----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:47:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.048471350000177 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -2.575549578930104 0.000000000000000 6.504931136313664 Atomic positions (fractional): *1 P 0.50240312745688 0.56567520538254 0.74669803899040 30.974 *2 P 0.96842404985464 0.31483194091496 0.27675111512057 30.974 3 P 0.96842404985464 0.18516805908504 0.77675111512057 30.974 4 P 0.03157595014537 0.68516805908504 0.72324888487943 30.974 *5 P 0.51309131776615 0.69634496894493 0.22764625380914 30.974 6 P 0.48690868223385 0.19634496894493 0.27235374619086 30.974 7 P 0.48690868223385 0.30365503105507 0.77235374619087 30.974 8 P 0.51309131776615 0.80365503105507 0.72764625380913 30.974 *9 P 0.00279153606863 0.94226413971602 0.74721228839458 30.974 10 P 0.03157595014537 0.81483194091496 0.22324888487943 30.974 11 P 0.99720846393136 0.44226413971602 0.75278771160542 30.974 12 P 0.99720846393136 0.05773586028398 0.25278771160542 30.974 13 P 0.49759687254312 0.06567520538254 0.75330196100960 30.974 14 P 0.49759687254312 0.43432479461746 0.25330196100960 30.974 15 P 0.50240312745688 0.93432479461746 0.24669803899040 30.974 16 P 0.00279153606863 0.55773586028398 0.24721228839458 30.974 *17 Ca 0.78410170839739 0.68298164025094 0.98862636778252 40.078 18 Ca 0.21589829160261 0.18298164025094 0.51137363221748 40.078 *19 Ca 0.74274341433237 0.93907395172851 0.98797553110476 40.078 20 Ca 0.78410170839739 0.81701835974906 0.48862636778252 40.078 *21 Ca 0.26241956758475 0.56034633019610 0.00390807799393 40.078 22 Ca 0.73758043241525 0.06034633019610 0.49609192200607 40.078 23 Ca 0.73758043241525 0.43965366980390 0.99609192200607 40.078 24 Ca 0.26241956758475 0.93965366980390 0.50390807799393 40.078 25 Ca 0.74274341433237 0.56092604827149 0.48797553110476 40.078 26 Ca 0.25725658566763 0.06092604827149 0.01202446889524 40.078 27 Ca 0.25725658566763 0.43907395172851 0.51202446889524 40.078 28 Ca 0.21589829160261 0.31701835974906 0.01137363221748 40.078 *29 Ge 0.79210516329458 0.12497518404141 0.96968639418060 72.640 30 Ge 0.20789483670542 0.87502481595859 0.03031360581940 72.640 31 Ge 0.79210516329458 0.37502481595859 0.46968639418060 72.640 *32 Ge 0.31888488645389 0.75755950757701 0.91516052120784 72.640 33 Ge 0.68111511354611 0.25755950757701 0.58483947879216 72.640 34 Ge 0.68111511354611 0.24244049242299 0.08483947879216 72.640 35 Ge 0.31888488645389 0.74244049242299 0.41516052120784 72.640 36 Ge 0.20789483670542 0.62497518404141 0.53031360581940 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.048471350000177 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -2.575549578930104 0.000000000000000 6.504931136313664 Atomic positions (fractional): *1 P 0.50240312745688 0.56567520538254 0.74669803899040 30.974 > 1 *2 P 0.96842404985464 0.31483194091496 0.27675111512057 30.974 > 2 3 P 0.96842404985464 0.18516805908504 0.77675111512057 30.974 > 3 4 P 0.03157595014537 0.68516805908504 0.72324888487943 30.974 > 4 *5 P 0.51309131776615 0.69634496894493 0.22764625380914 30.974 > 5 6 P 0.48690868223385 0.19634496894493 0.27235374619086 30.974 > 6 7 P 0.48690868223385 0.30365503105507 0.77235374619087 30.974 > 7 8 P 0.51309131776615 0.80365503105507 0.72764625380913 30.974 > 8 *9 P 0.00279153606863 0.94226413971602 0.74721228839458 30.974 > 9 10 P 0.03157595014537 0.81483194091496 0.22324888487943 30.974 > 10 11 P 0.99720846393136 0.44226413971602 0.75278771160542 30.974 > 11 12 P 0.99720846393136 0.05773586028398 0.25278771160542 30.974 > 12 13 P 0.49759687254312 0.06567520538254 0.75330196100960 30.974 > 13 14 P 0.49759687254312 0.43432479461746 0.25330196100960 30.974 > 14 15 P 0.50240312745688 0.93432479461746 0.24669803899040 30.974 > 15 16 P 0.00279153606863 0.55773586028398 0.24721228839458 30.974 > 16 *17 Ca 0.78410170839739 0.68298164025094 0.98862636778252 40.078 > 17 18 Ca 0.21589829160261 0.18298164025094 0.51137363221748 40.078 > 18 *19 Ca 0.74274341433237 0.93907395172851 0.98797553110476 40.078 > 19 20 Ca 0.78410170839739 0.81701835974906 0.48862636778252 40.078 > 20 *21 Ca 0.26241956758475 0.56034633019610 0.00390807799393 40.078 > 21 22 Ca 0.73758043241525 0.06034633019610 0.49609192200607 40.078 > 22 23 Ca 0.73758043241525 0.43965366980390 0.99609192200607 40.078 > 23 24 Ca 0.26241956758475 0.93965366980390 0.50390807799393 40.078 > 24 25 Ca 0.74274341433237 0.56092604827149 0.48797553110476 40.078 > 25 26 Ca 0.25725658566763 0.06092604827149 0.01202446889524 40.078 > 26 27 Ca 0.25725658566763 0.43907395172851 0.51202446889524 40.078 > 27 28 Ca 0.21589829160261 0.31701835974906 0.01137363221748 40.078 > 28 *29 Ge 0.79210516329458 0.12497518404141 0.96968639418060 72.640 > 29 30 Ge 0.20789483670542 0.87502481595859 0.03031360581940 72.640 > 30 31 Ge 0.79210516329458 0.37502481595859 0.46968639418060 72.640 > 31 *32 Ge 0.31888488645389 0.75755950757701 0.91516052120784 72.640 > 32 33 Ge 0.68111511354611 0.25755950757701 0.58483947879216 72.640 > 33 34 Ge 0.68111511354611 0.24244049242299 0.08483947879216 72.640 > 34 35 Ge 0.31888488645389 0.74244049242299 0.41516052120784 72.640 > 35 36 Ge 0.20789483670542 0.62497518404141 0.53031360581940 72.640 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.096942700000355 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -5.151099157860208 0.000000000000000 13.009862272627329 Atomic positions (fractional): *1 P 0.25120156372844 0.56567520538254 0.37334901949520 30.974 > 1 2 P 0.75120156372844 0.56567520538254 0.37334901949520 30.974 > 1 3 P 0.25120156372844 0.56567520538254 0.87334901949520 30.974 > 1 4 P 0.75120156372844 0.56567520538254 0.87334901949520 30.974 > 1 *5 P 0.48421202492732 0.31483194091496 0.13837555756029 30.974 > 2 6 P 0.98421202492732 0.31483194091496 0.13837555756029 30.974 > 2 7 P 0.48421202492732 0.31483194091496 0.63837555756029 30.974 > 2 8 P 0.98421202492732 0.31483194091496 0.63837555756029 30.974 > 2 9 P 0.48421202492732 0.18516805908504 0.38837555756029 30.974 > 3 10 P 0.98421202492732 0.18516805908504 0.38837555756029 30.974 > 3 11 P 0.48421202492732 0.18516805908504 0.88837555756029 30.974 > 3 12 P 0.98421202492732 0.18516805908504 0.88837555756029 30.974 > 3 13 P 0.01578797507268 0.68516805908504 0.36162444243971 30.974 > 4 14 P 0.51578797507268 0.68516805908504 0.36162444243971 30.974 > 4 15 P 0.01578797507268 0.68516805908504 0.86162444243971 30.974 > 4 16 P 0.51578797507268 0.68516805908504 0.86162444243971 30.974 > 4 *17 P 0.25654565888308 0.69634496894493 0.11382312690457 30.974 > 5 18 P 0.75654565888308 0.69634496894493 0.11382312690457 30.974 > 5 19 P 0.25654565888308 0.69634496894493 0.61382312690457 30.974 > 5 20 P 0.75654565888308 0.69634496894493 0.61382312690457 30.974 > 5 21 P 0.24345434111692 0.19634496894493 0.13617687309543 30.974 > 6 22 P 0.74345434111692 0.19634496894493 0.13617687309543 30.974 > 6 23 P 0.24345434111692 0.19634496894493 0.63617687309543 30.974 > 6 24 P 0.74345434111692 0.19634496894493 0.63617687309543 30.974 > 6 25 P 0.24345434111692 0.30365503105507 0.38617687309543 30.974 > 7 26 P 0.74345434111692 0.30365503105507 0.38617687309543 30.974 > 7 27 P 0.24345434111692 0.30365503105507 0.88617687309543 30.974 > 7 28 P 0.74345434111692 0.30365503105507 0.88617687309543 30.974 > 7 29 P 0.25654565888308 0.80365503105507 0.36382312690457 30.974 > 8 30 P 0.75654565888308 0.80365503105507 0.36382312690457 30.974 > 8 31 P 0.25654565888308 0.80365503105507 0.86382312690457 30.974 > 8 32 P 0.75654565888308 0.80365503105507 0.86382312690457 30.974 > 8 *33 P 0.00139576803432 0.94226413971602 0.37360614419729 30.974 > 9 34 P 0.50139576803432 0.94226413971602 0.37360614419729 30.974 > 9 35 P 0.00139576803432 0.94226413971602 0.87360614419729 30.974 > 9 36 P 0.50139576803432 0.94226413971602 0.87360614419729 30.974 > 9 37 P 0.01578797507268 0.81483194091496 0.11162444243971 30.974 > 10 38 P 0.51578797507268 0.81483194091496 0.11162444243971 30.974 > 10 39 P 0.01578797507268 0.81483194091496 0.61162444243971 30.974 > 10 40 P 0.51578797507268 0.81483194091496 0.61162444243971 30.974 > 10 41 P 0.49860423196568 0.44226413971602 0.37639385580271 30.974 > 11 42 P 0.99860423196568 0.44226413971602 0.37639385580271 30.974 > 11 43 P 0.49860423196568 0.44226413971602 0.87639385580271 30.974 > 11 44 P 0.99860423196568 0.44226413971602 0.87639385580271 30.974 > 11 45 P 0.49860423196568 0.05773586028398 0.12639385580271 30.974 > 12 46 P 0.99860423196568 0.05773586028398 0.12639385580271 30.974 > 12 47 P 0.49860423196568 0.05773586028398 0.62639385580271 30.974 > 12 48 P 0.99860423196568 0.05773586028398 0.62639385580271 30.974 > 12 49 P 0.24879843627156 0.06567520538254 0.37665098050480 30.974 > 13 50 P 0.74879843627156 0.06567520538254 0.37665098050480 30.974 > 13 51 P 0.24879843627156 0.06567520538254 0.87665098050480 30.974 > 13 52 P 0.74879843627156 0.06567520538254 0.87665098050480 30.974 > 13 53 P 0.24879843627156 0.43432479461746 0.12665098050480 30.974 > 14 54 P 0.74879843627156 0.43432479461746 0.12665098050480 30.974 > 14 55 P 0.24879843627156 0.43432479461746 0.62665098050480 30.974 > 14 56 P 0.74879843627156 0.43432479461746 0.62665098050480 30.974 > 14 57 P 0.25120156372844 0.93432479461746 0.12334901949520 30.974 > 15 58 P 0.75120156372844 0.93432479461746 0.12334901949520 30.974 > 15 59 P 0.25120156372844 0.93432479461746 0.62334901949520 30.974 > 15 60 P 0.75120156372844 0.93432479461746 0.62334901949520 30.974 > 15 61 P 0.00139576803432 0.55773586028398 0.12360614419729 30.974 > 16 62 P 0.50139576803432 0.55773586028398 0.12360614419729 30.974 > 16 63 P 0.00139576803432 0.55773586028398 0.62360614419729 30.974 > 16 64 P 0.50139576803432 0.55773586028398 0.62360614419729 30.974 > 16 *65 Ca 0.39205085419869 0.68298164025094 0.49431318389126 40.078 > 17 66 Ca 0.89205085419869 0.68298164025094 0.49431318389126 40.078 > 17 67 Ca 0.39205085419869 0.68298164025094 0.99431318389126 40.078 > 17 68 Ca 0.89205085419869 0.68298164025094 0.99431318389126 40.078 > 17 69 Ca 0.10794914580131 0.18298164025094 0.25568681610874 40.078 > 18 70 Ca 0.60794914580131 0.18298164025094 0.25568681610874 40.078 > 18 71 Ca 0.10794914580131 0.18298164025094 0.75568681610874 40.078 > 18 72 Ca 0.60794914580131 0.18298164025094 0.75568681610874 40.078 > 18 *73 Ca 0.37137170716619 0.93907395172851 0.49398776555238 40.078 > 19 74 Ca 0.87137170716619 0.93907395172851 0.49398776555238 40.078 > 19 75 Ca 0.37137170716619 0.93907395172851 0.99398776555238 40.078 > 19 76 Ca 0.87137170716619 0.93907395172851 0.99398776555238 40.078 > 19 77 Ca 0.39205085419869 0.81701835974906 0.24431318389126 40.078 > 20 78 Ca 0.89205085419869 0.81701835974906 0.24431318389126 40.078 > 20 79 Ca 0.39205085419869 0.81701835974906 0.74431318389126 40.078 > 20 80 Ca 0.89205085419869 0.81701835974906 0.74431318389126 40.078 > 20 *81 Ca 0.13120978379238 0.56034633019610 0.00195403899697 40.078 > 21 82 Ca 0.63120978379238 0.56034633019610 0.00195403899697 40.078 > 21 83 Ca 0.13120978379238 0.56034633019610 0.50195403899697 40.078 > 21 84 Ca 0.63120978379238 0.56034633019610 0.50195403899697 40.078 > 21 85 Ca 0.36879021620762 0.06034633019610 0.24804596100303 40.078 > 22 86 Ca 0.86879021620762 0.06034633019610 0.24804596100303 40.078 > 22 87 Ca 0.36879021620762 0.06034633019610 0.74804596100303 40.078 > 22 88 Ca 0.86879021620762 0.06034633019610 0.74804596100303 40.078 > 22 89 Ca 0.36879021620762 0.43965366980390 0.49804596100303 40.078 > 23 90 Ca 0.86879021620762 0.43965366980390 0.49804596100303 40.078 > 23 91 Ca 0.36879021620762 0.43965366980390 0.99804596100303 40.078 > 23 92 Ca 0.86879021620762 0.43965366980390 0.99804596100303 40.078 > 23 93 Ca 0.13120978379238 0.93965366980390 0.25195403899697 40.078 > 24 94 Ca 0.63120978379238 0.93965366980390 0.25195403899697 40.078 > 24 95 Ca 0.13120978379238 0.93965366980390 0.75195403899697 40.078 > 24 96 Ca 0.63120978379238 0.93965366980390 0.75195403899697 40.078 > 24 97 Ca 0.37137170716619 0.56092604827149 0.24398776555238 40.078 > 25 98 Ca 0.87137170716619 0.56092604827149 0.24398776555238 40.078 > 25 99 Ca 0.37137170716619 0.56092604827149 0.74398776555238 40.078 > 25 100 Ca 0.87137170716619 0.56092604827149 0.74398776555238 40.078 > 25 101 Ca 0.12862829283381 0.06092604827149 0.00601223444762 40.078 > 26 102 Ca 0.62862829283381 0.06092604827149 0.00601223444762 40.078 > 26 103 Ca 0.12862829283381 0.06092604827149 0.50601223444762 40.078 > 26 104 Ca 0.62862829283381 0.06092604827149 0.50601223444762 40.078 > 26 105 Ca 0.12862829283381 0.43907395172851 0.25601223444762 40.078 > 27 106 Ca 0.62862829283381 0.43907395172851 0.25601223444762 40.078 > 27 107 Ca 0.12862829283381 0.43907395172851 0.75601223444762 40.078 > 27 108 Ca 0.62862829283381 0.43907395172851 0.75601223444762 40.078 > 27 109 Ca 0.10794914580131 0.31701835974906 0.00568681610874 40.078 > 28 110 Ca 0.60794914580131 0.31701835974906 0.00568681610874 40.078 > 28 111 Ca 0.10794914580131 0.31701835974906 0.50568681610874 40.078 > 28 112 Ca 0.60794914580131 0.31701835974906 0.50568681610874 40.078 > 28 *113 Ge 0.39605258164729 0.12497518404141 0.48484319709030 72.640 > 29 114 Ge 0.89605258164729 0.12497518404141 0.48484319709030 72.640 > 29 115 Ge 0.39605258164729 0.12497518404141 0.98484319709030 72.640 > 29 116 Ge 0.89605258164729 0.12497518404141 0.98484319709030 72.640 > 29 117 Ge 0.10394741835271 0.87502481595859 0.01515680290970 72.640 > 30 118 Ge 0.60394741835271 0.87502481595859 0.01515680290970 72.640 > 30 119 Ge 0.10394741835271 0.87502481595859 0.51515680290970 72.640 > 30 120 Ge 0.60394741835271 0.87502481595859 0.51515680290970 72.640 > 30 121 Ge 0.39605258164729 0.37502481595859 0.23484319709030 72.640 > 31 122 Ge 0.89605258164729 0.37502481595859 0.23484319709030 72.640 > 31 123 Ge 0.39605258164729 0.37502481595859 0.73484319709030 72.640 > 31 124 Ge 0.89605258164729 0.37502481595859 0.73484319709030 72.640 > 31 *125 Ge 0.15944244322695 0.75755950757701 0.45758026060392 72.640 > 32 126 Ge 0.65944244322695 0.75755950757701 0.45758026060392 72.640 > 32 127 Ge 0.15944244322695 0.75755950757701 0.95758026060392 72.640 > 32 128 Ge 0.65944244322695 0.75755950757701 0.95758026060392 72.640 > 32 129 Ge 0.34055755677305 0.25755950757701 0.29241973939608 72.640 > 33 130 Ge 0.84055755677305 0.25755950757701 0.29241973939608 72.640 > 33 131 Ge 0.34055755677305 0.25755950757701 0.79241973939608 72.640 > 33 132 Ge 0.84055755677305 0.25755950757701 0.79241973939608 72.640 > 33 133 Ge 0.34055755677305 0.24244049242299 0.04241973939608 72.640 > 34 134 Ge 0.84055755677305 0.24244049242299 0.04241973939608 72.640 > 34 135 Ge 0.34055755677305 0.24244049242299 0.54241973939608 72.640 > 34 136 Ge 0.84055755677305 0.24244049242299 0.54241973939608 72.640 > 34 137 Ge 0.15944244322695 0.74244049242299 0.20758026060392 72.640 > 35 138 Ge 0.65944244322695 0.74244049242299 0.20758026060392 72.640 > 35 139 Ge 0.15944244322695 0.74244049242299 0.70758026060392 72.640 > 35 140 Ge 0.65944244322695 0.74244049242299 0.70758026060392 72.640 > 35 141 Ge 0.10394741835271 0.62497518404141 0.26515680290970 72.640 > 36 142 Ge 0.60394741835271 0.62497518404141 0.26515680290970 72.640 > 36 143 Ge 0.10394741835271 0.62497518404141 0.76515680290970 72.640 > 36 144 Ge 0.60394741835271 0.62497518404141 0.76515680290970 72.640 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9323673 0.0000000 0.3324620 0.0000000 11.0219008 0.0000000 0.3324686 0.0000000 13.1059187 -------------------------- Born effective charges -------------------------- 1 P -2.9802607 0.3670897 -0.4094253 0.1714835 -3.2687153 0.3420980 -0.5991512 0.5707644 -3.0734437 2 P -2.8086722 -0.2334582 0.2788885 -0.1820510 -2.5662507 -0.4663563 -0.0105429 -0.6640527 -2.9343002 3 P -2.8086722 0.2334582 0.2788885 0.1820510 -2.5662507 0.4663563 -0.0105429 0.6640527 -2.9343002 4 P -2.8086722 -0.2334582 0.2788885 -0.1820510 -2.5662507 -0.4663563 -0.0105429 -0.6640527 -2.9343002 5 P -2.3185785 0.3683691 0.2674306 0.1792544 -2.1349052 0.3143080 0.5786949 0.2427277 -3.1102846 6 P -2.3185785 -0.3683691 0.2674306 -0.1792544 -2.1349052 -0.3143080 0.5786949 -0.2427277 -3.1102846 7 P -2.3185785 0.3683691 0.2674306 0.1792544 -2.1349052 0.3143080 0.5786949 0.2427277 -3.1102846 8 P -2.3185785 -0.3683691 0.2674306 -0.1792544 -2.1349052 -0.3143080 0.5786949 -0.2427277 -3.1102846 9 P -2.6557723 0.4790004 -0.5121725 0.2633895 -3.1584516 0.5513223 -0.4880139 0.5230937 -3.4348562 10 P -2.8086722 0.2334582 0.2788885 0.1820510 -2.5662507 0.4663563 -0.0105429 0.6640527 -2.9343002 11 P -2.6557723 -0.4790004 -0.5121725 -0.2633895 -3.1584516 -0.5513223 -0.4880139 -0.5230937 -3.4348562 12 P -2.6557723 0.4790004 -0.5121725 0.2633895 -3.1584516 0.5513223 -0.4880139 0.5230937 -3.4348562 13 P -2.9802607 -0.3670897 -0.4094253 -0.1714835 -3.2687153 -0.3420980 -0.5991512 -0.5707644 -3.0734437 14 P -2.9802607 0.3670897 -0.4094253 0.1714835 -3.2687153 0.3420980 -0.5991512 0.5707644 -3.0734437 15 P -2.9802607 -0.3670897 -0.4094253 -0.1714835 -3.2687153 -0.3420980 -0.5991512 -0.5707644 -3.0734437 16 P -2.6557723 -0.4790004 -0.5121725 -0.2633895 -3.1584516 -0.5513223 -0.4880139 -0.5230937 -3.4348562 17 Ca 3.1795285 0.1598214 0.0044614 -0.2247503 1.8111072 0.1797331 -0.0074281 -0.2897403 2.4767268 18 Ca 3.1795285 -0.1598214 0.0044614 0.2247503 1.8111072 -0.1797331 -0.0074281 0.2897403 2.4767268 19 Ca 2.5743956 -0.1885840 0.1240626 -0.0904143 2.8450066 -0.1226144 0.2998497 0.2517003 1.8767322 20 Ca 3.1795285 -0.1598214 0.0044614 0.2247503 1.8111072 -0.1797331 -0.0074281 0.2897403 2.4767268 21 Ca 1.9376389 0.0294642 0.0485587 0.2446368 2.8831802 -0.1937565 0.0120477 -0.1896218 2.8026111 22 Ca 1.9376389 -0.0294642 0.0485587 -0.2446368 2.8831802 0.1937565 0.0120477 0.1896218 2.8026111 23 Ca 1.9376389 0.0294642 0.0485587 0.2446368 2.8831802 -0.1937565 0.0120477 -0.1896218 2.8026111 24 Ca 1.9376389 -0.0294642 0.0485587 -0.2446368 2.8831802 0.1937565 0.0120477 0.1896218 2.8026111 25 Ca 2.5743956 0.1885840 0.1240626 0.0904143 2.8450066 0.1226144 0.2998497 -0.2517003 1.8767322 26 Ca 2.5743956 -0.1885840 0.1240626 -0.0904143 2.8450066 -0.1226144 0.2998497 0.2517003 1.8767322 27 Ca 2.5743956 0.1885840 0.1240626 0.0904143 2.8450066 0.1226144 0.2998497 -0.2517003 1.8767322 28 Ca 3.1795285 0.1598214 0.0044614 -0.2247503 1.8111072 0.1797331 -0.0074281 -0.2897403 2.4767268 29 Ge 1.7998865 0.1386084 0.5585789 0.2690247 2.2661567 -0.5187494 0.2623850 -0.2653347 2.4684261 30 Ge 1.7998865 0.1386084 0.5585789 0.2690247 2.2661567 -0.5187494 0.2623850 -0.2653347 2.4684261 31 Ge 1.7998865 -0.1386084 0.5585789 -0.2690247 2.2661567 0.5187494 0.2623850 0.2653347 2.4684261 32 Ge 1.2718341 0.2656871 -0.3603828 0.3797913 1.3228719 0.2817465 -0.0478413 0.0113618 2.9283886 33 Ge 1.2718341 -0.2656871 -0.3603828 -0.3797913 1.3228719 -0.2817465 -0.0478413 -0.0113618 2.9283886 34 Ge 1.2718341 0.2656871 -0.3603828 0.3797913 1.3228719 0.2817465 -0.0478413 0.0113618 2.9283886 35 Ge 1.2718341 -0.2656871 -0.3603828 -0.3797913 1.3228719 -0.2817465 -0.0478413 -0.0113618 2.9283886 36 Ge 1.7998865 -0.1386084 0.5585789 -0.2690247 2.2661567 0.5187494 0.2623850 0.2653347 2.4684261 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.003 Solver_block: 200 / 1120 - Time: 1.793 Solver_block: 300 / 1120 - Time: 1.796 Solver_block: 400 / 1120 - Time: 1.794 Solver_block: 500 / 1120 - Time: 1.802 Solver_block: 600 / 1120 - Time: 1.798 Solver_block: 700 / 1120 - Time: 1.806 Solver_block: 800 / 1120 - Time: 1.802 Solver_block: 900 / 1120 - Time: 1.800 Solver_block: 1000 / 1120 - Time: 1.794 Solver_block: 1100 / 1120 - Time: 1.800 Solver_block: 1120 / 1120 - Time: 0.514 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.025 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), 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 03:48:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:48:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.048471350000177 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -2.575549578930104 0.000000000000000 6.504931136313664 Atomic positions (fractional): 1 P 0.50240312745688 0.56567520538254 0.74669803899040 30.974 2 P 0.96842404985464 0.31483194091496 0.27675111512057 30.974 3 P 0.96842404985464 0.18516805908504 0.77675111512057 30.974 4 P 0.03157595014537 0.68516805908504 0.72324888487943 30.974 5 P 0.51309131776615 0.69634496894493 0.22764625380914 30.974 6 P 0.48690868223385 0.19634496894493 0.27235374619086 30.974 7 P 0.48690868223385 0.30365503105507 0.77235374619087 30.974 8 P 0.51309131776615 0.80365503105507 0.72764625380913 30.974 9 P 0.00279153606863 0.94226413971602 0.74721228839458 30.974 10 P 0.03157595014537 0.81483194091496 0.22324888487943 30.974 11 P 0.99720846393136 0.44226413971602 0.75278771160542 30.974 12 P 0.99720846393136 0.05773586028398 0.25278771160542 30.974 13 P 0.49759687254312 0.06567520538254 0.75330196100960 30.974 14 P 0.49759687254312 0.43432479461746 0.25330196100960 30.974 15 P 0.50240312745688 0.93432479461746 0.24669803899040 30.974 16 P 0.00279153606863 0.55773586028398 0.24721228839458 30.974 17 Ca 0.78410170839739 0.68298164025094 0.98862636778252 40.078 18 Ca 0.21589829160261 0.18298164025094 0.51137363221748 40.078 19 Ca 0.74274341433237 0.93907395172851 0.98797553110476 40.078 20 Ca 0.78410170839739 0.81701835974906 0.48862636778252 40.078 21 Ca 0.26241956758475 0.56034633019610 0.00390807799393 40.078 22 Ca 0.73758043241525 0.06034633019610 0.49609192200607 40.078 23 Ca 0.73758043241525 0.43965366980390 0.99609192200607 40.078 24 Ca 0.26241956758475 0.93965366980390 0.50390807799393 40.078 25 Ca 0.74274341433237 0.56092604827149 0.48797553110476 40.078 26 Ca 0.25725658566763 0.06092604827149 0.01202446889524 40.078 27 Ca 0.25725658566763 0.43907395172851 0.51202446889524 40.078 28 Ca 0.21589829160261 0.31701835974906 0.01137363221748 40.078 29 Ge 0.79210516329458 0.12497518404141 0.96968639418060 72.640 30 Ge 0.20789483670542 0.87502481595859 0.03031360581940 72.640 31 Ge 0.79210516329458 0.37502481595859 0.46968639418060 72.640 32 Ge 0.31888488645389 0.75755950757701 0.91516052120784 72.640 33 Ge 0.68111511354611 0.25755950757701 0.58483947879216 72.640 34 Ge 0.68111511354611 0.24244049242299 0.08483947879216 72.640 35 Ge 0.31888488645389 0.74244049242299 0.41516052120784 72.640 36 Ge 0.20789483670542 0.62497518404141 0.53031360581940 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.096942700000355 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -5.151099157860208 0.000000000000000 13.009862272627329 Atomic positions (fractional): 1 P 0.25120156372844 0.56567520538254 0.37334901949520 30.974 > 1 2 P 0.75120156372844 0.56567520538254 0.37334901949520 30.974 > 1 3 P 0.25120156372844 0.56567520538254 0.87334901949520 30.974 > 1 4 P 0.75120156372844 0.56567520538254 0.87334901949520 30.974 > 1 5 P 0.48421202492732 0.31483194091496 0.13837555756029 30.974 > 5 6 P 0.98421202492732 0.31483194091496 0.13837555756029 30.974 > 5 7 P 0.48421202492732 0.31483194091496 0.63837555756029 30.974 > 5 8 P 0.98421202492732 0.31483194091496 0.63837555756029 30.974 > 5 9 P 0.48421202492732 0.18516805908504 0.38837555756029 30.974 > 9 10 P 0.98421202492732 0.18516805908504 0.38837555756029 30.974 > 9 11 P 0.48421202492732 0.18516805908504 0.88837555756029 30.974 > 9 12 P 0.98421202492732 0.18516805908504 0.88837555756029 30.974 > 9 13 P 0.01578797507268 0.68516805908504 0.36162444243971 30.974 > 13 14 P 0.51578797507268 0.68516805908504 0.36162444243971 30.974 > 13 15 P 0.01578797507268 0.68516805908504 0.86162444243971 30.974 > 13 16 P 0.51578797507268 0.68516805908504 0.86162444243971 30.974 > 13 17 P 0.25654565888308 0.69634496894493 0.11382312690457 30.974 > 17 18 P 0.75654565888308 0.69634496894493 0.11382312690457 30.974 > 17 19 P 0.25654565888308 0.69634496894493 0.61382312690457 30.974 > 17 20 P 0.75654565888308 0.69634496894493 0.61382312690457 30.974 > 17 21 P 0.24345434111692 0.19634496894493 0.13617687309543 30.974 > 21 22 P 0.74345434111692 0.19634496894493 0.13617687309543 30.974 > 21 23 P 0.24345434111692 0.19634496894493 0.63617687309543 30.974 > 21 24 P 0.74345434111692 0.19634496894493 0.63617687309543 30.974 > 21 25 P 0.24345434111692 0.30365503105507 0.38617687309543 30.974 > 25 26 P 0.74345434111692 0.30365503105507 0.38617687309543 30.974 > 25 27 P 0.24345434111692 0.30365503105507 0.88617687309543 30.974 > 25 28 P 0.74345434111692 0.30365503105507 0.88617687309543 30.974 > 25 29 P 0.25654565888308 0.80365503105507 0.36382312690457 30.974 > 29 30 P 0.75654565888308 0.80365503105507 0.36382312690457 30.974 > 29 31 P 0.25654565888308 0.80365503105507 0.86382312690457 30.974 > 29 32 P 0.75654565888308 0.80365503105507 0.86382312690457 30.974 > 29 33 P 0.00139576803432 0.94226413971602 0.37360614419729 30.974 > 33 34 P 0.50139576803432 0.94226413971602 0.37360614419729 30.974 > 33 35 P 0.00139576803432 0.94226413971602 0.87360614419729 30.974 > 33 36 P 0.50139576803432 0.94226413971602 0.87360614419729 30.974 > 33 37 P 0.01578797507268 0.81483194091496 0.11162444243971 30.974 > 37 38 P 0.51578797507268 0.81483194091496 0.11162444243971 30.974 > 37 39 P 0.01578797507268 0.81483194091496 0.61162444243971 30.974 > 37 40 P 0.51578797507268 0.81483194091496 0.61162444243971 30.974 > 37 41 P 0.49860423196568 0.44226413971602 0.37639385580271 30.974 > 41 42 P 0.99860423196568 0.44226413971602 0.37639385580271 30.974 > 41 43 P 0.49860423196568 0.44226413971602 0.87639385580271 30.974 > 41 44 P 0.99860423196568 0.44226413971602 0.87639385580271 30.974 > 41 45 P 0.49860423196568 0.05773586028398 0.12639385580271 30.974 > 45 46 P 0.99860423196568 0.05773586028398 0.12639385580271 30.974 > 45 47 P 0.49860423196568 0.05773586028398 0.62639385580271 30.974 > 45 48 P 0.99860423196568 0.05773586028398 0.62639385580271 30.974 > 45 49 P 0.24879843627156 0.06567520538254 0.37665098050480 30.974 > 49 50 P 0.74879843627156 0.06567520538254 0.37665098050480 30.974 > 49 51 P 0.24879843627156 0.06567520538254 0.87665098050480 30.974 > 49 52 P 0.74879843627156 0.06567520538254 0.87665098050480 30.974 > 49 53 P 0.24879843627156 0.43432479461746 0.12665098050480 30.974 > 53 54 P 0.74879843627156 0.43432479461746 0.12665098050480 30.974 > 53 55 P 0.24879843627156 0.43432479461746 0.62665098050480 30.974 > 53 56 P 0.74879843627156 0.43432479461746 0.62665098050480 30.974 > 53 57 P 0.25120156372844 0.93432479461746 0.12334901949520 30.974 > 57 58 P 0.75120156372844 0.93432479461746 0.12334901949520 30.974 > 57 59 P 0.25120156372844 0.93432479461746 0.62334901949520 30.974 > 57 60 P 0.75120156372844 0.93432479461746 0.62334901949520 30.974 > 57 61 P 0.00139576803432 0.55773586028398 0.12360614419729 30.974 > 61 62 P 0.50139576803432 0.55773586028398 0.12360614419729 30.974 > 61 63 P 0.00139576803432 0.55773586028398 0.62360614419729 30.974 > 61 64 P 0.50139576803432 0.55773586028398 0.62360614419729 30.974 > 61 65 Ca 0.39205085419869 0.68298164025094 0.49431318389126 40.078 > 65 66 Ca 0.89205085419869 0.68298164025094 0.49431318389126 40.078 > 65 67 Ca 0.39205085419869 0.68298164025094 0.99431318389126 40.078 > 65 68 Ca 0.89205085419869 0.68298164025094 0.99431318389126 40.078 > 65 69 Ca 0.10794914580131 0.18298164025094 0.25568681610874 40.078 > 69 70 Ca 0.60794914580131 0.18298164025094 0.25568681610874 40.078 > 69 71 Ca 0.10794914580131 0.18298164025094 0.75568681610874 40.078 > 69 72 Ca 0.60794914580131 0.18298164025094 0.75568681610874 40.078 > 69 73 Ca 0.37137170716619 0.93907395172851 0.49398776555238 40.078 > 73 74 Ca 0.87137170716619 0.93907395172851 0.49398776555238 40.078 > 73 75 Ca 0.37137170716619 0.93907395172851 0.99398776555238 40.078 > 73 76 Ca 0.87137170716619 0.93907395172851 0.99398776555238 40.078 > 73 77 Ca 0.39205085419869 0.81701835974906 0.24431318389126 40.078 > 77 78 Ca 0.89205085419869 0.81701835974906 0.24431318389126 40.078 > 77 79 Ca 0.39205085419869 0.81701835974906 0.74431318389126 40.078 > 77 80 Ca 0.89205085419869 0.81701835974906 0.74431318389126 40.078 > 77 81 Ca 0.13120978379238 0.56034633019610 0.00195403899697 40.078 > 81 82 Ca 0.63120978379238 0.56034633019610 0.00195403899697 40.078 > 81 83 Ca 0.13120978379238 0.56034633019610 0.50195403899697 40.078 > 81 84 Ca 0.63120978379238 0.56034633019610 0.50195403899697 40.078 > 81 85 Ca 0.36879021620762 0.06034633019610 0.24804596100303 40.078 > 85 86 Ca 0.86879021620762 0.06034633019610 0.24804596100303 40.078 > 85 87 Ca 0.36879021620762 0.06034633019610 0.74804596100303 40.078 > 85 88 Ca 0.86879021620762 0.06034633019610 0.74804596100303 40.078 > 85 89 Ca 0.36879021620762 0.43965366980390 0.49804596100303 40.078 > 89 90 Ca 0.86879021620762 0.43965366980390 0.49804596100303 40.078 > 89 91 Ca 0.36879021620762 0.43965366980390 0.99804596100303 40.078 > 89 92 Ca 0.86879021620762 0.43965366980390 0.99804596100303 40.078 > 89 93 Ca 0.13120978379238 0.93965366980390 0.25195403899697 40.078 > 93 94 Ca 0.63120978379238 0.93965366980390 0.25195403899697 40.078 > 93 95 Ca 0.13120978379238 0.93965366980390 0.75195403899697 40.078 > 93 96 Ca 0.63120978379238 0.93965366980390 0.75195403899697 40.078 > 93 97 Ca 0.37137170716619 0.56092604827149 0.24398776555238 40.078 > 97 98 Ca 0.87137170716619 0.56092604827149 0.24398776555238 40.078 > 97 99 Ca 0.37137170716619 0.56092604827149 0.74398776555238 40.078 > 97 100 Ca 0.87137170716619 0.56092604827149 0.74398776555238 40.078 > 97 101 Ca 0.12862829283381 0.06092604827149 0.00601223444762 40.078 > 101 102 Ca 0.62862829283381 0.06092604827149 0.00601223444762 40.078 > 101 103 Ca 0.12862829283381 0.06092604827149 0.50601223444762 40.078 > 101 104 Ca 0.62862829283381 0.06092604827149 0.50601223444762 40.078 > 101 105 Ca 0.12862829283381 0.43907395172851 0.25601223444762 40.078 > 105 106 Ca 0.62862829283381 0.43907395172851 0.25601223444762 40.078 > 105 107 Ca 0.12862829283381 0.43907395172851 0.75601223444762 40.078 > 105 108 Ca 0.62862829283381 0.43907395172851 0.75601223444762 40.078 > 105 109 Ca 0.10794914580131 0.31701835974906 0.00568681610874 40.078 > 109 110 Ca 0.60794914580131 0.31701835974906 0.00568681610874 40.078 > 109 111 Ca 0.10794914580131 0.31701835974906 0.50568681610874 40.078 > 109 112 Ca 0.60794914580131 0.31701835974906 0.50568681610874 40.078 > 109 113 Ge 0.39605258164729 0.12497518404141 0.48484319709030 72.640 > 113 114 Ge 0.89605258164729 0.12497518404141 0.48484319709030 72.640 > 113 115 Ge 0.39605258164729 0.12497518404141 0.98484319709030 72.640 > 113 116 Ge 0.89605258164729 0.12497518404141 0.98484319709030 72.640 > 113 117 Ge 0.10394741835271 0.87502481595859 0.01515680290970 72.640 > 117 118 Ge 0.60394741835271 0.87502481595859 0.01515680290970 72.640 > 117 119 Ge 0.10394741835271 0.87502481595859 0.51515680290970 72.640 > 117 120 Ge 0.60394741835271 0.87502481595859 0.51515680290970 72.640 > 117 121 Ge 0.39605258164729 0.37502481595859 0.23484319709030 72.640 > 121 122 Ge 0.89605258164729 0.37502481595859 0.23484319709030 72.640 > 121 123 Ge 0.39605258164729 0.37502481595859 0.73484319709030 72.640 > 121 124 Ge 0.89605258164729 0.37502481595859 0.73484319709030 72.640 > 121 125 Ge 0.15944244322695 0.75755950757701 0.45758026060392 72.640 > 125 126 Ge 0.65944244322695 0.75755950757701 0.45758026060392 72.640 > 125 127 Ge 0.15944244322695 0.75755950757701 0.95758026060392 72.640 > 125 128 Ge 0.65944244322695 0.75755950757701 0.95758026060392 72.640 > 125 129 Ge 0.34055755677305 0.25755950757701 0.29241973939608 72.640 > 129 130 Ge 0.84055755677305 0.25755950757701 0.29241973939608 72.640 > 129 131 Ge 0.34055755677305 0.25755950757701 0.79241973939608 72.640 > 129 132 Ge 0.84055755677305 0.25755950757701 0.79241973939608 72.640 > 129 133 Ge 0.34055755677305 0.24244049242299 0.04241973939608 72.640 > 133 134 Ge 0.84055755677305 0.24244049242299 0.04241973939608 72.640 > 133 135 Ge 0.34055755677305 0.24244049242299 0.54241973939608 72.640 > 133 136 Ge 0.84055755677305 0.24244049242299 0.54241973939608 72.640 > 133 137 Ge 0.15944244322695 0.74244049242299 0.20758026060392 72.640 > 137 138 Ge 0.65944244322695 0.74244049242299 0.20758026060392 72.640 > 137 139 Ge 0.15944244322695 0.74244049242299 0.70758026060392 72.640 > 137 140 Ge 0.65944244322695 0.74244049242299 0.70758026060392 72.640 > 137 141 Ge 0.10394741835271 0.62497518404141 0.26515680290970 72.640 > 141 142 Ge 0.60394741835271 0.62497518404141 0.26515680290970 72.640 > 141 143 Ge 0.10394741835271 0.62497518404141 0.76515680290970 72.640 > 141 144 Ge 0.60394741835271 0.62497518404141 0.76515680290970 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9323673 0.0000000 0.3324620 0.0000000 11.0219008 0.0000000 0.3324686 0.0000000 13.1059187 -------------------------- Born effective charges -------------------------- 1 P -2.9802607 0.3670897 -0.4094253 0.1714835 -3.2687153 0.3420980 -0.5991512 0.5707644 -3.0734437 2 P -2.8086722 -0.2334582 0.2788885 -0.1820510 -2.5662507 -0.4663563 -0.0105429 -0.6640527 -2.9343002 3 P -2.8086722 0.2334582 0.2788885 0.1820510 -2.5662507 0.4663563 -0.0105429 0.6640527 -2.9343002 4 P -2.8086722 -0.2334582 0.2788885 -0.1820510 -2.5662507 -0.4663563 -0.0105429 -0.6640527 -2.9343002 5 P -2.3185785 0.3683691 0.2674306 0.1792544 -2.1349052 0.3143080 0.5786949 0.2427277 -3.1102846 6 P -2.3185785 -0.3683691 0.2674306 -0.1792544 -2.1349052 -0.3143080 0.5786949 -0.2427277 -3.1102846 7 P -2.3185785 0.3683691 0.2674306 0.1792544 -2.1349052 0.3143080 0.5786949 0.2427277 -3.1102846 8 P -2.3185785 -0.3683691 0.2674306 -0.1792544 -2.1349052 -0.3143080 0.5786949 -0.2427277 -3.1102846 9 P -2.6557723 0.4790004 -0.5121725 0.2633895 -3.1584516 0.5513223 -0.4880139 0.5230937 -3.4348562 10 P -2.8086722 0.2334582 0.2788885 0.1820510 -2.5662507 0.4663563 -0.0105429 0.6640527 -2.9343002 11 P -2.6557723 -0.4790004 -0.5121725 -0.2633895 -3.1584516 -0.5513223 -0.4880139 -0.5230937 -3.4348562 12 P -2.6557723 0.4790004 -0.5121725 0.2633895 -3.1584516 0.5513223 -0.4880139 0.5230937 -3.4348562 13 P -2.9802607 -0.3670897 -0.4094253 -0.1714835 -3.2687153 -0.3420980 -0.5991512 -0.5707644 -3.0734437 14 P -2.9802607 0.3670897 -0.4094253 0.1714835 -3.2687153 0.3420980 -0.5991512 0.5707644 -3.0734437 15 P -2.9802607 -0.3670897 -0.4094253 -0.1714835 -3.2687153 -0.3420980 -0.5991512 -0.5707644 -3.0734437 16 P -2.6557723 -0.4790004 -0.5121725 -0.2633895 -3.1584516 -0.5513223 -0.4880139 -0.5230937 -3.4348562 17 Ca 3.1795285 0.1598214 0.0044614 -0.2247503 1.8111072 0.1797331 -0.0074281 -0.2897403 2.4767268 18 Ca 3.1795285 -0.1598214 0.0044614 0.2247503 1.8111072 -0.1797331 -0.0074281 0.2897403 2.4767268 19 Ca 2.5743956 -0.1885840 0.1240626 -0.0904143 2.8450066 -0.1226144 0.2998497 0.2517003 1.8767322 20 Ca 3.1795285 -0.1598214 0.0044614 0.2247503 1.8111072 -0.1797331 -0.0074281 0.2897403 2.4767268 21 Ca 1.9376389 0.0294642 0.0485587 0.2446368 2.8831802 -0.1937565 0.0120477 -0.1896218 2.8026111 22 Ca 1.9376389 -0.0294642 0.0485587 -0.2446368 2.8831802 0.1937565 0.0120477 0.1896218 2.8026111 23 Ca 1.9376389 0.0294642 0.0485587 0.2446368 2.8831802 -0.1937565 0.0120477 -0.1896218 2.8026111 24 Ca 1.9376389 -0.0294642 0.0485587 -0.2446368 2.8831802 0.1937565 0.0120477 0.1896218 2.8026111 25 Ca 2.5743956 0.1885840 0.1240626 0.0904143 2.8450066 0.1226144 0.2998497 -0.2517003 1.8767322 26 Ca 2.5743956 -0.1885840 0.1240626 -0.0904143 2.8450066 -0.1226144 0.2998497 0.2517003 1.8767322 27 Ca 2.5743956 0.1885840 0.1240626 0.0904143 2.8450066 0.1226144 0.2998497 -0.2517003 1.8767322 28 Ca 3.1795285 0.1598214 0.0044614 -0.2247503 1.8111072 0.1797331 -0.0074281 -0.2897403 2.4767268 29 Ge 1.7998865 0.1386084 0.5585789 0.2690247 2.2661567 -0.5187494 0.2623850 -0.2653347 2.4684261 30 Ge 1.7998865 0.1386084 0.5585789 0.2690247 2.2661567 -0.5187494 0.2623850 -0.2653347 2.4684261 31 Ge 1.7998865 -0.1386084 0.5585789 -0.2690247 2.2661567 0.5187494 0.2623850 0.2653347 2.4684261 32 Ge 1.2718341 0.2656871 -0.3603828 0.3797913 1.3228719 0.2817465 -0.0478413 0.0113618 2.9283886 33 Ge 1.2718341 -0.2656871 -0.3603828 -0.3797913 1.3228719 -0.2817465 -0.0478413 -0.0113618 2.9283886 34 Ge 1.2718341 0.2656871 -0.3603828 0.3797913 1.3228719 0.2817465 -0.0478413 0.0113618 2.9283886 35 Ge 1.2718341 -0.2656871 -0.3603828 -0.3797913 1.3228719 -0.2817465 -0.0478413 -0.0113618 2.9283886 36 Ge 1.7998865 -0.1386084 0.5585789 -0.2690247 2.2661567 0.5187494 0.2623850 0.2653347 2.4684261 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 73, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 113, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 125, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 03:49:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:49:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.048471350000177 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -2.575549578930104 0.000000000000000 6.504931136313664 Atomic positions (fractional): 1 P 0.50240312745688 0.56567520538254 0.74669803899040 30.974 2 P 0.96842404985464 0.31483194091496 0.27675111512057 