.000 -6.560) 7.058 10.049 ( 3.166 -0.000 1.961) 3.724 10.085 ( -4.838 0.000 -0.767) 4.899 10.293 ( 3.247 -0.000 1.635) 3.635 10.352 ( -8.174 0.000 -1.688) 8.347 10.506 ( 0.749 -0.000 1.370) 1.562 10.568 ( 0.326 -0.000 0.044) 0.329 10.588 ( -3.800 0.000 -0.546) 3.839 10.617 ( -4.150 0.000 3.939) 5.722 10.830 ( 0.021 -0.000 -0.328) 0.329 10.841 ( 3.186 -0.000 -2.325) 3.944 11.020 ( 7.155 -0.000 -0.813) 7.201 11.026 ( 2.392 -0.000 -3.168) 3.969 11.118 ( -7.968 0.000 2.005) 8.216 11.215 ( -0.847 0.000 0.854) 1.203 11.417 ( -1.318 0.000 -0.470) 1.399 11.448 ( -0.804 0.000 0.167) 0.821 11.469 ( -2.190 0.000 -1.131) 2.465 11.510 ( -1.232 0.000 -2.666) 2.937 11.609 ( 3.257 -0.000 0.882) 3.374 11.817 ( 3.305 -0.000 0.610) 3.361 11.954 ( 2.689 -0.000 -0.303) 2.706 12.294 ( -2.111 0.000 1.836) 2.798 12.665 ( 8.369 -0.000 7.972) 11.559 12.749 ( 0.755 -0.000 -0.949) 1.213 13.411 ( -0.126 0.000 0.137) 0.186 13.506 ( 0.643 -0.000 0.395) 0.755 14.427 ( 10.422 -0.000 -0.993) 10.469 14.788 ( 4.863 -0.000 0.645) 4.906 15.069 ( 1.191 -0.000 -0.487) 1.286 15.496 ( 0.781 -0.000 0.353) 0.857 15.988 ( -12.003 0.000 0.713) 12.024 ======================= Grid point 147 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 9.240 11.147 -12.273) 18.980 1.292 ( 11.039 -4.298 -17.144) 20.839 1.541 ( 7.251 -2.741 11.119) 13.554 1.688 ( 11.204 -2.784 13.810) 18.000 2.002 ( -0.187 4.445 2.646) 5.176 2.029 ( 5.583 3.500 1.023) 6.668 2.134 ( 1.933 -3.346 -3.884) 5.478 2.338 ( 7.787 -1.146 -0.099) 7.872 2.350 ( 4.546 -4.986 -3.800) 7.744 2.474 ( 4.134 -5.250 1.948) 6.960 2.709 ( 0.249 0.221 -1.394) 1.433 2.808 ( 1.089 2.082 -0.841) 2.495 2.882 ( -0.276 -1.473 -3.753) 4.041 3.008 ( -3.621 2.401 3.832) 5.793 3.084 ( 0.145 -2.025 2.141) 2.950 3.126 ( -2.194 1.074 2.706) 3.646 3.235 ( 1.333 -1.024 3.270) 3.677 3.282 ( 2.119 0.569 -0.181) 2.202 3.405 ( 3.383 4.162 -5.731) 7.850 3.456 ( -1.561 2.488 -0.158) 2.942 3.551 ( 5.834 -3.439 -1.400) 6.916 3.664 ( 0.138 -4.422 -7.750) 8.924 3.714 ( 0.236 -2.669 1.305) 2.980 3.745 ( 2.081 -1.818 2.103) 3.473 3.896 ( 2.828 -5.699 0.401) 6.375 3.978 ( 5.161 -6.888 0.767) 8.641 4.094 ( 2.629 3.941 2.194) 5.221 4.196 ( 0.868 -1.857 0.274) 2.068 4.228 ( 3.916 0.351 1.179) 4.104 4.288 ( 5.631 -1.195 4.066) 7.047 4.304 ( -0.777 -4.512 2.119) 5.045 4.445 ( -1.047 -4.602 0.766) 4.781 4.531 ( 1.625 -4.255 -0.801) 4.625 4.672 ( 4.602 2.216 -0.143) 5.110 4.712 ( 1.569 1.956 0.669) 2.595 4.797 ( 2.713 -2.313 -1.357) 3.815 4.958 ( 1.609 -5.592 0.931) 5.893 4.993 ( -5.522 -7.855 1.388) 9.701 5.057 ( -2.390 0.241 -1.885) 3.054 5.119 ( -6.210 2.939 -5.447) 8.768 5.182 ( -1.936 1.487 0.155) 2.446 5.330 ( -0.384 -0.475 -2.125) 2.211 5.360 ( -4.596 0.512 -2.322) 5.175 5.458 ( -1.669 8.158 -5.928) 10.222 5.556 ( -1.284 -0.290 -0.341) 1.360 5.567 ( -0.789 6.675 5.996) 9.007 5.655 ( -3.939 0.844 0.554) 4.066 5.708 ( -0.309 1.411 1.833) 2.334 5.747 ( 2.195 -1.789 3.320) 4.364 5.818 ( 2.955 -1.614 0.461) 3.399 5.902 ( -2.719 2.474 -2.487) 4.438 5.992 ( 1.783 -9.616 1.548) 9.902 6.077 ( -3.177 6.406 2.784) 7.673 6.176 ( 5.679 2.390 0.880) 6.224 6.246 ( -0.905 -4.893 -3.858) 6.297 6.301 ( -0.739 -3.249 1.367) 3.602 6.565 ( -3.184 0.242 2.985) 4.371 6.666 ( -0.930 5.552 3.513) 6.635 6.801 ( -1.479 -1.202 4.900) 5.257 6.858 ( -3.207 -0.193 -2.290) 3.945 6.978 ( -0.866 -0.961 -1.064) 1.675 7.006 ( 0.568 1.978 -0.150) 2.064 7.213 ( 1.165 7.265 -1.319) 7.475 7.276 ( -3.238 -2.048 0.642) 3.884 7.395 ( -5.401 -1.802 -2.571) 6.247 7.485 ( -3.110 -5.604 -2.510) 6.883 7.628 ( 1.121 -3.161 0.818) 3.452 7.709 ( 0.449 1.480 -1.832) 2.397 7.750 ( 0.835 -0.625 -1.711) 2.004 7.812 ( -2.104 2.153 -3.559) 4.661 7.936 ( -1.291 -1.631 1.937) 2.842 8.048 ( -2.910 -2.680 1.051) 4.093 8.100 ( 0.771 0.755 -1.786) 2.087 8.130 ( -2.015 3.933 5.674) 7.191 8.251 ( -0.818 -1.971 -0.543) 2.202 8.393 ( -1.742 -0.931 -0.554) 2.051 8.439 ( -0.396 1.725 2.735) 3.258 8.591 ( -1.956 1.304 2.263) 3.263 8.621 ( -3.219 2.849 -4.968) 6.569 8.698 ( -3.676 -0.162 4.119) 5.523 8.893 ( 6.108 1.894 -2.520) 6.873 9.003 ( -2.527 -1.164 2.366) 3.652 9.183 ( 0.586 1.649 -1.369) 2.222 9.334 ( -1.498 0.903 -1.920) 2.597 9.351 ( 0.562 4.023 -3.806) 5.567 9.636 ( 1.474 -2.802 0.268) 3.178 9.855 ( -6.501 2.130 -0.454) 6.856 9.864 ( -0.940 1.388 -4.106) 4.435 9.920 ( -0.059 -1.050 -0.079) 1.054 10.079 ( 1.888 0.223 2.178) 2.891 10.094 ( -2.631 -3.879 0.267) 4.695 10.231 ( -4.741 3.639 -0.702) 6.018 10.333 ( -1.011 -1.086 0.994) 1.786 10.503 ( -1.230 0.914 1.257) 1.982 10.567 ( 4.680 2.409 2.476) 5.817 10.576 ( -3.336 -0.971 1.379) 3.738 10.638 ( -3.730 -3.922 2.527) 5.974 10.825 ( -0.128 0.208 -0.513) 0.568 10.858 ( 0.215 -1.711 -0.807) 1.904 10.975 ( 3.849 3.479 -5.469) 7.538 11.050 ( -7.218 -3.826 -1.027) 8.234 11.153 ( 6.515 -1.121 -0.071) 6.611 11.226 ( -1.407 -1.139 1.376) 2.274 11.346 ( -3.448 3.486 1.396) 5.098 11.441 ( 1.771 0.267 -2.002) 2.686 11.473 ( -3.231 -2.115 -0.295) 3.873 11.519 ( 1.730 -1.741 -1.443) 2.847 11.637 ( 2.902 0.535 0.661) 3.024 11.852 ( 3.591 0.298 0.781) 3.687 11.955 ( 3.810 2.992 -1.392) 5.041 12.249 ( -0.767 3.849 0.625) 3.974 12.728 ( 0.561 -0.348 3.036) 3.107 12.865 ( 2.914 -6.614 5.074) 8.830 13.374 ( 0.225 4.279 0.070) 4.286 13.516 ( 0.640 0.065 0.126) 0.656 14.483 ( 8.819 3.468 -0.468) 9.488 14.864 ( 7.337 -1.969 0.957) 7.657 15.129 ( 0.988 -5.622 -0.799) 5.764 15.453 ( -0.235 6.575 -0.005) 6.580 15.853 ( -12.286 1.260 -0.820) 12.377 ======================= Grid point 148 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 13.053 14.853 -1.051) 19.802 1.365 ( 10.047 -4.799 -14.315) 18.135 1.695 ( 6.192 -3.095 3.431) 7.726 1.816 ( 6.819 2.215 1.081) 7.251 1.894 ( 0.087 8.089 4.233) 9.130 2.055 ( 0.833 0.365 3.134) 3.263 2.242 ( 4.530 -3.945 -0.884) 6.072 2.347 ( 2.892 5.700 -1.251) 6.513 2.431 ( 1.608 -2.954 8.035) 8.710 2.587 ( 0.064 -2.592 0.595) 2.660 2.699 ( -0.774 1.330 2.710) 3.116 2.804 ( 3.905 0.622 -1.585) 4.260 2.866 ( 0.361 -4.264 -8.275) 9.317 2.960 ( -0.162 2.946 0.069) 2.952 3.083 ( -0.871 -1.456 -2.287) 2.848 3.154 ( 1.461 0.686 3.662) 4.002 3.237 ( 1.754 2.061 -4.913) 5.609 3.314 ( 3.604 -1.750 -2.272) 4.606 3.391 ( 0.233 1.066 -2.692) 2.904 3.472 ( -2.397 -7.028 7.634) 10.650 3.631 ( 0.394 -4.881 -3.223) 5.863 3.717 ( 1.355 -4.436 -1.595) 4.904 3.777 ( 4.642 -1.612 1.001) 5.015 3.824 ( 2.556 -4.487 0.472) 5.185 4.026 ( 0.174 -0.879 2.085) 2.270 4.052 ( 1.517 -4.131 1.423) 4.625 4.135 ( 4.695 -3.628 0.188) 5.936 4.247 ( 3.198 1.023 1.560) 3.702 4.273 ( 1.860 -4.853 0.479) 5.219 4.337 ( 1.216 -2.596 0.315) 2.884 4.414 ( 4.455 -2.254 2.142) 5.433 4.516 ( 1.117 -3.647 0.560) 3.855 4.586 ( 0.294 0.169 1.788) 1.820 4.677 ( 4.687 -0.196 -4.254) 6.332 4.760 ( 1.081 -5.174 3.555) 6.370 4.829 ( -1.957 -1.593 -0.179) 2.529 4.946 ( -5.551 3.400 0.317) 6.517 4.995 ( -2.610 1.636 -1.667) 3.502 5.054 ( 0.476 -2.174 -0.313) 2.247 5.143 ( -0.839 -3.529 3.590) 5.104 5.204 ( -6.916 3.755 -8.933) 11.905 5.224 ( 0.898 -6.958 -3.019) 7.638 5.318 ( -2.752 -1.682 -0.899) 3.348 5.369 ( 1.090 4.996 3.234) 6.051 5.513 ( 0.222 -1.643 2.304) 2.838 5.553 ( -1.166 3.090 0.718) 3.380 5.594 ( -6.308 -0.128 -0.955) 6.382 5.696 ( -1.653 -1.123 -0.140) 2.004 5.812 ( 0.045 0.711 -1.730) 1.871 5.827 ( 5.399 0.297 0.971) 5.493 5.851 ( -1.836 2.743 0.125) 3.303 5.930 ( -1.938 7.657 6.924) 10.504 6.100 ( 1.866 0.915 -1.838) 2.774 6.195 ( 1.386 -3.256 2.204) 4.169 6.259 ( -1.370 -1.652 -4.492) 4.979 6.399 ( 2.180 -1.871 -3.058) 4.196 6.505 ( -1.950 0.711 1.354) 2.478 6.604 ( -1.827 4.338 0.085) 4.708 6.785 ( -2.197 4.581 0.418) 5.098 6.846 ( -1.184 -0.394 6.392) 6.513 6.938 ( 2.144 2.659 -4.046) 5.295 7.062 ( 0.854 -3.920 5.488) 6.798 7.158 ( -0.129 0.358 2.192) 2.225 7.279 ( -6.665 -5.103 -3.231) 8.995 7.349 ( -2.543 0.241 -0.986) 2.738 7.510 ( -3.527 -3.247 -3.522) 5.949 7.673 ( 1.934 0.851 -3.473) 4.065 7.708 ( -0.885 -3.619 2.445) 4.456 7.742 ( 0.874 -2.886 -0.213) 3.023 7.849 ( 2.883 -3.250 -0.467) 4.369 7.954 ( -3.630 0.201 4.457) 5.752 8.045 ( -0.743 -0.129 -4.170) 4.238 8.060 ( -2.099 2.976 2.114) 4.211 8.108 ( 1.419 0.178 0.813) 1.645 8.226 ( 0.434 1.512 -4.326) 4.603 8.359 ( -5.505 2.268 0.901) 6.022 8.421 ( -0.837 1.010 1.329) 1.867 8.493 ( -3.151 4.018 -5.775) 7.708 8.599 ( -1.361 -0.422 4.871) 5.075 8.705 ( -4.219 -0.355 4.409) 6.113 8.878 ( 5.476 3.232 -5.434) 8.365 9.022 ( -2.168 -1.659 5.231) 5.901 9.117 ( -2.685 1.210 -5.631) 6.354 9.251 ( 1.608 5.619 -2.852) 6.503 9.345 ( 2.239 0.549 2.748) 3.587 9.688 ( 3.668 0.912 -1.982) 4.268 9.767 ( -2.074 -1.928 -2.407) 3.717 9.872 ( -1.778 -3.159 -0.426) 3.650 9.931 ( -0.522 0.103 2.188) 2.251 10.085 ( -3.323 2.458 2.556) 4.859 10.119 ( 1.467 -0.963 -1.040) 2.040 10.201 ( -2.343 -4.789 0.723) 5.380 10.327 ( -1.320 1.202 1.855) 2.575 10.467 ( -2.989 0.952 0.115) 3.139 10.568 ( -2.730 0.023 2.172) 3.489 10.636 ( 6.167 -1.681 2.957) 7.042 10.686 ( -3.245 -3.979 1.266) 5.288 10.816 ( 0.564 1.014 0.963) 1.508 10.867 ( -2.292 0.186 -1.686) 2.851 10.938 ( 5.586 1.205 -4.409) 7.217 11.042 ( -4.426 -2.295 -0.968) 5.078 11.202 ( -1.523 -0.183 -1.217) 1.958 11.205 ( 0.656 1.608 1.357) 2.203 11.322 ( -1.299 -1.767 1.829) 2.856 11.438 ( 2.102 0.785 -1.172) 2.532 11.483 ( -0.960 -1.579 -0.769) 2.001 11.552 ( 1.477 -1.310 -0.834) 2.143 11.654 ( 2.685 0.444 -0.094) 2.723 11.875 ( 2.444 0.721 0.545) 2.606 11.910 ( 3.288 5.348 -1.707) 6.506 12.184 ( -0.232 3.673 -0.367) 3.698 12.768 ( -0.894 -2.411 2.858) 3.845 12.985 ( -1.096 -3.838 3.846) 5.543 13.296 ( 1.028 5.679 -0.691) 5.812 13.511 ( 0.298 1.037 0.121) 1.085 14.481 ( 6.538 4.582 -0.076) 7.984 14.962 ( 5.534 -1.862 0.393) 5.852 15.213 ( 1.018 -3.414 -3.338) 4.882 15.309 ( -3.250 6.604 0.817) 7.405 15.764 ( -6.612 -0.819 -0.415) 6.675 ======================= Grid point 149 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 7.576 15.111 -0.946) 16.930 1.438 ( 7.408 -2.026 -5.626) 9.520 1.748 ( 4.514 4.986 0.048) 6.726 1.785 ( 5.540 5.522 1.469) 7.959 1.886 ( 2.456 -1.036 1.019) 2.854 2.073 ( -0.796 -2.604 -0.952) 2.884 2.228 ( 0.844 7.349 -0.557) 7.418 2.252 ( 1.559 4.389 2.671) 5.369 2.572 ( -7.044 -5.550 10.022) 13.448 2.577 ( -3.715 -0.232 2.559) 4.517 2.718 ( 3.103 -1.080 2.554) 4.161 2.776 ( -1.189 5.365 1.661) 5.741 2.863 ( -1.528 0.008 -3.475) 3.796 2.967 ( 0.760 -0.914 -2.627) 2.883 3.047 ( 2.459 2.972 -9.053) 9.840 3.174 ( 2.135 1.175 4.017) 4.699 3.234 ( 0.104 -5.319 -5.197) 7.437 3.291 ( -2.582 1.978 0.849) 3.361 3.421 ( 8.033 -0.608 -1.805) 8.256 3.582 ( -2.925 -6.231 -2.922) 7.478 3.712 ( -0.818 -4.601 1.956) 5.066 3.756 ( 0.303 0.508 2.979) 3.037 3.833 ( -1.306 -4.173 -2.103) 4.852 3.922 ( 4.635 -0.556 -0.705) 4.721 4.013 ( 1.209 -2.912 1.981) 3.724 4.145 ( 1.751 1.338 1.141) 2.481 4.200 ( 1.175 -0.873 1.607) 2.174 4.317 ( -0.123 1.420 -2.282) 2.691 4.341 ( 4.796 -6.702 3.745) 9.052 4.390 ( 1.849 -2.467 -0.785) 3.181 4.469 ( 3.836 1.027 0.841) 4.059 4.564 ( 1.803 0.154 0.458) 1.867 4.610 ( 0.598 -1.751 1.555) 2.417 4.719 ( 1.937 -4.146 -6.425) 7.888 4.795 ( -2.383 1.035 0.112) 2.600 4.875 ( -2.568 -0.057 2.780) 3.785 4.897 ( -0.224 -2.263 3.745) 4.381 4.977 ( 2.605 -1.101 -0.346) 2.849 4.989 ( 0.012 4.283 -2.974) 5.214 5.083 ( -2.873 2.710 -1.112) 4.103 5.202 ( -2.483 -2.256 0.946) 3.486 5.246 ( -2.459 -3.846 -3.552) 5.784 5.310 ( 0.806 2.837 3.283) 4.413 5.414 ( -0.084 -4.879 -1.890) 5.233 5.464 ( -0.535 6.330 -0.441) 6.368 5.548 ( -6.086 -4.129 -1.991) 7.620 5.615 ( 0.248 -6.129 0.459) 6.151 5.660 ( -2.558 0.531 -2.739) 3.785 5.758 ( -1.990 2.699 1.851) 3.830 5.823 ( -1.807 -2.940 1.173) 3.645 5.854 ( 0.490 4.218 3.160) 5.293 5.978 ( 7.797 -4.586 0.918) 9.093 6.064 ( 1.920 3.564 -0.262) 4.057 6.214 ( -3.021 0.087 -6.665) 7.318 6.246 ( -1.564 2.041 6.876) 7.341 6.314 ( 2.598 6.892 -2.059) 7.648 6.503 ( -1.990 1.748 -2.446) 3.605 6.604 ( 3.133 -4.542 -1.521) 5.723 6.693 ( -2.969 2.399 -0.039) 3.817 6.816 ( -2.143 3.586 2.266) 4.753 6.949 ( 3.864 1.380 0.069) 4.104 7.119 ( -2.310 -3.252 1.180) 4.160 7.172 ( -4.207 -1.013 0.615) 4.370 7.330 ( 1.807 -3.269 0.148) 3.738 7.385 ( -0.229 -6.943 4.657) 8.363 7.487 ( -2.691 -1.020 -4.047) 4.966 7.657 ( 0.994 1.194 -2.090) 2.604 7.782 ( 0.787 -2.045 1.239) 2.517 7.823 ( 1.836 -2.893 1.684) 3.818 7.857 ( 0.976 4.240 4.262) 6.090 7.969 ( -1.165 -4.308 -1.392) 4.674 7.975 ( -1.408 1.720 -2.661) 3.467 8.064 ( -4.317 -3.007 0.642) 5.301 8.126 ( 2.391 0.096 0.422) 2.430 8.223 ( 2.321 -2.164 -2.324) 3.933 8.266 ( -2.227 2.534 0.211) 3.380 8.369 ( -2.610 5.106 -2.308) 6.182 8.403 ( -2.527 0.716 2.286) 3.483 8.618 ( -1.740 1.952 4.528) 5.229 8.687 ( 0.885 -0.029 -2.967) 3.097 8.848 ( -0.766 -1.045 -2.628) 2.930 9.036 ( -4.079 0.597 -4.575) 6.158 9.084 ( -0.510 -2.112 3.280) 3.934 9.173 ( 3.263 3.750 -2.710) 5.662 9.368 ( 2.473 2.214 4.123) 5.293 9.663 ( 2.117 1.816 -3.281) 4.306 9.809 ( 0.100 -2.658 0.006) 2.660 9.912 ( -0.557 -3.150 -1.241) 3.431 9.952 ( 0.573 -0.913 2.866) 3.062 10.015 ( -3.515 2.485 1.724) 4.637 10.140 ( 0.929 -0.220 -0.103) 0.960 10.272 ( 0.247 -0.889 1.420) 1.693 10.326 ( -1.539 -4.682 0.983) 5.026 10.429 ( -1.599 1.322 -0.220) 2.086 10.560 ( -2.957 -0.488 2.332) 3.797 10.699 ( -2.721 -1.109 -0.485) 2.978 10.735 ( 2.212 -3.111 -0.600) 3.864 10.800 ( 2.725 4.480 -3.284) 6.187 10.831 ( 0.894 0.185 4.713) 4.801 10.965 ( 2.932 -1.518 -2.890) 4.388 11.035 ( -1.387 -0.480 1.351) 1.995 11.145 ( -5.581 0.918 2.255) 6.089 11.229 ( 1.702 -1.102 -1.590) 2.577 11.353 ( -0.940 -1.428 1.342) 2.174 11.442 ( 2.094 0.537 0.195) 2.171 11.488 ( 0.034 -0.241 -1.244) 1.268 11.569 ( 0.581 -0.080 -0.677) 0.896 11.676 ( 2.857 -0.603 -1.152) 3.139 11.831 ( 1.576 5.535 -1.419) 5.928 11.879 ( 0.862 1.189 0.369) 1.514 12.130 ( -0.499 2.396 -0.270) 2.462 12.814 ( -1.625 -2.434 2.662) 3.956 13.022 ( -3.539 -1.516 1.846) 4.270 13.219 ( 2.126 3.981 -2.509) 5.164 13.496 ( -0.028 0.971 0.233) 0.999 14.461 ( 4.825 4.453 0.435) 6.581 15.012 ( 1.457 -0.561 -0.345) 1.599 15.133 ( -1.290 4.718 -2.807) 5.639 15.320 ( 0.086 -3.839 -0.130) 3.842 15.741 ( -2.645 -1.083 0.678) 2.938 ======================= Grid point 150 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -3.128 10.316 -10.921) 15.345 1.446 ( 3.158 7.116 5.764) 9.687 1.696 ( 1.612 3.693 1.746) 4.391 1.781 ( 3.101 3.984 3.912) 6.387 1.885 ( 3.243 2.872 -2.666) 5.087 2.092 ( -1.278 -0.663 -2.208) 2.636 2.214 ( 3.043 -1.820 1.014) 3.688 2.224 ( 3.281 1.309 1.067) 3.690 2.529 ( -8.577 1.899 -1.979) 9.005 2.606 ( -8.460 -1.717 6.753) 10.960 2.669 ( -5.868 4.939 3.261) 8.335 2.727 ( -0.102 2.816 -4.051) 4.935 2.868 ( -1.170 -2.321 6.082) 6.614 2.929 ( -0.626 0.896 0.108) 1.098 2.988 ( 1.370 0.939 -2.871) 3.317 3.175 ( 2.143 1.423 -0.679) 2.661 3.201 ( -4.264 1.789 -0.726) 4.680 3.386 ( 6.260 -4.481 -2.374) 8.056 3.449 ( 5.379 3.746 0.586) 6.581 3.613 ( -2.591 -3.816 -3.114) 5.566 3.704 ( -3.082 1.869 -3.060) 4.728 3.733 ( -2.100 2.182 3.427) 4.574 3.896 ( -0.870 -0.806 2.533) 2.797 3.959 ( 4.627 -0.366 0.531) 4.672 4.084 ( 0.619 3.204 0.859) 3.375 4.119 ( 3.073 -1.344 -2.553) 4.215 4.187 ( 0.376 3.682 -1.515) 3.999 4.247 ( -0.485 2.371 -1.581) 2.891 4.412 ( 0.371 2.286 -0.085) 2.318 4.424 ( 0.400 4.694 -3.505) 5.872 4.467 ( 0.259 0.293 -0.328) 0.511 4.590 ( -0.427 -0.311 -0.903) 1.046 4.647 ( 2.246 5.189 0.411) 5.669 4.663 ( 1.672 -3.115 2.988) 4.629 4.768 ( -2.012 -1.021 1.098) 2.509 4.897 ( -2.512 1.165 0.653) 2.844 