30.974 3 P 0.96842404985464 0.18516805908504 0.77675111512057 30.974 4 P 0.03157595014537 0.68516805908504 0.72324888487943 30.974 5 P 0.51309131776615 0.69634496894493 0.22764625380914 30.974 6 P 0.48690868223385 0.19634496894493 0.27235374619086 30.974 7 P 0.48690868223385 0.30365503105507 0.77235374619087 30.974 8 P 0.51309131776615 0.80365503105507 0.72764625380913 30.974 9 P 0.00279153606863 0.94226413971602 0.74721228839458 30.974 10 P 0.03157595014537 0.81483194091496 0.22324888487943 30.974 11 P 0.99720846393136 0.44226413971602 0.75278771160542 30.974 12 P 0.99720846393136 0.05773586028398 0.25278771160542 30.974 13 P 0.49759687254312 0.06567520538254 0.75330196100960 30.974 14 P 0.49759687254312 0.43432479461746 0.25330196100960 30.974 15 P 0.50240312745688 0.93432479461746 0.24669803899040 30.974 16 P 0.00279153606863 0.55773586028398 0.24721228839458 30.974 17 Ca 0.78410170839739 0.68298164025094 0.98862636778252 40.078 18 Ca 0.21589829160261 0.18298164025094 0.51137363221748 40.078 19 Ca 0.74274341433237 0.93907395172851 0.98797553110476 40.078 20 Ca 0.78410170839739 0.81701835974906 0.48862636778252 40.078 21 Ca 0.26241956758475 0.56034633019610 0.00390807799393 40.078 22 Ca 0.73758043241525 0.06034633019610 0.49609192200607 40.078 23 Ca 0.73758043241525 0.43965366980390 0.99609192200607 40.078 24 Ca 0.26241956758475 0.93965366980390 0.50390807799393 40.078 25 Ca 0.74274341433237 0.56092604827149 0.48797553110476 40.078 26 Ca 0.25725658566763 0.06092604827149 0.01202446889524 40.078 27 Ca 0.25725658566763 0.43907395172851 0.51202446889524 40.078 28 Ca 0.21589829160261 0.31701835974906 0.01137363221748 40.078 29 Ge 0.79210516329458 0.12497518404141 0.96968639418060 72.640 30 Ge 0.20789483670542 0.87502481595859 0.03031360581940 72.640 31 Ge 0.79210516329458 0.37502481595859 0.46968639418060 72.640 32 Ge 0.31888488645389 0.75755950757701 0.91516052120784 72.640 33 Ge 0.68111511354611 0.25755950757701 0.58483947879216 72.640 34 Ge 0.68111511354611 0.24244049242299 0.08483947879216 72.640 35 Ge 0.31888488645389 0.74244049242299 0.41516052120784 72.640 36 Ge 0.20789483670542 0.62497518404141 0.53031360581940 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.096942700000355 0.000000000000000 0.000000000000000 b 0.000000000000000 17.274340970000001 0.000000000000000 c -5.151099157860208 0.000000000000000 13.009862272627329 Atomic positions (fractional): 1 P 0.25120156372844 0.56567520538254 0.37334901949520 30.974 > 1 2 P 0.75120156372844 0.56567520538254 0.37334901949520 30.974 > 1 3 P 0.25120156372844 0.56567520538254 0.87334901949520 30.974 > 1 4 P 0.75120156372844 0.56567520538254 0.87334901949520 30.974 > 1 5 P 0.48421202492732 0.31483194091496 0.13837555756029 30.974 > 5 6 P 0.98421202492732 0.31483194091496 0.13837555756029 30.974 > 5 7 P 0.48421202492732 0.31483194091496 0.63837555756029 30.974 > 5 8 P 0.98421202492732 0.31483194091496 0.63837555756029 30.974 > 5 9 P 0.48421202492732 0.18516805908504 0.38837555756029 30.974 > 9 10 P 0.98421202492732 0.18516805908504 0.38837555756029 30.974 > 9 11 P 0.48421202492732 0.18516805908504 0.88837555756029 30.974 > 9 12 P 0.98421202492732 0.18516805908504 0.88837555756029 30.974 > 9 13 P 0.01578797507268 0.68516805908504 0.36162444243971 30.974 > 13 14 P 0.51578797507268 0.68516805908504 0.36162444243971 30.974 > 13 15 P 0.01578797507268 0.68516805908504 0.86162444243971 30.974 > 13 16 P 0.51578797507268 0.68516805908504 0.86162444243971 30.974 > 13 17 P 0.25654565888308 0.69634496894493 0.11382312690457 30.974 > 17 18 P 0.75654565888308 0.69634496894493 0.11382312690457 30.974 > 17 19 P 0.25654565888308 0.69634496894493 0.61382312690457 30.974 > 17 20 P 0.75654565888308 0.69634496894493 0.61382312690457 30.974 > 17 21 P 0.24345434111692 0.19634496894493 0.13617687309543 30.974 > 21 22 P 0.74345434111692 0.19634496894493 0.13617687309543 30.974 > 21 23 P 0.24345434111692 0.19634496894493 0.63617687309543 30.974 > 21 24 P 0.74345434111692 0.19634496894493 0.63617687309543 30.974 > 21 25 P 0.24345434111692 0.30365503105507 0.38617687309543 30.974 > 25 26 P 0.74345434111692 0.30365503105507 0.38617687309543 30.974 > 25 27 P 0.24345434111692 0.30365503105507 0.88617687309543 30.974 > 25 28 P 0.74345434111692 0.30365503105507 0.88617687309543 30.974 > 25 29 P 0.25654565888308 0.80365503105507 0.36382312690457 30.974 > 29 30 P 0.75654565888308 0.80365503105507 0.36382312690457 30.974 > 29 31 P 0.25654565888308 0.80365503105507 0.86382312690457 30.974 > 29 32 P 0.75654565888308 0.80365503105507 0.86382312690457 30.974 > 29 33 P 0.00139576803432 0.94226413971602 0.37360614419729 30.974 > 33 34 P 0.50139576803432 0.94226413971602 0.37360614419729 30.974 > 33 35 P 0.00139576803432 0.94226413971602 0.87360614419729 30.974 > 33 36 P 0.50139576803432 0.94226413971602 0.87360614419729 30.974 > 33 37 P 0.01578797507268 0.81483194091496 0.11162444243971 30.974 > 37 38 P 0.51578797507268 0.81483194091496 0.11162444243971 30.974 > 37 39 P 0.01578797507268 0.81483194091496 0.61162444243971 30.974 > 37 40 P 0.51578797507268 0.81483194091496 0.61162444243971 30.974 > 37 41 P 0.49860423196568 0.44226413971602 0.37639385580271 30.974 > 41 42 P 0.99860423196568 0.44226413971602 0.37639385580271 30.974 > 41 43 P 0.49860423196568 0.44226413971602 0.87639385580271 30.974 > 41 44 P 0.99860423196568 0.44226413971602 0.87639385580271 30.974 > 41 45 P 0.49860423196568 0.05773586028398 0.12639385580271 30.974 > 45 46 P 0.99860423196568 0.05773586028398 0.12639385580271 30.974 > 45 47 P 0.49860423196568 0.05773586028398 0.62639385580271 30.974 > 45 48 P 0.99860423196568 0.05773586028398 0.62639385580271 30.974 > 45 49 P 0.24879843627156 0.06567520538254 0.37665098050480 30.974 > 49 50 P 0.74879843627156 0.06567520538254 0.37665098050480 30.974 > 49 51 P 0.24879843627156 0.06567520538254 0.87665098050480 30.974 > 49 52 P 0.74879843627156 0.06567520538254 0.87665098050480 30.974 > 49 53 P 0.24879843627156 0.43432479461746 0.12665098050480 30.974 > 53 54 P 0.74879843627156 0.43432479461746 0.12665098050480 30.974 > 53 55 P 0.24879843627156 0.43432479461746 0.62665098050480 30.974 > 53 56 P 0.74879843627156 0.43432479461746 0.62665098050480 30.974 > 53 57 P 0.25120156372844 0.93432479461746 0.12334901949520 30.974 > 57 58 P 0.75120156372844 0.93432479461746 0.12334901949520 30.974 > 57 59 P 0.25120156372844 0.93432479461746 0.62334901949520 30.974 > 57 60 P 0.75120156372844 0.93432479461746 0.62334901949520 30.974 > 57 61 P 0.00139576803432 0.55773586028398 0.12360614419729 30.974 > 61 62 P 0.50139576803432 0.55773586028398 0.12360614419729 30.974 > 61 63 P 0.00139576803432 0.55773586028398 0.62360614419729 30.974 > 61 64 P 0.50139576803432 0.55773586028398 0.62360614419729 30.974 > 61 65 Ca 0.39205085419869 0.68298164025094 0.49431318389126 40.078 > 65 66 Ca 0.89205085419869 0.68298164025094 0.49431318389126 40.078 > 65 67 Ca 0.39205085419869 0.68298164025094 0.99431318389126 40.078 > 65 68 Ca 0.89205085419869 0.68298164025094 0.99431318389126 40.078 > 65 69 Ca 0.10794914580131 0.18298164025094 0.25568681610874 40.078 > 69 70 Ca 0.60794914580131 0.18298164025094 0.25568681610874 40.078 > 69 71 Ca 0.10794914580131 0.18298164025094 0.75568681610874 40.078 > 69 72 Ca 0.60794914580131 0.18298164025094 0.75568681610874 40.078 > 69 73 Ca 0.37137170716619 0.93907395172851 0.49398776555238 40.078 > 73 74 Ca 0.87137170716619 0.93907395172851 0.49398776555238 40.078 > 73 75 Ca 0.37137170716619 0.93907395172851 0.99398776555238 40.078 > 73 76 Ca 0.87137170716619 0.93907395172851 0.99398776555238 40.078 > 73 77 Ca 0.39205085419869 0.81701835974906 0.24431318389126 40.078 > 77 78 Ca 0.89205085419869 0.81701835974906 0.24431318389126 40.078 > 77 79 Ca 0.39205085419869 0.81701835974906 0.74431318389126 40.078 > 77 80 Ca 0.89205085419869 0.81701835974906 0.74431318389126 40.078 > 77 81 Ca 0.13120978379238 0.56034633019610 0.00195403899697 40.078 > 81 82 Ca 0.63120978379238 0.56034633019610 0.00195403899697 40.078 > 81 83 Ca 0.13120978379238 0.56034633019610 0.50195403899697 40.078 > 81 84 Ca 0.63120978379238 0.56034633019610 0.50195403899697 40.078 > 81 85 Ca 0.36879021620762 0.06034633019610 0.24804596100303 40.078 > 85 86 Ca 0.86879021620762 0.06034633019610 0.24804596100303 40.078 > 85 87 Ca 0.36879021620762 0.06034633019610 0.74804596100303 40.078 > 85 88 Ca 0.86879021620762 0.06034633019610 0.74804596100303 40.078 > 85 89 Ca 0.36879021620762 0.43965366980390 0.49804596100303 40.078 > 89 90 Ca 0.86879021620762 0.43965366980390 0.49804596100303 40.078 > 89 91 Ca 0.36879021620762 0.43965366980390 0.99804596100303 40.078 > 89 92 Ca 0.86879021620762 0.43965366980390 0.99804596100303 40.078 > 89 93 Ca 0.13120978379238 0.93965366980390 0.25195403899697 40.078 > 93 94 Ca 0.63120978379238 0.93965366980390 0.25195403899697 40.078 > 93 95 Ca 0.13120978379238 0.93965366980390 0.75195403899697 40.078 > 93 96 Ca 0.63120978379238 0.93965366980390 0.75195403899697 40.078 > 93 97 Ca 0.37137170716619 0.56092604827149 0.24398776555238 40.078 > 97 98 Ca 0.87137170716619 0.56092604827149 0.24398776555238 40.078 > 97 99 Ca 0.37137170716619 0.56092604827149 0.74398776555238 40.078 > 97 100 Ca 0.87137170716619 0.56092604827149 0.74398776555238 40.078 > 97 101 Ca 0.12862829283381 0.06092604827149 0.00601223444762 40.078 > 101 102 Ca 0.62862829283381 0.06092604827149 0.00601223444762 40.078 > 101 103 Ca 0.12862829283381 0.06092604827149 0.50601223444762 40.078 > 101 104 Ca 0.62862829283381 0.06092604827149 0.50601223444762 40.078 > 101 105 Ca 0.12862829283381 0.43907395172851 0.25601223444762 40.078 > 105 106 Ca 0.62862829283381 0.43907395172851 0.25601223444762 40.078 > 105 107 Ca 0.12862829283381 0.43907395172851 0.75601223444762 40.078 > 105 108 Ca 0.62862829283381 0.43907395172851 0.75601223444762 40.078 > 105 109 Ca 0.10794914580131 0.31701835974906 0.00568681610874 40.078 > 109 110 Ca 0.60794914580131 0.31701835974906 0.00568681610874 40.078 > 109 111 Ca 0.10794914580131 0.31701835974906 0.50568681610874 40.078 > 109 112 Ca 0.60794914580131 0.31701835974906 0.50568681610874 40.078 > 109 113 Ge 0.39605258164729 0.12497518404141 0.48484319709030 72.640 > 113 114 Ge 0.89605258164729 0.12497518404141 0.48484319709030 72.640 > 113 115 Ge 0.39605258164729 0.12497518404141 0.98484319709030 72.640 > 113 116 Ge 0.89605258164729 0.12497518404141 0.98484319709030 72.640 > 113 117 Ge 0.10394741835271 0.87502481595859 0.01515680290970 72.640 > 117 118 Ge 0.60394741835271 0.87502481595859 0.01515680290970 72.640 > 117 119 Ge 0.10394741835271 0.87502481595859 0.51515680290970 72.640 > 117 120 Ge 0.60394741835271 0.87502481595859 0.51515680290970 72.640 > 117 121 Ge 0.39605258164729 0.37502481595859 0.23484319709030 72.640 > 121 122 Ge 0.89605258164729 0.37502481595859 0.23484319709030 72.640 > 121 123 Ge 0.39605258164729 0.37502481595859 0.73484319709030 72.640 > 121 124 Ge 0.89605258164729 0.37502481595859 0.73484319709030 72.640 > 121 125 Ge 0.15944244322695 0.75755950757701 0.45758026060392 72.640 > 125 126 Ge 0.65944244322695 0.75755950757701 0.45758026060392 72.640 > 125 127 Ge 0.15944244322695 0.75755950757701 0.95758026060392 72.640 > 125 128 Ge 0.65944244322695 0.75755950757701 0.95758026060392 72.640 > 125 129 Ge 0.34055755677305 0.25755950757701 0.29241973939608 72.640 > 129 130 Ge 0.84055755677305 0.25755950757701 0.29241973939608 72.640 > 129 131 Ge 0.34055755677305 0.25755950757701 0.79241973939608 72.640 > 129 132 Ge 0.84055755677305 0.25755950757701 0.79241973939608 72.640 > 129 133 Ge 0.34055755677305 0.24244049242299 0.04241973939608 72.640 > 133 134 Ge 0.84055755677305 0.24244049242299 0.04241973939608 72.640 > 133 135 Ge 0.34055755677305 0.24244049242299 0.54241973939608 72.640 > 133 136 Ge 0.84055755677305 0.24244049242299 0.54241973939608 72.640 > 133 137 Ge 0.15944244322695 0.74244049242299 0.20758026060392 72.640 > 137 138 Ge 0.65944244322695 0.74244049242299 0.20758026060392 72.640 > 137 139 Ge 0.15944244322695 0.74244049242299 0.70758026060392 72.640 > 137 140 Ge 0.65944244322695 0.74244049242299 0.70758026060392 72.640 > 137 141 Ge 0.10394741835271 0.62497518404141 0.26515680290970 72.640 > 141 142 Ge 0.60394741835271 0.62497518404141 0.26515680290970 72.640 > 141 143 Ge 0.10394741835271 0.62497518404141 0.76515680290970 72.640 > 141 144 Ge 0.60394741835271 0.62497518404141 0.76515680290970 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9323673 0.0000000 0.3324620 0.0000000 11.0219008 0.0000000 0.3324686 0.0000000 13.1059187 -------------------------- Born effective charges -------------------------- 1 P -2.9802607 0.3670897 -0.4094253 0.1714835 -3.2687153 0.3420980 -0.5991512 0.5707644 -3.0734437 2 P -2.8086722 -0.2334582 0.2788885 -0.1820510 -2.5662507 -0.4663563 -0.0105429 -0.6640527 -2.9343002 3 P -2.8086722 0.2334582 0.2788885 0.1820510 -2.5662507 0.4663563 -0.0105429 0.6640527 -2.9343002 4 P -2.8086722 -0.2334582 0.2788885 -0.1820510 -2.5662507 -0.4663563 -0.0105429 -0.6640527 -2.9343002 5 P -2.3185785 0.3683691 0.2674306 0.1792544 -2.1349052 0.3143080 0.5786949 0.2427277 -3.1102846 6 P -2.3185785 -0.3683691 0.2674306 -0.1792544 -2.1349052 -0.3143080 0.5786949 -0.2427277 -3.1102846 7 P -2.3185785 0.3683691 0.2674306 0.1792544 -2.1349052 0.3143080 0.5786949 0.2427277 -3.1102846 8 P -2.3185785 -0.3683691 0.2674306 -0.1792544 -2.1349052 -0.3143080 0.5786949 -0.2427277 -3.1102846 9 P -2.6557723 0.4790004 -0.5121725 0.2633895 -3.1584516 0.5513223 -0.4880139 0.5230937 -3.4348562 10 P -2.8086722 0.2334582 0.2788885 0.1820510 -2.5662507 0.4663563 -0.0105429 0.6640527 -2.9343002 11 P -2.6557723 -0.4790004 -0.5121725 -0.2633895 -3.1584516 -0.5513223 -0.4880139 -0.5230937 -3.4348562 12 P -2.6557723 0.4790004 -0.5121725 0.2633895 -3.1584516 0.5513223 -0.4880139 0.5230937 -3.4348562 13 P -2.9802607 -0.3670897 -0.4094253 -0.1714835 -3.2687153 -0.3420980 -0.5991512 -0.5707644 -3.0734437 14 P -2.9802607 0.3670897 -0.4094253 0.1714835 -3.2687153 0.3420980 -0.5991512 0.5707644 -3.0734437 15 P -2.9802607 -0.3670897 -0.4094253 -0.1714835 -3.2687153 -0.3420980 -0.5991512 -0.5707644 -3.0734437 16 P -2.6557723 -0.4790004 -0.5121725 -0.2633895 -3.1584516 -0.5513223 -0.4880139 -0.5230937 -3.4348562 17 Ca 3.1795285 0.1598214 0.0044614 -0.2247503 1.8111072 0.1797331 -0.0074281 -0.2897403 2.4767268 18 Ca 3.1795285 -0.1598214 0.0044614 0.2247503 1.8111072 -0.1797331 -0.0074281 0.2897403 2.4767268 19 Ca 2.5743956 -0.1885840 0.1240626 -0.0904143 2.8450066 -0.1226144 0.2998497 0.2517003 1.8767322 20 Ca 3.1795285 -0.1598214 0.0044614 0.2247503 1.8111072 -0.1797331 -0.0074281 0.2897403 2.4767268 21 Ca 1.9376389 0.0294642 0.0485587 0.2446368 2.8831802 -0.1937565 0.0120477 -0.1896218 2.8026111 22 Ca 1.9376389 -0.0294642 0.0485587 -0.2446368 2.8831802 0.1937565 0.0120477 0.1896218 2.8026111 23 Ca 1.9376389 0.0294642 0.0485587 0.2446368 2.8831802 -0.1937565 0.0120477 -0.1896218 2.8026111 24 Ca 1.9376389 -0.0294642 0.0485587 -0.2446368 2.8831802 0.1937565 0.0120477 0.1896218 2.8026111 25 Ca 2.5743956 0.1885840 0.1240626 0.0904143 2.8450066 0.1226144 0.2998497 -0.2517003 1.8767322 26 Ca 2.5743956 -0.1885840 0.1240626 -0.0904143 2.8450066 -0.1226144 0.2998497 0.2517003 1.8767322 27 Ca 2.5743956 0.1885840 0.1240626 0.0904143 2.8450066 0.1226144 0.2998497 -0.2517003 1.8767322 28 Ca 3.1795285 0.1598214 0.0044614 -0.2247503 1.8111072 0.1797331 -0.0074281 -0.2897403 2.4767268 29 Ge 1.7998865 0.1386084 0.5585789 0.2690247 2.2661567 -0.5187494 0.2623850 -0.2653347 2.4684261 30 Ge 1.7998865 0.1386084 0.5585789 0.2690247 2.2661567 -0.5187494 0.2623850 -0.2653347 2.4684261 31 Ge 1.7998865 -0.1386084 0.5585789 -0.2690247 2.2661567 0.5187494 0.2623850 0.2653347 2.4684261 32 Ge 1.2718341 0.2656871 -0.3603828 0.3797913 1.3228719 0.2817465 -0.0478413 0.0113618 2.9283886 33 Ge 1.2718341 -0.2656871 -0.3603828 -0.3797913 1.3228719 -0.2817465 -0.0478413 -0.0113618 2.9283886 34 Ge 1.2718341 0.2656871 -0.3603828 0.3797913 1.3228719 0.2817465 -0.0478413 0.0113618 2.9283886 35 Ge 1.2718341 -0.2656871 -0.3603828 -0.3797913 1.3228719 -0.2817465 -0.0478413 -0.0113618 2.9283886 36 Ge 1.7998865 -0.1386084 0.5585789 -0.2690247 2.2661567 0.5187494 0.2623850 0.2653347 2.4684261 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 3 8 ] 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: 0.45, Number of G-points: 287, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/68) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 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 1.583 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.529 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.539 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/68) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 29.771 0.000 21.778) 36.886 0.693 ( 37.865 0.000 1.713) 37.904 1.028 ( 46.391 0.000 24.806) 52.607 1.675 ( 12.228 0.000 -5.403) 13.368 1.925 ( 3.776 0.000 -5.228) 6.449 2.074 ( -1.963 0.000 -6.939) 7.211 2.234 ( 5.594 0.000 -14.775) 15.798 2.728 ( 1.359 0.000 2.262) 2.639 2.740 ( 4.489 0.000 6.547) 7.938 2.905 ( 4.120 0.000 5.573) 6.930 3.013 ( 1.174 0.000 -2.321) 2.601 3.071 ( -0.106 0.000 -0.177) 0.206 3.185 ( 7.133 0.000 6.973) 9.975 3.241 ( 0.873 0.000 2.695) 2.833 3.285 ( -3.606 0.000 -0.368) 3.625 3.387 ( -3.585 0.000 -2.151) 4.181 3.512 ( -0.763 0.000 -1.128) 1.362 3.539 ( -4.726 0.000 -0.739) 4.783 3.568 ( 4.846 0.000 2.459) 5.434 3.581 ( -1.134 0.000 -0.901) 1.448 3.753 ( -1.050 0.000 4.758) 4.873 3.793 ( -0.671 0.000 3.524) 3.587 3.804 ( 5.410 0.000 0.089) 5.410 3.873 ( 1.287 0.000 -0.071) 1.289 3.885 ( -2.717 0.000 1.090) 2.927 3.933 ( -0.146 0.000 -3.344) 3.347 3.980 ( 3.349 0.000 0.803) 3.444 3.982 ( -0.417 0.000 -0.303) 0.516 4.053 ( -2.888 0.000 -3.265) 4.359 4.163 ( 8.694 0.000 4.855) 9.957 4.266 ( 0.243 0.000 -3.497) 3.505 4.266 ( -1.313 0.000 -4.453) 4.643 4.346 ( -3.341 0.000 2.020) 3.905 4.427 ( -2.176 0.000 -3.456) 4.084 4.460 ( -3.264 0.000 -2.601) 4.174 4.468 ( -1.997 0.000 -2.941) 3.555 4.515 ( -0.582 0.000 -2.515) 2.581 4.612 ( -2.619 0.000 -6.096) 6.635 4.637 ( 4.712 0.000 -1.141) 4.848 4.701 ( 0.273 0.000 4.890) 4.897 4.742 ( 0.875 0.000 -5.044) 5.119 4.748 ( -1.670 0.000 4.829) 5.110 4.790 ( -0.771 0.000 5.194) 5.251 4.908 ( -1.556 0.000 5.658) 5.868 5.119 ( 0.908 0.000 0.583) 1.079 5.338 ( -4.910 0.000 11.176) 12.207 5.351 ( -10.602 0.000 3.452) 11.150 5.430 ( 5.634 0.000 -3.593) 6.682 5.451 ( -8.072 0.000 11.700) 14.214 5.544 ( 1.703 0.000 -2.431) 2.968 5.679 ( -4.361 0.000 5.908) 7.344 5.693 ( -6.447 0.000 14.398) 15.776 5.816 ( 3.699 0.000 5.776) 6.859 5.950 ( 1.632 0.000 -1.365) 2.128 6.019 ( 4.237 0.000 7.214) 8.367 6.050 ( 3.546 0.000 7.501) 8.297 6.225 ( -6.535 0.000 1.871) 6.798 6.229 ( 0.935 0.000 -0.104) 0.941 6.407 ( 3.741 0.000 -4.205) 5.628 6.427 ( 3.098 0.000 -3.322) 4.542 6.565 ( 8.539 0.000 -6.232) 10.572 6.651 ( -1.385 0.000 0.285) 1.414 6.677 ( 4.827 0.000 -8.675) 9.928 6.744 ( 0.895 0.000 -0.751) 1.169 6.780 ( 0.468 0.000 -6.906) 6.922 6.792 ( -8.556 0.000 -3.436) 9.220 6.980 ( -4.638 0.000 1.138) 4.776 7.015 ( -8.581 0.000 7.773) 11.578 7.103 ( 3.271 0.000 -0.284) 3.284 7.142 ( -1.165 0.000 0.596) 1.309 7.149 ( -0.260 0.000 -3.017) 3.028 7.174 ( 0.770 0.000 1.939) 2.087 7.322 ( 1.796 0.000 -0.555) 1.880 7.497 ( -4.683 0.000 2.267) 5.203 7.570 ( -2.551 0.000 1.821) 3.135 7.619 ( -0.429 0.000 -0.212) 0.478 7.665 ( -1.320 0.000 -4.422) 4.615 7.684 ( 1.283 0.000 -7.653) 7.760 7.765 ( -0.522 0.000 -12.140) 12.151 7.880 ( -0.030 0.000 0.529) 0.529 7.946 ( 9.184 0.000 -20.763) 22.704 8.165 ( -0.255 0.000 -1.102) 1.131 8.182 ( -9.196 0.000 -11.399) 14.646 8.341 ( -1.586 0.000 -3.578) 3.913 8.996 ( -1.217 0.000 -0.866) 1.494 9.024 ( 1.226 0.000 -3.494) 3.703 9.033 ( 0.603 0.000 0.715) 0.936 9.077 ( -0.037 0.000 0.676) 0.677 9.350 ( -1.136 0.000 -0.879) 1.436 9.362 ( -1.098 0.000 0.014) 1.098 9.414 ( -1.646 0.000 -0.930) 1.891 9.425 ( -2.234 0.000 -2.356) 3.247 9.527 ( -1.495 0.000 3.813) 4.095 9.560 ( -2.417 0.000 5.932) 6.406 9.673 ( 2.001 0.000 2.975) 3.585 9.745 ( 2.924 0.000 2.761) 4.022 9.941 ( -0.775 0.000 -1.024) 1.284 10.100 ( -4.196 0.000 -2.403) 4.835 10.236 ( 3.969 0.000 0.864) 4.062 10.304 ( 2.239 0.000 -2.025) 3.019 10.387 ( 1.114 0.000 -2.317) 2.571 10.450 ( -1.579 0.000 -3.668) 3.993 10.583 ( 4.223 0.000 0.081) 4.223 10.808 ( -0.674 0.000 -6.234) 6.271 10.808 ( 2.567 0.000 3.508) 4.347 10.929 ( 2.764 0.000 1.113) 2.979 10.996 ( 4.300 0.000 10.580) 11.421 11.444 ( -13.247 0.000 30.599) 33.344 ======================= Grid point 2 (3/68) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 27.492 0.000 21.419) 34.851 1.353 ( 34.427 0.000 2.088) 34.491 1.905 ( 19.542 0.000 -5.210) 20.225 1.944 ( 31.804 0.000 13.973) 34.738 1.958 ( 6.506 0.000 -5.218) 8.340 2.048 ( 9.422 0.000 -4.204) 10.317 2.381 ( 19.708 0.000 -13.786) 24.051 2.780 ( 1.703 0.000 3.907) 4.262 2.788 ( -0.139 0.000 0.955) 0.965 2.991 ( -2.162 0.000 -0.880) 2.334 3.021 ( 2.811 0.000 4.006) 4.894 3.080 ( 2.097 0.000 -3.188) 3.816 3.213 ( -2.958 0.000 1.793) 3.459 3.283 ( 1.821 0.000 2.650) 3.215 3.321 ( -2.600 0.000 -0.057) 2.601 3.339 ( -11.756 0.000 -7.283) 13.830 3.427 ( 10.223 0.000 11.790) 15.605 3.500 ( -6.386 0.000 -2.772) 6.962 3.525 ( 1.140 0.000 1.250) 1.691 3.679 ( 5.707 0.000 0.202) 5.711 3.748 ( -0.114 0.000 -2.490) 2.493 3.782 ( -8.019 0.000 -0.234) 8.023 3.822 ( 1.486 0.000 -0.060) 1.487 3.866 ( -7.486 0.000 -3.695) 8.348 3.869 ( 0.051 0.000 -2.754) 2.755 3.896 ( -1.974 0.000 2.569) 3.239 3.919 ( -0.059 0.000 1.174) 1.176 4.076 ( 4.591 0.000 -3.419) 5.724 4.108 ( 8.075 0.000 3.911) 8.972 4.224 ( -0.014 0.000 -0.194) 0.195 4.274 ( 2.569 0.000 -1.233) 2.850 4.322 ( -3.020 0.000 -7.321) 7.920 4.350 ( 1.413 0.000 3.808) 4.061 4.361 ( 1.091 0.000 -2.004) 2.282 4.381 ( -1.163 0.000 -2.561) 2.813 4.427 ( 0.448 0.000 -3.137) 3.169 4.469 ( 3.423 0.000 -1.633) 3.793 4.597 ( 2.475 0.000 2.136) 3.270 4.632 ( -6.580 0.000 5.046) 8.292 4.706 ( -0.826 0.000 1.705) 1.894 4.708 ( -4.906 0.000 3.673) 6.129 4.790 ( -6.113 0.000 9.288) 11.119 4.817 ( 7.086 0.000 -0.505) 7.104 4.884 ( -4.955 0.000 7.927) 9.349 5.112 ( -4.014 0.000 9.001) 9.856 5.235 ( -3.625 0.000 5.582) 6.656 5.361 ( -0.375 0.000 7.462) 7.471 5.410 ( -5.970 0.000 13.989) 15.210 5.520 ( 2.995 0.000 3.870) 4.894 5.533 ( -0.319 0.000 -4.839) 4.850 5.701 ( -0.391 0.000 10.601) 10.609 5.704 ( -5.107 0.000 17.356) 18.092 5.891 ( -4.502 0.000 -7.255) 8.538 5.909 ( 0.429 0.000 4.641) 4.661 6.102 ( -5.032 0.000 -4.280) 6.606 6.117 ( -6.672 0.000 5.751) 8.808 6.176 ( 0.372 0.000 8.020) 8.028 6.208 ( 5.118 0.000 8.175) 9.644 6.390 ( -2.851 0.000 -6.117) 6.749 6.418 ( -0.451 0.000 -4.069) 4.094 6.564 ( -9.886 0.000 -7.672) 12.514 6.617 ( -0.582 0.000 -4.181) 4.221 6.711 ( 7.317 0.000 -4.843) 8.774 6.770 ( 7.574 0.000 -6.030) 9.682 6.785 ( 7.383 0.000 -5.357) 9.122 6.808 ( 8.299 0.000 -6.475) 10.526 6.850 ( -5.835 0.000 -2.028) 6.178 6.925 ( -3.977 0.000 3.022) 4.995 7.117 ( -0.686 0.000 -2.724) 2.809 7.130 ( -0.596 0.000 0.659) 0.889 7.167 ( 3.357 0.000 -0.245) 3.366 7.220 ( 3.250 0.000 0.014) 3.250 7.330 ( 0.272 0.000 -3.394) 3.405 7.430 ( -3.125 0.000 0.474) 3.161 7.496 ( -8.195 0.000 3.726) 9.003 7.591 ( -2.022 0.000 -7.867) 8.123 7.597 ( -1.547 0.000 -2.514) 2.952 7.635 ( -1.453 0.000 -5.099) 5.302 7.650 ( -4.425 0.000 -7.401) 8.623 7.813 ( -8.963 0.000 -7.761) 11.857 7.936 ( -0.001 0.000 -4.914) 4.914 7.990 ( 1.932 0.000 -8.568) 8.783 8.148 ( -0.709 0.000 -1.093) 1.303 8.276 ( -2.338 0.000 -4.067) 4.691 8.981 ( -0.071 0.000 -0.365) 0.372 9.018 ( 0.364 0.000 -2.204) 2.234 9.049 ( 0.415 0.000 0.910) 1.000 9.077 ( -0.569 0.000 0.923) 1.084 9.324 ( -0.958 0.000 -0.680) 1.174 9.337 ( -1.244 0.000 -0.684) 1.420 9.378 ( -0.605 0.000 -1.196) 1.340 9.396 ( -0.060 0.000 -1.169) 1.170 9.531 ( -1.203 0.000 3.882) 4.064 9.554 ( -1.935 0.000 3.552) 4.044 9.710 ( -0.301 0.000 2.430) 2.448 9.798 ( -0.248 0.000 1.984) 1.999 9.931 ( 1.117 0.000 -0.512) 1.229 10.015 ( -2.396 0.000 -1.823) 3.011 10.309 ( 2.977 0.000 1.271) 3.237 10.340 ( 2.450 0.000 0.154) 2.455 10.383 ( 0.248 0.000 -2.476) 2.488 10.417 ( -0.181 0.000 -1.192) 1.205 10.655 ( 3.762 0.000 -1.735) 4.143 10.749 ( -1.890 0.000 -2.868) 3.435 10.891 ( 3.336 0.000 3.935) 5.159 11.014 ( 4.934 0.000 3.102) 5.828 11.133 ( 2.514 0.000 9.323) 9.656 11.415 ( -7.328 0.000 13.171) 15.072 ======================= Grid point 3 (4/68) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 24.525 0.000 3.237) 24.738 1.938 ( 21.272 0.000 18.788) 28.381 2.072 ( 8.759 0.000 -3.184) 9.320 2.111 ( 12.215 0.000 -1.178) 12.272 2.233 ( 16.361 0.000 -6.515) 17.610 2.508 ( 12.190 0.000 1.796) 12.321 2.645 ( 16.442 0.000 -8.947) 18.718 2.783 ( -0.850 0.000 0.248) 0.885 2.824 ( 0.218 0.000 4.958) 4.963 2.958 ( -1.426 0.000 -0.898) 1.686 2.993 ( -7.208 0.000 -5.420) 9.018 3.085 ( -0.502 0.000 4.247) 4.276 3.091 ( -8.416 0.000 -5.078) 9.829 3.226 ( -4.632 0.000 3.922) 6.070 3.317 ( 7.147 0.000 0.332) 7.155 3.334 ( 3.614 0.000 -1.954) 4.108 3.381 ( -4.372 0.000 -1.442) 4.604 3.569 ( 2.007 0.000 2.413) 3.139 3.605 ( 3.589 0.000 1.018) 3.730 3.646 ( -2.794 0.000 -2.728) 3.905 3.679 ( -6.833 0.000 -3.347) 7.608 3.720 ( -1.121 0.000 1.008) 1.507 3.815 ( 9.022 0.000 -2.762) 9.435 3.818 ( -1.958 0.000 -2.985) 3.570 3.868 ( 2.747 0.000 1.767) 3.266 3.899 ( -2.626 0.000 -1.207) 2.890 3.943 ( 3.453 0.000 4.390) 5.585 4.077 ( -1.624 0.000 -4.371) 4.663 4.107 ( -8.224 0.000 2.961) 8.741 4.200 ( -6.566 0.000 4.750) 8.104 4.256 ( 5.693 0.000 -4.489) 7.250 4.290 ( 2.402 0.000 -4.081) 4.736 4.341 ( -1.479 0.000 3.942) 4.211 4.374 ( 0.140 0.000 1.331) 1.338 4.385 ( 3.295 0.000 -6.777) 7.536 4.448 ( -11.937 0.000 3.386) 12.408 4.540 ( 3.980 0.000 -2.644) 4.778 4.560 ( 7.547 0.000 5.491) 9.334 4.632 ( -8.639 0.000 6.169) 10.615 4.653 ( -5.377 0.000 6.531) 8.460 4.697 ( -3.516 0.000 -0.944) 3.641 4.726 ( -5.263 0.000 4.506) 6.929 4.965 ( 10.013 0.000 3.023) 10.460 5.002 ( 11.567 0.000 9.143) 14.744 5.148 ( -1.144 0.000 14.136) 14.182 5.267 ( 1.940 0.000 3.303) 3.831 5.429 ( 6.089 0.000 0.081) 6.089 5.432 ( -0.732 0.000 0.622) 0.960 5.468 ( -5.827 0.000 7.034) 9.134 5.536 ( -2.188 0.000 2.985) 3.701 5.728 ( -4.508 0.000 11.502) 12.354 5.765 ( -2.990 0.000 7.784) 8.339 5.794 ( -9.497 0.000 -2.161) 9.740 5.822 ( 2.079 0.000 -2.806) 3.492 5.957 ( -5.107 0.000 -11.569) 12.646 5.976 ( -10.311 0.000 -3.918) 11.031 6.249 ( 0.925 0.000 3.594) 3.711 6.291 ( -2.575 0.000 -2.907) 3.884 6.343 ( 3.267 0.000 6.517) 7.290 6.389 ( 0.231 0.000 -2.910) 2.919 6.400 ( -2.605 0.000 -1.050) 2.809 6.575 ( -0.735 0.000 0.543) 0.914 6.625 ( -10.131 0.000 -3.693) 10.783 6.718 ( -1.075 0.000 -4.408) 4.537 6.899 ( 4.393 0.000 -1.696) 4.709 6.941 ( 7.885 0.000 -4.696) 9.178 6.963 ( 9.573 0.000 -1.181) 9.646 6.968 ( 9.078 0.000 -0.146) 9.079 7.102 ( -0.292 0.000 0.309) 0.425 7.118 ( -2.296 0.000 3.148) 3.896 7.217 ( 2.565 0.000 -2.525) 3.599 7.276 ( 3.002 0.000 -1.675) 3.438 7.304 ( 2.050 0.000 -4.738) 5.162 7.362 ( -6.211 0.000 0.811) 6.264 7.401 ( -0.464 0.000 -0.592) 0.752 7.467 ( -6.888 0.000 -4.508) 8.232 7.507 ( -5.383 0.000 -4.108) 6.771 7.532 ( -2.516 0.000 -7.771) 8.168 7.585 ( -2.404 0.000 0.359) 2.431 7.587 ( -7.515 0.000 -6.593) 9.997 7.937 ( 1.398 0.000 -1.490) 2.043 7.992 ( 0.958 0.000 -1.779) 2.021 8.130 ( -0.602 0.000 -0.319) 0.682 8.215 ( -1.668 0.000 -2.376) 2.903 8.983 ( 0.310 0.000 0.054) 0.315 9.007 ( -0.117 0.000 -1.332) 1.337 9.053 ( -0.517 0.000 0.525) 0.737 9.074 ( -0.261 0.000 0.702) 0.749 9.308 ( -0.598 0.000 -0.091) 0.605 9.314 ( -0.738 0.000 -0.617) 0.962 9.380 ( 1.114 0.000 -0.456) 1.203 9.398 ( 0.742 0.000 -0.746) 1.053 9.536 ( -0.775 0.000 2.431) 2.552 9.545 ( -1.014 0.000 1.592) 1.888 9.703 ( -1.415 0.000 1.211) 1.863 9.761 ( -3.153 0.000 -0.306) 3.168 9.970 ( 2.072 0.000 0.857) 2.242 9.997 ( 0.336 0.000 -0.083) 0.346 10.355 ( 1.329 0.000 1.059) 1.699 10.369 ( -0.161 0.000 -1.243) 1.254 10.385 ( 1.987 0.000 0.360) 2.019 10.414 ( 0.152 0.000 -0.408) 0.435 10.679 ( 0.685 0.000 -2.462) 2.555 10.717 ( -0.222 0.000 -0.224) 0.315 10.967 ( 2.279 0.000 2.490) 3.375 11.127 ( 5.023 0.000 2.043) 5.423 11.210 ( 0.627 0.000 4.856) 4.896 11.371 ( -5.046 0.000 5.923) 7.781 ======================= Grid point 4 (5/68) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 -0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 -0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 -0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 -0.000) 0.000 3.230 ( 0.000 0.000 -0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 -0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.553 ( -0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 -0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 -0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 -0.000) 0.000 4.023 ( 0.000 0.000 -0.000) 0.000 4.074 ( -0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 -0.000) 0.000 4.332 ( 0.000 0.000 -0.000) 0.000 4.335 ( -0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 -0.000) 0.000 4.445 ( 0.000 0.000 -0.000) 0.000 4.480 ( -0.000 0.000 0.000) 0.000 4.559 ( -0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 -0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 -0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 -0.000) 0.000 5.202 ( 0.000 0.000 -0.000) 0.000 5.350 ( 0.000 0.000 -0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.502 ( -0.000 0.000 0.000) 0.000 5.524 ( -0.000 0.000 -0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 -0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.752 ( -0.000 0.000 -0.000) 0.000 5.800 ( 0.000 0.000 -0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 -0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 -0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 -0.000) 0.000 7.080 ( -0.000 0.000 0.000) 0.000 7.083 ( -0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 -0.000) 0.000 7.097 ( 0.000 0.000 -0.000) 0.000 7.216 ( 0.000 0.000 -0.000) 0.000 7.279 ( 0.000 0.000 -0.000) 0.000 7.344 ( -0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 -0.000) 0.000 7.366 ( -0.000 0.000 -0.000) 0.000 7.385 ( 0.000 0.000 -0.000) 0.000 7.398 ( 0.000 0.000 -0.000) 0.000 7.457 ( 0.000 0.000 -0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 -0.000) 0.000 7.946 ( 0.000 0.000 -0.000) 0.000 7.993 ( 0.000 0.000 -0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 -0.000) 0.000 8.988 ( 0.000 0.000 -0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 -0.000) 0.000 9.075 ( 0.000 0.000 -0.000) 0.000 9.301 ( 0.000 0.000 -0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 -0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 9.724 ( 0.000 0.000 -0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 10.414 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.997 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/68) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 31.052 0.000) 31.052 0.783 ( 0.000 39.914 0.000) 39.914 1.079 ( 0.000 53.837 0.000) 53.837 1.186 ( 0.000 -27.209 0.000) 27.209 1.528 ( 0.000 -36.733 0.000) 36.733 2.070 ( 0.000 -45.907 0.000) 45.907 2.233 ( 0.000 20.656 0.000) 20.656 2.603 ( 0.000 -16.885 0.000) 16.885 2.742 ( 0.000 15.514 0.000) 15.514 2.839 ( 0.000 16.375 0.000) 16.375 2.950 ( 0.000 -8.801 0.000) 8.801 2.986 ( 0.000 1.077 0.000) 1.077 3.138 ( 0.000 -5.483 0.000) 5.483 3.239 ( 0.000 -10.903 0.000) 10.903 3.337 ( 0.000 10.015 0.000) 10.015 3.408 ( 0.000 4.906 0.000) 4.906 3.472 ( 0.000 0.095 0.000) 0.095 3.506 ( 0.000 -6.734 0.000) 6.734 3.597 ( 0.000 0.817 0.000) 0.817 3.606 ( 0.000 0.962 0.000) 0.962 3.759 ( 0.000 -3.362 0.000) 3.362 3.769 ( 0.000 -3.882 0.000) 3.882 3.852 ( 0.000 2.154 0.000) 2.154 3.880 ( 0.000 -0.577 0.000) 0.577 3.902 ( 0.000 2.872 0.000) 2.872 3.981 ( 0.000 -2.155 0.000) 2.155 4.034 ( 0.000 4.278 0.000) 4.278 4.042 ( 0.000 2.091 0.000) 2.091 4.104 ( 0.000 4.491 0.000) 4.491 4.128 ( 0.000 16.628 0.000) 16.628 4.294 ( 0.000 -8.011 0.000) 8.011 4.322 ( 0.000 4.854 0.000) 4.854 4.356 ( 0.000 2.610 0.000) 2.610 4.395 ( 0.000 -0.857 0.000) 0.857 4.425 ( 0.000 -3.872 0.000) 3.872 4.478 ( 0.000 -8.651 0.000) 8.651 4.524 ( 0.000 3.849 0.000) 3.849 4.585 ( 0.000 -1.487 0.000) 1.487 4.658 ( 0.000 -0.720 0.000) 0.720 4.658 ( 0.000 -1.634 0.000) 1.634 4.726 ( 0.000 5.748 0.000) 5.748 4.739 ( 0.000 1.628 0.000) 1.628 4.815 ( 0.000 -1.620 0.000) 1.620 4.840 ( 0.000 -4.046 0.000) 4.046 5.103 ( 0.000 7.360 0.000) 7.360 5.295 ( 0.000 1.266 0.000) 1.266 5.314 ( 0.000 -4.597 0.000) 4.597 5.437 ( 0.000 -11.987 0.000) 11.987 5.522 ( 0.000 -6.766 0.000) 6.766 5.555 ( 0.000 -1.942 0.000) 1.942 5.622 ( 0.000 9.233 0.000) 9.233 5.773 ( 0.000 5.649 0.000) 5.649 5.813 ( 0.000 -9.703 0.000) 9.703 5.829 ( 0.000 15.257 0.000) 15.257 5.900 ( 0.000 -6.464 0.000) 6.464 6.084 ( 0.000 -6.081 0.000) 6.081 6.277 ( 0.000 2.906 0.000) 2.906 6.294 ( 0.000 0.965 0.000) 0.965 6.379 ( 0.000 0.207 0.000) 0.207 6.399 ( 0.000 -0.937 0.000) 0.937 6.579 ( 0.000 5.336 0.000) 5.336 6.645 ( 0.000 -1.477 0.000) 1.477 6.655 ( 0.000 5.158 0.000) 5.158 6.694 ( 0.000 1.939 0.000) 1.939 6.753 ( 0.000 -5.045 0.000) 5.045 6.833 ( 0.000 -7.786 0.000) 7.786 7.010 ( 0.000 4.688 0.000) 4.688 7.027 ( 0.000 1.974 0.000) 1.974 7.110 ( 0.000 0.868 0.000) 0.868 7.128 ( 0.000 -0.979 0.000) 0.979 7.161 ( 0.000 -0.276 0.000) 0.276 7.169 ( 0.000 -0.479 0.000) 0.479 7.500 ( 0.000 -0.741 0.000) 0.741 7.508 ( 0.000 -1.311 0.000) 1.311 7.601 ( 0.000 1.211 0.000) 1.211 7.618 ( 0.000 -0.546 0.000) 0.546 7.703 ( 0.000 0.608 0.000) 0.608 7.704 ( 0.000 0.388 0.000) 0.388 7.850 ( 0.000 -0.680 0.000) 0.680 7.864 ( 0.000 -1.521 0.000) 1.521 8.107 ( 0.000 6.452 0.000) 6.452 8.234 ( 0.000 -6.120 0.000) 6.120 8.417 ( 0.000 2.625 0.000) 2.625 8.456 ( 0.000 -1.375 0.000) 1.375 9.019 ( 0.000 0.002 0.000) 0.002 9.019 ( 0.000 -0.008 0.000) 0.008 9.075 ( 0.000 0.154 0.000) 0.154 9.079 ( 0.000 -0.153 0.000) 0.153 9.366 ( 0.000 0.067 0.000) 0.067 9.368 ( 0.000 -0.135 0.000) 0.135 9.477 ( 0.000 0.657 0.000) 0.657 9.493 ( 0.000 -0.871 0.000) 0.871 9.537 ( 0.000 0.460 0.000) 0.460 9.541 ( 0.000 -0.021 0.000) 0.021 9.667 ( 0.000 0.873 0.000) 0.873 9.689 ( 0.000 -1.155 0.000) 1.155 10.149 ( 0.000 0.310 0.000) 0.310 10.164 ( 0.000 -1.039 0.000) 1.039 10.179 ( 0.000 1.043 0.000) 1.043 10.191 ( 0.000 -0.181 0.000) 0.181 10.505 ( 0.000 1.067 0.000) 1.067 10.514 ( 0.000 0.726 0.000) 0.726 10.528 ( 0.000 -1.074 0.000) 1.074 10.529 ( 0.000 -0.687 0.000) 0.687 10.894 ( 0.000 -0.148 0.000) 0.148 10.896 ( 0.000 -0.264 0.000) 0.264 10.928 ( 0.000 1.031 0.000) 1.031 10.946 ( 0.000 -0.653 0.000) 0.653 ======================= Grid point 10 (7/68) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 14.403 24.200 4.321) 28.491 0.947 ( 32.464 19.755 -7.913) 38.817 1.317 ( 12.244 -25.760 -4.763) 28.917 1.452 ( 7.395 -32.307 -10.267) 34.697 1.596 ( 29.078 39.739 25.223) 55.326 2.269 ( 5.671 14.441 -0.931) 15.542 2.355 ( 17.275 -26.995 9.446) 33.413 2.620 ( 3.483 -15.734 -2.672) 16.335 2.737 ( -0.225 13.366 2.313) 13.567 2.844 ( 1.511 15.307 -3.437) 15.761 2.931 ( -1.742 -8.689 1.119) 8.932 3.074 ( 6.084 1.202 5.601) 8.357 3.151 ( 0.787 -3.892 1.312) 4.182 3.224 ( -0.665 -12.220 -2.938) 12.586 3.333 ( -0.048 8.312 0.110) 8.313 3.381 ( -2.850 0.437 1.152) 3.105 3.449 ( -2.091 0.453 -1.865) 2.839 3.518 ( 0.495 -5.055 -0.883) 5.155 3.558 ( -2.802 1.253 0.350) 3.089 3.566 ( -2.251 -1.012 1.475) 2.876 3.777 ( 1.136 -0.486 -1.270) 1.772 3.789 ( -0.330 -1.594 3.238) 3.624 3.830 ( -0.545 0.759 -3.032) 3.173 3.854 ( -0.723 2.676 -2.928) 4.032 3.914 ( -3.052 -2.723 -1.501) 4.357 3.936 ( 1.142 2.292 -1.828) 3.146 3.984 ( -3.824 -1.790 1.035) 4.347 4.020 ( -3.571 -1.873 -3.775) 5.523 4.122 ( 3.793 7.449 -0.153) 8.361 4.192 ( 2.123 1.472 0.614) 2.655 4.253 ( -3.065 0.847 -0.890) 3.302 4.290 ( -0.450 -2.702 -1.531) 3.137 4.374 ( 2.807 3.830 0.207) 4.753 4.404 ( 2.423 5.615 4.945) 7.864 4.461 ( 0.983 -0.206 -0.687) 1.217 4.492 ( -1.159 1.198 -4.565) 4.860 4.533 ( -0.003 0.654 -3.136) 3.203 4.580 ( 1.631 -2.659 -4.296) 5.309 4.603 ( -1.714 -2.004 -2.042) 3.335 4.637 ( 0.156 -5.401 0.500) 5.427 4.773 ( 1.814 2.983 4.657) 5.820 4.804 ( -0.488 1.322 7.701) 7.829 4.809 ( 0.245 3.685 1.159) 3.871 4.899 ( 0.842 -2.673 3.664) 4.613 5.105 ( 1.033 5.578 -0.613) 5.706 5.266 ( -5.129 -4.052 3.835) 7.578 5.313 ( -5.466 -1.695 10.607) 12.052 5.423 ( 1.792 -10.359 -2.544) 10.817 5.501 ( -5.073 1.998 11.290) 12.537 5.573 ( -4.660 -1.880 12.495) 13.468 5.610 ( -2.939 0.928 9.329) 9.825 5.726 ( -4.114 -1.479 4.894) 6.562 5.801 ( -0.401 12.838 -1.503) 12.932 5.906 ( 1.896 -2.280 8.855) 9.338 5.958 ( 2.988 -6.126 5.797) 8.948 6.058 ( -1.632 -5.664 0.023) 5.894 6.296 ( 0.412 4.267 -1.798) 4.648 6.317 ( 2.577 4.282 0.059) 4.998 6.386 ( -0.295 -0.831 -2.034) 2.217 6.414 ( 2.464 -1.602 -1.620) 3.355 6.615 ( 5.131 4.422 -4.853) 8.333 6.646 ( -0.931 4.056 -0.244) 4.169 6.694 ( 5.230 1.722 -6.932) 8.853 6.715 ( 4.340 -0.979 -1.739) 4.776 6.761 ( 2.806 -3.462 -5.326) 6.944 6.839 ( -0.019 -9.159 1.752) 9.325 6.898 ( -7.145 6.095 -4.817) 10.555 6.978 ( -6.001 -1.831 -0.656) 6.308 7.108 ( 0.291 -0.072 -1.087) 1.128 7.127 ( -0.248 -1.581 -2.967) 3.371 7.172 ( 0.864 1.445 0.841) 1.882 7.185 ( 0.569 0.369 2.086) 2.193 7.434 ( -6.384 3.417 3.551) 8.065 7.474 ( -4.173 -1.645 2.742) 5.257 7.594 ( -2.510 1.259 0.419) 2.839 7.611 ( -1.213 -0.696 -0.117) 1.404 7.677 ( 0.213 0.818 -6.897) 6.949 7.682 ( -0.060 0.315 -5.150) 5.160 7.846 ( -2.795 1.177 -1.239) 3.276 7.860 ( -0.172 -1.249 0.777) 1.481 7.988 ( -2.032 7.392 -18.168) 19.719 8.125 ( -7.940 -5.496 -11.184) 14.776 8.278 ( -3.912 6.349 -8.427) 11.253 8.340 ( -3.163 -0.786 -5.882) 6.724 8.997 ( -0.919 0.077 -1.247) 1.551 9.002 ( 0.029 -0.631 -1.797) 1.905 9.065 ( 0.111 1.220 -0.603) 1.365 9.076 ( -0.019 -0.143 0.340) 0.369 9.351 ( -1.121 0.146 -0.687) 1.323 9.356 ( -1.018 -0.366 -0.273) 1.116 9.426 ( -2.574 0.568 -2.491) 3.626 9.429 ( -2.226 0.207 -2.726) 3.525 9.534 ( -1.676 0.654 4.221) 4.588 9.549 ( -1.922 -0.843 5.097) 5.512 9.704 ( 1.970 2.061 2.710) 3.933 9.735 ( 2.599 -1.074 2.852) 4.006 9.998 ( -3.679 4.622 -3.209) 6.723 10.073 ( -4.475 -2.747 -3.166) 6.132 10.247 ( 3.707 1.214 0.725) 3.968 10.280 ( 2.982 -1.930 -0.380) 3.572 10.413 ( 0.205 2.044 -3.787) 4.308 10.445 ( -0.874 -0.940 -4.340) 4.526 10.611 ( 4.351 3.168 0.875) 5.453 10.703 ( 3.574 -5.834 0.098) 6.843 10.877 ( 1.079 2.720 -0.562) 2.979 10.916 ( 2.355 -1.322 0.512) 2.749 11.037 ( 4.091 4.649 14.068) 15.371 11.205 ( 2.481 -13.704 24.884) 28.516 ======================= Grid point 11 (8/68) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 25.292 2.067 15.270) 29.617 1.484 ( 14.978 -20.103 1.270) 25.101 1.523 ( 33.726 8.188 -4.470) 34.992 1.760 ( 27.100 -14.142 -8.744) 31.794 2.267 ( 24.839 24.284 19.105) 39.644 2.363 ( 7.126 16.523 -5.688) 18.871 2.596 ( 8.975 2.221 -4.932) 10.478 2.705 ( 6.068 -7.162 -3.488) 10.014 2.838 ( 1.928 7.398 -0.906) 7.698 2.853 ( 4.862 -5.703 10.150) 12.616 2.920 ( -0.683 -5.775 1.896) 6.117 3.123 ( -2.624 -9.099 -4.849) 10.639 3.192 ( 2.217 4.474 0.116) 4.994 3.223 ( 2.053 -2.325 1.184) 3.320 3.331 ( -0.378 -0.928 1.302) 1.644 3.358 ( -2.943 -2.681 0.850) 4.070 3.418 ( 1.322 0.272 3.885) 4.113 3.455 ( -3.926 -2.920 -1.513) 5.122 3.519 ( 0.062 4.436 -2.051) 4.888 3.649 ( 2.372 -5.247 -1.153) 5.872 3.728 ( -4.410 -0.682 3.642) 5.760 3.756 ( -3.778 -2.354 -2.340) 5.029 3.794 ( 0.280 1.728 0.134) 1.755 3.842 ( 0.565 -3.165 0.390) 3.239 3.858 ( -2.508 -0.818 -3.662) 4.513 3.880 ( 1.456 -2.412 0.297) 2.833 3.959 ( -0.741 1.143 -0.206) 1.378 3.979 ( -1.102 0.996 -0.055) 1.486 4.189 ( 4.591 2.486 -0.829) 5.286 4.213 ( -1.630 1.358 -0.420) 2.163 4.238 ( 3.568 -2.341 -1.601) 4.558 4.278 ( 0.676 -3.900 -2.357) 4.607 4.370 ( -4.172 2.075 -6.991) 8.402 4.395 ( -2.254 2.900 -5.250) 6.407 4.402 ( -2.556 1.652 0.897) 3.173 4.492 ( -0.973 1.698 -2.745) 3.371 4.508 ( -0.423 -0.491 -2.823) 2.897 4.562 ( -2.676 -5.854 3.753) 7.451 4.625 ( 4.886 3.917 2.419) 6.713 4.680 ( -3.580 -1.474 3.595) 5.283 4.773 ( -5.548 3.136 8.919) 10.962 4.801 ( -5.288 0.304 9.378) 10.770 4.866 ( 5.627 3.437 0.373) 6.605 4.916 ( 0.089 0.683 8.005) 8.035 5.143 ( 3.157 7.868 0.566) 8.496 5.219 ( -1.930 0.650 7.272) 7.552 5.287 ( -5.151 -2.024 11.787) 13.021 5.482 ( 3.725 -9.347 3.782) 10.749 5.498 ( -5.255 3.901 12.401) 14.022 5.595 ( -5.930 -5.006 15.150) 17.022 5.637 ( -1.013 1.344 9.164) 9.317 5.723 ( 0.522 -2.281 2.293) 3.276 5.794 ( 0.092 8.561 -0.983) 8.618 5.939 ( -1.532 -1.644 -1.721) 2.830 6.021 ( -3.669 -5.151 3.991) 7.478 6.028 ( -5.481 -5.823 5.760) 9.855 6.257 ( 0.172 4.296 -0.439) 4.321 6.320 ( -3.565 2.124 0.619) 4.195 6.348 ( 0.076 1.442 -1.412) 2.020 6.417 ( -2.342 -1.554 -0.700) 2.896 6.587 ( -3.475 3.629 -4.263) 6.589 6.663 ( 1.158 -2.492 -5.448) 6.102 6.716 ( -5.080 4.690 -4.882) 8.463 6.776 ( 5.066 -0.033 -6.261) 8.054 6.803 ( 7.203 0.761 -8.188) 10.932 6.818 ( 4.693 -0.511 -5.269) 7.074 6.830 ( 2.483 0.350 -1.820) 3.099 6.886 ( 1.271 -3.305 0.587) 3.589 7.099 ( 0.474 -0.122 -1.628) 1.700 7.124 ( 0.045 -1.963 1.298) 2.353 7.184 ( 1.971 2.164 -1.025) 3.101 7.216 ( 2.039 -0.849 -0.408) 2.246 7.364 ( -3.557 2.637 -0.116) 4.430 7.409 ( -4.398 -1.884 1.406) 4.987 7.516 ( -6.392 1.917 1.151) 6.772 7.561 ( -3.675 -2.422 -1.145) 4.547 7.617 ( -1.776 1.237 -7.032) 7.358 7.628 ( -1.189 0.310 -7.923) 8.018 7.711 ( -5.520 4.131 -8.014) 10.572 7.784 ( -8.127 -2.916 -8.190) 11.900 7.929 ( 1.304 0.049 -4.664) 4.844 7.955 ( 1.338 -2.338 -6.498) 7.034 8.203 ( -1.603 3.866 -3.138) 5.231 8.259 ( -2.301 -1.808 -4.009) 4.964 8.984 ( 0.130 0.404 -0.617) 0.749 8.999 ( 0.477 -1.154 -1.212) 1.740 9.066 ( -0.146 0.927 0.397) 1.019 9.077 ( -0.471 -0.194 0.709) 0.873 9.326 ( -1.013 0.198 -0.681) 1.237 9.332 ( -1.147 -0.414 -0.670) 1.392 9.385 ( -0.523 0.528 -1.204) 1.415 9.393 ( -0.255 -0.285 -1.254) 1.311 9.535 ( -1.360 0.476 3.827) 4.089 9.547 ( -1.706 -0.627 3.674) 4.099 9.738 ( -0.527 2.376 2.038) 3.174 9.781 ( -0.394 -1.717 1.919) 2.605 9.952 ( 0.148 1.977 -1.029) 2.234 9.994 ( -1.637 -1.970 -1.719) 3.085 10.311 ( 2.615 0.354 1.115) 2.865 10.325 ( 2.147 -1.023 0.556) 2.442 10.402 ( 0.631 1.340 -2.271) 2.711 10.419 ( 0.166 -0.231 -1.876) 1.897 10.673 ( 2.706 1.868 -1.496) 3.613 10.719 ( 0.055 -2.518 -1.908) 3.160 10.929 ( 3.178 3.232 3.092) 5.487 10.989 ( 4.194 -2.454 2.852) 5.635 11.180 ( 1.544 4.945 10.732) 11.917 11.316 ( -2.883 -8.119 12.844) 15.466 ======================= Grid point 12 (9/68) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 20.505 -4.570 13.086) 24.750 1.810 ( 16.975 -9.631 6.182) 20.472 2.062 ( 26.292 5.515 -0.196) 26.865 2.167 ( 21.972 -5.329 -5.339) 23.231 2.436 ( 6.125 16.079 -5.486) 18.060 2.591 ( 5.428 3.062 0.939) 6.303 2.729 ( 2.739 -0.079 0.651) 2.817 2.785 ( 5.101 -1.099 -0.557) 5.248 2.840 ( 3.086 9.974 -4.557) 11.392 2.894 ( -3.055 -2.428 0.652) 3.956 2.936 ( -4.220 -5.034 2.301) 6.960 3.045 ( -1.235 -4.488 -0.809) 4.725 3.155 ( -5.212 4.027 -5.211) 8.399 3.256 ( -5.593 -3.128 -5.351) 8.349 3.323 ( 0.268 -2.061 2.656) 3.372 3.331 ( 0.616 -0.112 -1.773) 1.881 3.396 ( 6.248 7.824 -0.571) 10.029 3.473 ( -2.893 -2.693 0.617) 4.000 3.507 ( -1.630 -5.313 1.617) 5.788 3.591 ( 3.600 -8.471 -0.752) 9.234 3.692 ( -1.392 2.269 1.717) 3.168 3.746 ( -1.285 -1.094 1.350) 2.161 3.808 ( 2.952 2.977 -0.731) 4.256 3.855 ( 1.217 2.563 -1.975) 3.457 3.895 ( 1.307 0.670 -1.318) 1.974 3.932 ( 3.352 -1.002 -2.125) 4.094 3.983 ( 3.239 0.748 4.156) 5.322 4.034 ( 4.269 -1.468 2.706) 5.263 4.143 ( -5.515 3.398 3.808) 7.514 4.192 ( -6.725 1.077 3.778) 7.788 4.238 ( -1.985 -1.350 3.038) 3.872 4.261 ( -2.752 -5.650 -2.509) 6.766 4.323 ( 6.015 2.892 -3.305) 7.448 4.387 ( 4.463 -1.063 -2.069) 5.033 4.394 ( -0.643 -0.039 -1.372) 1.516 4.428 ( -5.989 -1.388 -0.951) 6.221 4.445 ( -0.023 -1.152 1.994) 2.303 4.524 ( -0.077 -4.215 -0.308) 4.227 4.622 ( -3.995 0.746 2.312) 4.676 4.660 ( -3.337 -2.946 2.588) 5.149 4.712 ( -6.831 2.688 9.472) 11.984 4.728 ( -8.156 0.897 6.700) 10.593 5.006 ( 9.974 2.859 -3.658) 11.001 5.095 ( 6.969 -5.487 6.798) 11.175 5.203 ( 4.005 10.351 3.152) 11.538 5.285 ( -0.395 5.355 6.022) 8.068 5.333 ( 5.416 0.472 5.757) 7.918 5.465 ( -6.514 2.419 7.516) 10.236 5.542 ( -6.677 -2.560 8.288) 10.946 5.565 ( 1.583 -6.324 0.201) 6.522 5.698 ( -0.515 1.273 10.289) 10.380 5.715 ( -5.316 1.878 -0.361) 5.649 5.764 ( -4.024 -0.263 2.887) 4.959 5.870 ( -1.317 -0.210 -7.128) 7.252 5.897 ( -5.734 -2.472 -0.008) 6.244 5.928 ( -4.668 -4.362 -5.728) 8.580 6.276 ( -0.523 1.716 1.720) 2.486 6.297 ( -1.803 -0.007 0.225) 1.817 6.362 ( 2.185 1.633 4.550) 5.305 6.388 ( 0.337 -0.535 -0.427) 0.763 6.464 ( -5.017 5.768 -3.293) 8.324 6.574 ( -7.471 -4.517 -3.545) 9.422 6.617 ( -2.257 3.407 -1.716) 4.432 6.687 ( -1.794 -3.046 -4.290) 5.559 6.894 ( 4.288 0.239 -2.628) 5.035 6.920 ( 6.398 -1.942 -5.058) 8.384 6.961 ( 9.408 0.744 -1.695) 9.589 6.978 ( 8.458 -0.465 -1.824) 8.665 7.110 ( -0.713 0.995 2.825) 3.078 7.122 ( -1.597 0.011 3.079) 3.469 7.240 ( 4.414 1.745 -2.567) 5.397 7.266 ( 4.685 -0.945 -2.657) 5.468 7.302 ( -1.442 0.369 -1.570) 2.163 7.331 ( -4.704 -2.296 0.384) 5.248 7.426 ( -2.497 2.268 -1.127) 3.557 7.479 ( -4.075 -2.594 -3.158) 5.771 7.501 ( -5.010 2.016 -6.236) 8.250 7.525 ( -4.371 -0.239 -5.870) 7.323 7.586 ( -5.883 0.578 -5.034) 7.764 7.597 ( -3.987 -0.129 -3.424) 5.257 7.938 ( 1.385 0.587 -1.193) 1.919 7.966 ( 1.316 -1.996 -1.254) 2.699 8.163 ( -1.116 2.503 -1.218) 2.999 8.202 ( -1.541 -1.354 -2.079) 2.921 8.986 ( 0.297 0.351 -0.197) 0.500 8.997 ( 0.138 -0.757 -0.813) 1.120 9.062 ( -0.594 0.660 0.439) 0.990 9.072 ( -0.433 -0.317 0.563) 0.777 9.308 ( -0.609 0.053 -0.255) 0.662 9.311 ( -0.670 -0.223 -0.508) 0.870 9.386 ( 0.993 0.517 -0.475) 1.216 9.395 ( 0.818 -0.334 -0.646) 1.095 9.538 ( -0.811 0.186 2.250) 2.399 9.542 ( -0.928 -0.247 1.832) 2.068 9.720 ( -1.925 1.532 0.772) 2.578 9.749 ( -2.789 -1.220 0.025) 3.044 9.975 ( 1.636 0.555 0.558) 1.816 9.989 ( 0.757 -0.753 0.076) 1.070 10.352 ( 1.170 -0.142 0.737) 1.390 10.355 ( 0.757 -0.576 0.093) 0.956 10.406 ( 0.978 1.121 -0.588) 1.600 10.417 ( 0.394 -0.005 -0.560) 0.684 10.689 ( 0.535 0.870 -1.769) 2.043 10.707 ( 0.087 -0.894 -0.635) 1.100 11.005 ( 2.550 3.603 2.291) 4.973 11.083 ( 3.758 -3.809 2.066) 5.736 11.247 ( 0.049 3.356 5.221) 6.207 11.324 ( -2.973 -4.063 5.808) 7.687 ======================= Grid point 13 (10/68) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.000 -4.256 0.000) 4.256 2.038 ( 0.000 -6.691 0.000) 6.691 2.348 ( -0.000 1.974 -0.000) 1.974 2.353 ( 0.000 0.885 0.000) 0.885 2.494 ( 0.000 13.842 0.000) 13.842 2.617 ( 0.000 2.050 0.000) 2.050 2.721 ( 0.000 -1.429 0.000) 1.429 2.801 ( 0.000 -8.338 0.000) 8.338 2.835 ( 0.000 1.963 -0.000) 1.963 2.876 ( 0.000 -3.084 0.000) 3.084 2.913 ( 0.000 10.652 0.000) 10.652 3.004 ( 0.000 2.487 0.000) 2.487 3.051 ( 0.000 -0.880 0.000) 0.880 3.187 ( 0.000 -9.382 0.000) 9.382 3.299 ( 0.000 1.601 -0.000) 1.601 3.330 ( 0.000 -2.309 0.000) 2.309 3.403 ( 0.000 -1.478 -0.000) 1.478 3.458 ( 0.000 -5.745 -0.000) 5.745 3.585 ( 0.000 5.332 0.000) 5.332 3.668 ( 0.000 -2.041 0.000) 2.041 3.672 ( -0.000 1.328 -0.000) 1.328 3.746 ( 0.000 -3.082 0.000) 3.082 3.822 ( -0.000 2.606 -0.000) 2.606 3.831 ( 0.000 -2.817 0.000) 2.817 3.926 ( 0.000 8.805 0.000) 8.805 3.937 ( -0.000 1.066 -0.000) 1.066 4.012 ( 0.000 -0.141 -0.000) 0.141 4.076 ( 0.000 2.689 -0.000) 2.689 4.120 ( 0.000 0.668 0.000) 0.668 4.142 ( 0.000 -5.167 0.000) 5.167 4.233 ( 0.000 -1.011 0.000) 1.011 4.254 ( 0.000 -3.978 0.000) 3.978 4.335 ( 0.000 2.725 0.000) 2.725 4.396 ( 0.000 0.401 0.000) 0.401 4.420 ( 0.000 6.862 0.000) 6.862 4.431 ( -0.000 -2.088 -0.000) 2.088 4.459 ( -0.000 -1.255 0.000) 1.255 4.560 ( -0.000 0.569 0.000) 0.569 4.578 ( 0.000 -0.520 -0.000) 0.520 4.589 ( -0.000 -7.897 0.000) 7.897 4.661 ( 0.000 2.182 0.000) 2.182 4.689 ( 0.000 -0.161 -0.000) 0.161 5.115 ( -0.000 -1.579 0.000) 1.579 5.117 ( 0.000 -1.498 -0.000) 1.498 5.279 ( -0.000 6.515 -0.000) 6.515 5.354 ( 0.000 0.430 -0.000) 0.430 5.418 ( 0.000 -1.008 -0.000) 1.008 5.443 ( 0.000 -5.412 0.000) 5.412 5.505 ( 0.000 1.531 0.000) 1.531 5.552 ( 0.000 -1.645 0.000) 1.645 5.606 ( 0.000 5.981 -0.000) 5.981 5.717 ( 0.000 -5.314 0.000) 5.314 5.767 ( 0.000 0.835 0.000) 0.835 5.770 ( 0.000 0.751 0.000) 0.751 5.870 ( 0.000 1.974 -0.000) 1.974 5.884 ( 0.000 0.857 0.000) 0.857 6.273 ( 0.000 0.651 -0.000) 0.651 6.279 ( 0.000 0.697 -0.000) 0.697 6.389 ( 0.000 0.609 0.000) 0.609 6.401 ( 0.000 -0.581 -0.000) 0.581 6.429 ( 0.000 1.485 0.000) 1.485 6.465 ( -0.000 -1.496 0.000) 1.496 6.603 ( 0.000 1.862 0.000) 1.862 6.647 ( 0.000 -2.156 -0.000) 2.156 6.927 ( 0.000 -0.091 0.000) 0.091 6.957 ( 0.000 -2.911 -0.000) 2.911 7.058 ( -0.000 -0.639 0.000) 0.639 7.060 ( 0.000 -0.703 -0.000) 0.703 7.115 ( 0.000 1.113 -0.000) 1.113 7.121 ( 0.000 0.642 0.000) 0.642 7.245 ( 0.000 2.046 0.000) 2.046 7.269 ( 0.000 -0.729 0.000) 0.729 7.327 ( 0.000 -0.288 -0.000) 0.288 7.344 ( 0.000 -1.405 -0.000) 1.405 7.388 ( 0.000 1.045 -0.000) 1.045 7.398 ( 0.000 -0.105 0.000) 0.105 7.416 ( 0.000 2.547 0.000) 2.547 7.468 ( 0.000 -2.581 -0.000) 2.581 7.495 ( 0.000 3.142 -0.000) 3.142 7.547 ( 0.000 -1.751 0.000) 1.751 7.948 ( 0.000 0.586 -0.000) 0.586 7.973 ( 0.000 -1.700 -0.000) 1.700 8.149 ( 0.000 1.985 0.000) 1.985 8.181 ( 0.000 -1.108 -0.000) 1.108 8.989 ( 0.000 0.159 -0.000) 0.159 8.995 ( 0.000 -0.408 0.000) 0.408 9.057 ( 0.000 0.722 0.000) 0.722 9.070 ( 0.000 -0.523 -0.000) 0.523 9.301 ( 0.000 0.024 -0.000) 0.024 9.303 ( 0.000 -0.178 0.000) 0.178 9.398 ( 0.000 0.218 -0.000) 0.218 9.400 ( 0.000 -0.031 0.000) 0.031 9.538 ( 0.000 0.128 -0.000) 0.128 9.541 ( 0.000 -0.146 0.000) 0.146 9.703 ( 0.000 0.806 0.000) 0.806 9.719 ( 0.000 -0.605 -0.000) 0.605 9.995 ( 0.000 0.026 -0.000) 0.026 9.998 ( 0.000 -0.257 0.000) 0.257 10.360 ( 0.000 -0.065 0.000) 0.065 10.364 ( 0.000 -0.454 0.000) 0.454 10.415 ( 0.000 0.646 0.000) 0.646 10.419 ( 0.000 0.243 0.000) 0.243 10.684 ( 0.000 1.148 0.000) 1.148 10.708 ( 0.000 -1.036 0.000) 1.036 11.037 ( 0.000 3.921 0.000) 3.921 11.128 ( 0.000 -4.750 0.000) 4.750 11.265 ( 0.000 2.404 0.000) 2.404 11.313 ( 0.000 -2.245 0.000) 2.245 ======================= Grid point 27 (11/68) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 7.281 0.000 37.374) 38.077 0.736 ( -9.897 0.000 37.680) 38.958 1.093 ( 1.198 0.000 55.687) 55.700 1.721 ( -11.554 0.000 13.763) 17.970 1.983 ( -8.164 0.000 7.039) 10.780 2.113 ( -7.534 0.000 -1.200) 7.629 2.140 ( -10.705 0.000 -6.909) 12.741 2.691 ( 3.589 0.000 -0.933) 3.708 2.747 ( 3.697 0.000 5.527) 6.649 2.940 ( 0.512 0.000 7.545) 7.563 3.039 ( -3.643 0.000 2.873) 4.639 3.118 ( -2.713 0.000 3.284) 4.260 3.149 ( 5.153 0.000 5.424) 7.482 3.243 ( 2.661 0.000 1.354) 2.985 3.316 ( -1.258 0.000 -1.007) 1.611 3.407 ( -1.363 0.000 -1.303) 1.885 3.453 ( 0.454 0.000 -5.867) 5.885 3.537 ( 1.854 0.000 2.122) 2.818 3.576 ( 0.495 0.000 -1.017) 1.131 3.578 ( -0.240 0.000 -0.366) 0.437 3.689 ( 6.062 0.000 0.533) 6.085 3.809 ( 1.150 0.000 0.799) 1.400 3.825 ( 0.984 0.000 0.113) 0.990 3.864 ( -2.736 0.000 -0.572) 2.796 3.867 ( 3.738 0.000 -4.099) 5.547 3.895 ( 0.421 0.000 1.487) 1.546 4.033 ( -5.698 0.000 1.639) 5.929 4.060 ( -3.077 0.000 6.229) 6.947 4.094 ( -0.118 0.000 2.619) 2.621 4.129 ( 1.838 0.000 7.795) 8.009 4.211 ( -1.213 0.000 -5.079) 5.221 4.278 ( -4.937 0.000 -3.755) 6.203 4.333 ( -0.270 0.000 -4.947) 4.955 4.350 ( -1.439 0.000 -6.646) 6.800 4.457 ( 2.820 0.000 -1.080) 3.020 4.515 ( -2.891 0.000 0.233) 2.900 4.562 ( 1.268 0.000 1.960) 2.335 4.573 ( -3.275 0.000 -7.286) 7.988 4.634 ( -4.166 0.000 2.257) 4.738 4.694 ( 2.837 0.000 -2.998) 4.127 4.730 ( 7.264 0.000 2.039) 7.545 4.765 ( -3.825 0.000 4.026) 5.553 4.797 ( 2.616 0.000 1.977) 3.279 4.866 ( 5.901 0.000 -1.207) 6.023 5.096 ( -0.229 0.000 1.222) 1.243 5.270 ( 9.248 0.000 -3.288) 9.815 5.365 ( 8.687 0.000 -5.492) 10.277 5.394 ( 6.548 0.000 0.677) 6.583 5.490 ( 9.171 0.000 -0.396) 9.179 5.537 ( 0.976 0.000 -1.290) 1.617 5.629 ( 16.854 0.000 -3.336) 17.181 5.690 ( 4.337 0.000 -2.048) 4.797 5.818 ( 4.603 0.000 6.602) 8.048 5.946 ( -1.481 0.000 1.425) 2.055 6.038 ( 4.585 0.000 8.117) 9.322 6.053 ( 5.201 0.000 6.318) 8.184 6.199 ( -0.360 0.000 -1.224) 1.276 6.241 ( 3.838 0.000 -2.716) 4.701 6.438 ( -4.182 0.000 3.235) 5.287 6.483 ( -2.613 0.000 4.019) 4.793 6.517 ( -11.281 0.000 2.490) 11.552 6.593 ( -7.679 0.000 -5.600) 9.504 6.674 ( -0.774 0.000 -0.203) 0.801 6.706 ( -2.904 0.000 -7.802) 8.325 6.814 ( -5.922 0.000 -3.953) 7.120 6.902 ( -5.601 0.000 -2.374) 6.083 6.990 ( 7.780 0.000 -2.353) 8.128 7.004 ( 1.416 0.000 1.094) 1.790 7.077 ( -0.903 0.000 0.862) 1.249 7.111 ( 4.435 0.000 -2.928) 5.315 7.154 ( 0.638 0.000 -0.716) 0.959 7.204 ( -0.776 0.000 1.601) 1.779 7.293 ( 0.479 0.000 -0.709) 0.856 7.486 ( 3.081 0.000 -3.989) 5.040 7.556 ( 2.616 0.000 -2.961) 3.951 7.608 ( -11.327 0.000 -2.723) 11.650 7.618 ( 1.241 0.000 -1.293) 1.793 7.683 ( -1.427 0.000 -1.165) 1.842 7.702 ( -8.606 0.000 0.119) 8.607 7.856 ( -1.275 0.000 -1.786) 2.195 7.970 ( -8.000 0.000 0.748) 8.035 8.136 ( 0.209 0.000 -3.251) 3.258 8.253 ( -11.105 0.000 -12.305) 16.575 8.331 ( -2.137 0.000 -3.683) 4.258 9.001 ( 1.568 0.000 -1.968) 2.517 9.017 ( -2.732 0.000 -0.725) 2.826 9.050 ( 1.457 0.000 -2.091) 2.548 9.065 ( -3.689 0.000 -0.551) 3.730 9.360 ( -0.603 0.000 -0.088) 0.610 9.393 ( -2.030 0.000 -0.849) 2.200 9.462 ( -2.533 0.000 2.048) 3.257 9.488 ( -4.764 0.000 1.385) 4.961 9.630 ( -0.217 0.000 7.712) 7.715 9.668 ( 3.112 0.000 3.457) 4.651 9.717 ( 3.209 0.000 1.745) 3.653 9.800 ( -15.447 0.000 0.856) 15.471 9.962 ( -1.527 0.000 0.856) 1.750 10.133 ( -2.521 0.000 -2.354) 3.449 10.182 ( 1.595 0.000 -0.721) 1.750 10.194 ( 7.364 0.000 -0.684) 7.396 10.348 ( -0.301 0.000 -2.842) 2.858 10.438 ( -1.427 0.000 -1.893) 2.370 10.534 ( 1.064 0.000 -0.531) 1.189 10.647 ( 8.033 0.000 -2.752) 8.491 10.794 ( 2.553 0.000 2.149) 3.337 10.912 ( 2.309 0.000 1.041) 2.533 11.053 ( 5.250 0.000 11.808) 12.923 11.498 ( 22.314 0.000 -0.156) 22.314 ======================= Grid point 28 (12/68) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 13.286 0.000 25.842) 29.058 1.248 ( 20.124 0.000 32.573) 38.288 1.701 ( 1.021 0.000 9.142) 9.199 1.779 ( 24.236 0.000 40.689) 47.361 1.929 ( -5.807 0.000 5.130) 7.749 1.989 ( -3.369 0.000 -0.200) 3.375 1.997 ( 5.466 0.000 -6.777) 8.706 2.768 ( 4.404 0.000 1.845) 4.775 2.788 ( -0.816 0.000 -0.537) 0.977 2.981 ( -2.766 0.000 -0.691) 2.851 3.017 ( 2.786 0.000 4.230) 5.066 3.065 ( -3.745 0.000 -0.219) 3.752 3.269 ( -2.617 0.000 -2.443) 3.581 3.286 ( 0.905 0.000 0.978) 1.332 3.328 ( 4.907 0.000 0.906) 4.990 3.373 ( -2.004 0.000 0.691) 2.120 3.391 ( -0.512 0.000 -8.283) 8.299 3.545 ( -2.429 0.000 -2.217) 3.289 3.559 ( -0.715 0.000 4.367) 4.425 3.612 ( 3.392 0.000 2.020) 3.947 3.716 ( 0.471 0.000 -0.829) 0.953 3.798 ( -0.338 0.000 -1.914) 1.943 3.826 ( 0.620 0.000 -1.518) 1.639 3.910 ( -4.271 0.000 -4.418) 6.144 3.924 ( 1.759 0.000 3.091) 3.557 3.956 ( -8.261 0.000 -4.092) 9.218 3.998 ( 3.636 0.000 6.131) 7.128 4.002 ( 2.881 0.000 9.443) 9.873 4.061 ( 2.144 0.000 4.813) 5.269 4.152 ( -1.518 0.000 -4.877) 5.108 4.159 ( 2.167 0.000 -5.306) 5.731 4.247 ( -0.434 0.000 -5.550) 5.567 4.328 ( 1.662 0.000 -6.213) 6.432 4.347 ( 2.278 0.000 6.127) 6.537 4.421 ( -0.710 0.000 -2.971) 3.055 4.462 ( -4.169 0.000 1.121) 4.317 4.504 ( -5.632 0.000 -0.879) 5.701 4.567 ( 5.310 0.000 4.451) 6.928 4.623 ( -0.230 0.000 -0.468) 0.521 4.703 ( 0.776 0.000 3.904) 3.980 4.774 ( -0.564 0.000 0.684) 0.887 4.808 ( 3.285 0.000 3.386) 4.717 4.903 ( 4.129 0.000 3.300) 5.286 4.958 ( 3.815 0.000 1.187) 3.996 5.144 ( 3.338 0.000 2.412) 4.118 5.369 ( 4.511 0.000 -2.846) 5.334 5.384 ( -3.052 0.000 0.115) 3.054 5.458 ( -3.892 0.000 -0.951) 4.006 5.561 ( 6.003 0.000 8.245) 10.199 5.619 ( 2.352 0.000 1.345) 2.709 5.811 ( 5.846 0.000 3.951) 7.056 5.847 ( 2.089 0.000 1.246) 2.433 5.960 ( 2.599 0.000 9.566) 9.913 5.982 ( 4.906 0.000 5.648) 7.481 6.159 ( 1.234 0.000 5.781) 5.911 6.213 ( 4.263 0.000 6.935) 8.140 6.253 ( 5.173 0.000 -0.870) 5.245 6.272 ( -3.845 0.000 3.863) 5.450 6.381 ( 3.173 0.000 -6.430) 7.170 6.394 ( -9.842 0.000 0.119) 9.843 6.454 ( 7.365 0.000 -8.941) 11.584 6.483 ( -0.078 0.000 1.550) 1.552 6.610 ( 0.263 0.000 -9.948) 9.952 6.636 ( -1.764 0.000 -8.022) 8.213 6.656 ( -5.494 0.000 1.485) 5.691 6.707 ( -10.472 0.000 -2.943) 10.878 6.956 ( -5.283 0.000 -2.794) 5.976 6.988 ( -0.372 0.000 -7.737) 7.746 7.109 ( 1.405 0.000 0.048) 1.405 7.127 ( -2.952 0.000 -2.274) 3.726 7.157 ( 0.299 0.000 0.769) 0.825 7.206 ( 0.050 0.000 1.108) 1.109 7.295 ( 0.196 0.000 -2.229) 2.237 7.494 ( 0.452 0.000 -2.422) 2.464 7.497 ( 0.249 0.000 -8.494) 8.498 7.536 ( -6.191 0.000 1.374) 6.341 7.572 ( 0.108 0.000 -3.008) 3.010 7.628 ( 0.397 0.000 -0.764) 0.861 7.642 ( -2.234 0.000 -3.089) 3.812 7.818 ( -2.388 0.000 -7.586) 7.953 7.913 ( -1.060 0.000 -0.497) 1.171 7.949 ( -11.124 0.000 -5.737) 12.516 8.121 ( 0.621 0.000 -3.051) 3.114 8.264 ( -2.087 0.000 -4.017) 4.527 8.983 ( -0.752 0.000 -0.595) 0.958 9.014 ( -1.792 0.000 -0.439) 1.845 9.021 ( 1.944 0.000 -1.542) 2.481 9.062 ( 1.344 0.000 -1.937) 2.357 9.342 ( -1.173 0.000 0.495) 1.273 9.364 ( -1.451 0.000 0.622) 1.579 9.415 ( -3.478 0.000 0.580) 3.526 9.423 ( -2.805 0.000 1.297) 3.090 9.636 ( -3.514 0.000 5.780) 6.764 9.670 ( -5.133 0.000 4.716) 6.971 9.738 ( 1.496 0.000 3.610) 3.908 9.806 ( 3.433 0.000 3.507) 4.907 9.933 ( -1.678 0.000 0.318) 1.708 10.044 ( -3.866 0.000 -2.928) 4.850 10.245 ( 4.644 0.000 -0.100) 4.645 10.280 ( 3.981 0.000 -1.030) 4.112 10.353 ( 1.043 0.000 -0.401) 1.118 10.409 ( -0.589 0.000 -0.889) 1.066 10.567 ( 2.992 0.000 -1.645) 3.414 10.690 ( 2.141 0.000 -5.535) 5.935 10.868 ( 3.406 0.000 2.659) 4.321 10.970 ( 3.370 0.000 2.045) 3.943 11.208 ( 2.771 0.000 9.725) 10.112 11.607 ( -2.311 0.000 -1.474) 2.741 ======================= Grid point 29 (13/68) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 27.256 0.000 12.178) 29.853 1.831 ( 20.558 0.000 26.072) 33.202 1.867 ( 12.399 0.000 2.551) 12.659 1.959 ( 6.307 0.000 5.665) 8.478 1.976 ( 3.875 0.000 2.381) 4.548 2.161 ( 16.886 0.000 -7.365) 18.422 2.407 ( 14.401 0.000 22.131) 26.404 2.759 ( -0.268 0.000 -3.099) 3.111 2.856 ( 2.652 0.000 3.653) 4.514 2.959 ( 3.889 0.000 -7.891) 8.798 3.005 ( -2.879 0.000 1.251) 3.139 3.040 ( -2.714 0.000 -1.669) 3.187 3.153 ( -8.565 0.000 -11.780) 14.564 3.234 ( 2.202 0.000 -0.982) 2.411 3.288 ( -1.496 0.000 -2.417) 2.842 3.318 ( -5.462 0.000 -1.743) 5.734 3.439 ( 5.994 0.000 -7.748) 9.796 3.462 ( -4.162 0.000 0.677) 4.217 3.579 ( -0.442 0.000 1.357) 1.427 3.647 ( -1.511 0.000 -4.119) 4.388 3.750 ( 0.453 0.000 2.153) 2.201 3.758 ( -4.077 0.000 -3.564) 5.415 3.794 ( -0.975 0.000 3.978) 4.095 3.875 ( -0.427 0.000 4.593) 4.612 3.888 ( 0.204 0.000 3.925) 3.930 3.923 ( -3.226 0.000 -2.286) 3.953 3.945 ( -0.371 0.000 2.681) 2.706 4.084 ( -0.281 0.000 1.930) 1.950 4.094 ( 1.062 0.000 -6.791) 6.873 4.120 ( 2.021 0.000 -4.065) 4.540 4.204 ( 1.011 0.000 -4.034) 4.159 4.238 ( -4.378 0.000 -5.871) 7.324 4.315 ( 0.900 0.000 -5.367) 5.442 4.396 ( 11.081 0.000 9.096) 14.336 4.431 ( -1.900 0.000 3.021) 3.569 4.439 ( -3.056 0.000 2.522) 3.962 4.471 ( 3.195 0.000 0.488) 3.233 4.639 ( 3.709 0.000 -1.132) 3.878 4.704 ( 1.446 0.000 4.062) 4.311 4.745 ( -2.949 0.000 3.128) 4.299 4.806 ( 0.825 0.000 9.589) 9.624 4.863 ( 1.370 0.000 3.031) 3.326 4.938 ( -3.215 0.000 4.767) 5.750 5.048 ( 4.626 0.000 8.213) 9.426 5.250 ( 6.106 0.000 5.666) 8.329 5.311 ( -4.034 0.000 2.908) 4.973 5.373 ( -0.756 0.000 -7.042) 7.083 5.417 ( -0.372 0.000 -1.352) 1.402 5.640 ( 0.429 0.000 0.566) 0.711 5.657 ( -7.401 0.000 8.269) 11.098 5.800 ( 0.373 0.000 0.024) 0.374 5.888 ( -2.719 0.000 6.522) 7.066 5.965 ( -9.627 0.000 6.975) 11.888 5.979 ( -8.297 0.000 2.441) 8.648 6.079 ( -12.716 0.000 5.067) 13.689 6.232 ( -10.522 0.000 4.592) 11.481 6.267 ( -1.408 0.000 -4.263) 4.490 6.277 ( -1.370 0.000 -1.838) 2.292 6.320 ( 3.533 0.000 -4.043) 5.370 6.381 ( 2.376 0.000 8.037) 8.381 6.465 ( -3.028 0.000 -4.501) 5.425 6.534 ( 4.830 0.000 -3.668) 6.065 6.592 ( 11.903 0.000 -8.229) 14.471 6.634 ( 4.768 0.000 -4.031) 6.244 6.677 ( 8.560 0.000 -1.137) 8.635 6.776 ( 12.082 0.000 1.082) 12.130 6.788 ( -9.212 0.000 -2.874) 9.650 6.923 ( -0.712 0.000 -4.238) 4.298 7.088 ( 0.401 0.000 0.931) 1.014 7.116 ( 1.409 0.000 -2.210) 2.621 7.174 ( 0.350 0.000 1.129) 1.182 7.222 ( 1.260 0.000 -0.371) 1.313 7.264 ( -1.146 0.000 -2.715) 2.946 7.403 ( -1.915 0.000 -2.846) 3.430 7.462 ( -2.060 0.000 -6.380) 6.704 7.515 ( -4.026 0.000 -3.267) 5.185 7.517 ( -0.594 0.000 -1.049) 1.206 7.522 ( -11.364 0.000 -6.560) 13.121 7.597 ( -2.540 0.000 -5.973) 6.491 7.618 ( -0.972 0.000 -0.755) 1.231 7.892 ( 1.500 0.000 -0.428) 1.560 7.942 ( 1.825 0.000 0.732) 1.966 8.114 ( 0.671 0.000 -2.164) 2.265 8.205 ( -1.491 0.000 -3.240) 3.566 8.976 ( 0.248 0.000 -0.461) 0.523 8.990 ( -0.335 0.000 -1.223) 1.268 9.042 ( 1.327 0.000 -1.400) 1.929 9.066 ( 0.551 0.000 -1.904) 1.982 9.331 ( -0.935 0.000 1.613) 1.864 9.343 ( -1.653 0.000 1.260) 2.079 9.378 ( -1.000 0.000 0.630) 1.182 9.397 ( -0.930 0.000 0.968) 1.342 9.610 ( -3.045 0.000 3.664) 4.764 9.622 ( -3.917 0.000 3.265) 5.100 9.756 ( -1.817 0.000 2.227) 2.874 9.827 ( -3.355 0.000 1.191) 3.560 9.945 ( 2.366 0.000 1.742) 2.938 9.994 ( -0.246 0.000 -0.343) 0.422 10.317 ( 3.512 0.000 -0.744) 3.590 10.333 ( 2.745 0.000 -0.960) 2.908 10.360 ( 0.038 0.000 -0.089) 0.097 10.405 ( 0.327 0.000 -0.184) 0.375 10.603 ( 2.886 0.000 -3.364) 4.432 10.685 ( 1.469 0.000 -3.635) 3.920 10.939 ( 2.816 0.000 1.058) 3.009 11.051 ( 4.299 0.000 0.383) 4.317 11.277 ( -0.794 0.000 5.137) 5.198 11.520 ( -6.008 0.000 -0.010) 6.008 ======================= Grid point 30 (14/68) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 24.177 0.000 7.631) 25.352 2.078 ( 6.970 0.000 3.924) 7.999 2.142 ( 8.290 0.000 3.667) 9.065 2.176 ( 15.796 0.000 0.735) 15.813 2.301 ( 10.655 0.000 16.289) 19.465 2.458 ( 21.396 0.000 -8.039) 22.856 2.557 ( -3.061 0.000 3.439) 4.604 2.728 ( -0.913 0.000 -5.197) 5.276 2.901 ( -0.028 0.000 1.416) 1.416 2.914 ( -6.916 0.000 -4.189) 8.086 2.937 ( -2.403 0.000 -2.429) 3.417 2.945 ( -2.964 0.000 -6.608) 7.243 3.024 ( 6.885 0.000 -8.170) 10.684 3.165 ( -4.241 0.000 -7.491) 8.608 3.270 ( 3.025 0.000 -3.300) 4.477 3.326 ( 1.371 0.000 -3.287) 3.562 3.387 ( -5.916 0.000 0.912) 5.986 3.471 ( 6.179 0.000 -12.079) 13.568 3.540 ( -1.309 0.000 -2.553) 2.869 3.583 ( -0.538 0.000 -2.185) 2.250 3.747 ( -1.332 0.000 5.471) 5.631 3.756 ( -0.965 0.000 3.734) 3.857 3.820 ( -3.308 0.000 -4.389) 5.496 3.857 ( 2.405 0.000 4.712) 5.290 3.872 ( -3.870 0.000 3.208) 5.027 3.954 ( 2.788 0.000 5.566) 6.226 3.962 ( 1.568 0.000 -0.447) 1.631 4.027 ( -3.461 0.000 -0.894) 3.575 4.107 ( -2.067 0.000 -9.112) 9.343 4.114 ( 7.618 0.000 -9.959) 12.539 4.205 ( 3.639 0.000 2.564) 4.452 4.236 ( 3.853 0.000 5.651) 6.840 4.275 ( -0.373 0.000 -5.378) 5.391 4.395 ( -1.771 0.000 3.052) 3.529 4.442 ( 1.246 0.000 -1.593) 2.022 4.522 ( 2.049 0.000 -0.290) 2.070 4.554 ( -3.714 0.000 -2.802) 4.653 4.597 ( -10.437 0.000 5.485) 11.791 4.694 ( -2.910 0.000 1.220) 3.155 4.712 ( 2.923 0.000 4.973) 5.769 4.766 ( -15.985 0.000 8.179) 17.956 4.867 ( -8.079 0.000 5.254) 9.637 5.002 ( 9.683 0.000 8.889) 13.144 5.188 ( 3.875 0.000 0.805) 3.958 5.225 ( -7.637 0.000 -9.402) 12.113 5.355 ( 4.835 0.000 3.907) 6.216 5.391 ( -1.974 0.000 -0.146) 1.980 5.416 ( 6.711 0.000 1.976) 6.996 5.541 ( -1.553 0.000 -1.221) 1.975 5.637 ( -11.964 0.000 -4.912) 12.933 5.698 ( -4.721 0.000 -6.133) 7.740 5.776 ( -7.637 0.000 -7.337) 10.590 5.783 ( -13.242 0.000 10.816) 17.098 5.942 ( 1.204 0.000 13.777) 13.830 5.961 ( -3.797 0.000 5.787) 6.921 6.012 ( -13.638 0.000 7.722) 15.672 6.234 ( 0.431 0.000 -1.298) 1.367 6.274 ( 0.097 0.000 -0.224) 0.244 6.351 ( 0.769 0.000 -2.177) 2.309 6.422 ( -0.885 0.000 2.419) 2.576 6.445 ( -0.421 0.000 2.301) 2.340 6.569 ( -8.649 0.000 -0.882) 8.694 6.606 ( -1.668 0.000 -0.710) 1.812 6.671 ( 4.489 0.000 2.371) 5.076 6.769 ( 12.404 0.000 -9.814) 15.816 6.822 ( 7.539 0.000 -5.495) 9.329 6.956 ( 6.453 0.000 -2.115) 6.791 7.018 ( 7.855 0.000 4.454) 9.030 7.147 ( 4.197 0.000 -5.504) 6.922 7.155 ( 2.898 0.000 5.085) 5.853 7.203 ( 2.503 0.000 6.051) 6.548 7.229 ( 1.897 0.000 -2.890) 3.457 7.240 ( 0.139 0.000 -0.305) 0.336 7.307 ( -3.440 0.000 -5.083) 6.138 7.383 ( 0.447 0.000 -0.405) 0.603 7.407 ( -0.512 0.000 -1.996) 2.061 7.451 ( -3.071 0.000 1.124) 3.271 7.484 ( -2.685 0.000 0.464) 2.725 7.546 ( -1.734 0.000 1.083) 2.045 7.584 ( -2.084 0.000 -0.596) 2.168 7.922 ( 1.964 0.000 -0.206) 1.975 7.975 ( 1.431 0.000 -0.174) 1.441 8.111 ( 0.328 0.000 -1.741) 1.771 8.174 ( 0.301 0.000 -1.884) 1.908 8.980 ( 0.256 0.000 -0.715) 0.759 8.985 ( 0.849 0.000 -0.804) 1.169 9.043 ( -0.076 0.000 -1.417) 1.419 9.058 ( 0.372 0.000 -2.071) 2.104 9.325 ( -1.414 0.000 1.629) 2.157 9.330 ( -0.813 0.000 2.449) 2.581 9.386 ( 1.100 0.000 0.725) 1.317 9.401 ( 0.326 0.000 0.969) 1.022 9.574 ( -3.021 0.000 1.336) 3.303 9.581 ( -2.707 0.000 2.003) 3.368 9.724 ( -2.419 0.000 1.008) 2.621 9.761 ( -3.674 0.000 0.244) 3.682 9.993 ( 1.176 0.000 1.408) 1.835 10.004 ( 0.350 0.000 0.720) 0.801 10.351 ( 1.200 0.000 -1.600) 2.000 10.362 ( 0.250 0.000 0.457) 0.521 10.368 ( 2.318 0.000 -2.077) 3.112 10.410 ( 0.333 0.000 0.010) 0.333 10.625 ( 2.404 0.000 -3.095) 3.919 10.694 ( 1.714 0.000 -2.136) 2.738 10.973 ( 1.099 0.000 -1.755) 2.071 11.112 ( 3.416 0.000 -3.444) 4.851 11.262 ( -2.801 0.000 0.527) 2.851 11.406 ( -6.047 0.000 -1.566) 6.246 ======================= Grid point 31 (15/68) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -14.039 0.000 -9.671) 17.048 2.131 ( -5.678 0.000 -0.040) 5.678 2.292 ( -5.894 0.000 7.008) 9.157 2.359 ( -9.556 0.000 5.139) 10.850 2.388 ( 9.235 0.000 4.487) 10.267 2.577 ( 5.527 0.000 -2.037) 5.890 2.700 ( 5.100 0.000 -3.960) 6.457 2.720 ( 8.345 0.000 -2.842) 8.815 2.817 ( -3.626 0.000 -1.436) 3.900 2.917 ( 9.887 0.000 1.786) 10.047 2.963 ( 2.525 0.000 0.958) 2.701 2.983 ( -2.005 0.000 -5.461) 5.817 2.983 ( 4.653 0.000 -2.159) 5.129 3.140 ( -1.593 0.000 -7.580) 7.746 3.248 ( 6.667 0.000 -4.282) 7.924 3.348 ( 0.089 0.000 -3.800) 3.801 3.368 ( 6.955 0.000 -0.873) 7.010 3.507 ( 1.883 0.000 -7.716) 7.943 3.552 ( 8.112 0.000 -7.525) 11.065 3.566 ( 2.576 0.000 -0.266) 2.589 3.655 ( -5.853 0.000 -5.124) 7.779 3.728 ( -3.321 0.000 4.306) 5.438 3.763 ( -4.651 0.000 -0.257) 4.658 3.890 ( 2.015 0.000 6.088) 6.412 3.921 ( -6.416 0.000 1.577) 6.607 3.923 ( -3.462 0.000 -8.320) 9.011 3.943 ( 5.928 0.000 -3.285) 6.777 4.034 ( 3.290 0.000 0.504) 3.328 4.106 ( 9.029 0.000 -4.536) 10.105 4.225 ( 1.731 0.000 -5.413) 5.683 4.236 ( 11.258 0.000 -7.301) 13.419 4.276 ( -2.523 0.000 7.373) 7.793 4.306 ( -5.229 0.000 7.064) 8.789 4.392 ( -6.706 0.000 2.377) 7.115 4.394 ( -15.036 0.000 8.171) 17.113 4.446 ( 0.581 0.000 -7.641) 7.663 4.484 ( -4.911 0.000 3.586) 6.081 4.503 ( -0.913 0.000 2.058) 2.251 4.565 ( 0.621 0.000 3.051) 3.113 4.675 ( -1.739 0.000 2.167) 2.778 4.726 ( -3.366 0.000 -1.749) 3.793 4.762 ( -4.601 0.000 3.470) 5.763 5.044 ( -5.301 0.000 -8.010) 9.605 5.091 ( -20.054 0.000 -11.367) 23.052 5.153 ( 2.687 0.000 -6.908) 7.412 5.344 ( -4.944 0.000 11.677) 12.680 5.385 ( 4.340 0.000 1.892) 4.735 5.406 ( -2.877 0.000 -10.244) 10.640 5.434 ( -6.411 0.000 -1.323) 6.546 5.552 ( 2.100 0.000 -6.404) 6.739 5.572 ( 0.709 0.000 -7.845) 7.877 5.593 ( -6.154 0.000 -2.805) 6.763 5.805 ( 0.099 0.000 8.622) 8.623 5.885 ( -5.624 0.000 4.058) 6.935 6.034 ( 4.368 0.000 11.469) 12.273 6.063 ( -0.891 0.000 15.633) 15.658 6.225 ( -0.696 0.000 -2.089) 2.202 6.273 ( 0.995 0.000 0.735) 1.237 6.314 ( -2.168 0.000 -6.331) 6.692 6.417 ( -0.366 0.000 1.220) 1.273 6.430 ( -3.183 0.000 1.797) 3.655 6.535 ( 4.626 0.000 4.204) 6.251 6.565 ( 0.034 0.000 1.848) 1.848 6.748 ( 1.202 0.000 4.390) 4.552 6.892 ( 3.167 0.000 -4.030) 5.125 6.903 ( 8.552 0.000 -6.580) 10.790 7.019 ( 3.857 0.000 -2.295) 4.488 7.063 ( -2.325 0.000 0.460) 2.370 7.144 ( -2.287 0.000 1.164) 2.566 7.165 ( -5.739 0.000 3.537) 6.742 7.252 ( 1.106 0.000 -4.867) 4.991 7.254 ( 0.910 0.000 1.925) 2.129 7.349 ( 7.546 0.000 2.960) 8.106 7.361 ( 3.768 0.000 1.183) 3.950 7.392 ( -0.889 0.000 2.888) 3.022 7.418 ( 2.083 0.000 3.120) 3.752 7.451 ( 1.157 0.000 3.811) 3.982 7.515 ( 7.975 0.000 6.161) 10.078 7.556 ( 0.158 0.000 0.401) 0.431 7.577 ( 2.382 0.000 5.444) 5.942 7.955 ( 1.434 0.000 0.765) 1.625 7.993 ( 1.119 0.000 0.011) 1.119 8.106 ( 0.896 0.000 -1.735) 1.953 8.195 ( 2.536 0.000 0.397) 2.567 8.981 ( 0.371 0.000 -0.462) 0.592 9.004 ( 1.420 0.000 0.358) 1.464 9.030 ( 0.147 0.000 -1.668) 1.675 9.048 ( 0.250 0.000 -2.402) 2.415 9.317 ( -0.687 0.000 1.663) 1.800 9.336 ( -0.614 0.000 2.802) 2.868 9.410 ( -0.480 0.000 1.461) 1.538 9.414 ( 0.866 0.000 1.196) 1.476 9.532 ( -2.074 0.000 -0.122) 2.078 9.547 ( -1.935 0.000 0.266) 1.953 9.691 ( -1.443 0.000 -0.377) 1.491 9.731 ( 0.487 0.000 0.349) 0.599 9.998 ( -1.338 0.000 0.604) 1.468 10.008 ( -0.294 0.000 0.766) 0.820 10.344 ( -0.082 0.000 -2.675) 2.676 10.377 ( 0.766 0.000 1.445) 1.636 10.379 ( 0.705 0.000 -2.473) 2.571 10.418 ( 0.331 0.000 0.511) 0.609 10.653 ( 2.880 0.000 -1.906) 3.454 10.710 ( 1.120 0.000 -0.968) 1.480 10.951 ( -1.026 0.000 -4.630) 4.743 11.111 ( 0.509 0.000 -7.859) 7.876 11.194 ( -3.455 0.000 -3.607) 4.994 11.291 ( -4.279 0.000 -4.508) 6.215 ======================= Grid point 32 (16/68) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -25.319 0.000 -10.793) 27.524 1.799 ( -26.108 0.000 -9.802) 27.887 2.187 ( -8.362 0.000 8.242) 11.741 2.209 ( -10.353 0.000 8.736) 13.547 2.411 ( -12.303 0.000 10.724) 16.321 2.478 ( -17.597 0.000 0.648) 17.609 2.731 ( 2.439 0.000 -3.577) 4.330 2.767 ( -5.389 0.000 2.328) 5.871 2.777 ( -4.061 0.000 -1.153) 4.221 2.974 ( -0.107 0.000 -8.793) 8.793 2.997 ( 0.455 0.000 2.564) 2.604 3.012 ( 5.757 0.000 1.146) 5.870 3.125 ( 4.116 0.000 -3.146) 5.181 3.153 ( 12.363 0.000 -0.999) 12.403 3.259 ( 2.550 0.000 -5.929) 6.454 3.308 ( -4.658 0.000 -3.447) 5.794 3.420 ( 3.574 0.000 2.543) 4.387 3.464 ( -6.778 0.000 -7.872) 10.388 3.531 ( -2.181 0.000 -2.275) 3.152 3.619 ( 8.816 0.000 -4.924) 10.098 3.726 ( 3.537 0.000 0.654) 3.597 3.746 ( 8.386 0.000 -6.553) 10.642 3.773 ( 3.481 0.000 4.158) 5.423 3.848 ( -1.806 0.000 0.606) 1.905 3.905 ( 9.699 0.000 -4.005) 10.494 3.959 ( -1.098 0.000 6.509) 6.601 3.983 ( -6.225 0.000 5.556) 8.344 4.062 ( -2.140 0.000 -1.213) 2.460 4.164 ( -4.349 0.000 5.470) 6.988 4.165 ( 5.712 0.000 0.164) 5.715 4.259 ( 4.129 0.000 -0.480) 4.157 4.283 ( 0.062 0.000 -3.864) 3.865 4.359 ( -1.195 0.000 -5.320) 5.452 4.385 ( 6.235 0.000 -0.447) 6.251 4.409 ( 2.553 0.000 0.238) 2.564 4.426 ( 2.063 0.000 -2.185) 3.005 4.467 ( 1.694 0.000 -0.802) 1.874 4.480 ( 2.439 0.000 1.881) 3.080 4.562 ( 3.950 0.000 -2.179) 4.511 4.622 ( -4.870 0.000 -3.245) 5.852 4.627 ( -1.696 0.000 -2.571) 3.080 4.670 ( -11.906 0.000 -12.579) 17.320 4.729 ( -6.923 0.000 6.339) 9.387 4.951 ( -1.463 0.000 -3.489) 3.783 5.120 ( 1.727 0.000 -11.790) 11.916 5.175 ( -12.931 0.000 4.695) 13.757 5.225 ( -9.997 0.000 -4.946) 11.153 5.302 ( -0.392 0.000 -10.532) 10.539 5.439 ( -4.282 0.000 -7.004) 8.209 5.506 ( 3.849 0.000 -9.727) 10.460 5.553 ( -1.490 0.000 -5.020) 5.237 5.641 ( 2.533 0.000 7.911) 8.307 5.875 ( 4.767 0.000 0.364) 4.780 5.894 ( 3.714 0.000 6.366) 7.370 6.092 ( -1.515 0.000 -2.328) 2.778 6.095 ( -4.220 0.000 5.411) 6.862 6.171 ( -5.205 0.000 0.520) 5.231 6.212 ( -4.565 0.000 -3.122) 5.530 6.367 ( 6.959 0.000 6.495) 9.519 6.439 ( 1.277 0.000 2.458) 2.770 6.503 ( 7.412 0.000 6.135) 9.621 6.630 ( 2.842 0.000 4.442) 5.273 6.681 ( 8.304 0.000 1.521) 8.442 6.790 ( 1.034 0.000 2.848) 3.030 6.894 ( -0.209 0.000 -0.512) 0.553 6.938 ( -3.303 0.000 -0.520) 3.344 7.005 ( -7.800 0.000 2.704) 8.255 7.007 ( -2.595 0.000 -0.789) 2.712 7.110 ( -1.702 0.000 2.124) 2.722 7.112 ( 0.355 0.000 1.196) 1.247 7.249 ( -3.285 0.000 0.868) 3.397 7.294 ( 5.708 0.000 -3.017) 6.456 7.318 ( -3.148 0.000 0.439) 3.179 7.383 ( 0.655 0.000 2.173) 2.270 7.409 ( -1.757 0.000 1.820) 2.529 7.538 ( 3.186 0.000 -2.173) 3.856 7.576 ( 8.990 0.000 5.506) 10.542 7.656 ( 5.786 0.000 7.340) 9.346 7.663 ( 2.237 0.000 5.103) 5.571 7.733 ( 9.610 0.000 6.750) 11.744 7.979 ( 0.210 0.000 2.612) 2.620 8.044 ( 4.401 0.000 3.121) 5.396 8.122 ( 1.914 0.000 -1.189) 2.253 8.264 ( 3.857 0.000 2.576) 4.638 8.988 ( 0.457 0.000 0.798) 0.919 9.024 ( 0.382 0.000 -2.310) 2.341 9.037 ( 0.757 0.000 -2.580) 2.689 9.039 ( 1.574 0.000 1.953) 2.508 9.324 ( 0.238 0.000 1.520) 1.539 9.348 ( -0.207 0.000 2.455) 2.464 9.409 ( -0.794 0.000 2.437) 2.563 9.427 ( -0.376 0.000 2.133) 2.166 9.503 ( -0.814 0.000 -0.313) 0.872 9.519 ( -0.884 0.000 -0.822) 1.207 9.677 ( 0.396 0.000 -1.463) 1.516 9.762 ( 1.951 0.000 -0.558) 2.030 9.971 ( -1.949 0.000 1.185) 2.282 10.010 ( 0.282 0.000 1.403) 1.431 10.317 ( -0.743 0.000 -2.635) 2.738 10.360 ( -0.892 0.000 -1.929) 2.126 10.410 ( 1.280 0.000 2.675) 2.965 10.428 ( 0.051 0.000 1.340) 1.341 10.702 ( 3.844 0.000 -1.252) 4.043 10.713 ( -0.785 0.000 0.300) 0.841 10.878 ( -2.427 0.000 -6.427) 6.870 11.022 ( -2.584 0.000 -10.090) 10.416 11.091 ( -4.008 0.000 -6.701) 7.808 11.190 ( -1.898 0.000 -10.452) 10.623 ======================= Grid point 33 (17/68) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -28.992 0.000 -2.907) 29.138 1.170 ( -33.352 0.000 -12.534) 35.629 1.972 ( -43.114 0.000 18.624) 46.965 2.099 ( -13.413 0.000 12.804) 18.544 2.145 ( -6.054 0.000 13.358) 14.666 2.241 ( -10.668 0.000 12.181) 16.192 2.576 ( -15.126 0.000 1.497) 15.200 2.703 ( -1.275 0.000 -4.732) 4.901 2.727 ( 0.093 0.000 -4.313) 4.314 2.912 ( -1.864 0.000 -3.290) 3.781 3.021 ( 1.211 0.000 1.313) 1.786 3.086 ( 1.659 0.000 -1.407) 2.175 3.171 ( 0.314 0.000 -6.992) 6.999 3.228 ( 6.386 0.000 5.613) 8.502 3.248 ( -4.350 0.000 -5.207) 6.785 3.325 ( 6.190 0.000 0.301) 6.197 3.464 ( 5.887 0.000 2.906) 6.566 3.472 ( -0.341 0.000 -2.319) 2.344 3.518 ( 4.869 0.000 -2.516) 5.480 3.658 ( -4.256 0.000 -2.506) 4.939 3.696 ( -1.502 0.000 -7.694) 7.839 3.798 ( -4.077 0.000 4.281) 5.912 3.840 ( 2.622 0.000 0.701) 2.714 3.860 ( 1.944 0.000 2.534) 3.194 3.906 ( -6.737 0.000 4.023) 7.847 3.917 ( 0.435 0.000 1.520) 1.582 4.009 ( 0.395 0.000 4.894) 4.910 4.078 ( -7.442 0.000 -3.549) 8.245 4.084 ( -0.204 0.000 -2.269) 2.278 4.245 ( -2.847 0.000 4.455) 5.287 4.263 ( 3.162 0.000 -1.377) 3.449 4.275 ( 4.263 