4.938 ( 0.902 -1.503 0.188) 1.763 4.967 ( 1.332 0.961 -1.563) 2.267 5.032 ( 3.185 -0.844 2.818) 4.335 5.081 ( 4.788 -5.375 -2.866) 7.748 5.185 ( -3.949 -0.927 0.118) 4.058 5.288 ( -0.406 -2.061 -0.332) 2.126 5.323 ( 2.426 0.146 2.731) 3.656 5.405 ( 0.986 -3.301 -2.332) 4.160 5.467 ( 1.136 -1.684 0.860) 2.206 5.575 ( -5.576 -6.214 -2.047) 8.596 5.597 ( -4.134 0.401 -1.388) 4.379 5.687 ( -1.401 -0.535 -1.658) 2.236 5.724 ( -0.685 -0.436 -1.809) 1.983 5.795 ( -0.280 2.683 1.981) 3.346 5.891 ( -0.945 -3.252 -0.807) 3.482 5.994 ( -0.752 4.587 0.546) 4.680 6.023 ( 3.737 6.894 -1.984) 8.089 6.177 ( -1.882 -1.105 -1.618) 2.717 6.267 ( 3.291 -4.415 -2.441) 6.023 6.273 ( 2.193 1.720 2.693) 3.876 6.471 ( -2.822 -1.664 3.762) 4.989 6.651 ( 3.086 1.463 0.628) 3.473 6.674 ( -2.448 -1.472 1.450) 3.204 6.789 ( -2.852 -1.763 -0.118) 3.356 6.919 ( 3.148 3.311 -3.202) 5.579 7.149 ( -3.222 -0.533 -1.807) 3.733 7.173 ( -0.681 -3.535 0.516) 3.637 7.404 ( 4.778 -1.472 0.503) 5.024 7.459 ( -1.178 -0.317 -1.008) 1.583 7.506 ( 0.029 -2.422 1.460) 2.828 7.639 ( -2.654 -1.743 2.479) 4.028 7.774 ( 3.894 5.816 1.986) 7.275 7.808 ( 1.478 -0.086 1.357) 2.008 7.870 ( -1.485 1.369 0.150) 2.025 7.981 ( 1.241 -2.522 0.643) 2.884 8.014 ( -5.138 1.653 3.935) 6.680 8.068 ( 2.061 -3.865 -3.342) 5.510 8.113 ( 0.500 2.889 -0.616) 2.996 8.256 ( -0.853 3.373 -2.249) 4.142 8.305 ( 3.925 -4.991 3.014) 7.029 8.325 ( 1.798 -5.441 1.599) 5.949 8.414 ( -2.889 -4.419 1.646) 5.530 8.572 ( 1.255 3.570 0.582) 3.828 8.669 ( -1.477 1.083 -2.293) 2.935 8.853 ( -2.991 -1.724 -3.837) 5.161 8.987 ( -2.474 -4.318 -3.730) 6.219 9.122 ( -0.164 -1.187 1.128) 1.646 9.154 ( 2.392 0.859 -2.024) 3.249 9.375 ( 3.097 2.932 4.666) 6.321 9.627 ( 0.019 2.069 -1.887) 2.800 9.831 ( 0.091 0.558 0.470) 0.735 9.912 ( -1.439 0.323 -1.026) 1.797 9.973 ( 0.196 -0.415 1.058) 1.153 10.031 ( 0.794 -3.001 1.943) 3.663 10.135 ( -0.381 1.233 0.376) 1.345 10.265 ( -0.182 0.770 1.282) 1.507 10.390 ( -0.184 1.904 0.402) 1.954 10.447 ( 1.311 -7.455 0.097) 7.570 10.545 ( -4.818 -0.140 -0.060) 4.821 10.653 ( 0.085 3.088 -2.984) 4.295 10.728 ( -2.577 -1.690 -3.943) 5.005 10.794 ( 2.161 1.449 3.057) 4.015 10.877 ( 3.674 0.943 3.006) 4.840 10.983 ( 3.090 0.549 -2.213) 3.840 11.067 ( 0.918 -1.483 1.216) 2.126 11.107 ( -6.299 -1.079 4.967) 8.094 11.250 ( 2.051 -0.878 -1.844) 2.894 11.359 ( -0.793 0.685 1.073) 1.500 11.462 ( 1.975 -0.187 0.913) 2.184 11.478 ( 0.006 0.299 -1.585) 1.613 11.557 ( -0.523 1.035 -0.519) 1.270 11.695 ( 3.409 1.756 -1.702) 4.195 11.769 ( -0.919 0.537 -0.122) 1.071 11.861 ( -0.109 1.396 -0.091) 1.403 12.101 ( -1.138 0.484 0.721) 1.431 12.845 ( -1.922 -1.740 1.459) 2.975 12.997 ( -4.939 1.190 1.690) 5.354 13.191 ( 2.642 -0.761 -4.803) 5.534 13.488 ( -0.214 0.056 0.207) 0.303 14.432 ( 2.785 4.104 1.084) 5.077 14.994 ( -2.087 3.029 -0.307) 3.691 15.085 ( -0.335 -1.767 -0.075) 1.800 15.361 ( 1.487 -1.578 -3.448) 4.073 15.764 ( -0.220 -2.428 1.983) 3.142 ======================= Grid point 151 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -9.337 -8.494 -9.988) 16.096 1.364 ( 1.180 13.252 13.899) 19.240 1.676 ( -3.614 1.462 6.932) 7.953 1.763 ( 6.328 2.939 -7.177) 10.009 1.844 ( 1.234 0.188 -5.003) 5.157 2.046 ( -4.889 4.605 2.563) 7.188 2.191 ( -1.889 7.058 -0.354) 7.315 2.294 ( 3.613 -0.631 2.187) 4.270 2.371 ( -4.094 0.726 -1.080) 4.296 2.545 ( -8.259 4.998 1.416) 9.757 2.612 ( -7.424 -4.235 5.595) 10.215 2.720 ( 2.494 -0.922 -1.874) 3.253 2.910 ( 2.467 -2.039 2.898) 4.318 2.984 ( -3.040 -1.979 7.301) 8.152 2.996 ( 1.280 -1.524 -0.373) 2.025 3.132 ( -1.281 1.344 -2.272) 2.934 3.173 ( 3.136 0.134 -3.853) 4.970 3.341 ( 0.405 7.823 0.994) 7.896 3.487 ( 1.176 0.416 -2.213) 2.540 3.591 ( -0.249 1.703 0.481) 1.787 3.669 ( -1.115 3.073 1.201) 3.483 3.679 ( -2.877 -0.026 -4.516) 5.355 3.863 ( 3.645 10.911 0.533) 11.516 3.897 ( 1.250 2.684 0.614) 3.023 4.076 ( -0.609 1.933 -2.429) 3.163 4.081 ( -1.577 5.101 -1.214) 5.475 4.121 ( 2.691 2.934 -2.975) 4.970 4.221 ( -3.805 2.659 -0.985) 4.746 4.266 ( -0.028 6.084 -6.750) 9.087 4.344 ( 1.382 4.808 -0.606) 5.039 4.465 ( 0.275 -2.044 -0.303) 2.084 4.554 ( -1.701 2.883 1.311) 3.595 4.621 ( 5.083 3.459 0.670) 6.185 4.701 ( 0.605 5.115 3.190) 6.059 4.781 ( -0.056 0.620 -2.555) 2.630 4.839 ( -3.392 1.413 -0.386) 3.695 4.980 ( -0.618 -1.366 2.975) 3.332 5.022 ( 1.778 -7.601 0.469) 7.820 5.081 ( 6.058 0.686 -0.343) 6.106 5.121 ( 1.121 -0.785 -2.686) 3.014 5.192 ( -3.280 -2.054 2.607) 4.666 5.344 ( 1.619 -2.717 0.246) 3.173 5.357 ( 3.342 3.093 3.876) 5.979 5.450 ( 0.829 2.123 -3.235) 3.957 5.497 ( -2.168 -2.136 0.072) 3.044 5.548 ( 0.147 0.018 -2.841) 2.845 5.619 ( -3.620 -7.761 -0.086) 8.565 5.658 ( -4.543 -2.174 -2.991) 5.858 5.733 ( 0.563 -0.083 -2.066) 2.143 5.771 ( 1.753 2.270 3.065) 4.197 5.881 ( -1.295 -2.469 -4.565) 5.349 5.934 ( 1.480 2.587 -1.806) 3.485 5.978 ( 0.403 -1.092 -0.252) 1.191 6.188 ( -2.656 -0.469 1.440) 3.057 6.269 ( -0.875 -0.957 2.201) 2.554 6.346 ( 2.017 -3.076 -0.940) 3.797 6.563 ( -0.982 -3.122 5.110) 6.068 6.634 ( 2.979 2.947 3.556) 5.496 6.706 ( -0.129 -2.836 1.314) 3.128 6.806 ( -3.292 -4.691 -2.015) 6.075 6.906 ( 4.367 -0.070 -2.418) 4.992 7.076 ( -4.109 2.165 -6.603) 8.073 7.196 ( 0.541 0.276 -2.319) 2.397 7.419 ( 2.505 1.659 -1.058) 3.185 7.452 ( -0.175 1.538 0.780) 1.733 7.568 ( 2.150 -4.085 3.178) 5.604 7.683 ( -1.357 -3.059 3.259) 4.671 7.756 ( 1.401 3.779 6.030) 7.253 7.804 ( 0.093 4.350 2.484) 5.010 7.855 ( 1.894 2.935 1.790) 3.925 7.977 ( -0.932 -0.076 3.163) 3.298 8.001 ( 0.489 0.521 -0.867) 1.124 8.062 ( -3.035 0.702 -1.580) 3.493 8.104 ( 3.364 -1.664 -4.514) 5.870 8.226 ( -0.288 -1.798 -1.631) 2.444 8.415 ( -0.702 -3.759 3.284) 5.041 8.464 ( 2.380 1.313 -0.382) 2.745 8.479 ( 4.448 -6.121 2.787) 8.063 8.591 ( -3.014 -6.577 2.142) 7.545 8.614 ( -0.639 0.928 -1.113) 1.584 8.801 ( -2.006 -0.544 -7.167) 7.462 9.066 ( -2.083 -6.938 -1.153) 7.336 9.132 ( 0.523 1.303 -2.852) 3.179 9.156 ( 0.963 -2.829 0.046) 2.989 9.409 ( 6.429 1.576 4.693) 8.114 9.577 ( -2.948 1.143 -0.345) 3.181 9.798 ( -1.349 2.696 2.338) 3.816 9.920 ( 1.132 -2.704 -2.966) 4.170 9.976 ( 0.833 2.039 1.943) 2.937 10.069 ( -1.476 0.277 -0.992) 1.800 10.127 ( 0.621 -1.383 1.649) 2.240 10.284 ( 0.550 -1.628 2.160) 2.760 10.356 ( 0.350 2.607 0.252) 2.642 10.457 ( -4.673 3.582 -2.859) 6.546 10.573 ( 3.896 -3.140 -0.466) 5.026 10.612 ( -1.142 -1.283 -1.425) 2.232 10.729 ( -2.339 -3.320 -2.476) 4.756 10.802 ( 0.687 1.559 4.039) 4.383 10.885 ( 3.066 2.998 0.866) 4.375 10.971 ( 0.803 2.174 -2.052) 3.095 11.045 ( -4.296 0.348 1.596) 4.596 11.180 ( 2.937 -3.172 3.731) 5.711 11.271 ( 2.149 -0.667 -1.190) 2.546 11.336 ( -0.842 1.818 0.809) 2.161 11.459 ( 2.298 1.260 -3.036) 4.010 11.496 ( 0.007 -1.851 1.245) 2.231 11.531 ( -0.842 0.806 -0.156) 1.176 11.655 ( 1.129 3.754 -0.622) 3.969 11.799 ( -0.525 -3.662 0.180) 3.704 11.837 ( 0.074 1.440 -0.172) 1.452 12.104 ( -1.708 -1.512 1.591) 2.781 12.850 ( -1.785 -0.249 -0.193) 1.813 12.925 ( -5.413 3.138 0.908) 6.323 13.224 ( 1.821 -4.197 -4.263) 6.253 13.492 ( -0.286 -0.719 0.053) 0.775 14.395 ( 0.771 3.506 1.397) 3.852 14.899 ( -2.829 4.954 -0.685) 5.746 15.161 ( 0.153 -5.778 2.738) 6.395 15.351 ( 1.884 1.028 -5.464) 5.870 15.834 ( 0.623 -4.414 2.163) 4.955 ======================= Grid point 152 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.913 -22.777 7.113) 23.880 1.248 ( 0.188 12.430 16.723) 20.837 1.597 ( 3.063 9.183 -11.576) 15.090 1.659 ( -1.568 8.517 -4.426) 9.725 1.871 ( -2.123 2.648 -1.576) 3.742 1.918 ( -0.385 -7.079 -0.409) 7.102 2.113 ( -1.193 7.061 16.544) 18.028 2.340 ( 4.671 2.589 2.203) 5.777 2.374 ( -0.627 1.359 -1.510) 2.126 2.396 ( -6.191 3.065 -0.222) 6.911 2.675 ( -3.133 -5.084 3.367) 6.856 2.739 ( 2.035 -1.043 -2.904) 3.696 2.934 ( 0.026 4.249 3.939) 5.793 3.004 ( -4.927 -1.248 8.077) 9.543 3.068 ( 2.247 -3.806 -2.862) 5.266 3.116 ( -0.961 -1.335 -1.712) 2.374 3.179 ( 3.237 -0.973 -3.554) 4.905 3.278 ( 2.407 -0.589 -1.398) 2.845 3.415 ( 1.749 7.678 -4.202) 8.926 3.509 ( -1.557 3.921 -6.542) 7.785 3.574 ( -0.643 3.112 2.146) 3.834 3.696 ( -0.680 -1.551 0.756) 1.854 3.755 ( 2.342 6.537 1.340) 7.072 3.867 ( 2.553 5.966 0.002) 6.490 3.954 ( -1.831 5.099 -3.481) 6.440 4.031 ( -0.823 2.988 -0.589) 3.154 4.048 ( 0.992 6.532 -0.567) 6.631 4.070 ( -0.451 5.002 -0.625) 5.061 4.205 ( 1.390 0.470 -5.953) 6.131 4.293 ( -0.003 3.173 -1.824) 3.660 4.467 ( 0.079 8.544 0.990) 8.602 4.512 ( 1.319 -2.078 -0.661) 2.548 4.617 ( 0.665 4.709 1.394) 4.956 4.625 ( -1.760 0.293 -1.832) 2.557 4.691 ( 2.170 5.128 -3.311) 6.478 4.820 ( -0.913 4.583 2.179) 5.156 4.931 ( -0.395 1.053 -1.568) 1.929 5.140 ( -1.609 -3.915 2.290) 4.813 5.144 ( 1.046 4.035 2.414) 4.817 5.152 ( 0.522 -2.476 3.260) 4.126 5.236 ( 1.555 -5.613 -1.592) 6.038 5.303 ( 2.377 7.770 0.522) 8.142 5.384 ( -1.824 -3.764 -3.652) 5.553 5.410 ( 1.723 -2.405 3.376) 4.488 5.498 ( -0.546 -2.499 -0.001) 2.558 5.551 ( 0.819 -2.130 -4.897) 5.402 5.634 ( -3.930 -1.055 -0.217) 4.074 5.669 ( -1.133 2.336 -1.510) 3.004 5.744 ( -1.336 -1.687 3.296) 3.936 5.823 ( 2.416 -2.032 1.612) 3.544 5.878 ( -1.397 -3.938 -1.640) 4.489 5.979 ( 0.085 -7.327 -3.054) 7.939 6.029 ( 1.389 -3.728 -0.789) 4.056 6.129 ( -1.524 5.314 -1.229) 5.663 6.316 ( -0.748 -0.118 4.457) 4.520 6.349 ( 0.654 5.119 3.312) 6.131 6.586 ( 0.410 -2.846 -1.981) 3.492 6.634 ( -0.343 0.348 -3.159) 3.197 6.781 ( -1.593 -1.824 5.550) 6.055 6.852 ( -1.937 -4.314 1.727) 5.034 6.954 ( 2.737 -2.672 -0.547) 3.864 6.999 ( -0.711 -1.805 -5.605) 5.931 7.163 ( 0.936 0.517 -3.298) 3.467 7.365 ( -0.558 4.752 0.786) 4.849 7.480 ( 1.189 -2.269 -0.700) 2.656 7.637 ( 2.011 2.408 2.373) 3.933 7.695 ( -3.765 2.720 2.748) 5.397 7.703 ( 0.879 5.596 1.739) 5.926 7.779 ( 1.838 0.375 2.883) 3.440 7.862 ( 2.686 0.531 4.444) 5.220 7.945 ( -3.593 0.504 -1.466) 3.914 7.986 ( -2.919 0.316 1.451) 3.275 8.072 ( 0.121 -2.634 -1.651) 3.111 8.162 ( 3.078 -4.480 -3.931) 6.708 8.260 ( -0.465 -2.957 1.213) 3.229 8.407 ( -1.188 5.151 -0.116) 5.288 8.440 ( -0.057 0.293 -0.800) 0.853 8.558 ( -2.649 -1.566 5.474) 6.280 8.663 ( 2.898 -4.787 -0.964) 5.679 8.704 ( -0.878 -4.720 -1.023) 4.909 8.777 ( 1.538 -2.643 -4.409) 5.366 9.064 ( -2.347 1.705 1.248) 3.158 9.138 ( 0.986 -2.902 -4.055) 5.083 9.261 ( 1.456 -7.282 0.393) 7.436 9.434 ( 1.932 3.637 0.149) 4.121 9.588 ( 1.292 -3.176 0.159) 3.432 9.803 ( -1.277 -3.172 6.728) 7.547 9.952 ( 0.959 2.538 1.097) 2.927 9.961 ( 0.895 -3.307 -3.802) 5.118 10.016 ( -1.740 2.367 -1.580) 3.336 10.196 ( 0.006 -5.425 1.670) 5.676 10.291 ( 2.748 5.245 0.524) 5.944 10.331 ( -4.771 3.711 -2.414) 6.509 10.367 ( 0.772 -3.026 1.326) 3.393 10.580 ( 1.173 0.645 -1.985) 2.394 10.653 ( -2.470 -1.353 2.461) 3.740 10.752 ( -1.401 -2.653 -0.755) 3.094 10.820 ( 1.712 0.477 1.135) 2.108 10.864 ( 2.535 2.936 1.526) 4.168 10.901 ( -4.597 1.666 -1.568) 5.135 11.028 ( 2.292 1.661 0.274) 2.844 11.250 ( 2.242 -0.152 -0.139) 2.251 11.284 ( 0.415 2.386 1.249) 2.725 11.320 ( -0.736 -3.093 -1.136) 3.376 11.440 ( 1.647 1.095 -2.481) 3.173 11.524 ( -0.636 -0.893 0.182) 1.111 11.535 ( 1.469 -1.483 -0.345) 2.116 11.605 ( 0.185 2.760 -0.186) 2.773 11.817 ( 0.195 1.239 -0.112) 1.259 11.859 ( -0.017 -3.752 0.620) 3.803 12.138 ( -1.088 -3.320 1.968) 4.009 12.788 ( -7.926 4.265 1.159) 9.074 12.839 ( 2.100 4.434 -0.904) 4.989 13.294 ( 0.719 -5.408 -1.882) 5.771 13.502 ( -0.147 -0.592 -0.010) 0.610 14.357 ( 0.660 2.612 0.864) 2.829 14.803 ( -0.477 4.234 -0.315) 4.272 15.220 ( 0.350 4.020 1.194) 4.208 15.352 ( 0.850 -6.122 -3.137) 6.931 15.933 ( -1.002 -6.533 1.636) 6.809 ======================= Grid point 155 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 11.731 -0.000 -15.493) 19.433 1.261 ( 13.789 -0.000 -15.592) 20.815 1.670 ( 5.085 -0.000 11.530) 12.602 1.900 ( 15.482 -0.000 14.912) 21.496 2.039 ( -2.488 0.000 6.321) 6.793 2.093 ( 1.871 -0.000 0.283) 1.892 2.168 ( 10.837 -0.000 -6.273) 12.522 2.307 ( 6.224 -0.000 -3.312) 7.051 2.406 ( 10.392 -0.000 -2.989) 10.814 2.469 ( 4.591 -0.000 0.379) 4.606 2.676 ( -1.191 0.000 -5.094) 5.231 2.796 ( -3.837 0.000 -0.716) 3.903 2.891 ( 3.121 -0.000 -1.290) 3.377 3.003 ( -6.275 0.000 6.035) 8.706 3.097 ( -5.206 0.000 1.005) 5.302 3.115 ( 2.802 -0.000 3.890) 4.794 3.261 ( 1.859 -0.000 1.788) 2.580 3.310 ( 2.869 -0.000 -1.384) 3.186 3.454 ( 5.583 -0.000 -15.344) 16.328 3.457 ( -2.476 0.000 3.606) 4.375 3.545 ( 3.097 -0.000 -0.689) 3.173 3.629 ( 2.451 -0.000 0.014) 2.451 3.686 ( 1.268 -0.000 -1.210) 1.752 3.785 ( 4.420 -0.000 2.456) 5.056 3.858 ( 3.740 -0.000 0.773) 3.819 3.984 ( 6.611 -0.000 1.282) 6.734 4.151 ( -1.259 0.000 0.331) 1.302 4.217 ( -0.997 0.000 2.058) 2.286 4.231 ( 3.567 -0.000 1.245) 3.778 4.311 ( 4.772 -0.000 4.304) 6.426 4.325 ( -1.417 0.000 4.013) 4.256 4.460 ( 5.598 -0.000 4.728) 7.328 4.507 ( 3.922 -0.000 -2.563) 4.685 4.686 ( 1.501 -0.000 0.698) 1.655 4.798 ( 2.224 -0.000 -4.369) 4.903 4.842 ( 3.180 -0.000 2.446) 4.012 4.859 ( -1.012 0.000 3.344) 3.493 4.886 ( -3.089 0.000 1.386) 3.385 5.053 ( 0.261 -0.000 -1.946) 1.963 5.056 ( -5.316 0.000 -3.649) 6.448 5.166 ( -4.330 0.000 0.332) 4.342 5.244 ( -7.678 0.000 -7.610) 10.810 5.328 ( -2.473 0.000 0.358) 2.499 5.511 ( 0.070 -0.000 -1.579) 1.581 5.548 ( -4.935 0.000 -2.405) 5.490 5.585 ( -1.277 0.000 2.249) 2.587 5.703 ( -4.722 0.000 2.534) 5.359 5.709 ( 2.642 -0.000 1.092) 2.859 5.789 ( 5.509 -0.000 -0.130) 5.510 5.824 ( -0.594 0.000 0.756) 0.961 5.850 ( -1.330 0.000 -0.819) 1.562 5.960 ( 3.664 -0.000 0.105) 3.665 6.018 ( -4.615 0.000 -2.725) 5.359 6.217 ( -2.866 0.000 -0.995) 3.034 6.263 ( 3.193 -0.000 -0.091) 3.194 6.286 ( -1.316 0.000 4.173) 4.376 6.548 ( -3.026 0.000 4.335) 5.287 6.760 ( -0.449 0.000 3.240) 3.270 6.778 ( -3.411 0.000 0.105) 3.413 6.816 ( -0.479 0.000 4.359) 4.385 6.945 ( -2.298 0.000 -0.374) 2.328 7.025 ( -0.108 0.000 1.973) 1.976 7.234 ( -4.409 0.000 -0.578) 4.447 7.277 ( -2.405 0.000 -8.034) 8.387 7.349 ( -1.156 0.000 1.404) 1.819 7.370 ( -1.162 0.000 -1.986) 2.301 7.626 ( 1.597 -0.000 2.299) 2.800 7.727 ( 0.311 -0.000 -2.465) 2.485 7.747 ( 2.569 -0.000 -0.430) 2.605 7.824 ( -1.106 0.000 -6.823) 6.912 7.842 ( -3.971 0.000 -0.343) 3.986 8.005 ( -4.663 0.000 1.534) 4.909 8.110 ( 3.177 -0.000 -2.056) 3.784 8.181 ( -2.197 0.000 -1.474) 2.646 8.228 ( -1.746 0.000 8.663) 8.838 8.362 ( -1.610 0.000 -1.169) 1.990 8.456 ( -3.298 0.000 2.414) 4.087 8.556 ( -2.433 0.000 -6.678) 7.107 8.640 ( -2.608 0.000 6.302) 6.820 8.687 ( -4.021 0.000 2.855) 4.932 8.903 ( 4.049 -0.000 -7.028) 8.111 9.045 ( 2.272 -0.000 7.950) 8.268 9.174 ( -1.602 0.000 -5.219) 5.459 9.299 ( -1.941 0.000 -2.798) 3.406 9.384 ( 2.728 -0.000 -3.599) 4.516 9.602 ( -0.416 0.000 0.397) 0.575 9.808 ( -6.330 0.000 -2.105) 6.671 9.875 ( 0.245 -0.000 0.452) 0.514 9.898 ( 0.056 -0.000 -0.524) 0.527 10.038 ( -2.496 0.000 3.482) 4.284 10.111 ( 1.385 -0.000 -1.454) 2.008 10.234 ( -4.013 0.000 3.647) 5.422 10.299 ( -1.559 0.000 -1.336) 2.053 10.501 ( -2.294 0.000 0.377) 2.325 10.536 ( -4.308 0.000 2.280) 4.874 10.587 ( -3.836 0.000 2.998) 4.868 10.690 ( 8.171 -0.000 4.385) 9.273 10.782 ( -2.618 0.000 -3.694) 4.527 10.843 ( 0.091 -0.000 -2.167) 2.169 10.947 ( -3.066 0.000 0.407) 3.093 11.035 ( 5.171 -0.000 -5.475) 7.530 11.187 ( 3.630 -0.000 -0.912) 3.743 11.219 ( -0.756 0.000 2.618) 2.725 11.352 ( -6.066 0.000 1.801) 6.327 11.429 ( -0.979 0.000 3.161) 3.309 11.447 ( 1.337 -0.000 -2.542) 2.872 11.517 ( 3.427 -0.000 -2.297) 4.125 11.672 ( 2.453 -0.000 0.953) 2.631 11.890 ( 2.902 -0.000 0.977) 3.062 12.008 ( 5.162 -0.000 -2.823) 5.884 12.269 ( -2.360 0.000 0.688) 2.458 12.749 ( 0.732 -0.000 -1.173) 1.383 12.859 ( 1.164 -0.000 6.922) 7.019 13.412 ( -0.131 0.000 0.423) 0.442 13.523 ( 0.948 -0.000 -0.029) 0.948 14.600 ( 7.831 -0.000 1.282) 7.935 14.932 ( 9.489 -0.000 1.091) 9.551 15.086 ( 1.537 -0.000 -0.822) 1.743 15.523 ( 1.149 -0.000 1.025) 1.540 15.700 ( -16.526 0.000 -5.226) 17.333 ======================= Grid point 156 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 13.495 2.711 -7.762) 15.802 1.328 ( 14.600 -2.420 -10.765) 18.300 1.729 ( 1.892 1.534 2.751) 3.674 2.008 ( 4.864 5.828 8.803) 11.624 2.036 ( 2.530 6.275 2.740) 7.300 2.114 ( 4.652 1.923 2.157) 5.476 2.227 ( 4.834 -2.567 0.473) 5.494 2.399 ( -1.545 -0.687 5.674) 5.920 2.461 ( 10.425 -2.254 -3.692) 11.287 2.554 ( 3.254 -2.956 0.494) 4.423 2.696 ( 7.122 -5.336 -6.861) 11.237 2.737 ( -4.602 1.403 -2.505) 5.425 2.866 ( 0.416 2.783 1.174) 3.049 3.022 ( 0.561 0.474 1.385) 1.568 3.037 ( -3.230 0.946 -0.103) 3.367 3.179 ( 1.532 -1.329 3.690) 4.211 3.268 ( -0.269 1.460 -0.978) 1.778 3.323 ( 5.073 -0.062 -4.932) 7.076 3.362 ( 0.659 1.094 -6.267) 6.396 3.463 ( -2.372 1.483 2.499) 3.751 3.567 ( -1.030 0.333 -1.997) 2.272 3.632 ( 2.516 -5.438 -0.093) 5.993 3.799 ( 5.936 -6.151 2.125) 8.809 3.832 ( 3.543 0.922 2.603) 4.492 3.957 ( 3.840 -6.059 0.340) 7.181 4.054 ( 2.610 -0.257 -2.125) 3.376 4.135 ( 0.534 -0.004 0.322) 0.624 4.231 ( 2.243 -2.653 1.532) 3.796 4.288 ( 1.838 -2.529 -0.449) 3.158 4.338 ( 1.740 0.421 6.060) 6.319 4.433 ( 3.406 -5.424 1.344) 6.544 4.492 ( 1.577 1.473 2.356) 3.195 4.561 ( 2.191 -3.008 -0.051) 3.722 4.704 ( -2.384 1.909 -1.214) 3.287 4.744 ( 1.694 -0.493 -1.536) 2.340 4.832 ( 2.335 2.903 4.381) 5.751 4.898 ( -4.420 -5.651 -1.182) 7.270 4.966 ( -2.266 1.013 -0.520) 2.536 5.029 ( -1.559 0.729 2.992) 3.452 5.044 ( 0.381 -5.941 0.206) 5.956 5.129 ( -3.272 -0.183 -3.373) 4.703 5.190 ( -2.079 -4.393 0.532) 4.889 5.291 ( 0.441 3.610 -0.533) 3.676 5.463 ( -0.310 1.587 -2.476) 2.957 5.508 ( -2.915 0.529 0.164) 2.967 5.560 ( -2.494 3.250 -1.059) 4.231 5.607 ( -3.991 3.677 2.932) 6.168 5.702 ( -1.102 3.431 -0.501) 3.639 5.799 ( 0.252 0.108 -1.610) 1.633 5.827 ( -2.120 -1.380 2.326) 3.436 5.870 ( 3.022 -0.979 -3.678) 4.860 6.017 ( -0.633 -5.539 -0.895) 5.646 6.067 ( -0.227 1.457 2.745) 3.115 6.157 ( -2.238 -0.657 -3.011) 3.808 6.215 ( 0.242 -0.155 -3.528) 3.539 6.329 ( 0.583 -2.464 2.403) 3.490 6.568 ( -0.613 1.033 3.111) 3.334 6.669 ( -1.823 5.761 -0.687) 6.082 6.795 ( -3.842 -1.379 4.182) 5.844 6.859 ( 0.895 0.804 3.540) 3.738 6.946 ( -0.946 -1.416 -1.147) 2.053 7.055 ( -2.034 -1.936 6.860) 7.412 7.166 ( -3.402 0.503 -6.138) 7.036 7.200 ( -1.171 2.560 -1.172) 3.049 7.298 ( -0.654 -0.629 -2.102) 2.289 7.423 ( -1.915 -2.975 0.331) 3.554 7.672 ( 0.537 -1.771 2.667) 3.246 7.703 ( 1.034 0.624 -1.013) 1.576 7.729 ( 1.199 1.105 -1.408) 2.154 7.810 ( 2.095 -3.153 -1.164) 3.960 7.879 ( -5.035 -5.356 -1.644) 7.532 7.977 ( -3.605 -1.295 -1.127) 3.993 8.106 ( -3.030 1.932 -2.534) 4.398 8.142 ( 5.554 1.081 -1.272) 5.799 8.251 ( -0.340 2.204 0.838) 2.383 8.342 ( -2.830 0.308 -0.403) 2.875 8.422 ( -3.461 0.819 0.856) 3.659 8.483 ( -2.206 1.961 -2.732) 4.023 8.633 ( -3.697 1.882 6.178) 7.442 8.682 ( -4.403 -1.131 5.310) 6.990 8.893 ( 3.095 0.205 -8.347) 8.905 9.081 ( 2.047 2.648 1.587) 3.704 9.087 ( -1.093 3.718 -3.663) 5.332 9.278 ( -0.565 -0.285 -3.252) 3.313 9.395 ( 3.536 0.087 2.261) 4.198 9.663 ( 0.586 -5.761 0.802) 5.846 9.725 ( -3.395 1.892 -4.087) 5.640 9.852 ( -0.067 1.911 2.130) 2.863 9.934 ( -0.026 -1.669 2.653) 3.134 10.058 ( -2.587 -1.560 3.020) 4.272 10.120 ( 0.892 -1.814 -0.932) 2.226 10.176 ( -2.302 3.720 1.591) 4.656 10.333 ( -0.403 -2.999 2.082) 3.674 10.465 ( -2.286 2.061 0.431) 3.108 10.511 ( -6.363 -1.354 2.427) 6.943 10.608 ( -2.022 -3.097 0.938) 3.816 10.707 ( 2.933 2.114 -1.085) 3.774 10.817 ( 2.770 -2.005 0.761) 3.503 10.840 ( -0.148 -0.960 0.981) 1.380 10.947 ( 0.282 -1.569 -2.346) 2.836 11.028 ( 4.325 2.197 -2.848) 5.625 11.195 ( -0.040 0.552 -1.201) 1.322 11.239 ( 0.215 0.362 2.011) 2.055 11.300 ( -4.602 0.145 3.301) 5.665 11.435 ( 0.675 -0.037 -1.804) 1.927 11.471 ( 0.739 -1.347 2.231) 2.709 11.540 ( 2.592 -1.070 -2.347) 3.656 11.690 ( 1.987 0.801 0.663) 2.242 11.911 ( 1.658 0.727 0.899) 2.022 12.004 ( 4.769 3.614 -3.464) 6.914 12.229 ( -1.618 2.735 0.087) 3.179 12.751 ( 0.401 -0.772 0.179) 0.888 12.922 ( -2.868 -3.591 2.660) 5.310 13.380 ( 0.282 3.978 0.223) 3.995 13.527 ( 0.563 0.452 -0.131) 0.733 14.629 ( 6.250 4.633 1.816) 7.989 15.008 ( 6.931 0.753 -0.077) 6.972 15.141 ( 1.868 -4.647 -0.639) 5.049 15.387 ( -6.805 8.905 -3.896) 11.865 15.646 ( -5.764 -5.833 -1.420) 8.323 ======================= Grid point 157 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 6.585 15.118 -3.206) 16.799 1.447 ( 12.269 -2.784 -4.456) 13.346 1.782 ( 6.131 -6.209 -3.539) 9.416 1.963 ( 4.061 10.237 3.913) 11.687 1.974 ( 1.498 6.298 5.837) 8.717 2.106 ( 3.891 3.934 -0.557) 5.561 2.282 ( -4.354 -3.490 -1.545) 5.790 2.346 ( 2.093 5.855 1.289) 6.350 2.533 ( -6.140 2.558 9.369) 11.490 2.566 ( -2.679 1.398 0.220) 3.030 2.709 ( 2.115 -2.467 -0.046) 3.250 2.833 ( 3.055 -1.760 -0.215) 3.532 2.860 ( -0.054 0.030 -0.424) 0.428 2.969 ( 7.044 2.731 -4.106) 8.599 3.033 ( -0.169 -0.046 -3.395) 3.400 3.177 ( 0.480 2.387 -5.913) 6.395 3.226 ( -0.332 -0.176 4.660) 4.675 3.319 ( 0.716 2.930 -1.453) 3.348 3.422 ( -3.893 -4.765 -4.086) 7.386 3.426 ( 6.193 -5.697 -3.001) 8.935 3.617 ( -2.443 -6.186 2.131) 6.984 3.735 ( 0.503 -3.800 1.285) 4.043 3.842 ( 0.849 2.182 3.906) 4.554 3.964 ( 7.119 -2.159 1.557) 7.601 4.012 ( 0.668 0.395 -0.517) 0.932 4.082 ( -0.299 -6.411 -1.266) 6.542 4.184 ( 1.351 -3.971 2.433) 4.849 4.330 ( 4.359 -1.752 -2.623) 5.381 4.338 ( 2.660 -3.464 -0.817) 4.443 4.384 ( 1.984 0.217 4.762) 5.164 4.519 ( 1.587 -1.994 1.106) 2.778 4.557 ( 3.736 -6.344 -0.640) 7.390 4.588 ( -1.762 0.830 -0.875) 2.135 4.642 ( 1.546 0.982 -2.636) 3.210 4.784 ( -4.190 1.731 0.802) 4.604 4.831 ( -0.616 -5.599 4.562) 7.249 4.911 ( -1.649 0.933 2.442) 3.091 4.949 ( -0.056 -2.749 -3.744) 4.645 4.991 ( -2.419 0.524 -2.166) 3.289 5.099 ( 0.455 4.079 1.614) 4.410 5.135 ( -0.863 -4.752 -1.059) 4.945 5.255 ( 4.980 2.415 0.946) 5.615 5.312 ( 1.300 -7.519 2.088) 7.911 5.405 ( -2.037 4.074 3.087) 5.502 5.436 ( -6.769 1.789 -2.732) 7.516 5.532 ( -1.824 -3.436 1.273) 4.093 5.568 ( -0.729 4.518 0.850) 4.654 5.612 ( -2.213 1.312 -3.379) 4.247 5.772 ( -3.172 1.555 -1.137) 3.711 5.801 ( -2.970 2.636 -2.191) 4.535 5.916 ( 0.144 -2.165 3.210) 3.874 5.993 ( 4.471 1.325 1.232) 4.823 6.078 ( -2.794 -4.137 -1.231) 5.141 6.133 ( 0.934 1.459 -3.087) 3.540 6.286 ( 1.553 -3.306 -0.856) 3.752 6.394 ( -0.177 -2.046 -1.902) 2.799 6.516 ( 1.388 4.074 1.072) 4.436 6.580 ( 2.170 3.452 -2.739) 4.912 6.736 ( -3.661 5.580 1.572) 6.856 6.876 ( -3.292 2.771 2.995) 5.243 6.958 ( 0.110 -4.493 2.414) 5.101 7.046 ( -4.154 0.587 -2.866) 5.081 7.133 ( 0.892 -0.734 -2.951) 3.169 7.248 ( 0.941 -6.438 1.870) 6.770 7.338 ( -0.208 -4.542 4.037) 6.080 7.433 ( -2.448 -0.869 0.895) 2.747 7.690 ( 1.782 1.124 -0.367) 2.139 7.748 ( 0.561 -4.122 2.857) 5.047 7.775 ( 1.560 -3.843 0.319) 4.160 7.865 ( -0.550 -2.603 -2.278) 3.502 7.902 ( -6.548 -5.364 1.078) 8.533 7.945 ( -2.952 0.379 0.071) 2.977 8.061 ( 0.483 2.892 -1.908) 3.498 8.134 ( 2.583 0.058 -3.864) 4.649 8.218 ( 5.743 1.651 -2.591) 6.513 8.294 ( -2.039 2.412 0.643) 3.223 8.389 ( -2.487 1.030 -0.232) 2.702 8.430 ( -3.353 2.423 2.098) 4.638 8.618 ( -2.970 -0.459 4.375) 5.308 8.691 ( -3.952 0.109 5.457) 6.739 8.837 ( 2.466 2.769 -8.824) 9.571 8.982 ( -1.972 2.000 -7.321) 7.842 9.091 ( 1.550 1.140 3.556) 4.043 9.239 ( 1.028 2.924 -2.932) 4.266 9.448 ( 2.475 0.213 4.368) 5.025 9.657 ( -1.533 0.437 -4.010) 4.315 9.765 ( 1.013 -4.836 0.716) 4.993 9.861 ( 0.400 -1.141 1.639) 2.036 9.967 ( 0.595 -0.481 3.080) 3.173 10.041 ( -3.336 2.831 1.852) 4.751 10.144 ( 1.464 -0.167 -0.467) 1.546 10.186 ( -0.940 -5.804 1.776) 6.142 10.359 ( 0.425 3.035 3.530) 4.675 10.426 ( -1.112 -0.230 -0.776) 1.375 10.504 ( -5.868 -3.048 1.055) 6.696 10.632 ( -2.048 -2.452 -1.920) 3.728 10.706 ( 0.006 -0.105 -0.122) 0.161 10.835 ( -0.754 -0.627 0.581) 1.140 10.896 ( 4.654 0.346 3.420) 5.786 10.962 ( 4.463 -0.785 -5.404) 7.053 11.031 ( 1.220 -0.114 2.184) 2.504 11.142 ( -3.970 3.008 1.145) 5.110 11.239 ( 1.073 0.311 1.014) 1.509 11.324 ( -1.496 -2.247 3.091) 4.103 11.432 ( -0.078 -0.774 -1.685) 1.856 11.506 ( 1.793 -0.104 1.239) 2.181 11.559 ( 1.364 -1.009 -2.623) 3.124 11.694 ( 1.463 0.786 0.351) 1.698 11.902 ( 0.411 2.287 -0.291) 2.342 11.943 ( 3.265 5.387 -2.374) 6.732 12.167 ( -0.970 3.234 -0.268) 3.387 12.780 ( -0.678 -2.026 1.466) 2.591 12.944 ( -4.414 -3.122 -1.313) 5.563 13.306 ( 0.792 5.658 -0.335) 5.723 13.516 ( 0.152 1.193 -0.071) 1.205 14.606 ( 5.560 6.076 1.683) 8.406 15.028 ( 2.813 1.180 -1.584) 3.437 15.170 ( -2.539 4.425 -3.923) 6.435 15.251 ( -1.211 -3.711 -0.264) 3.912 15.684 ( -2.405 -3.607 0.528) 4.367 ======================= Grid point 158 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.051 22.763 -6.160) 23.582 1.539 ( 5.324 -0.979 -1.125) 5.529 1.834 ( 3.758 9.311 0.620) 10.060 1.919 ( -1.682 6.567 5.518) 8.741 1.947 ( 6.448 -3.333 2.883) 7.810 2.069 ( 3.873 2.739 -4.459) 6.510 2.238 ( 0.944 0.576 -1.186) 1.621 2.330 ( 2.939 4.513 2.672) 6.013 2.476 ( -8.394 1.993 -0.457) 8.640 2.499 ( -10.546 -1.848 8.312) 13.554 2.739 ( 1.411 1.686 -5.097) 5.551 2.758 ( -2.114 6.601 1.633) 7.121 2.840 ( -2.734 -0.050 -0.868) 2.869 2.972 ( 1.609 2.009 3.696) 4.504 2.995 ( 2.075 1.771 -3.231) 4.229 3.169 ( -0.805 -0.588 -1.641) 1.920 3.244 ( 1.094 2.247 1.804) 3.083 3.345 ( 5.780 -5.482 -1.066) 8.037 3.460 ( -2.600 -6.997 -5.739) 9.415 3.526 ( 4.264 -0.925 -2.936) 5.259 3.690 ( -1.148 -2.831 -0.501) 3.095 3.752 ( -3.297 0.747 2.789) 4.382 3.850 ( -1.257 -1.310 4.731) 5.067 3.967 ( 2.387 -0.501 0.068) 2.440 4.121 ( 6.248 -1.596 1.169) 6.554 4.138 ( -2.008 -3.274 0.432) 3.865 4.239 ( 1.515 2.895 -1.490) 3.591 4.340 ( 2.213 5.812 1.579) 6.416 4.388 ( 0.687 -5.996 -0.852) 6.095 4.459 ( 1.975 -1.855 0.655) 2.788 4.485 ( 0.261 5.272 -2.545) 5.860 4.565 ( 0.118 -1.037 -1.002) 1.447 4.638 ( 0.197 0.440 0.596) 0.766 4.672 ( -0.791 -3.062 -0.685) 3.236 4.805 ( 2.860 -3.253 -0.912) 4.426 4.846 ( -2.653 -1.286 0.653) 3.020 4.913 ( -1.101 -0.972 -1.139) 1.858 4.958 ( -0.209 -0.988 -0.876) 1.337 5.025 ( 1.618 -2.660 1.589) 3.496 5.076 ( 3.438 -0.218 1.491) 3.754 5.175 ( -1.913 -1.922 1.998) 3.369 5.278 ( 2.821 2.212 4.107) 5.451 5.344 ( -2.023 0.222 -1.013) 2.273 5.390 ( -2.983 -1.818 -3.345) 4.837 5.408 ( 1.984 -0.633 -0.888) 2.264 5.466 ( -0.121 -0.299 -0.528) 0.619 5.553 ( -3.404 0.009 -1.421) 3.689 5.631 ( -1.433 -2.688 -0.717) 3.130 5.680 ( -4.151 0.034 -1.307) 4.353 5.779 ( -2.553 -2.352 -0.141) 3.474 5.918 ( 0.807 2.551 3.558) 4.452 6.052 ( -2.356 0.800 -2.541) 3.557 6.098 ( -0.384 1.355 -1.140) 1.812 6.128 ( 6.646 -1.924 -0.964) 6.986 6.279 ( -1.119 3.551 -0.889) 3.828 6.349 ( 2.710 1.331 0.277) 3.032 6.481 ( -0.532 4.441 3.288) 5.552 6.601 ( -2.005 -4.653 -3.118) 5.949 6.662 ( 2.094 -0.208 -1.690) 2.699 6.796 ( -2.365 4.210 1.440) 5.039 6.984 ( 0.516 2.050 -2.722) 3.447 7.070 ( -2.755 -4.975 4.884) 7.496 7.136 ( -0.339 -0.428 -0.115) 0.558 7.339 ( 1.656 -6.197 -7.839) 10.129 7.420 ( 0.233 -2.086 -0.048) 2.100 7.495 ( 0.684 -4.536 9.426) 10.484 7.658 ( -2.001 4.131 1.724) 4.903 7.787 ( -0.856 -0.961 -0.275) 1.317 7.838 ( -1.787 -1.906 -1.954) 3.262 7.892 ( 0.654 -4.221 2.965) 5.200 7.923 ( -3.074 -2.346 1.022) 4.000 7.983 ( -0.191 -1.348 0.257) 1.386 8.023 ( 2.235 -2.833 1.009) 3.747 8.178 ( 3.633 0.895 -0.845) 3.835 8.249 ( 3.414 -3.830 -3.360) 6.133 8.289 ( 3.191 -1.562 2.498) 4.343 8.310 ( -2.895 5.052 -0.579) 5.851 8.385 ( -3.105 1.174 3.498) 4.823 8.637 ( -2.807 0.239 4.376) 5.204 8.669 ( 0.671 2.068 -2.026) 2.971 8.766 ( -0.852 0.499 -6.366) 6.442 8.900 ( -2.509 -0.220 -4.837) 5.453 9.113 ( 0.707 -0.374 1.325) 1.547 9.184 ( 0.774 2.407 -2.801) 3.774 9.480 ( 3.202 1.964 4.819) 6.110 9.626 ( -1.666 -0.115 -2.655) 3.137 9.829 ( 0.921 -1.807 0.364) 2.061 9.892 ( 0.053 -0.890 -0.230) 0.920 9.978 ( -1.828 1.926 1.292) 2.953 10.016 ( 1.205 -2.205 2.651) 3.653 10.145 ( -0.086 0.493 -0.152) 0.523 10.299 ( 0.547 -1.580 1.002) 1.949 10.326 ( -1.132 -3.286 2.539) 4.304 10.420 ( 0.492 1.047 -0.046) 1.158 10.507 ( -3.231 -1.515 -0.477) 3.600 10.630 ( -2.503 -2.006 -2.178) 3.878 10.692 ( 0.200 1.245 -2.264) 2.592 10.842 ( -0.645 0.484 3.468) 3.561 10.940 ( 3.872 0.493 0.293) 3.915 10.986 ( 2.908 -0.798 -2.812) 4.123 11.072 ( 1.100 -0.568 1.440) 1.899 11.075 ( -4.191 0.728 4.146) 5.941 11.260 ( 2.356 -0.137 0.671) 2.454 11.358 ( -0.253 -0.916 1.661) 1.914 11.437 ( -1.945 -1.246 0.974) 2.507 11.517 ( 2.712 1.366 -1.035) 3.208 11.562 ( 0.825 -0.171 -2.369) 2.514 11.703 ( 0.960 -0.678 -0.044) 1.176 11.825 ( 0.168 5.690 -1.945) 6.015 11.897 ( 1.003 2.590 -0.049) 2.778 12.114 ( -1.001 2.128 0.121) 2.355 12.807 ( -2.609 -1.507 2.186) 3.723 12.941 ( -3.322 -2.632 -2.642) 4.994 13.225 ( 1.254 4.594 -1.291) 4.934 13.497 ( -0.049 1.051 0.077) 1.055 14.556 ( 3.334 6.402 1.370) 7.347 15.018 ( 0.869 1.203 -0.808) 1.690 15.066 ( -2.948 1.858 -1.693) 3.874 15.312 ( 1.219 -3.463 -2.388) 4.380 15.726 ( -0.986 -3.007 1.582) 3.538 ======================= Grid point 159 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -1.174 21.723 -9.521) 23.747 1.576 ( 1.012 0.415 4.025) 4.172 1.759 ( -1.292 8.917 7.026) 11.426 1.775 ( -1.864 4.508 -1.680) 5.159 1.947 ( 4.905 9.517 -8.450) 13.639 2.076 ( -1.122 -3.149 5.194) 6.176 2.262 ( 0.887 4.404 -0.195) 4.496 2.311 ( 3.801 -0.022 0.774) 3.879 2.353 ( -6.892 1.393 -1.893) 7.281 2.491 ( -8.770 -0.569 8.208) 12.025 2.637 ( 0.946 4.975 -1.064) 5.175 2.716 ( 1.267 0.155 -2.087) 2.446 2.848 ( 1.219 -4.019 -2.416) 4.845 2.974 ( -1.202 -1.031 1.488) 2.173 3.024 ( 1.922 0.248 6.583) 6.862 3.140 ( -0.717 1.008 -2.176) 2.503 3.213 ( 2.263 3.553 -1.493) 4.469 3.450 ( -0.115 -1.153 0.100) 1.163 3.478 ( 0.020 4.242 -2.680) 5.017 3.531 ( -1.100 -7.594 -1.163) 7.760 3.692 ( 3.497 4.122 1.415) 5.588 3.708 ( -2.642 1.552 -1.087) 3.251 3.909 ( -2.398 -2.169 5.163) 6.092 4.032 ( 4.300 -1.886 -3.141) 5.649 4.115 ( -3.190 3.893 0.493) 5.057 4.142 ( 1.448 7.263 -1.527) 7.562 4.158 ( 4.495 5.167 -0.943) 6.913 4.243 ( 0.869 4.030 -1.534) 4.398 4.340 ( -0.514 6.595 -5.364) 8.517 4.438 ( -0.136 2.006 1.079) 2.282 4.462 ( -0.902 3.256 0.089) 3.380 4.555 ( -0.017 0.643 -1.205) 1.366 4.689 ( -1.384 -0.382 3.711) 3.978 4.721 ( 0.771 -6.680 1.283) 6.845 4.786 ( 1.896 -0.969 -2.761) 3.486 4.863 ( 0.230 2.902 0.936) 3.058 4.921 ( -3.698 3.389 0.247) 5.022 4.987 ( 0.586 -3.693 0.634) 3.792 5.081 ( 2.274 -3.005 -5.269) 6.478 5.112 ( 1.125 -2.185 1.031) 2.665 5.223 ( 1.281 3.839 7.511) 8.532 5.285 ( 0.890 -6.164 1.437) 6.392 5.378 ( 1.971 -7.729 -0.202) 7.979 5.411 ( -3.446 0.381 -5.689) 6.662 5.470 ( 5.318 -0.184 0.350) 5.333 5.484 ( -0.993 -6.848 0.724) 6.958 5.513 ( -2.759 -1.355 -2.143) 3.747 5.590 ( -2.777 2.448 -2.592) 4.519 5.687 ( -0.226 -3.016 -1.363) 3.317 5.822 ( 0.102 -2.661 -1.249) 2.941 5.874 ( -0.509 5.656 2.734) 6.302 5.969 ( -2.999 4.798 1.835) 5.948 6.041 ( 2.312 4.316 -2.593) 5.540 6.163 ( -2.150 -1.115 1.323) 2.760 