0.000 -9.005) 9.963 4.329 ( 0.709 0.000 0.347) 0.789 4.418 ( 0.486 0.000 1.646) 1.716 4.430 ( 4.568 0.000 -1.680) 4.867 4.490 ( 1.892 0.000 2.108) 2.833 4.533 ( 5.227 0.000 -1.329) 5.394 4.576 ( 6.146 0.000 -8.895) 10.812 4.593 ( -0.431 0.000 -4.081) 4.104 4.605 ( 9.109 0.000 -2.104) 9.349 4.650 ( -0.304 0.000 3.967) 3.979 4.662 ( 9.581 0.000 0.482) 9.593 4.723 ( 2.987 0.000 5.629) 6.372 4.930 ( 5.713 0.000 -8.213) 10.005 4.972 ( -9.029 0.000 -2.536) 9.379 5.061 ( 2.221 0.000 -10.567) 10.798 5.117 ( 3.160 0.000 -5.326) 6.193 5.219 ( -0.850 0.000 -9.282) 9.321 5.351 ( 2.260 0.000 -11.823) 12.037 5.455 ( -2.693 0.000 -6.241) 6.798 5.491 ( 3.645 0.000 -10.745) 11.347 5.693 ( -1.991 0.000 7.929) 8.175 5.887 ( -7.273 0.000 3.624) 8.126 5.970 ( 1.457 0.000 -6.245) 6.412 6.010 ( -3.705 0.000 -6.393) 7.389 6.072 ( -0.910 0.000 8.534) 8.582 6.128 ( -0.825 0.000 -1.287) 1.529 6.194 ( 5.150 0.000 2.209) 5.603 6.478 ( 0.469 0.000 2.958) 2.995 6.505 ( 2.031 0.000 5.358) 5.730 6.667 ( -0.572 0.000 0.991) 1.144 6.685 ( 7.960 0.000 2.541) 8.356 6.811 ( -3.806 0.000 3.402) 5.105 6.821 ( 5.189 0.000 -2.478) 5.750 6.849 ( -3.350 0.000 2.825) 4.382 6.870 ( -8.322 0.000 5.749) 10.114 6.909 ( 1.610 0.000 1.968) 2.542 6.934 ( -6.050 0.000 3.665) 7.074 7.118 ( 0.859 0.000 0.249) 0.894 7.133 ( 0.886 0.000 -0.649) 1.098 7.181 ( -4.098 0.000 0.962) 4.209 7.246 ( -4.184 0.000 2.295) 4.772 7.377 ( -3.049 0.000 1.019) 3.214 7.411 ( 8.319 0.000 -5.008) 9.710 7.421 ( 2.060 0.000 0.435) 2.106 7.574 ( 2.788 0.000 -2.430) 3.699 7.693 ( -0.148 0.000 2.637) 2.641 7.743 ( 4.778 0.000 1.322) 4.957 7.774 ( 1.833 0.000 5.801) 6.083 7.878 ( 2.250 0.000 1.720) 2.832 8.040 ( 4.896 0.000 3.292) 5.900 8.147 ( 1.578 0.000 -1.328) 2.062 8.216 ( 9.906 0.000 8.397) 12.986 8.347 ( 2.666 0.000 2.578) 3.709 9.008 ( 0.189 0.000 -2.916) 2.922 9.015 ( 1.155 0.000 3.018) 3.231 9.039 ( 1.181 0.000 -2.556) 2.816 9.086 ( 1.579 0.000 3.757) 4.075 9.350 ( 1.185 0.000 2.192) 2.492 9.361 ( 0.334 0.000 1.723) 1.755 9.427 ( 0.445 0.000 3.303) 3.332 9.450 ( 0.808 0.000 4.390) 4.464 9.506 ( 0.294 0.000 -0.350) 0.458 9.517 ( 1.375 0.000 4.144) 4.366 9.666 ( -0.630 0.000 -2.071) 2.164 9.755 ( -1.668 0.000 -2.287) 2.830 9.960 ( -0.625 0.000 2.204) 2.291 10.058 ( 3.378 0.000 2.374) 4.129 10.278 ( -2.136 0.000 -1.772) 2.776 10.337 ( -0.310 0.000 0.180) 0.358 10.433 ( -0.812 0.000 1.367) 1.590 10.459 ( 1.627 0.000 2.983) 3.398 10.660 ( -4.850 0.000 -1.480) 5.071 10.771 ( 4.560 0.000 -1.234) 4.724 10.791 ( -1.974 0.000 -5.654) 5.989 10.907 ( -1.181 0.000 -16.809) 16.850 10.968 ( -4.062 0.000 -6.018) 7.260 11.052 ( -4.182 0.000 -10.704) 11.492 ======================= Grid point 34 (18/68) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -21.700 0.000 17.238) 27.713 0.653 ( -22.767 0.000 18.905) 29.593 1.338 ( -47.064 0.000 36.404) 59.500 1.890 ( -18.399 0.000 16.000) 24.383 2.109 ( -10.867 0.000 12.608) 16.645 2.208 ( -4.263 0.000 5.853) 7.241 2.350 ( -7.992 0.000 -5.185) 9.526 2.667 ( 1.051 0.000 -4.234) 4.363 2.685 ( -2.001 0.000 1.923) 2.776 2.886 ( -1.381 0.000 6.739) 6.879 3.053 ( 0.638 0.000 1.233) 1.388 3.099 ( -0.199 0.000 4.565) 4.569 3.125 ( -2.691 0.000 -0.529) 2.743 3.199 ( 1.913 0.000 -1.593) 2.489 3.344 ( -0.327 0.000 4.895) 4.906 3.423 ( 1.568 0.000 -0.744) 1.736 3.452 ( 3.144 0.000 -5.200) 6.076 3.498 ( 0.208 0.000 -1.574) 1.588 3.552 ( 1.372 0.000 0.160) 1.381 3.592 ( -1.106 0.000 0.393) 1.173 3.630 ( 0.909 0.000 -4.493) 4.584 3.771 ( 0.330 0.000 2.274) 2.298 3.833 ( -1.566 0.000 -1.127) 1.930 3.888 ( -0.527 0.000 3.726) 3.763 3.900 ( -0.334 0.000 -7.883) 7.890 3.938 ( -3.991 0.000 -4.070) 5.700 3.938 ( 3.743 0.000 6.093) 7.151 4.057 ( -1.247 0.000 7.062) 7.171 4.085 ( 2.441 0.000 0.894) 2.599 4.179 ( -7.161 0.000 3.192) 7.840 4.257 ( -1.926 0.000 -0.846) 2.103 4.310 ( 2.633 0.000 2.023) 3.320 4.328 ( 1.081 0.000 -0.536) 1.206 4.433 ( -0.959 0.000 -3.825) 3.943 4.486 ( -6.475 0.000 -3.559) 7.389 4.523 ( 1.195 0.000 1.931) 2.271 4.554 ( 5.960 0.000 0.126) 5.961 4.627 ( 2.530 0.000 -3.856) 4.612 4.628 ( -3.229 0.000 0.522) 3.271 4.656 ( 5.698 0.000 -3.614) 6.747 4.686 ( 3.606 0.000 -2.790) 4.559 4.747 ( -0.205 0.000 -1.285) 1.301 4.785 ( 2.845 0.000 0.001) 2.845 4.845 ( -6.082 0.000 3.628) 7.082 5.073 ( 13.599 0.000 -6.084) 14.898 5.145 ( -2.123 0.000 -4.203) 4.708 5.181 ( 17.121 0.000 -12.460) 21.175 5.245 ( 15.824 0.000 -5.742) 16.833 5.363 ( 7.881 0.000 -14.122) 16.172 5.436 ( 6.717 0.000 -6.674) 9.469 5.509 ( 4.597 0.000 -5.167) 6.916 5.692 ( -2.807 0.000 4.146) 5.007 5.786 ( -4.966 0.000 3.295) 5.960 5.943 ( 0.733 0.000 -0.266) 0.780 5.952 ( 0.418 0.000 1.081) 1.159 6.023 ( -4.618 0.000 2.645) 5.322 6.203 ( 3.835 0.000 -1.648) 4.174 6.239 ( -0.825 0.000 -1.403) 1.627 6.494 ( -1.171 0.000 3.680) 3.862 6.504 ( -4.943 0.000 4.379) 6.604 6.661 ( -0.256 0.000 1.447) 1.469 6.692 ( -10.725 0.000 5.679) 12.136 6.733 ( -3.559 0.000 -3.948) 5.315 6.785 ( -1.782 0.000 -1.564) 2.371 6.818 ( -3.155 0.000 8.244) 8.827 6.896 ( 2.082 0.000 4.067) 4.569 6.935 ( -0.173 0.000 -1.251) 1.263 6.947 ( 4.139 0.000 -0.236) 4.146 7.120 ( -2.841 0.000 1.472) 3.199 7.122 ( -0.581 0.000 -2.559) 2.624 7.141 ( 0.504 0.000 -0.059) 0.507 7.211 ( -1.767 0.000 2.323) 2.919 7.319 ( -2.981 0.000 -0.610) 3.042 7.457 ( 2.471 0.000 -1.741) 3.023 7.505 ( 5.819 0.000 -4.455) 7.328 7.601 ( 1.940 0.000 -1.778) 2.632 7.687 ( -0.758 0.000 -0.301) 0.815 7.775 ( -0.606 0.000 -4.179) 4.223 7.796 ( -3.181 0.000 3.343) 4.615 7.885 ( -1.051 0.000 0.058) 1.053 8.110 ( 0.147 0.000 -4.631) 4.633 8.152 ( 0.454 0.000 -2.389) 2.432 8.374 ( -0.489 0.000 -0.697) 0.852 8.413 ( 5.661 0.000 -5.856) 8.145 8.996 ( 0.756 0.000 -2.578) 2.687 9.042 ( 1.222 0.000 -2.427) 2.718 9.052 ( -0.239 0.000 1.895) 1.910 9.128 ( 0.150 0.000 -1.759) 1.765 9.362 ( 0.133 0.000 0.202) 0.242 9.418 ( 1.382 0.000 0.373) 1.431 9.462 ( 0.225 0.000 3.637) 3.644 9.511 ( 0.670 0.000 5.796) 5.834 9.544 ( 2.798 0.000 5.787) 6.428 9.630 ( -1.050 0.000 -1.313) 1.681 9.702 ( -1.432 0.000 -1.726) 2.242 9.732 ( 17.991 0.000 22.452) 28.771 9.969 ( -0.390 0.000 1.817) 1.859 10.131 ( 2.658 0.000 0.992) 2.837 10.215 ( -3.294 0.000 -1.423) 3.588 10.353 ( -3.245 0.000 -6.059) 6.874 10.405 ( -2.536 0.000 -1.841) 3.134 10.477 ( -0.591 0.000 -2.129) 2.209 10.514 ( -9.782 0.000 -15.819) 18.599 10.593 ( -8.096 0.000 -8.275) 11.577 10.757 ( 0.732 0.000 -0.358) 0.815 10.850 ( 4.482 0.000 -0.330) 4.494 10.920 ( 1.119 0.000 4.259) 4.404 11.053 ( 6.756 0.000 10.962) 12.876 ======================= Grid point 35 (19/68) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -4.539 23.888 17.640) 30.040 0.975 ( -17.720 18.531 30.187) 39.606 1.378 ( -12.232 -23.416 17.008) 31.420 1.456 ( -10.899 -34.004 1.165) 35.727 1.631 ( 10.243 38.485 39.460) 56.064 2.251 ( -1.028 5.944 9.177) 10.982 2.407 ( -1.214 -15.575 18.530) 24.237 2.638 ( -3.920 -16.455 4.627) 17.537 2.769 ( -0.955 17.221 1.484) 17.311 2.792 ( 0.489 11.151 -2.756) 11.497 2.963 ( -0.214 -8.429 0.827) 8.472 3.048 ( 4.424 -0.681 5.319) 6.952 3.139 ( 3.210 -4.357 0.955) 5.496 3.200 ( -2.541 -13.421 -4.120) 14.267 3.348 ( -1.868 10.122 0.256) 10.296 3.421 ( -0.163 2.366 0.614) 2.450 3.450 ( -2.237 0.092 -2.064) 3.045 3.511 ( -0.273 -4.725 -0.281) 4.741 3.549 ( 1.681 1.123 -3.621) 4.147 3.586 ( 0.391 -0.625 -1.229) 1.434 3.712 ( 5.969 -1.953 -3.089) 6.999 3.718 ( 5.595 -4.630 -3.106) 7.899 3.799 ( -2.794 1.715 -1.004) 3.429 3.859 ( -3.617 -2.708 -0.370) 4.533 3.966 ( -3.690 4.334 -1.542) 5.897 3.988 ( 0.468 0.735 0.532) 1.021 4.033 ( 2.162 2.147 0.542) 3.095 4.074 ( -3.980 4.509 2.467) 6.501 4.092 ( -5.751 -1.265 0.129) 5.890 4.177 ( -0.807 -2.701 -2.572) 3.816 4.231 ( -1.678 4.282 -2.853) 5.412 4.308 ( -1.361 -3.143 -3.099) 4.619 4.337 ( 0.556 7.508 4.447) 8.744 4.402 ( 1.231 5.719 -2.217) 6.256 4.440 ( 1.141 -3.698 2.214) 4.458 4.477 ( -1.638 2.850 0.289) 3.300 4.522 ( -1.489 -4.065 -5.411) 6.929 4.567 ( -0.189 -4.252 1.934) 4.675 4.646 ( -3.473 2.018 1.024) 4.145 4.691 ( -2.673 -3.074 1.408) 4.310 4.745 ( 7.909 1.778 0.986) 8.166 4.762 ( 5.111 3.172 -2.795) 6.633 4.831 ( 1.882 0.469 3.337) 3.860 4.889 ( 1.411 0.846 6.124) 6.341 5.106 ( -0.866 6.028 -0.305) 6.098 5.255 ( 9.342 0.044 -2.608) 9.699 5.334 ( 9.707 -3.305 0.517) 10.267 5.404 ( 1.669 -3.403 -1.467) 4.064 5.472 ( 9.055 -6.977 -2.727) 11.752 5.519 ( 12.180 -4.724 -3.279) 13.469 5.646 ( 9.892 5.623 1.290) 11.452 5.733 ( 5.497 3.959 -2.728) 7.303 5.775 ( 5.847 6.979 -0.183) 9.106 5.891 ( 6.550 -6.902 4.608) 10.572 5.951 ( 3.328 -4.544 2.843) 6.309 6.042 ( -1.185 -4.715 -1.748) 5.167 6.312 ( -0.103 5.098 0.757) 5.155 6.332 ( -2.394 6.911 5.153) 8.947 6.414 ( -2.414 -0.920 1.255) 2.872 6.492 ( -2.424 -3.278 6.917) 8.029 6.578 ( -6.279 4.349 -4.413) 8.821 6.607 ( -6.985 2.156 -3.142) 7.957 6.644 ( -0.371 2.695 -2.828) 3.924 6.673 ( -3.620 -1.192 -3.859) 5.424 6.727 ( -2.195 -4.629 1.345) 5.297 6.834 ( 1.181 -9.050 1.295) 9.218 6.980 ( -6.016 4.071 -1.927) 7.515 7.031 ( -0.786 -0.756 -1.216) 1.634 7.098 ( -1.834 0.756 -0.770) 2.128 7.100 ( 0.285 -0.072 -0.985) 1.027 7.159 ( 1.671 1.931 0.403) 2.585 7.200 ( 0.375 -1.092 1.271) 1.717 7.413 ( 6.066 3.092 -6.694) 9.548 7.453 ( 3.956 -1.975 -4.436) 6.263 7.596 ( -0.923 0.784 -1.222) 1.721 7.604 ( 2.441 0.416 -2.734) 3.689 7.672 ( -4.645 0.157 -2.055) 5.081 7.693 ( -5.837 -0.827 -1.623) 6.114 7.785 ( -1.667 8.539 -7.459) 11.460 7.847 ( -0.844 -0.603 -2.000) 2.253 7.984 ( -8.645 4.537 -3.872) 10.503 8.123 ( -5.350 -5.728 -9.102) 12.012 8.260 ( -4.918 3.627 -7.706) 9.835 8.323 ( -3.352 -1.757 -6.347) 7.389 9.011 ( 0.635 0.635 -1.543) 1.785 9.019 ( -1.497 -0.084 -0.862) 1.729 9.052 ( -0.295 0.468 -1.934) 2.011 9.063 ( -2.121 -0.406 -1.241) 2.491 9.363 ( -0.648 0.416 0.150) 0.784 9.377 ( -1.138 -1.024 0.212) 1.545 9.474 ( -3.216 0.799 1.372) 3.586 9.485 ( -4.213 -0.337 1.342) 4.435 9.638 ( -0.408 1.084 6.166) 6.274 9.668 ( 0.294 -1.271 4.476) 4.662 9.710 ( 2.042 0.925 3.756) 4.374 9.751 ( -2.482 -2.790 5.397) 6.563 10.042 ( -6.710 4.956 -4.913) 9.681 10.112 ( -4.465 -2.274 -3.869) 6.331 10.183 ( 3.167 0.287 -0.365) 3.201 10.191 ( 5.709 -0.324 -0.541) 5.744 10.369 ( -0.257 1.988 -3.043) 3.644 10.413 ( -0.677 -2.180 -2.531) 3.409 10.554 ( 1.913 1.927 -0.297) 2.732 10.604 ( 5.130 -3.053 -0.669) 6.007 10.831 ( 2.971 2.761 0.683) 4.113 10.883 ( 2.837 -2.397 0.922) 3.827 11.116 ( 6.098 6.139 12.302) 15.040 11.295 ( 12.681 -12.782 12.072) 21.678 ======================= Grid point 36 (20/68) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 10.889 13.394 20.242) 26.603 1.129 ( 15.627 1.069 28.704) 32.700 1.390 ( 2.501 -21.745 11.079) 24.533 1.430 ( 5.955 -22.393 10.150) 25.297 2.187 ( 16.968 27.704 29.006) 43.552 2.247 ( 1.580 20.543 5.457) 21.314 2.477 ( -1.624 8.213 -0.816) 8.412 2.623 ( -1.823 -7.578 -0.139) 7.795 2.803 ( 3.234 0.866 2.371) 4.102 2.877 ( 6.594 -6.030 10.970) 14.149 2.964 ( -0.676 -6.078 1.533) 6.305 3.088 ( -2.968 -13.225 -6.569) 15.062 3.142 ( 0.010 4.245 -0.785) 4.316 3.224 ( 3.179 -3.780 2.003) 5.330 3.343 ( -0.539 0.662 -1.744) 1.942 3.374 ( -1.416 0.176 -1.537) 2.097 3.416 ( 0.046 1.146 -0.160) 1.158 3.483 ( -1.560 -4.435 -1.316) 4.882 3.546 ( -2.772 0.122 -0.380) 2.801 3.592 ( 3.296 -2.913 -1.102) 4.535 3.762 ( -0.346 2.849 -0.894) 3.006 3.772 ( 0.997 0.499 -0.768) 1.354 3.813 ( 3.217 -2.360 -0.581) 4.032 3.830 ( 0.211 -3.017 2.506) 3.928 3.878 ( -5.545 0.199 0.040) 5.548 3.942 ( -3.414 -3.767 2.023) 5.471 3.978 ( -0.797 1.452 1.331) 2.125 4.014 ( -2.092 0.157 0.151) 2.103 4.128 ( 3.110 1.764 -0.910) 3.690 4.147 ( 0.630 -0.412 -3.714) 3.789 4.184 ( -0.185 2.684 -4.503) 5.246 4.236 ( -1.153 -1.820 -4.749) 5.215 4.348 ( -2.234 2.613 -4.127) 5.371 4.379 ( -3.877 -0.384 -5.335) 6.606 4.425 ( 1.373 0.900 -0.052) 1.643 4.457 ( -0.285 -1.964 -2.059) 2.859 4.546 ( -0.503 4.845 2.081) 5.297 4.604 ( -0.762 2.658 6.110) 6.707 4.628 ( 3.528 -2.336 1.855) 4.619 4.665 ( -0.279 -4.212 4.360) 6.069 4.841 ( 4.592 6.997 1.005) 8.430 4.854 ( 1.854 4.442 4.080) 6.310 4.910 ( 3.340 -0.151 2.246) 4.027 4.971 ( 2.222 -2.916 5.674) 6.755 5.120 ( 2.324 6.610 1.591) 7.185 5.310 ( -0.959 -3.039 0.702) 3.263 5.424 ( 2.109 -1.031 1.482) 2.776 5.457 ( 0.613 -4.383 2.705) 5.187 5.621 ( 6.435 -0.139 1.853) 6.698 5.675 ( 5.417 0.850 2.014) 5.841 5.718 ( 0.776 4.752 0.667) 4.861 5.856 ( 1.739 1.589 10.636) 10.894 5.890 ( 4.210 -0.887 3.074) 5.288 5.981 ( -2.611 -5.990 5.141) 8.314 6.092 ( 6.600 -3.196 5.246) 9.017 6.128 ( 9.900 -5.899 2.690) 11.834 6.285 ( -5.786 2.639 -1.438) 6.520 6.309 ( -1.942 0.810 0.324) 2.129 6.391 ( -4.482 0.877 0.092) 4.568 6.423 ( -0.193 -2.223 -1.254) 2.560 6.486 ( 1.771 5.973 -7.463) 9.722 6.525 ( 1.192 2.614 -3.849) 4.803 6.592 ( 0.508 -0.848 -4.615) 4.720 6.639 ( -4.672 -2.222 -5.692) 7.692 6.688 ( 4.105 7.408 -0.147) 8.470 6.805 ( -9.575 6.830 -3.769) 12.350 6.865 ( 1.054 -9.368 -0.794) 9.461 6.927 ( -7.181 -4.910 -4.720) 9.897 7.075 ( -0.329 0.921 -0.548) 1.121 7.111 ( 0.680 -2.204 -0.264) 2.322 7.183 ( 0.119 2.123 0.217) 2.138 7.210 ( -0.121 -0.303 0.451) 0.557 7.437 ( -0.920 6.058 -10.590) 12.235 7.480 ( 1.180 -1.127 -6.705) 6.901 7.494 ( -2.319 1.005 0.464) 2.569 7.528 ( -6.480 -0.908 -0.009) 6.543 7.624 ( 0.683 0.520 -2.303) 2.458 7.631 ( -1.672 0.795 -0.838) 2.032 7.656 ( -4.230 5.872 -10.133) 12.452 7.788 ( -5.576 -3.908 -11.766) 13.595 7.895 ( -1.364 -1.282 -0.059) 1.872 7.902 ( -5.753 -2.719 -0.686) 6.400 8.178 ( -0.841 4.191 -3.900) 5.786 8.243 ( -1.837 -2.248 -4.237) 5.136 8.985 ( -0.955 0.291 -0.448) 1.095 8.996 ( -1.100 -0.814 -0.318) 1.405 9.043 ( 1.211 1.164 -1.874) 2.517 9.059 ( 1.289 -0.409 -1.995) 2.410 9.346 ( -1.283 0.437 0.583) 1.475 9.357 ( -1.426 -0.576 0.653) 1.671 9.419 ( -3.294 0.319 0.780) 3.401 9.423 ( -2.971 -0.077 1.109) 3.172 9.641 ( -3.474 0.552 5.550) 6.571 9.657 ( -4.057 -1.006 5.113) 6.604 9.764 ( 1.297 2.041 3.326) 4.112 9.797 ( 2.400 -1.104 3.409) 4.313 9.958 ( -2.212 2.487 -0.813) 3.426 10.014 ( -3.339 -2.735 -2.452) 4.964 10.255 ( 4.360 0.886 -0.104) 4.450 10.273 ( 4.040 -0.766 -0.608) 4.156 10.368 ( 0.734 1.377 -0.751) 1.732 10.396 ( -0.059 -1.247 -1.008) 1.605 10.594 ( 3.017 2.623 -2.046) 4.491 10.654 ( 2.702 -3.109 -3.790) 5.597 10.897 ( 3.367 2.547 1.920) 4.638 10.947 ( 3.448 -2.217 1.871) 4.506 11.276 ( 2.386 6.976 9.150) 11.751 11.465 ( 0.593 -11.434 4.835) 12.428 ======================= Grid point 37 (21/68) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 24.035 6.725 11.132) 27.328 1.650 ( 15.995 -7.370 16.345) 24.028 1.679 ( 20.401 -9.344 21.961) 31.397 1.719 ( 19.550 -11.756 5.180) 23.393 2.280 ( 4.584 15.929 -1.705) 16.663 2.441 ( 3.975 14.907 -5.547) 16.395 2.606 ( 2.832 -8.067 -5.039) 9.924 2.645 ( 8.428 12.054 11.904) 18.921 2.853 ( 0.957 0.394 2.075) 2.319 2.945 ( -2.487 -4.345 -1.019) 5.109 3.003 ( -1.086 -6.254 -3.174) 7.097 3.028 ( 2.052 -1.353 3.777) 4.507 3.103 ( -1.130 5.328 -7.711) 9.440 3.230 ( -2.844 -6.136 -5.262) 8.569 3.282 ( -1.146 -0.218 -4.221) 4.379 3.322 ( -2.087 -5.489 -3.560) 6.867 3.377 ( -2.418 7.323 -2.003) 7.968 3.510 ( 1.509 2.303 2.070) 3.445 3.545 ( -3.015 -7.497 -4.518) 9.258 3.560 ( 2.041 -2.453 4.458) 5.482 3.737 ( -1.689 -0.306 -5.007) 5.293 3.755 ( -0.121 -3.056 -1.055) 3.235 3.810 ( 0.282 3.375 6.407) 7.247 3.837 ( -0.460 4.150 0.938) 4.280 3.902 ( -2.181 -2.361 -0.632) 3.275 3.944 ( -0.392 -6.879 7.220) 9.981 4.010 ( 0.176 4.721 3.666) 5.980 4.047 ( 2.713 1.878 7.026) 7.763 4.122 ( 1.773 2.237 -6.902) 7.469 4.145 ( 0.957 0.401 -3.640) 3.786 4.207 ( 3.230 0.325 -2.095) 3.864 4.244 ( 0.743 -2.464 -0.353) 2.597 4.263 ( 2.643 -1.882 -1.851) 3.735 4.289 ( -2.102 -3.052 -0.990) 3.836 4.429 ( 0.072 0.060 -1.679) 1.681 4.450 ( 2.080 -2.663 -1.413) 3.662 4.512 ( -2.905 5.838 1.488) 6.689 4.625 ( -0.455 -1.235 2.267) 2.622 4.662 ( -1.838 -0.189 2.230) 2.896 4.727 ( 0.199 -3.712 0.999) 3.849 4.896 ( -1.810 2.918 4.921) 6.000 4.905 ( -1.219 2.632 2.071) 3.564 4.945 ( 0.230 2.557 5.396) 5.976 5.075 ( 5.301 -9.132 7.534) 12.972 5.192 ( 2.602 10.195 4.030) 11.267 5.301 ( 1.543 0.884 0.096) 1.781 5.422 ( -4.763 -1.536 0.321) 5.015 5.463 ( 1.200 0.618 -2.406) 2.759 5.660 ( -4.493 5.698 2.480) 7.668 5.731 ( -2.312 -0.351 1.693) 2.887 5.777 ( 3.140 1.731 5.138) 6.266 5.874 ( -4.637 -4.193 0.046) 6.252 5.908 ( -6.604 -0.956 11.734) 13.499 5.936 ( -6.492 -3.035 9.025) 11.525 6.069 ( -11.675 -0.088 3.875) 12.302 6.119 ( -9.254 -5.655 2.649) 11.164 6.290 ( 1.730 0.913 0.321) 1.983 6.307 ( 4.213 -0.495 1.289) 4.433 6.360 ( -3.157 3.227 -4.585) 6.435 6.393 ( -1.654 0.349 0.836) 1.886 6.502 ( -0.058 3.283 -4.649) 5.691 6.554 ( 4.415 0.717 -5.099) 6.783 6.594 ( 9.069 0.054 -7.587) 11.824 6.633 ( 7.069 -0.847 -6.756) 9.815 6.668 ( 0.448 1.695 -1.249) 2.153 6.741 ( -7.045 -4.192 -3.476) 8.905 6.823 ( 8.744 3.608 2.364) 9.750 6.890 ( 2.461 -3.013 -0.456) 3.917 7.088 ( 2.798 1.569 0.156) 3.212 7.130 ( 2.435 -1.285 -2.419) 3.665 7.173 ( -0.734 1.112 1.296) 1.859 7.202 ( -0.430 -1.287 -0.869) 1.611 7.327 ( -3.139 4.641 -3.700) 6.715 7.394 ( -2.854 -1.586 -3.602) 4.861 7.457 ( -3.135 -0.084 -5.935) 6.713 7.478 ( -5.130 -2.075 -3.475) 6.534 7.522 ( -3.461 0.641 -4.106) 5.408 7.534 ( -4.950 -0.191 -5.075) 7.092 7.602 ( -1.652 0.569 -3.336) 3.766 7.614 ( -1.329 -0.490 -1.498) 2.061 7.895 ( 1.681 0.585 0.115) 1.784 7.919 ( 1.853 -1.729 0.688) 2.626 8.148 ( -0.091 2.634 -2.710) 3.780 8.191 ( -1.095 -1.535 -3.167) 3.686 8.976 ( 0.178 0.100 -0.536) 0.574 8.982 ( -0.047 -0.523 -0.836) 0.987 9.052 ( 0.945 0.767 -1.702) 2.093 9.063 ( 0.640 -0.315 -1.895) 2.025 9.331 ( -1.163 0.122 1.445) 1.859 9.337 ( -1.495 -0.422 1.267) 2.004 9.386 ( -0.984 0.634 0.857) 1.451 9.396 ( -0.943 -0.254 0.991) 1.392 9.612 ( -3.219 0.245 3.610) 4.842 9.618 ( -3.652 -0.301 3.418) 5.011 9.776 ( -2.227 1.823 1.841) 3.416 9.812 ( -2.964 -1.555 1.349) 3.608 9.956 ( 1.654 1.023 1.198) 2.285 9.980 ( 0.369 -1.259 0.150) 1.321 10.321 ( 2.981 0.306 -0.417) 3.025 10.328 ( 2.528 -0.380 -0.496) 2.604 10.374 ( 0.611 1.171 -0.665) 1.478 10.395 ( 0.596 -0.914 -0.615) 1.253 10.625 ( 2.538 2.003 -3.233) 4.572 10.665 ( 1.854 -1.861 -3.393) 4.291 10.967 ( 3.085 2.650 0.731) 4.132 11.023 ( 3.804 -2.614 0.435) 4.636 11.327 ( -1.567 4.994 4.439) 6.863 11.447 ( -4.123 -6.383 1.964) 7.849 ======================= Grid point 38 (22/68) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 9.534 -1.471 9.863) 13.797 2.005 ( 16.317 -1.763 10.920) 19.713 2.125 ( 18.624 -2.686 3.348) 19.112 2.164 ( 18.493 -6.063 7.934) 21.017 2.363 ( 6.271 12.917 -1.545) 14.441 2.530 ( 8.126 2.047 -5.784) 10.182 2.635 ( 6.579 -0.192 -8.479) 10.734 2.756 ( 4.857 2.426 -1.110) 5.541 2.841 ( -3.381 -2.292 -1.050) 4.217 2.875 ( -3.284 -2.196 0.687) 4.010 2.939 ( -5.407 3.963 -4.837) 8.267 3.006 ( -1.377 3.234 -0.811) 3.608 3.051 ( -0.391 0.541 -6.054) 6.091 3.102 ( 1.955 -4.860 -7.179) 8.887 3.252 ( 1.999 -1.407 -4.727) 5.321 3.300 ( -1.044 -7.809 0.266) 7.883 3.360 ( -0.969 3.513 -3.114) 4.794 3.442 ( -3.248 -4.264 -4.881) 7.250 3.550 ( 1.593 5.314 -3.131) 6.370 3.610 ( 0.514 2.129 1.837) 2.859 3.691 ( -0.091 -2.352 -0.505) 2.408 3.760 ( -1.318 -4.730 -1.156) 5.044 3.812 ( -1.051 0.374 -1.372) 1.768 3.859 ( -2.485 -1.363 0.666) 2.911 3.885 ( 2.062 0.890 1.801) 2.879 3.916 ( -1.225 -2.907 -0.033) 3.155 3.998 ( -3.432 8.984 1.583) 9.747 4.110 ( 2.036 2.643 -1.499) 3.658 4.118 ( 3.381 0.201 -5.824) 6.737 4.129 ( 1.279 -0.546 -7.157) 7.290 4.222 ( 0.301 -2.411 -1.184) 2.703 4.224 ( 1.249 1.450 0.960) 2.141 4.334 ( 6.396 7.667 7.495) 12.484 4.408 ( 0.506 -0.266 -0.524) 0.775 4.446 ( 0.223 -1.898 -0.492) 1.974 4.479 ( -0.390 2.808 2.915) 4.066 4.515 ( -1.026 -8.743 7.475) 11.549 4.575 ( -2.958 -4.821 6.050) 8.282 4.624 ( -3.725 2.764 -1.623) 4.914 4.686 ( -4.373 -2.728 2.521) 5.738 4.800 ( -12.153 0.202 3.711) 12.709 4.816 ( -8.879 -1.762 0.922) 9.099 5.086 ( 7.582 6.229 10.710) 14.525 5.175 ( 2.118 -0.092 -2.118) 2.997 5.265 ( -1.537 -3.498 3.637) 5.275 5.293 ( -1.092 -2.019 -4.340) 4.910 5.366 ( 2.952 0.519 -3.916) 4.931 5.416 ( -2.625 -0.827 -3.210) 4.228 5.543 ( -4.909 3.331 -1.508) 6.122 5.635 ( -9.102 -3.879 -3.795) 10.597 5.731 ( -7.887 2.518 -4.008) 9.198 5.762 ( -5.949 1.565 -1.116) 6.252 5.871 ( -7.381 3.531 4.982) 9.580 5.927 ( -3.904 -2.510 5.550) 7.235 5.958 ( -2.472 2.425 15.033) 15.426 6.007 ( -7.571 -1.274 14.099) 16.054 6.260 ( -1.294 1.935 -3.484) 4.190 6.280 ( -1.230 0.301 -1.196) 1.741 6.357 ( 1.251 0.206 -2.160) 2.505 6.386 ( 0.349 -2.647 0.418) 2.703 6.463 ( -2.213 2.482 0.067) 3.326 6.527 ( -5.383 -3.291 -1.253) 6.433 6.637 ( -1.443 1.488 1.586) 2.610 6.657 ( 3.671 -0.933 2.188) 4.375 6.772 ( 11.241 0.800 -8.018) 13.830 6.803 ( 8.485 -1.801 -5.542) 10.294 6.965 ( 5.645 0.834 -0.504) 5.729 6.990 ( 6.280 -1.870 2.866) 7.152 7.150 ( 1.991 0.621 -3.004) 3.657 7.164 ( 3.005 -0.477 -1.270) 3.297 7.208 ( 3.576 0.852 3.532) 5.098 7.218 ( 2.953 -0.152 1.598) 3.361 7.272 ( -0.986 1.781 -1.470) 2.512 7.299 ( -2.104 -0.922 -3.580) 4.254 7.391 ( 0.845 0.789 -0.313) 1.198 7.406 ( 0.794 -0.427 -1.240) 1.533 7.457 ( -3.282 0.803 0.896) 3.495 7.477 ( -2.382 -0.904 0.203) 2.556 7.550 ( -2.637 0.975 0.468) 2.850 7.575 ( -2.071 -1.069 -0.208) 2.340 7.927 ( 1.744 0.773 -0.076) 1.909 7.954 ( 1.579 -1.702 -0.065) 2.323 8.134 ( 0.299 1.854 -1.900) 2.671 8.164 ( 0.312 -1.074 -1.942) 2.241 8.979 ( 0.426 0.000 -0.689) 0.810 8.982 ( 0.721 -0.216 -0.703) 1.030 9.049 ( 0.004 0.481 -1.620) 1.690 9.056 ( 0.227 -0.255 -1.938) 1.968 9.324 ( -1.158 -0.030 1.745) 2.095 9.326 ( -0.899 -0.283 2.133) 2.332 9.393 ( 0.795 0.537 0.929) 1.336 9.400 ( 0.436 -0.173 1.025) 1.127 9.576 ( -2.944 0.168 1.527) 3.321 9.579 ( -2.788 -0.154 1.863) 3.356 9.734 ( -2.747 0.931 0.737) 2.993 9.753 ( -3.380 -0.782 0.353) 3.487 9.994 ( 1.001 0.121 1.263) 1.616 9.999 ( 0.573 -0.367 0.908) 1.135 10.350 ( 1.026 0.004 -1.049) 1.467 10.353 ( 0.866 -0.298 -0.606) 1.098 10.387 ( 1.489 1.137 -1.170) 2.209 10.404 ( 0.827 -0.616 -0.573) 1.179 10.643 ( 2.178 1.721 -2.823) 3.959 10.678 ( 1.852 -1.559 -2.366) 3.385 11.005 ( 1.473 3.064 -2.159) 4.028 11.073 ( 2.523 -3.435 -2.952) 5.184 11.297 ( -3.222 3.236 0.098) 4.567 11.368 ( -4.954 -3.474 -0.874) 6.113 ======================= Grid point 39 (23/68) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -13.300 -1.637 -3.066) 13.746 2.060 ( -12.984 -10.283 1.578) 16.638 2.331 ( -4.583 8.146 -0.658) 9.370 2.386 ( 6.356 -0.163 4.162) 7.599 2.510 ( 9.384 4.705 0.566) 10.513 2.593 ( 1.212 -0.363 -1.449) 1.923 2.682 ( 1.979 1.684 -3.845) 4.641 2.781 ( 2.276 3.161 -6.331) 7.433 2.816 ( 0.185 -8.706 -6.091) 10.626 2.850 ( -0.127 -1.109 0.539) 1.239 2.941 ( 3.967 7.584 6.029) 10.469 3.029 ( 4.469 3.547 3.607) 6.750 3.081 ( 7.947 4.204 -2.150) 9.244 3.179 ( 3.331 3.203 -6.650) 8.098 3.211 ( 0.197 -4.454 -2.320) 5.026 3.298 ( 2.937 -6.307 1.444) 7.106 3.362 ( 5.021 -2.560 -3.256) 6.509 3.396 ( 3.375 -2.570 -5.097) 6.631 3.575 ( -2.450 1.648 -2.657) 3.972 3.607 ( 6.180 4.346 -4.365) 8.725 3.647 ( -3.421 -1.345 -4.096) 5.504 3.698 ( 1.049 -3.123 -2.696) 4.256 3.756 ( -5.605 -1.336 -3.421) 6.701 3.801 ( 0.197 -4.395 -4.144) 6.044 3.924 ( 2.421 1.303 0.120) 2.752 3.955 ( 2.662 -0.388 -2.433) 3.627 4.016 ( 3.371 3.849 3.995) 6.491 4.059 ( -5.051 5.444 -0.175) 7.428 4.134 ( 2.955 -4.765 -3.306) 6.509 4.153 ( 4.357 -0.711 -5.076) 6.727 4.260 ( 4.285 0.482 -2.573) 5.021 4.283 ( 1.893 -0.189 1.791) 2.613 4.334 ( -5.588 2.901 1.985) 6.602 4.367 ( -10.856 -1.068 6.782) 12.845 4.418 ( -9.211 1.939 1.367) 9.512 4.426 ( -4.292 1.263 -1.677) 4.778 4.469 ( -3.575 -1.686 0.786) 4.030 4.528 ( -2.038 -4.183 -2.167) 5.133 4.565 ( -3.386 0.945 3.537) 4.987 4.606 ( -2.598 1.329 0.764) 3.016 4.673 ( -6.191 -6.114 1.416) 8.815 4.690 ( -1.521 -3.745 -1.530) 4.322 5.116 ( -3.578 6.370 -6.874) 10.032 5.209 ( -1.693 2.076 -3.599) 4.486 5.230 ( -2.442 6.011 -4.270) 7.767 5.303 ( -2.668 -1.316 0.770) 3.073 5.321 ( 0.632 -2.139 -1.356) 2.610 5.379 ( -5.473 -5.107 -3.522) 8.273 5.427 ( -4.234 3.198 1.916) 5.642 5.544 ( -0.898 -0.927 -0.310) 1.327 5.606 ( 2.545 3.741 -4.076) 6.090 5.682 ( 0.530 -0.482 -0.839) 1.104 5.757 ( -7.582 1.434 1.906) 7.948 5.855 ( -4.955 -4.487 1.962) 6.967 6.020 ( -3.479 0.127 9.428) 10.050 6.046 ( -0.566 -1.571 12.593) 12.703 6.240 ( -0.073 1.399 -2.771) 3.105 6.263 ( 0.957 -0.510 -0.833) 1.367 6.349 ( -1.512 1.997 -2.966) 3.882 6.385 ( -0.882 -1.759 -0.878) 2.155 6.458 ( 1.129 2.022 3.370) 4.089 6.507 ( 4.270 -2.501 3.825) 6.254 6.624 ( 0.300 5.111 3.668) 6.298 6.716 ( 0.806 -3.491 4.669) 5.885 6.884 ( 5.829 1.260 -4.068) 7.219 6.923 ( 6.850 -1.095 -3.139) 7.614 7.013 ( 2.075 0.687 -2.394) 3.241 7.048 ( 0.128 -1.870 -0.327) 1.903 7.134 ( -3.368 0.917 1.108) 3.662 7.163 ( -4.112 -1.207 2.373) 4.898 7.243 ( 1.668 0.494 -1.313) 2.180 7.263 ( 1.988 -0.923 0.458) 2.239 7.336 ( 3.154 0.466 0.916) 3.317 7.354 ( 2.107 -0.892 1.632) 2.810 7.403 ( -1.554 1.584 1.325) 2.584 7.444 ( 0.341 -1.500 2.604) 3.024 7.462 ( 5.972 2.636 4.147) 7.734 7.498 ( 5.321 -1.525 3.383) 6.487 7.557 ( 3.247 1.575 5.229) 6.353 7.585 ( 2.532 -0.599 4.358) 5.076 7.952 ( 0.974 0.301 0.362) 1.082 7.974 ( 0.834 -1.591 0.089) 1.799 8.138 ( 1.642 2.525 -1.022) 3.181 8.180 ( 2.326 -1.533 -0.040) 2.786 8.984 ( 0.535 0.386 -0.300) 0.725 8.995 ( 0.985 -0.669 0.046) 1.192 9.037 ( 0.293 0.552 -1.741) 1.850 9.046 ( 0.316 -0.280 -2.126) 2.167 9.320 ( -0.625 0.317 1.877) 2.004 9.329 ( -0.583 -0.556 2.426) 2.556 9.414 ( -0.210 0.237 1.510) 1.542 9.416 ( 0.459 0.072 1.420) 1.494 9.536 ( -2.072 0.336 -0.042) 2.099 9.543 ( -2.005 -0.356 0.153) 2.042 9.702 ( -0.887 1.015 -0.253) 1.372 9.722 ( 0.077 -0.889 0.115) 0.899 10.000 ( -1.044 0.164 0.703) 1.270 10.005 ( -0.513 -0.304 0.790) 0.990 10.346 ( -0.108 0.263 -2.127) 2.146 10.356 ( 0.136 -0.818 -1.126) 1.398 10.404 ( 1.100 1.072 -0.275) 1.560 10.416 ( 0.731 -0.257 0.167) 0.792 10.667 ( 2.348 1.358 -1.733) 3.219 10.696 ( 1.476 -1.339 -1.271) 2.363 10.985 ( -0.745 3.344 -5.254) 6.272 11.062 ( -0.080 -4.037 -6.677) 7.803 11.223 ( -3.527 2.300 -4.062) 5.850 11.268 ( -4.032 -2.081 -4.316) 6.263 ======================= Grid point 40 (24/68) ======================= q-point: (-0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -24.724 2.513 -4.883) 25.327 1.785 ( -16.773 -18.215 3.986) 25.080 2.062 ( -22.303 16.511 -3.763) 28.004 2.314 ( -17.841 -9.197 8.172) 21.672 2.526 ( -10.260 5.053 -2.714) 11.755 2.552 ( -5.612 10.314 5.939) 13.158 2.694 ( 0.666 -1.192 -1.777) 2.241 2.756 ( 0.116 -4.366 -10.671) 11.530 2.796 ( 0.384 -1.119 -0.429) 1.259 2.880 ( 0.410 -3.716 2.282) 4.380 2.978 ( -2.145 8.256 4.073) 9.452 3.113 ( 2.604 1.254 0.038) 2.891 3.156 ( 2.814 1.778 1.109) 3.508 3.232 ( 2.906 -2.609 -7.396) 8.364 3.247 ( 6.331 3.793 -4.457) 8.622 3.299 ( -4.657 -2.769 -2.143) 5.826 3.389 ( -1.790 -0.891 -4.008) 4.479 3.419 ( 1.955 -2.110 -1.627) 3.305 3.536 ( 2.037 2.952 3.319) 4.887 3.631 ( 2.077 2.644 -4.237) 5.409 3.672 ( 4.904 -6.918 1.551) 8.621 3.704 ( -1.120 -2.329 -2.321) 3.474 3.789 ( 8.103 1.519 -1.372) 8.358 3.871 ( -0.629 3.247 -2.615) 4.216 3.875 ( 5.621 -4.556 -0.462) 7.250 3.945 ( -0.824 -2.523 0.819) 2.778 4.015 ( -4.775 -0.242 1.705) 5.076 4.037 ( -13.816 -3.102 6.465) 15.566 4.099 ( 2.487 0.241 3.245) 4.096 4.154 ( 1.267 -2.159 3.213) 4.073 4.217 ( 3.765 1.621 -5.312) 6.710 4.270 ( 5.696 -1.443 -4.509) 7.407 4.362 ( 2.244 0.560 2.443) 3.364 4.374 ( 6.587 -1.105 -4.233) 7.907 4.418 ( 3.218 0.094 -5.182) 6.101 4.442 ( 8.133 1.924 -9.715) 12.815 4.458 ( 3.078 0.189 0.985) 3.237 4.487 ( -2.119 2.421 3.182) 4.525 4.524 ( 2.725 -3.739 0.601) 4.665 4.573 ( -4.108 -5.375 -2.036) 7.065 4.600 ( 0.908 1.451 -1.068) 2.018 4.638 ( -2.514 -1.529 -1.518) 3.310 4.943 ( -11.201 8.294 -3.265) 14.314 5.082 ( -8.378 -0.393 -5.988) 10.306 5.103 ( -3.517 2.807 -11.032) 11.914 5.181 ( -3.908 -1.109 -7.438) 8.475 5.217 ( -6.873 11.597 0.095) 13.481 5.327 ( -2.532 3.815 0.517) 4.608 5.391 ( -3.785 -5.961 -1.664) 7.255 5.535 ( 1.384 -0.267 -4.655) 4.863 5.599 ( -5.156 2.361 -3.360) 6.592 5.674 ( -0.864 -6.115 -0.924) 6.244 5.789 ( 6.597 1.053 0.789) 6.727 5.819 ( 1.791 -5.825 -5.368) 8.121 5.992 ( -3.519 1.104 3.463) 5.059 6.100 ( -2.533 -5.962 8.658) 10.813 6.217 ( 1.670 4.708 -3.172) 5.917 6.272 ( -0.656 1.376 -0.927) 1.784 6.343 ( 4.444 -0.543 3.142) 5.470 6.387 ( 0.882 -3.145 3.168) 4.551 6.565 ( 5.276 4.241 4.502) 8.129 6.643 ( 6.623 -3.409 2.685) 7.919 6.696 ( 3.155 4.906 4.776) 7.539 6.769 ( 2.124 -2.349 2.999) 4.361 6.912 ( -0.377 2.163 0.576) 2.270 6.952 ( -3.050 -0.520 0.664) 3.164 7.009 ( -3.860 0.415 -0.177) 3.886 7.014 ( -4.859 0.174 1.024) 4.969 7.084 ( -0.228 0.433 1.709) 1.778 7.118 ( -1.296 -1.406 2.432) 3.093 7.269 ( -2.634 1.905 0.751) 3.337 7.292 ( 2.724 -0.627 -2.463) 3.725 7.305 ( -2.871 0.163 1.407) 3.201 7.352 ( -0.504 -3.935 2.244) 4.558 7.419 ( 2.748 2.925 -0.576) 4.054 7.488 ( 3.359 -3.783 -1.336) 5.232 7.633 ( 6.924 3.460 6.287) 9.972 7.665 ( 5.367 0.168 6.859) 8.711 7.685 ( 4.619 1.734 5.050) 7.060 7.720 ( 8.511 -1.394 6.139) 10.587 7.972 ( 0.683 0.038 2.001) 2.114 8.000 ( 2.148 -2.645 1.808) 3.857 8.183 ( 3.453 3.989 0.781) 5.334 8.244 ( 3.846 -2.147 2.090) 4.875 8.993 ( 0.430 0.569 0.516) 0.880 9.010 ( 0.411 -1.036 -0.353) 1.170 9.040 ( 1.119 0.425 -1.447) 1.877 9.045 ( 1.190 0.004 -0.788) 1.427 9.328 ( 0.102 0.392 1.606) 1.657 9.339 ( -0.129 -0.685 2.062) 2.177 9.416 ( -0.690 0.605 2.562) 2.721 9.426 ( -0.475 -0.275 2.473) 2.533 9.506 ( -0.888 0.306 -0.552) 1.090 9.514 ( -0.921 -0.461 -0.773) 1.288 9.702 ( 1.055 2.211 -1.150) 2.706 9.744 ( 1.763 -1.755 -0.724) 2.591 9.981 ( -1.327 0.948 1.340) 2.111 10.001 ( -0.198 -0.905 1.449) 1.719 10.321 ( -0.849 0.512 -2.300) 2.505 10.339 ( -0.822 -1.332 -1.732) 2.335 10.429 ( 1.093 0.985 2.049) 2.523 10.434 ( 0.573 0.321 1.526) 1.662 10.701 ( 2.339 0.022 -1.124) 2.595 10.707 ( 0.094 -0.509 -0.282) 0.589 10.912 ( -2.078 3.197 -7.421) 8.344 10.983 ( -2.051 -3.500 -9.206) 10.061 11.115 ( -4.115 2.107 -7.420) 8.743 11.162 ( -3.077 -2.429 -9.074) 9.884 ======================= Grid point 41 (25/68) ======================= q-point: (-0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -21.944 15.695 6.229) 27.689 1.570 ( -27.212 23.802 -5.350) 36.547 1.599 ( -10.024 -28.036 12.556) 32.313 1.976 ( -24.891 -17.754 9.473) 32.008 2.123 ( -35.190 15.778 10.742) 40.034 2.441 ( -11.878 -1.046 2.434) 12.170 2.638 ( -9.713 -6.829 1.719) 11.997 2.678 ( 0.711 4.275 -3.237) 5.410 2.748 ( -4.096 -2.040 0.532) 4.606 2.894 ( 0.698 -10.123 1.246) 10.224 2.958 ( -5.039 18.800 5.278) 20.166 3.116 ( -5.274 1.113 -5.561) 7.745 3.146 ( -1.517 -1.874 -1.543) 2.862 3.229 ( 3.788 -2.868 -0.440) 4.772 3.260 ( 4.837 -0.940 -5.892) 7.681 3.284 ( 3.432 -6.377 0.051) 7.242 3.412 ( 2.521 0.682 0.591) 2.677 3.472 ( 4.692 -2.223 0.743) 5.245 3.519 ( -0.326 3.956 -1.560) 4.265 3.604 ( -4.162 -2.530 -1.006) 4.974 3.692 ( 0.744 0.953 -6.274) 6.389 3.789 ( -1.314 -5.839 -1.767) 6.240 3.833 ( 6.250 1.310 2.221) 6.761 3.860 ( 4.498 -1.355 1.806) 5.033 3.896 ( -3.128 3.841 4.514) 6.702 3.946 ( -3.765 -1.564 5.638) 6.958 4.020 ( 0.916 -1.236 3.649) 3.960 4.045 ( 3.586 -2.938 4.567) 6.507 4.111 ( 0.290 6.217 -2.903) 6.867 4.207 ( 2.215 -3.879 -2.981) 5.370 4.266 ( -0.341 1.732 1.769) 2.499 4.309 ( 1.631 -0.990 -0.897) 2.108 4.360 ( -2.348 2.513 -0.599) 3.491 4.446 ( 4.340 -2.845 -1.959) 5.547 4.451 ( 3.845 4.604 -5.384) 8.061 4.503 ( 3.052 -2.686 -5.454) 6.802 4.536 ( 4.595 1.862 -0.691) 5.006 4.560 ( 4.455 2.472 -0.986) 5.189 4.577 ( 7.458 -0.794 -7.886) 10.883 4.613 ( 5.692 -2.135 -0.215) 6.083 4.629 ( 3.954 2.758 2.533) 5.446 4.693 ( 3.611 -2.927 5.294) 7.045 4.763 ( -1.475 6.962 -0.921) 7.176 4.887 ( -6.366 -5.495 -4.954) 9.760 5.018 ( 2.969 5.691 -11.566) 13.228 5.081 ( -2.206 -0.000 -4.331) 4.860 5.130 ( 1.817 5.621 -10.039) 11.648 5.277 ( 1.165 3.401 -8.188) 8.943 5.300 ( -3.625 -3.084 -1.906) 5.127 5.480 ( -1.525 7.081 -6.235) 9.558 5.529 ( -1.694 -12.768 1.677) 12.989 5.623 ( -1.234 -3.727 -4.837) 6.229 5.771 ( 0.517 -6.603 -10.899) 12.754 5.846 ( 0.008 0.110 -1.915) 1.918 5.947 ( -3.094 0.952 0.785) 3.331 6.101 ( -2.861 -4.632 5.892) 8.022 6.263 ( 4.079 9.446 -1.873) 10.458 6.321 ( 3.239 7.115 3.899) 8.736 6.418 ( 1.909 -4.951 1.271) 5.456 6.461 ( 1.148 -4.924 5.959) 7.815 6.640 ( 0.820 3.476 1.200) 3.768 6.735 ( 2.595 -3.940 -0.064) 4.718 6.786 ( 2.295 2.676 2.391) 4.259 6.825 ( 0.861 -1.064 -0.021) 1.369 6.865 ( -5.962 1.458 1.983) 6.450 6.884 ( -4.944 -1.018 1.530) 5.274 6.925 ( -2.888 2.426 5.486) 6.658 6.944 ( -4.121 0.275 4.943) 6.441 7.110 ( 1.273 0.322 0.616) 1.450 7.135 ( 1.148 -1.004 1.196) 1.938 7.203 ( -3.994 1.993 1.113) 4.600 7.236 ( -3.914 -0.895 1.806) 4.402 7.354 ( 0.751 -0.953 -1.076) 1.622 7.367 ( 4.207 -1.936 -2.992) 5.514 7.482 ( 4.749 3.282 -1.374) 5.934 7.540 ( 3.645 -2.685 -1.877) 4.900 7.727 ( 0.465 2.650 3.230) 4.204 7.763 ( 1.610 -0.662 4.772) 5.080 7.802 ( 3.751 3.328 1.643) 5.277 7.852 ( 2.341 -2.170 1.291) 3.443 8.035 ( 4.321 1.282 3.073) 5.455 8.100 ( 5.992 -4.154 3.668) 8.162 8.273 ( 5.373 4.043 2.929) 7.334 8.332 ( 3.832 -1.824 2.556) 4.954 9.006 ( 0.422 -0.097 -1.848) 1.898 9.008 ( 0.883 -0.313 0.316) 0.989 9.055 ( 1.241 1.252 0.269) 1.783 9.077 ( 1.376 -0.902 2.559) 3.043 9.347 ( 0.849 -0.111 1.630) 1.842 9.351 ( 0.217 -0.510 1.107) 1.238 9.440 ( 0.917 0.909 3.822) 4.034 9.452 ( 1.042 -0.165 4.318) 4.445 9.504 ( 0.473 0.068 0.742) 0.882 9.510 ( 0.909 -0.479 2.588) 2.784 9.700 ( -0.458 2.592 -1.760) 3.166 9.741 ( -1.268 -1.457 -2.081) 2.839 9.990 ( 1.088 2.689 2.596) 3.893 10.039 ( 2.963 -1.906 2.592) 4.374 10.285 ( -1.836 0.838 -1.437) 2.478 10.312 ( -0.992 -1.818 -0.630) 2.165 10.457 ( 0.268 1.642 2.870) 3.317 10.471 ( 1.399 0.474 2.995) 3.339 10.666 ( -4.146 1.092 -2.979) 5.221 10.714 ( -0.765 -3.514 -3.628) 5.108 10.834 ( 0.339 2.505 -7.284) 7.710 10.881 ( -0.813 -2.232 -13.522) 13.730 10.986 ( -4.006 1.698 -5.701) 7.172 11.026 ( -4.308 -2.188 -7.405) 8.842 ======================= Grid point 42 (26/68) ======================= q-point: (-0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -9.112 30.642 16.501) 35.975 1.089 ( -21.332 30.167 7.449) 37.691 1.550 ( -18.020 -16.556 20.104) 31.670 1.592 ( -31.785 16.904 26.403) 44.644 1.649 ( -13.114 -30.121 4.307) 33.133 2.215 ( -11.725 -23.296 9.119) 27.628 2.470 ( -13.009 2.919 11.563) 17.648 2.683 ( -3.287 -9.816 2.932) 10.759 2.721 ( 2.792 11.584 0.660) 11.934 2.861 ( -4.169 15.817 -1.784) 16.455 2.943 ( 1.593 -7.746 1.154) 7.992 3.009 ( -2.887 -0.373 0.420) 2.941 3.119 ( 0.137 -4.234 -2.530) 4.934 3.249 ( -0.818 -7.817 -0.914) 7.913 3.336 ( 2.960 2.855 1.220) 4.289 3.372 ( 4.894 -0.508 1.064) 5.034 3.468 ( 2.740 2.236 0.390) 3.558 3.504 ( 0.244 4.198 -1.438) 4.444 3.553 ( 1.808 -2.813 -0.550) 3.389 3.567 ( -0.249 0.900 -0.059) 0.936 3.646 ( 2.591 -2.231 -7.543) 8.282 3.732 ( -0.466 -8.407 -7.161) 11.053 3.852 ( -1.140 4.231 -0.421) 4.402 3.907 ( -0.707 0.911 0.809) 1.409 3.938 ( 1.475 2.602 -0.779) 3.090 3.964 ( 1.314 -3.467 2.127) 4.274 4.025 ( -0.080 6.643 4.808) 8.201 4.109 ( -0.362 2.695 4.136) 4.950 4.139 ( 0.629 5.892 2.016) 6.259 4.198 ( -4.736 -0.076 2.347) 5.286 4.255 ( 0.298 1.013 -2.182) 2.424 4.317 ( -1.527 -0.725 1.379) 2.182 4.337 ( 2.454 -1.016 3.269) 4.211 4.416 ( -1.431 4.116 0.981) 4.467 4.439 ( -4.562 -2.378 -2.488) 5.714 4.507 ( 0.219 1.836 -2.854) 3.400 4.573 ( -2.329 -3.535 -4.464) 6.152 4.595 ( 1.347 -1.471 1.152) 2.304 4.646 ( 1.448 2.041 -1.434) 2.885 4.664 ( 6.959 -0.222 -2.418) 7.371 4.688 ( 0.679 0.103 -1.352) 1.517 4.709 ( 0.509 -1.780 -1.935) 2.678 4.831 ( -1.691 1.535 4.458) 5.009 4.860 ( -0.070 1.085 2.427) 2.660 5.071 ( 11.388 2.782 -8.987) 14.771 5.095 ( 7.557 -0.400 -7.095) 10.374 5.169 ( 9.977 -2.258 -8.394) 13.232 5.285 ( 7.754 0.167 -6.946) 10.411 5.323 ( 11.454 0.945 -8.362) 14.214 5.469 ( 3.199 4.937 -4.451) 7.377 5.504 ( -1.752 -16.372 4.268) 17.009 5.638 ( 6.273 6.009 -3.314) 9.298 5.724 ( 2.100 -7.689 -5.922) 9.930 5.827 ( 0.142 -1.674 -0.591) 1.781 5.919 ( -0.659 2.798 1.490) 3.238 6.079 ( -2.282 -3.894 1.398) 4.725 6.298 ( 1.359 8.758 -1.385) 8.971 6.356 ( -2.278 6.843 2.999) 7.811 6.445 ( -0.285 -4.775 1.762) 5.098 6.475 ( -2.552 -4.229 5.266) 7.220 6.649 ( 0.300 4.937 -0.589) 4.981 6.716 ( -8.234 2.539 4.301) 9.631 6.731 ( -3.971 -0.342 -1.719) 4.340 6.769 ( -6.378 -1.823 4.247) 7.877 6.786 ( -4.306 -1.719 -3.159) 5.610 6.827 ( -1.308 -7.150 1.347) 7.393 6.980 ( 3.337 2.772 3.375) 5.496 6.989 ( 3.576 1.479 1.406) 4.118 7.131 ( 0.210 2.143 0.813) 2.302 7.144 ( -2.389 1.041 -0.737) 2.708 7.152 ( -1.298 0.267 -1.234) 1.811 7.190 ( -1.860 -2.302 2.715) 4.016 7.365 ( 2.981 2.797 -3.446) 5.346 7.414 ( 3.587 -2.538 -3.445) 5.583 7.554 ( 4.656 2.328 -2.771) 5.897 7.585 ( 2.829 -1.207 -2.089) 3.718 7.727 ( -1.727 2.804 0.831) 3.396 7.775 ( -2.789 -1.883 1.779) 3.807 7.831 ( 0.126 2.974 -2.244) 3.728 7.866 ( -0.395 -1.273 0.037) 1.333 8.093 ( 0.554 3.030 -2.870) 4.210 8.185 ( 2.242 -3.009 -3.184) 4.921 8.353 ( 1.132 1.499 -3.360) 3.850 8.403 ( 2.548 -2.003 -4.222) 5.323 9.006 ( 1.074 0.790 -2.105) 2.492 9.023 ( 1.131 -1.032 -1.405) 2.078 9.076 ( -0.316 1.560 0.812) 1.787 9.108 ( -0.435 -1.629 0.210) 1.699 9.363 ( 0.333 0.223 0.582) 0.706 9.379 ( 0.665 -1.729 1.687) 2.505 9.484 ( 0.608 1.089 2.583) 2.868 9.502 ( 0.613 -0.734 3.609) 3.733 9.568 ( 3.117 1.937 7.886) 8.698 9.609 ( 3.241 -2.130 7.714) 8.634 9.686 ( 1.422 -0.757 3.922) 4.240 9.693 ( -1.522 -0.896 -1.048) 2.054 10.059 ( 5.051 4.643 2.083) 7.170 10.116 ( 3.359 -1.662 1.076) 3.899 10.228 ( -3.816 1.460 -1.623) 4.397 10.275 ( -5.112 -3.539 -3.002) 6.904 10.474 ( -1.772 1.984 -7.146) 7.625 10.488 ( -1.664 0.599 -4.990) 5.294 10.520 ( -5.007 1.432 -5.976) 7.927 10.564 ( -4.386 -2.358 -2.759) 5.692 10.792 ( 1.364 2.318 -4.061) 4.871 10.830 ( 2.897 -1.618 -2.504) 4.157 10.961 ( 2.207 3.191 5.833) 7.005 11.020 ( 4.120 -2.756 8.976) 10.254 ======================= Grid point 51 (27/68) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 7.634 0.000 34.739) 35.568 1.434 ( -9.361 0.000 34.575) 35.820 2.008 ( -7.447 0.000 2.250) 7.780 2.051 ( -12.509 0.000 27.250) 29.984 2.088 ( -8.040 0.000 17.215) 19.000 2.162 ( -6.621 0.000 28.229) 28.995 2.288 ( -16.078 0.000 14.897) 21.918 2.696 ( 4.942 0.000 1.935) 5.308 2.777 ( 3.202 0.000 -1.624) 3.591 3.036 ( -0.804 0.000 2.261) 2.400 3.080 ( -1.354 0.000 0.228) 1.373 3.149 ( -7.927 0.000 -3.800) 8.790 3.185 ( 4.930 0.000 -5.410) 7.320 3.243 ( 5.001 0.000 -1.928) 5.360 3.276 ( -2.837 0.000 -0.369) 2.861 3.383 ( -4.697 0.000 -1.121) 4.829 3.392 ( -0.776 0.000 -0.061) 0.779 3.533 ( 1.681 0.000 -1.620) 2.335 3.561 ( 5.271 0.000 4.176) 6.725 3.623 ( -0.392 0.000 4.569) 4.586 3.716 ( 1.970 0.000 0.321) 1.996 3.771 ( 1.750 0.000 0.433) 1.803 3.822 ( -1.179 0.000 -2.700) 2.947 3.853 ( 1.864 0.000 -2.942) 3.483 3.897 ( 3.842 0.000 5.231) 6.490 3.977 ( 3.779 0.000 1.801) 4.187 4.042 ( -5.456 0.000 -3.516) 6.490 4.108 ( -4.679 0.000 2.506) 5.308 4.126 ( -3.265 0.000 -0.751) 3.350 4.162 ( -2.894 0.000 3.239) 4.343 4.201 ( -8.568 0.000 2.589) 8.951 4.232 ( -5.626 0.000 -4.140) 6.985 4.281 ( -1.155 0.000 1.195) 1.662 4.388 ( 5.193 0.000 8.087) 9.610 4.422 ( -5.715 0.000 -5.063) 7.635 4.512 ( -1.728 0.000 -6.467) 6.694 4.525 ( -0.971 0.000 -0.732) 1.216 4.533 ( 6.573 0.000 9.119) 11.241 4.596 ( 6.933 0.000 -4.205) 8.108 4.620 ( 5.442 0.000 -2.572) 6.019 4.669 ( 12.872 0.000 -7.768) 15.034 4.762 ( 6.514 0.000 -4.130) 7.713 4.810 ( 11.595 0.000 -0.734) 11.618 4.950 ( -7.650 0.000 9.053) 11.853 5.152 ( -1.184 0.000 4.571) 4.722 5.241 ( 9.022 0.000 0.395) 9.030 5.290 ( 9.062 0.000 -1.807) 9.240 5.375 ( 13.372 0.000 -1.917) 13.509 5.450 ( 11.601 0.000 -4.350) 12.390 5.532 ( 7.587 0.000 0.254) 7.592 5.637 ( -2.166 0.000 -5.251) 5.680 5.639 ( 18.848 0.000 4.427) 19.361 5.933 ( 5.756 0.000 -0.641) 5.792 5.967 ( -3.686 0.000 0.051) 3.686 6.022 ( 3.109 0.000 -9.189) 9.701 6.083 ( 8.222 0.000 -8.533) 11.849 6.204 ( 4.582 0.000 7.542) 8.825 6.241 ( 3.411 0.000 6.642) 7.467 6.437 ( -5.739 0.000 -2.293) 6.181 6.442 ( -2.196 0.000 -6.846) 7.190 6.498 ( -6.041 0.000 -6.051) 8.550 6.553 ( -4.976 0.000 -3.245) 5.941 6.670 ( -5.882 0.000 3.363) 6.776 6.685 ( -9.873 0.000 5.585) 11.343 6.819 ( -1.022 0.000 0.900) 1.362 6.850 ( -6.667 0.000 -1.052) 6.749 6.931 ( -6.446 0.000 -1.057) 6.533 7.013 ( -2.538 0.000 -0.390) 2.568 7.079 ( 1.592 0.000 -0.131) 1.597 7.104 ( -2.639 0.000 1.613) 3.092 7.146 ( 1.843 0.000 0.820) 2.017 7.232 ( -1.199 0.000 1.488) 1.911 7.268 ( -0.393 0.000 -1.920) 1.959 7.413 ( 0.111 0.000 -2.926) 2.928 7.463 ( 2.957 0.000 -6.462) 7.107 7.547 ( -2.326 0.000 -3.340) 4.070 7.574 ( 1.900 0.000 -3.132) 3.663 7.643 ( -3.758 0.000 -3.114) 4.880 7.685 ( -7.600 0.000 -2.155) 7.900 7.784 ( -2.946 0.000 -6.634) 7.258 7.959 ( -4.213 0.000 -2.314) 4.806 8.066 ( 0.624 0.000 -3.598) 3.652 8.077 ( -7.047 0.000 -3.164) 7.724 8.247 ( -1.630 0.000 -4.546) 4.829 8.963 ( 1.883 0.000 -1.778) 2.590 8.992 ( -1.325 0.000 -1.666) 2.128 9.007 ( 1.429 0.000 -2.114) 2.552 9.036 ( -2.062 0.000 -2.369) 3.141 9.374 ( -0.896 0.000 1.426) 1.684 9.390 ( -0.390 0.000 0.621) 0.734 9.485 ( -3.295 0.000 0.192) 3.300 9.507 ( -4.824 0.000 0.209) 4.829 9.741 ( 3.349 0.000 3.794) 5.061 9.766 ( -2.182 0.000 5.733) 6.134 9.768 ( 5.136 0.000 3.114) 6.006 9.821 ( -6.524 0.000 1.179) 6.629 9.987 ( -2.540 0.000 1.778) 3.100 10.078 ( -3.606 0.000 -2.329) 4.292 10.158 ( 3.602 0.000 -1.784) 4.020 10.175 ( 5.376 0.000 -1.332) 5.539 10.339 ( 1.441 0.000 1.709) 2.235 10.424 ( -1.734 0.000 0.022) 1.734 10.518 ( 1.133 0.000 -1.145) 1.611 10.584 ( 2.442 0.000 -3.539) 4.300 10.845 ( 2.892 0.000 2.900) 4.096 10.932 ( 3.391 0.000 0.926) 3.515 11.259 ( 4.411 0.000 8.929) 9.959 11.495 ( 9.645 0.000 -0.173) 9.647 ======================= Grid point 52 (28/68) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.902 0.000 31.189) 31.324 1.868 ( 14.393 0.000 30.711) 33.916 1.939 ( -8.583 0.000 12.264) 14.970 1.980 ( 0.949 0.000 6.697) 6.764 2.057 ( -3.578 0.000 12.372) 12.879 2.137 ( -10.300 0.000 13.916) 17.313 2.540 ( 8.325 0.000 32.119) 33.180 2.772 ( -2.342 0.000 -0.781) 2.469 2.800 ( 4.549 0.000 2.391) 5.139 2.967 ( -7.241 0.000 -4.167) 8.354 3.041 ( -2.077 0.000 -3.442) 4.020 3.041 ( -0.071 0.000 -1.177) 1.179 3.163 ( -8.476 0.000 -9.554) 12.772 3.198 ( -3.144 0.000 -1.135) 3.343 3.232 ( 4.515 0.000 -9.280) 10.320 3.286 ( -1.529 0.000 -2.809) 3.198 3.392 ( -2.937 0.000 0.204) 2.944 3.523 ( -2.351 0.000 0.547) 2.414 3.630 ( -2.101 0.000 0.489) 2.157 3.649 ( 0.164 0.000 2.398) 2.404 3.757 ( -3.000 0.000 -5.691) 6.433 3.770 ( -0.411 0.000 0.840) 0.935 3.854 ( -0.037 0.000 6.436) 6.436 3.865 ( 5.520 0.000 3.014) 6.289 3.917 ( -1.602 0.000 -0.681) 1.741 3.939 ( 1.834 0.000 -2.021) 2.729 3.972 ( -2.744 0.000 -2.621) 3.795 4.064 ( -0.746 0.000 -2.471) 2.581 4.069 ( -4.205 0.000 0.349) 4.219 4.137 ( 0.216 0.000 -3.600) 3.606 4.140 ( 0.430 0.000 2.608) 2.643 4.230 ( 2.515 0.000 2.185) 3.332 4.292 ( -7.063 0.000 -3.824) 8.032 4.333 ( 2.003 0.000 2.380) 3.111 4.445 ( 0.221 0.000 1.593) 1.608 4.471 ( 3.108 0.000 3.346) 4.567 4.500 ( -1.090 0.000 0.785) 1.343 4.642 ( -0.732 0.000 0.774) 1.065 4.687 ( 4.721 0.000 -4.810) 6.740 4.719 ( 3.335 0.000 3.749) 5.018 4.831 ( 7.695 0.000 4.636) 8.984 4.881 ( 9.936 0.000 -1.847) 10.106 4.927 ( -0.609 0.000 8.183) 8.205 5.022 ( 8.715 0.000 6.687) 10.985 5.206 ( 3.114 0.000 2.407) 3.936 5.301 ( 0.539 0.000 -1.725) 1.807 5.342 ( 0.771 0.000 -3.959) 4.033 5.467 ( -3.499 0.000 -2.049) 4.055 5.543 ( 1.314 0.000 -8.765) 8.863 5.653 ( 15.125 0.000 2.995) 15.418 5.789 ( 12.379 0.000 -4.737) 13.254 5.852 ( -4.970 0.000 -1.895) 5.319 5.999 ( 10.014 0.000 -13.536) 16.838 6.036 ( 17.801 0.000 -1.417) 17.857 6.134 ( 1.235 0.000 -16.272) 16.319 6.139 ( 9.183 0.000 -1.304) 9.275 6.260 ( -1.398 0.000 0.121) 1.403 6.271 ( 0.414 0.000 1.702) 1.752 6.312 ( -7.101 0.000 7.189) 10.105 6.368 ( -4.263 0.000 -10.692) 11.511 6.423 ( 2.879 0.000 3.665) 4.661 6.480 ( -5.550 0.000 1.023) 5.643 6.562 ( -2.137 0.000 3.216) 3.861 6.588 ( -7.534 0.000 6.493) 9.946 6.763 ( -2.117 0.000 6.854) 7.173 6.787 ( -8.919 0.000 6.681) 11.144 6.840 ( 1.803 0.000 -4.417) 4.771 6.900 ( -7.628 0.000 -2.158) 7.927 7.086 ( -0.524 0.000 -2.042) 2.108 7.092 ( 0.231 0.000 -0.353) 0.422 7.184 ( 0.949 0.000 2.628) 2.794 7.224 ( -0.772 0.000 0.853) 1.151 7.250 ( 0.006 0.000 -1.332) 1.332 7.389 ( -0.547 0.000 -2.278) 2.343 7.415 ( -1.862 0.000 -7.643) 7.867 7.515 ( -0.664 0.000 -3.747) 3.806 7.547 ( -4.124 0.000 -5.078) 6.542 7.548 ( -2.957 0.000 -0.368) 2.980 7.599 ( 0.225 0.000 -2.337) 2.348 7.635 ( -5.852 0.000 -5.622) 8.114 7.896 ( -1.507 0.000 0.701) 1.662 7.989 ( -3.390 0.000 3.242) 4.691 8.062 ( 1.395 0.000 -2.829) 3.154 8.193 ( -1.480 0.000 -3.364) 3.675 8.967 ( -0.402 0.000 -1.127) 1.196 8.988 ( 2.120 0.000 -1.701) 2.718 8.990 ( -1.301 0.000 -1.709) 2.148 9.018 ( 1.402 0.000 -2.320) 2.711 9.374 ( -0.689 0.000 2.634) 2.723 9.389 ( -0.948 0.000 1.962) 2.179 9.423 ( -3.154 0.000 -0.038) 3.154 9.444 ( -2.720 0.000 0.650) 2.796 9.721 ( -4.624 0.000 2.820) 5.416 9.743 ( -4.897 0.000 2.935) 5.709 9.806 ( 0.518 0.000 3.239) 3.280 9.870 ( 2.857 0.000 2.890) 4.064 9.953 ( -1.979 0.000 1.721) 2.623 10.004 ( -2.353 0.000 -0.987) 2.552 10.227 ( 4.562 0.000 -1.797) 4.904 10.254 ( 4.473 0.000 -1.847) 4.839 10.369 ( 0.181 0.000 1.776) 1.785 10.406 ( -0.484 0.000 0.561) 0.741 10.526 ( 1.313 0.000 -2.411) 2.745 10.594 ( 2.251 0.000 -4.515) 5.045 10.907 ( 2.161 0.000 1.305) 2.525 10.992 ( 2.855 0.000 0.019) 2.855 11.348 ( -0.051 0.000 4.876) 4.876 11.555 ( -0.428 0.000 -3.172) 3.200 ======================= Grid point 53 (29/68) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 12.774 0.000 20.913) 24.505 1.982 ( 5.289 0.000 8.687) 10.170 2.093 ( 5.514 0.000 8.017) 9.730 2.132 ( 1.194 0.000 13.571) 13.623 2.153 ( 4.338 0.000 7.795) 8.920 2.332 ( 13.128 0.000 22.313) 25.888 2.706 ( -3.523 0.000 -1.859) 3.983 2.711 ( -4.204 0.000 7.730) 8.799 2.822 ( -1.793 0.000 -4.938) 5.254 2.894 ( 1.712 0.000 -2.777) 3.263 2.921 ( -8.318 0.000 -10.499) 13.395 2.968 ( -2.119 0.000 -3.940) 4.474 2.981 ( -5.350 0.000 -4.107) 6.745 3.177 ( -3.807 0.000 -2.908) 4.791 3.210 ( 2.358 0.000 -4.957) 5.489 3.256 ( 0.621 0.000 -9.866) 9.885 3.290 ( -2.334 0.000 1.486) 2.767 3.499 ( -1.007 0.000 0.788) 1.279 3.550 ( -8.956 0.000 -4.609) 10.072 3.590 ( -2.950 0.000 -0.524) 2.996 3.758 ( 3.527 0.000 2.853) 4.537 3.762 ( 0.787 0.000 -1.617) 1.798 3.793 ( -2.196 0.000 -7.679) 7.987 3.880 ( -0.753 0.000 -4.082) 4.151 3.914 ( 0.809 0.000 -2.624) 2.746 3.965 ( 1.749 0.000 4.155) 4.508 3.988 ( -3.675 0.000 1.105) 3.837 4.029 ( -3.291 0.000 6.405) 7.201 4.072 ( -2.140 0.000 -7.423) 7.725 4.154 ( -4.305 0.000 0.874) 4.393 4.165 ( 3.231 0.000 1.257) 3.467 4.233 ( 7.708 0.000 10.581) 13.091 4.247 ( 0.829 0.000 3.314) 3.416 4.330 ( 1.163 0.000 -4.789) 4.928 4.459 ( -3.445 0.000 0.400) 3.469 4.477 ( 2.350 0.000 0.141) 2.354 4.591 ( -1.035 0.000 -6.188) 6.274 4.627 ( 4.032 0.000 4.301) 5.895 4.736 ( -1.464 0.000 -0.156) 1.472 4.748 ( 3.056 0.000 2.476) 3.933 4.910 ( 0.874 0.000 -6.501) 6.559 5.030 ( 4.588 0.000 11.632) 12.504 5.031 ( 0.795 0.000 9.563) 9.596 5.157 ( -0.046 0.000 -0.158) 0.165 5.205 ( -1.717 0.000 -5.616) 5.873 5.305 ( 0.913 0.000 -3.954) 4.058 5.348 ( 3.766 0.000 2.285) 4.405 5.403 ( -1.101 0.000 -2.117) 2.386 5.553 ( 6.572 0.000 -4.809) 8.144 5.691 ( -10.567 0.000 -2.127) 10.779 5.777 ( -4.723 0.000 -12.774) 13.620 5.786 ( -4.746 0.000 -9.281) 10.424 6.041 ( 4.933 0.000 6.292) 7.995 6.089 ( -10.345 0.000 -0.151) 10.346 6.123 ( 0.391 0.000 -1.802) 1.843 6.210 ( 3.770 0.000 -7.363) 8.272 6.222 ( -0.113 0.000 -0.741) 0.750 6.302 ( 1.403 0.000 8.275) 8.393 6.315 ( -5.597 0.000 3.206) 6.450 6.336 ( 5.820 0.000 -2.792) 6.455 6.481 ( 1.534 0.000 1.858) 2.410 6.491 ( 12.306 0.000 -0.258) 12.309 6.554 ( 1.151 0.000 -0.167) 1.163 6.606 ( -0.500 0.000 0.764) 0.913 6.723 ( 1.186 0.000 2.664) 2.916 6.737 ( -8.965 0.000 1.928) 9.170 6.849 ( 6.908 0.000 1.044) 6.987 6.854 ( 0.680 0.000 0.774) 1.030 7.082 ( 1.255 0.000 0.406) 1.319 7.118 ( 2.773 0.000 1.070) 2.972 7.216 ( -0.354 0.000 0.438) 0.564 7.224 ( 1.779 0.000 3.127) 3.597 7.269 ( 0.841 0.000 5.103) 5.171 7.299 ( -3.686 0.000 -6.958) 7.874 7.376 ( -0.018 0.000 0.367) 0.368 7.416 ( -2.351 0.000 -0.638) 2.436 7.508 ( -1.048 0.000 0.695) 1.257 7.514 ( -1.229 0.000 -0.108) 1.233 7.569 ( -1.107 0.000 -1.190) 1.626 7.588 ( 0.038 0.000 -2.258) 2.259 7.898 ( 0.665 0.000 0.744) 0.997 7.975 ( -0.813 0.000 2.434) 2.566 8.069 ( 1.247 0.000 -2.522) 2.813 8.149 ( -0.823 0.000 -2.661) 2.786 8.959 ( 0.339 0.000 -1.326) 1.369 8.968 ( -0.035 0.000 -0.854) 0.855 9.009 ( 1.495 0.000 -1.771) 2.317 9.021 ( 0.695 0.000 -2.337) 2.438 9.380 ( -1.408 0.000 2.871) 3.198 9.385 ( -1.033 0.000 3.486) 3.636 9.387 ( -0.744 0.000 0.206) 0.772 9.418 ( -0.837 0.000 0.934) 1.255 9.659 ( -4.185 0.000 1.554) 4.464 9.675 ( -4.643 0.000 1.933) 5.029 9.794 ( -3.255 0.000 1.642) 3.646 9.848 ( -4.969 0.000 0.739) 5.024 9.985 ( 2.286 0.000 2.135) 3.128 10.002 ( 1.143 0.000 1.150) 1.621 10.279 ( 3.165 0.000 -2.935) 4.316 10.301 ( 2.419 0.000 -2.548) 3.513 10.374 ( -0.478 0.000 1.472) 1.547 10.409 ( 0.046 0.000 0.608) 0.610 10.538 ( 2.353 0.000 -3.196) 3.968 10.608 ( 2.910 0.000 -4.368) 5.248 10.932 ( 0.720 0.000 -1.669) 1.817 11.025 ( 1.823 0.000 -3.028) 3.534 11.330 ( -3.799 0.000 0.631) 3.851 11.474 ( -5.131 0.000 -3.987) 6.498 ======================= Grid point 54 (30/68) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 9.530 0.000 6.764) 11.687 2.174 ( -3.039 0.000 -1.195) 3.265 2.209 ( 13.441 0.000 8.631) 15.974 2.279 ( 7.938 0.000 11.295) 13.805 2.372 ( 13.848 0.000 1.879) 13.975 2.555 ( -0.739 0.000 7.376) 7.413 2.608 ( -8.515 0.000 -0.297) 8.521 2.632 ( -1.129 0.000 -4.599) 4.735 2.773 ( 3.261 0.000 -9.008) 9.580 2.790 ( 1.432 0.000 -5.224) 5.417 2.865 ( -0.746 0.000 -5.995) 6.041 2.888 ( 0.169 0.000 -3.240) 3.245 2.965 ( 2.273 0.000 1.457) 2.700 3.018 ( -5.879 0.000 -5.991) 8.394 3.186 ( 2.440 0.000 -10.190) 10.479 3.281 ( -5.487 0.000 -2.129) 5.885 3.312 ( 9.212 0.000 1.869) 9.399 3.344 ( -4.634 0.000 -1.444) 4.853 3.503 ( -3.959 0.000 -4.039) 5.656 3.545 ( 3.103 0.000 0.967) 3.250 3.686 ( -3.243 0.000 -7.702) 8.357 3.801 ( 3.103 0.000 -1.851) 3.613 3.804 ( 1.196 0.000 -8.806) 8.887 3.837 ( -1.269 0.000 0.444) 1.344 3.874 ( -8.458 0.000 -11.959) 14.647 3.893 ( -2.223 0.000 -1.788) 2.853 3.924 ( -2.270 0.000 -0.207) 2.279 4.002 ( 2.849 0.000 4.985) 5.742 4.092 ( -5.043 0.000 2.143) 5.480 4.113 ( -0.326 0.000 -4.933) 4.944 4.152 ( 5.328 0.000 9.862) 11.210 4.322 ( 2.110 0.000 -5.040) 5.464 4.365 ( 2.882 0.000 6.018) 6.672 4.387 ( -2.080 0.000 3.990) 4.500 4.511 ( -2.840 0.000 -2.384) 3.708 4.516 ( 1.510 0.000 0.016) 1.510 4.546 ( 6.621 0.000 13.308) 14.865 4.629 ( -3.865 0.000 -1.097) 4.018 4.718 ( 1.676 0.000 3.757) 4.114 4.766 ( -4.298 0.000 -1.088) 4.434 4.781 ( -7.482 0.000 -9.965) 12.461 4.984 ( -14.883 0.000 10.873) 18.431 5.026 ( -4.375 0.000 -10.316) 11.205 5.094 ( -6.236 0.000 -2.251) 6.630 5.220 ( 4.832 0.000 -5.785) 7.537 5.356 ( -2.781 0.000 -7.092) 7.617 5.356 ( 7.694 0.000 6.604) 10.140 5.403 ( -3.728 0.000 2.684) 4.593 5.501 ( -10.851 0.000 -7.358) 13.111 5.516 ( -5.478 0.000 -1.821) 5.773 5.601 ( -4.332 0.000 -9.782) 10.699 5.635 ( -0.457 0.000 -4.339) 4.363 5.913 ( -5.803 0.000 1.956) 6.124 6.115 ( -9.683 0.000 2.512) 10.003 6.139 ( -0.047 0.000 9.359) 9.359 6.216 ( 2.412 0.000 4.894) 5.456 6.223 ( 0.300 0.000 0.617) 0.686 6.262 ( 1.179 0.000 -0.807) 1.428 6.322 ( -3.451 0.000 7.552) 8.303 6.457 ( 3.236 0.000 -0.077) 3.237 6.480 ( -2.879 0.000 3.709) 4.695 6.584 ( 0.805 0.000 -4.118) 4.196 6.597 ( 1.054 0.000 2.291) 2.521 6.673 ( 3.069 0.000 6.949) 7.597 6.691 ( 8.181 0.000 -4.986) 9.580 6.775 ( 1.860 0.000 3.714) 4.154 6.919 ( 5.851 0.000 -0.390) 5.864 6.994 ( 10.325 0.000 -7.828) 12.957 7.111 ( 0.069 0.000 2.395) 2.395 7.151 ( 1.917 0.000 -4.647) 5.027 7.230 ( 2.912 0.000 -0.195) 2.918 7.280 ( 1.194 0.000 3.464) 3.664 7.283 ( 1.407 0.000 4.415) 4.634 7.348 ( 1.860 0.000 6.153) 6.428 7.402 ( 2.102 0.000 3.921) 4.449 7.442 ( 1.003 0.000 3.341) 3.489 7.496 ( -0.871 0.000 0.557) 1.034 7.504 ( 0.884 0.000 5.044) 5.121 7.573 ( -0.248 0.000 0.287) 0.379 7.574 ( 2.452 0.000 1.357) 2.803 7.920 ( 1.569 0.000 -0.051) 1.570 7.987 ( 0.367 0.000 1.513) 1.557 8.063 ( 0.492 0.000 -3.066) 3.105 8.144 ( 2.109 0.000 -1.200) 2.427 8.960 ( 0.834 0.000 -0.985) 1.291 8.977 ( 1.333 0.000 -0.194) 1.347 9.010 ( -0.084 0.000 -1.909) 1.911 9.013 ( 0.517 0.000 -1.942) 2.010 9.369 ( -1.797 0.000 2.839) 3.360 9.395 ( -1.169 0.000 4.033) 4.199 9.398 ( 1.479 0.000 0.483) 1.556 9.426 ( 0.599 0.000 1.418) 1.540 9.594 ( -3.907 0.000 0.717) 3.972 9.609 ( -3.857 0.000 0.825) 3.944 9.738 ( -3.453 0.000 0.256) 3.463 9.760 ( -4.104 0.000 -0.663) 4.157 10.024 ( 0.451 0.000 1.781) 1.837 10.028 ( 0.097 0.000 2.092) 2.094 10.295 ( 1.164 0.000 -3.848) 4.020 10.314 ( 1.911 0.000 -3.407) 3.906 10.382 ( 0.350 0.000 1.300) 1.346 10.419 ( 0.536 0.000 1.179) 1.295 10.564 ( 3.125 0.000 -3.265) 4.520 10.637 ( 3.484 0.000 -3.521) 4.953 10.907 ( -0.977 0.000 -4.710) 4.810 11.006 ( -0.071 0.000 -7.031) 7.031 11.236 ( -5.514 0.000 -2.979) 6.267 11.336 ( -6.435 0.000 -5.277) 8.322 ======================= Grid point 55 (31/68) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -18.018 0.000 -4.598) 18.596 2.084 ( -16.937 0.000 -6.849) 18.270 2.408 ( -4.483 0.000 4.783) 6.556 2.464 ( -5.314 0.000 5.100) 7.365 2.482 ( 3.642 0.000 -3.604) 5.124 2.544 ( 8.464 0.000 9.356) 12.616 2.610 ( 2.200 0.000 -7.943) 8.242 2.668 ( 11.089 0.000 -1.188) 11.152 2.793 ( -1.662 0.000 -3.295) 3.691 2.829 ( 3.644 0.000 -8.590) 9.331 2.899 ( 9.379 0.000 -0.342) 9.385 2.899 ( 7.182 0.000 -7.459) 10.354 2.965 ( 7.838 0.000 -8.259) 11.386 3.053 ( 4.745 0.000 7.555) 8.922 3.222 ( -3.055 0.000 2.752) 4.111 3.279 ( 3.704 0.000 -4.226) 5.620 3.290 ( 8.978 0.000 1.408) 9.088 3.429 ( 0.700 0.000 -7.803) 7.835 3.440 ( 4.095 0.000 -3.943) 5.685 3.587 ( -2.325 0.000 3.070) 3.851 3.591 ( -0.323 0.000 -1.141) 1.186 3.646 ( -4.980 0.000 -12.073) 13.060 3.764 ( -0.399 0.000 -5.275) 5.290 3.784 ( -2.641 0.000 -1.360) 2.970 3.811 ( 8.253 0.000 -12.014) 14.575 3.895 ( -0.576 0.000 -0.675) 0.887 3.965 ( 2.344 0.000 -12.133) 12.357 3.986 ( -6.996 0.000 3.246) 7.712 4.018 ( 6.501 0.000 7.509) 9.932 4.237 ( 6.690 0.000 9.454) 11.582 4.294 ( -0.751 0.000 -6.984) 7.025 4.311 ( 3.585 0.000 6.684) 7.584 4.410 ( -0.804 0.000 -0.058) 0.806 4.424 ( 1.549 0.000 2.531) 2.967 4.472 ( -2.401 0.000 4.866) 5.426 4.477 ( -10.418 0.000 -0.190) 10.419 4.522 ( -0.672 0.000 -1.017) 1.219 4.554 ( -3.871 0.000 4.679) 6.072 4.605 ( -6.571 0.000 -9.203) 11.308 4.622 ( -3.782 0.000 -2.610) 4.595 4.685 ( -18.727 0.000 11.359) 21.903 4.852 ( -7.409 0.000 -10.892) 13.173 4.879 ( -3.639 0.000 10.256) 10.883 5.014 ( -2.713 0.000 -1.086) 2.922 5.113 ( -15.562 0.000 -4.057) 16.082 5.208 ( -4.010 0.000 -4.097) 5.733 5.224 ( -3.296 0.000 -6.762) 7.522 5.314 ( -4.886 0.000 -9.127) 10.352 5.421 ( -4.781 0.000 -9.424) 10.568 5.533 ( 3.693 0.000 0.128) 3.696 5.564 ( -4.385 0.000 0.941) 4.485 5.647 ( 8.087 0.000 9.604) 12.555 5.907 ( 2.005 0.000 5.055) 5.439 5.939 ( -10.767 0.000 2.349) 11.021 6.117 ( -4.731 0.000 -2.219) 5.226 6.138 ( -4.093 0.000 -8.019) 9.003 6.321 ( -3.962 0.000 5.942) 7.142 6.336 ( 5.822 0.000 9.181) 10.871 6.360 ( 0.001 0.000 10.258) 10.258 6.456 ( 0.623 0.000 0.299) 0.691 6.461 ( -1.660 0.000 3.934) 4.270 6.601 ( 3.335 0.000 2.018) 3.898 6.650 ( 0.537 0.000 5.025) 5.053 6.750 ( 5.019 0.000 -5.665) 7.568 6.840 ( 8.604 0.000 2.000) 8.833 6.857 ( 3.330 0.000 3.247) 4.651 7.013 ( 4.413 0.000 1.114) 4.551 7.045 ( -0.515 0.000 -3.233) 3.274 7.132 ( 1.820 0.000 -1.023) 2.087 7.142 ( 2.616 0.000 -6.200) 6.730 7.227 ( -5.232 0.000 2.569) 5.829 7.301 ( -1.078 0.000 1.657) 1.977 7.383 ( 0.010 0.000 1.585) 1.585 7.390 ( 1.524 0.000 1.210) 1.946 7.457 ( 6.369 0.000 2.757) 6.940 7.465 ( 1.645 0.000 0.832) 1.843 7.481 ( -1.424 0.000 0.435) 1.489 7.643 ( 4.810 0.000 7.342) 8.777 7.649 ( 5.910 0.000 5.700) 8.210 7.670 ( 6.170 0.000 4.863) 7.856 7.962 ( 3.770 0.000 -0.285) 3.781 8.005 ( 0.418 0.000 1.575) 1.629 8.061 ( 1.833 0.000 -2.834) 3.375 8.202 ( 4.657 0.000 0.215) 4.662 8.975 ( 1.317 0.000 -0.143) 1.325 8.995 ( -0.094 0.000 -1.883) 1.885 9.003 ( -0.017 0.000 -1.676) 1.676 9.013 ( 2.561 0.000 0.480) 2.605 9.360 ( -1.297 0.000 2.645) 2.946 9.397 ( -1.497 0.000 3.119) 3.459 9.433 ( 1.408 0.000 0.827) 1.632 9.448 ( 0.368 0.000 2.033) 2.066 9.541 ( -2.442 0.000 1.187) 2.715 9.553 ( -2.701 0.000 0.540) 2.754 9.675 ( -2.354 0.000 -1.379) 2.728 9.725 ( 0.561 0.000 -1.163) 1.291 10.024 ( -1.536 0.000 2.080) 2.586 10.039 ( -0.640 0.000 2.682) 2.757 10.278 ( 0.429 0.000 -3.830) 3.854 10.321 ( 1.446 0.000 -3.329) 3.629 10.405 ( 1.252 0.000 0.806) 1.489 10.447 ( 0.993 0.000 2.918) 3.083 10.602 ( 3.860 0.000 -3.455) 5.180 10.677 ( 3.061 0.000 -2.359) 3.864 10.837 ( -2.233 0.000 -6.399) 6.777 10.919 ( -2.858 0.000 -10.696) 11.071 11.106 ( -5.555 0.000 -5.122) 7.557 11.183 ( -5.855 0.000 -6.174) 8.509 ======================= Grid point 56 (32/68) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -22.123 0.000 3.038) 22.331 1.602 ( -27.378 0.000 -6.763) 28.201 2.354 ( -3.829 0.000 7.180) 8.137 2.407 ( -5.833 0.000 9.182) 10.878 2.502 ( -2.563 0.000 1.633) 3.039 2.591 ( 4.086 0.000 -11.255) 11.974 2.642 ( -7.719 0.000 9.952) 12.595 2.718 ( -2.774 0.000 -2.744) 3.902 2.718 ( -6.034 0.000 -6.380) 8.781 2.844 ( 7.421 0.000 -0.126) 7.422 3.004 ( 3.639 0.000 0.547) 3.680 3.023 ( 7.119 0.000 -6.427) 9.591 3.094 ( -3.671 0.000 5.629) 6.720 3.142 ( 11.645 0.000 -5.021) 12.682 3.218 ( -3.530 0.000 -7.335) 8.140 3.280 ( 4.372 0.000 14.931) 15.558 3.438 ( 0.614 0.000 1.029) 1.198 3.463 ( -6.299 0.000 -1.585) 6.495 3.478 ( -1.871 0.000 -4.805) 5.156 3.504 ( 14.636 0.000 -0.643) 14.650 3.596 ( 1.975 0.000 -6.292) 6.595 3.748 ( 14.497 0.000 -0.464) 14.504 3.780 ( 5.764 0.000 -6.600) 8.762 3.780 ( 10.681 0.000 -5.067) 11.822 3.849 ( -1.211 0.000 -1.949) 2.295 3.908 ( 7.403 0.000 -7.280) 10.383 3.949 ( 8.712 0.000 -15.634) 17.897 3.982 ( 7.049 0.000 -2.995) 7.659 4.122 ( -3.493 0.000 -0.050) 3.493 4.191 ( -9.004 0.000 -1.328) 9.101 4.207 ( -6.514 0.000 -0.799) 6.563 4.312 ( -1.422 0.000 -0.571) 1.532 4.329 ( -10.953 0.000 1.534) 11.060 4.416 ( -1.929 0.000 -3.735) 4.203 4.448 ( -7.204 0.000 3.901) 8.193 4.453 ( 5.156 0.000 7.783) 9.336 4.477 ( -5.444 0.000 2.547) 6.010 4.538 ( 0.253 0.000 2.758) 2.770 4.566 ( 1.807 0.000 1.528) 2.367 4.584 ( -6.024 0.000 7.362) 9.513 4.658 ( 7.406 0.000 6.627) 9.938 4.675 ( 0.503 0.000 4.147) 4.177 4.805 ( -5.151 0.000 2.320) 5.649 4.853 ( -8.678 0.000 -8.073) 11.853 4.958 ( -5.135 0.000 0.972) 5.227 5.036 ( -7.370 0.000 -7.421) 10.459 5.116 ( -3.919 0.000 -8.121) 9.017 5.229 ( 0.226 0.000 -8.314) 8.317 5.256 ( -3.115 0.000 -10.734) 11.177 5.449 ( -9.479 0.000 5.130) 10.778 5.588 ( -8.394 0.000 8.286) 11.795 5.780 ( 1.368 0.000 5.626) 5.790 5.859 ( 3.627 0.000 -0.997) 3.761 5.980 ( -1.166 0.000 -4.816) 4.955 6.034 ( -0.385 0.000 -4.724) 4.739 6.067 ( 3.379 0.000 6.167) 7.032 6.200 ( -10.899 0.000 3.015) 11.309 6.348 ( -8.279 0.000 9.382) 12.513 6.491 ( 1.420 0.000 2.114) 2.547 6.501 ( 5.593 0.000 5.957) 8.171 6.541 ( 7.647 0.000 -3.281) 8.321 6.673 ( 0.136 0.000 0.484) 0.503 6.691 ( 5.101 0.000 0.821) 5.166 6.788 ( 2.956 0.000 -3.634) 4.684 6.940 ( 2.075 0.000 5.182) 5.582 6.961 ( 0.098 0.000 2.900) 2.902 6.984 ( -1.359 0.000 -1.090) 1.742 7.053 ( -2.136 0.000 2.206) 3.071 7.136 ( -0.557 0.000 0.173) 0.583 7.146 ( -2.750 0.000 0.821) 2.870 7.195 ( 6.695 0.000 -5.050) 8.386 7.263 ( -3.750 0.000 0.428) 3.774 7.349 ( -4.061 0.000 1.726) 4.413 7.386 ( 0.147 0.000 -0.712) 0.727 7.468 ( -1.710 0.000 3.108) 3.547 7.489 ( 2.112 0.000 -2.266) 3.098 7.636 ( 8.217 0.000 -0.052) 8.217 7.720 ( 0.729 0.000 1.287) 1.479 7.771 ( 4.114 0.000 4.067) 5.785 7.829 ( 5.869 0.000 3.090) 6.633 8.024 ( 0.640 0.000 1.830) 1.939 8.072 ( 8.788 0.000 -0.767) 8.821 8.083 ( 2.493 0.000 -2.849) 3.786 8.295 ( 4.894 0.000 0.039) 4.894 8.975 ( -0.374 0.000 -2.351) 2.381 8.997 ( 0.441 0.000 -1.450) 1.515 9.004 ( 1.841 0.000 0.279) 1.862 9.069 ( 2.926 0.000 0.624) 2.991 9.369 ( 0.291 0.000 3.042) 3.056 9.386 ( -1.294 0.000 1.483) 1.968 9.454 ( 0.474 0.000 1.745) 1.808 9.477 ( 1.262 0.000 2.904) 3.166 9.522 ( -0.926 0.000 1.649) 1.891 9.547 ( 1.107 0.000 4.110) 4.257 9.648 ( 0.029 0.000 -1.542) 1.542 9.737 ( 1.029 0.000 -1.940) 2.196 10.012 ( -1.567 0.000 2.846) 3.249 10.054 ( 0.497 0.000 3.106) 3.146 10.264 ( 0.496 0.000 -2.660) 2.706 10.321 ( 0.922 0.000 -2.149) 2.338 10.426 ( 0.677 0.000 -1.005) 1.211 10.489 ( 0.609 0.000 3.803) 3.852 10.644 ( 3.505 0.000 -6.929) 7.765 10.692 ( -0.583 0.000 -2.646) 2.710 10.757 ( -1.572 0.000 -4.528) 4.793 10.767 ( -4.108 0.000 -10.321) 11.109 10.982 ( -4.127 0.000 -3.935) 5.702 11.059 ( -3.330 0.000 -3.697) 4.976 ======================= Grid point 57 (33/68) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -19.501 0.000 15.203) 24.727 1.249 ( -19.332 0.000 16.792) 25.606 2.355 ( -5.594 0.000 12.026) 13.263 2.395 ( -18.248 0.000 16.537) 24.627 2.405 ( -1.982 0.000 8.034) 8.275 2.456 ( -16.640 0.000 8.425) 18.651 2.484 ( -14.217 0.000 -1.687) 14.317 2.614 ( 4.115 0.000 -5.423) 6.808 2.628 ( -6.823 0.000 4.040) 7.929 2.964 ( 4.142 0.000 2.844) 5.024 3.044 ( -1.866 0.000 2.131) 2.832 3.080 ( 5.176 0.000 -2.854) 5.910 3.093 ( 5.786 0.000 2.011) 6.125 3.168 ( 0.107 0.000 -2.080) 2.083 3.315 ( 5.543 0.000 -3.079) 6.341 3.383 ( -2.655 0.000 -4.978) 5.642 3.417 ( 2.419 0.000 11.333) 11.588 3.441 ( 4.706 0.000 0.305) 4.716 3.464 ( 3.374 0.000 -4.012) 5.242 3.613 ( 1.010 0.000 -0.450) 1.106 3.651 ( 1.329 0.000 1.163) 1.766 3.775 ( -0.939 0.000 -11.909) 11.946 3.859 ( 4.367 0.000 -0.306) 4.377 3.870 ( -0.488 0.000 -0.685) 0.841 3.950 ( -6.856 0.000 -6.282) 9.299 3.960 ( 1.259 0.000 2.651) 2.935 3.999 ( 9.594 0.000 -5.650) 11.134 4.066 ( -5.309 0.000 5.841) 7.893 4.096 ( 4.074 0.000 2.896) 4.998 4.142 ( 14.386 0.000 -8.688) 16.805 4.167 ( 7.528 0.000 1.491) 7.674 4.264 ( 10.100 0.000 -11.542) 15.337 4.321 ( 2.321 0.000 -7.392) 7.748 4.335 ( -6.128 0.000 5.730) 8.389 4.366 ( -2.592 0.000 2.255) 3.435 4.421 ( -1.935 0.000 -4.220) 4.642 4.424 ( 3.351 0.000 -5.820) 6.716 4.537 ( -2.629 0.000 1.552) 3.052 4.595 ( -2.310 0.000 -0.758) 2.431 4.648 ( -3.970 0.000 -2.705) 4.804 4.719 ( -5.040 0.000 -1.339) 5.215 4.749 ( 8.445 0.000 6.146) 10.445 4.818 ( 5.783 0.000 6.528) 8.721 4.821 ( -9.792 0.000 -0.215) 9.795 4.870 ( 8.071 0.000 6.151) 10.148 4.925 ( 0.445 0.000 -6.672) 6.687 5.019 ( 2.116 0.000 -7.343) 7.642 5.180 ( -2.481 0.000 1.298) 2.800 5.218 ( 4.467 0.000 -3.319) 5.565 5.365 ( -0.509 0.000 0.763) 0.918 5.423 ( -11.839 0.000 3.877) 12.457 5.800 ( -2.242 0.000 3.032) 3.771 5.905 ( 2.295 0.000 -0.040) 2.296 5.946 ( 0.360 0.000 1.385) 1.431 6.017 ( -10.903 0.000 4.601) 11.834 6.084 ( 4.542 0.000 -1.825) 4.895 6.145 ( 2.584 0.000 -5.999) 6.532 6.235 ( -9.397 0.000 6.201) 11.259 6.515 ( 0.497 0.000 -0.533) 0.729 6.564 ( 0.769 0.000 -0.570) 0.957 6.658 ( 4.690 0.000 -1.714) 4.993 6.670 ( -0.358 0.000 -0.379) 0.522 6.791 ( 6.265 0.000 -1.224) 6.383 6.811 ( 2.518 0.000 -3.017) 3.930 6.873 ( -5.398 0.000 -0.754) 5.451 6.938 ( -6.682 0.000 2.873) 7.274 7.006 ( -1.681 0.000 4.907) 5.187 7.027 ( -2.521 0.000 6.986) 7.427 7.121 ( -1.235 0.000 -0.443) 1.312 7.131 ( -0.342 0.000 -0.149) 0.373 7.198 ( -3.274 0.000 0.827) 3.377 7.281 ( -0.097 0.000 -0.529) 0.538 7.310 ( 5.022 0.000 -3.223) 5.967 7.371 ( -1.896 0.000 -0.806) 2.060 7.449 ( -1.974 0.000 1.705) 2.608 7.519 ( 3.191 0.000 -3.069) 4.428 7.694 ( -0.166 0.000 -3.963) 3.967 7.731 ( 0.789 0.000 -0.187) 0.811 7.835 ( 1.082 0.000 0.538) 1.208 7.891 ( 0.412 0.000 -0.967) 1.051 8.053 ( 1.547 0.000 -0.791) 1.738 8.098 ( 1.525 0.000 -3.536) 3.851 8.214 ( 7.912 0.000 -5.899) 9.869 8.347 ( 1.536 0.000 -2.882) 3.266 8.955 ( 0.119 0.000 -2.304) 2.307 8.995 ( 0.695 0.000 -1.756) 1.888 9.035 ( 1.583 0.000 -1.342) 2.075 9.105 ( 0.977 0.000 -1.299) 1.626 9.377 ( -0.719 0.000 1.445) 1.614 9.405 ( 0.819 0.000 1.060) 1.339 9.488 ( 1.573 0.000 2.792) 3.205 9.542 ( 3.121 0.000 4.454) 5.439 9.562 ( 3.128 0.000 5.773) 6.566 9.636 ( -0.669 0.000 -0.858) 1.089 9.674 ( 9.033 0.000 8.088) 12.125 9.713 ( -1.955 0.000 -2.271) 2.996 10.010 ( -1.013 0.000 2.978) 3.146 10.101 ( 2.217 0.000 2.066) 3.030 10.242 ( -1.675 0.000 -2.238) 2.795 10.323 ( -0.497 0.000 -4.423) 4.451 10.394 ( -1.924 0.000 -4.951) 5.311 10.498 ( -6.307 0.000 -10.854) 12.553 10.501 ( -1.656 0.000 1.765) 2.420 10.624 ( -3.603 0.000 -3.895) 5.306 10.739 ( 0.939 0.000 -0.136) 0.949 10.762 ( 4.467 0.000 -0.054) 4.467 10.950 ( 1.625 0.000 4.443) 4.731 11.053 ( 3.273 0.000 3.581) 4.851 ======================= Grid point 58 (34/68) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -6.886 0.000 30.861) 31.620 1.214 ( 0.416 0.000 36.946) 36.948 2.103 ( -30.224 0.000 39.253) 49.541 2.199 ( -13.349 0.000 -2.246) 13.536 2.232 ( -16.654 0.000 13.953) 21.727 2.297 ( -11.070 0.000 8.784) 14.132 2.422 ( -8.565 0.000 13.506) 15.993 2.614 ( 2.612 0.000 0.702) 2.704 2.689 ( 6.633 0.000 -1.274) 6.755 3.039 ( 0.304 0.000 4.747) 4.757 3.066 ( 2.054 0.000 0.578) 2.134 3.134 ( 3.497 0.000 -1.734) 3.903 3.147 ( 1.278 0.000 -2.014) 2.386 3.212 ( 2.827 0.000 3.508) 4.505 3.296 ( -0.358 0.000 -4.544) 4.558 3.401 ( 3.519 0.000 -0.955) 3.646 3.466 ( -2.172 0.000 2.833) 3.570 3.507 ( 3.044 0.000 -0.576) 3.098 3.551 ( -6.168 0.000 -4.621) 7.707 3.591 ( 1.617 0.000 7.350) 7.526 3.627 ( 3.292 0.000 0.583) 3.343 3.727 ( 4.285 0.000 -5.857) 7.257 3.814 ( -1.728 0.000 -1.784) 2.484 3.826 ( -0.624 0.000 1.713) 1.823 3.904 ( -1.972 0.000 4.296) 4.727 3.963 ( -5.699 0.000 2.995) 6.438 4.058 ( 1.282 0.000 2.566) 2.869 4.150 ( 3.995 0.000 -0.463) 4.021 4.173 ( 6.209 0.000 10.488) 12.188 4.221 ( -3.851 0.000 -1.833) 4.266 4.225 ( -3.805 0.000 -0.706) 3.870 4.308 ( -2.499 0.000 -0.452) 2.539 4.358 ( 2.391 0.000 -7.707) 8.070 4.366 ( -4.615 0.000 -1.944) 5.008 4.375 ( 6.046 0.000 0.984) 6.125 4.437 ( 7.908 0.000 -5.047) 9.381 4.502 ( 8.140 0.000 -9.209) 12.291 4.519 ( 8.811 0.000 -4.631) 9.954 4.544 ( 5.843 0.000 -7.893) 9.820 4.593 ( -0.268 0.000 -0.519) 0.584 4.597 ( -4.087 0.000 -9.828) 10.644 4.660 ( -2.653 0.000 1.233) 2.925 4.765 ( -3.763 0.000 -6.932) 7.888 4.977 ( 1.232 0.000 11.006) 11.075 5.044 ( 9.013 0.000 2.786) 9.434 5.080 ( 13.174 0.000 1.993) 13.324 5.118 ( 9.216 0.000 0.089) 9.217 5.199 ( 8.867 0.000 0.062) 8.867 5.263 ( -5.224 0.000 0.751) 5.277 5.357 ( 9.953 0.000 2.370) 10.231 5.437 ( 6.557 0.000 -1.706) 6.775 5.749 ( -5.947 0.000 0.847) 6.007 5.881 ( -3.154 0.000 3.031) 4.375 5.982 ( 5.554 0.000 1.099) 5.662 6.048 ( 4.776 0.000 7.582) 8.961 6.051 ( -5.848 0.000 0.293) 5.855 6.094 ( -0.205 0.000 -11.233) 11.234 6.182 ( 0.289 0.000 1.174) 1.209 6.499 ( -0.585 0.000 -3.696) 3.742 6.529 ( -3.136 0.000 -2.431) 3.968 6.648 ( -4.439 0.000 -3.286) 5.523 6.649 ( -1.394 0.000 -3.177) 3.469 6.749 ( -4.332 0.000 -1.481) 4.578 6.807 ( -8.127 0.000 2.811) 8.599 6.833 ( -0.464 0.000 0.238) 0.522 6.905 ( 2.910 0.000 -0.849) 3.031 7.006 ( -1.032 0.000 3.485) 3.635 7.019 ( -4.031 0.000 5.644) 6.935 7.079 ( -2.036 0.000 -1.642) 2.616 7.119 ( 0.722 0.000 -1.441) 1.612 7.163 ( -3.276 0.000 2.481) 4.109 7.249 ( -2.205 0.000 1.932) 2.932 7.308 ( -3.560 0.000 -0.515) 3.597 7.407 ( 7.112 0.000 -5.402) 8.931 7.430 ( -0.545 0.000 -1.060) 1.192 7.552 ( 2.950 0.000 -3.281) 4.412 7.634 ( -2.584 0.000 -5.356) 5.947 7.712 ( -2.063 0.000 -1.515) 2.560 7.809 ( -3.653 0.000 -1.897) 4.116 7.856 ( -1.888 0.000 -3.444) 3.927 8.037 ( -2.024 0.000 -2.790) 3.446 8.087 ( 0.348 0.000 -3.911) 3.927 8.219 ( -1.223 0.000 -10.000) 10.074 8.313 ( -1.501 0.000 -5.210) 5.422 8.950 ( 1.021 0.000 -2.030) 2.273 8.999 ( 1.123 0.000 -1.923) 2.227 9.029 ( -0.639 0.000 -2.624) 2.700 9.086 ( -1.268 0.000 -2.617) 2.907 9.377 ( -0.504 0.000 1.366) 1.456 9.402 ( -0.633 0.000 -0.947) 1.139 9.521 ( -0.781 0.000 1.592) 1.773 9.593 ( -4.267 0.000 1.312) 4.465 9.646 ( 4.164 0.000 3.571) 5.485 9.681 ( 1.710 0.000 -0.060) 1.711 9.691 ( 4.343 0.000 7.979) 9.085 9.889 ( 5.412 0.000 0.383) 5.426 10.009 ( -1.515 0.000 2.391) 2.831 10.132 ( -0.152 0.000 -1.061) 1.072 10.143 ( -6.140 0.000 -5.049) 7.950 10.176 ( -2.792 0.000 -2.697) 3.882 10.328 ( -1.060 0.000 -2.293) 2.526 10.464 ( -2.617 0.000 0.055) 2.618 10.488 ( 3.611 0.000 -0.376) 3.630 10.566 ( -0.120 0.000 -0.878) 0.886 10.776 ( 2.427 0.000 2.159) 3.248 10.854 ( 4.886 0.000 0.695) 4.935 11.087 ( 6.190 0.000 10.447) 12.143 11.238 ( 12.867 0.000 7.342) 14.814 ======================= Grid point 59 (35/68) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 2.165 2.430 30.012) 30.188 1.565 ( -8.125 -14.998 17.741) 24.611 1.613 ( -12.928 3.913 29.573) 32.512 1.843 ( -18.395 -14.093 26.284) 35.041 2.390 ( 1.530 19.241 30.472) 36.070 2.440 ( -5.580 16.119 14.754) 22.553 2.613 ( -9.386 11.629 4.291) 15.548 2.697 ( -1.423 7.147 -0.294) 7.293 2.825 ( -0.377 4.053 4.078) 5.762 2.900 ( 2.492 -10.855 8.885) 14.247 2.972 ( 0.406 -12.212 0.664) 12.237 3.084 ( -3.490 -13.191 -4.322) 14.313 3.136 ( 1.539 -1.515 -0.189) 2.168 3.145 ( 3.513 -0.571 -1.447) 3.842 3.330 ( 0.198 4.047 -1.196) 4.225 3.420 ( -1.115 -1.181 -0.634) 1.744 3.437 ( -5.615 2.394 1.041) 6.192 3.487 ( 1.365 -0.556 -0.217) 1.490 3.531 ( 2.503 -5.553 3.318) 6.936 3.553 ( 0.280 -4.144 -1.757) 4.510 3.706 ( 6.699 1.093 3.774) 7.766 3.733 ( 5.104 -2.096 1.503) 5.718 3.779 ( 0.415 3.342 -1.404) 3.648 3.877 ( 0.474 -5.149 1.190) 5.306 3.915 ( -0.313 2.352 -0.516) 2.428 3.977 ( -4.047 -1.467 -3.383) 5.475 4.007 ( -0.662 1.503 -0.421) 1.696 4.078 ( 2.196 -3.167 0.031) 3.854 4.105 ( -6.171 -0.108 -1.468) 6.345 4.118 ( -6.487 -2.367 -0.530) 6.926 4.211 ( -5.966 2.012 0.327) 6.305 4.250 ( -5.128 -0.477 -1.707) 5.425 4.347 ( -0.756 4.766 -0.540) 4.856 4.402 ( -4.338 -1.976 -4.185) 6.343 4.418 ( -0.333 0.763 -1.733) 1.922 4.452 ( -1.528 -0.311 -0.236) 1.577 4.534 ( 3.794 -0.338 1.417) 4.064 4.563 ( 5.030 -3.120 -1.972) 6.239 4.635 ( 2.218 4.099 -4.232) 6.296 4.678 ( 12.011 2.532 -3.065) 12.652 4.689 ( 14.613 0.439 -6.474) 15.989 4.706 ( 3.529 -1.835 -0.883) 4.075 4.950 ( -3.224 5.347 7.885) 10.058 5.028 ( 0.592 5.532 9.198) 10.750 5.104 ( -0.170 4.996 1.047) 5.107 5.216 ( 11.838 -0.217 -1.341) 11.915 5.316 ( 14.751 -1.864 -2.271) 15.041 5.397 ( 9.884 5.532 1.221) 11.393 5.462 ( 2.450 -3.619 -0.479) 4.397 5.506 ( 13.097 -8.406 3.452) 15.941 5.659 ( 12.570 1.460 0.206) 12.657 5.714 ( 0.622 2.940 0.887) 3.133 5.800 ( 6.928 5.969 -0.167) 9.146 5.899 ( 5.520 -4.806 -8.584) 11.280 5.952 ( 8.380 -9.064 -2.608) 12.617 5.997 ( -1.870 -7.489 -4.273) 8.823 6.293 ( 1.783 6.764 -0.971) 7.062 6.338 ( 1.084 5.912 -1.637) 6.230 6.398 ( -3.338 -2.912 -2.704) 5.190 6.441 ( -1.450 -3.222 -6.890) 7.743 6.534 ( -8.650 3.944 0.296) 9.511 6.606 ( -2.311 3.251 0.902) 4.089 6.623 ( -5.099 -1.140 0.410) 5.241 6.715 ( -0.193 -2.737 1.725) 3.241 6.760 ( -8.961 2.185 4.890) 10.440 6.855 ( -5.089 -5.109 1.145) 7.301 6.936 ( -6.664 2.518 -1.184) 7.221 6.980 ( -3.459 -1.957 -2.349) 4.617 7.099 ( -0.146 0.954 0.295) 1.009 7.113 ( -2.852 -0.083 1.269) 3.123 7.171 ( 0.941 2.933 1.597) 3.469 7.221 ( -0.842 -1.532 1.336) 2.200 7.310 ( 1.783 3.063 -3.954) 5.310 7.368 ( 2.061 -2.967 -3.919) 5.330 7.512 ( 1.717 2.764 -5.799) 6.650 7.546 ( 0.693 -0.468 -3.759) 3.851 7.617 ( -4.424 1.524 -4.240) 6.315 7.653 ( -3.738 2.856 -3.491) 5.858 7.657 ( -5.807 -0.732 -4.166) 7.184 7.756 ( -3.649 -3.465 -7.706) 9.204 7.961 ( -4.047 0.816 -0.671) 4.183 8.005 ( -4.318 -3.428 -0.979) 5.599 8.149 ( -1.812 4.379 -4.494) 6.531 8.221 ( -1.659 -2.690 -4.721) 5.681 8.975 ( 1.576 0.982 -1.837) 2.612 8.990 ( 0.218 -0.421 -1.742) 1.806 9.011 ( -0.307 0.585 -2.195) 2.292 9.027 ( -1.697 -0.816 -2.401) 3.051 9.378 ( -0.793 0.418 1.314) 1.591 9.387 ( -0.539 -0.366 0.928) 1.134 9.493 ( -3.694 0.639 0.131) 3.751 9.503 ( -4.453 -0.386 0.165) 4.473 9.734 ( 2.484 -0.002 4.274) 4.943 9.747 ( 2.956 -1.129 3.999) 5.100 9.796 ( -1.218 1.808 3.892) 4.461 9.821 ( -3.647 -0.503 2.196) 4.287 10.006 ( -3.189 1.929 0.388) 3.747 10.051 ( -3.628 -2.323 -1.644) 4.611 10.165 ( 4.185 0.524 -1.590) 4.508 10.173 ( 4.981 -0.260 -1.401) 5.181 10.359 ( 0.854 1.905 1.306) 2.462 10.401 ( -0.630 -2.093 0.499) 2.242 10.535 ( 1.199 1.481 -1.575) 2.473 10.566 ( 1.968 -1.564 -2.677) 3.672 10.866 ( 3.087 1.965 2.353) 4.350 10.908 ( 3.368 -2.106 1.480) 4.239 11.307 ( 5.184 4.751 7.446) 10.242 11.422 ( 7.748 -6.237 3.325) 10.487 ======================= Grid point 60 (36/68) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -1.052 4.452 27.059) 27.443 1.673 ( 3.988 -9.276 20.619) 22.958 1.748 ( 7.275 -6.477 30.111) 31.648 1.801 ( -4.177 -9.553 25.707) 27.741 2.349 ( -6.483 14.267 8.305) 17.736 2.447 ( -8.690 20.418 0.291) 22.192 2.618 ( -3.668 -7.972 3.827) 9.574 2.743 ( 0.079 6.630 14.472) 15.919 2.855 ( 1.647 1.033 4.919) 5.289 2.924 ( -1.268 -7.522 -6.825) 10.235 2.972 ( 0.538 0.146 -2.499) 2.560 3.030 ( 2.173 -3.632 -0.226) 4.239 3.084 ( -4.387 2.197 -4.648) 6.759 3.190 ( 0.384 -4.849 -5.388) 7.259 3.289 ( -4.540 1.548 -2.108) 5.239 3.350 ( -3.811 4.543 1.942) 6.239 3.381 ( -1.751 1.744 -2.658) 3.630 3.494 ( 0.752 0.197 0.699) 1.046 3.572 ( -1.023 -7.450 2.586) 7.952 3.581 ( 0.511 -5.548 0.605) 5.605 3.705 ( -1.499 -0.452 -3.426) 3.767 3.748 ( -2.003 -4.608 -1.793) 5.335 3.844 ( 1.574 1.874 3.491) 4.263 3.873 ( -1.768 2.464 1.124) 3.234 3.945 ( -1.106 2.345 -2.059) 3.311 4.017 ( 7.712 2.789 2.845) 8.680 4.039 ( -0.808 -2.722 4.181) 5.054 4.044 ( 1.829 -0.113 0.284) 1.854 4.060 ( -0.207 4.004 3.322) 5.207 4.105 ( 0.389 -0.853 0.724) 1.185 4.149 ( -0.412 -0.597 0.032) 0.726 4.191 ( 2.496 -4.605 4.371) 6.822 4.301 ( -4.458 1.036 -1.828) 4.928 4.323 ( -2.038 -0.564 -0.477) 2.167 4.382 ( 0.069 -1.175 -2.966) 3.191 4.417 ( -1.032 -2.566 -0.952) 2.925 4.576 ( -2.084 5.863 0.136) 6.224 4.642 ( 3.563 0.088 -0.543) 3.605 4.662 ( 4.517 -1.732 -2.396) 5.398 4.691 ( -1.383 -4.302 0.691) 4.572 4.866 ( 8.840 1.998 -3.003) 9.547 4.879 ( 8.595 0.355 -1.268) 8.696 4.951 ( 0.141 2.920 4.483) 5.352 5.077 ( 1.254 -8.824 1.924) 9.118 5.202 ( 3.906 11.986 8.550) 15.232 5.281 ( -0.515 0.397 -3.169) 3.235 5.426 ( 1.609 1.868 -1.789) 3.046 5.456 ( -0.304 1.168 -0.932) 1.525 5.618 ( 8.044 2.077 -2.958) 8.818 5.699 ( 5.912 -4.985 -1.659) 7.909 5.731 ( 4.742 6.730 -0.119) 8.234 5.869 ( -1.312 -1.315 -8.989) 9.179 5.946 ( 15.805 -2.536 -5.255) 16.848 5.993 ( 17.022 -3.782 -0.804) 17.456 