6.252 ( 2.724 -2.874 -6.024) 7.208 6.326 ( 1.048 4.323 1.005) 4.560 6.532 ( -1.304 -5.768 8.588) 10.427 6.638 ( -2.317 -4.570 0.085) 5.124 6.706 ( 3.360 -1.911 -4.270) 5.760 6.736 ( -1.623 1.645 2.582) 3.465 6.961 ( 2.458 1.142 -1.164) 2.950 7.037 ( -2.549 5.048 -3.330) 6.563 7.169 ( -0.762 -2.691 0.313) 2.814 7.404 ( 0.169 -4.757 -2.199) 5.243 7.491 ( -0.302 -5.287 0.276) 5.303 7.524 ( 1.341 5.255 1.498) 5.626 7.634 ( -1.895 -2.424 4.216) 5.219 7.784 ( -1.481 -0.025 0.186) 1.493 7.897 ( 3.445 -4.915 -0.470) 6.021 7.925 ( 1.834 0.330 3.428) 3.902 7.950 ( -6.985 0.894 6.199) 9.382 7.985 ( -2.178 -0.747 -0.035) 2.302 8.100 ( 5.821 -1.042 -4.140) 7.219 8.132 ( 2.761 7.711 0.161) 8.192 8.204 ( -1.782 2.177 -2.811) 3.977 8.350 ( -1.814 -6.869 2.510) 7.535 8.402 ( -1.032 -4.189 2.244) 4.862 8.428 ( 5.962 -7.121 0.368) 9.294 8.594 ( -2.699 3.828 3.042) 5.585 8.635 ( 3.165 1.687 -2.645) 4.457 8.707 ( -2.703 -0.772 -7.408) 7.924 8.934 ( -0.768 -6.973 -0.675) 7.047 9.125 ( 0.080 -0.096 0.315) 0.339 9.145 ( -0.033 0.956 -2.145) 2.349 9.514 ( 4.473 1.530 3.807) 6.070 9.578 ( -3.001 2.153 -1.249) 3.899 9.833 ( -1.172 1.688 0.822) 2.213 9.885 ( 1.075 -0.366 -2.069) 2.360 9.987 ( -0.090 -1.889 1.073) 2.174 10.061 ( -0.210 -0.143 1.096) 1.125 10.134 ( -0.417 0.430 0.563) 0.822 10.278 ( -0.506 0.162 1.483) 1.575 10.398 ( 0.078 1.635 0.688) 1.776 10.462 ( -0.308 -4.873 0.770) 4.943 10.475 ( -0.956 -0.713 -1.044) 1.585 10.640 ( -0.392 -1.475 -0.620) 1.647 10.651 ( 0.723 1.142 -3.547) 3.796 10.847 ( -1.800 1.018 5.025) 5.433 10.941 ( 0.089 1.294 -3.146) 3.403 10.976 ( -1.424 1.448 1.617) 2.596 11.056 ( 2.356 0.704 -0.434) 2.497 11.147 ( 0.348 -4.260 2.741) 5.078 11.278 ( 1.907 0.408 -1.191) 2.285 11.363 ( -0.753 0.826 0.892) 1.430 11.457 ( -0.363 -1.522 2.381) 2.849 11.500 ( 1.986 1.540 -2.743) 3.720 11.554 ( 1.927 1.290 -1.486) 2.754 11.725 ( 0.927 4.225 -0.685) 4.380 11.740 ( -1.373 -2.308 -0.291) 2.701 11.867 ( 0.398 1.948 -0.144) 1.993 12.090 ( -0.828 0.179 0.865) 1.210 12.810 ( -4.511 -0.914 3.010) 5.500 12.933 ( -0.995 -0.050 -0.971) 1.391 13.183 ( 1.711 0.446 -2.642) 3.179 13.487 ( -0.220 0.211 0.238) 0.387 14.483 ( 0.380 5.485 0.848) 5.563 14.960 ( -0.270 4.685 -0.364) 4.707 15.082 ( -0.150 -4.776 0.488) 4.803 15.340 ( 1.467 -0.845 -3.639) 4.013 15.782 ( -0.781 -3.539 1.805) 4.048 ======================= Grid point 160 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 9.152 -18.075 -0.684) 20.271 1.541 ( -1.374 12.938 11.481) 17.353 1.624 ( -3.273 0.012 -5.396) 6.311 1.763 ( 3.257 8.486 -4.852) 10.304 1.804 ( -0.037 -4.919 -1.206) 5.065 2.040 ( 2.927 14.554 1.566) 14.928 2.194 ( 0.151 -3.369 1.337) 3.628 2.332 ( -4.923 -2.739 -1.365) 5.797 2.351 ( -0.478 -0.808 1.111) 1.454 2.480 ( 1.920 3.309 7.354) 8.290 2.626 ( 1.333 -0.694 3.806) 4.092 2.721 ( 1.501 -1.091 -3.443) 3.911 2.918 ( -1.640 -4.406 -0.048) 4.701 3.018 ( -0.212 -2.902 3.753) 4.749 3.075 ( 1.870 -0.357 4.604) 4.983 3.090 ( 0.343 4.207 -3.399) 5.419 3.176 ( 3.737 -0.015 -6.636) 7.616 3.371 ( 2.262 7.010 0.982) 7.431 3.454 ( -4.682 -1.110 2.028) 5.222 3.589 ( -0.628 8.866 -4.190) 9.826 3.637 ( 0.995 0.627 2.822) 3.057 3.657 ( 1.966 0.462 -0.976) 2.243 3.897 ( 1.924 8.878 -3.322) 9.673 3.953 ( 0.751 1.890 5.310) 5.686 3.997 ( -0.389 7.215 -4.621) 8.577 4.087 ( 0.985 5.496 -1.994) 5.929 4.123 ( -1.394 0.138 -2.118) 2.539 4.186 ( 2.795 5.314 0.742) 6.050 4.232 ( 3.913 4.456 -2.685) 6.510 4.347 ( -0.225 5.528 -0.945) 5.613 4.464 ( -1.050 -2.700 1.150) 3.117 4.551 ( 0.536 -0.108 -0.404) 0.680 4.664 ( -3.910 7.437 -0.581) 8.423 4.702 ( -1.511 5.205 1.825) 5.719 4.770 ( 2.792 4.907 -2.989) 6.388 4.824 ( 1.497 -3.263 1.262) 3.805 4.977 ( -0.243 -2.906 1.053) 3.100 5.019 ( -4.028 -3.807 1.501) 5.742 5.091 ( -0.542 -3.862 -1.794) 4.293 5.181 ( -1.712 -3.133 -0.748) 3.648 5.217 ( 3.660 2.004 -0.691) 4.230 5.307 ( -1.633 0.281 -0.625) 1.770 5.418 ( 2.544 -2.814 2.096) 4.334 5.450 ( -1.116 3.512 -3.898) 5.364 5.476 ( -0.707 5.992 -1.094) 6.132 5.519 ( 3.239 -0.596 0.810) 3.392 5.592 ( 1.081 -11.766 2.049) 11.992 5.604 ( 1.367 -3.422 2.390) 4.392 5.735 ( -1.777 -4.912 -3.093) 6.071 5.777 ( -1.406 4.358 3.587) 5.817 5.837 ( -1.037 0.845 -1.633) 2.111 5.905 ( -1.728 0.505 0.227) 1.814 6.014 ( 3.549 -0.769 -2.774) 4.570 6.167 ( -1.705 1.728 1.867) 3.062 6.278 ( -0.693 -5.332 2.105) 5.775 6.366 ( 1.571 -3.480 -1.683) 4.173 6.598 ( -1.756 1.229 4.513) 4.997 6.651 ( 0.459 2.625 -3.297) 4.240 6.730 ( -1.826 -5.727 -1.050) 6.101 6.798 ( -0.291 -2.246 7.358) 7.698 6.908 ( -2.366 -0.728 -7.533) 7.930 6.977 ( 4.720 1.967 0.394) 5.129 7.180 ( -0.958 0.885 -0.316) 1.342 7.405 ( -2.935 1.318 0.162) 3.221 7.475 ( 2.832 1.263 -1.154) 3.309 7.605 ( -4.143 -5.959 0.455) 7.272 7.676 ( 2.218 -1.271 2.935) 3.892 7.772 ( -1.919 0.640 1.076) 2.291 7.872 ( -3.122 5.830 3.079) 7.295 7.904 ( -3.068 2.225 -2.156) 4.361 7.966 ( -1.589 -0.303 4.423) 4.709 8.005 ( -0.266 7.919 0.436) 7.935 8.028 ( 3.004 -4.457 -0.642) 5.413 8.103 ( 2.268 -0.306 -5.827) 6.260 8.214 ( 1.583 -3.411 -0.150) 3.764 8.404 ( -4.130 -2.219 2.518) 5.321 8.487 ( -0.686 2.058 -0.999) 2.388 8.509 ( -2.130 -4.443 0.572) 4.960 8.618 ( 4.355 -5.202 1.027) 6.862 8.643 ( 4.838 -0.896 -1.683) 5.201 8.696 ( -1.421 -3.772 -2.392) 4.687 9.035 ( -1.786 -5.006 1.291) 5.470 9.111 ( 0.597 0.995 -0.726) 1.369 9.164 ( 0.639 -4.714 -0.815) 4.826 9.473 ( -4.544 3.462 -2.263) 6.144 9.582 ( 5.159 -1.159 1.170) 5.416 9.808 ( -1.321 0.867 2.911) 3.312 9.893 ( 0.736 -1.361 -3.108) 3.472 10.020 ( 0.217 -0.500 1.706) 1.791 10.024 ( -1.392 3.292 -0.464) 3.604 10.139 ( -1.161 -1.659 0.714) 2.147 10.307 ( -1.605 -2.107 0.613) 2.719 10.370 ( -0.113 2.410 -1.115) 2.658 10.405 ( 2.861 4.636 2.145) 5.855 10.559 ( -3.799 -2.757 0.139) 4.696 10.619 ( 1.747 -0.736 -2.032) 2.779 10.693 ( 0.528 -3.651 0.938) 3.807 10.838 ( -3.365 1.198 3.401) 4.932 10.877 ( -2.709 1.401 -1.368) 3.342 10.949 ( 1.538 3.264 0.441) 3.635 11.070 ( 3.269 0.256 -0.787) 3.372 11.229 ( 0.337 -3.565 0.794) 3.668 11.272 ( -0.425 -0.705 -3.247) 3.350 11.333 ( -0.829 2.551 1.385) 3.019 11.453 ( -0.075 1.649 -2.819) 3.267 11.520 ( 2.591 -1.444 -0.390) 2.992 11.538 ( 2.041 1.309 -0.787) 2.550 11.652 ( -0.766 3.395 -0.099) 3.482 11.798 ( 0.334 -4.284 0.123) 4.299 11.838 ( -0.324 1.610 -0.291) 1.668 12.108 ( 0.555 -1.871 1.288) 2.338 12.790 ( -5.337 1.364 5.110) 7.514 12.918 ( 2.518 2.338 0.511) 3.474 13.211 ( 1.373 -3.983 -2.374) 4.836 13.490 ( -0.207 -0.647 0.310) 0.747 14.412 ( -0.136 3.370 -0.112) 3.375 14.889 ( 2.314 5.075 0.247) 5.584 15.191 ( -0.210 -7.697 1.761) 7.898 15.315 ( 1.119 2.474 -3.982) 4.819 15.841 ( -2.295 -4.265 1.485) 5.066 ======================= Grid point 164 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 13.945 -0.000 -8.418) 16.289 1.423 ( 17.674 -0.000 -3.449) 18.007 1.741 ( -5.290 0.000 -1.026) 5.389 2.076 ( -2.702 0.000 7.409) 7.886 2.131 ( 1.313 -0.000 3.103) 3.370 2.189 ( -7.197 0.000 -2.939) 7.774 2.290 ( 6.302 -0.000 12.575) 14.066 2.422 ( 7.301 -0.000 -0.768) 7.341 2.515 ( 7.798 -0.000 -0.976) 7.859 2.563 ( 6.511 -0.000 -0.989) 6.586 2.678 ( 13.940 -0.000 -9.831) 17.057 2.716 ( -4.668 0.000 0.504) 4.695 2.944 ( 4.990 -0.000 0.071) 4.991 2.991 ( -4.054 0.000 6.327) 7.514 3.030 ( -3.925 0.000 2.030) 4.419 3.204 ( 2.031 -0.000 1.653) 2.619 3.262 ( 0.154 -0.000 -2.836) 2.841 3.335 ( 6.289 -0.000 -8.017) 10.189 3.353 ( -0.243 0.000 -7.534) 7.538 3.419 ( -7.326 0.000 1.599) 7.498 3.571 ( 0.512 -0.000 2.551) 2.601 3.678 ( -0.248 0.000 -2.030) 2.045 3.723 ( 5.171 -0.000 0.871) 5.244 3.892 ( 4.061 -0.000 1.910) 4.487 3.961 ( 3.767 -0.000 1.230) 3.962 4.068 ( 2.977 -0.000 -2.241) 3.726 4.133 ( 0.385 -0.000 -0.727) 0.823 4.210 ( -0.772 0.000 1.880) 2.032 4.305 ( 3.933 -0.000 0.541) 3.970 4.355 ( -0.768 0.000 4.469) 4.535 4.428 ( 3.159 -0.000 -2.534) 4.050 4.484 ( -5.435 0.000 -1.430) 5.620 4.591 ( 3.661 -0.000 6.207) 7.207 4.713 ( -0.718 0.000 1.326) 1.508 4.739 ( -1.613 0.000 -3.500) 3.854 4.806 ( 0.756 -0.000 0.529) 0.923 4.934 ( -2.578 0.000 -1.097) 2.801 4.957 ( 0.254 -0.000 4.380) 4.387 4.982 ( 3.478 -0.000 0.932) 3.600 5.090 ( -4.157 0.000 -0.041) 4.158 5.091 ( 0.603 -0.000 4.383) 4.424 5.121 ( 3.418 -0.000 2.699) 4.355 5.362 ( 4.177 -0.000 1.336) 4.386 5.410 ( -6.937 0.000 -3.350) 7.704 5.479 ( -1.737 0.000 -0.951) 1.980 5.574 ( -7.999 0.000 0.187) 8.001 5.595 ( 1.139 -0.000 -3.548) 3.726 5.729 ( 0.198 -0.000 -2.779) 2.786 5.802 ( 0.377 -0.000 -0.697) 0.792 5.804 ( -0.101 0.000 -2.322) 2.325 5.876 ( 1.068 -0.000 1.846) 2.133 5.913 ( -4.900 0.000 -2.635) 5.564 6.057 ( 6.181 -0.000 -1.818) 6.443 6.145 ( -1.767 0.000 -1.088) 2.075 6.231 ( -3.108 0.000 -2.374) 3.911 6.317 ( -1.862 0.000 6.558) 6.817 6.567 ( -0.493 0.000 3.225) 3.262 6.702 ( -2.600 0.000 -0.372) 2.627 6.794 ( -1.903 0.000 4.874) 5.233 6.902 ( 1.113 -0.000 1.656) 1.995 6.907 ( -0.013 0.000 -1.478) 1.478 7.046 ( -3.628 0.000 3.588) 5.102 7.105 ( -1.724 0.000 -10.218) 10.362 7.177 ( -4.337 0.000 8.449) 9.497 7.354 ( 0.331 -0.000 -1.260) 1.303 7.362 ( 1.078 -0.000 -0.521) 1.198 7.675 ( -0.842 0.000 2.011) 2.181 7.709 ( 1.262 -0.000 -1.700) 2.118 7.746 ( -0.072 0.000 -2.045) 2.046 7.761 ( -2.539 0.000 -2.441) 3.522 7.789 ( 1.330 -0.000 -1.396) 1.928 7.935 ( -1.546 0.000 0.222) 1.562 8.038 ( -5.601 0.000 -8.743) 10.383 8.217 ( 8.778 -0.000 -0.740) 8.809 8.277 ( -2.689 0.000 5.682) 6.286 8.324 ( -0.366 0.000 -1.437) 1.483 8.397 ( -3.451 0.000 -0.721) 3.526 8.475 ( -2.668 0.000 -0.887) 2.812 8.653 ( -3.409 0.000 2.688) 4.341 8.662 ( -4.179 0.000 7.288) 8.401 8.869 ( 2.504 -0.000 -7.553) 7.958 9.043 ( -0.233 0.000 -9.564) 9.567 9.200 ( 3.046 -0.000 6.811) 7.461 9.232 ( -1.142 0.000 -3.135) 3.336 9.443 ( 3.470 -0.000 1.591) 3.817 9.606 ( -0.120 0.000 1.008) 1.015 9.693 ( -2.877 0.000 -2.637) 3.903 9.892 ( -0.202 0.000 -0.175) 0.267 9.938 ( 0.313 -0.000 7.043) 7.050 10.065 ( -1.155 0.000 5.166) 5.294 10.094 ( 0.283 -0.000 -0.644) 0.703 10.242 ( -3.565 0.000 4.301) 5.587 10.246 ( -1.170 0.000 -2.558) 2.813 10.455 ( -2.426 0.000 -0.449) 2.467 10.513 ( -0.824 0.000 3.144) 3.250 10.570 ( -1.857 0.000 2.631) 3.220 10.714 ( 0.319 -0.000 -3.491) 3.505 10.790 ( 0.184 -0.000 -3.956) 3.960 10.897 ( 5.483 -0.000 5.576) 7.820 10.926 ( -0.843 0.000 0.474) 0.967 11.066 ( 5.438 -0.000 -5.225) 7.541 11.194 ( 0.428 -0.000 -1.490) 1.550 11.262 ( 0.626 -0.000 3.977) 4.026 11.272 ( -6.407 0.000 4.068) 7.590 11.433 ( 1.514 -0.000 -4.016) 4.292 11.483 ( 0.246 -0.000 4.617) 4.623 11.536 ( 2.153 -0.000 -3.283) 3.926 11.715 ( 1.326 -0.000 0.539) 1.431 11.935 ( 0.599 -0.000 1.512) 1.626 12.051 ( 4.546 -0.000 -4.547) 6.430 12.236 ( -2.201 0.000 0.689) 2.307 12.746 ( 0.633 -0.000 -1.264) 1.413 12.877 ( -3.571 0.000 1.178) 3.760 13.416 ( -0.084 0.000 0.506) 0.513 13.534 ( 0.509 -0.000 -0.323) 0.603 14.723 ( 3.536 -0.000 2.480) 4.319 15.099 ( 7.501 -0.000 0.109) 7.502 15.099 ( 1.131 -0.000 -0.941) 1.471 15.351 ( -11.477 0.000 -8.097) 14.046 15.555 ( 0.772 -0.000 1.165) 1.398 ======================= Grid point 165 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 9.089 4.076 -5.026) 11.157 1.530 ( 8.037 3.127 -0.775) 8.659 1.720 ( 4.092 -5.922 -0.546) 7.219 2.067 ( -4.032 3.140 6.334) 8.139 2.098 ( -13.061 -4.339 -2.427) 13.975 2.138 ( 0.756 3.392 3.926) 5.243 2.292 ( 7.587 11.598 0.017) 13.859 2.427 ( -1.499 1.431 3.991) 4.497 2.575 ( -1.109 3.018 0.047) 3.216 2.614 ( 4.292 1.425 -0.192) 4.526 2.698 ( 2.803 -2.074 0.672) 3.551 2.801 ( 8.278 -5.562 -5.987) 11.632 2.900 ( 0.144 4.667 6.237) 7.791 3.010 ( -1.887 0.373 2.454) 3.118 3.074 ( 6.507 -0.135 -1.938) 6.791 3.203 ( 1.415 5.359 -9.276) 10.805 3.227 ( -1.690 -1.876 3.347) 4.193 3.276 ( -5.034 -2.615 -1.415) 5.847 3.347 ( 0.489 0.516 -1.772) 1.909 3.422 ( 2.258 -2.943 -3.806) 5.315 3.514 ( -3.640 1.559 -0.724) 4.025 3.700 ( 2.653 -4.395 3.612) 6.277 3.886 ( 1.960 -5.754 -0.114) 6.080 3.925 ( 2.894 -2.513 1.564) 4.140 4.008 ( -0.317 -2.287 -1.154) 2.581 4.047 ( 1.438 0.600 -1.942) 2.490 4.159 ( 2.940 -1.249 1.414) 3.494 4.262 ( -0.302 -3.683 0.007) 3.695 4.343 ( 3.013 -1.165 -0.229) 3.238 4.390 ( -1.969 -1.581 0.714) 2.624 4.445 ( 0.241 -3.875 -0.506) 3.916 4.463 ( -2.564 -3.992 -1.553) 4.993 4.643 ( 2.573 1.579 3.430) 4.569 4.667 ( -0.985 0.632 -3.056) 3.272 4.757 ( -1.826 -2.522 4.243) 5.263 4.841 ( 1.013 3.247 1.813) 3.854 4.883 ( 2.592 -0.289 0.265) 2.621 4.968 ( -0.129 2.412 0.021) 2.415 4.994 ( 0.694 0.728 0.174) 1.021 5.055 ( -1.460 -2.394 0.046) 2.805 5.186 ( 3.936 0.818 3.136) 5.098 5.223 ( 0.751 -5.770 5.278) 7.856 5.293 ( -4.136 1.293 -2.385) 4.946 5.405 ( 2.945 0.361 -2.027) 3.593 5.463 ( -4.114 -1.287 -2.219) 4.848 5.497 ( -1.417 3.454 2.564) 4.529 5.568 ( 0.187 1.401 0.289) 1.443 5.696 ( 1.045 3.987 -1.962) 4.565 5.743 ( -3.206 1.583 -0.900) 3.687 5.798 ( -2.704 1.528 -3.733) 4.855 5.871 ( -0.064 -2.845 0.906) 2.986 5.950 ( -1.706 -4.584 -4.033) 6.340 6.124 ( 2.873 -3.215 -3.452) 5.523 6.132 ( -0.692 4.623 7.102) 8.502 6.166 ( 0.385 -4.629 -2.933) 5.493 6.349 ( -1.721 -0.654 1.196) 2.196 6.595 ( 1.182 2.814 -1.754) 3.520 6.659 ( 1.500 0.896 2.133) 2.757 6.791 ( -3.855 1.812 5.130) 6.668 6.863 ( -4.108 2.246 1.300) 4.859 6.915 ( -0.826 -0.136 -0.517) 0.984 7.031 ( 0.367 0.101 -2.061) 2.096 7.078 ( 2.288 -3.971 -8.317) 9.496 7.229 ( -2.455 -0.092 7.337) 7.737 7.302 ( -1.202 -1.319 6.136) 6.391 7.408 ( -0.078 -1.624 -0.701) 1.770 7.688 ( -0.147 -2.458 -0.362) 2.488 7.721 ( -0.652 -0.455 0.700) 1.060 7.737 ( 1.004 -2.256 -0.806) 2.598 7.774 ( -3.181 -3.801 -0.684) 5.003 7.815 ( -0.009 -1.915 -1.817) 2.639 7.927 ( -4.121 0.268 -0.713) 4.191 7.977 ( 2.771 -4.616 -7.046) 8.867 8.215 ( 0.933 6.511 -0.031) 6.578 8.303 ( 2.294 -0.184 1.533) 2.765 8.309 ( 3.647 1.657 -1.819) 4.399 8.367 ( -2.356 -0.283 -0.139) 2.377 8.428 ( -4.140 1.131 -0.035) 4.292 8.630 ( -2.507 1.183 4.526) 5.307 8.688 ( -3.201 -0.822 6.199) 7.025 8.837 ( 2.168 0.776 -7.487) 7.833 8.966 ( -0.503 2.365 -7.593) 7.968 9.180 ( 1.794 3.297 0.652) 3.809 9.254 ( 0.603 1.053 0.295) 1.249 9.467 ( 1.670 -0.456 1.434) 2.248 9.643 ( -1.575 1.569 -1.870) 2.905 9.679 ( 0.271 -6.028 0.543) 6.059 9.884 ( 0.201 0.469 1.663) 1.739 9.989 ( 0.459 -0.232 4.758) 4.786 10.065 ( -1.364 1.576 2.688) 3.401 10.127 ( -0.768 -2.414 2.144) 3.319 10.170 ( 0.941 2.039 0.153) 2.251 10.327 ( -1.793 -6.597 0.583) 6.861 10.437 ( -3.118 -0.193 0.288) 3.137 10.474 ( 0.491 5.054 2.823) 5.809 10.588 ( -0.178 -0.872 -1.614) 1.844 10.709 ( -0.165 -0.259 0.514) 0.599 10.791 ( -0.371 -2.914 -2.531) 3.878 10.929 ( 0.541 -0.480 0.032) 0.724 10.970 ( 2.662 -0.538 3.245) 4.231 11.068 ( 3.782 1.133 -3.227) 5.099 11.169 ( -1.222 2.240 -0.332) 2.573 11.254 ( -2.023 -0.171 3.972) 4.461 11.310 ( 0.170 -1.439 4.898) 5.108 11.416 ( 1.101 0.155 -3.658) 3.823 11.519 ( 0.803 -0.839 2.422) 2.686 11.533 ( 0.872 -0.799 -4.224) 4.386 11.720 ( 0.693 0.767 0.401) 1.109 11.935 ( -0.458 1.458 1.720) 2.301 12.026 ( 3.136 3.616 -4.510) 6.576 12.203 ( -1.744 2.319 0.730) 2.992 12.757 ( 0.485 -1.514 -0.159) 1.598 12.858 ( -3.933 -1.461 -1.039) 4.323 13.387 ( 0.094 3.766 0.278) 3.777 13.531 ( 0.152 0.588 -0.264) 0.662 14.734 ( 2.668 3.463 2.060) 4.833 15.076 ( 2.891 2.397 -1.613) 4.088 15.178 ( -5.747 4.046 -4.115) 8.145 15.188 ( 1.820 -3.149 -1.493) 3.932 15.608 ( -0.579 -4.168 0.844) 4.292 ======================= Grid point 166 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.337 18.419 -2.323) 