6.062 ( 9.552 -3.487 -5.423) 11.524 6.077 ( 7.183 -3.261 -7.198) 10.679 6.282 ( -6.060 0.648 0.953) 6.169 6.291 ( -5.775 0.024 1.533) 5.975 6.323 ( -1.103 1.833 -0.229) 2.152 6.353 ( 0.053 -1.025 -4.617) 4.730 6.456 ( -0.090 3.241 1.299) 3.493 6.510 ( -5.607 -1.135 -1.484) 5.910 6.600 ( -7.749 4.449 1.890) 9.133 6.626 ( -5.257 2.538 5.080) 7.738 6.739 ( -1.956 -0.875 5.246) 5.667 6.780 ( 0.099 -3.109 -4.613) 5.564 6.832 ( -3.836 1.505 5.114) 6.568 6.877 ( -6.176 -2.305 0.622) 6.621 7.076 ( -0.952 0.187 -0.005) 0.970 7.090 ( -0.485 -0.731 -1.557) 1.787 7.197 ( 0.251 1.131 1.994) 2.306 7.217 ( -0.782 -0.711 0.837) 1.348 7.300 ( 0.195 3.647 -3.544) 5.089 7.359 ( 0.080 -2.398 -4.171) 4.812 7.445 ( -3.065 2.638 -6.296) 7.483 7.502 ( -3.239 -2.457 -7.458) 8.494 7.533 ( -2.212 0.491 -0.904) 2.439 7.549 ( -3.331 -0.588 -1.586) 3.736 7.601 ( -0.070 0.500 -2.556) 2.606 7.621 ( -3.692 -1.229 -4.116) 5.664 7.909 ( -1.763 1.586 1.755) 2.950 7.953 ( -2.401 -2.622 2.941) 4.614 8.111 ( 0.034 3.565 -3.083) 4.713 8.170 ( -1.060 -2.279 -3.370) 4.204 8.969 ( -0.538 0.319 -1.158) 1.316 8.978 ( -0.511 -0.552 -1.272) 1.478 9.002 ( 1.321 0.749 -2.191) 2.666 9.014 ( 1.441 -0.421 -2.350) 2.788 9.376 ( -0.935 0.267 2.295) 2.492 9.383 ( -1.103 -0.448 1.944) 2.280 9.432 ( -2.847 0.713 0.380) 2.959 9.442 ( -2.703 -0.292 0.661) 2.797 9.725 ( -4.436 0.414 2.967) 5.353 9.736 ( -4.592 -0.623 3.032) 5.538 9.825 ( 0.586 1.730 2.892) 3.420 9.858 ( 1.738 -1.309 2.739) 3.498 9.963 ( -1.729 1.031 1.173) 2.330 9.989 ( -1.980 -1.371 -0.198) 2.417 10.236 ( 4.524 0.800 -1.839) 4.949 10.250 ( 4.494 -0.493 -1.846) 4.883 10.377 ( -0.073 0.777 1.448) 1.645 10.396 ( -0.427 -0.941 0.836) 1.329 10.545 ( 1.690 1.694 -2.870) 3.737 10.579 ( 2.134 -1.523 -3.926) 4.721 10.928 ( 2.348 1.988 0.978) 3.228 10.970 ( 2.696 -2.001 0.354) 3.376 11.391 ( -0.052 4.316 3.393) 5.491 11.494 ( -0.213 -5.407 -0.515) 5.436 ======================= Grid point 61 (37/68) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 12.031 3.111 18.920) 22.636 1.910 ( 10.644 -4.550 14.158) 18.288 2.008 ( 6.775 0.645 19.340) 20.503 2.149 ( 10.749 -11.930 22.851) 27.929 2.317 ( -1.711 12.408 5.578) 13.711 2.370 ( 0.356 14.864 -0.316) 14.871 2.559 ( -3.107 -10.171 0.312) 10.639 2.678 ( -4.030 -11.420 -4.563) 12.941 2.864 ( -1.270 -0.193 -6.078) 6.212 2.887 ( -0.044 -1.672 -5.389) 5.643 2.938 ( -4.794 4.779 -5.171) 8.518 2.985 ( -2.717 4.752 -2.301) 5.938 3.052 ( 0.924 3.951 -1.447) 4.308 3.085 ( -5.618 -4.869 -3.396) 8.174 3.201 ( -1.604 1.392 -2.703) 3.437 3.304 ( -1.763 -3.669 -0.142) 4.073 3.351 ( -0.566 6.955 -0.666) 7.010 3.489 ( -5.983 -5.984 -1.362) 8.571 3.500 ( -1.194 4.776 -2.389) 5.472 3.612 ( 0.758 -1.420 1.541) 2.229 3.675 ( -0.143 -2.776 -1.766) 3.293 3.726 ( 1.364 -6.584 -4.083) 7.866 3.842 ( -5.312 5.802 -4.449) 9.037 3.867 ( 0.213 0.844 -0.742) 1.144 3.888 ( 1.929 -0.877 2.401) 3.202 3.972 ( -6.334 -6.581 -3.922) 9.940 4.004 ( -1.004 4.096 -5.484) 6.918 4.049 ( -1.963 0.355 -1.528) 2.513 4.117 ( -4.161 6.228 3.050) 8.087 4.162 ( 0.346 1.718 1.785) 2.501 4.211 ( -0.260 0.371 -0.799) 0.918 4.232 ( -0.001 -2.443 -1.141) 2.696 4.285 ( 8.229 4.750 9.226) 13.244 4.335 ( 3.646 1.766 2.220) 4.620 4.439 ( 2.688 -2.722 1.091) 3.979 4.488 ( 5.307 -3.788 5.948) 8.826 4.549 ( 1.614 1.363 4.635) 5.093 4.637 ( -2.547 2.390 -4.593) 5.770 4.678 ( -2.037 -4.869 1.785) 5.572 4.699 ( 1.227 -3.691 -1.672) 4.234 4.928 ( -0.038 1.930 -2.518) 3.172 4.975 ( 1.077 -3.195 4.542) 5.657 5.040 ( 5.330 1.397 4.541) 7.140 5.115 ( 2.822 -3.973 -1.908) 5.233 5.225 ( -1.221 -0.014 -3.114) 3.345 5.283 ( 2.201 -1.402 0.272) 2.623 5.400 ( -4.685 4.520 -1.412) 6.661 5.445 ( -0.326 2.772 0.012) 2.791 5.636 ( 3.020 6.033 -9.840) 11.931 5.691 ( -8.175 0.433 0.054) 8.186 5.733 ( -1.535 -3.269 -12.725) 13.228 5.758 ( -5.161 -3.525 -7.123) 9.476 6.072 ( 0.351 2.329 5.381) 5.874 6.104 ( -9.619 -0.511 4.238) 10.523 6.134 ( 1.813 2.276 -0.477) 2.948 6.178 ( 5.864 -1.470 -4.970) 7.826 6.268 ( 4.190 1.467 -0.703) 4.495 6.285 ( 1.429 -0.410 5.931) 6.115 6.312 ( 6.914 1.323 -4.313) 8.255 6.363 ( -5.447 0.009 2.721) 6.089 6.450 ( 1.608 -1.129 -1.918) 2.746 6.483 ( 2.904 -1.942 -0.348) 3.511 6.537 ( 3.268 0.443 0.742) 3.381 6.576 ( -0.632 -2.778 1.430) 3.188 6.734 ( -1.246 1.560 5.406) 5.763 6.755 ( -3.454 0.009 4.890) 5.987 6.851 ( 3.675 0.729 -2.672) 4.602 6.862 ( 3.553 0.013 -0.583) 3.601 7.076 ( 1.351 0.135 0.078) 1.360 7.098 ( 1.746 -1.720 0.191) 2.458 7.217 ( 0.711 0.460 1.913) 2.092 7.227 ( 1.230 -0.340 2.504) 2.810 7.284 ( -0.602 1.183 0.990) 1.656 7.299 ( -2.569 -0.223 -3.948) 4.715 7.384 ( -0.164 0.812 0.417) 0.927 7.404 ( -1.311 -1.085 -0.075) 1.703 7.509 ( -1.148 0.117 0.525) 1.267 7.512 ( -1.297 -0.166 0.218) 1.326 7.575 ( -0.805 0.541 -1.428) 1.727 7.585 ( -0.174 -0.356 -1.929) 1.969 7.911 ( 0.325 1.420 1.303) 1.954 7.949 ( -0.358 -2.170 2.117) 3.053 8.097 ( 0.504 2.188 -2.650) 3.473 8.134 ( -0.436 -1.453 -2.726) 3.119 8.960 ( 0.281 0.121 -1.127) 1.167 8.964 ( 0.111 -0.296 -0.884) 0.939 9.013 ( 1.247 0.385 -2.002) 2.390 9.019 ( 0.872 -0.179 -2.266) 2.435 9.372 ( -1.190 -0.099 2.130) 2.442 9.378 ( -1.164 -0.554 2.727) 3.016 9.406 ( -0.885 1.020 1.379) 1.930 9.418 ( -0.870 -0.186 1.336) 1.605 9.663 ( -4.268 0.370 1.651) 4.591 9.671 ( -4.499 -0.359 1.840) 4.874 9.808 ( -3.669 1.290 1.362) 4.121 9.835 ( -4.525 -1.240 0.897) 4.776 9.987 ( 1.952 0.296 1.923) 2.756 9.996 ( 1.372 -0.493 1.436) 2.046 10.287 ( 2.991 0.688 -2.847) 4.186 10.298 ( 2.606 -0.348 -2.633) 3.721 10.381 ( -0.350 0.633 1.227) 1.424 10.397 ( -0.068 -0.953 0.773) 1.229 10.558 ( 2.457 1.782 -3.509) 4.639 10.592 ( 2.747 -1.506 -4.106) 5.165 10.955 ( 0.931 2.134 -1.996) 3.066 11.001 ( 1.460 -2.212 -2.672) 3.763 11.363 ( -3.951 3.161 -0.327) 5.071 11.435 ( -4.633 -3.585 -2.612) 6.414 ======================= Grid point 62 (38/68) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.632 1.824 4.361) 4.769 2.204 ( 9.590 -2.710 5.212) 11.246 2.234 ( 12.578 0.480 12.287) 17.590 2.320 ( 0.219 -8.659 6.671) 10.933 2.374 ( 1.634 9.787 1.655) 10.059 2.433 ( 8.376 5.073 -2.025) 9.999 2.536 ( 1.709 -6.209 -2.594) 6.943 2.644 ( 3.200 -11.796 -7.148) 14.159 2.786 ( -2.744 3.775 -5.230) 7.010 2.812 ( 2.594 1.383 -6.971) 7.565 2.887 ( -2.065 3.516 -6.459) 7.638 2.919 ( 2.612 -2.638 -0.071) 3.714 3.020 ( -0.079 6.858 1.154) 6.955 3.064 ( 1.399 7.228 1.826) 7.585 3.236 ( 3.784 -1.404 2.026) 4.516 3.285 ( -0.250 -2.554 -1.763) 3.114 3.322 ( -0.541 2.854 -3.673) 4.683 3.334 ( -6.918 -0.250 -3.020) 7.553 3.469 ( 0.646 2.577 -2.267) 3.492 3.613 ( -2.280 0.514 -1.059) 2.566 3.656 ( -2.253 -6.697 -5.418) 8.904 3.671 ( -2.423 -1.945 -4.539) 5.501 3.753 ( 1.793 -2.574 -3.341) 4.583 3.789 ( -4.836 -5.696 -6.909) 10.177 3.868 ( -0.096 1.797 -6.704) 6.941 3.896 ( -2.368 -0.270 -0.937) 2.561 3.985 ( -2.766 2.704 -3.462) 5.191 4.001 ( -0.766 0.292 -1.370) 1.596 4.122 ( 4.620 0.913 7.631) 8.967 4.160 ( -0.584 1.132 2.888) 3.156 4.170 ( 1.926 4.497 -1.008) 4.995 4.279 ( 3.088 -5.712 -2.113) 6.829 4.330 ( -1.189 2.804 -4.307) 5.275 4.443 ( -2.025 -1.634 -1.023) 2.796 4.459 ( -2.300 -0.911 2.148) 3.276 4.521 ( -3.370 -1.856 -0.407) 3.869 4.595 ( -1.888 4.621 1.279) 5.153 4.604 ( -0.567 1.577 3.227) 3.636 4.657 ( 0.611 -3.732 0.721) 3.850 4.708 ( -0.545 -5.046 -1.168) 5.208 4.865 ( -6.668 5.377 7.237) 11.214 4.952 ( -12.710 -3.395 11.134) 17.235 5.051 ( 0.222 1.272 -6.543) 6.669 5.146 ( -0.006 -6.163 -7.998) 10.097 5.184 ( -6.033 9.450 -9.334) 14.588 5.322 ( 6.321 1.622 7.894) 10.242 5.363 ( -5.983 -4.717 -1.291) 7.728 5.392 ( 2.526 -3.357 1.297) 4.397 5.537 ( -9.478 3.432 -3.466) 10.660 5.550 ( -3.408 3.737 -5.053) 7.150 5.604 ( -1.992 0.688 -3.382) 3.985 5.643 ( 0.890 -1.618 -8.603) 8.799 5.943 ( -8.811 4.360 2.120) 10.057 6.058 ( -8.165 -5.181 4.508) 10.669 6.178 ( -0.929 0.908 2.570) 2.880 6.203 ( 0.309 -1.232 -2.267) 2.599 6.226 ( -4.123 2.513 5.254) 7.136 6.284 ( -3.288 -0.886 4.231) 5.431 6.327 ( 2.029 3.288 0.259) 3.873 6.428 ( -0.931 -3.702 5.507) 6.701 6.460 ( 0.466 -0.349 0.343) 0.676 6.499 ( 2.522 -4.135 -2.787) 5.588 6.666 ( 7.301 3.967 3.426) 8.988 6.707 ( 10.212 0.356 -0.873) 10.255 6.715 ( -1.323 3.306 4.885) 6.045 6.773 ( -0.481 -1.773 5.342) 5.649 6.923 ( 6.347 1.089 -3.001) 7.105 6.967 ( 9.201 -2.859 -6.061) 11.383 7.096 ( 0.306 1.347 -0.673) 1.537 7.146 ( 4.078 -2.407 -0.585) 4.772 7.224 ( 0.844 0.513 -2.174) 2.388 7.249 ( 0.981 -1.715 -0.103) 1.979 7.319 ( 1.895 1.926 6.410) 6.956 7.345 ( 2.077 -0.662 6.808) 7.149 7.420 ( 2.325 1.633 3.480) 4.493 7.445 ( 2.831 -0.307 4.197) 5.071 7.488 ( -1.464 -0.588 1.056) 1.899 7.492 ( -1.548 -0.621 1.174) 2.040 7.573 ( 1.283 0.937 2.295) 2.792 7.587 ( 1.931 -0.046 1.810) 2.647 7.930 ( 1.079 1.186 0.411) 1.655 7.964 ( 0.600 -1.922 1.136) 2.312 8.090 ( 1.025 2.179 -2.586) 3.534 8.129 ( 1.822 -1.557 -1.693) 2.934 8.963 ( 0.910 0.335 -0.792) 1.252 8.972 ( 1.127 -0.478 -0.431) 1.298 9.013 ( 0.137 0.191 -1.841) 1.856 9.014 ( 0.425 0.026 -1.911) 1.958 9.370 ( -1.232 0.240 2.816) 3.083 9.381 ( -0.868 -0.803 3.129) 3.345 9.415 ( 0.724 0.927 1.416) 1.841 9.426 ( 0.519 -0.189 1.530) 1.626 9.598 ( -3.915 0.352 0.719) 3.996 9.605 ( -3.888 -0.334 0.774) 3.979 9.743 ( -3.641 0.506 -0.019) 3.676 9.755 ( -3.960 -0.529 -0.484) 4.024 10.023 ( 0.398 0.014 1.885) 1.927 10.025 ( 0.228 -0.180 2.056) 2.076 10.301 ( 1.153 0.517 -3.706) 3.915 10.310 ( 1.504 -0.365 -3.460) 3.791 10.390 ( 0.626 0.759 1.062) 1.448 10.408 ( 0.712 -0.944 0.982) 1.537 10.584 ( 3.137 1.811 -3.223) 4.849 10.620 ( 3.342 -1.627 -3.393) 5.033 10.930 ( -0.845 2.192 -5.245) 5.747 10.979 ( -0.428 -2.454 -6.383) 6.851 11.261 ( -5.588 2.351 -3.513) 7.007 11.311 ( -6.083 -2.317 -4.629) 7.987 ======================= Grid point 63 (39/68) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -17.775 3.873 -0.299) 18.195 2.116 ( -12.706 -14.484 4.772) 19.849 2.287 ( -11.204 14.908 -6.358) 19.703 2.471 ( 5.258 0.185 -3.441) 6.287 2.503 ( 6.730 -4.081 3.804) 8.742 2.579 ( 1.188 -7.748 -2.999) 8.393 2.601 ( 7.508 0.940 -0.418) 7.578 2.607 ( 4.232 -5.604 -6.624) 9.654 2.748 ( 1.053 7.264 -2.076) 7.628 2.846 ( 4.766 -1.832 -3.400) 6.134 2.936 ( 10.233 0.717 -4.524) 11.212 2.961 ( 7.944 -2.430 -6.251) 10.396 3.040 ( 0.106 14.276 -0.306) 14.279 3.162 ( 1.091 7.168 -2.346) 7.621 3.203 ( 6.581 -3.078 -4.734) 8.672 3.230 ( -3.461 3.136 2.788) 5.439 3.319 ( 4.643 -6.032 -1.712) 7.803 3.385 ( -0.987 -5.178 2.268) 5.738 3.504 ( 2.922 3.181 -4.371) 6.145 3.550 ( 5.051 2.813 -1.095) 5.884 3.582 ( 0.274 -1.995 -7.492) 7.758 3.642 ( -2.200 1.636 0.946) 2.901 3.703 ( -0.167 -3.586 -2.153) 4.186 3.783 ( -1.518 -3.590 1.649) 4.232 3.835 ( 5.508 2.569 -9.094) 10.937 3.912 ( 7.067 -2.236 -3.835) 8.345 3.936 ( 2.591 1.422 -1.891) 3.508 3.989 ( 1.430 -0.931 -3.210) 3.636 4.088 ( -7.338 8.595 -0.901) 11.337 4.217 ( 0.011 -2.271 3.591) 4.249 4.267 ( -2.533 -3.910 -3.308) 5.714 4.302 ( 3.622 0.891 -0.873) 3.831 4.324 ( 2.998 -2.936 2.767) 5.026 4.337 ( -3.781 -11.271 -3.301) 12.338 4.420 ( -3.457 -0.014 3.797) 5.135 4.450 ( -5.120 -2.565 -1.060) 5.824 4.523 ( -1.229 1.216 2.632) 3.149 4.563 ( -7.399 -2.595 -1.115) 7.920 4.612 ( -1.552 4.706 0.918) 5.040 4.657 ( -5.488 0.254 -0.246) 5.500 4.716 ( -14.650 1.445 9.378) 17.454 4.742 ( -15.412 -2.807 9.017) 18.076 5.005 ( -3.519 7.270 -8.995) 12.089 5.018 ( -1.868 1.959 -3.057) 4.084 5.085 ( -2.689 -3.812 -6.649) 8.122 5.170 ( -7.894 -8.914 -10.823) 16.091 5.372 ( -8.528 12.528 0.842) 15.179 5.400 ( 0.517 10.017 -3.543) 10.638 5.481 ( -1.519 -0.564 -2.408) 2.902 5.535 ( 5.956 5.257 1.430) 8.072 5.561 ( -4.548 -0.688 -1.253) 4.768 5.664 ( 5.415 -3.511 -1.118) 6.550 5.813 ( -9.128 -1.410 4.280) 10.180 5.934 ( -8.606 -8.725 8.569) 14.954 6.111 ( -6.019 3.113 2.362) 7.176 6.154 ( -0.922 3.919 -3.040) 5.045 6.243 ( -1.113 -6.921 4.801) 8.497 6.275 ( 0.114 -5.887 2.247) 6.302 6.353 ( -0.392 3.764 2.273) 4.415 6.433 ( -0.773 -3.218 4.192) 5.341 6.509 ( 4.619 2.943 1.360) 5.643 6.557 ( 5.025 -2.391 0.663) 5.604 6.732 ( -0.263 3.911 6.076) 7.231 6.763 ( 1.240 0.544 -0.041) 1.355 6.855 ( 7.448 2.414 3.051) 8.403 6.895 ( 6.583 1.176 1.540) 6.862 6.991 ( 3.281 -0.737 0.352) 3.381 7.037 ( 0.214 -3.968 -1.385) 4.209 7.110 ( 3.819 4.421 -3.555) 6.839 7.175 ( -0.106 -0.491 -2.040) 2.101 7.227 ( -1.951 0.226 0.181) 1.973 7.269 ( 2.045 -3.595 -1.106) 4.281 7.369 ( -0.270 0.220 2.275) 2.301 7.385 ( 0.867 -0.444 1.954) 2.183 7.430 ( -3.272 0.361 1.216) 3.509 7.456 ( -1.570 -1.630 -0.243) 2.276 7.548 ( 7.550 3.965 4.422) 9.606 7.608 ( 8.038 -2.327 6.768) 10.762 7.672 ( 4.318 0.764 5.401) 6.957 7.676 ( 4.886 0.289 4.547) 6.681 7.956 ( 1.804 0.392 0.105) 1.849 7.983 ( 0.661 -1.867 1.037) 2.235 8.111 ( 3.380 3.882 -1.734) 5.432 8.178 ( 4.428 -2.543 -0.364) 5.119 8.979 ( 1.066 0.380 -0.380) 1.194 8.989 ( 0.524 -0.557 -1.132) 1.367 9.007 ( 0.554 0.362 -1.179) 1.352 9.013 ( 1.558 -0.133 -0.499) 1.642 9.366 ( -1.301 0.633 2.696) 3.060 9.383 ( -1.319 -1.048 2.915) 3.367 9.444 ( 1.033 0.681 1.399) 1.867 9.450 ( 0.605 0.062 1.874) 1.970 9.543 ( -2.610 0.211 0.931) 2.779 9.549 ( -2.728 -0.372 0.607) 2.819 9.687 ( -1.507 1.170 -1.377) 2.353 9.713 ( -0.045 -1.176 -1.262) 1.725 10.028 ( -1.253 0.339 2.253) 2.601 10.035 ( -0.802 -0.358 2.554) 2.701 10.287 ( 0.479 0.824 -3.654) 3.776 10.307 ( 0.896 -1.142 -3.343) 3.644 10.418 ( 1.636 1.088 0.979) 2.195 10.438 ( 1.496 -0.841 2.045) 2.669 10.622 ( 3.383 1.794 -2.902) 4.805 10.659 ( 3.056 -1.731 -2.403) 4.256 10.855 ( -2.409 1.722 -7.429) 7.997 10.895 ( -2.721 -2.094 -9.545) 10.144 11.128 ( -5.628 1.912 -5.412) 8.039 11.166 ( -5.777 -1.695 -5.897) 8.427 ======================= Grid point 64 (40/68) ======================= q-point: (-0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -19.705 11.280 7.732) 23.986 1.910 ( -20.322 17.252 -5.381) 27.195 1.956 ( -12.635 -17.156 9.960) 23.520 2.361 ( -14.863 -21.078 -5.137) 26.298 2.496 ( 1.481 4.246 -2.039) 4.937 2.615 ( 2.484 -2.389 -3.795) 5.126 2.653 ( 1.938 -0.251 -1.187) 2.287 2.670 ( -0.944 -0.455 4.301) 4.427 2.779 ( 1.163 8.357 -0.557) 8.456 2.937 ( 4.470 -5.487 0.572) 7.101 3.002 ( -0.151 10.976 -4.457) 11.848 3.071 ( 4.781 4.836 1.309) 6.925 3.081 ( 7.067 -2.270 -2.571) 7.855 3.183 ( -4.488 -3.522 -4.142) 7.050 3.212 ( 1.817 0.211 6.540) 6.790 3.262 ( 3.269 1.116 0.841) 3.556 3.390 ( -0.397 -0.438 -0.192) 0.621 3.464 ( 5.955 -3.578 3.961) 7.997 3.491 ( 3.367 2.163 -7.737) 8.711 3.530 ( 1.616 2.419 -3.989) 4.937 3.611 ( -1.742 -0.198 -1.943) 2.617 3.643 ( 7.036 -6.439 -5.301) 10.912 3.800 ( 8.236 3.010 -3.195) 9.332 3.836 ( 13.351 2.434 -6.109) 14.882 3.870 ( -3.346 1.808 0.853) 3.898 3.934 ( 3.904 3.057 -8.688) 10.004 3.972 ( 0.884 1.926 -3.058) 3.721 4.031 ( 6.990 2.229 -4.271) 8.490 4.066 ( 3.225 -2.575 -5.653) 6.999 4.156 ( -0.022 -5.449 -0.744) 5.500 4.197 ( -4.961 -1.748 1.210) 5.397 4.272 ( -7.715 -3.349 1.500) 8.543 4.298 ( -12.729 -2.212 5.491) 14.038 4.311 ( 3.765 -5.814 1.207) 7.031 4.353 ( -0.213 -3.274 0.125) 3.283 4.402 ( 3.828 -4.239 0.422) 5.727 4.499 ( -3.591 3.832 -0.818) 5.315 4.527 ( -1.094 1.181 5.986) 6.199 4.588 ( -1.913 2.087 5.568) 6.246 4.628 ( -1.556 0.252 4.405) 4.678 4.644 ( -1.206 0.424 1.423) 1.913 4.678 ( 5.942 -0.735 7.418) 9.533 4.860 ( -4.792 2.768 -8.366) 10.030 4.928 ( -6.887 -2.989 -6.747) 10.094 4.966 ( -3.571 1.720 -3.651) 5.388 5.007 ( -4.980 -0.790 -6.067) 7.888 5.202 ( -9.577 12.266 0.135) 15.562 5.367 ( -2.040 9.068 -4.712) 10.420 5.395 ( -4.761 10.710 -5.985) 13.160 5.405 ( -5.475 -2.219 0.555) 5.934 5.627 ( -4.353 4.339 5.443) 8.210 5.663 ( -6.469 -9.456 -1.770) 11.593 5.700 ( 1.368 -12.934 -2.649) 13.273 5.867 ( -7.347 -13.057 8.045) 17.006 6.051 ( -4.090 6.055 3.297) 8.016 6.159 ( 1.958 7.796 1.844) 8.247 6.257 ( -1.197 -7.400 3.047) 8.092 6.287 ( 2.461 3.785 0.910) 4.606 6.409 ( 2.301 -2.597 3.114) 4.662 6.481 ( 2.375 -4.096 3.534) 5.909 6.605 ( 5.497 4.000 -0.535) 6.820 6.658 ( 5.392 -1.572 -0.265) 5.623 6.743 ( -0.835 3.103 0.546) 3.260 6.779 ( 1.080 -0.915 -1.164) 1.832 6.955 ( 0.248 1.444 3.100) 3.429 6.977 ( -1.417 0.155 1.557) 2.111 7.001 ( 0.602 1.893 0.948) 2.201 7.039 ( -0.133 -1.447 2.199) 2.636 7.132 ( -1.097 1.172 1.531) 2.219 7.164 ( -1.949 -0.970 1.555) 2.676 7.204 ( 4.872 2.474 -6.007) 8.120 7.264 ( -0.991 -1.600 -2.291) 2.965 7.332 ( -4.017 0.405 1.794) 4.418 7.381 ( -2.947 -2.535 1.301) 4.099 7.434 ( 2.039 -0.034 1.441) 2.497 7.462 ( 2.339 -1.799 -0.729) 3.039 7.710 ( 6.513 4.549 1.395) 8.066 7.743 ( 2.317 1.584 1.596) 3.229 7.766 ( 4.002 -0.195 2.856) 4.920 7.802 ( 4.905 -2.218 2.316) 5.860 8.002 ( 1.655 -1.199 1.111) 2.326 8.013 ( 4.242 -2.292 -0.488) 4.846 8.181 ( 5.246 5.466 -1.447) 7.713 8.266 ( 5.065 -3.067 -0.374) 5.933 8.977 ( -0.187 0.170 -1.957) 1.973 8.983 ( 0.303 -0.566 -1.249) 1.404 9.029 ( 2.069 1.591 -0.042) 2.611 9.057 ( 2.691 -1.169 0.387) 2.959 9.367 ( -0.344 0.145 2.509) 2.537 9.377 ( -1.082 -0.721 1.888) 2.292 9.467 ( 0.555 0.893 2.133) 2.378 9.478 ( 1.003 -0.156 2.568) 2.761 9.525 ( -0.419 0.398 2.281) 2.353 9.537 ( 0.542 -0.782 3.427) 3.556 9.675 ( 0.780 2.362 -1.665) 2.993 9.719 ( 1.117 -1.818 -1.882) 2.845 10.023 ( -0.943 1.074 2.868) 3.204 10.045 ( 0.102 -0.935 2.991) 3.135 10.273 ( 0.432 0.954 -2.444) 2.659 10.299 ( 0.577 -1.606 -2.174) 2.764 10.452 ( 1.342 2.002 -0.309) 2.430 10.483 ( 1.346 -0.893 2.136) 2.678 10.648 ( 1.352 0.715 -5.591) 5.797 10.674 ( -0.585 -1.626 -3.364) 3.782 10.760 ( -1.770 0.218 -5.926) 6.189 10.764 ( -2.861 -0.193 -8.641) 9.104 11.003 ( -3.906 1.910 -3.725) 5.726 11.041 ( -3.509 -1.689 -3.626) 5.321 ======================= Grid point 65 (41/68) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -14.688 20.543 14.171) 28.958 1.539 ( -16.822 25.492 11.327) 32.575 1.876 ( -9.200 -27.569 10.310) 30.838 2.060 ( -15.520 -25.180 7.834) 30.599 2.461 ( -13.896 7.638 14.939) 21.786 2.587 ( -6.014 1.178 5.795) 8.434 2.647 ( 0.257 3.373 0.523) 3.423 2.703 ( 0.994 -4.972 3.842) 6.362 2.737 ( -4.708 10.112 3.803) 11.784 2.965 ( -2.819 7.054 -1.308) 7.708 2.970 ( -2.795 -7.266 4.875) 9.185 3.066 ( -2.581 -0.524 -2.682) 3.759 3.105 ( -1.147 2.565 0.121) 2.812 3.183 ( 2.519 2.322 -0.435) 3.454 3.294 ( 4.203 -5.946 6.512) 9.769 3.313 ( 1.883 -7.154 1.100) 7.479 3.404 ( 3.981 3.810 -1.031) 5.606 3.462 ( 2.841 0.966 -3.093) 4.310 3.494 ( -2.982 3.269 -0.774) 4.492 3.565 ( 0.028 -3.209 -0.458) 3.241 3.606 ( 2.220 -1.939 -2.176) 3.664 3.675 ( -1.721 -7.664 -9.288) 12.164 3.856 ( 0.276 0.851 0.117) 0.903 3.865 ( 0.970 0.479 -0.120) 1.088 3.985 ( 6.333 1.559 -0.143) 6.524 4.002 ( 5.709 -0.175 -3.999) 6.973 4.036 ( -2.161 3.818 -2.570) 5.085 4.076 ( 7.902 -1.289 -2.012) 8.255 4.119 ( -4.370 3.670 4.175) 7.071 4.141 ( 13.198 -0.259 -14.533) 19.633 4.186 ( 5.237 -0.087 0.802) 5.299 4.206 ( 11.326 -1.707 -9.670) 14.989 4.290 ( 3.006 -1.014 1.557) 3.534 4.353 ( 5.159 -2.314 -1.766) 5.923 4.385 ( 0.102 2.214 -0.114) 2.220 4.429 ( -1.465 1.274 -2.489) 3.156 4.490 ( 1.450 -1.545 -1.129) 2.401 4.531 ( -3.798 0.643 -1.023) 3.986 4.587 ( -0.066 2.046 0.617) 2.138 4.647 ( 0.056 -3.362 -0.337) 3.379 4.682 ( -3.295 3.662 1.960) 5.301 4.769 ( -0.684 -0.362 0.272) 0.821 4.793 ( -1.151 -0.527 3.722) 3.932 4.846 ( 5.508 -2.557 2.873) 6.718 4.887 ( 2.543 -0.065 -3.688) 4.480 4.901 ( 0.951 -0.057 -4.514) 4.613 5.047 ( -7.547 9.341 -0.612) 12.024 5.232 ( -8.505 -3.319 4.571) 10.210 5.341 ( 2.666 11.876 -2.372) 12.400 5.404 ( -2.236 7.452 1.971) 8.026 5.524 ( -2.655 11.010 2.425) 11.583 5.613 ( 0.661 -14.085 -3.072) 14.432 5.691 ( -3.815 -18.946 4.609) 19.868 5.806 ( -1.364 -15.004 2.091) 15.210 5.988 ( -4.271 9.508 1.033) 10.474 6.181 ( -3.164 -5.349 1.738) 6.453 6.248 ( 0.119 8.972 -0.193) 8.975 6.344 ( 2.646 10.127 -2.596) 10.784 6.443 ( 0.596 -6.510 0.001) 6.537 6.519 ( 0.467 -5.022 -1.282) 5.204 6.665 ( -0.688 3.286 2.177) 4.002 6.708 ( 0.633 0.941 0.148) 1.144 6.773 ( 4.497 -1.106 -3.281) 5.676 6.793 ( 2.318 -1.874 -3.293) 4.442 6.895 ( -5.047 1.627 0.931) 5.383 6.925 ( -5.314 -1.354 2.475) 6.016 7.027 ( -2.658 1.405 4.766) 5.635 7.037 ( -1.601 0.369 4.957) 5.222 7.125 ( -0.834 0.943 0.039) 1.260 7.140 ( -0.524 0.088 -1.092) 1.214 7.224 ( -2.376 2.312 0.585) 3.367 7.258 ( 1.399 -1.635 -1.048) 2.394 7.299 ( 2.017 -0.074 -2.186) 2.975 7.339 ( -2.545 -3.169 0.066) 4.065 7.471 ( 1.762 1.959 -0.192) 2.641 7.505 ( 3.018 -1.291 -1.590) 3.647 7.757 ( -0.655 3.208 0.273) 3.286 7.774 ( 1.269 4.325 -3.365) 5.625 7.814 ( 0.433 -1.411 -0.420) 1.534 7.855 ( 1.060 -2.708 -1.205) 3.148 8.035 ( 1.797 0.361 -1.456) 2.341 8.086 ( 3.947 -3.300 -3.690) 6.332 8.252 ( 4.070 4.063 -4.489) 7.296 8.323 ( 2.283 -2.586 -3.423) 4.860 8.963 ( 0.367 0.732 -2.026) 2.186 8.981 ( 0.684 -1.041 -1.691) 2.100 9.059 ( 1.402 1.845 -1.498) 2.759 9.092 ( 1.148 -1.309 -1.401) 2.235 9.377 ( -0.375 0.153 1.734) 1.781 9.388 ( 0.402 -1.059 1.811) 2.135 9.504 ( 1.603 1.164 3.012) 3.605 9.526 ( 2.140 -1.073 3.896) 4.573 9.586 ( 4.005 1.756 5.751) 7.224 9.619 ( 3.327 -1.504 4.244) 5.598 9.685 ( 2.501 1.008 1.468) 3.070 9.705 ( -0.967 -0.830 -1.550) 2.006 10.039 ( 0.510 2.435 2.336) 3.413 10.083 ( 1.855 -1.792 1.887) 3.196 10.255 ( -1.475 1.312 -2.156) 2.923 10.290 ( -1.070 -2.241 -2.975) 3.875 10.425 ( -2.340 2.158 -6.495) 7.233 10.463 ( -3.788 -1.785 -7.067) 8.214 10.547 ( -3.094 2.807 -1.991) 4.628 10.600 ( -3.187 -2.302 -2.749) 4.797 10.742 ( 1.691 0.389 -0.360) 1.772 10.753 ( 3.269 -0.673 -0.462) 3.370 10.981 ( 2.235 2.708 4.115) 5.409 11.032 ( 2.972 -2.108 3.739) 5.221 ======================= Grid point 66 (42/68) ======================= q-point: (-0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -11.675 15.559 20.002) 27.901 1.573 ( -4.025 22.683 30.299) 38.062 1.681 ( -13.460 -28.243 5.095) 31.698 1.978 ( -13.724 -18.876 23.719) 33.275 2.269 ( -21.142 15.679 35.891) 44.508 2.501 ( -8.788 2.979 13.053) 16.016 2.662 ( -1.585 1.288 2.128) 2.950 2.733 ( 0.299 4.100 1.942) 4.547 2.770 ( 2.539 12.064 4.142) 13.005 2.866 ( -6.637 -3.405 7.043) 10.259 2.972 ( -1.124 -11.326 2.883) 11.741 3.045 ( 1.010 -5.563 1.918) 5.971 3.088 ( 0.621 0.238 0.905) 1.123 3.199 ( -0.388 -6.458 -2.367) 6.889 3.339 ( 0.340 3.430 -3.977) 5.263 3.411 ( 3.968 -2.104 3.004) 5.403 3.444 ( 2.140 3.304 -4.688) 6.121 3.472 ( 1.970 -2.142 0.594) 2.970 3.523 ( 2.548 -1.708 0.635) 3.132 3.561 ( -2.823 -1.858 -3.229) 4.674 3.595 ( 3.510 -2.968 1.396) 4.804 3.618 ( 1.550 -4.501 -0.666) 4.807 3.814 ( -1.955 2.676 -1.610) 3.685 3.874 ( 0.086 -3.027 -1.367) 3.322 3.953 ( -0.554 5.548 -2.593) 6.149 4.017 ( -0.772 0.794 0.630) 1.274 4.027 ( -3.324 2.585 1.918) 4.627 4.138 ( 0.795 -3.691 -5.587) 6.744 4.179 ( -0.172 -0.281 0.837) 0.900 4.223 ( -5.056 -2.870 1.200) 5.936 4.282 ( 4.325 2.355 -2.978) 5.755 4.315 ( 9.198 3.011 -3.055) 10.149 4.323 ( -4.426 1.508 0.888) 4.759 4.405 ( 0.029 2.433 -2.386) 3.408 4.413 ( 6.664 -2.805 -3.862) 8.197 4.461 ( 5.541 -1.853 -3.620) 6.873 4.487 ( -0.005 3.766 1.744) 4.151 4.514 ( 7.290 -0.439 -5.818) 9.338 4.567 ( -2.921 1.252 -5.471) 6.327 4.586 ( 3.734 1.444 -8.318) 9.231 4.621 ( -3.358 0.604 -3.088) 4.601 4.646 ( 1.858 -0.921 -3.430) 4.008 4.928 ( 0.448 9.839 4.594) 10.868 4.954 ( 8.213 2.201 -0.048) 8.503 4.976 ( 10.532 -1.970 2.008) 10.901 5.029 ( 3.694 -1.422 5.704) 6.943 5.087 ( 10.605 -2.313 3.884) 11.528 5.224 ( 8.571 -6.377 2.553) 10.984 5.314 ( -4.009 7.666 2.733) 9.072 5.430 ( 5.593 9.414 -0.204) 10.952 5.547 ( -0.216 -2.394 0.242) 2.416 5.630 ( 3.648 -3.802 2.598) 5.875 5.720 ( 3.854 -11.817 3.987) 13.053 5.848 ( 3.309 -11.633 1.173) 12.151 5.919 ( -2.275 7.083 -3.192) 8.096 6.095 ( -5.723 -6.388 -0.844) 8.618 6.257 ( 2.348 11.842 -2.165) 12.265 6.342 ( 0.593 9.063 -3.745) 9.824 6.443 ( 0.773 -6.266 -3.128) 7.046 6.486 ( -1.308 -4.526 -4.025) 6.197 6.648 ( -1.541 2.751 -0.544) 3.200 6.676 ( -5.134 2.107 -0.376) 5.562 6.730 ( -5.626 -2.090 -0.769) 6.051 6.759 ( -4.277 -3.622 -1.978) 5.943 6.845 ( -4.853 1.767 5.024) 7.205 6.894 ( -0.555 -2.910 2.514) 3.885 7.013 ( -1.864 1.756 1.295) 2.870 7.032 ( -1.750 -0.115 1.460) 2.282 7.107 ( -0.915 1.646 -1.086) 2.174 7.119 ( 0.417 -0.042 -1.359) 1.423 7.189 ( -3.513 2.675 3.244) 5.479 7.240 ( -2.887 -1.571 2.603) 4.193 7.307 ( 0.519 0.629 -2.515) 2.644 7.343 ( 3.799 -2.923 -3.825) 6.133 7.498 ( 2.499 2.999 -2.888) 4.856 7.539 ( 2.355 -1.284 -2.585) 3.725 7.724 ( -3.177 1.379 -2.377) 4.201 7.730 ( -1.646 6.725 -5.345) 8.746 7.774 ( -3.462 -2.111 -3.161) 5.141 7.836 ( -1.276 -2.453 -3.650) 4.579 8.026 ( -1.356 0.829 -2.539) 2.995 8.083 ( -0.462 -3.239 -5.805) 6.663 8.232 ( -1.519 2.924 -7.038) 7.771 8.293 ( -1.463 -2.329 -6.034) 6.631 8.963 ( 1.184 1.121 -1.963) 2.552 8.985 ( 1.184 -1.065 -1.894) 2.475 9.048 ( -0.843 1.499 -2.755) 3.247 9.075 ( -1.154 -1.117 -2.732) 3.169 9.381 ( -0.440 0.446 1.202) 1.356 9.393 ( -0.475 -0.724 0.192) 0.887 9.540 ( -1.126 1.629 1.706) 2.614 9.574 ( -2.472 -1.713 2.027) 3.627 9.647 ( 2.887 0.601 2.235) 3.700 9.666 ( 2.068 -1.092 1.055) 2.566 9.739 ( 3.697 3.765 6.592) 8.444 9.823 ( 3.982 -4.691 4.648) 7.711 10.062 ( 0.239 3.419 -0.758) 3.511 10.113 ( 0.257 -1.789 -1.183) 2.160 10.154 ( -5.632 0.816 -4.896) 7.507 10.170 ( -4.104 -0.687 -3.726) 5.586 10.350 ( -0.698 2.246 -1.515) 2.798 10.408 ( -0.230 -3.458 -0.310) 3.480 10.527 ( 0.431 1.917 -0.742) 2.101 10.555 ( -0.128 -1.037 -0.900) 1.379 10.794 ( 3.107 1.663 1.859) 3.984 10.831 ( 4.261 -1.955 1.272) 4.858 11.126 ( 7.185 3.484 9.458) 12.378 11.199 ( 10.313 -3.528 8.168) 13.620 ======================= Grid point 75 (43/68) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -8.343 0.000 27.868) 29.090 2.046 ( 7.584 0.000 29.027) 30.002 2.154 ( -5.901 0.000 12.262) 13.609 2.214 ( -7.838 0.000 8.250) 11.380 2.463 ( -13.002 0.000 15.473) 20.210 2.528 ( -9.313 0.000 5.843) 10.994 2.678 ( 4.135 0.000 4.004) 5.756 2.686 ( 6.596 0.000 -6.840) 9.502 2.952 ( -1.501 0.000 7.721) 7.865 2.973 ( -5.749 0.000 6.434) 8.628 3.025 ( -7.910 0.000 -3.996) 8.863 3.025 ( 4.757 0.000 -5.614) 7.358 3.107 ( -4.320 0.000 1.202) 4.484 3.171 ( 0.175 0.000 -1.546) 1.556 3.323 ( 2.010 0.000 2.171) 2.958 3.345 ( -4.994 0.000 -4.128) 6.479 3.406 ( -2.217 0.000 -0.693) 2.322 3.570 ( 0.459 0.000 -7.524) 7.538 3.572 ( 3.257 0.000 9.559) 10.099 3.693 ( -4.287 0.000 -1.637) 4.589 3.769 ( -1.158 0.000 5.608) 5.726 3.783 ( 5.311 0.000 -0.526) 5.336 3.814 ( -1.806 0.000 -5.972) 6.239 3.828 ( 7.174 0.000 9.043) 11.542 3.900 ( 4.593 0.000 7.497) 8.792 3.950 ( -2.966 0.000 -3.825) 4.840 3.983 ( -0.274 0.000 -1.455) 1.480 4.100 ( -7.999 0.000 -5.791) 9.875 4.161 ( -3.259 0.000 -1.655) 3.655 4.176 ( -1.952 0.000 3.794) 4.267 4.253 ( 1.883 0.000 5.770) 6.070 4.286 ( -11.368 0.000 4.745) 12.319 4.341 ( -0.801 0.000 -4.278) 4.353 4.347 ( 3.869 0.000 0.615) 3.917 4.393 ( 8.645 0.000 -8.153) 11.884 4.440 ( -1.948 0.000 -0.456) 2.001 4.478 ( 1.375 0.000 -5.808) 5.968 4.519 ( 5.278 0.000 3.157) 6.151 4.530 ( 11.304 0.000 -6.193) 12.889 4.547 ( 4.045 0.000 0.527) 4.079 4.666 ( 6.876 0.000 -3.131) 7.555 4.851 ( 4.237 0.000 14.616) 15.218 4.893 ( 9.567 0.000 6.195) 11.398 5.092 ( -7.861 0.000 0.215) 7.864 5.199 ( 0.628 0.000 0.177) 0.653 5.253 ( 1.199 0.000 -7.670) 7.763 5.296 ( 6.968 0.000 -3.627) 7.856 5.302 ( 2.143 0.000 2.073) 2.981 5.397 ( 9.394 0.000 -6.422) 11.380 5.403 ( 15.019 0.000 9.055) 17.538 5.565 ( 4.646 0.000 -2.214) 5.146 5.722 ( 12.717 0.000 0.525) 12.728 5.817 ( -2.397 0.000 -2.032) 3.142 5.846 ( 1.694 0.000 -12.138) 12.256 5.897 ( -4.718 0.000 -9.010) 10.171 5.993 ( -1.115 0.000 -5.637) 5.747 6.279 ( 0.356 0.000 2.146) 2.175 6.291 ( -0.272 0.000 -2.217) 2.233 6.342 ( -4.297 0.000 -4.473) 6.203 6.373 ( 4.622 0.000 1.880) 4.990 6.504 ( -3.999 0.000 4.616) 6.107 6.530 ( -1.853 0.000 1.668) 2.493 6.693 ( 0.905 0.000 -0.986) 1.338 6.707 ( -0.464 0.000 -5.378) 5.398 6.828 ( -7.732 0.000 4.043) 8.725 6.881 ( -3.951 0.000 1.693) 4.298 6.982 ( -0.826 0.000 -0.728) 1.101 6.991 ( -4.453 0.000 3.366) 5.582 7.097 ( 0.414 0.000 1.649) 1.700 7.121 ( -4.113 0.000 -0.097) 4.114 7.213 ( -0.052 0.000 0.923) 0.924 7.249 ( -0.999 0.000 5.300) 5.394 7.264 ( -2.231 0.000 1.280) 2.572 7.333 ( 0.742 0.000 -5.421) 5.472 7.388 ( -0.596 0.000 0.007) 0.596 7.497 ( -0.911 0.000 -1.273) 1.565 7.503 ( 2.619 0.000 -3.825) 4.635 7.567 ( -3.695 0.000 -4.465) 5.796 7.618 ( -3.105 0.000 -9.351) 9.853 7.622 ( -4.219 0.000 -4.137) 5.909 7.938 ( -2.075 0.000 0.402) 2.113 8.005 ( 1.135 0.000 -2.713) 2.941 8.076 ( -2.196 0.000 1.362) 2.584 8.168 ( -0.272 0.000 -3.533) 3.544 8.939 ( 1.552 0.000 -0.648) 1.682 8.961 ( -0.711 0.000 -1.415) 1.584 8.974 ( 0.887 0.000 -1.250) 1.532 8.988 ( -1.158 0.000 -2.175) 2.464 9.404 ( 0.731 0.000 1.696) 1.846 9.419 ( 0.194 0.000 2.094) 2.103 9.473 ( -3.041 0.000 -1.308) 3.311 9.494 ( -3.024 0.000 -1.403) 3.333 9.802 ( 3.682 0.000 2.355) 4.371 9.823 ( 5.175 0.000 2.506) 5.750 9.831 ( -4.831 0.000 0.944) 4.922 9.849 ( -3.428 0.000 1.675) 3.815 10.030 ( -3.273 0.000 2.699) 4.242 10.062 ( -3.928 0.000 0.497) 3.959 10.119 ( 4.581 0.000 -2.051) 5.020 10.140 ( 4.930 0.000 -2.307) 5.443 10.389 ( 0.969 0.000 3.091) 3.240 10.434 ( -1.240 0.000 0.957) 1.566 10.490 ( 0.561 0.000 -1.799) 1.884 10.517 ( 0.922 0.000 -3.311) 3.437 10.898 ( 1.453 0.000 2.451) 2.849 10.943 ( 2.846 0.000 0.135) 2.849 11.392 ( 1.952 0.000 5.046) 5.411 11.488 ( 4.464 0.000 -0.716) 4.521 ======================= Grid point 76 (44/68) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -7.125 0.000 23.944) 24.982 2.150 ( -6.317 0.000 13.075) 14.522 2.193 ( -0.661 0.000 14.165) 14.180 2.368 ( -1.675 0.000 13.665) 13.767 2.392 ( -6.998 0.000 15.450) 16.961 2.420 ( 1.124 0.000 17.191) 17.228 2.729 ( 1.534 0.000 -4.162) 4.435 2.741 ( 4.052 0.000 -9.403) 10.239 2.803 ( -6.275 0.000 -5.491) 8.339 2.881 ( -4.426 0.000 -3.369) 5.563 3.037 ( -5.595 0.000 -1.484) 5.788 3.049 ( -9.058 0.000 -1.347) 9.158 3.056 ( -3.961 0.000 12.152) 12.781 3.059 ( -1.229 0.000 -3.577) 3.783 3.207 ( -3.015 0.000 -3.944) 4.965 3.328 ( -3.991 0.000 10.649) 11.373 3.371 ( -4.673 0.000 -2.072) 5.112 3.514 ( -6.615 0.000 -1.827) 6.863 3.577 ( 6.228 0.000 -9.314) 11.204 3.701 ( -4.887 0.000 -6.216) 7.907 3.716 ( -4.562 0.000 3.784) 5.927 3.735 ( -0.415 0.000 3.685) 3.708 3.768 ( -2.258 0.000 -1.004) 2.471 3.907 ( -3.305 0.000 -0.932) 3.434 3.934 ( 4.748 0.000 3.064) 5.650 3.968 ( 0.051 0.000 -6.153) 6.153 3.991 ( -12.871 0.000 3.288) 13.284 4.035 ( -3.407 0.000 -5.100) 6.133 4.117 ( 5.550 0.000 4.757) 7.309 4.142 ( -0.656 0.000 -2.296) 2.388 4.213 ( -7.167 0.000 -3.749) 8.089 4.245 ( 9.645 0.000 20.689) 22.826 4.322 ( 0.866 0.000 3.418) 3.526 4.340 ( -4.987 0.000 3.765) 6.248 4.448 ( 0.675 0.000 -1.630) 1.764 4.449 ( 4.624 0.000 -7.894) 9.148 4.501 ( 1.759 0.000 -1.553) 2.347 4.619 ( 1.748 0.000 -0.797) 1.921 4.674 ( 7.832 0.000 0.623) 7.857 4.679 ( 9.653 0.000 -8.656) 12.965 4.713 ( 3.725 0.000 -2.979) 4.770 4.980 ( 8.658 0.000 -23.143) 24.709 5.057 ( 3.906 0.000 5.758) 6.958 5.067 ( 7.112 0.000 9.896) 12.186 5.182 ( -1.414 0.000 -1.508) 2.067 5.271 ( -3.550 0.000 -1.021) 3.694 5.329 ( 1.115 0.000 0.701) 1.317 5.373 ( -0.002 0.000 -6.366) 6.366 5.428 ( 5.497 0.000 5.200) 7.567 5.609 ( -1.758 0.000 -17.173) 17.262 5.626 ( -0.283 0.000 -13.363) 13.366 5.799 ( 0.548 0.000 -3.876) 3.915 5.822 ( 16.503 0.000 -3.671) 16.906 5.836 ( 12.315 0.000 -1.346) 12.388 5.990 ( 9.976 0.000 -2.119) 10.199 6.010 ( 10.859 0.000 -8.934) 14.062 6.230 ( -5.918 0.000 -2.637) 6.478 6.295 ( -0.052 0.000 2.561) 2.562 6.323 ( 4.599 0.000 3.263) 5.640 6.402 ( -0.437 0.000 -3.083) 3.114 6.503 ( -1.616 0.000 9.173) 9.315 6.547 ( -2.039 0.000 1.674) 2.638 6.627 ( -6.966 0.000 -2.389) 7.364 6.647 ( -0.646 0.000 1.878) 1.986 6.741 ( -4.900 0.000 1.923) 5.264 6.855 ( -2.523 0.000 2.747) 3.730 6.939 ( -5.952 0.000 5.222) 7.918 6.963 ( -2.450 0.000 5.667) 6.174 7.062 ( 0.539 0.000 0.154) 0.560 7.118 ( 0.177 0.000 2.838) 2.843 7.221 ( -2.066 0.000 -3.636) 4.182 7.225 ( 1.202 0.000 1.453) 1.886 7.291 ( -1.619 0.000 -0.565) 1.715 7.325 ( 2.279 0.000 8.635) 8.931 7.394 ( 0.443 0.000 2.423) 2.464 7.457 ( -2.436 0.000 -0.815) 2.569 7.503 ( 0.048 0.000 -1.920) 1.921 7.518 ( 1.409 0.000 -2.515) 2.883 7.548 ( -1.423 0.000 -2.288) 2.695 7.553 ( 0.263 0.000 -2.591) 2.604 7.917 ( -1.037 0.000 1.481) 1.808 8.014 ( 1.544 0.000 -2.271) 2.746 8.049 ( -2.559 0.000 3.029) 3.965 8.136 ( -1.002 0.000 -2.489) 2.683 8.942 ( -0.316 0.000 -1.400) 1.435 8.962 ( -0.483 0.000 -0.935) 1.053 8.963 ( 1.608 0.000 -0.706) 1.756 8.982 ( 0.971 0.000 -1.110) 1.475 9.413 ( -2.346 0.000 -0.842) 2.493 9.435 ( -0.172 0.000 2.622) 2.628 9.435 ( 0.273 0.000 3.617) 3.627 9.446 ( -1.734 0.000 -0.389) 1.777 9.751 ( -4.639 0.000 0.513) 4.667 9.776 ( -4.931 0.000 0.444) 4.951 9.856 ( -0.230 0.000 1.924) 1.938 9.909 ( 1.450 0.000 0.932) 1.724 9.993 ( -2.417 0.000 2.072) 3.183 10.007 ( -0.968 0.000 1.410) 1.711 10.183 ( 3.848 0.000 -2.484) 4.580 10.205 ( 4.206 0.000 -3.295) 5.342 10.410 ( -0.673 0.000 2.277) 2.374 10.428 ( -0.600 0.000 1.684) 1.787 10.480 ( 0.390 0.000 -2.401) 2.433 10.513 ( 1.583 0.000 -3.801) 4.118 10.916 ( -0.343 0.000 -0.335) 0.479 10.970 ( 0.938 0.000 -2.189) 2.381 11.403 ( -3.051 0.000 1.113) 3.247 11.489 ( -2.091 0.000 -3.817) 4.352 ======================= Grid point 77 (45/68) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 1.633 0.000 10.758) 10.881 2.224 ( 1.834 0.000 17.995) 18.088 2.250 ( -4.103 0.000 7.280) 8.357 2.356 ( 0.322 0.000 9.769) 9.774 2.405 ( -1.646 0.000 7.484) 7.663 2.624 ( 1.664 0.000 1.550) 2.274 2.630 ( -1.463 0.000 -9.604) 9.715 2.661 ( -4.559 0.000 -0.026) 4.559 2.759 ( -7.124 0.000 -1.619) 7.306 2.795 ( -10.270 0.000 -2.338) 10.533 2.805 ( 1.551 0.000 -0.198) 1.563 2.916 ( -8.254 0.000 -1.493) 8.388 3.014 ( -6.559 0.000 6.586) 9.295 3.041 ( 2.744 0.000 -6.253) 6.828 3.165 ( -11.308 0.000 1.565) 11.416 3.235 ( 4.790 0.000 6.353) 7.957 3.356 ( -2.239 0.000 2.747) 3.544 3.447 ( -5.417 0.000 -3.963) 6.712 3.532 ( -5.754 0.000 2.230) 6.171 3.562 ( -5.684 0.000 -5.563) 7.953 3.648 ( 6.072 0.000 -4.227) 7.398 3.672 ( -4.274 0.000 -4.406) 6.138 3.780 ( -9.599 0.000 -3.714) 10.293 3.833 ( 3.604 0.000 3.394) 4.951 3.850 ( -4.337 0.000 -8.322) 9.385 3.935 ( -0.192 0.000 -2.997) 3.004 3.981 ( -7.307 0.000 -2.871) 7.851 4.024 ( 4.594 0.000 3.604) 5.839 4.095 ( 2.035 0.000 -2.025) 2.871 4.099 ( -4.024 0.000 -5.502) 6.816 4.179 ( 4.806 0.000 6.751) 8.287 4.259 ( -2.641 0.000 -2.287) 3.494 4.389 ( 1.715 0.000 -1.478) 2.264 4.460 ( 2.114 0.000 -2.963) 3.640 4.476 ( 3.381 0.000 2.778) 4.376 4.478 ( -2.249 0.000 1.702) 2.820 4.623 ( 0.033 0.000 -2.539) 2.540 4.624 ( 5.467 0.000 13.338) 14.415 4.671 ( 2.367 0.000 -0.414) 2.403 4.772 ( 2.791 0.000 -1.820) 3.332 4.778 ( 3.748 0.000 1.972) 4.235 4.954 ( 0.958 0.000 -18.794) 18.819 5.087 ( -2.552 0.000 -2.973) 3.918 5.119 ( -6.472 0.000 -7.623) 10.000 5.219 ( -0.286 0.000 0.788) 0.839 5.229 ( 11.548 0.000 -3.563) 12.085 5.314 ( 2.931 0.000 -5.908) 6.595 5.360 ( 0.225 0.000 1.986) 1.999 5.458 ( 1.174 0.000 -18.062) 18.100 5.476 ( 0.410 0.000 -8.810) 8.819 5.573 ( 0.256 0.000 0.023) 0.257 5.663 ( -9.038 0.000 -5.641) 10.654 6.013 ( 5.784 0.000 -9.284) 10.938 6.041 ( 7.339 0.000 -3.296) 8.045 6.105 ( -1.572 0.000 -0.315) 1.603 6.188 ( 10.198 0.000 6.201) 11.936 6.227 ( 7.135 0.000 3.013) 7.745 6.336 ( 5.773 0.000 3.020) 6.515 6.336 ( -4.481 0.000 -2.256) 5.016 6.462 ( -0.359 0.000 -2.771) 2.794 6.501 ( -2.587 0.000 2.517) 3.610 6.506 ( 9.378 0.000 1.551) 9.505 6.552 ( -3.368 0.000 7.837) 8.531 6.685 ( -2.304 0.000 6.487) 6.884 6.726 ( 3.922 0.000 0.454) 3.948 6.789 ( -1.644 0.000 -4.259) 4.565 6.885 ( -5.196 0.000 9.672) 10.979 6.951 ( -3.155 0.000 5.950) 6.735 7.114 ( 2.227 0.000 1.146) 2.504 7.126 ( -1.909 0.000 -0.183) 1.918 7.178 ( 0.916 0.000 -1.619) 1.860 7.272 ( 2.011 0.000 1.848) 2.731 7.301 ( 1.669 0.000 3.337) 3.731 7.409 ( 1.579 0.000 5.172) 5.407 7.450 ( 0.552 0.000 7.394) 7.414 7.458 ( 1.361 0.000 1.493) 2.020 7.511 ( -0.915 0.000 0.745) 1.180 7.518 ( 2.417 0.000 0.246) 2.430 7.548 ( 2.887 0.000 -0.076) 2.888 7.560 ( 0.623 0.000 3.049) 3.112 7.919 ( -0.195 0.000 1.553) 1.566 8.018 ( 0.602 0.000 -2.731) 2.796 8.031 ( -1.857 0.000 3.437) 3.907 8.108 ( -0.036 0.000 -1.509) 1.509 8.933 ( 0.477 0.000 -1.188) 1.280 8.958 ( 0.499 0.000 -0.175) 0.529 8.979 ( 0.807 0.000 -1.118) 1.379 8.992 ( 0.667 0.000 -0.377) 0.767 9.387 ( -0.101 0.000 -0.121) 0.157 9.431 ( 0.047 0.000 0.383) 0.386 9.438 ( -1.498 0.000 3.047) 3.395 9.467 ( -0.447 0.000 4.739) 4.760 9.672 ( -4.363 0.000 -0.202) 4.368 9.691 ( -4.664 0.000 -0.221) 4.669 9.812 ( -4.559 0.000 0.048) 4.559 9.846 ( -5.985 0.000 -1.103) 6.086 10.027 ( 2.219 0.000 2.372) 3.248 10.040 ( 1.801 0.000 2.900) 3.414 10.217 ( 2.280 0.000 -3.254) 3.973 10.236 ( 2.228 0.000 -3.962) 4.546 10.404 ( -1.172 0.000 1.228) 1.697 10.435 ( -0.029 0.000 2.407) 2.408 10.475 ( 1.662 0.000 -3.960) 4.295 10.532 ( 3.233 0.000 -2.719) 4.224 10.882 ( -1.887 0.000 -3.204) 3.718 10.944 ( -0.995 0.000 -5.060) 5.157 11.310 ( -6.453 0.000 -2.562) 6.943 11.379 ( -5.971 0.000 -5.807) 8.330 ======================= Grid point 78 (46/68) ======================= q-point: (-0.62 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -10.198 0.000 -0.087) 10.199 2.188 ( -3.466 0.000 -5.087) 6.155 2.381 ( 3.855 0.000 4.822) 6.173 2.443 ( 0.140 0.000 1.341) 1.348 2.449 ( 1.103 0.000 -2.719) 2.934 2.460 ( -0.056 