18.613 1.538 ( 2.399 -0.693 -3.528) 4.322 1.913 ( 2.426 -3.957 3.774) 5.982 2.003 ( -5.690 2.486 6.286) 8.836 2.050 ( -2.258 5.841 4.342) 7.621 2.111 ( -2.178 -5.283 -4.062) 7.011 2.159 ( 5.391 7.052 -5.405) 10.393 2.415 ( -1.579 0.747 1.911) 2.589 2.474 ( -4.887 5.808 2.402) 7.962 2.575 ( -0.063 7.569 7.645) 10.758 2.718 ( -1.776 -0.006 -3.126) 3.595 2.829 ( 1.886 1.501 -3.899) 4.584 2.874 ( 1.871 5.546 1.008) 5.939 2.999 ( -1.371 1.348 -0.253) 1.939 3.083 ( 2.259 3.125 2.099) 4.390 3.157 ( 4.185 -0.213 -1.576) 4.477 3.220 ( -4.679 -4.566 -2.697) 7.072 3.286 ( -5.185 -2.668 1.788) 6.100 3.352 ( 4.864 -1.701 -4.423) 6.791 3.474 ( 1.124 -4.232 -1.542) 4.642 3.579 ( 0.940 -8.543 -2.312) 8.900 3.767 ( -0.497 1.281 3.802) 4.043 3.909 ( 1.283 1.784 3.073) 3.778 3.961 ( -0.990 -0.609 -3.507) 3.695 4.046 ( -1.345 -5.240 2.422) 5.928 4.156 ( 6.153 -4.561 2.329) 8.006 4.240 ( -0.178 -7.304 0.797) 7.350 4.256 ( -1.723 0.578 -4.894) 5.220 4.389 ( 0.791 -1.698 -0.524) 1.945 4.406 ( -0.642 -3.464 -2.281) 4.197 4.513 ( -3.221 -4.348 2.383) 5.913 4.558 ( 1.315 -7.452 -0.886) 7.619 4.623 ( 3.322 6.200 0.085) 7.034 4.665 ( 0.483 -3.009 -1.514) 3.403 4.753 ( 0.275 3.213 0.806) 3.324 4.818 ( -3.371 -1.040 1.639) 3.889 4.909 ( 1.186 1.145 0.491) 1.720 4.959 ( 1.410 2.216 -0.751) 2.732 5.021 ( 3.789 -2.969 2.256) 5.316 5.080 ( -0.054 -1.947 -1.998) 2.790 5.188 ( 2.374 1.354 2.060) 3.422 5.215 ( -5.261 -2.870 -3.820) 7.106 5.332 ( -2.624 -2.045 4.922) 5.941 5.417 ( 1.350 0.648 0.241) 1.517 5.460 ( -1.225 -0.334 -3.554) 3.774 5.473 ( 5.528 4.950 2.864) 7.953 5.540 ( -1.327 1.442 -1.470) 2.449 5.620 ( 1.917 2.618 0.160) 3.249 5.676 ( -3.151 4.720 -1.242) 5.810 5.720 ( -1.892 -1.670 -0.195) 2.531 5.932 ( -1.757 -2.863 2.067) 3.945 5.987 ( 1.013 -3.144 -3.423) 4.757 6.129 ( -1.725 1.607 2.243) 3.254 6.174 ( 4.718 -1.906 5.701) 7.641 6.251 ( -1.047 -4.033 -3.875) 5.690 6.326 ( -1.588 -1.375 -5.304) 5.704 6.527 ( 1.197 1.733 -3.087) 3.737 6.630 ( 1.061 7.590 2.132) 7.955 6.704 ( -0.893 5.628 -0.182) 5.702 6.849 ( -2.552 2.476 2.591) 4.400 6.914 ( -4.225 -4.619 2.274) 6.660 7.055 ( 3.144 -2.214 1.643) 4.181 7.130 ( 2.874 -3.202 -4.063) 5.918 7.216 ( 0.099 -1.601 -4.976) 5.228 7.410 ( 0.817 -0.043 -0.830) 1.165 7.463 ( -1.161 -7.842 12.177) 14.530 7.703 ( -0.148 1.403 0.541) 1.511 7.748 ( -2.023 -1.691 -0.181) 2.643 7.785 ( -1.504 -3.411 -1.125) 3.894 7.792 ( -2.778 -3.724 1.873) 5.009 7.843 ( -0.592 -5.573 0.306) 5.613 7.952 ( -0.361 -4.328 1.062) 4.471 8.046 ( 3.921 -0.210 -4.575) 6.029 8.115 ( 0.510 -0.343 -3.103) 3.164 8.299 ( 2.373 2.422 -2.402) 4.156 8.324 ( 1.972 0.993 1.225) 2.525 8.356 ( 0.447 2.484 1.697) 3.042 8.378 ( -3.423 -0.693 0.774) 3.577 8.633 ( 0.593 0.474 1.802) 1.955 8.685 ( -3.984 1.767 4.787) 6.474 8.797 ( 3.632 2.362 -5.514) 7.012 8.876 ( -1.445 2.576 -4.475) 5.361 9.158 ( 2.471 2.617 1.117) 3.769 9.200 ( -1.238 3.116 -2.536) 4.204 9.521 ( 1.444 -2.860 1.724) 3.639 9.596 ( -0.939 1.508 -1.655) 2.428 9.773 ( -0.139 -5.148 0.159) 5.152 9.902 ( 0.468 -0.262 1.711) 1.793 10.011 ( 0.185 0.976 1.922) 2.164 10.020 ( -0.921 2.026 1.212) 2.534 10.155 ( 0.366 0.609 -0.205) 0.740 10.214 ( 0.959 -5.430 1.758) 5.788 10.382 ( -2.980 3.833 2.836) 5.623 10.424 ( 2.260 -3.747 0.170) 4.379 10.441 ( -0.780 -0.249 -0.710) 1.083 10.581 ( -0.844 -0.825 -1.845) 2.191 10.705 ( 0.333 0.899 -0.118) 0.966 10.833 ( -1.300 -2.697 1.991) 3.596 10.935 ( -0.546 -0.740 -2.035) 2.233 11.000 ( 0.331 0.263 1.656) 1.709 11.070 ( 1.044 -0.472 -0.571) 1.280 11.118 ( 0.418 3.021 0.123) 3.052 11.281 ( 0.533 -0.648 3.377) 3.479 11.356 ( 0.971 -0.631 1.015) 1.540 11.416 ( -0.105 -1.111 1.335) 1.740 11.523 ( 0.902 -1.158 -5.618) 5.807 11.547 ( 1.340 -0.326 0.068) 1.381 11.712 ( -0.027 0.814 0.486) 0.948 11.893 ( -1.276 4.131 0.430) 4.344 11.956 ( 1.457 4.084 -2.497) 5.004 12.149 ( -1.363 3.055 0.758) 3.430 12.787 ( -1.069 -0.820 2.734) 3.048 12.850 ( -1.991 -3.168 -2.671) 4.597 13.312 ( 0.190 5.564 -0.120) 5.569 13.516 ( 0.086 1.169 -0.131) 1.179 14.684 ( 0.374 6.130 1.207) 6.259 15.042 ( -0.588 2.325 -2.088) 3.180 15.069 ( -0.771 2.141 -0.612) 2.357 15.256 ( 2.055 -3.586 -2.083) 4.628 15.672 ( -0.789 -3.885 1.198) 4.142 ======================= Grid point 167 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.658 24.931 -0.976) 24.959 1.538 ( -3.247 -2.054 -1.563) 4.148 1.820 ( -7.400 6.123 1.072) 9.664 1.951 ( -4.616 7.955 6.246) 11.118 2.003 ( -2.966 -3.686 -0.343) 4.744 2.063 ( 2.827 6.367 -6.952) 9.842 2.204 ( -3.782 -2.824 1.333) 4.904 2.347 ( -2.497 2.465 0.886) 3.618 2.437 ( 4.896 2.747 1.830) 5.905 2.522 ( -3.531 4.399 12.992) 14.164 2.661 ( 0.616 0.904 -6.107) 6.204 2.773 ( 3.203 4.380 -0.398) 5.441 2.841 ( 4.733 1.335 -2.081) 5.340 2.961 ( -1.498 0.958 -0.070) 1.780 3.095 ( -0.580 1.069 5.939) 6.062 3.120 ( -0.060 -0.026 -5.154) 5.154 3.261 ( -1.019 1.644 0.631) 2.035 3.336 ( -4.497 -8.542 -0.878) 9.693 3.397 ( 0.883 -4.562 -2.219) 5.150 3.532 ( 2.013 -1.195 -1.968) 3.058 3.672 ( -0.410 -2.367 -0.837) 2.544 3.770 ( 1.878 -0.953 1.921) 2.851 3.879 ( -1.294 1.314 3.095) 3.602 4.003 ( 1.865 -3.129 -0.956) 3.766 4.111 ( -2.602 -1.556 2.202) 3.747 4.181 ( -1.272 0.834 -4.849) 5.083 4.226 ( 5.250 1.154 -3.059) 6.185 4.375 ( -2.663 -1.067 -0.411) 2.898 4.389 ( -0.771 -0.762 3.175) 3.355 4.439 ( -2.425 -3.468 -2.470) 4.900 4.464 ( 1.958 10.239 -1.222) 10.496 4.571 ( -1.805 -1.820 3.420) 4.274 4.634 ( 3.706 -0.822 -4.336) 5.763 4.697 ( 0.416 -1.664 0.965) 1.968 4.770 ( -4.019 0.970 0.762) 4.204 4.843 ( -0.042 -7.794 0.837) 7.838 4.892 ( 1.980 1.871 -2.198) 3.500 4.953 ( -1.548 -3.736 1.619) 4.356 5.048 ( 0.508 1.536 -2.522) 2.996 5.109 ( 0.062 -0.577 -0.030) 0.581 5.223 ( -2.973 -3.457 -1.461) 4.789 5.297 ( 3.866 -4.697 6.223) 8.703 5.330 ( 3.024 1.387 -2.784) 4.338 5.358 ( -0.565 1.046 1.337) 1.789 5.428 ( -1.989 -0.685 0.138) 2.109 5.459 ( 1.492 2.708 -3.985) 5.044 5.531 ( 4.043 -0.396 -0.446) 4.086 5.619 ( 1.063 2.252 1.425) 2.870 5.646 ( 0.895 -2.210 0.786) 2.511 5.770 ( 1.959 -3.385 0.403) 3.932 5.938 ( -1.556 1.742 0.756) 2.455 6.030 ( 0.416 -2.921 0.055) 2.951 6.069 ( -4.578 4.194 3.521) 7.138 6.168 ( 2.031 4.798 -5.090) 7.283 6.251 ( 2.222 3.542 -1.580) 4.469 6.365 ( -4.100 -5.120 0.911) 6.622 6.499 ( -2.421 1.037 2.846) 3.877 6.573 ( 3.025 -0.793 -0.338) 3.146 6.657 ( -0.143 -1.129 -2.720) 2.949 6.794 ( 0.699 3.494 1.236) 3.771 6.943 ( -2.166 -0.631 0.884) 2.423 7.134 ( 1.463 -1.692 1.266) 2.570 7.138 ( 1.390 4.059 1.709) 4.618 7.263 ( -0.279 -9.026 -4.911) 10.279 7.424 ( 1.185 -2.324 -1.018) 2.800 7.604 ( -1.892 -1.779 1.853) 3.191 7.651 ( 2.280 4.042 3.885) 6.052 7.759 ( -2.098 -1.389 1.543) 2.951 7.822 ( 1.874 -3.757 -2.698) 4.991 7.861 ( -6.005 -3.986 4.423) 8.456 7.935 ( -0.266 -5.289 0.646) 5.335 7.966 ( -1.059 -0.256 1.426) 1.795 8.098 ( 5.515 -3.682 -2.160) 6.974 8.185 ( -1.909 -4.583 -1.056) 5.076 8.223 ( -1.769 0.671 -3.328) 3.828 8.303 ( 2.745 6.263 -0.029) 6.839 8.339 ( -1.642 -1.927 -0.897) 2.686 8.428 ( 4.548 -2.518 1.003) 5.295 8.612 ( -2.578 1.968 -0.687) 3.315 8.647 ( 0.157 2.260 3.348) 4.042 8.750 ( 4.377 4.278 -3.842) 7.226 8.848 ( -0.001 -2.505 0.151) 2.510 9.141 ( -1.223 0.894 -2.193) 2.665 9.148 ( 1.361 1.733 0.987) 2.415 9.550 ( -2.253 1.380 -2.436) 3.594 9.586 ( 2.212 -1.173 2.512) 3.547 9.830 ( -1.010 -1.685 0.192) 1.974 9.895 ( -0.228 1.164 -0.115) 1.192 9.984 ( 1.250 1.235 0.717) 1.898 10.042 ( -1.027 -2.132 0.181) 2.373 10.141 ( -0.362 0.851 0.374) 0.997 10.305 ( -0.801 1.237 0.638) 1.606 10.341 ( -0.312 -5.148 1.290) 5.316 10.425 ( -0.197 0.556 -0.631) 0.864 10.493 ( 2.657 -0.808 0.836) 2.900 10.595 ( 0.437 -2.055 0.329) 2.126 10.684 ( 1.058 2.103 -1.521) 2.803 10.860 ( -3.466 -0.354 4.928) 6.035 10.912 ( -3.123 0.043 -2.234) 3.840 10.998 ( 0.500 0.297 -0.705) 0.914 11.083 ( 0.373 0.378 -0.696) 0.876 11.110 ( 1.729 -1.832 0.998) 2.710 11.297 ( 0.573 1.325 -1.210) 1.884 11.354 ( -1.146 -0.426 -0.521) 1.329 11.462 ( 1.449 -1.134 3.486) 3.942 11.516 ( 1.114 0.232 -3.384) 3.571 11.560 ( 2.659 -0.862 -3.022) 4.117 11.705 ( -1.252 -0.213 0.224) 1.289 11.800 ( -1.120 5.322 0.068) 5.439 11.902 ( 0.015 2.647 -0.710) 2.741 12.104 ( -0.911 1.738 1.048) 2.225 12.797 ( -2.203 0.050 4.725) 5.213 12.892 ( 0.261 -3.580 -0.660) 3.650 13.228 ( 0.776 4.624 -1.134) 4.824 13.498 ( 0.008 1.085 0.072) 1.087 14.571 ( -3.058 6.513 0.136) 7.196 15.011 ( -1.432 0.000 -0.162) 1.441 15.047 ( 2.735 1.528 0.193) 3.139 15.309 ( 2.100 -2.516 -2.566) 4.163 15.731 ( -0.780 -3.341 1.314) 3.674 ======================= Grid point 168 (83/93) ======================= q-point: (-0.12 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 9.214 15.340 3.006) 18.145 1.532 ( -5.635 -3.095 -1.730) 6.658 1.693 ( -5.042 4.054 0.534) 6.492 1.809 ( -3.983 6.189 3.888) 8.323 1.906 ( 2.713 9.212 -5.944) 11.294 2.075 ( -1.945 -7.668 0.407) 7.921 2.208 ( -5.433 -4.172 1.181) 6.951 2.255 ( -1.212 8.237 -2.012) 8.565 2.433 ( 5.924 5.723 5.914) 10.140 2.547 ( -2.441 -0.892 10.680) 10.992 2.678 ( 2.725 -2.773 -2.517) 4.631 2.723 ( 3.171 5.645 -0.232) 6.479 2.882 ( 3.932 -1.502 -0.307) 4.221 2.968 ( -0.097 -2.565 0.126) 2.570 3.072 ( -2.567 -1.356 -2.929) 4.124 3.153 ( 5.515 -0.551 -0.343) 5.554 3.194 ( -0.185 4.551 -1.933) 4.948 3.371 ( -6.343 -3.478 0.509) 7.252 3.458 ( -1.005 -0.273 -0.615) 1.209 3.574 ( 3.232 -3.826 1.302) 5.175 3.652 ( -0.540 2.757 0.138) 2.813 3.786 ( 4.730 4.562 -0.922) 6.636 3.921 ( -3.807 -4.738 3.744) 7.139 4.024 ( 3.220 3.177 -8.171) 9.340 4.088 ( -0.428 -1.325 3.600) 3.861 4.122 ( -2.747 3.812 -0.476) 4.723 4.166 ( -0.123 12.642 -7.405) 14.652 4.262 ( 4.607 -0.404 -1.315) 4.808 4.337 ( 1.829 7.425 2.960) 8.200 4.424 ( -1.265 2.423 -0.734) 2.830 4.444 ( -1.347 0.028 1.962) 2.380 4.561 ( -0.078 2.560 0.908) 2.717 4.694 ( -4.195 2.296 -1.397) 4.982 4.720 ( -0.426 -4.930 -0.886) 5.027 4.755 ( 1.448 -6.298 -0.675) 6.497 4.853 ( -0.839 2.571 2.381) 3.603 4.922 ( -0.462 6.809 3.354) 7.604 4.975 ( -1.781 -6.699 0.152) 6.933 5.046 ( -0.443 -4.191 -3.662) 5.583 5.091 ( -1.908 1.663 -1.991) 3.221 5.271 ( -0.490 0.291 -5.899) 5.926 5.281 ( 0.315 -1.208 1.272) 1.782 5.368 ( -0.046 -5.085 -1.195) 5.224 5.413 ( -1.580 -1.368 -2.084) 2.951 5.462 ( 5.334 -1.434 2.340) 5.999 5.521 ( 3.825 -8.600 1.520) 9.534 5.581 ( 4.024 -0.385 -0.098) 4.044 5.621 ( 3.329 2.424 3.821) 5.618 5.682 ( 0.603 -0.074 1.510) 1.628 5.820 ( 0.439 -0.463 -0.396) 0.751 5.867 ( -1.673 4.398 0.396) 4.723 5.967 ( -2.008 6.744 3.479) 7.849 6.045 ( 2.673 3.786 -3.424) 5.762 6.124 ( -5.328 -4.115 4.331) 8.005 6.229 ( 1.429 -1.187 -3.361) 3.841 6.330 ( 0.061 0.064 -1.854) 1.857 6.571 ( -2.025 -4.528 2.984) 5.788 6.629 ( -0.462 -2.676 -1.530) 3.117 6.656 ( -1.844 -1.816 0.927) 2.750 6.803 ( 4.124 -1.464 -0.247) 4.383 6.889 ( -2.637 4.403 -0.979) 5.225 7.096 ( 4.242 4.264 1.836) 6.288 7.161 ( -0.758 -0.722 1.349) 1.708 7.361 ( -2.926 -4.773 -0.003) 5.599 7.492 ( -0.286 -4.664 0.171) 4.676 7.531 ( 0.221 3.849 -1.348) 4.084 7.689 ( 1.524 -1.316 1.097) 2.293 7.761 ( -1.494 0.711 2.022) 2.612 7.835 ( -5.216 -0.238 -0.165) 5.224 7.890 ( -2.740 -2.393 -2.218) 4.261 7.975 ( -1.527 -0.774 3.012) 3.465 8.012 ( 1.595 -2.609 0.740) 3.146 8.102 ( 0.420 3.377 -1.995) 3.945 8.151 ( 3.101 6.207 -5.817) 9.055 8.204 ( 1.631 1.165 3.067) 3.664 8.303 ( -5.423 -5.812 0.900) 8.000 8.395 ( 0.322 -7.455 -3.223) 8.128 8.473 ( 0.296 0.169 -3.023) 3.043 8.559 ( -1.557 -1.500 -2.006) 2.949 8.681 ( 3.862 1.425 1.174) 4.280 8.732 ( 5.838 1.095 4.277) 7.319 8.934 ( 0.358 -6.367 1.394) 6.527 9.120 ( -0.652 -0.751 -0.591) 1.157 9.138 ( 0.702 1.328 0.729) 1.670 9.466 ( -4.364 3.306 -3.749) 6.636 9.622 ( 2.860 0.293 0.321) 2.893 9.818 ( -1.583 0.309 1.664) 2.317 9.893 ( 1.425 0.501 -0.621) 1.634 9.995 ( 0.241 -1.051 -0.113) 1.084 10.046 ( -2.246 -0.030 0.077) 2.248 10.129 ( -0.722 0.538 0.839) 1.231 10.277 ( -0.997 0.118 0.331) 1.057 10.401 ( 0.404 1.890 -0.596) 2.023 10.446 ( -2.186 -6.324 0.201) 6.694 10.520 ( 4.294 2.779 2.965) 5.912 10.634 ( 0.707 2.167 -1.828) 2.922 10.662 ( 2.316 -2.950 1.671) 4.106 10.837 ( -5.248 1.104 1.643) 5.609 10.867 ( -2.952 0.792 0.875) 3.179 10.992 ( 1.143 0.785 -1.797) 2.270 11.081 ( 0.585 -0.382 -0.899) 1.138 11.181 ( -0.540 -3.332 2.833) 4.407 11.247 ( 1.244 1.009 -6.015) 6.224 11.358 ( -0.267 0.111 1.069) 1.107 11.459 ( -2.120 2.186 -1.136) 3.250 11.524 ( 3.153 -0.766 -1.832) 3.726 11.572 ( 2.940 0.994 -2.946) 4.279 11.680 ( -2.885 1.182 -0.037) 3.118 11.756 ( 0.623 -0.498 1.011) 1.288 11.861 ( -0.114 1.875 -0.215) 1.890 12.098 ( 0.062 -0.654 1.024) 1.217 12.808 ( -2.191 0.735 6.144) 6.564 12.948 ( 1.168 -1.877 2.743) 3.523 13.183 ( 2.102 0.777 -2.671) 3.487 13.487 ( -0.169 0.255 0.348) 0.463 14.453 ( -2.977 3.939 -0.739) 4.993 14.986 ( 2.238 3.438 0.443) 4.126 15.090 ( 0.459 -4.626 0.097) 4.650 15.333 ( 1.762 0.235 -1.731) 2.481 15.776 ( -1.697 -2.809 0.959) 3.419 ======================= Grid point 173 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.824 -0.000 -2.568) 2.697 1.572 ( -1.712 0.000 -2.742) 3.232 1.729 ( 12.301 -0.000 1.922) 12.451 1.901 ( -16.397 0.000 -0.036) 16.397 2.119 ( -2.187 0.000 6.162) 6.539 2.185 ( 0.155 -0.000 1.851) 1.857 2.429 ( -1.662 0.000 6.338) 6.552 2.477 ( -0.165 0.000 -0.756) 0.774 2.586 ( -3.668 0.000 -1.523) 3.972 2.640 ( -2.680 0.000 -0.601) 2.747 2.675 ( 6.755 -0.000 -2.657) 7.259 2.801 ( 8.126 -0.000 -4.924) 9.501 3.003 ( -6.144 0.000 9.974) 11.715 3.020 ( -1.331 0.000 2.630) 2.947 3.086 ( 7.359 -0.000 -0.297) 7.365 3.164 ( -2.414 0.000 -3.058) 3.896 3.223 ( -12.816 0.000 5.184) 13.824 3.239 ( 0.011 -0.000 -8.754) 8.754 3.318 ( 7.121 -0.000 -3.871) 8.105 3.367 ( 5.119 -0.000 -4.763) 6.992 3.636 ( 1.078 -0.000 4.112) 4.251 3.639 ( -0.556 0.000 -1.390) 1.497 3.786 ( 1.185 -0.000 -1.957) 2.287 3.956 ( 1.300 -0.000 0.300) 1.334 3.969 ( -0.693 0.000 -0.382) 0.792 4.020 ( -1.144 0.000 -3.586) 3.764 4.209 ( 3.787 -0.000 1.055) 3.931 4.240 ( -0.870 0.000 3.130) 3.248 4.333 ( -1.933 0.000 1.280) 2.319 4.374 ( -0.942 0.000 1.566) 1.827 4.390 ( -1.471 0.000 -2.312) 2.740 4.438 ( 3.408 -0.000 -0.856) 3.514 4.604 ( -5.508 0.000 -1.808) 5.797 4.699 ( 4.482 -0.000 -0.255) 4.489 4.752 ( -0.468 0.000 2.965) 3.002 4.910 ( 4.921 -0.000 1.340) 5.100 4.929 ( 1.881 -0.000 -0.071) 1.882 4.971 ( -0.988 0.000 -1.577) 1.861 5.003 ( -0.389 0.000 2.304) 2.336 5.043 ( -0.826 0.000 0.699) 1.082 5.196 ( 0.894 -0.000 5.961) 6.028 5.251 ( -4.483 0.000 -1.156) 4.629 5.271 ( 2.770 -0.000 3.128) 4.178 5.366 ( -0.576 0.000 -5.539) 5.569 5.441 ( 1.013 -0.000 -1.580) 1.877 5.551 ( 3.656 -0.000 2.471) 4.413 5.599 ( 1.684 -0.000 -0.808) 1.868 5.677 ( -1.259 0.000 -2.673) 2.955 5.757 ( -4.623 0.000 -3.857) 6.021 5.781 ( 0.992 -0.000 -2.937) 3.100 5.809 ( -0.293 0.000 0.886) 0.933 5.892 ( -1.240 0.000 1.297) 1.794 6.095 ( 0.905 -0.000 -1.856) 2.065 6.125 ( -2.319 0.000 -0.174) 2.326 6.189 ( 0.464 -0.000 1.842) 1.900 6.381 ( 0.179 -0.000 4.805) 4.808 6.602 ( 0.849 -0.000 2.564) 2.701 6.655 ( -0.066 0.000 -3.152) 3.153 6.802 ( -4.472 0.000 5.499) 7.087 6.899 ( -2.227 0.000 1.073) 2.472 6.924 ( 2.924 -0.000 -0.689) 3.004 6.987 ( 2.359 -0.000 -9.643) 9.928 7.023 ( 0.211 -0.000 -0.547) 0.587 7.254 ( -5.943 0.000 15.489) 16.590 7.344 ( 0.021 -0.000 -0.791) 0.791 7.372 ( 1.720 -0.000 -0.414) 1.770 7.648 ( -0.020 0.000 -3.215) 3.215 7.695 ( -1.481 0.000 -1.965) 2.461 7.723 ( 1.085 -0.000 -0.991) 1.470 7.734 ( 0.149 -0.000 -0.276) 0.314 7.783 ( -0.255 0.000 -0.949) 0.983 7.863 ( -2.344 0.000 -4.702) 5.254 7.971 ( 3.381 -0.000 0.022) 3.381 8.278 ( -2.540 0.000 3.093) 4.002 8.330 ( 2.326 -0.000 -1.272) 2.651 8.341 ( 0.842 -0.000 -0.124) 0.851 8.347 ( 1.598 -0.000 0.018) 1.598 8.396 ( -2.813 0.000 -1.800) 3.340 8.645 ( -0.320 0.000 1.790) 1.818 8.706 ( -0.688 0.000 6.394) 6.431 8.812 ( 0.734 -0.000 -5.357) 5.407 8.936 ( -1.351 0.000 -5.646) 5.806 9.191 ( 0.260 -0.000 -1.982) 1.999 9.296 ( 1.885 -0.000 1.501) 2.410 9.506 ( 1.743 -0.000 0.616) 1.849 9.619 ( 0.175 -0.000 0.614) 0.639 9.640 ( -0.584 0.000 -1.104) 1.249 9.887 ( -0.343 0.000 0.245) 0.422 10.024 ( 0.273 -0.000 4.733) 4.740 10.095 ( -1.072 0.000 0.708) 1.285 10.113 ( -0.244 0.000 4.494) 4.501 10.206 ( 0.496 -0.000 -3.028) 3.068 10.254 ( 1.637 -0.000 3.045) 3.457 10.419 ( -0.912 0.000 -0.091) 0.917 10.547 ( 0.455 -0.000 0.089) 0.464 10.583 ( -0.218 0.000 2.174) 2.184 10.686 ( -0.565 0.000 -1.321) 1.437 10.745 ( -0.438 0.000 -2.397) 2.437 10.931 ( 0.255 -0.000 0.789) 0.829 10.993 ( -1.476 0.000 3.290) 3.606 11.079 ( 2.052 -0.000 -4.314) 4.777 11.175 ( -0.514 0.000 -1.033) 1.154 11.263 ( -1.198 0.000 5.767) 5.890 11.340 ( 0.805 -0.000 5.669) 5.726 11.406 ( 2.993 -0.000 -6.068) 6.766 11.500 ( -0.310 0.000 -4.728) 4.738 11.532 ( 0.674 -0.000 2.018) 2.127 11.732 ( 0.079 -0.000 0.156) 0.174 11.956 ( -1.442 0.000 3.129) 3.445 12.047 ( 1.817 -0.000 -5.234) 5.540 12.213 ( -2.014 0.000 1.663) 2.612 12.741 ( 0.605 -0.000 -1.107) 1.262 12.821 ( -2.288 0.000 0.546) 2.352 13.421 ( -0.038 0.000 0.328) 0.330 13.534 ( -0.113 0.000 -0.200) 0.229 14.785 ( 1.004 -0.000 1.017) 1.429 15.101 ( 0.264 -0.000 -0.713) 0.760 15.141 ( -4.468 0.000 -2.381) 5.063 15.183 ( 3.270 -0.000 -2.078) 3.874 15.574 ( -0.097 0.000 0.736) 0.743 ======================= Grid point 174 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -12.139 5.101 -0.421) 13.174 1.561 ( 3.100 3.732 -3.428) 5.941 1.743 ( -17.261 -6.746 -1.433) 18.588 1.972 ( 10.480 -5.659 7.337) 13.988 2.102 ( -1.908 3.382 4.122) 5.663 2.167 ( -1.211 2.906 1.100) 3.334 2.313 ( -3.522 12.173 -3.560) 13.163 2.423 ( -4.247 2.194 3.935) 6.191 2.503 ( -7.876 1.110 3.702) 8.773 2.657 ( -2.763 -2.548 -2.999) 4.809 2.717 ( 3.186 0.945 1.324) 3.577 2.825 ( 2.190 -0.074 -6.721) 7.070 2.966 ( -4.274 2.844 7.381) 8.991 2.998 ( -1.582 2.635 1.388) 3.372 3.077 ( -5.572 -0.091 -6.153) 8.301 3.114 ( 2.150 0.782 -2.617) 3.476 3.214 ( -0.287 -2.334 1.963) 3.064 3.228 ( -3.554 -1.144 4.248) 5.656 3.381 ( 7.895 0.655 -3.451) 8.641 3.417 ( 0.175 -3.032 -3.963) 4.993 3.499 ( 4.051 1.608 0.128) 4.360 3.797 ( 0.466 -3.625 3.907) 5.350 3.826 ( -2.243 -6.120 -4.802) 8.096 3.955 ( -0.097 -0.797 -0.596) 1.000 3.994 ( -1.002 -3.933 0.020) 4.058 4.043 ( 0.116 -4.999 0.573) 5.033 4.213 ( -1.520 0.523 -3.249) 3.624 4.237 ( -0.242 -0.166 1.963) 1.985 4.345 ( -3.106 -0.870 0.073) 3.227 4.367 ( 2.064 -1.271 0.476) 2.470 4.424 ( -0.769 -4.507 0.168) 4.575 4.489 ( 3.109 -3.437 -1.176) 4.782 4.584 ( -3.880 -2.204 2.808) 5.273 4.720 ( 4.622 2.040 -1.866) 5.386 4.786 ( 0.490 -2.154 1.712) 2.795 4.865 ( 1.094 6.748 -1.001) 6.909 4.932 ( 0.297 -0.448 -1.406) 1.506 4.962 ( -2.563 -0.304 -3.857) 4.641 5.031 ( -0.072 -1.995 -0.833) 2.163 5.036 ( 1.610 0.032 1.875) 2.472 5.206 ( 1.924 2.586 3.191) 4.535 5.234 ( 0.085 3.510 -0.331) 3.527 5.297 ( -0.339 -3.269 4.333) 5.439 5.370 ( -1.731 -3.885 -4.011) 5.846 5.449 ( 3.316 -0.053 -0.572) 3.365 5.554 ( 0.495 2.231 -0.570) 2.355 5.590 ( 3.367 2.993 -2.138) 4.987 5.673 ( -1.304 -1.215 -1.136) 2.114 5.699 ( -0.148 3.881 1.072) 4.029 5.760 ( 3.232 3.001 1.763) 4.749 5.882 ( -0.846 -3.207 2.798) 4.339 5.900 ( -0.369 -6.096 -2.414) 6.567 6.096 ( -2.064 -1.773 -0.687) 2.807 6.115 ( -2.427 -2.633 0.898) 3.692 6.244 ( 1.194 -3.812 -0.840) 4.082 6.328 ( 1.460 6.693 1.658) 7.048 6.592 ( 2.238 5.429 -2.659) 6.446 6.682 ( -2.759 -1.152 0.261) 3.001 6.808 ( 0.974 2.626 2.823) 3.977 6.819 ( -4.296 0.307 6.569) 7.855 6.917 ( 1.505 2.644 -0.048) 3.042 7.023 ( 0.770 -3.765 -4.139) 5.648 7.047 ( 3.978 -4.061 -4.618) 7.324 7.246 ( 0.850 4.188 -0.018) 4.274 7.387 ( -1.593 -4.102 4.509) 6.301 7.425 ( 1.071 -3.527 6.986) 7.899 7.657 ( 0.204 -3.738 -4.335) 5.728 7.702 ( -2.294 -2.949 2.642) 4.576 7.736 ( -0.041 -1.607 -0.297) 1.634 7.766 ( 0.136 -3.400 -0.009) 3.402 7.788 ( 0.751 1.432 -0.388) 1.663 7.850 ( -0.906 -4.463 -0.807) 4.625 8.009 ( 3.880 -2.172 -3.500) 5.659 8.216 ( -0.356 8.139 0.232) 8.150 8.296 ( -3.246 0.518 -1.214) 3.504 8.321 ( -1.861 -0.243 -0.599) 1.970 8.368 ( 0.922 0.054 0.619) 1.112 8.416 ( 4.551 0.026 1.231) 4.715 8.664 ( 1.183 0.137 1.599) 1.994 8.722 ( -0.181 1.483 3.588) 3.886 8.800 ( 1.939 -0.580 -3.880) 4.376 8.879 ( -2.146 1.810 -1.747) 3.307 9.180 ( 0.222 0.899 -1.320) 1.613 9.281 ( 1.184 4.433 -0.421) 4.608 9.495 ( 1.220 -0.240 -0.991) 1.590 9.620 ( 0.087 1.728 0.038) 1.731 9.686 ( 0.095 -5.613 -0.010) 5.614 9.895 ( -0.381 -0.982 0.463) 1.150 10.032 ( -1.040 1.060 1.325) 1.990 10.073 ( 0.809 2.582 1.762) 3.229 10.154 ( 0.833 -1.310 1.325) 2.041 10.186 ( 1.174 -0.241 -1.741) 2.113 10.343 ( 2.337 -4.483 0.229) 5.061 10.419 ( 0.700 -0.511 1.421) 1.665 10.510 ( 0.238 6.342 1.069) 6.436 10.552 ( -0.694 -0.811 -1.878) 2.160 10.717 ( -0.576 -0.097 1.592) 1.696 10.761 ( -0.554 -5.466 -0.817) 5.555 10.920 ( -2.422 1.227 0.776) 2.824 11.000 ( -1.801 -0.878 1.552) 2.534 11.057 ( -0.832 -0.018 -3.414) 3.514 11.156 ( -0.067 1.412 0.079) 1.416 11.299 ( 0.715 -0.416 4.255) 4.335 11.367 ( 1.511 0.801 -1.955) 2.597 11.410 ( 1.654 -1.559 0.232) 2.285 11.475 ( 0.299 -0.790 -4.503) 4.582 11.553 ( 1.280 -0.462 0.104) 1.365 11.724 ( -0.595 0.690 0.097) 0.916 11.940 ( -2.584 2.444 3.135) 4.742 12.001 ( 0.420 2.748 -4.294) 5.115 12.188 ( -1.859 2.347 2.020) 3.612 12.766 ( 0.664 -3.030 -0.690) 3.178 12.813 ( -0.638 0.608 2.520) 2.670 13.389 ( -0.196 3.864 0.142) 3.872 13.529 ( -0.090 0.405 -0.081) 0.423 14.762 ( -1.115 3.798 -0.111) 3.960 15.051 ( -4.420 3.414 0.339) 5.595 15.119 ( 3.621 1.176 0.771) 3.884 15.207 ( 1.449 -2.670 -3.155) 4.380 15.610 ( -0.592 -3.782 0.771) 3.904 ======================= Grid point 175 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -8.640 12.490 3.326) 15.547 1.464 ( -7.526 0.592 -5.159) 9.144 1.708 ( -14.656 -4.753 4.195) 15.968 2.007 ( -6.671 11.220 -1.511) 13.141 2.049 ( -1.264 3.409 1.842) 4.075 2.102 ( -1.061 1.924 -1.420) 2.616 2.224 ( 5.450 -1.619 1.728) 5.943 2.334 ( -7.433 2.141 2.209) 8.044 2.492 ( -1.726 -0.437 6.169) 6.421 2.641 ( -3.059 0.484 -0.106) 3.099 2.678 ( 0.360 5.835 5.638) 8.122 2.807 ( 1.280 -1.635 -4.027) 4.531 2.925 ( 1.375 3.969 1.029) 4.325 2.962 ( -3.401 0.045 0.086) 3.403 2.999 ( -5.828 -1.171 -7.674) 9.707 3.123 ( 2.658 -0.718 -0.626) 2.823 3.258 ( -2.960 -2.101 3.697) 5.181 3.262 ( 2.304 -0.910 3.091) 3.961 3.351 ( 0.436 1.583 -1.381) 2.145 3.463 ( 1.877 -5.461 -3.700) 6.859 3.615 ( 2.517 -5.843 0.206) 6.365 3.782 ( -1.718 0.825 0.513) 1.973 3.897 ( -2.002 -2.726 -1.753) 3.809 3.962 ( 1.988 -0.348 1.490) 2.509 4.065 ( -0.696 -4.996 2.022) 5.435 4.099 ( -3.374 -3.508 -8.631) 9.909 4.228 ( -2.233 -6.299 -0.742) 6.724 4.260 ( 2.025 -1.430 0.689) 2.573 4.334 ( -4.542 -2.730 0.071) 5.299 4.408 ( 0.657 -0.507 0.873) 1.205 4.507 ( -1.561 -5.575 3.150) 6.591 4.562 ( 0.034 -4.414 -3.543) 5.660 4.603 ( -2.748 -0.068 -0.184) 2.755 4.669 ( 1.944 4.495 -2.711) 5.597 4.785 ( 2.147 3.616 0.064) 4.206 4.839 ( 1.405 -0.789 2.829) 3.256 4.901 ( -1.636 -0.419 -0.995) 1.961 4.947 ( 1.765 -0.589 -1.307) 2.274 5.055 ( 2.713 -2.453 -5.587) 6.678 5.064 ( 0.173 1.119 1.556) 1.924 5.166 ( -0.444 0.565 -0.357) 0.803 5.278 ( 2.012 -3.527 1.590) 4.361 5.341 ( -0.544 -0.334 2.641) 2.717 5.367 ( -2.920 -1.491 -2.707) 4.252 5.472 ( 2.913 4.102 2.374) 5.563 5.522 ( 4.458 3.247 -1.202) 5.644 5.556 ( 1.776 1.147 -0.936) 2.312 5.616 ( 0.604 0.078 -1.487) 1.607 5.721 ( 3.989 3.378 2.986) 6.020 5.768 ( 3.283 -1.561 1.847) 4.077 5.934 ( -3.651 -1.722 -0.375) 4.054 5.955 ( 0.443 -1.960 0.828) 2.173 6.094 ( -2.853 -0.681 0.561) 2.986 6.188 ( -1.290 -1.691 -2.794) 3.512 6.231 ( -0.610 -4.431 -0.795) 4.543 6.341 ( 3.323 1.221 4.020) 5.356 6.500 ( -0.431 4.143 -1.237) 4.345 6.606 ( -1.659 3.391 -2.857) 4.735 6.710 ( -1.859 6.371 4.236) 7.873 6.867 ( 1.229 3.914 1.541) 4.383 6.941 ( 1.701 -1.791 5.025) 5.599 7.085 ( -1.055 -7.262 -0.574) 7.360 7.126 ( 5.166 -4.314 -7.329) 9.950 7.202 ( 1.308 2.490 0.618) 2.880 7.410 ( 0.797 -0.729 -0.969) 1.451 7.549 ( 1.140 -3.764 -2.076) 4.447 7.699 ( -1.140 -1.135 -0.400) 1.657 7.748 ( -1.965 -2.311 3.935) 4.969 7.777 ( 1.098 -2.838 3.082) 4.331 7.802 ( 1.294 -3.510 3.485) 5.113 7.827 ( -1.199 -3.753 -0.729) 4.007 7.955 ( -1.166 -6.810 4.224) 8.098 8.068 ( 4.530 -2.680 -6.124) 8.075 8.093 ( -0.246 2.775 -0.350) 2.807 8.214 ( -5.221 2.339 -2.241) 6.145 8.309 ( 0.015 0.650 -1.093) 1.272 8.395 ( 2.306 1.205 -0.283) 2.617 8.453 ( 4.618 0.531 1.698) 4.949 8.652 ( -1.014 2.957 2.455) 3.975 8.708 ( 1.131 2.616 0.382) 2.875 8.795 ( 2.472 0.731 -2.946) 3.914 8.855 ( 0.871 0.426 2.409) 2.597 9.134 ( -1.212 2.024 -1.746) 2.935 9.217 ( 1.826 4.141 -0.037) 4.526 9.523 ( -0.776 -1.298 -2.686) 3.082 9.598 ( 0.953 0.345 1.674) 1.957 9.769 ( -0.686 -4.724 0.105) 4.775 9.899 ( -0.889 0.176 -0.890) 1.270 10.009 ( -1.072 0.237 -0.469) 1.194 10.049 ( 2.235 3.386 1.300) 4.260 10.152 ( -0.672 0.976 -1.188) 1.678 10.229 ( 0.876 -4.869 -1.987) 5.332 10.381 ( -0.992 2.969 3.286) 4.538 10.416 ( -0.511 0.469 -1.670) 1.808 10.507 ( 6.172 -2.633 0.861) 6.765 10.577 ( 0.628 -2.106 1.839) 2.865 10.712 ( 0.702 0.896 -0.478) 1.235 10.838 ( -2.145 -2.978 3.566) 5.117 10.874 ( -3.874 0.616 -0.141) 3.925 10.979 ( -2.277 0.248 -3.326) 4.038 11.052 ( -1.265 -2.109 -0.681) 2.551 11.137 ( 0.790 1.387 0.963) 1.864 11.315 ( 1.330 1.897 -3.708) 4.373 11.343 ( 0.065 -0.078 0.218) 0.240 11.461 ( -0.146 -2.959 -0.025) 2.963 11.482 ( 1.743 -1.154 -1.779) 2.745 11.565 ( 2.148 0.062 -1.782) 2.792 11.702 ( -1.607 1.012 -0.154) 1.906 11.871 ( -2.742 4.729 1.951) 5.804 11.937 ( -0.499 2.688 -1.616) 3.175 12.140 ( -1.684 2.948 2.090) 3.987 12.811 ( 0.375 -1.781 -0.528) 1.895 12.848 ( 1.237 -1.913 6.088) 6.500 13.309 ( -0.074 5.470 -0.394) 5.485 13.517 ( 0.156 1.065 -0.144) 1.086 14.637 ( -5.453 7.114 -0.813) 9.000 14.992 ( -2.564 0.363 1.377) 2.933 15.121 ( 3.100 3.195 0.889) 4.539 15.266 ( 3.424 -3.999 -2.722) 5.927 15.677 ( -0.173 -3.996 1.313) 4.210 ======================= Grid point 176 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.163 17.203 3.133) 17.487 1.394 ( -10.257 -5.143 -1.942) 11.637 1.674 ( -11.255 -2.007 5.792) 12.816 1.806 ( -7.801 4.860 -1.438) 9.303 1.988 ( 0.882 3.864 -5.648) 6.900 2.044 ( 1.182 1.614 0.667) 2.109 2.185 ( -1.704 4.241 3.485) 5.748 2.311 ( -2.150 1.969 -1.901) 3.480 2.542 ( 1.168 -1.625 4.401) 4.835 2.611 ( -3.532 2.265 9.244) 10.152 2.668 ( 1.909 0.777 3.793) 4.317 2.839 ( -1.165 6.459 -0.718) 6.603 2.851 ( -3.059 -4.587 0.918) 5.589 2.951 ( -3.429 -3.571 -1.982) 5.333 2.963 ( 3.501 -1.522 -6.885) 7.873 3.161 ( 1.253 -1.648 0.684) 2.181 3.250 ( 0.475 2.855 -1.288) 3.168 3.293 ( -0.083 -1.376 0.050) 1.380 3.389 ( -0.476 -4.125 1.679) 4.479 3.544 ( 1.524 -4.521 -1.034) 4.882 3.692 ( 0.794 -1.311 2.837) 3.224 3.809 ( -1.242 -4.701 2.780) 5.602 3.857 ( -0.995 2.185 -3.948) 4.620 4.003 ( 2.656 -1.326 -7.885) 8.425 4.055 ( -1.645 -1.997 -3.320) 4.209 4.132 ( -2.565 -0.787 4.149) 4.941 4.229 ( -0.092 0.098 -3.712) 3.714 4.315 ( -0.780 2.944 -1.608) 3.444 4.380 ( -0.715 -5.833 -0.733) 5.923 4.394 ( -2.830 -2.130 0.706) 3.612 4.483 ( -1.137 5.196 -0.036) 5.319 4.574 ( -1.988 -3.447 -1.212) 4.160 4.605 ( -1.557 -1.294 1.986) 2.836 4.664 ( 0.646 -1.236 -3.025) 3.331 4.777 ( 0.251 0.797 1.585) 1.792 4.864 ( -0.289 -2.234 3.406) 4.084 4.921 ( 3.315 2.989 0.166) 4.466 4.964 ( 0.530 -2.266 -0.527) 2.386 5.016 ( -2.373 2.688 0.767) 3.667 5.088 ( 2.242 -0.370 -4.095) 4.683 5.206 ( 1.393 -4.043 0.937) 4.378 5.277 ( -0.269 -0.279 -4.752) 4.768 5.364 ( 0.166 -1.817 0.588) 1.917 5.384 ( -0.199 5.663 -2.107) 6.045 5.448 ( 4.553 -2.792 1.844) 5.650 5.520 ( 5.317 -0.401 -0.116) 5.334 5.593 ( 2.197 -1.571 2.542) 3.709 5.653 ( 1.330 -2.653 -1.268) 3.228 5.736 ( 3.417 1.857 2.987) 4.904 5.830 ( 2.182 -1.886 0.575) 2.941 5.889 ( -4.850 3.104 1.714) 6.008 5.971 ( -3.601 -2.784 -0.151) 4.554 6.095 ( 2.249 0.524 2.291) 3.253 6.121 ( 0.398 4.622 -5.163) 6.941 6.279 ( -4.656 0.030 0.915) 4.745 6.310 ( 3.244 5.964 1.193) 6.893 6.510 ( -3.364 -5.387 5.661) 8.508 6.563 ( 0.999 -0.939 -6.772) 6.910 6.656 ( -0.279 2.039 4.119) 4.605 6.833 ( 2.106 1.980 -0.435) 2.924 6.953 ( 0.762 3.823 1.416) 4.148 7.149 ( 1.477 0.147 0.542) 1.580 7.178 ( 2.701 -1.033 -3.716) 4.709 7.246 ( -1.434 -6.549 4.949) 8.333 7.441 ( 1.842 -2.756 -0.882) 3.430 7.547 ( -0.530 -0.007 -5.251) 5.277 7.679 ( -1.338 0.538 -1.268) 1.920 7.778 ( -2.319 -1.085 1.823) 3.143 7.821 ( -2.421 2.154 0.738) 3.324 7.860 ( 2.740 -0.670 4.544) 5.348 7.896 ( -2.099 -6.203 0.012) 6.549 7.992 ( 1.268 0.489 -1.024) 1.701 8.120 ( -1.766 -5.430 -1.782) 5.982 8.143 ( -2.493 -1.423 3.712) 4.693 8.185 ( 5.140 -4.131 -5.274) 8.444 8.288 ( -0.176 0.297 -2.648) 2.671 8.333 ( 0.431 6.590 1.154) 6.704 8.474 ( 3.302 1.341 -3.384) 4.915 8.592 ( -2.675 4.999 3.661) 6.749 8.701 ( 0.655 -1.243 -1.561) 2.100 8.819 ( 6.336 -0.272 1.829) 6.600 8.901 ( 2.683 -1.692 4.496) 5.502 9.111 ( -0.386 0.287 -0.007) 0.482 9.171 ( 0.766 2.417 -1.023) 2.734 9.456 ( -3.668 2.948 -3.855) 6.083 9.635 ( 0.745 -0.689 0.049) 1.016 9.806 ( -1.483 -1.511 0.239) 2.130 9.891 ( -0.054 -1.099 0.552) 1.231 10.002 ( -1.247 -0.900 -1.688) 2.283 10.027 ( 1.977 2.516 0.731) 3.282 10.130 ( -1.566 -0.215 0.466) 1.647 10.292 ( -1.011 0.540 -0.202) 1.164 10.339 ( -0.072 -3.536 -0.162) 3.540 10.427 ( 1.448 0.507 0.063) 1.535 10.595 ( 6.022 -1.031 0.038) 6.110 10.653 ( 2.846 -2.942 4.395) 6.006 10.684 ( 0.144 3.674 0.050) 3.677 10.799 ( -6.528 0.838 -0.319) 6.589 10.864 ( -2.697 0.651 2.253) 3.575 10.962 ( -0.098 -2.721 -4.270) 5.064 11.064 ( -0.783 -0.651 -0.984) 1.415 11.156 ( -0.540 -1.655 3.320) 3.748 11.254 ( 2.659 2.291 -6.185) 7.112 11.354 ( -0.543 -0.495 0.938) 1.191 11.469 ( -2.349 1.538 0.665) 2.885 11.506 ( 2.110 -2.227 -4.484) 5.433 11.582 ( 3.131 -0.663 -2.442) 4.026 11.660 ( -3.570 0.897 0.398) 3.703 11.797 ( -0.793 3.500 1.747) 3.991 11.887 ( -0.664 1.937 -0.550) 2.120 12.105 ( -1.065 1.168 1.846) 2.430 12.838 ( 0.654 -0.288 1.855) 1.987 12.936 ( 0.052 -2.787 6.994) 7.529 13.229 ( 1.950 4.156 -2.189) 5.086 13.499 ( 0.039 1.098 0.001) 1.099 14.479 ( -5.596 4.830 -0.956) 7.454 14.998 ( -1.132 -1.729 0.848) 2.234 15.096 ( 1.415 2.629 0.687) 3.063 15.334 ( 4.054 -1.784 -2.038) 4.875 15.735 ( -0.079 -2.158 1.321) 2.531 ======================= Grid point 182 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -17.934 0.000 1.297) 17.981 1.439 ( -22.615 0.000 -3.830) 22.937 1.706 ( 8.641 -0.000 1.285) 8.736 2.029 ( -1.595 0.000 9.751) 9.881 2.145 ( -1.476 0.000 2.496) 2.899 2.171 ( -2.042 0.000 -0.365) 2.075 2.333 ( -21.157 0.000 2.946) 21.361 2.408 ( -6.631 0.000 -0.278) 6.636 2.440 ( -4.029 0.000 4.988) 6.412 2.566 ( -3.625 0.000 -1.592) 3.960 2.758 ( 6.130 -0.000 -3.439) 7.029 2.789 ( 3.744 -0.000 -11.990) 12.561 2.991 ( -5.598 0.000 -4.920) 7.453 3.006 ( -6.605 0.000 9.151) 11.286 3.041 ( -0.202 0.000 3.537) 3.542 3.156 ( -0.253 0.000 -3.758) 3.767 3.173 ( -0.447 0.000 