0.000 -13.779) 13.779 2.578 ( -0.748 0.000 8.816) 8.848 2.651 ( -2.612 0.000 3.307) 4.215 2.672 ( 3.885 0.000 -1.995) 4.368 2.723 ( 0.563 0.000 -1.352) 1.464 2.798 ( -2.511 0.000 -0.773) 2.627 2.816 ( -2.077 0.000 1.455) 2.536 2.950 ( -2.941 0.000 1.383) 3.249 3.096 ( -0.258 0.000 11.254) 11.257 3.136 ( 9.242 0.000 4.825) 10.426 3.227 ( -6.030 0.000 -1.724) 6.272 3.335 ( 0.711 0.000 -0.755) 1.038 3.371 ( -3.195 0.000 3.271) 4.573 3.438 ( -4.359 0.000 -4.839) 6.512 3.556 ( -1.751 0.000 -6.790) 7.012 3.567 ( 3.158 0.000 -3.945) 5.054 3.614 ( -3.314 0.000 -2.460) 4.128 3.641 ( -7.043 0.000 -8.648) 11.153 3.777 ( 2.325 0.000 0.165) 2.331 3.798 ( -6.756 0.000 -6.863) 9.631 3.892 ( 0.501 0.000 1.025) 1.141 3.903 ( -2.292 0.000 -5.125) 5.614 3.983 ( 1.574 0.000 0.377) 1.618 4.098 ( -0.983 0.000 -1.308) 1.636 4.198 ( 2.651 0.000 -2.068) 3.362 4.243 ( 5.366 0.000 8.829) 10.331 4.352 ( 4.189 0.000 9.145) 10.059 4.382 ( 0.703 0.000 -4.942) 4.992 4.414 ( -1.161 0.000 -4.036) 4.200 4.494 ( 1.478 0.000 1.395) 2.032 4.536 ( -2.026 0.000 -0.288) 2.047 4.585 ( -1.800 0.000 -0.904) 2.014 4.610 ( -0.680 0.000 -2.246) 2.347 4.624 ( -6.203 0.000 -0.011) 6.203 4.710 ( -5.560 0.000 -1.467) 5.751 4.769 ( -4.273 0.000 -16.455) 17.001 5.005 ( -3.273 0.000 -5.421) 6.333 5.036 ( 2.347 0.000 -6.544) 6.952 5.040 ( 2.249 0.000 15.373) 15.537 5.163 ( -3.291 0.000 3.256) 4.629 5.275 ( -11.489 0.000 4.252) 12.251 5.294 ( 2.055 0.000 -10.466) 10.666 5.335 ( -0.292 0.000 -11.244) 11.247 5.402 ( -1.699 0.000 -10.144) 10.285 5.450 ( 2.952 0.000 -10.651) 11.052 5.459 ( -2.938 0.000 -3.644) 4.681 5.623 ( 5.885 0.000 11.598) 13.006 6.018 ( -6.966 0.000 7.279) 10.075 6.021 ( 2.266 0.000 -8.968) 9.250 6.119 ( 1.604 0.000 -5.304) 5.541 6.173 ( -7.491 0.000 -1.519) 7.643 6.334 ( 5.993 0.000 2.215) 6.389 6.367 ( 4.130 0.000 2.430) 4.792 6.445 ( -5.757 0.000 3.322) 6.647 6.483 ( 3.960 0.000 -1.651) 4.290 6.489 ( 1.168 0.000 5.217) 5.346 6.597 ( 2.723 0.000 7.584) 8.058 6.617 ( 0.662 0.000 -0.661) 0.936 6.743 ( 2.453 0.000 6.051) 6.529 6.820 ( 7.697 0.000 -3.114) 8.303 6.825 ( 6.426 0.000 3.664) 7.398 6.902 ( 0.454 0.000 7.720) 7.734 6.967 ( 0.422 0.000 4.336) 4.357 7.074 ( -1.682 0.000 -2.453) 2.974 7.128 ( -0.546 0.000 -0.523) 0.756 7.219 ( 4.300 0.000 -1.730) 4.634 7.290 ( -0.316 0.000 -1.636) 1.667 7.352 ( 0.925 0.000 2.726) 2.879 7.457 ( -1.172 0.000 0.418) 1.244 7.469 ( -0.550 0.000 -0.126) 0.565 7.481 ( 1.410 0.000 6.324) 6.479 7.494 ( -2.058 0.000 0.842) 2.224 7.590 ( 5.179 0.000 0.304) 5.188 7.649 ( 4.195 0.000 7.807) 8.863 7.658 ( 4.406 0.000 7.804) 8.962 7.929 ( 0.413 0.000 1.329) 1.391 8.002 ( 0.500 0.000 -2.902) 2.945 8.036 ( -0.571 0.000 3.803) 3.846 8.126 ( 2.946 0.000 -0.863) 3.070 8.944 ( 1.441 0.000 -0.677) 1.592 8.977 ( 1.621 0.000 0.119) 1.626 8.979 ( 0.032 0.000 -0.948) 0.949 8.997 ( -0.131 0.000 0.095) 0.162 9.405 ( 1.817 0.000 0.302) 1.842 9.425 ( -2.101 0.000 2.716) 3.434 9.450 ( 1.346 0.000 0.966) 1.657 9.477 ( -2.243 0.000 4.277) 4.829 9.603 ( -3.071 0.000 0.335) 3.089 9.615 ( -3.586 0.000 -0.042) 3.586 9.725 ( -5.557 0.000 -2.281) 6.007 9.729 ( -3.358 0.000 -1.987) 3.901 10.069 ( 0.155 0.000 3.104) 3.107 10.086 ( 0.411 0.000 3.888) 3.910 10.217 ( 0.855 0.000 -4.010) 4.100 10.244 ( 2.027 0.000 -3.587) 4.120 10.397 ( 0.015 0.000 0.258) 0.259 10.466 ( 1.154 0.000 3.511) 3.696 10.487 ( 3.150 0.000 -4.927) 5.848 10.584 ( 3.990 0.000 -1.434) 4.240 10.812 ( -2.667 0.000 -4.647) 5.358 10.866 ( -2.882 0.000 -6.982) 7.554 11.159 ( -7.055 0.000 -4.683) 8.468 11.217 ( -6.733 0.000 -6.875) 9.623 ======================= Grid point 79 (47/68) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -14.469 0.000 3.334) 14.848 1.935 ( -17.557 0.000 -5.234) 18.320 2.317 ( 2.657 0.000 -18.039) 18.234 2.330 ( 1.777 0.000 -9.543) 9.707 2.517 ( 1.830 0.000 0.646) 1.941 2.528 ( 2.218 0.000 3.439) 4.092 2.676 ( 2.736 0.000 -0.816) 2.855 2.681 ( 1.759 0.000 0.920) 1.985 2.763 ( 4.238 0.000 3.521) 5.510 2.787 ( -2.016 0.000 4.444) 4.880 2.826 ( 13.514 0.000 -1.265) 13.573 2.830 ( 5.578 0.000 0.627) 5.613 2.967 ( 3.724 0.000 3.640) 5.207 3.206 ( 1.014 0.000 -1.081) 1.483 3.236 ( -6.676 0.000 -7.345) 9.926 3.275 ( 8.374 0.000 12.967) 15.436 3.314 ( 2.110 0.000 -7.783) 8.064 3.317 ( -3.888 0.000 5.933) 7.094 3.400 ( 8.773 0.000 -1.753) 8.947 3.461 ( -1.481 0.000 -5.747) 5.934 3.507 ( 0.351 0.000 -11.090) 11.095 3.578 ( 1.782 0.000 4.442) 4.787 3.655 ( 4.978 0.000 -0.281) 4.986 3.736 ( 2.147 0.000 0.832) 2.303 3.738 ( -1.024 0.000 -7.515) 7.585 3.787 ( -4.895 0.000 -3.795) 6.194 3.889 ( -0.081 0.000 -0.578) 0.584 4.032 ( -4.779 0.000 0.902) 4.863 4.129 ( 7.433 0.000 -2.520) 7.849 4.152 ( -2.969 0.000 -4.660) 5.525 4.285 ( -8.216 0.000 -2.644) 8.631 4.290 ( -4.884 0.000 -8.011) 9.383 4.429 ( -3.831 0.000 -0.802) 3.914 4.443 ( -0.470 0.000 0.698) 0.841 4.471 ( 5.448 0.000 9.434) 10.894 4.543 ( -0.503 0.000 -2.233) 2.289 4.557 ( 0.710 0.000 1.691) 1.834 4.563 ( -3.946 0.000 -2.619) 4.736 4.608 ( 6.011 0.000 9.792) 11.490 4.639 ( 1.016 0.000 -4.330) 4.448 4.720 ( 0.685 0.000 8.692) 8.719 4.919 ( -11.905 0.000 3.328) 12.361 4.921 ( -8.210 0.000 3.943) 9.108 4.999 ( -4.820 0.000 -5.793) 7.536 5.092 ( -8.875 0.000 1.423) 8.988 5.126 ( -8.048 0.000 -0.409) 8.059 5.133 ( -5.299 0.000 -8.095) 9.675 5.211 ( -5.599 0.000 -8.183) 9.915 5.242 ( -9.103 0.000 0.983) 9.156 5.467 ( 6.147 0.000 -8.434) 10.436 5.643 ( 11.711 0.000 9.894) 15.331 5.818 ( 5.533 0.000 8.064) 9.780 5.956 ( -2.786 0.000 0.167) 2.791 5.963 ( -3.220 0.000 -1.637) 3.613 6.030 ( -8.540 0.000 -0.949) 8.593 6.058 ( -3.942 0.000 -5.221) 6.542 6.371 ( 0.535 0.000 -2.493) 2.550 6.440 ( 4.348 0.000 -2.226) 4.884 6.462 ( 5.767 0.000 3.196) 6.593 6.513 ( -0.973 0.000 -0.057) 0.974 6.518 ( -6.534 0.000 10.199) 12.113 6.645 ( 5.099 0.000 -2.106) 5.517 6.661 ( 1.532 0.000 3.360) 3.692 6.767 ( -5.211 0.000 6.642) 8.442 6.948 ( 4.679 0.000 4.884) 6.763 6.954 ( 2.399 0.000 3.782) 4.479 6.976 ( 2.493 0.000 0.022) 2.493 6.991 ( 4.374 0.000 -4.527) 6.295 7.066 ( 1.055 0.000 1.052) 1.489 7.112 ( 0.491 0.000 -1.473) 1.552 7.244 ( -0.903 0.000 -1.605) 1.842 7.254 ( -0.344 0.000 -5.173) 5.185 7.404 ( 1.476 0.000 0.578) 1.585 7.437 ( -1.953 0.000 1.396) 2.401 7.455 ( -1.777 0.000 -0.310) 1.803 7.475 ( 4.299 0.000 -0.524) 4.331 7.531 ( -0.457 0.000 4.615) 4.638 7.683 ( 4.434 0.000 -0.802) 4.506 7.765 ( 2.288 0.000 4.663) 5.194 7.772 ( 4.466 0.000 3.806) 5.868 7.961 ( 2.559 0.000 0.346) 2.582 8.005 ( 1.907 0.000 -2.674) 3.284 8.055 ( -0.465 0.000 3.703) 3.732 8.191 ( 4.966 0.000 -1.644) 5.231 8.967 ( -0.744 0.000 -0.853) 1.132 8.970 ( 1.770 0.000 -0.427) 1.821 8.991 ( -0.532 0.000 0.198) 0.568 9.016 ( 2.696 0.000 -0.244) 2.707 9.409 ( -1.347 0.000 2.039) 2.443 9.442 ( 1.837 0.000 0.092) 1.839 9.450 ( -2.928 0.000 2.437) 3.810 9.481 ( 1.220 0.000 1.158) 1.682 9.567 ( -1.852 0.000 1.291) 2.258 9.582 ( -0.621 0.000 2.452) 2.530 9.639 ( -1.886 0.000 -2.230) 2.920 9.688 ( 0.538 0.000 -2.558) 2.614 10.078 ( -1.458 0.000 3.426) 3.723 10.108 ( -0.982 0.000 4.214) 4.327 10.208 ( 1.315 0.000 -3.301) 3.553 10.257 ( 2.096 0.000 -3.336) 3.939 10.405 ( 0.451 0.000 -0.590) 0.743 10.506 ( 2.729 0.000 -6.237) 6.808 10.519 ( 1.402 0.000 4.171) 4.401 10.638 ( 2.627 0.000 -1.378) 2.966 10.740 ( -1.713 0.000 -3.158) 3.593 10.755 ( -3.901 0.000 -5.667) 6.880 11.017 ( -4.962 0.000 -3.545) 6.098 11.069 ( -4.178 0.000 -5.363) 6.798 ======================= Grid point 80 (48/68) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -14.379 0.000 11.829) 18.619 1.730 ( -13.766 0.000 13.035) 18.959 2.315 ( 7.833 0.000 -8.984) 11.919 2.345 ( 5.424 0.000 -6.366) 8.364 2.536 ( -2.377 0.000 1.095) 2.617 2.558 ( 1.208 0.000 1.294) 1.771 2.659 ( -3.778 0.000 -1.301) 3.996 2.691 ( -0.622 0.000 0.251) 0.670 2.795 ( 0.194 0.000 3.005) 3.011 2.873 ( 3.795 0.000 -1.436) 4.058 2.949 ( 6.595 0.000 -0.777) 6.641 3.055 ( 0.439 0.000 5.117) 5.135 3.073 ( 15.320 0.000 -2.994) 15.610 3.137 ( 1.759 0.000 1.058) 2.053 3.215 ( 0.392 0.000 5.902) 5.915 3.257 ( 2.305 0.000 -12.463) 12.674 3.352 ( 3.396 0.000 -3.519) 4.891 3.420 ( 1.802 0.000 -2.148) 2.804 3.449 ( 4.218 0.000 -8.143) 9.171 3.524 ( 11.581 0.000 5.293) 12.733 3.548 ( 6.825 0.000 -1.918) 7.089 3.657 ( 6.049 0.000 -12.538) 13.921 3.673 ( 0.301 0.000 -7.682) 7.688 3.730 ( -4.818 0.000 0.784) 4.881 3.785 ( 7.410 0.000 1.668) 7.595 3.834 ( 7.982 0.000 5.239) 9.548 3.925 ( 2.637 0.000 7.049) 7.526 3.964 ( -6.116 0.000 2.406) 6.572 3.996 ( -4.850 0.000 -9.872) 10.999 4.135 ( -2.630 0.000 0.420) 2.663 4.157 ( 2.400 0.000 -7.203) 7.592 4.224 ( -0.806 0.000 -1.496) 1.699 4.342 ( -3.181 0.000 -3.729) 4.901 4.403 ( -8.831 0.000 -0.196) 8.833 4.449 ( -1.059 0.000 4.109) 4.243 4.499 ( -1.430 0.000 2.008) 2.465 4.582 ( -1.940 0.000 0.150) 1.945 4.635 ( -0.769 0.000 0.126) 0.780 4.688 ( -14.134 0.000 11.671) 18.330 4.708 ( 6.562 0.000 8.434) 10.686 4.774 ( 0.206 0.000 -2.973) 2.980 4.793 ( -6.871 0.000 3.626) 7.769 4.867 ( -0.982 0.000 8.101) 8.160 4.867 ( 2.293 0.000 4.622) 5.159 4.912 ( -6.856 0.000 -5.889) 9.038 5.007 ( -12.783 0.000 6.273) 14.239 5.021 ( -3.501 0.000 1.515) 3.814 5.103 ( -0.089 0.000 -1.455) 1.458 5.133 ( 0.526 0.000 -0.216) 0.568 5.504 ( 0.028 0.000 -0.052) 0.059 5.793 ( -15.032 0.000 9.851) 17.972 5.860 ( -3.645 0.000 1.714) 4.028 5.866 ( 3.225 0.000 1.838) 3.712 5.915 ( -0.932 0.000 -8.394) 8.446 5.982 ( 1.219 0.000 -2.393) 2.685 5.989 ( 4.610 0.000 1.169) 4.756 6.395 ( -11.113 0.000 10.966) 15.613 6.434 ( 4.933 0.000 -5.380) 7.299 6.457 ( -2.647 0.000 -0.969) 2.819 6.483 ( -1.851 0.000 -1.320) 2.273 6.584 ( 4.504 0.000 3.312) 5.591 6.690 ( -3.351 0.000 0.730) 3.430 6.704 ( 2.358 0.000 -0.828) 2.499 6.716 ( 2.431 0.000 -1.526) 2.870 6.950 ( -3.596 0.000 -0.955) 3.721 6.968 ( 3.278 0.000 -7.628) 8.302 7.050 ( 2.072 0.000 4.684) 5.122 7.066 ( 2.733 0.000 0.012) 2.733 7.092 ( 0.609 0.000 1.386) 1.514 7.120 ( 0.912 0.000 -1.797) 2.015 7.217 ( -1.068 0.000 2.721) 2.924 7.219 ( 0.376 0.000 -5.075) 5.089 7.385 ( -3.049 0.000 2.159) 3.736 7.399 ( -2.810 0.000 2.200) 3.569 7.446 ( 0.810 0.000 -2.105) 2.255 7.530 ( -2.441 0.000 3.046) 3.904 7.572 ( 5.874 0.000 -5.506) 8.051 7.724 ( 1.332 0.000 -1.354) 1.899 7.807 ( 0.958 0.000 -0.330) 1.013 7.846 ( 2.356 0.000 -1.188) 2.638 8.013 ( 3.490 0.000 -3.044) 4.631 8.022 ( 1.997 0.000 -3.158) 3.737 8.072 ( 0.631 0.000 1.759) 1.868 8.252 ( 3.593 0.000 -4.528) 5.781 8.943 ( -1.001 0.000 -0.988) 1.406 8.981 ( -0.494 0.000 -0.291) 0.573 8.993 ( 1.253 0.000 -1.089) 1.660 9.055 ( 2.068 0.000 -1.789) 2.735 9.405 ( -0.669 0.000 0.757) 1.010 9.429 ( -1.259 0.000 2.437) 2.743 9.474 ( 2.035 0.000 0.349) 2.065 9.524 ( 2.832 0.000 1.712) 3.309 9.577 ( 1.675 0.000 3.857) 4.205 9.623 ( 0.755 0.000 -0.907) 1.180 9.627 ( 3.884 0.000 3.622) 5.311 9.689 ( 0.926 0.000 -3.078) 3.214 10.074 ( -1.532 0.000 3.532) 3.850 10.120 ( -0.512 0.000 3.462) 3.500 10.213 ( 1.080 0.000 -2.973) 3.163 10.265 ( 1.108 0.000 -4.079) 4.226 10.384 ( -1.875 0.000 -1.903) 2.672 10.461 ( -2.098 0.000 -7.084) 7.388 10.553 ( -0.934 0.000 2.636) 2.797 10.624 ( -1.940 0.000 -4.116) 4.551 10.711 ( 1.638 0.000 0.682) 1.774 10.721 ( 0.791 0.000 -0.169) 0.809 10.971 ( 1.070 0.000 3.244) 3.416 11.028 ( 2.099 0.000 0.380) 2.133 ======================= Grid point 81 (49/68) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -2.344 0.000 30.410) 30.500 1.653 ( -8.606 0.000 23.327) 24.864 2.386 ( 0.729 0.000 -4.761) 4.816 2.387 ( -3.652 0.000 0.344) 3.668 2.486 ( -2.013 0.000 3.253) 3.825 2.525 ( 2.174 0.000 -2.350) 3.202 2.616 ( -0.728 0.000 1.854) 1.992 2.671 ( -4.776 0.000 7.931) 9.258 2.848 ( 1.016 0.000 7.090) 7.162 2.918 ( 6.338 0.000 -6.234) 8.890 3.041 ( 5.420 0.000 -1.335) 5.582 3.114 ( 3.059 0.000 0.411) 3.087 3.199 ( -2.931 0.000 8.115) 8.628 3.210 ( -2.912 0.000 4.132) 5.055 3.245 ( -1.830 0.000 1.656) 2.469 3.256 ( 6.942 0.000 -5.122) 8.627 3.417 ( 12.376 0.000 -11.974) 17.220 3.493 ( 4.527 0.000 4.159) 6.148 3.541 ( 3.669 0.000 1.086) 3.827 3.562 ( 1.354 0.000 -6.432) 6.573 3.607 ( -7.102 0.000 3.668) 7.994 3.671 ( 9.718 0.000 -14.503) 17.458 3.732 ( 1.461 0.000 4.763) 4.982 3.795 ( 11.622 0.000 -10.753) 15.833 3.822 ( 0.196 0.000 -0.699) 0.726 3.889 ( 8.772 0.000 -1.953) 8.987 3.964 ( 8.130 0.000 -0.066) 8.130 3.980 ( 9.540 0.000 -5.789) 11.159 4.020 ( 3.813 0.000 -7.119) 8.076 4.157 ( 1.586 0.000 -8.730) 8.873 4.185 ( -2.991 0.000 -0.195) 2.997 4.194 ( -2.098 0.000 4.160) 4.659 4.308 ( 5.154 0.000 11.492) 12.594 4.380 ( 1.977 0.000 2.257) 3.000 4.388 ( -8.712 0.000 4.438) 9.777 4.451 ( -7.332 0.000 3.465) 8.109 4.487 ( -4.883 0.000 1.042) 4.993 4.540 ( -9.550 0.000 3.265) 10.093 4.602 ( -3.418 0.000 1.934) 3.927 4.664 ( -7.429 0.000 -0.011) 7.429 4.669 ( -4.936 0.000 3.317) 5.947 4.793 ( -2.062 0.000 -1.342) 2.460 4.797 ( -10.491 0.000 0.527) 10.504 4.919 ( 8.219 0.000 6.724) 10.619 4.965 ( 0.384 0.000 1.860) 1.900 4.988 ( 5.809 0.000 8.241) 10.083 4.998 ( 3.532 0.000 4.538) 5.750 5.214 ( 5.984 0.000 6.160) 8.588 5.259 ( 8.321 0.000 7.054) 10.908 5.454 ( -6.839 0.000 4.850) 8.384 5.556 ( -15.851 0.000 7.852) 17.689 5.744 ( -3.692 0.000 -20.354) 20.686 5.848 ( 0.448 0.000 0.069) 0.453 5.907 ( 0.756 0.000 -1.570) 1.742 6.058 ( 4.090 0.000 7.008) 8.114 6.094 ( 3.419 0.000 4.078) 5.322 6.221 ( -12.586 0.000 6.819) 14.314 6.323 ( -10.712 0.000 3.178) 11.173 6.436 ( -0.714 0.000 -7.352) 7.387 6.494 ( 1.967 0.000 -4.855) 5.238 6.631 ( 1.309 0.000 -2.607) 2.917 6.643 ( -1.835 0.000 -2.607) 3.188 6.741 ( 2.056 0.000 -3.630) 4.172 6.762 ( 3.705 0.000 -1.930) 4.177 6.862 ( -4.140 0.000 -0.267) 4.149 6.959 ( -0.030 0.000 -3.353) 3.354 7.086 ( -0.829 0.000 1.925) 2.096 7.087 ( 0.972 0.000 -1.223) 1.562 7.095 ( -0.741 0.000 -1.034) 1.273 7.104 ( -1.000 0.000 -1.555) 1.849 7.200 ( 0.168 0.000 -0.732) 0.751 7.256 ( 2.398 0.000 2.494) 3.460 7.342 ( -3.632 0.000 3.092) 4.769 7.376 ( -2.183 0.000 1.615) 2.715 7.435 ( 0.198 0.000 -3.361) 3.367 7.498 ( -2.341 0.000 1.050) 2.565 7.584 ( 0.636 0.000 -6.104) 6.137 7.718 ( -0.585 0.000 -2.355) 2.427 7.798 ( -0.337 0.000 -4.161) 4.174 7.829 ( -1.349 0.000 -5.475) 5.639 8.020 ( 0.144 0.000 -3.348) 3.351 8.027 ( 1.208 0.000 -3.497) 3.700 8.104 ( 2.564 0.000 -3.048) 3.983 8.247 ( 0.638 0.000 -6.855) 6.884 8.924 ( -0.248 0.000 -0.959) 0.991 8.972 ( -0.054 0.000 -0.824) 0.826 8.998 ( 0.454 0.000 -1.902) 1.956 9.058 ( 0.213 0.000 -3.039) 3.047 9.396 ( -0.496 0.000 -0.146) 0.517 9.417 ( -1.424 0.000 0.933) 1.703 9.517 ( 1.950 0.000 -0.121) 1.954 9.604 ( 4.469 0.000 1.992) 4.893 9.641 ( 0.728 0.000 0.889) 1.149 9.660 ( -0.947 0.000 -2.844) 2.997 9.684 ( 5.604 0.000 6.160) 8.327 9.771 ( 8.430 0.000 2.936) 8.927 10.074 ( -1.539 0.000 3.610) 3.924 10.134 ( -0.290 0.000 1.502) 1.530 10.175 ( -3.406 0.000 -5.309) 6.308 10.194 ( -3.929 0.000 -5.035) 6.387 10.337 ( -1.717 0.000 0.136) 1.722 10.428 ( 2.146 0.000 -0.730) 2.267 10.518 ( -3.264 0.000 -0.073) 3.264 10.560 ( -1.566 0.000 -3.245) 3.603 10.762 ( 2.577 0.000 2.852) 3.844 10.780 ( 4.489 0.000 1.665) 4.788 11.092 ( 6.350 0.000 8.689) 10.762 11.141 ( 7.871 0.000 5.212) 9.440 ======================= Grid point 82 (50/68) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.031 0.000 29.533) 29.533 1.895 ( 1.068 0.000 32.697) 32.715 2.239 ( -10.676 0.000 6.534) 12.517 2.302 ( -6.819 0.000 3.202) 7.533 2.538 ( 2.338 0.000 2.376) 3.334 2.602 ( 0.966 0.000 -2.929) 3.084 2.613 ( 3.688 0.000 -1.687) 4.055 2.618 ( -9.778 0.000 15.940) 18.700 2.884 ( -6.553 0.000 18.986) 20.086 2.997 ( 5.643 0.000 -7.245) 9.183 3.115 ( 0.977 0.000 4.175) 4.288 3.128 ( -3.163 0.000 -8.218) 8.806 3.177 ( -12.081 0.000 15.667) 19.784 3.181 ( -1.863 0.000 -0.157) 1.869 3.207 ( 6.776 0.000 -6.365) 9.297 3.337 ( 7.264 0.000 -3.171) 7.926 3.445 ( 5.102 0.000 -3.658) 6.278 3.509 ( -6.014 0.000 0.902) 6.081 3.569 ( 6.977 0.000 -3.068) 7.622 3.609 ( 1.078 0.000 3.604) 3.762 3.689 ( 8.092 0.000 -0.243) 8.095 3.750 ( -2.184 0.000 5.164) 5.607 3.752 ( 5.580 0.000 -4.043) 6.891 3.834 ( -1.457 0.000 2.723) 3.089 3.865 ( 4.236 0.000 -7.431) 8.553 4.028 ( 0.170 0.000 -0.859) 0.876 4.042 ( 4.135 0.000 -9.067) 9.965 4.098 ( 5.218 0.000 -3.552) 6.312 4.126 ( 8.818 0.000 -8.354) 12.147 4.146 ( -3.325 0.000 5.823) 6.705 4.248 ( 19.251 0.000 -8.596) 21.083 4.251 ( 13.493 0.000 -1.936) 13.631 4.302 ( -2.541 0.000 -0.399) 2.572 4.334 ( -3.403 0.000 -1.459) 3.702 4.338 ( -7.078 0.000 3.273) 7.798 4.373 ( -2.599 0.000 -3.290) 4.192 4.481 ( 2.080 0.000 4.570) 5.021 4.529 ( -7.756 0.000 5.379) 9.439 4.542 ( -0.709 0.000 3.341) 3.415 4.584 ( -4.869 0.000 -1.131) 4.999 4.602 ( -5.535 0.000 9.860) 11.307 4.711 ( 0.927 0.000 7.788) 7.843 4.717 ( -1.819 0.000 8.381) 8.576 5.104 ( 9.618 0.000 2.076) 9.840 5.132 ( 10.046 0.000 2.282) 10.301 5.145 ( 9.737 0.000 2.720) 10.110 5.177 ( 11.571 0.000 3.735) 12.159 5.239 ( -10.267 0.000 9.738) 14.151 5.320 ( -8.142 0.000 5.756) 9.971 5.378 ( -0.676 0.000 -11.550) 11.570 5.507 ( 6.005 0.000 9.475) 11.218 5.567 ( 0.814 0.000 -14.066) 14.090 5.858 ( -1.057 0.000 1.365) 1.726 5.881 ( 1.192 0.000 -8.676) 8.757 6.068 ( -7.256 0.000 3.069) 7.878 6.075 ( -8.528 0.000 0.079) 8.528 6.204 ( 4.673 0.000 6.968) 8.390 6.264 ( 2.314 0.000 5.570) 6.032 6.354 ( -0.862 0.000 -10.013) 10.050 6.441 ( -2.804 0.000 -4.508) 5.309 6.580 ( -2.716 0.000 -2.614) 3.770 6.586 ( -4.496 0.000 -3.791) 5.880 6.714 ( -2.782 0.000 -2.192) 3.542 6.735 ( 1.022 0.000 -5.414) 5.510 6.889 ( 3.919 0.000 -1.939) 4.372 6.924 ( -4.599 0.000 3.123) 5.559 7.023 ( -4.126 0.000 -0.055) 4.127 7.050 ( -3.047 0.000 -0.656) 3.116 7.089 ( -0.404 0.000 0.626) 0.744 7.126 ( 1.646 0.000 0.988) 1.920 7.206 ( -0.091 0.000 1.201) 1.204 7.291 ( -1.489 0.000 1.569) 2.163 7.311 ( -6.101 0.000 1.930) 6.399 7.325 ( 2.076 0.000 -1.547) 2.589 7.411 ( -1.121 0.000 -1.443) 1.828 7.485 ( 1.832 0.000 -3.051) 3.559 7.536 ( -1.375 0.000 -3.960) 4.192 7.663 ( -2.931 0.000 -4.544) 5.408 7.732 ( -3.202 0.000 -5.811) 6.635 7.741 ( -2.695 0.000 -8.668) 9.077 7.982 ( -1.837 0.000 -2.275) 2.924 8.015 ( 0.385 0.000 -3.478) 3.500 8.104 ( -0.382 0.000 -1.985) 2.021 8.202 ( -0.121 0.000 -5.642) 5.643 8.922 ( 0.762 0.000 -0.795) 1.102 8.969 ( 0.549 0.000 -1.121) 1.249 8.984 ( -0.427 0.000 -1.853) 1.902 9.028 ( -0.992 0.000 -3.035) 3.193 9.390 ( 0.178 0.000 -0.171) 0.246 9.406 ( -0.472 0.000 1.511) 1.584 9.519 ( -1.013 0.000 -1.286) 1.637 9.575 ( -3.952 0.000 -2.748) 4.813 9.707 ( 5.164 0.000 2.516) 5.745 9.717 ( 3.988 0.000 2.838) 4.895 9.821 ( 3.825 0.000 5.304) 6.539 9.887 ( 0.964 0.000 0.078) 0.968 10.063 ( -2.548 0.000 3.235) 4.118 10.080 ( 0.046 0.000 -2.594) 2.594 10.115 ( -1.411 0.000 -3.423) 3.703 10.117 ( -2.360 0.000 0.197) 2.368 10.344 ( 1.007 0.000 3.016) 3.179 10.463 ( -2.483 0.000 -0.078) 2.484 10.472 ( 2.509 0.000 -0.989) 2.697 10.529 ( 0.117 0.000 -2.723) 2.725 10.836 ( 2.693 0.000 3.846) 4.695 10.873 ( 4.365 0.000 1.197) 4.527 11.270 ( 6.018 0.000 8.214) 10.183 11.344 ( 9.702 0.000 3.967) 10.482 ======================= Grid point 83 (51/68) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 1.948 -4.569 27.478) 27.923 1.924 ( -2.443 -8.105 20.877) 22.528 2.200 ( -9.430 6.942 27.263) 29.671 2.330 ( -14.128 -6.465 21.840) 26.803 2.527 ( -5.515 12.705 2.359) 14.050 2.617 ( 0.321 1.527 -4.784) 5.032 2.694 ( -2.760 6.009 -2.515) 7.075 2.798 ( 6.221 8.583 -0.706) 10.624 2.890 ( -5.557 -9.321 -5.899) 12.352 2.918 ( 3.166 -1.589 -0.694) 3.610 2.958 ( -3.271 -2.188 0.802) 4.016 3.023 ( -5.966 -6.244 5.119) 10.039 3.151 ( -2.717 2.683 0.133) 3.821 3.178 ( -6.227 1.070 4.922) 8.009 3.317 ( 1.312 4.006 -0.679) 4.270 3.385 ( 1.989 0.308 -3.830) 4.327 3.443 ( -0.394 3.329 -1.055) 3.515 3.512 ( 1.630 -3.279 -1.612) 4.001 3.570 ( -4.523 -0.814 9.059) 10.158 3.683 ( -2.181 -1.870 3.440) 4.482 3.708 ( 1.522 -3.650 3.125) 5.041 3.765 ( -1.308 0.627 2.090) 2.544 3.789 ( 2.162 -1.693 1.466) 3.113 3.856 ( 0.456 -5.212 -1.297) 5.390 3.922 ( 1.703 6.439 -0.640) 6.691 3.972 ( 3.013 2.791 4.064) 5.778 4.022 ( 2.905 3.628 -1.084) 4.772 4.095 ( -1.207 -1.958 -1.216) 2.602 4.124 ( -1.657 -1.273 4.559) 5.014 4.172 ( 2.917 -4.629 4.688) 7.205 4.230 ( 0.128 0.329 3.706) 3.723 4.268 ( -7.153 -2.220 3.867) 8.429 4.342 ( -0.525 -0.018 -1.009) 1.138 4.350 ( 1.642 -1.247 -2.079) 2.928 4.357 ( -4.327 0.943 -0.554) 4.463 4.405 ( 2.794 -2.955 -3.812) 5.574 4.485 ( 0.974 0.938 -3.498) 3.750 4.506 ( 4.623 -0.090 -3.263) 5.659 4.556 ( 11.412 1.962 -4.184) 12.312 4.587 ( 9.829 0.716 -3.354) 10.410 4.642 ( 5.800 -0.006 -0.396) 5.814 4.691 ( 3.700 -3.730 3.134) 6.117 5.057 ( -6.221 0.234 1.591) 6.425 5.088 ( -4.984 -2.375 -5.423) 7.740 5.195 ( 7.330 0.366 -0.693) 7.372 5.231 ( 8.698 -3.526 -0.960) 9.435 5.300 ( 4.709 12.473 6.176) 14.693 5.374 ( 3.088 4.448 -7.171) 8.986 5.453 ( 8.033 3.204 4.434) 9.718 5.538 ( 4.391 9.202 -4.654) 11.208 5.617 ( 5.971 0.662 1.656) 6.232 5.670 ( 5.905 -4.971 -5.232) 9.325 5.743 ( 3.958 -5.239 -1.972) 6.856 5.806 ( 3.553 -3.752 -4.964) 7.165 5.851 ( 2.251 -1.083 -3.062) 3.951 5.890 ( -2.029 -7.130 -2.818) 7.931 6.301 ( 0.432 2.211 1.213) 2.559 6.334 ( -2.299 -0.442 -2.749) 3.611 6.347 ( -2.187 1.989 -1.781) 3.452 6.373 ( 1.564 -0.324 -0.895) 1.831 6.543 ( -5.457 4.163 1.865) 7.113 6.575 ( 1.144 4.218 -0.881) 4.458 6.637 ( -4.876 -4.606 -0.711) 6.745 6.663 ( 3.104 -4.183 -4.213) 6.700 6.857 ( -6.600 2.267 3.344) 7.739 6.889 ( -3.631 -0.267 1.036) 3.785 6.964 ( -2.847 -0.597 2.039) 3.552 6.978 ( -2.943 -1.245 2.315) 3.946 7.107 ( -1.173 1.019 0.901) 1.796 7.124 ( -3.000 -0.334 0.224) 3.027 7.232 ( -0.470 1.823 0.203) 1.894 7.256 ( -1.664 -0.008 1.917) 2.538 7.270 ( -0.676 0.715 2.890) 3.053 7.300 ( 1.459 -2.194 -2.060) 3.344 7.428 ( -1.613 2.918 -1.897) 3.836 7.482 ( -1.203 -2.195 -1.881) 3.131 7.520 ( 0.780 1.893 -5.091) 5.488 7.564 ( -2.604 -0.561 -5.388) 6.010 7.580 ( -2.612 -1.150 -5.630) 6.312 7.611 ( -3.516 -1.840 -5.787) 7.017 7.967 ( -1.930 2.625 1.209) 3.475 8.014 ( -0.680 -1.199 0.587) 1.498 8.082 ( -0.753 2.250 -2.142) 3.196 8.141 ( -0.183 -2.692 -3.561) 4.467 8.948 ( 1.327 0.838 -0.847) 1.784 8.962 ( 0.304 -0.278 -1.071) 1.147 8.972 ( -0.084 0.122 -1.679) 1.686 8.981 ( -1.057 -0.592 -2.046) 2.378 9.407 ( 0.433 0.281 1.557) 1.641 9.414 ( 0.127 -0.396 1.688) 1.738 9.482 ( -2.845 0.691 -1.021) 3.101 9.492 ( -2.864 -0.256 -1.136) 3.092 9.803 ( 3.055 0.226 2.690) 4.077 9.813 ( 3.503 -0.707 2.637) 4.441 9.842 ( -3.268 0.735 0.931) 3.477 9.851 ( -2.645 -0.062 1.038) 2.842 10.035 ( -3.438 0.566 2.333) 4.193 10.051 ( -3.690 -0.894 1.238) 3.993 10.127 ( 4.613 0.599 -2.202) 5.147 10.137 ( 4.847 -0.362 -2.307) 5.380 10.399 ( 0.561 0.973 2.575) 2.809 10.421 ( -0.489 -1.115 1.511) 1.940 10.498 ( 0.480 0.697 -2.181) 2.339 10.511 ( 0.727 -0.577 -2.925) 3.069 10.909 ( 1.824 1.065 1.951) 2.875 10.932 ( 2.527 -1.055 0.793) 2.851 11.412 ( 2.480 2.003 3.707) 4.890 11.460 ( 3.733 -2.504 0.851) 4.575 ======================= Grid point 84 (52/68) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -1.486 -0.542 20.252) 20.313 2.076 ( -1.678 -2.976 21.722) 21.989 2.269 ( -5.870 0.765 21.811) 22.600 2.326 ( 0.595 -5.055 23.903) 24.439 2.458 ( -4.771 11.409 5.030) 13.350 2.517 ( -6.989 7.418 -1.315) 10.276 2.624 ( -2.013 -5.327 -8.719) 10.414 2.739 ( -6.584 -9.500 -4.123) 12.272 2.827 ( -3.464 3.050 2.084) 5.064 2.895 ( -0.074 4.585 -1.033) 4.700 2.954 ( -3.405 -5.479 2.865) 7.058 3.022 ( -0.552 -3.549 0.328) 3.607 3.045 ( -7.270 2.217 2.437) 7.982 3.103 ( -2.084 -1.142 -4.315) 4.926 3.257 ( -5.097 4.916 -1.768) 7.298 3.316 ( -5.300 -2.038 -3.733) 6.795 3.462 ( -1.828 7.850 5.168) 9.574 3.488 ( -4.044 1.069 -0.763) 4.252 3.555 ( 5.426 -2.485 -4.150) 7.269 3.618 ( -5.260 -6.561 1.309) 8.511 3.699 ( -4.546 -1.153 -0.533) 4.720 3.719 ( -5.054 -1.921 3.509) 6.446 3.855 ( 2.959 1.423 1.093) 3.460 3.875 ( 1.531 0.102 -0.357) 1.575 3.893 ( -2.456 1.498 -2.827) 4.033 3.980 ( -6.753 -1.018 -2.627) 7.317 4.012 ( -1.167 1.223 -1.459) 2.233 4.068 ( -2.726 0.572 -2.823) 3.966 4.137 ( -0.668 2.497 -0.435) 2.621 4.202 ( -2.883 1.779 -0.403) 3.412 4.218 ( -1.595 -0.762 3.119) 3.585 4.258 ( -4.514 2.715 -2.010) 5.638 4.305 ( 3.995 -0.552 9.171) 10.018 4.325 ( 1.003 -0.891 1.997) 2.406 4.414 ( 2.584 -0.906 2.973) 4.042 4.429 ( 5.869 -0.031 2.047) 6.215 4.550 ( 4.164 -0.318 0.099) 4.177 4.586 ( 3.769 -2.969 -3.788) 6.113 4.665 ( 1.654 2.513 2.339) 3.810 4.704 ( 2.802 -1.109 -1.327) 3.292 4.732 ( 12.360 4.320 -6.485) 14.611 4.866 ( 11.130 -8.653 -2.436) 14.307 5.020 ( 3.459 -1.352 -5.041) 6.261 5.026 ( 1.627 -2.360 0.830) 2.985 5.219 ( -0.941 1.933 -3.553) 4.153 5.272 ( -0.064 -2.971 -5.058) 5.867 5.320 ( 1.997 2.948 -7.344) 8.161 5.371 ( 0.825 -1.289 -9.836) 9.954 5.531 ( -0.557 5.891 -1.141) 6.027 5.578 ( -1.081 0.482 -4.996) 5.135 5.689 ( 1.640 2.483 -6.318) 6.984 5.739 ( 5.297 -3.608 1.876) 6.678 5.845 ( 10.815 2.207 -11.787) 16.149 5.878 ( 11.312 -0.133 -6.854) 13.227 5.977 ( 12.980 1.377 0.016) 13.053 6.016 ( 13.172 -1.023 -1.725) 13.324 6.249 ( -5.416 1.431 -1.894) 5.914 6.267 ( -2.303 -1.018 0.810) 2.645 6.349 ( 3.304 1.521 2.051) 4.176 6.389 ( 1.833 -1.828 -0.915) 2.746 6.489 ( -3.839 -0.138 5.075) 6.366 6.518 ( -6.485 -2.702 0.386) 7.036 6.621 ( -0.163 2.913 1.276) 3.184 6.688 ( 0.196 -2.606 -2.527) 3.635 6.745 ( -6.611 3.930 4.929) 9.135 6.827 ( -3.651 -3.392 2.867) 5.750 6.940 ( -3.653 0.832 5.523) 6.674 6.960 ( -3.483 -0.685 5.343) 6.415 7.072 ( -0.651 1.171 0.939) 1.636 7.102 ( -0.430 -1.549 2.433) 2.916 7.220 ( -0.686 0.231 -1.716) 1.863 7.226 ( -1.086 -0.229 -2.571) 2.800 7.306 ( -0.041 1.142 2.577) 2.819 7.322 ( 1.584 -0.407 6.624) 6.823 7.405 ( -0.107 1.135 1.909) 2.224 7.436 ( -1.565 -1.811 0.347) 2.418 7.509 ( 0.133 0.585 -1.686) 1.790 7.518 ( 0.380 -0.164 -2.314) 2.351 7.543 ( 0.217 -0.296 -2.563) 2.589 7.546 ( 0.533 -0.471 -3.247) 3.324 7.947 ( -1.527 2.804 2.108) 3.826 8.004 ( -1.475 -2.378 2.034) 3.459 8.062 ( -0.129 2.464 -1.587) 2.934 8.113 ( -0.601 -2.206 -2.497) 3.385 8.946 ( -0.340 0.407 -1.205) 1.316 8.956 ( -0.386 -0.513 -0.958) 1.154 8.969 ( 1.396 0.496 -0.921) 1.745 8.979 ( 1.121 -0.381 -1.084) 1.605 9.411 ( -1.576 0.110 0.303) 1.608 9.420 ( -0.736 -0.827 1.299) 1.707 9.448 ( -0.796 0.825 2.086) 2.380 9.455 ( -0.925 0.191 1.344) 1.642 9.757 ( -4.676 0.563 0.514) 4.738 9.770 ( -4.824 -0.625 0.476) 4.888 9.870 ( -0.025 1.269 1.631) 2.067 9.897 ( 0.766 -1.210 1.117) 1.816 9.996 ( -1.854 0.303 1.989) 2.736 10.003 ( -1.174 -0.384 1.651) 2.062 10.190 ( 3.972 0.612 -2.736) 4.862 10.201 ( 4.154 -0.396 -3.134) 5.219 10.414 ( -0.743 0.326 2.081) 2.233 10.422 ( -0.741 -0.494 1.765) 1.977 10.490 ( 0.781 0.842 -2.724) 2.957 10.506 ( 1.345 -0.693 -3.447) 3.764 10.930 ( -0.051 1.308 -0.768) 1.518 10.957 ( 0.586 -1.252 -1.703) 2.193 11.421 ( -2.745 1.817 -0.013) 3.292 11.465 ( -2.268 -2.235 -2.472) 4.031 ======================= Grid point 85 (53/68) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 1.429 1.814 11.226) 11.461 2.203 ( 1.927 -2.294 15.223) 15.515 2.310 ( -3.601 4.809 8.120) 10.101 2.408 ( -1.351 -0.358 -2.977) 3.288 2.431 ( -2.030 6.364 5.498) 8.652 2.487 ( -3.807 -5.787 13.230) 14.933 2.516 ( -0.891 -4.524 -5.901) 7.489 2.621 ( -4.449 -9.405 0.191) 10.406 2.781 ( -7.883 1.837 2.439) 8.454 2.804 ( -4.679 -0.320 2.697) 5.410 2.880 ( -5.491 4.278 -4.493) 8.285 2.950 ( -5.181 2.751 1.319) 6.013 3.027 ( 1.132 0.570 0.525) 1.372 3.073 ( 1.033 -0.676 3.275) 3.500 3.211 ( -1.859 4.518 -5.729) 7.529 3.228 ( 3.072 1.849 3.569) 5.059 3.377 ( -5.292 2.005 0.166) 5.662 3.439 ( -7.075 -0.657 -4.021) 8.164 3.518 ( -6.743 0.911 2.914) 7.402 3.609 ( -1.908 0.470 -1.682) 2.586 3.623 ( 2.891 -2.697 -3.984) 5.613 3.658 ( -0.939 -10.126 0.218) 10.172 3.712 ( -5.901 4.888 -6.807) 10.249 3.811 ( -7.730 -4.565 -7.123) 11.460 3.868 ( -6.237 7.477 0.439) 9.747 3.960 ( -2.048 -0.368 0.322) 2.106 3.985 ( 1.190 0.560 0.651) 1.467 4.036 ( 0.058 -1.830 -0.166) 1.838 4.106 ( 0.067 1.828 -3.787) 4.206 4.130 ( -0.790 1.549 -3.330) 3.757 4.176 ( 1.122 -1.757 1.235) 2.424 4.186 ( 0.851 -1.483 -1.108) 2.037 4.327 ( -1.012 -1.995 -2.433) 3.306 4.384 ( 0.890 -6.409 -2.544) 6.953 4.505 ( 0.623 1.806 -4.095) 4.518 4.526 ( 1.945 0.098 0.103) 1.951 4.605 ( 2.277 2.368 1.247) 3.514 4.651 ( 3.919 -0.228 3.929) 5.554 4.677 ( -0.895 0.884 0.609) 1.398 4.707 ( -1.945 -2.301 -0.232) 3.021 4.893 ( 7.084 4.613 -0.689) 8.482 4.926 ( 3.455 -0.158 -8.394) 9.079 5.078 ( 1.376 -2.852 -1.702) 3.595 5.130 ( 3.918 -3.357 5.356) 7.437 5.207 ( -0.070 5.542 -2.856) 6.236 5.239 ( 4.155 1.180 -7.508) 8.662 5.288 ( 4.177 -1.347 -9.134) 10.134 5.331 ( 0.405 -1.629 -6.672) 6.880 5.479 ( 0.905 0.383 -4.139) 4.254 5.508 ( -4.335 -3.863 -4.003) 7.053 5.615 ( -2.895 8.552 -7.657) 11.838 5.693 ( -6.215 0.617 -3.030) 6.942 5.991 ( 8.305 -0.065 -9.937) 12.951 6.034 ( 12.008 -2.413 -4.443) 13.029 6.111 ( -2.113 0.899 0.692) 2.398 6.168 ( -1.204 -3.676 0.682) 3.928 6.214 ( 6.412 3.073 -3.463) 7.908 6.307 ( 5.677 -3.807 -1.745) 7.055 6.399 ( -0.508 2.982 0.697) 3.104 6.437 ( -1.800 2.387 6.292) 6.966 6.489 ( 7.686 -1.294 2.709) 8.251 6.519 ( 0.211 -2.460 8.132) 8.499 6.566 ( 0.259 2.857 -0.321) 2.887 6.628 ( -3.265 -4.155 1.275) 5.436 6.772 ( 2.851 3.762 3.123) 5.660 6.808 ( 0.754 0.537 0.781) 1.211 6.904 ( -5.414 1.010 8.923) 10.486 6.930 ( -3.894 -1.829 5.981) 7.367 7.097 ( 0.252 -0.478 0.428) 0.689 7.111 ( 0.106 -1.407 1.013) 1.737 7.185 ( 0.287 0.975 -2.311) 2.525 7.222 ( 0.836 -2.724 -0.429) 2.882 7.356 ( 2.147 3.179 5.309) 6.550 7.404 ( 1.644 -1.511 6.555) 6.925 7.442 ( 1.300 0.867 3.739) 4.052 7.463 ( 1.669 -0.619 4.500) 4.839 7.508 ( -0.361 -0.000 -0.512) 0.627 7.514 ( 1.028 -0.543 0.756) 1.386 7.552 ( 2.396 0.878 0.094) 2.554 7.565 ( 2.064 -0.146 2.363) 3.141 7.942 ( -0.681 2.335 2.088) 3.206 7.994 ( -1.221 -2.473 2.267) 3.571 8.050 ( -0.014 1.982 -1.659) 2.585 8.090 ( -0.012 -1.729 -1.783) 2.484 8.939 ( 0.474 0.537 -0.931) 1.175 8.951 ( 0.471 -0.621 -0.486) 0.918 8.984 ( 0.825 0.369 -0.836) 1.231 8.990 ( 0.743 -0.205 -0.532) 0.936 9.394 ( -0.080 0.764 0.407) 0.869 9.414 ( -0.074 -1.165 0.897) 1.472 9.452 ( -1.145 0.943 2.941) 3.294 9.465 ( -0.768 -0.321 3.767) 3.858 9.676 ( -4.417 0.420 -0.235) 4.443 9.686 ( -4.571 -0.452 -0.246) 4.599 9.821 ( -4.928 0.791 -0.201) 4.995 9.837 ( -5.639 -0.766 -0.784) 5.744 10.029 ( 2.070 0.259 2.533) 3.282 10.036 ( 1.861 -0.384 2.792) 3.377 10.224 ( 2.299 0.580 -3.447) 4.184 10.233 ( 2.270 -0.286 -3.811) 4.445 10.407 ( -1.008 0.324 1.003) 1.459 10.420 ( -0.476 -0.982 1.056) 1.518 10.496 ( 2.181 1.507 -2.640) 3.741 10.521 ( 2.925 -1.020 -2.551) 4.013 10.897 ( -1.732 1.420 -3.670) 4.300 10.928 ( -1.297 -1.474 -4.600) 5.001 11.326 ( -6.215 1.569 -3.308) 7.213 11.361 ( -5.985 -1.692 -4.927) 7.935 ======================= Grid point 86 (54/68) ======================= q-point: (-0.62 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -6.689 3.962 -0.989) 7.837 2.284 ( -0.651 -3.379 -1.662) 3.822 2.316 ( -1.322 -2.247 2.024) 3.300 2.331 ( -1.716 -2.961 -8.520) 9.182 2.435 ( -0.259 2.507 0.579) 2.586 2.526 ( 2.517 1.937 5.552) 6.396 2.554 ( 2.438 -2.925 10.972) 11.614 2.582 ( -1.365 -6.695 -0.293) 6.839 2.702 ( -1.205 8.375 -3.588) 9.191 2.719 ( -1.538 1.304 -1.489) 2.507 2.757 ( 0.110 -1.036 -1.213) 1.599 2.882 ( -2.339 -6.908 -3.211) 7.969 3.073 ( -1.102 10.036 1.948) 10.282 3.128 ( -1.127 7.448 -0.417) 7.545 3.152 ( 0.097 1.195 0.386) 1.259 3.247 ( -1.471 -1.541 -1.937) 2.879 3.314 ( -3.753 -1.785 -0.519) 4.188 3.381 ( 3.506 -1.455 3.558) 5.203 3.443 ( -2.030 0.367 -1.702) 2.675 3.517 ( -3.992 -2.570 -4.521) 6.557 3.564 ( -2.159 1.437 -3.621) 4.454 3.638 ( -3.688 -3.614 -1.683) 5.431 3.674 ( 0.377 4.586 -0.804) 4.671 3.720 ( 2.975 0.887 -1.738) 3.558 3.821 ( 2.398 -2.200 3.192) 4.559 3.875 ( -3.065 0.884 -2.519) 4.065 3.919 ( -6.227 1.507 -3.720) 7.408 3.975 ( -1.707 -0.825 -1.063) 2.174 4.111 ( -0.367 0.818 -4.209) 4.303 4.154 ( 2.220 -3.461 -3.570) 5.445 4.209 ( 2.896 -1.857 -1.344) 3.694 4.298 ( 0.289 -2.242 -1.598) 2.768 4.334 ( 3.672 -7.361 3.785) 9.055 4.343 ( 1.554 -3.383 4.944) 6.189 4.480 ( 1.430 2.329 -0.468) 2.773 4.535 ( -1.223 -2.773 -0.023) 3.031 4.601 ( -7.196 0.878 0.544) 7.270 4.623 ( -0.376 1.941 -2.493) 3.182 4.648 ( -5.531 -1.152 -3.303) 6.544 4.653 ( -0.462 0.591 0.054) 0.751 4.846 ( -0.902 6.947 -11.359) 13.346 4.982 ( 0.397 -6.125 -3.925) 7.285 5.024 ( -4.652 4.648 -4.213) 7.810 5.150 ( -7.530 -3.497 -0.890) 8.350 5.192 ( -5.751 2.304 10.838) 12.484 5.229 ( -4.162 0.233 0.684) 4.225 5.304 ( 5.187 2.460 -10.750) 12.187 5.340 ( 7.291 -2.150 -10.406) 12.887 5.390 ( -3.244 7.104 -6.028) 9.866 5.491 ( 1.057 3.130 0.908) 3.426 5.531 ( -1.186 2.186 -5.104) 5.677 5.602 ( -0.589 -5.602 -0.604) 5.665 6.011 ( -5.960 4.188 5.272) 8.992 6.079 ( 3.746 3.824 -5.585) 7.737 6.108 ( 0.294 -2.039 2.509) 3.246 6.205 ( 1.111 2.764 -3.784) 4.816 6.267 ( 4.936 -8.756 3.243) 10.562 6.298 ( -0.308 -3.787 -3.291) 5.027 6.386 ( -0.130 -1.068 1.750) 2.054 6.420 ( -6.713 -2.372 2.650) 7.597 6.556 ( 0.212 1.815 6.149) 6.415 6.583 ( -2.082 -1.089 7.934) 8.275 6.675 ( 6.799 4.197 -2.203) 8.289 6.740 ( 12.350 -1.788 -2.783) 12.786 6.848 ( 3.423 3.631 2.087) 5.409 6.867 ( 2.319 3.249 5.701) 6.959 6.906 ( 0.378 -1.108 6.909) 7.008 6.937 ( 1.099 -3.116 5.531) 6.443 7.073 ( -0.920 1.844 -1.819) 2.749 7.129 ( 1.084 -1.706 -1.431) 2.477 7.189 ( 1.699 -0.711 -1.966) 2.694 7.226 ( 0.099 -3.687 -1.863) 4.132 7.398 ( -0.569 2.586 1.998) 3.317 7.438 ( -0.947 -1.634 1.880) 2.665 7.471 ( -0.434 0.540 -1.126) 1.322 7.482 ( -0.699 -0.655 -1.356) 1.660 7.533 ( 2.023 3.723 7.890) 8.955 7.601 ( 3.755 -2.502 7.987) 9.173 7.632 ( 4.741 1.774 3.587) 6.204 7.662 ( 4.440 -0.598 5.425) 7.035 7.951 ( 0.003 2.182 2.075) 3.011 7.999 ( 0.059 -2.006 2.180) 2.963 8.044 ( 0.900 2.413 -1.303) 2.887 8.099 ( 2.517 -2.523 -1.386) 3.824 8.950 ( 1.351 0.613 -0.501) 1.566 8.964 ( 1.164 -0.742 -0.320) 1.417 8.989 ( 0.375 0.456 -0.445) 0.739 8.995 ( 0.039 -0.197 -0.119) 0.233 9.414 ( 1.253 0.908 1.244) 1.986 9.431 ( -0.009 -0.295 2.211) 2.231 9.450 ( -0.323 0.512 1.575) 1.688 9.467 ( -1.904 -0.893 3.195) 3.825 9.605 ( -3.268 0.240 0.176) 3.282 9.611 ( -3.521 -0.318 -0.012) 3.536 9.726 ( -5.073 0.062 -2.161) 5.514 9.728 ( -3.967 -0.110 -2.034) 4.459 10.072 ( 0.252 0.363 3.299) 3.329 10.081 ( 0.379 -0.478 3.691) 3.741 10.225 ( 0.997 0.706 -3.901) 4.088 10.239 ( 1.578 -0.551 -3.692) 4.052 10.404 ( 0.511 0.795 0.131) 0.954 10.430 ( 1.292 -1.860 0.221) 2.275 10.530 ( 3.094 2.497 -1.531) 4.261 10.569 ( 3.730 -1.486 -1.323) 4.227 10.823 ( -2.806 1.156 -5.242) 6.058 10.850 ( -2.930 -1.403 -6.403) 7.180 11.174 ( -6.894 1.413 -5.234) 8.771 11.203 ( -6.746 -1.288 -6.318) 9.332 ======================= Grid point 87 (55/68) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -12.707 9.085 4.289) 16.199 2.142 ( -12.006 13.210 -5.001) 18.538 2.240 ( -6.582 -14.734 6.511) 17.402 2.287 ( 3.179 0.592 -10.456) 10.945 2.441 ( 3.754 -3.887 -6.778) 8.668 2.501 ( -0.010 -2.433 -8.640) 8.976 2.578 ( -0.963 -1.560 -0.267) 1.853 2.689 ( 3.162 -3.954 3.744) 6.297 2.714 ( 3.746 2.204 2.280) 4.909 2.799 ( 4.990 -4.642 -0.918) 6.877 2.864 ( 9.735 2.363 1.513) 10.131 2.877 ( 5.939 2.447 -3.127) 7.144 3.080 ( 2.133 8.087 2.280) 8.669 3.115 ( 2.811 -1.742 -2.354) 4.059 3.164 ( 4.282 -6.138 0.292) 7.490 3.257 ( 1.623 -5.117 -0.551) 5.397 3.264 ( -0.221 -0.513 -3.604) 3.647 3.356 ( 1.558 -2.164 -6.823) 7.325 3.416 ( -1.351 6.724 -1.419) 7.004 3.500 ( -1.164 1.071 -0.065) 1.584 3.557 ( 1.109 2.187 -4.781) 5.373 3.583 ( 2.640 -0.077 1.569) 3.072 3.651 ( -2.876 0.502 -2.906) 4.119 3.745 ( -5.634 -3.199 -3.073) 7.170 3.820 ( 2.530 6.853 -2.542) 7.734 3.840 ( 4.308 8.541 -1.117) 9.631 3.930 ( 1.854 3.853 1.283) 4.464 3.984 ( 2.307 -5.451 -3.061) 6.663 4.083 ( -2.200 -2.828 1.100) 3.748 4.146 ( 2.323 -5.879 1.289) 6.451 4.233 ( 1.539 1.436 -2.910) 3.592 4.289 ( 1.155 -6.761 2.415) 7.272 4.349 ( -2.315 -2.399 4.545) 5.636 4.381 ( -4.494 -3.771 -0.573) 5.894 4.471 ( -6.625 1.936 1.374) 7.037 4.479 ( -5.393 2.283 -2.564) 6.393 4.567 ( 2.881 -0.768 6.794) 7.420 4.605 ( 0.866 0.283 2.816) 2.960 4.638 ( -0.758 -0.387 -0.687) 1.094 4.651 ( 5.922 -1.661 6.270) 8.783 4.734 ( -3.473 6.504 -6.023) 9.521 4.876 ( -10.384 -6.285 -0.852) 12.168 4.939 ( -4.844 -1.025 -6.821) 8.429 4.955 ( -4.670 -1.740 -5.724) 7.590 5.056 ( -14.026 0.263 7.334) 15.830 5.080 ( -13.881 -2.190 8.572) 16.461 5.263 ( 1.115 14.354 -5.467) 15.400 5.355 ( -1.655 8.611 -7.838) 11.761 5.361 ( -1.120 6.962 -3.619) 7.926 5.471 ( 2.172 -0.289 -7.160) 7.488 5.564 ( 2.366 -8.428 -0.761) 8.787 5.604 ( 2.067 -15.748 -3.567) 16.278 5.971 ( -4.493 8.295 10.722) 14.282 6.049 ( -4.680 5.417 1.974) 7.426 6.159 ( -3.054 8.431 2.176) 9.227 6.195 ( 3.000 3.346 4.592) 6.425 6.265 ( -2.013 -8.080 -1.226) 8.417 6.331 ( -0.261 -7.866 1.086) 7.945 6.391 ( 0.980 -4.006 3.272) 5.265 6.445 ( 5.097 -3.520 -2.391) 6.640 6.551 ( -3.771 0.911 4.889) 6.241 6.576 ( 0.203 -2.201 2.272) 3.170 6.750 ( 3.268 5.801 -1.673) 6.865 6.851 ( -3.649 -1.126 4.928) 6.235 6.908 ( 7.044 1.545 -3.351) 7.952 6.957 ( 1.864 -0.747 3.778) 4.279 6.997 ( 4.852 0.994 2.991) 5.786 7.029 ( 4.518 -0.168 1.634) 4.807 7.048 ( -0.346 3.496 -1.492) 3.817 7.123 ( 0.375 -0.370 -2.349) 2.407 7.201 ( 0.148 -2.451 -3.836) 4.555 7.211 ( 1.643 -4.195 -4.078) 6.077 7.402 ( 0.186 0.971 1.408) 1.721 7.430 ( -1.017 -1.298 