5.662) 5.680 3.190 ( -0.928 0.000 2.575) 2.737 3.385 ( 4.066 -0.000 -5.181) 6.586 3.432 ( 5.143 -0.000 -1.286) 5.301 3.646 ( 0.919 -0.000 0.769) 1.198 3.653 ( -0.010 0.000 -1.752) 1.752 3.739 ( -3.240 0.000 -1.714) 3.666 3.936 ( -2.376 0.000 -2.055) 3.141 3.961 ( -0.019 0.000 1.638) 1.638 4.021 ( 0.696 -0.000 0.675) 0.969 4.187 ( -1.359 0.000 -5.058) 5.237 4.225 ( -2.125 0.000 1.219) 2.450 4.313 ( -3.827 0.000 -0.441) 3.852 4.370 ( -1.235 0.000 1.515) 1.955 4.392 ( 2.125 -0.000 0.451) 2.173 4.479 ( 3.004 -0.000 -0.849) 3.122 4.596 ( 1.434 -0.000 6.541) 6.697 4.764 ( 6.217 -0.000 -7.763) 9.945 4.765 ( -1.584 0.000 1.488) 2.173 4.850 ( -5.110 0.000 -4.614) 6.885 4.919 ( -0.425 0.000 -1.874) 1.921 4.970 ( 0.554 -0.000 0.709) 0.900 5.006 ( -0.055 0.000 -0.270) 0.275 5.072 ( 3.704 -0.000 2.104) 4.260 5.191 ( -4.714 0.000 -4.133) 6.269 5.272 ( -0.921 0.000 -3.996) 4.100 5.316 ( -0.381 0.000 0.823) 0.907 5.339 ( 6.821 -0.000 4.543) 8.196 5.483 ( 5.625 -0.000 -1.115) 5.734 5.579 ( 1.986 -0.000 -0.707) 2.108 5.607 ( 1.356 -0.000 -4.633) 4.828 5.637 ( -3.040 0.000 2.561) 3.975 5.757 ( 2.865 -0.000 1.609) 3.286 5.805 ( -1.271 0.000 0.457) 1.350 5.833 ( 5.190 -0.000 3.223) 6.109 5.874 ( -2.774 0.000 2.192) 3.535 6.056 ( -2.371 0.000 -1.958) 3.075 6.093 ( -2.096 0.000 3.196) 3.822 6.218 ( 0.930 -0.000 0.167) 0.944 6.410 ( -0.201 0.000 -0.939) 0.960 6.629 ( 1.756 -0.000 -3.436) 3.859 6.696 ( 5.591 -0.000 2.190) 6.005 6.811 ( -2.198 0.000 8.100) 8.393 6.869 ( -3.666 0.000 2.324) 4.341 6.913 ( 1.304 -0.000 -6.094) 6.232 6.992 ( 4.696 -0.000 -1.953) 5.086 7.030 ( 1.140 -0.000 0.279) 1.174 7.327 ( -0.793 0.000 5.546) 5.602 7.338 ( -0.173 0.000 0.140) 0.223 7.438 ( 3.094 -0.000 1.223) 3.327 7.594 ( 0.533 -0.000 -3.037) 3.083 7.679 ( -1.286 0.000 2.417) 2.738 7.728 ( 0.236 -0.000 0.467) 0.523 7.733 ( -0.032 0.000 -0.198) 0.201 7.768 ( -1.181 0.000 0.560) 1.307 7.869 ( 3.489 -0.000 3.223) 4.749 7.996 ( 2.392 -0.000 -3.757) 4.454 8.237 ( -7.128 0.000 -2.610) 7.591 8.283 ( -0.703 0.000 2.413) 2.513 8.356 ( 3.077 -0.000 -2.409) 3.908 8.367 ( 2.275 -0.000 1.433) 2.688 8.457 ( 3.572 -0.000 2.425) 4.317 8.690 ( 3.731 -0.000 0.099) 3.733 8.737 ( -2.238 0.000 2.491) 3.349 8.795 ( 2.236 -0.000 -3.897) 4.493 8.876 ( -2.647 0.000 4.050) 4.838 9.194 ( 1.440 -0.000 -0.020) 1.440 9.306 ( 0.726 -0.000 -3.274) 3.353 9.510 ( 0.030 -0.000 -3.034) 3.035 9.623 ( 0.191 -0.000 -0.388) 0.433 9.644 ( 0.989 -0.000 0.992) 1.401 9.886 ( -0.404 0.000 0.488) 0.634 10.037 ( -0.592 0.000 -0.186) 0.620 10.108 ( 0.885 -0.000 -0.483) 1.008 10.162 ( 1.712 -0.000 -2.478) 3.012 10.186 ( 0.646 -0.000 1.740) 1.857 10.335 ( 6.019 -0.000 -4.057) 7.259 10.432 ( 1.368 -0.000 1.496) 2.027 10.525 ( -1.490 0.000 0.054) 1.491 10.610 ( 1.574 -0.000 0.137) 1.580 10.661 ( -2.154 0.000 1.962) 2.914 10.722 ( -1.392 0.000 1.373) 1.955 10.931 ( -0.310 0.000 -0.443) 0.541 10.967 ( -5.128 0.000 3.744) 6.350 11.011 ( -3.057 0.000 -5.202) 6.034 11.167 ( -0.403 0.000 0.846) 0.937 11.331 ( 1.507 -0.000 2.994) 3.352 11.363 ( -1.550 0.000 -2.991) 3.369 11.406 ( 5.469 -0.000 -5.666) 7.875 11.461 ( -0.273 0.000 1.282) 1.311 11.558 ( 1.382 -0.000 -1.195) 1.827 11.722 ( -1.215 0.000 -0.077) 1.217 11.955 ( -3.858 0.000 3.946) 5.519 11.993 ( -0.822 0.000 -4.018) 4.101 12.208 ( -1.782 0.000 3.092) 3.569 12.740 ( 0.616 -0.000 -0.798) 1.008 12.846 ( 2.022 -0.000 4.040) 4.518 13.422 ( -0.008 0.000 -0.005) 0.010 13.528 ( -0.611 0.000 0.246) 0.659 14.780 ( -0.953 0.000 -2.119) 2.324 15.092 ( -0.549 0.000 -0.303) 0.627 15.110 ( -2.536 0.000 1.319) 2.858 15.197 ( 3.080 -0.000 2.105) 3.731 15.569 ( -0.978 0.000 0.006) 0.978 ======================= Grid point 183 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -17.290 -1.168 6.542) 18.523 1.258 ( -21.885 -4.388 -2.519) 22.462 1.714 ( 1.039 6.665 2.879) 7.334 2.032 ( -19.440 -3.354 8.118) 21.332 2.102 ( -2.338 1.930 1.031) 3.202 2.117 ( -7.073 8.352 -1.435) 11.038 2.149 ( -4.099 -1.244 -0.892) 4.376 2.374 ( -5.736 3.251 4.420) 7.938 2.444 ( -4.724 -5.705 3.647) 8.256 2.565 ( -4.597 -4.077 0.332) 6.153 2.743 ( 4.236 0.812 -8.338) 9.388 2.781 ( 2.671 1.365 -3.401) 4.535 2.894 ( -3.592 1.930 -2.972) 5.046 2.992 ( -2.316 2.254 5.356) 6.255 3.028 ( 1.397 4.148 1.282) 4.561 3.136 ( 0.927 -0.473 -0.112) 1.047 3.201 ( -3.813 -2.475 3.010) 5.452 3.267 ( 1.153 -3.680 3.375) 5.124 3.378 ( 2.645 -0.110 -5.075) 5.724 3.454 ( 2.014 3.691 -0.291) 4.215 3.556 ( 0.028 -1.527 0.768) 1.710 3.700 ( -1.747 -4.178 -4.484) 6.373 3.839 ( -2.326 -8.330 0.684) 8.676 3.892 ( -3.304 -2.003 -3.401) 5.148 3.989 ( -0.868 -2.329 1.143) 2.736 4.020 ( -1.525 -0.103 -3.338) 3.671 4.150 ( -1.147 -1.539 -1.078) 2.201 4.247 ( -2.417 -2.617 1.055) 3.715 4.277 ( -0.094 0.861 -1.085) 1.388 4.399 ( -1.131 -1.286 0.470) 1.776 4.410 ( -2.007 -3.562 0.693) 4.147 4.512 ( 0.788 -1.056 0.890) 1.590 4.635 ( 2.939 1.901 2.244) 4.158 4.698 ( -1.647 1.459 -9.943) 10.184 4.779 ( -2.034 -3.451 0.201) 4.011 4.862 ( 0.041 1.910 1.252) 2.284 4.880 ( 3.646 -0.978 -0.999) 3.905 4.967 ( 0.810 0.779 1.617) 1.969 5.018 ( 2.589 -1.320 -3.829) 4.807 5.098 ( 2.138 -0.575 -0.906) 2.392 5.171 ( -1.610 -1.022 -2.726) 3.327 5.224 ( -0.991 -0.682 -1.447) 1.882 5.296 ( -0.660 1.161 -2.659) 2.976 5.418 ( 4.535 0.727 4.078) 6.142 5.526 ( 3.311 -1.217 -1.223) 3.734 5.570 ( 1.106 1.565 -3.349) 3.859 5.606 ( 5.531 1.942 1.897) 6.162 5.650 ( -1.599 1.207 2.852) 3.486 5.769 ( 1.910 0.037 2.602) 3.228 5.811 ( -0.786 1.210 -2.890) 3.230 5.834 ( -2.301 -1.233 3.010) 3.984 5.968 ( 2.737 -4.359 4.727) 6.988 6.061 ( -0.884 -4.176 0.346) 4.283 6.116 ( -0.646 -1.740 3.905) 4.323 6.214 ( 1.846 2.118 -3.924) 4.826 6.363 ( -1.109 1.225 -0.489) 1.723 6.612 ( 1.260 3.365 -2.673) 4.479 6.646 ( 1.155 7.674 1.880) 7.985 6.806 ( -3.113 4.522 4.145) 6.879 6.937 ( 2.196 -5.969 2.996) 7.030 6.954 ( 3.476 -2.250 2.413) 4.793 6.986 ( 2.127 -0.076 -4.958) 5.396 7.061 ( 1.615 -1.203 1.103) 2.297 7.269 ( 1.700 4.159 -0.543) 4.525 7.385 ( 0.084 -1.828 -3.470) 3.923 7.484 ( 4.163 -3.842 -8.117) 9.898 7.663 ( 0.278 -3.138 4.630) 5.600 7.695 ( -1.791 -2.118 1.277) 3.053 7.729 ( -0.548 -1.217 -0.568) 1.451 7.774 ( -0.137 -3.060 4.633) 5.554 7.804 ( -1.189 -5.584 2.030) 6.059 7.927 ( 4.548 -0.140 7.103) 8.436 8.019 ( 3.576 -2.058 -2.672) 4.915 8.148 ( -5.317 1.288 -2.356) 5.957 8.237 ( -1.119 7.058 1.326) 7.269 8.339 ( 2.828 1.099 0.588) 3.091 8.415 ( 2.764 -0.537 -0.030) 2.816 8.506 ( 4.268 0.011 0.157) 4.271 8.703 ( -0.995 1.797 4.772) 5.195 8.744 ( 0.163 1.812 -2.289) 2.924 8.785 ( 2.783 -2.283 -3.054) 4.720 8.891 ( -0.451 0.673 6.815) 6.863 9.174 ( 0.570 4.121 -0.952) 4.268 9.273 ( 1.063 1.778 -3.433) 4.009 9.472 ( -1.170 -0.867 -4.044) 4.298 9.643 ( 0.607 2.228 2.732) 3.577 9.680 ( -0.289 -5.395 -0.781) 5.459 9.886 ( -0.497 -0.056 -0.376) 0.625 10.019 ( 0.502 1.536 -1.938) 2.524 10.100 ( 0.275 -0.117 -2.443) 2.461 10.159 ( 1.111 0.182 -2.914) 3.124 10.179 ( 0.977 1.650 -0.368) 1.953 10.378 ( 1.982 -3.033 -1.690) 3.998 10.453 ( -0.166 2.387 0.953) 2.576 10.535 ( 3.695 -1.067 0.556) 3.886 10.574 ( 2.440 0.382 2.964) 3.858 10.713 ( -1.196 -0.304 -0.060) 1.235 10.764 ( -0.544 -6.288 2.711) 6.869 10.879 ( -4.117 3.069 2.671) 5.788 10.939 ( -3.182 1.043 -5.193) 6.179 10.992 ( -1.888 -3.321 0.395) 3.841 11.162 ( -0.737 0.702 1.369) 1.705 11.322 ( -0.136 0.654 -4.999) 5.044 11.354 ( 1.320 0.459 1.178) 1.828 11.423 ( 3.464 -0.671 -3.644) 5.072 11.474 ( -0.621 -0.756 1.336) 1.656 11.562 ( 1.581 -0.716 -3.108) 3.560 11.700 ( -2.096 0.920 -0.226) 2.301 11.916 ( -4.041 2.676 2.597) 5.499 11.951 ( -1.702 1.544 -1.314) 2.647 12.189 ( -1.836 2.886 3.479) 4.879 12.763 ( 0.708 -2.599 -1.120) 2.918 12.902 ( 3.590 -0.286 5.311) 6.417 13.385 ( -0.250 4.163 -0.099) 4.172 13.525 ( -0.299 0.027 -0.019) 0.301 14.691 ( -4.665 6.580 -3.257) 8.698 14.994 ( -5.038 2.792 1.463) 5.943 15.164 ( -0.294 -3.125 -3.735) 4.878 15.262 ( 7.451 1.481 6.796) 10.193 15.614 ( 0.422 -5.403 1.543) 5.635 ======================= Grid point 184 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -11.113 4.608 4.984) 13.022 1.156 ( -17.494 -7.447 0.837) 19.032 1.618 ( -6.762 3.415 8.073) 11.071 1.862 ( -5.757 8.103 -2.121) 10.164 2.003 ( -2.169 2.397 -4.318) 5.394 2.071 ( -1.342 0.840 1.252) 2.018 2.181 ( -12.709 -10.811 3.553) 17.059 2.283 ( -2.593 5.151 2.796) 6.408 2.524 ( -4.820 -4.331 5.758) 8.668 2.587 ( -6.563 -4.118 0.400) 7.759 2.715 ( -3.067 4.349 4.050) 6.687 2.744 ( 3.013 -0.460 -3.929) 4.973 2.850 ( -0.896 -0.692 -4.573) 4.711 2.961 ( -0.698 4.240 4.278) 6.064 2.986 ( 3.127 2.899 -0.104) 4.265 3.155 ( 0.323 -0.927 0.250) 1.013 3.232 ( -1.575 -3.583 -1.930) 4.364 3.299 ( 0.645 2.368 0.642) 2.537 3.391 ( 3.535 -1.170 -1.200) 3.912 3.472 ( 2.496 -4.397 1.805) 5.369 3.631 ( -1.093 -6.113 0.222) 6.214 3.732 ( -2.869 -5.061 -1.359) 5.975 3.835 ( -2.622 0.838 -1.759) 3.267 3.921 ( -1.864 -3.504 -10.485) 11.211 4.017 ( 1.650 -1.915 1.573) 2.977 4.060 ( -2.042 -7.311 0.359) 7.599 4.171 ( -2.880 -3.720 -2.218) 5.201 4.259 ( -3.619 -0.373 0.489) 3.670 4.281 ( -0.768 -4.305 0.077) 4.373 4.384 ( -0.219 -0.144 -2.038) 2.055 4.476 ( -3.317 -2.702 -2.772) 5.098 4.522 ( -1.443 -2.607 0.799) 3.085 4.575 ( -0.876 3.839 0.909) 4.041 4.649 ( 0.996 -0.104 -4.915) 5.016 4.817 ( -0.510 1.926 1.134) 2.293 4.857 ( -0.148 -6.352 0.125) 6.355 4.935 ( 1.048 -0.389 -0.083) 1.121 4.969 ( 2.502 1.407 -0.141) 2.874 5.064 ( 4.693 4.385 2.057) 6.745 5.116 ( 2.339 0.808 -2.723) 3.679 5.162 ( 2.235 -5.314 0.153) 5.767 5.230 ( 0.773 -1.982 -3.416) 4.024 5.312 ( 1.610 -3.421 0.490) 3.813 5.426 ( -3.856 1.964 -0.604) 4.370 5.549 ( 6.532 2.072 0.989) 6.924 5.576 ( 2.128 -1.500 -2.042) 3.308 5.587 ( 0.247 3.659 -2.578) 4.483 5.620 ( 1.617 1.364 3.912) 4.447 5.779 ( -0.850 -0.559 0.545) 1.154 5.810 ( -0.093 0.934 1.175) 1.504 5.869 ( -0.870 -3.036 2.866) 4.264 6.012 ( 1.867 5.214 0.037) 5.538 6.114 ( 1.709 -2.083 1.467) 3.068 6.133 ( 1.402 2.032 -3.072) 3.941 6.225 ( -2.810 -4.476 3.417) 6.293 6.364 ( -3.400 -3.068 0.336) 4.592 6.525 ( 2.846 7.181 1.265) 7.828 6.572 ( 1.722 3.615 -1.203) 4.181 6.734 ( -2.366 4.846 5.452) 7.669 6.903 ( 1.266 4.743 0.147) 4.911 6.999 ( 0.593 -0.046 -5.182) 5.216 7.102 ( -0.156 -4.547 -1.694) 4.855 7.143 ( 6.891 -5.928 5.331) 10.538 7.242 ( 1.564 1.137 1.487) 2.439 7.389 ( 0.496 -3.071 -5.726) 6.516 7.513 ( 2.328 -1.064 -5.017) 5.632 7.657 ( -2.447 0.892 -1.160) 2.851 7.737 ( -1.077 -3.319 0.590) 3.539 7.749 ( -2.357 -4.024 -1.713) 4.968 7.831 ( -1.101 -2.253 1.510) 2.928 7.931 ( 3.004 -2.089 5.142) 6.310 8.019 ( -0.989 -1.438 0.369) 1.783 8.062 ( 3.251 1.524 2.598) 4.432 8.120 ( -1.377 2.241 3.016) 4.002 8.136 ( 3.178 -2.847 -1.722) 4.602 8.355 ( 4.741 2.930 1.235) 5.709 8.421 ( 1.153 2.655 0.241) 2.904 8.508 ( 2.503 2.079 -4.243) 5.346 8.677 ( -3.821 3.320 5.624) 7.566 8.682 ( -0.042 2.742 -1.518) 3.134 8.843 ( 4.840 -2.210 -3.069) 6.142 8.944 ( 2.357 -1.185 8.522) 8.921 9.119 ( 1.573 0.758 -1.904) 2.584 9.226 ( 0.702 4.255 -1.312) 4.508 9.430 ( -4.558 0.825 -4.733) 6.623 9.638 ( -0.278 0.956 2.351) 2.553 9.744 ( -1.636 -4.024 -0.141) 4.346 9.878 ( 0.606 -0.702 -1.007) 1.369 9.986 ( 0.441 1.078 -2.180) 2.471 10.094 ( -0.641 -0.433 -0.057) 0.776 10.115 ( 0.734 3.339 0.632) 3.476 10.227 ( 1.857 -5.068 -1.950) 5.739 10.362 ( -1.262 3.310 -0.994) 3.679 10.451 ( 2.834 -0.002 1.827) 3.372 10.593 ( 0.914 -2.483 -0.261) 2.659 10.667 ( 5.787 -2.985 1.919) 6.789 10.703 ( -1.378 -0.783 -0.903) 1.824 10.796 ( -5.847 4.379 4.120) 8.387 10.862 ( 0.912 -2.226 0.874) 2.559 10.876 ( -1.615 -1.684 -4.375) 4.958 11.036 ( 0.654 -2.530 0.427) 2.648 11.153 ( -2.109 0.208 2.364) 3.174 11.279 ( 2.098 1.920 -4.831) 5.606 11.353 ( -0.013 0.636 -0.182) 0.661 11.451 ( 1.289 -2.546 -2.091) 3.538 11.477 ( -0.625 0.389 -0.554) 0.921 11.574 ( 1.986 -1.184 -3.163) 3.917 11.653 ( -3.472 1.681 0.156) 3.861 11.854 ( -2.352 3.255 2.486) 4.723 11.900 ( -2.082 1.807 -0.865) 2.889 12.142 ( -1.876 3.103 3.253) 4.872 12.813 ( 1.412 -3.329 -1.724) 4.006 12.968 ( 0.553 -0.157 6.762) 6.787 13.307 ( 1.359 4.987 -1.554) 5.397 13.516 ( 0.040 0.894 -0.397) 0.980 14.500 ( -7.561 6.277 -1.621) 9.960 14.956 ( -4.269 -1.604 1.000) 4.668 15.160 ( 0.637 2.371 1.102) 2.691 15.333 ( 5.716 -0.850 -1.642) 6.007 15.725 ( 3.465 -2.797 3.205) 5.486 ======================= Grid point 191 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -18.539 0.000 10.725) 21.418 1.027 ( -22.920 0.000 5.539) 23.580 1.790 ( -35.281 0.000 19.631) 40.375 1.811 ( 2.189 -0.000 -2.250) 3.139 2.100 ( -3.987 0.000 0.105) 3.988 2.110 ( -10.800 0.000 -3.270) 11.285 2.139 ( -0.520 0.000 -3.228) 3.270 2.272 ( -7.455 0.000 1.284) 7.564 2.405 ( -5.915 0.000 1.042) 6.006 2.476 ( -4.093 0.000 -1.220) 4.271 2.755 ( 9.218 -0.000 -9.863) 13.500 2.804 ( 2.848 -0.000 -0.998) 3.018 2.869 ( -5.119 0.000 0.068) 5.120 3.034 ( -1.237 0.000 5.880) 6.009 3.102 ( -2.179 0.000 8.075) 8.364 3.133 ( 2.797 -0.000 -1.845) 3.351 3.168 ( -1.165 0.000 0.081) 1.167 3.254 ( 2.195 -0.000 1.291) 2.547 3.388 ( 2.698 -0.000 -4.255) 5.039 3.441 ( -2.313 0.000 1.464) 2.738 3.628 ( -2.982 0.000 -3.656) 4.718 3.650 ( 0.227 -0.000 -2.084) 2.096 3.657 ( -1.043 0.000 1.184) 1.578 3.844 ( -3.615 0.000 -2.934) 4.656 3.928 ( -2.284 0.000 -5.211) 5.690 3.995 ( -5.003 0.000 0.078) 5.003 4.129 ( -1.291 0.000 2.288) 2.627 4.232 ( 0.969 -0.000 0.476) 1.080 4.283 ( 2.975 -0.000 -4.637) 5.509 4.352 ( -3.019 0.000 1.205) 3.251 4.394 ( -0.027 0.000 -1.375) 1.375 4.517 ( -1.216 0.000 -0.308) 1.255 4.601 ( -2.811 0.000 -11.157) 11.506 4.668 ( -3.593 0.000 1.921) 4.075 4.760 ( 2.280 -0.000 -0.175) 2.287 4.879 ( 4.714 -0.000 -0.206) 4.719 4.897 ( -4.324 0.000 0.424) 4.344 4.983 ( 1.016 -0.000 -5.465) 5.559 4.987 ( 1.247 -0.000 2.053) 2.402 5.065 ( -2.266 0.000 -2.430) 3.323 5.171 ( 4.821 -0.000 0.414) 4.839 5.195 ( 4.527 -0.000 -4.864) 6.645 5.333 ( 0.878 -0.000 0.209) 0.903 5.483 ( 3.381 -0.000 3.823) 5.104 5.516 ( 1.774 -0.000 -3.263) 3.714 5.591 ( 1.492 -0.000 -0.670) 1.635 5.628 ( -4.912 0.000 6.346) 8.025 5.713 ( 7.829 -0.000 2.729) 8.291 5.772 ( -2.972 0.000 0.313) 2.988 5.816 ( 2.026 -0.000 1.021) 2.269 5.872 ( 0.496 -0.000 1.514) 1.593 5.950 ( 2.490 -0.000 4.016) 4.726 5.973 ( -3.265 0.000 -2.992) 4.429 6.146 ( 0.987 -0.000 4.886) 4.985 6.245 ( 1.015 -0.000 1.227) 1.593 6.370 ( -0.577 0.000 -2.679) 2.740 6.627 ( 2.793 -0.000 -3.135) 4.199 6.783 ( 2.648 -0.000 -0.892) 2.794 6.825 ( -2.990 0.000 0.373) 3.013 6.828 ( -1.532 0.000 -3.790) 4.088 6.951 ( 5.695 -0.000 1.808) 5.975 7.068 ( 2.060 -0.000 7.256) 7.543 7.104 ( 3.641 -0.000 4.169) 5.536 7.305 ( -1.607 0.000 -9.189) 9.329 7.342 ( 0.144 -0.000 0.791) 0.804 7.417 ( 4.443 -0.000 -8.375) 9.481 7.665 ( -2.057 0.000 0.436) 2.102 7.688 ( 0.624 -0.000 3.101) 3.163 7.733 ( -0.878 0.000 0.649) 1.092 7.750 ( -1.258 0.000 1.252) 1.775 7.778 ( 5.069 -0.000 7.286) 8.876 7.982 ( 3.424 -0.000 1.789) 3.863 8.066 ( 2.620 -0.000 6.798) 7.286 8.098 ( -1.972 0.000 -0.744) 2.107 8.302 ( -0.194 0.000 1.013) 1.032 8.378 ( 3.170 -0.000 -2.682) 4.152 8.439 ( 2.301 -0.000 3.230) 3.965 8.540 ( 4.056 -0.000 -1.361) 4.278 8.731 ( -5.136 0.000 5.047) 7.201 8.757 ( -0.188 0.000 -1.418) 1.430 8.758 ( 5.254 -0.000 -2.897) 6.000 8.956 ( 1.525 -0.000 10.418) 10.529 9.239 ( 1.967 -0.000 2.194) 2.946 9.247 ( 0.539 -0.000 -8.571) 8.588 9.412 ( -4.460 0.000 -6.166) 7.610 9.619 ( 0.391 -0.000 -0.904) 0.985 9.697 ( 1.224 -0.000 4.608) 4.768 9.884 ( -0.577 0.000 0.713) 0.917 10.017 ( 1.803 -0.000 -7.439) 7.654 10.078 ( -0.912 0.000 -0.229) 0.941 10.125 ( 0.898 -0.000 -4.377) 4.468 10.259 ( 2.624 -0.000 2.475) 3.607 10.322 ( 0.581 -0.000 -4.497) 4.535 10.488 ( 2.441 -0.000 1.356) 2.792 10.545 ( 0.717 -0.000 1.697) 1.843 10.647 ( 4.035 -0.000 -1.885) 4.454 10.703 ( 3.910 -0.000 3.943) 5.553 10.709 ( -4.984 0.000 3.141) 5.891 10.863 ( -5.619 0.000 -3.696) 6.726 10.932 ( 0.186 -0.000 1.086) 1.101 10.935 ( -2.507 0.000 2.441) 3.499 11.164 ( -1.520 0.000 0.977) 1.807 11.287 ( -1.340 0.000 -3.307) 3.568 11.381 ( 1.452 -0.000 0.998) 1.762 11.444 ( 5.274 -0.000 -4.132) 6.700 11.468 ( -0.639 0.000 0.734) 0.973 11.536 ( 0.575 -0.000 -4.836) 4.870 11.687 ( -2.489 0.000 -0.335) 2.512 11.907 ( -4.079 0.000 0.206) 4.085 11.945 ( -3.104 0.000 1.795) 3.586 12.227 ( -1.320 0.000 4.327) 4.524 12.742 ( 0.562 -0.000 -0.589) 0.814 12.951 ( 4.234 -0.000 -0.038) 4.234 13.420 ( 0.013 -0.000 -0.276) 0.277 13.516 ( -1.196 0.000 0.465) 1.283 14.687 ( -4.424 0.000 -6.714) 8.040 14.970 ( -9.156 0.000 -4.000) 9.992 15.077 ( -0.882 0.000 -0.019) 0.882 15.481 ( 14.413 -0.000 16.240) 21.713 15.543 ( -1.393 0.000 -0.636) 1.531 ======================= Grid point 192 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -16.819 -1.904 10.874) 20.118 0.939 ( -16.911 -5.658 14.229) 22.814 1.694 ( -12.635 1.400 12.749) 18.004 1.785 ( -14.539 -8.970 4.829) 17.752 1.902 ( -9.291 5.993 -6.565) 12.858 2.056 ( -3.633 1.010 -0.229) 3.778 2.085 ( -2.075 2.729 -1.866) 3.903 2.281 ( -6.670 -2.031 0.072) 6.973 2.386 ( -3.001 -5.293 -1.042) 6.173 2.479 ( -5.342 -4.347 1.060) 6.968 2.762 ( 3.886 1.323 -4.407) 6.023 2.810 ( -0.273 1.715 -0.923) 1.967 2.818 ( -1.350 1.630 2.607) 3.358 3.038 ( -2.155 2.725 6.257) 7.157 3.090 ( 4.497 5.389 0.268) 7.024 3.126 ( -2.489 -1.595 1.764) 3.443 3.188 ( 1.507 0.406 -1.165) 1.947 3.324 ( 2.104 -3.858 0.812) 4.469 3.362 ( 2.956 1.365 -5.971) 6.801 3.470 ( -1.957 -4.086 2.260) 5.063 3.540 ( -1.162 0.641 1.026) 1.677 3.631 ( -1.341 -3.011 -2.936) 4.414 3.774 ( -0.523 -6.857 -4.747) 8.356 3.802 ( -2.415 -0.516 -2.641) 3.616 3.922 ( -1.464 -5.673 -2.974) 6.570 3.969 ( -5.651 -3.852 1.210) 6.946 4.112 ( -1.968 1.548 -0.165) 2.510 4.225 ( -2.218 0.278 -0.429) 2.276 4.267 ( 0.774 1.796 -3.803) 4.277 4.357 ( -0.182 -1.752 -2.836) 3.338 4.386 ( -1.500 -3.449 -0.999) 3.891 4.484 ( -2.402 0.103 -4.734) 5.310 4.571 ( 0.793 -4.800 -4.869) 6.883 4.644 ( -3.775 1.505 3.109) 5.116 4.755 ( 0.056 0.569 -3.926) 3.968 4.811 ( -3.399 -0.349 -2.714) 4.363 4.970 ( 1.322 -4.556 3.254) 5.752 4.998 ( 0.451 0.968 3.966) 4.107 5.021 ( 1.596 -4.668 -4.478) 6.663 5.100 ( 3.687 -4.518 -3.087) 6.598 5.207 ( 5.133 -0.493 -1.048) 5.262 5.231 ( 3.890 3.289 2.987) 5.905 5.321 ( 3.413 2.574 0.885) 4.366 5.424 ( -1.916 3.919 -0.364) 4.378 5.544 ( 0.426 0.322 -0.164) 0.559 5.613 ( 1.296 0.732 1.820) 2.351 5.652 ( 2.257 -0.986 1.462) 2.864 5.696 ( -0.860 4.174 0.322) 4.274 5.783 ( -0.196 -0.478 1.578) 1.661 5.822 ( -0.296 0.557 0.332) 0.713 5.863 ( 1.843 1.519 1.572) 2.859 6.012 ( 0.108 -6.849 -0.929) 6.913 6.089 ( 1.495 -7.159 3.235) 7.997 6.157 ( -1.358 1.451 2.163) 2.938 6.224 ( 2.763 5.150 -2.326) 6.290 6.314 ( -2.611 1.294 0.035) 2.915 6.618 ( 2.831 2.731 -1.340) 4.156 6.702 ( 1.785 7.172 0.835) 7.437 6.788 ( -4.490 0.319 2.523) 5.160 6.886 ( 1.441 -5.535 -6.609) 8.740 6.985 ( 1.746 3.080 -1.544) 3.862 7.082 ( -0.501 2.359 2.970) 3.825 7.183 ( 5.533 -2.689 5.541) 8.279 7.272 ( 0.531 -0.621 -8.418) 8.458 7.309 ( 2.606 -0.467 2.368) 3.552 7.476 ( 2.452 -3.782 -2.119) 4.981 7.648 ( -3.120 -0.338 -1.118) 3.332 7.687 ( 0.231 -0.403 0.506) 0.688 7.722 ( -0.028 0.516 0.825) 0.974 7.764 ( -1.853 -2.427 0.746) 3.143 7.944 ( 6.258 -5.618 2.239) 8.703 8.003 ( 0.098 1.092 1.495) 1.854 8.110 ( 3.252 -1.388 2.687) 4.441 8.136 ( 3.095 0.651 3.506) 4.722 8.243 ( -0.402 6.852 0.906) 6.924 8.402 ( 3.181 -1.695 -0.535) 3.644 8.473 ( 2.068 1.349 3.643) 4.401 8.532 ( 1.791 2.203 -6.272) 6.885 8.690 ( -1.694 2.605 -0.804) 3.210 8.752 ( -2.435 1.211 7.152) 7.652 8.808 ( 3.769 -2.999 -5.045) 6.975 9.041 ( 4.791 1.480 12.085) 13.084 9.136 ( 0.209 3.500 -7.092) 7.912 9.275 ( 1.327 0.880 0.954) 1.856 9.350 ( -4.729 -1.135 -3.436) 5.955 9.654 ( -1.113 -2.723 -0.884) 3.072 9.714 ( 0.933 2.390 6.083) 6.602 9.876 ( 0.292 0.598 -0.391) 0.772 9.985 ( 1.705 -0.338 -5.500) 5.768 10.076 ( -0.769 0.375 1.561) 1.780 10.143 ( 2.304 -3.410 -3.529) 5.421 10.218 ( 1.891 4.271 1.135) 4.806 10.362 ( 0.634 -1.694 -2.043) 2.729 10.506 ( 2.861 1.342 1.821) 3.648 10.557 ( -3.340 -0.132 1.095) 3.518 10.647 ( -2.366 -0.213 -2.400) 3.377 10.697 ( 5.598 -2.353 -1.413) 6.235 10.787 ( -1.658 -2.113 2.907) 3.958 10.828 ( -2.346 -1.089 0.978) 2.765 10.891 ( 1.511 2.653 1.062) 3.233 11.004 ( 1.735 -4.021 2.850) 5.225 11.147 ( -2.759 0.578 0.608) 2.884 11.270 ( -0.487 -0.885 -2.301) 2.513 11.384 ( 1.647 2.085 -0.607) 2.726 11.434 ( 1.889 1.002 -2.792) 3.517 11.475 ( 1.116 -0.444 -0.265) 1.230 11.541 ( 1.953 -2.196 -3.987) 4.953 11.648 ( -3.378 1.371 -0.174) 3.649 11.865 ( -3.694 0.668 -0.109) 3.756 11.914 ( -2.813 2.116 2.014) 4.055 12.207 ( -1.931 3.962 4.301) 6.158 12.763 ( 0.949 -2.498 -1.285) 2.965 12.976 ( -0.428 -1.837 -2.675) 3.274 13.381 ( 0.495 3.999 -0.805) 4.109 13.516 ( -0.615 -0.398 -0.108) 0.740 14.514 ( -9.826 6.370 -3.968) 12.364 14.880 ( -7.395 -1.567 -0.610) 7.583 15.129 ( 0.126 -5.394 -1.514) 5.604 15.444 ( 2.657 7.397 1.660) 8.033 15.768 ( 12.100 -2.853 7.708) 14.627 ======================= Grid point 200 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -14.109 0.000 20.299) 24.721 0.855 ( -11.083 0.000 20.775) 23.546 1.571 ( -21.627 0.000 31.344) 38.081 1.698 ( -3.000 0.000 -12.712) 13.061 1.807 ( -12.059 0.000 -9.924) 15.617 2.016 ( -5.630 0.000 1.413) 5.804 2.091 ( -0.527 0.000 -2.880) 2.927 2.227 ( -0.722 0.000 2.331) 2.440 2.297 ( -4.519 0.000 -1.618) 4.800 2.410 ( -2.263 0.000 -0.448) 2.307 2.767 ( 1.702 -0.000 -4.518) 4.828 2.794 ( -5.482 0.000 2.246) 5.924 2.841 ( 1.606 -0.000 0.133) 1.611 3.086 ( -3.062 0.000 7.898) 8.471 3.125 ( -3.835 0.000 7.722) 8.622 3.183 ( 5.924 -0.000 -5.930) 8.382 3.229 ( 5.771 -0.000 -0.440) 5.788 3.271 ( 1.311 -0.000 -4.801) 4.976 3.379 ( 3.662 -0.000 -4.651) 5.920 3.414 ( -3.031 0.000 3.536) 4.658 3.539 ( -2.254 0.000 -2.048) 3.046 3.643 ( 2.209 -0.000 -2.017) 2.991 3.649 ( -1.691 0.000 1.548) 2.293 3.764 ( -0.993 0.000 -2.828) 2.998 3.842 ( 0.018 -0.000 -3.941) 3.941 3.871 ( -7.029 0.000 -0.595) 7.054 4.139 ( -1.838 0.000 1.833) 2.596 4.232 ( -0.631 0.000 -2.835) 2.905 4.246 ( -0.091 0.000 -7.194) 7.195 4.290 ( -7.801 0.000 -5.489) 9.539 4.291 ( -2.071 0.000 -1.670) 2.660 4.462 ( 2.494 -0.000 -2.028) 3.214 4.487 ( 1.360 -0.000 -5.317) 5.488 4.635 ( -2.060 0.000 2.553) 3.281 4.732 ( -4.999 0.000 -1.465) 5.209 4.822 ( -0.221 0.000 -0.526) 0.571 4.836 ( -4.713 0.000 -4.918) 6.812 5.024 ( 7.495 -0.000 -1.235) 7.596 5.030 ( 0.830 -0.000 2.850) 2.968 5.104 ( 3.121 -0.000 3.782) 4.904 5.235 ( 2.910 -0.000 -1.037) 3.090 5.307 ( 4.101 -0.000 1.869) 4.507 5.396 ( 4.803 -0.000 1.326) 4.983 5.544 ( 5.011 -0.000 0.591) 5.046 5.575 ( -0.388 0.000 5.852) 5.865 5.612 ( -3.272 0.000 4.588) 5.635 5.615 ( 1.316 -0.000 0.800) 1.540 5.710 ( -2.867 0.000 -1.501) 3.236 5.782 ( -0.271 0.000 -3.975) 3.984 5.840 ( -0.566 0.000 -0.552) 0.791 5.864 ( -2.988 0.000 -4.002) 4.995 5.946 ( 3.621 -0.000 2.455) 4.375 6.046 ( 1.209 -0.000 3.864) 4.049 6.156 ( -4.098 0.000 0.073) 4.098 6.282 ( 1.785 -0.000 1.436) 2.291 6.325 ( -1.100 0.000 -3.485) 3.654 6.638 ( 2.517 -0.000 -4.678) 5.312 6.753 ( -4.289 0.000 3.470) 5.517 6.758 ( -2.106 0.000 -1.107) 2.379 6.844 ( 3.337 -0.000 0.488) 3.373 7.009 ( 2.686 -0.000 -2.603) 3.740 7.094 ( -0.275 0.000 -8.890) 8.894 7.238 ( 1.816 -0.000 8.003) 8.207 7.253 ( 0.735 -0.000 4.343) 4.405 7.388 ( 3.099 -0.000 4.031) 5.085 7.422 ( 3.652 -0.000 -3.259) 4.895 7.599 ( -2.586 0.000 -1.069) 2.798 7.699 ( -2.483 0.000 0.137) 2.487 7.713 ( 1.142 -0.000 2.160) 2.443 7.794 ( 1.103 -0.000 5.592) 5.700 7.918 ( 1.973 -0.000 -2.618) 3.278 8.067 ( 6.218 -0.000 3.335) 7.056 8.137 ( 1.632 -0.000 -2.273) 2.798 8.184 ( 1.633 -0.000 3.637) 3.986 8.281 ( -1.109 0.000 -3.167) 3.355 8.401 ( 2.367 -0.000 -1.703) 2.916 8.503 ( -3.259 0.000 -4.179) 5.300 8.534 ( 1.123 -0.000 4.023) 4.177 8.708 ( 1.256 -0.000 -0.083) 1.259 8.781 ( -0.135 0.000 5.607) 5.609 8.784 ( 2.900 -0.000 -4.558) 5.403 9.082 ( -2.197 0.000 -6.449) 6.812 9.188 ( 4.718 -0.000 2.155) 5.187 9.308 ( 1.680 -0.000 3.152) 3.572 9.325 ( 0.840 -0.000 4.379) 4.459 9.616 ( 0.527 -0.000 -0.898) 1.041 9.808 ( 2.300 -0.000 7.987) 8.312 9.885 ( -0.500 0.000 1.081) 1.191 9.960 ( 2.639 -0.000 -4.678) 5.372 10.093 ( 0.899 -0.000 -0.325) 0.956 10.109 ( 2.587 -0.000 -2.438) 3.555 10.309 ( 0.117 -0.000 0.190) 0.223 10.328 ( 5.370 -0.000 -0.071) 5.370 10.532 ( 0.910 -0.000 -0.432) 1.007 10.563 ( -0.556 0.000 2.301) 2.368 10.593 ( -5.164 0.000 -2.285) 5.647 10.698 ( 4.108 -0.000 -3.573) 5.445 10.771 ( -4.953 0.000 3.944) 6.331 10.817 ( 2.128 -0.000 0.771) 2.263 10.957 ( 0.989 -0.000 2.765) 2.936 10.982 ( -0.223 0.000 2.975) 2.984 11.142 ( 1.927 -0.000 -0.129) 1.932 11.240 ( -1.101 0.000 -1.060) 1.528 11.409 ( 0.981 -0.000 0.204) 1.002 11.469 ( -0.918 0.000 -0.261) 0.955 11.486 ( 4.488 -0.000 -2.814) 5.297 11.506 ( 5.091 -0.000 -4.137) 6.560 11.627 ( -3.630 0.000 -0.612) 3.682 11.831 ( -3.693 0.000 -0.706) 3.759 11.923 ( -2.278 0.000 2.530) 3.404 12.264 ( -1.067 0.000 4.547) 4.671 12.745 ( 0.530 -0.000 -0.586) 0.790 12.859 ( -9.256 0.000 -10.882) 14.286 13.417 ( 0.007 -0.000 -0.339) 0.339 13.502 ( -1.101 0.000 0.688) 1.298 14.437 ( -12.859 0.000 -3.318) 13.280 14.799 ( -5.662 0.000 -0.399) 5.676 15.063 ( -0.556 0.000 0.004) 0.556 15.510 ( -1.062 0.000 -0.832) 1.350 15.950 ( 16.397 -0.000 5.615) 17.332 =================== 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 3/38400 10.0 374.661 133.774 146.226 -0.000 -13.155 -0.000 3/38400 20.0 64.398 24.683 32.903 -0.000 -1.991 -0.000 3/38400 30.0 26.318 10.264 15.955 -0.000 -0.820 -0.000 3/38400 40.0 14.468 5.947 9.757 -0.000 -0.430 -0.000 3/38400 50.0 9.340 4.053 6.734 -0.000 -0.266 -0.000 3/38400 60.0 6.676 3.033 5.030 -0.000 -0.183 -0.000 3/38400 70.0 5.111 2.407 3.970 -0.000 -0.136 -0.000 3/38400 80.0 4.105 1.990 3.261 -0.000 -0.107 -0.000 3/38400 90.0 3.415 1.695 2.759 -0.000 -0.087 -0.000 3/38400 100.0 2.918 1.475 2.389 -0.000 -0.073 -0.000 3/38400 110.0 2.544 1.307 2.106 -0.000 -0.063 -0.000 3/38400 120.0 2.255 1.173 1.883 -0.000 -0.055 -0.000 3/38400 130.0 2.025 1.065 1.703 -0.000 -0.049 -0.000 3/38400 140.0 1.838 0.975 1.555 -0.000 -0.044 -0.000 3/38400 150.0 1.683 0.900 1.431 -0.000 -0.041 -0.000 3/38400 160.0 1.553 0.836 1.326 -0.000 -0.037 -0.000 3/38400 170.0 1.442 0.781 1.235 -0.000 -0.035 -0.000 3/38400 180.0 1.346 0.733 1.157 -0.000 -0.032 -0.000 3/38400 190.0 1.263 0.690 1.088 -0.000 -0.030 -0.000 3/38400 200.0 1.190 0.653 1.027 -0.000 -0.028 -0.000 3/38400 210.0 1.125 0.619 0.973 -0.000 -0.027 -0.000 3/38400 220.0 1.067 0.589 0.924 -0.000 -0.025 -0.000 3/38400 230.0 1.014 0.561 0.881 -0.000 -0.024 -0.000 3/38400 240.0 0.967 0.537 0.841 -0.000 -0.023 -0.000 3/38400 250.0 0.924 0.514 0.804 -0.000 -0.022 -0.000 3/38400 260.0 0.885 0.493 0.771 -0.000 -0.021 -0.000 3/38400 270.0 0.850 0.474 0.741 -0.000 -0.020 -0.000 3/38400 280.0 0.817 0.456 0.713 -0.000 -0.020 -0.000 3/38400 290.0 0.786 0.440 0.687 -0.000 -0.019 -0.000 3/38400 300.0 0.758 0.425 0.663 -0.000 -0.018 -0.000 3/38400 310.0 0.732 0.411 0.640 -0.000 -0.018 -0.000 3/38400 320.0 0.708 0.397 0.619 -0.000 -0.017 -0.000 3/38400 330.0 0.685 0.385 0.600 -0.000 -0.016 -0.000 3/38400 340.0 0.663 0.373 0.581 -0.000 -0.016 -0.000 3/38400 350.0 0.643 0.362 0.564 -0.000 -0.015 -0.000 3/38400 360.0 0.625 0.352 0.548 -0.000 -0.015 -0.000 3/38400 370.0 0.607 0.342 0.532 -0.000 -0.015 -0.000 3/38400 380.0 0.590 0.333 0.518 -0.000 -0.014 -0.000 3/38400 390.0 0.574 0.324 0.504 -0.000 -0.014 -0.000 3/38400 400.0 0.559 0.316 0.491 -0.000 -0.013 -0.000 3/38400 410.0 0.545 0.308 0.479 -0.000 -0.013 -0.000 3/38400 420.0 0.532 0.301 0.467 -0.000 -0.013 -0.000 3/38400 430.0 0.519 0.294 0.456 -0.000 -0.013 -0.000 3/38400 440.0 0.507 0.287 0.445 -0.000 -0.012 -0.000 3/38400 450.0 0.495 0.280 0.435 -0.000 -0.012 -0.000 3/38400 460.0 0.484 0.274 0.426 -0.000 -0.012 -0.000 3/38400 470.0 0.473 0.268 0.416 -0.000 -0.011 -0.000 3/38400 480.0 0.463 0.263 0.407 -0.000 -0.011 -0.000 3/38400 490.0 0.454 0.257 0.399 -0.000 -0.011 -0.000 3/38400 500.0 0.444 0.252 0.391 -0.000 -0.011 -0.000 3/38400 510.0 0.435 0.247 0.383 -0.000 -0.011 -0.000 3/38400 520.0 0.427 0.242 0.375 -0.000 -0.010 -0.000 3/38400 530.0 0.418 0.237 0.368 -0.000 -0.010 -0.000 3/38400 540.0 0.411 0.233 0.361 -0.000 -0.010 -0.000 3/38400 550.0 0.403 0.229 0.355 -0.000 -0.010 -0.000 3/38400 560.0 0.396 0.225 0.348 -0.000 -0.010 -0.000 3/38400 570.0 0.388 0.221 0.342 -0.000 -0.009 -0.000 3/38400 580.0 0.382 0.217 0.336 -0.000 -0.009 -0.000 3/38400 590.0 0.375 0.213 0.330 -0.000 -0.009 -0.000 3/38400 600.0 0.369 0.210 0.325 -0.000 -0.009 -0.000 3/38400 610.0 0.363 0.206 0.319 -0.000 -0.009 -0.000 3/38400 620.0 0.357 0.203 0.314 -0.000 -0.009 -0.000 3/38400 630.0 0.351 0.199 0.309 -0.000 -0.009 -0.000 3/38400 640.0 0.345 0.196 0.304 -0.000 -0.008 -0.000 3/38400 650.0 0.340 0.193 0.299 -0.000 -0.008 -0.000 3/38400 660.0 0.335 0.190 0.295 -0.000 -0.008 -0.000 3/38400 670.0 0.330 0.187 0.290 -0.000 -0.008 -0.000 3/38400 680.0 0.325 0.185 0.286 -0.000 -0.008 -0.000 3/38400 690.0 0.320 0.182 0.282 -0.000 -0.008 -0.000 3/38400 700.0 0.315 0.179 0.278 -0.000 -0.008 -0.000 3/38400 710.0 0.311 0.177 0.274 -0.000 -0.008 -0.000 3/38400 720.0 0.306 0.174 0.270 -0.000 -0.007 -0.000 3/38400 730.0 0.302 0.172 0.266 -0.000 -0.007 -0.000 3/38400 740.0 0.298 0.170 0.263 -0.000 -0.007 -0.000 3/38400 750.0 0.294 0.167 0.259 -0.000 -0.007 -0.000 3/38400 760.0 0.290 0.165 0.256 -0.000 -0.007 -0.000 3/38400 770.0 0.286 0.163 0.252 -0.000 -0.007 -0.000 3/38400 780.0 0.283 0.161 0.249 -0.000 -0.007 -0.000 3/38400 790.0 0.279 0.159 0.246 -0.000 -0.007 -0.000 3/38400 800.0 0.275 0.157 0.243 -0.000 -0.007 -0.000 3/38400 810.0 0.272 0.155 0.240 -0.000 -0.007 -0.000 3/38400 820.0 0.269 0.153 0.237 -0.000 -0.007 -0.000 3/38400 830.0 0.265 0.151 0.234 -0.000 -0.006 -0.000 3/38400 840.0 0.262 0.149 0.231 -0.000 -0.006 -0.000 3/38400 850.0 0.259 0.148 0.228 -0.000 -0.006 -0.000 3/38400 860.0 0.256 0.146 0.226 -0.000 -0.006 -0.000 3/38400 870.0 0.253 0.144 0.223 -0.000 -0.006 -0.000 3/38400 880.0 0.250 0.143 0.221 -0.000 -0.006 -0.000 3/38400 890.0 0.247 0.141 0.218 -0.000 -0.006 -0.000 3/38400 900.0 0.245 0.139 0.216 -0.000 -0.006 -0.000 3/38400 910.0 0.242 0.138 0.213 -0.000 -0.006 -0.000 3/38400 920.0 0.239 0.136 0.211 -0.000 -0.006 -0.000 3/38400 930.0 0.237 0.135 0.209 -0.000 -0.006 -0.000 3/38400 940.0 0.234 0.133 0.206 -0.000 -0.006 -0.000 3/38400 950.0 0.232 0.132 0.204 -0.000 -0.006 -0.000 3/38400 960.0 0.229 0.131 0.202 -0.000 -0.006 -0.000 3/38400 970.0 0.227 0.129 0.200 -0.000 -0.006 -0.000 3/38400 980.0 0.224 0.128 0.198 -0.000 -0.005 -0.000 3/38400 990.0 0.222 0.127 0.196 -0.000 -0.005 -0.000 3/38400 1000.0 0.220 0.125 0.194 -0.000 -0.005 -0.000 3/38400 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:10:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|