1.685) 2.358 7.444 ( -1.696 0.103 0.023) 1.700 7.451 ( -1.405 -0.715 -0.222) 1.592 7.629 ( 3.438 6.040 3.971) 8.004 7.706 ( 3.533 0.579 1.703) 3.965 7.737 ( 3.278 -1.570 3.517) 5.058 7.761 ( 3.266 -1.467 2.961) 4.646 7.970 ( 0.637 1.725 1.525) 2.389 8.019 ( -0.153 -2.367 2.694) 3.589 8.072 ( 3.565 4.508 -2.115) 6.124 8.157 ( 4.878 -3.436 -1.969) 6.283 8.969 ( -0.465 0.172 -0.562) 0.749 8.971 ( 0.698 -0.022 -0.241) 0.739 8.996 ( 0.693 0.563 -0.216) 0.919 9.009 ( 2.191 -0.661 -0.327) 2.312 9.416 ( -1.753 0.854 2.290) 3.008 9.437 ( -2.382 -1.075 2.611) 3.694 9.459 ( 1.592 1.239 0.137) 2.022 9.477 ( 1.438 -0.478 0.785) 1.707 9.568 ( -1.629 0.139 1.472) 2.200 9.575 ( -0.980 -0.547 1.990) 2.285 9.650 ( -1.233 1.102 -2.266) 2.805 9.675 ( -0.026 -1.190 -2.494) 2.763 10.085 ( -1.318 0.672 3.569) 3.863 10.100 ( -1.082 -0.737 3.941) 4.153 10.219 ( 1.394 1.042 -3.206) 3.648 10.243 ( 1.733 -1.211 -3.222) 3.854 10.422 ( 1.085 1.583 -0.751) 2.061 10.461 ( 1.898 -2.375 -1.258) 3.290 10.572 ( 2.028 2.989 -0.857) 3.712 10.620 ( 2.433 -1.833 -1.329) 3.323 10.741 ( -2.270 0.165 -3.685) 4.331 10.748 ( -3.338 -0.530 -4.807) 5.876 11.031 ( -4.740 1.318 -4.084) 6.394 11.057 ( -4.353 -1.127 -4.968) 6.701 ======================= Grid point 88 (56/68) ======================= q-point: (-0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -13.152 13.968 8.767) 21.094 1.935 ( -10.728 18.632 11.993) 24.618 2.139 ( -9.024 -19.314 4.156) 21.719 2.320 ( -0.164 -11.289 5.353) 12.495 2.415 ( 4.639 1.982 -7.454) 9.000 2.530 ( 4.394 -3.960 -2.442) 6.399 2.566 ( 3.105 -0.268 -3.569) 4.738 2.714 ( 1.084 -4.405 -2.422) 5.143 2.840 ( 6.421 1.356 3.643) 7.506 2.866 ( 4.858 1.545 -2.830) 5.830 2.963 ( 5.637 0.466 -1.624) 5.885 3.017 ( 4.653 -5.286 -5.230) 8.772 3.107 ( -0.492 7.689 -0.932) 7.761 3.208 ( 8.767 4.512 -1.125) 9.924 3.243 ( 6.278 0.089 2.198) 6.653 3.312 ( 4.337 1.481 -7.636) 8.906 3.326 ( -1.455 0.197 -0.760) 1.653 3.368 ( 6.824 -2.449 -8.689) 11.317 3.428 ( 7.321 -3.128 6.042) 9.994 3.498 ( 3.843 -4.370 -4.352) 7.266 3.581 ( -1.000 4.387 -1.955) 4.906 3.647 ( 5.754 1.954 1.707) 6.312 3.654 ( 4.864 -2.505 -3.582) 6.539 3.669 ( 3.619 -2.068 -0.006) 4.169 3.776 ( 0.071 1.468 -6.039) 6.215 3.823 ( -0.722 -1.983 -9.579) 9.809 3.935 ( -2.358 0.181 -1.032) 2.581 4.001 ( -1.662 -3.030 2.375) 4.193 4.103 ( -0.254 7.954 6.094) 10.023 4.154 ( -4.074 5.685 0.236) 6.998 4.245 ( 1.663 0.498 1.257) 2.144 4.257 ( -1.372 3.335 -4.103) 5.463 4.299 ( -3.889 -3.927 1.206) 5.657 4.346 ( -3.867 -1.979 -0.594) 4.384 4.403 ( 0.169 2.733 2.183) 3.502 4.520 ( -0.907 -3.024 8.258) 8.841 4.549 ( -3.193 -5.679 5.688) 8.648 4.579 ( -3.699 -4.904 -0.045) 6.143 4.653 ( -3.761 0.434 1.959) 4.263 4.703 ( -5.898 -2.829 1.113) 6.636 4.727 ( 3.659 2.087 4.477) 6.148 4.756 ( -1.582 0.267 -3.457) 3.811 4.847 ( -2.631 -1.140 6.377) 6.992 4.848 ( -1.142 -1.720 -0.650) 2.164 4.879 ( -7.083 -0.004 2.343) 7.461 4.930 ( -6.791 -4.551 0.294) 8.181 5.257 ( -2.540 15.533 -3.410) 16.105 5.264 ( -4.775 11.681 2.103) 12.794 5.316 ( 2.972 13.990 2.393) 14.501 5.462 ( -2.175 -4.920 1.877) 5.698 5.558 ( 0.616 -16.367 -1.810) 16.478 5.642 ( 4.295 -17.556 -2.196) 18.207 5.875 ( -15.790 8.930 10.915) 21.171 5.978 ( -4.019 6.882 2.104) 8.243 6.139 ( -5.505 1.667 4.209) 7.128 6.232 ( -4.562 -1.404 3.940) 6.190 6.249 ( 0.201 -3.660 -2.896) 4.672 6.281 ( 0.586 3.670 0.526) 3.753 6.424 ( -0.408 -4.823 -3.075) 5.734 6.486 ( 1.860 -5.615 0.202) 5.918 6.578 ( 5.745 2.944 -1.548) 6.638 6.639 ( 5.054 -3.468 -1.647) 6.347 6.763 ( -0.925 2.698 -1.382) 3.169 6.785 ( -5.317 2.563 3.428) 6.826 6.956 ( 0.467 0.940 -3.359) 3.519 6.990 ( -0.818 -0.639 0.149) 1.049 7.028 ( 2.505 2.745 -1.310) 3.941 7.086 ( 0.517 -1.097 1.716) 2.101 7.104 ( 4.195 2.075 -0.819) 4.752 7.129 ( 1.831 0.385 -1.209) 2.228 7.180 ( -0.041 -2.209 -1.152) 2.492 7.189 ( -0.386 -3.098 -3.881) 4.981 7.381 ( -3.812 0.765 2.873) 4.834 7.410 ( -2.692 -1.293 1.615) 3.395 7.438 ( 1.399 0.643 -0.318) 1.572 7.465 ( 1.709 -2.275 -0.081) 2.847 7.693 ( 2.441 7.021 -2.165) 7.742 7.746 ( 1.214 2.181 -1.372) 2.848 7.786 ( 1.176 -2.074 -0.545) 2.445 7.813 ( 1.491 -2.974 -1.071) 3.495 7.994 ( 1.719 -0.025 -0.928) 1.954 8.025 ( -0.663 -2.255 1.250) 2.663 8.124 ( 4.075 5.546 -4.077) 8.000 8.218 ( 3.817 -3.527 -4.577) 6.925 8.950 ( -0.837 0.714 -0.749) 1.330 8.967 ( -0.486 -0.921 -0.431) 1.128 9.014 ( 1.370 1.509 -1.286) 2.410 9.043 ( 1.882 -1.237 -1.650) 2.792 9.408 ( -0.818 0.376 1.491) 1.741 9.420 ( -1.214 -0.714 2.249) 2.654 9.494 ( 2.079 1.493 0.586) 2.626 9.517 ( 2.481 -0.771 1.377) 2.941 9.585 ( 2.111 0.843 3.517) 4.187 9.606 ( 2.459 -1.107 2.660) 3.788 9.646 ( 1.896 1.324 -0.692) 2.414 9.674 ( 1.239 -1.383 -2.614) 3.207 10.085 ( -1.275 1.014 3.413) 3.782 10.108 ( -0.765 -1.140 3.336) 3.607 10.225 ( 1.060 1.085 -3.010) 3.371 10.249 ( 1.032 -1.306 -3.496) 3.872 10.405 ( -1.778 1.819 -2.762) 3.755 10.442 ( -1.878 -1.743 -4.784) 5.427 10.573 ( -1.293 1.733 -0.216) 2.173 10.607 ( -1.748 -1.583 -3.127) 3.916 10.713 ( 1.397 0.251 0.686) 1.576 10.719 ( 0.953 -0.255 0.235) 1.014 10.987 ( 1.386 1.413 2.355) 3.076 11.015 ( 1.894 -1.234 0.959) 2.455 ======================= Grid point 89 (57/68) ======================= q-point: (-0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -10.240 10.015 17.926) 22.946 1.957 ( -3.986 9.098 20.478) 22.760 1.994 ( -9.371 -9.039 12.472) 18.029 2.362 ( -2.295 -15.565 15.256) 21.916 2.520 ( 7.613 3.377 -4.511) 9.472 2.581 ( 3.172 5.929 1.216) 6.833 2.635 ( 5.618 -5.363 -3.845) 8.666 2.717 ( 1.282 -1.356 -1.061) 2.146 2.867 ( -3.003 12.518 -3.016) 13.222 2.986 ( 7.292 -3.185 1.324) 8.067 3.023 ( 2.586 -4.786 -2.359) 5.930 3.062 ( 5.924 -0.385 0.200) 5.940 3.094 ( -3.384 4.261 4.226) 6.889 3.272 ( -2.112 -0.153 1.634) 2.675 3.324 ( 4.614 -0.445 -2.055) 5.070 3.346 ( 3.294 2.720 0.097) 4.273 3.389 ( 4.343 -0.368 -0.635) 4.405 3.401 ( 1.875 3.590 -5.544) 6.866 3.508 ( 0.065 -4.630 -2.169) 5.113 3.544 ( -4.288 -6.530 6.345) 10.064 3.591 ( 3.293 -1.699 3.168) 4.875 3.599 ( -1.027 -3.601 1.386) 3.993 3.738 ( 10.177 3.626 -9.945) 14.684 3.791 ( 6.543 0.153 -6.341) 9.113 3.889 ( 8.619 2.782 -1.886) 9.251 3.914 ( 13.447 2.050 -9.937) 16.845 3.943 ( 7.668 -2.882 -4.981) 9.587 3.975 ( -0.512 0.927 4.601) 4.722 4.039 ( -0.216 0.887 -1.940) 2.144 4.107 ( -1.985 -3.609 -1.103) 4.264 4.192 ( 1.714 3.802 -5.261) 6.713 4.220 ( -1.982 0.201 0.751) 2.129 4.313 ( -4.115 -2.008 5.189) 6.920 4.355 ( 0.478 -2.606 0.829) 2.776 4.422 ( -2.423 4.897 6.529) 8.513 4.438 ( -4.347 0.078 6.307) 7.660 4.485 ( -5.909 -2.117 0.529) 6.299 4.541 ( -5.280 -0.039 -5.138) 7.368 4.557 ( -3.853 -1.935 1.634) 4.611 4.577 ( -2.755 -5.462 -5.803) 8.432 4.713 ( -4.348 2.080 -0.384) 4.835 4.713 ( -4.677 0.808 -0.581) 4.782 4.842 ( -1.309 -1.185 3.208) 3.662 4.887 ( 4.699 -4.420 6.100) 8.878 4.962 ( 4.515 2.622 6.180) 8.091 5.004 ( 10.423 -2.141 11.955) 16.005 5.176 ( -5.058 12.843 10.940) 17.612 5.283 ( 2.887 11.179 -0.545) 11.558 5.371 ( -2.129 0.552 6.835) 7.180 5.464 ( -0.046 6.282 3.539) 7.211 5.596 ( 2.425 -13.033 -0.166) 13.258 5.636 ( -11.447 1.486 2.620) 11.837 5.701 ( 0.755 -4.243 -0.829) 4.389 5.907 ( -6.705 -5.309 2.924) 9.039 6.001 ( -9.258 -1.599 4.076) 10.242 6.167 ( -3.750 -1.029 -1.729) 4.255 6.233 ( -0.144 -2.025 -1.433) 2.485 6.295 ( -0.145 9.291 -0.614) 9.312 6.374 ( -0.317 -3.648 -5.329) 6.466 6.484 ( -1.992 -5.543 -1.488) 6.075 6.661 ( 0.152 3.654 -3.437) 5.019 6.677 ( 3.066 1.709 -3.907) 5.252 6.729 ( 0.577 -0.521 -2.970) 3.070 6.751 ( 0.115 -1.570 -0.833) 1.781 6.903 ( -3.502 3.299 0.324) 4.822 6.954 ( -2.581 -1.322 -0.155) 2.904 7.073 ( 2.347 0.578 -1.022) 2.624 7.089 ( -0.770 -0.488 -1.216) 1.520 7.111 ( -2.184 1.064 -1.482) 2.846 7.124 ( -1.341 0.836 1.443) 2.140 7.190 ( 3.356 -0.554 -3.104) 4.605 7.216 ( 3.684 -2.592 -0.435) 4.526 7.333 ( -3.971 0.836 3.689) 5.485 7.366 ( -4.021 -1.865 2.484) 5.081 7.459 ( 1.086 1.344 -0.894) 1.946 7.481 ( 0.758 -0.998 -1.056) 1.639 7.672 ( -1.205 6.747 -6.227) 9.260 7.736 ( -0.848 2.116 -3.103) 3.851 7.767 ( -1.505 -2.609 -4.255) 5.213 7.798 ( -0.645 -3.309 -4.897) 5.945 8.008 ( 0.723 -0.505 -2.178) 2.350 8.021 ( 0.393 -1.326 -1.041) 1.731 8.145 ( 1.988 4.053 -5.755) 7.315 8.219 ( 0.988 -2.895 -6.819) 7.473 8.935 ( -0.122 1.016 -0.877) 1.348 8.957 ( -0.003 -1.110 -0.831) 1.386 9.017 ( 0.350 1.522 -2.232) 2.724 9.045 ( 0.265 -1.204 -2.808) 3.067 9.401 ( -0.652 0.510 0.371) 0.908 9.412 ( -1.099 -0.471 0.937) 1.519 9.539 ( 2.022 2.090 -0.042) 2.909 9.584 ( 3.230 -2.127 1.091) 4.018 9.634 ( 0.618 0.159 0.483) 0.800 9.646 ( 0.985 -0.790 -0.266) 1.291 9.717 ( 5.569 2.187 4.084) 7.244 9.755 ( 7.484 -1.552 3.409) 8.369 10.088 ( -1.112 1.333 2.939) 3.414 10.117 ( -0.502 -1.495 1.925) 2.489 10.181 ( -3.548 0.494 -5.280) 6.380 10.190 ( -3.728 -0.360 -5.021) 6.264 10.357 ( -1.223 1.908 -0.027) 2.267 10.401 ( 0.405 -2.305 -0.313) 2.361 10.532 ( -2.115 1.092 -1.103) 2.624 10.552 ( -1.582 -0.780 -2.537) 3.089 10.767 ( 2.980 0.429 2.581) 3.966 10.776 ( 3.925 -0.439 2.025) 4.438 11.105 ( 6.756 1.250 7.673) 10.299 11.130 ( 7.508 -1.082 5.960) 9.647 ======================= Grid point 90 (58/68) ======================= q-point: (-0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -3.377 2.013 26.732) 27.019 1.886 ( -7.962 -16.314 15.410) 23.812 2.136 ( -2.756 15.600 26.889) 31.208 2.403 ( -7.923 -11.417 17.782) 22.569 2.576 ( 2.584 5.135 -3.378) 6.667 2.619 ( -1.118 2.036 -1.095) 2.568 2.689 ( 4.473 7.191 1.018) 8.530 2.754 ( -0.349 9.487 -1.006) 9.547 2.820 ( 4.033 -0.272 -2.631) 4.823 2.990 ( -4.828 -4.226 2.389) 6.847 3.061 ( -5.105 -3.229 7.461) 9.600 3.085 ( -0.756 -5.379 -0.870) 5.501 3.176 ( -4.413 2.341 6.197) 7.959 3.215 ( 4.087 1.014 2.648) 4.974 3.284 ( -7.651 6.181 3.331) 10.385 3.358 ( 4.205 3.028 -5.334) 7.437 3.456 ( 5.064 -1.864 -7.939) 9.599 3.468 ( 1.700 -4.893 3.131) 6.053 3.515 ( 3.397 -1.901 1.921) 4.341 3.549 ( 4.084 -3.618 6.649) 8.601 3.678 ( 5.190 -1.078 6.450) 8.349 3.706 ( 3.273 -2.064 3.336) 5.109 3.804 ( -6.193 2.218 1.718) 6.799 3.838 ( 5.095 2.441 -1.997) 5.992 3.880 ( 5.964 -0.265 -3.079) 6.718 3.927 ( 1.951 -6.846 -9.736) 12.060 4.041 ( 1.116 0.211 -1.059) 1.553 4.071 ( 2.481 -2.758 -1.819) 4.132 4.143 ( -6.714 2.559 2.173) 7.506 4.166 ( 7.096 2.147 -7.357) 10.445 4.227 ( 14.158 -0.946 -3.504) 14.615 4.240 ( -0.538 -3.570 -0.013) 3.610 4.294 ( 6.702 0.101 -3.592) 7.604 4.308 ( 2.051 -1.763 -2.190) 3.479 4.366 ( -1.721 0.877 -1.952) 2.746 4.372 ( -2.906 -0.124 -1.467) 3.258 4.445 ( 3.583 1.549 -2.403) 4.584 4.507 ( -0.764 -0.061 2.204) 2.333 4.548 ( -2.473 1.041 3.399) 4.330 4.576 ( -3.748 -0.962 4.291) 5.778 4.603 ( -5.942 -0.007 -0.148) 5.944 4.614 ( -0.982 -2.747 1.372) 3.223 4.970 ( 11.874 -2.587 3.400) 12.619 5.021 ( 8.692 -4.942 3.088) 10.465 5.108 ( 4.009 19.473 13.014) 23.762 5.200 ( 0.236 0.674 7.076) 7.112 5.217 ( -6.756 -1.346 6.749) 9.644 5.320 ( 1.410 0.651 4.115) 4.398 5.371 ( 0.645 3.594 1.448) 3.928 5.443 ( 3.582 10.462 1.274) 11.132 5.518 ( 2.166 1.704 -5.333) 6.003 5.671 ( 2.186 -6.738 0.054) 7.084 5.695 ( 2.053 1.057 -6.942) 7.316 5.820 ( -3.541 -12.219 1.795) 12.848 5.897 ( -5.230 0.076 1.344) 5.401 6.036 ( -8.048 -9.692 -4.298) 13.311 6.265 ( 2.081 5.448 2.240) 6.248 6.302 ( 2.804 2.835 -0.042) 3.987 6.363 ( 1.457 0.091 -2.719) 3.085 6.418 ( -2.947 -3.772 -2.643) 5.468 6.597 ( -1.851 3.779 -3.718) 5.615 6.652 ( -4.510 4.424 -3.073) 7.025 6.676 ( -1.668 -3.030 -4.085) 5.352 6.730 ( -2.590 -2.257 -2.978) 4.547 6.895 ( 1.759 1.009 -0.978) 2.251 6.917 ( -1.994 -0.811 1.023) 2.384 7.023 ( -4.824 0.565 0.570) 4.890 7.043 ( -3.903 -1.085 -0.095) 4.052 7.109 ( 0.448 1.615 0.368) 1.716 7.130 ( 0.507 -0.215 1.714) 1.801 7.225 ( 2.126 1.907 -1.847) 3.401 7.271 ( 3.267 -2.606 -2.877) 5.073 7.292 ( -3.676 -0.128 3.401) 5.010 7.305 ( -4.687 -0.775 3.458) 5.876 7.455 ( -0.444 2.159 -1.140) 2.481 7.490 ( 1.391 -0.807 -2.353) 2.850 7.585 ( -2.413 5.219 -7.462) 9.420 7.666 ( -3.417 0.684 -5.833) 6.794 7.683 ( -3.238 -2.997 -6.292) 7.684 7.723 ( -3.034 -2.847 -7.069) 8.203 7.993 ( -0.985 1.250 -0.807) 1.785 8.021 ( 0.201 -0.820 -0.996) 1.306 8.118 ( -0.455 2.432 -4.501) 5.137 8.176 ( -0.200 -2.582 -5.710) 6.269 8.935 ( 0.772 1.106 -0.917) 1.631 8.956 ( 0.668 -1.007 -1.056) 1.605 8.998 ( -0.645 1.048 -2.194) 2.516 9.018 ( -0.926 -0.904 -2.802) 3.087 9.396 ( -0.017 0.469 0.222) 0.519 9.404 ( -0.341 -0.288 1.074) 1.163 9.534 ( -1.574 1.350 -1.609) 2.625 9.562 ( -3.062 -1.279 -2.382) 4.085 9.705 ( 4.857 0.002 2.923) 5.669 9.711 ( 4.253 -0.456 2.974) 5.210 9.842 ( 3.187 1.757 3.916) 5.346 9.874 ( 1.861 -1.316 1.458) 2.706 10.074 ( -2.945 1.136 1.761) 3.614 10.090 ( -0.173 0.865 -2.359) 2.518 10.100 ( -2.674 -1.190 -0.638) 2.995 10.110 ( -0.740 -0.866 -1.636) 1.993 10.365 ( 0.833 2.063 2.301) 3.201 10.416 ( 0.299 -2.876 0.879) 3.022 10.503 ( 0.001 1.367 -1.570) 2.082 10.523 ( -0.001 -0.645 -2.341) 2.428 10.845 ( 3.101 0.797 3.243) 4.557 10.863 ( 3.934 -0.905 1.942) 4.479 11.288 ( 6.744 1.648 7.086) 9.920 11.324 ( 8.569 -1.794 4.995) 10.080 ======================= Grid point 99 (59/68) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -3.356 0.000 -0.125) 3.358 2.369 ( 3.356 0.000 0.125) 3.358 2.424 ( 0.307 0.000 -1.487) 1.518 2.424 ( -0.307 0.000 1.487) 1.518 2.476 ( -3.719 0.000 1.023) 3.857 2.476 ( 3.719 0.000 -1.023) 3.857 2.612 ( -6.211 0.000 -7.822) 9.988 2.612 ( 6.211 0.000 7.822) 9.988 2.932 ( 2.125 0.000 -2.564) 3.330 2.932 ( -2.125 0.000 2.564) 3.330 3.044 ( 11.176 0.000 -9.890) 14.923 3.044 ( -11.176 0.000 9.890) 14.923 3.193 ( 0.076 0.000 -2.030) 2.031 3.193 ( -0.076 0.000 2.030) 2.031 3.309 ( 6.029 0.000 -4.629) 7.601 3.309 ( -6.029 0.000 4.629) 7.601 3.405 ( -4.721 0.000 -6.100) 7.713 3.405 ( 4.721 0.000 6.100) 7.713 3.702 ( 1.937 0.000 -3.189) 3.732 3.702 ( -1.937 0.000 3.189) 3.732 3.800 ( 5.567 0.000 -3.787) 6.733 3.800 ( -5.567 0.000 3.787) 6.733 3.881 ( -1.490 0.000 -6.012) 6.194 3.881 ( 1.490 0.000 6.012) 6.194 3.931 ( 0.106 0.000 -1.228) 1.232 3.931 ( -0.106 0.000 1.228) 1.232 4.017 ( -8.807 0.000 -2.626) 9.190 4.017 ( 8.807 0.000 2.626) 9.190 4.187 ( -0.764 0.000 -3.669) 3.747 4.187 ( 0.764 0.000 3.669) 3.747 4.300 ( -3.913 0.000 -1.720) 4.275 4.300 ( 3.913 0.000 1.720) 4.275 4.350 ( -2.398 0.000 -1.125) 2.649 4.350 ( 2.398 0.000 1.125) 2.649 4.383 ( 11.004 0.000 -5.408) 12.262 4.383 ( -11.004 0.000 5.408) 12.262 4.496 ( 3.270 0.000 -12.279) 12.707 4.496 ( -3.270 0.000 12.279) 12.707 4.534 ( 5.513 0.000 -4.326) 7.008 4.534 ( -5.513 0.000 4.326) 7.008 4.641 ( 0.013 0.000 -8.618) 8.618 4.641 ( -0.013 0.000 8.618) 8.618 5.055 ( -3.186 0.000 -4.093) 5.187 5.055 ( 3.186 0.000 4.093) 5.187 5.247 ( 3.406 0.000 -4.677) 5.786 5.247 ( -3.406 0.000 4.677) 5.786 5.312 ( -0.946 0.000 -0.175) 0.962 5.312 ( 0.946 0.000 0.175) 0.962 5.489 ( -5.078 0.000 -18.031) 18.732 5.489 ( 5.078 0.000 18.031) 18.732 5.543 ( 2.448 0.000 -0.876) 2.600 5.543 ( -2.448 0.000 0.876) 2.600 5.759 ( -5.823 0.000 -7.140) 9.213 5.759 ( 5.823 0.000 7.140) 9.213 5.849 ( -3.619 0.000 -2.455) 4.373 5.849 ( 3.619 0.000 2.455) 4.373 6.292 ( -3.294 0.000 -1.322) 3.549 6.292 ( 3.294 0.000 1.322) 3.549 6.349 ( 1.103 0.000 -3.897) 4.050 6.349 ( -1.103 0.000 3.897) 4.050 6.567 ( 0.242 0.000 -0.475) 0.533 6.567 ( -0.242 0.000 0.475) 0.533 6.655 ( -0.531 0.000 -1.370) 1.469 6.655 ( 0.531 0.000 1.370) 1.469 6.877 ( -3.973 0.000 1.171) 4.142 6.877 ( 3.973 0.000 -1.171) 4.142 7.006 ( -0.054 0.000 -1.464) 1.465 7.006 ( 0.054 0.000 1.464) 1.465 7.122 ( -3.532 0.000 -0.395) 3.554 7.122 ( 3.532 0.000 0.395) 3.554 7.216 ( -2.137 0.000 -2.346) 3.174 7.216 ( 2.137 0.000 2.346) 3.174 7.354 ( 2.224 0.000 -3.535) 4.176 7.354 ( -2.224 0.000 3.535) 4.176 7.418 ( -0.734 0.000 -8.730) 8.761 7.418 ( 0.734 0.000 8.730) 8.761 7.483 ( -1.287 0.000 -2.719) 3.008 7.483 ( 1.287 0.000 2.719) 3.008 7.545 ( -1.066 0.000 -2.959) 3.145 7.545 ( 1.066 0.000 2.959) 3.145 7.962 ( 1.511 0.000 -1.828) 2.372 7.962 ( -1.511 0.000 1.828) 2.372 8.112 ( 0.661 0.000 -2.353) 2.444 8.112 ( -0.661 0.000 2.353) 2.444 8.940 ( -1.034 0.000 -0.725) 1.263 8.940 ( 1.034 0.000 0.725) 1.263 8.964 ( -0.649 0.000 -0.285) 0.709 8.964 ( 0.649 0.000 0.285) 0.709 9.440 ( -2.300 0.000 -1.960) 3.022 9.440 ( 2.300 0.000 1.960) 3.022 9.460 ( -1.193 0.000 -2.041) 2.364 9.460 ( 1.193 0.000 2.041) 2.364 9.831 ( -4.207 0.000 -0.742) 4.271 9.831 ( 4.207 0.000 0.742) 4.271 9.857 ( -4.456 0.000 -0.819) 4.531 9.857 ( 4.456 0.000 0.819) 4.531 10.082 ( 4.353 0.000 -1.951) 4.771 10.082 ( -4.353 0.000 1.951) 4.771 10.089 ( 4.293 0.000 -2.690) 5.066 10.089 ( -4.293 0.000 2.690) 5.066 10.448 ( 0.056 0.000 -2.766) 2.767 10.448 ( -0.056 0.000 2.766) 2.767 10.462 ( 0.530 0.000 -2.112) 2.178 10.462 ( -0.530 0.000 2.112) 2.178 10.933 ( 0.877 0.000 -1.174) 1.465 10.933 ( -0.877 0.000 1.174) 1.465 11.461 ( 0.969 0.000 -2.305) 2.500 11.461 ( -0.969 0.000 2.305) 2.500 ======================= Grid point 101 (60/68) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -4.265 0.000 -14.166) 14.794 2.371 ( 0.124 0.000 -6.896) 6.897 2.410 ( -0.507 0.000 -6.150) 6.171 2.413 ( -2.861 0.000 1.228) 3.113 2.433 ( 4.007 0.000 -5.077) 6.468 2.506 ( 0.960 0.000 -2.479) 2.658 2.511 ( -5.466 0.000 10.012) 11.407 2.738 ( 0.523 0.000 4.120) 4.153 2.898 ( -4.337 0.000 3.184) 5.381 2.943 ( 2.179 0.000 1.142) 2.460 2.991 ( -6.387 0.000 16.645) 17.829 3.107 ( -12.669 0.000 3.781) 13.221 3.154 ( -5.293 0.000 0.081) 5.294 3.187 ( -1.366 0.000 1.434) 1.981 3.263 ( 5.735 0.000 8.802) 10.506 3.317 ( -1.596 0.000 -2.651) 3.094 3.340 ( 2.227 0.000 -4.589) 5.101 3.488 ( -7.303 0.000 5.544) 9.169 3.553 ( -10.813 0.000 6.525) 12.629 3.671 ( -2.233 0.000 -0.546) 2.299 3.735 ( -6.686 0.000 -3.064) 7.354 3.739 ( -12.165 0.000 -1.521) 12.260 3.791 ( 3.732 0.000 -12.567) 13.109 3.803 ( 2.079 0.000 1.805) 2.753 3.934 ( -5.130 0.000 1.854) 5.455 3.967 ( 3.555 0.000 -3.833) 5.228 4.008 ( -1.267 0.000 3.389) 3.618 4.051 ( -2.322 0.000 -1.692) 2.873 4.074 ( -3.748 0.000 -3.928) 5.429 4.097 ( -14.918 0.000 5.335) 15.843 4.175 ( -1.158 0.000 1.654) 2.019 4.256 ( -7.558 0.000 -6.510) 9.975 4.337 ( 7.091 0.000 -7.234) 10.130 4.341 ( -0.542 0.000 0.521) 0.752 4.437 ( 6.238 0.000 -4.475) 7.677 4.472 ( 7.468 0.000 -6.583) 9.955 4.539 ( 7.715 0.000 -4.971) 9.178 4.541 ( 1.679 0.000 0.223) 1.694 4.580 ( 0.161 0.000 -4.540) 4.543 4.648 ( 9.325 0.000 -3.397) 9.924 4.667 ( 9.752 0.000 -0.982) 9.801 4.803 ( 5.820 0.000 20.942) 21.736 5.030 ( 3.102 0.000 -13.346) 13.701 5.118 ( -1.818 0.000 -10.168) 10.329 5.136 ( -3.761 0.000 0.823) 3.850 5.166 ( -6.664 0.000 -7.501) 10.034 5.216 ( -6.540 0.000 -5.620) 8.623 5.273 ( -2.427 0.000 -5.336) 5.862 5.391 ( 4.136 0.000 0.737) 4.201 5.425 ( -0.589 0.000 -3.991) 4.034 5.535 ( 2.266 0.000 -11.201) 11.427 5.601 ( -1.522 0.000 2.721) 3.118 5.792 ( 7.273 0.000 -2.764) 7.780 5.898 ( 3.102 0.000 -1.712) 3.543 5.984 ( 15.628 0.000 7.574) 17.367 6.042 ( 11.785 0.000 6.399) 13.411 6.227 ( -3.598 0.000 2.057) 4.144 6.308 ( -1.120 0.000 -5.071) 5.193 6.328 ( -1.827 0.000 -0.207) 1.838 6.380 ( 4.903 0.000 2.473) 5.491 6.551 ( -3.347 0.000 -0.314) 3.362 6.572 ( -1.444 0.000 -1.635) 2.181 6.633 ( 0.434 0.000 4.800) 4.819 6.673 ( 3.193 0.000 1.866) 3.699 6.821 ( -4.838 0.000 4.382) 6.528 6.912 ( -3.394 0.000 3.390) 4.797 7.022 ( -1.054 0.000 2.657) 2.858 7.022 ( 1.380 0.000 1.124) 1.780 7.080 ( 0.666 0.000 1.047) 1.241 7.148 ( -1.207 0.000 -2.344) 2.637 7.183 ( -0.421 0.000 3.025) 3.054 7.266 ( 1.573 0.000 2.410) 2.878 7.346 ( -1.513 0.000 4.012) 4.287 7.375 ( 2.914 0.000 -3.484) 4.542 7.396 ( 3.075 0.000 -4.971) 5.845 7.469 ( 1.507 0.000 -1.077) 1.852 7.501 ( 0.615 0.000 0.233) 0.657 7.540 ( 2.356 0.000 9.940) 10.216 7.556 ( 1.844 0.000 5.952) 6.231 7.606 ( 1.750 0.000 6.477) 6.709 7.956 ( -0.836 0.000 2.586) 2.718 7.977 ( 1.234 0.000 -1.318) 1.806 8.101 ( -0.467 0.000 -1.051) 1.150 8.112 ( -1.607 0.000 3.743) 4.073 8.921 ( -0.457 0.000 -0.608) 0.761 8.956 ( -0.207 0.000 0.245) 0.321 8.961 ( 0.772 0.000 0.501) 0.920 8.983 ( 0.893 0.000 1.299) 1.576 9.396 ( -1.320 0.000 -0.719) 1.503 9.432 ( -0.526 0.000 -1.084) 1.205 9.483 ( 0.421 0.000 2.321) 2.359 9.508 ( 1.963 0.000 3.842) 4.314 9.744 ( -4.745 0.000 -1.194) 4.893 9.762 ( -4.789 0.000 -1.745) 5.097 9.877 ( -1.446 0.000 -0.022) 1.446 9.901 ( -0.409 0.000 -1.564) 1.616 10.033 ( -1.331 0.000 2.329) 2.683 10.053 ( -0.313 0.000 2.947) 2.963 10.132 ( 3.345 0.000 -3.672) 4.967 10.141 ( 3.223 0.000 -2.192) 3.898 10.416 ( -0.578 0.000 -4.026) 4.067 10.448 ( -1.583 0.000 1.582) 2.237 10.469 ( 1.668 0.000 -0.921) 1.905 10.473 ( -0.316 0.000 2.850) 2.868 10.898 ( -2.883 0.000 -1.315) 3.168 10.912 ( -1.282 0.000 -3.711) 3.926 11.397 ( -6.210 0.000 -1.619) 6.418 11.401 ( -4.235 0.000 -5.538) 6.972 ======================= Grid point 102 (61/68) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.466 0.000 -19.361) 19.367 2.230 ( -3.445 0.000 -27.109) 27.327 2.327 ( -4.731 0.000 1.604) 4.995 2.394 ( -2.890 0.000 2.749) 3.988 2.500 ( 3.624 0.000 3.738) 5.206 2.501 ( -0.469 0.000 1.715) 1.777 2.541 ( 2.765 0.000 3.248) 4.265 2.728 ( -1.454 0.000 -0.569) 1.562 2.797 ( -9.026 0.000 4.747) 10.198 2.853 ( -12.406 0.000 5.187) 13.446 2.982 ( -8.105 0.000 9.479) 12.472 3.033 ( -13.381 0.000 13.947) 19.328 3.091 ( 5.063 0.000 8.462) 9.861 3.121 ( -9.511 0.000 6.059) 11.277 3.259 ( 1.653 0.000 6.176) 6.393 3.276 ( 2.957 0.000 -8.960) 9.436 3.382 ( -5.322 0.000 2.388) 5.833 3.429 ( -10.127 0.000 3.919) 10.859 3.440 ( -0.043 0.000 -0.074) 0.085 3.560 ( -7.065 0.000 -4.530) 8.393 3.568 ( -5.547 0.000 1.679) 5.795 3.688 ( -4.517 0.000 -0.730) 4.575 3.774 ( -12.747 0.000 -0.923) 12.781 3.780 ( 0.410 0.000 1.505) 1.560 3.818 ( 1.357 0.000 -5.655) 5.815 3.836 ( -6.548 0.000 -1.445) 6.706 3.916 ( -3.740 0.000 0.044) 3.740 3.975 ( -1.193 0.000 -3.475) 3.675 4.064 ( 2.232 0.000 1.152) 2.512 4.117 ( 8.656 0.000 -5.902) 10.476 4.155 ( 3.388 0.000 -2.580) 4.259 4.326 ( 1.049 0.000 -8.566) 8.630 4.347 ( 0.415 0.000 4.314) 4.334 4.352 ( 7.410 0.000 7.810) 10.766 4.496 ( 3.418 0.000 -1.032) 3.571 4.526 ( -2.118 0.000 -6.600) 6.932 4.553 ( 3.504 0.000 -15.275) 15.672 4.569 ( 1.218 0.000 1.094) 1.637 4.607 ( 5.083 0.000 2.840) 5.822 4.702 ( -0.849 0.000 -1.499) 1.723 4.736 ( -2.285 0.000 -4.913) 5.418 4.916 ( 0.900 0.000 -13.376) 13.406 5.014 ( -6.213 0.000 -4.361) 7.591 5.035 ( 12.157 0.000 -17.267) 21.118 5.049 ( 2.501 0.000 -8.339) 8.706 5.112 ( 1.341 0.000 -8.523) 8.628 5.132 ( 2.156 0.000 0.002) 2.156 5.240 ( 3.835 0.000 14.314) 14.819 5.411 ( -4.710 0.000 -6.631) 8.133 5.412 ( -5.559 0.000 -1.670) 5.804 5.528 ( 3.294 0.000 -4.109) 5.267 5.616 ( 6.354 0.000 3.193) 7.112 5.889 ( 0.089 0.000 -3.665) 3.666 5.920 ( 9.141 0.000 -5.484) 10.660 6.182 ( -3.584 0.000 -1.239) 3.793 6.202 ( -2.594 0.000 -6.543) 7.038 6.264 ( 4.374 0.000 7.040) 8.288 6.293 ( 9.961 0.000 -0.526) 9.974 6.372 ( 11.254 0.000 -1.154) 11.313 6.436 ( -0.001 0.000 0.576) 0.576 6.559 ( 2.826 0.000 3.944) 4.852 6.564 ( 0.910 0.000 5.742) 5.813 6.684 ( 1.144 0.000 2.110) 2.400 6.726 ( -1.274 0.000 1.460) 1.938 6.810 ( -10.372 0.000 8.588) 13.466 6.822 ( 3.567 0.000 4.675) 5.880 7.032 ( -0.711 0.000 4.829) 4.881 7.048 ( -0.520 0.000 3.870) 3.904 7.108 ( -1.528 0.000 -0.742) 1.698 7.110 ( 1.257 0.000 -1.183) 1.726 7.186 ( -1.173 0.000 0.904) 1.481 7.294 ( 0.128 0.000 -0.115) 0.172 7.363 ( 0.512 0.000 3.294) 3.334 7.408 ( 3.302 0.000 -3.282) 4.655 7.428 ( 2.881 0.000 -2.815) 4.028 7.500 ( -0.963 0.000 1.822) 2.061 7.513 ( 3.595 0.000 -0.463) 3.625 7.612 ( -0.233 0.000 7.896) 7.899 7.685 ( 3.925 0.000 9.307) 10.101 7.687 ( 1.821 0.000 7.103) 7.333 7.964 ( -0.723 0.000 3.075) 3.158 7.980 ( -0.222 0.000 -0.448) 0.500 8.090 ( 0.119 0.000 -0.387) 0.404 8.117 ( -1.360 0.000 5.823) 5.980 8.918 ( 0.556 0.000 -0.306) 0.635 8.961 ( 0.523 0.000 0.363) 0.637 8.973 ( 0.186 0.000 0.522) 0.554 9.007 ( 0.327 0.000 1.891) 1.919 9.388 ( 0.497 0.000 0.296) 0.578 9.431 ( 1.047 0.000 -0.359) 1.107 9.491 ( -1.460 0.000 2.283) 2.710 9.562 ( -0.162 0.000 4.893) 4.895 9.653 ( -3.730 0.000 -1.650) 4.078 9.673 ( -3.857 0.000 -1.355) 4.088 9.781 ( -5.905 0.000 -3.620) 6.927 9.814 ( -6.788 0.000 -1.816) 7.026 10.084 ( 3.035 0.000 3.776) 4.845 10.109 ( 2.380 0.000 4.125) 4.763 10.148 ( 1.677 0.000 -4.041) 4.375 10.170 ( 1.955 0.000 -2.455) 3.138 10.388 ( 1.136 0.000 -4.339) 4.485 10.420 ( -2.073 0.000 0.451) 2.122 10.494 ( 0.465 0.000 3.442) 3.473 10.512 ( 3.323 0.000 0.132) 3.326 10.822 ( -3.701 0.000 -2.755) 4.614 10.843 ( -2.732 0.000 -5.129) 5.811 11.239 ( -8.299 0.000 -4.622) 9.499 11.251 ( -6.892 0.000 -7.570) 10.238 ======================= Grid point 103 (62/68) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.569 0.000 -21.807) 21.815 2.002 ( 2.566 0.000 -13.477) 13.719 2.232 ( -7.438 0.000 3.320) 8.145 2.262 ( -9.932 0.000 -4.039) 10.722 2.518 ( 0.003 0.000 2.576) 2.576 2.558 ( -1.630 0.000 3.770) 4.108 2.627 ( 5.421 0.000 -0.371) 5.434 2.682 ( -2.579 0.000 0.619) 2.652 2.756 ( -0.193 0.000 8.004) 8.006 2.762 ( -1.385 0.000 4.215) 4.437 2.901 ( -3.595 0.000 5.828) 6.848 2.922 ( -8.621 0.000 11.064) 14.026 3.032 ( -7.189 0.000 4.909) 8.705 3.221 ( 2.610 0.000 -6.111) 6.645 3.243 ( -1.295 0.000 -0.747) 1.496 3.287 ( -5.516 0.000 3.356) 6.457 3.353 ( -3.258 0.000 -4.885) 5.872 3.355 ( -1.209 0.000 5.415) 5.548 3.374 ( 2.045 0.000 6.264) 6.589 3.414 ( -4.346 0.000 -2.952) 5.254 3.517 ( -2.858 0.000 5.631) 6.315 3.589 ( -4.131 0.000 -4.917) 6.422 3.618 ( -2.235 0.000 1.590) 2.743 3.731 ( -2.463 0.000 -5.007) 5.580 3.740 ( -1.358 0.000 4.183) 4.398 3.800 ( -3.307 0.000 -0.997) 3.454 3.897 ( -0.938 0.000 0.378) 1.012 4.004 ( 4.298 0.000 -1.300) 4.490 4.078 ( -1.793 0.000 0.682) 1.918 4.170 ( -4.030 0.000 -1.999) 4.498 4.270 ( 0.459 0.000 -5.679) 5.698 4.285 ( 8.545 0.000 -1.507) 8.677 4.327 ( -0.509 0.000 -16.908) 16.915 4.443 ( 0.056 0.000 -6.923) 6.924 4.499 ( 4.582 0.000 8.452) 9.614 4.506 ( 3.538 0.000 0.951) 3.663 4.556 ( 0.667 0.000 -0.299) 0.731 4.582 ( -1.309 0.000 2.594) 2.905 4.645 ( -1.888 0.000 4.162) 4.570 4.665 ( -1.235 0.000 4.581) 4.745 4.772 ( 5.308 0.000 4.443) 6.922 4.904 ( -1.491 0.000 -3.769) 4.054 4.939 ( 6.994 0.000 -6.482) 9.536 4.994 ( -2.310 0.000 -8.125) 8.447 5.044 ( 5.138 0.000 -12.027) 13.079 5.137 ( 1.108 0.000 -8.568) 8.639 5.147 ( -1.727 0.000 -10.332) 10.476 5.241 ( 0.518 0.000 -10.181) 10.195 5.243 ( 0.951 0.000 -8.965) 9.016 5.441 ( -10.034 0.000 6.703) 12.067 5.590 ( 9.207 0.000 18.801) 20.934 5.793 ( 7.192 0.000 5.745) 9.205 5.896 ( 3.264 0.000 -3.607) 4.865 5.991 ( 2.907 0.000 -7.363) 7.916 6.078 ( -4.903 0.000 -3.947) 6.295 6.087 ( -2.904 0.000 -6.939) 7.522 6.357 ( 2.368 0.000 4.594) 5.168 6.365 ( -2.504 0.000 0.646) 2.586 6.463 ( -1.740 0.000 1.430) 2.253 6.500 ( 6.016 0.000 0.445) 6.033 6.647 ( 0.778 0.000 3.023) 3.121 6.662 ( -1.906 0.000 4.529) 4.913 6.693 ( 3.600 0.000 -6.588) 7.508 6.739 ( 8.589 0.000 -0.956) 8.642 6.759 ( -0.241 0.000 9.568) 9.571 6.934 ( 4.414 0.000 2.377) 5.013 7.052 ( -3.438 0.000 5.030) 6.093 7.063 ( 0.171 0.000 5.042) 5.045 7.089 ( -0.863 0.000 2.915) 3.041 7.101 ( -0.928 0.000 -1.732) 1.965 7.164 ( -0.003 0.000 -2.802) 2.802 7.258 ( -3.425 0.000 -1.560) 3.763 7.399 ( 0.861 0.000 2.278) 2.435 7.431 ( 1.266 0.000 -2.375) 2.691 7.448 ( 1.444 0.000 -1.912) 2.396 7.488 ( -2.059 0.000 2.008) 2.876 7.577 ( 4.220 0.000 -1.643) 4.529 7.643 ( -2.295 0.000 7.002) 7.369 7.763 ( 2.098 0.000 4.078) 4.586 7.790 ( 1.723 0.000 4.935) 5.227 7.969 ( -0.826 0.000 2.433) 2.569 7.971 ( -0.382 0.000 0.277) 0.472 8.105 ( 2.203 0.000 -1.418) 2.620 8.138 ( -1.651 0.000 6.480) 6.687 8.935 ( 1.486 0.000 -0.126) 1.492 8.975 ( -0.417 0.000 0.536) 0.680 8.979 ( 1.330 0.000 0.069) 1.331 9.017 ( -0.830 0.000 1.833) 2.012 9.410 ( 1.511 0.000 0.155) 1.519 9.457 ( 1.809 0.000 -0.449) 1.864 9.465 ( -2.509 0.000 1.307) 2.829 9.535 ( -3.936 0.000 0.983) 4.057 9.614 ( -2.276 0.000 0.147) 2.281 9.626 ( -0.698 0.000 2.696) 2.785 9.657 ( -4.230 0.000 -4.162) 5.934 9.686 ( -4.499 0.000 -2.670) 5.231 10.142 ( -0.220 0.000 4.209) 4.214 10.144 ( 1.221 0.000 -3.681) 3.878 10.172 ( 0.542 0.000 4.927) 4.957 10.181 ( 1.670 0.000 -3.012) 3.444 10.398 ( 2.680 0.000 -3.384) 4.317 10.400 ( -0.078 0.000 0.586) 0.591 10.542 ( 1.753 0.000 4.259) 4.606 10.576 ( 3.333 0.000 -0.028) 3.334 10.743 ( -2.692 0.000 -2.494) 3.669 10.755 ( -2.968 0.000 -4.110) 5.070 11.072 ( -6.271 0.000 -3.894) 7.382 11.080 ( -5.574 0.000 -7.013) 8.958 ======================= Grid point 104 (63/68) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.601 0.000 -5.005) 6.799 1.948 ( -4.601 0.000 5.005) 6.799 2.152 ( 3.210 0.000 -5.598) 6.453 2.152 ( -3.210 0.000 5.598) 6.453 2.535 ( -0.895 0.000 -1.324) 1.598 2.535 ( 0.895 0.000 1.324) 1.598 2.668 ( 0.372 0.000 -0.555) 0.668 2.668 ( -0.372 0.000 0.555) 0.668 2.818 ( -2.041 0.000 0.475) 2.095 2.818 ( 2.041 0.000 -0.475) 2.095 2.862 ( 1.347 0.000 -1.603) 2.093 2.862 ( -1.347 0.000 1.603) 2.093 3.071 ( -5.638 0.000 -9.272) 10.851 3.071 ( 5.638 0.000 9.272) 10.851 3.237 ( -0.598 0.000 -0.057) 0.601 3.237 ( 0.598 0.000 0.057) 0.601 3.346 ( 2.549 0.000 -2.926) 3.881 3.346 ( -2.549 0.000 2.926) 3.881 3.386 ( -1.093 0.000 0.363) 1.152 3.386 ( 1.093 0.000 -0.363) 1.152 3.559 ( 0.404 0.000 -10.372) 10.380 3.559 ( -0.404 0.000 10.372) 10.380 3.660 ( -8.593 0.000 -2.657) 8.994 3.660 ( 8.593 0.000 2.657) 8.994 3.753 ( -0.929 0.000 -2.527) 2.692 3.753 ( 0.929 0.000 2.527) 2.692 3.961 ( -6.253 0.000 -10.557) 12.270 3.961 ( 6.253 0.000 10.557) 12.270 4.049 ( 1.772 0.000 -2.185) 2.813 4.049 ( -1.772 0.000 2.185) 2.813 4.248 ( 0.144 0.000 -1.329) 1.337 4.248 ( -0.144 0.000 1.329) 1.337 4.448 ( -8.363 0.000 2.508) 8.731 4.448 ( 8.363 0.000 -2.508) 8.731 4.492 ( -3.618 0.000 -3.191) 4.825 4.492 ( 3.618 0.000 3.191) 4.825 4.585 ( 0.589 0.000 -1.368) 1.489 4.585 ( -0.589 0.000 1.368) 1.489 4.717 ( -2.603 0.000 -6.562) 7.059 4.717 ( 2.603 0.000 6.562) 7.059 4.869 ( -3.403 0.000 -3.294) 4.737 4.869 ( 3.403 0.000 3.294) 4.737 4.919 ( -3.155 0.000 -8.836) 9.383 4.919 ( 3.155 0.000 8.836) 9.383 5.039 ( -1.202 0.000 -1.471) 1.900 5.039 ( 1.202 0.000 1.471) 1.900 5.177 ( 12.440 0.000 -7.077) 14.312 5.177 ( -12.440 0.000 7.077) 14.312 5.303 ( 8.211 0.000 -7.961) 11.437 5.303 ( -8.211 0.000 7.961) 11.437 5.846 ( -4.999 0.000 -8.342) 9.725 5.846 ( 4.999 0.000 8.342) 9.725 5.942 ( -2.748 0.000 -1.938) 3.362 5.942 ( 2.748 0.000 1.938) 3.362 6.009 ( -0.658 0.000 -3.738) 3.795 6.009 ( 0.658 0.000 3.738) 3.795 6.357 ( 3.167 0.000 -2.734) 4.184 6.357 ( -3.167 0.000 2.734) 4.184 6.497 ( -4.392 0.000 -1.018) 4.508 6.497 ( 4.392 0.000 1.018) 4.508 6.655 ( -0.814 0.000 -0.503) 0.956 6.655 ( 0.814 0.000 0.503) 0.956 6.752 ( 5.160 0.000 -8.919) 10.304 6.752 ( -5.160 0.000 8.919) 10.304 6.926 ( -7.911 0.000 1.681) 8.088 6.926 ( 7.911 0.000 -1.681) 8.088 7.057 ( -1.582 0.000 -3.782) 4.100 7.057 ( 1.582 0.000 3.782) 4.100 7.096 ( -0.259 0.000 -1.669) 1.689 7.096 ( 0.259 0.000 1.669) 1.689 7.177 ( -4.018 0.000 1.140) 4.177 7.177 ( 4.018 0.000 -1.140) 4.177 7.422 ( -0.534 0.000 -1.289) 1.395 7.422 ( 0.534 0.000 1.289) 1.395 7.463 ( 1.369 0.000 -0.458) 1.444 7.463 ( -1.369 0.000 0.458) 1.444 7.629 ( 3.790 0.000 -4.530) 5.906 7.629 ( -3.790 0.000 4.530) 5.906 7.810 ( -1.152 0.000 -0.077) 1.155 7.810 ( 1.152 0.000 0.077) 1.155 7.970 ( 0.338 0.000 -0.878) 0.941 7.970 ( -0.338 0.000 0.878) 0.941 8.136 ( 2.869 0.000 -4.011) 4.932 8.136 ( -2.869 0.000 4.011) 4.932 8.962 ( -1.408 0.000 0.257) 1.432 8.962 ( 1.408 0.000 -0.257) 1.432 9.004 ( 1.584 0.000 -0.904) 1.824 9.004 ( -1.584 0.000 0.904) 1.824 9.435 ( 1.637 0.000 -0.822) 1.831 9.435 ( -1.637 0.000 0.822) 1.831 9.485 ( 2.243 0.000 -0.883) 2.410 9.485 ( -2.243 0.000 0.883) 2.410 9.597 ( 0.013 0.000 -1.916) 1.916 9.597 ( -0.013 0.000 1.916) 1.916 9.634 ( 0.239 0.000 -2.859) 2.869 9.634 ( -0.239 0.000 2.859) 2.869 10.146 ( 1.729 0.000 -3.413) 3.826 10.146 ( -1.729 0.000 3.413) 3.826 10.189 ( 1.726 0.000 -3.909) 4.273 10.189 ( -1.726 0.000 3.909) 4.273 10.413 ( 0.741 0.000 -2.463) 2.572 10.413 ( -0.741 0.000 2.463) 2.572 10.596 ( -0.298 0.000 -3.510) 3.522 10.596 ( 0.298 0.000 3.510) 3.522 10.708 ( 0.252 0.000 -0.347) 0.429 10.708 ( -0.252 0.000 0.347) 0.429 10.996 ( 0.488 0.000 -1.674) 1.744 10.996 ( -0.488 0.000 1.674) 1.744 ======================= Grid point 109 (64/68) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 1.292 -3.423 -5.199) 6.357 2.270 ( -1.292 -3.423 5.199) 6.357 2.438 ( 0.399 -1.914 -5.101) 5.463 2.438 ( -0.399 -1.914 5.101) 5.463 2.551 ( 0.490 4.031 -4.111) 5.778 2.551 ( -0.490 4.031 4.111) 5.778 2.684 ( 7.442 8.041 -8.647) 13.958 2.684 ( -7.442 8.041 8.647) 13.958 2.860 ( 7.356 -7.657 -3.069) 11.053 2.860 ( -7.356 -7.657 3.069) 11.053 3.070 ( 2.181 1.738 -4.409) 5.217 3.070 ( -2.181 1.738 4.409) 5.217 3.171 ( 0.165 -0.877 -3.732) 3.838 3.171 ( -0.165 -0.877 3.732) 3.838 3.272 ( -2.910 -1.776 0.715) 3.484 3.272 ( 2.910 -1.776 -0.715) 3.484 3.476 ( -3.129 3.941 -2.836) 5.777 3.476 ( 3.129 3.941 2.836) 5.777 3.676 ( 2.550 -2.147 -2.635) 4.249 3.676 ( -2.550 -2.147 2.635) 4.249 3.787 ( -1.282 -1.046 -0.925) 1.896 3.787 ( 1.282 -1.046 0.925) 1.896 3.866 ( -0.839 -0.690 -4.190) 4.329 3.866 ( 0.839 -0.690 4.190) 4.329 3.947 ( 1.125 1.583 -1.991) 2.781 3.947 ( -1.125 1.583 1.991) 2.781 4.012 ( -3.904 -0.283 -1.496) 4.190 4.012 ( 3.904 -0.283 1.496) 4.190 4.222 ( 0.599 1.216 -1.367) 1.925 4.222 ( -0.599 1.216 1.367) 1.925 4.300 ( -4.150 0.578 -2.600) 4.931 4.300 ( 4.150 0.578 2.600) 4.931 4.358 ( -1.826 0.844 -1.315) 2.403 4.358 ( 1.826 0.844 1.315) 2.403 4.380 ( 3.095 -0.691 -5.758) 6.574 4.380 ( -3.095 -0.691 5.758) 6.574 4.470 ( -0.395 -2.414 -3.648) 4.392 4.470 ( 0.395 -2.414 3.648) 4.392 4.510 ( 0.734 0.210 -2.976) 3.072 4.510 ( -0.734 0.210 2.976) 3.072 4.722 ( -1.345 5.274 -9.967) 11.356 4.722 ( 1.345 5.274 9.967) 11.356 4.964 ( -3.300 -6.629 -10.227) 12.626 4.964 ( 3.300 -6.629 10.227) 12.626 5.175 ( -0.480 -3.006 -0.592) 3.101 5.175 ( 0.480 -3.006 0.592) 3.101 5.326 ( -0.526 -0.399 -2.535) 2.619 5.326 ( 0.526 -0.399 2.535) 2.619 5.562 ( -1.120 6.979 -4.435) 8.344 5.562 ( 1.120 6.979 4.435) 8.344 5.621 ( -2.413 3.956 -4.692) 6.594 5.621 ( 2.413 3.956 4.692) 6.594 5.695 ( -0.954 -5.593 -5.727) 8.062 5.695 ( 0.954 -5.593 5.727) 8.062 5.868 ( 0.644 0.946 -1.615) 1.979 5.868 ( -0.644 0.946 1.615) 1.979 6.305 ( -1.914 1.061 -0.161) 2.194 6.305 ( 1.914 1.061 0.161) 2.194 6.337 ( 0.416 -0.959 -2.451) 2.665 6.337 ( -0.416 -0.959 2.451) 2.665 6.578 ( -3.088 1.417 0.401) 3.421 6.578 ( 3.088 1.417 -0.401) 3.421 6.622 ( -3.607 -2.711 -0.441) 4.534 6.622 ( 3.607 -2.711 0.441) 4.534 6.887 ( -1.413 0.609 0.219) 1.554 6.887 ( 1.413 0.609 -0.219) 1.554 6.998 ( -0.117 -0.479 -0.809) 0.948 6.998 ( 0.117 -0.479 0.809) 0.948 7.130 ( -1.574 0.491 -0.324) 1.680 7.130 ( 1.574 0.491 0.324) 1.680 7.209 ( -0.877 -0.440 -1.306) 1.634 7.209 ( 0.877 -0.440 1.306) 1.634 7.373 ( 1.009 1.585 -4.646) 5.011 7.373 ( -1.009 1.585 4.646) 5.011 7.406 ( -0.148 -1.189 -7.305) 7.403 7.406 ( 0.148 -1.189 7.305) 7.403 7.487 ( -1.364 0.336 -2.670) 3.017 7.487 ( 1.364 0.336 2.670) 3.017 7.525 ( -1.302 -1.306 -2.874) 3.415 7.525 ( 1.302 -1.306 2.874) 3.415 7.998 ( 1.087 2.867 -1.804) 3.557 7.998 ( -1.087 2.867 1.804) 3.557 8.086 ( 0.671 -2.239 -2.043) 3.104 8.086 ( -0.671 -2.239 2.043) 3.104 8.946 ( -0.939 0.543 -0.590) 1.235 8.946 ( 0.939 0.543 0.590) 1.235 8.958 ( -0.752 -0.547 -0.343) 0.991 8.958 ( 0.752 -0.547 0.343) 0.991 9.432 ( -0.741 -0.367 -0.520) 0.977 9.432 ( 0.741 -0.367 0.520) 0.977 9.471 ( -0.199 0.535 -0.550) 0.793 9.471 ( 0.199 0.535 0.550) 0.793 9.835 ( -2.926 0.302 -0.545) 2.992 9.835 ( 2.926 0.302 0.545) 2.992 9.854 ( -3.057 -0.263 -0.583) 3.123 9.854 ( 3.057 -0.263 0.583) 3.123 10.084 ( 2.568 0.111 -1.663) 3.062 10.084 ( -2.568 0.111 1.663) 3.062 10.088 ( 3.228 -0.092 -2.171) 3.891 10.088 ( -3.228 -0.092 2.171) 3.891 10.448 ( 0.020 0.015 -1.442) 1.442 10.448 ( -0.020 0.015 1.442) 1.442 10.462 ( 0.261 -0.023 -1.111) 1.142 10.462 ( -0.261 -0.023 1.111) 1.142 10.934 ( 0.440 0.059 -0.594) 0.741 10.934 ( -0.440 0.059 0.594) 0.741 11.457 ( 0.485 -0.204 -1.156) 1.270 11.457 ( -0.485 -0.204 1.156) 1.270 ======================= Grid point 111 (65/68) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -0.480 -2.414 -18.943) 19.103 2.218 ( 2.510 -6.705 -16.830) 18.290 2.418 ( -4.439 1.246 8.887) 10.012 2.450 ( -3.783 -1.314 8.099) 9.035 2.528 ( -0.106 6.489 -3.414) 7.333 2.545 ( -3.968 6.744 6.365) 10.086 2.667 ( -0.821 -1.746 5.806) 6.118 2.741 ( -4.642 -1.101 2.028) 5.184 2.780 ( 1.976 3.595 -5.654) 6.986 2.968 ( 5.383 -4.045 0.258) 6.739 3.052 ( -4.529 5.992 4.826) 8.928 3.096 ( -5.790 0.628 8.244) 10.094 3.163 ( -8.089 -1.764 7.509) 11.177 3.179 ( -2.726 -4.163 10.926) 12.006 3.207 ( 3.498 -0.202 0.673) 3.568 3.242 ( -5.594 -4.004 -0.191) 6.882 3.389 ( -2.207 4.937 -5.353) 7.609 3.489 ( -5.095 -4.761 0.969) 7.040 3.600 ( -1.171 6.906 3.840) 7.988 3.668 ( -3.902 -1.637 2.612) 4.972 3.696 ( -7.896 -0.469 -0.751) 7.945 3.759 ( -6.348 -1.901 -3.444) 7.469 3.784 ( -9.937 3.289 -1.679) 10.601 3.839 ( -2.020 -1.913 -5.984) 6.599 3.922 ( -0.539 0.821 -3.159) 3.308 3.951 ( 4.146 -1.138 -2.135) 4.801 3.982 ( 0.907 -2.214 3.377) 4.139 4.006 ( -0.082 -2.048 -1.659) 2.637 4.125 ( -6.846 4.467 -2.254) 8.480 4.156 ( -7.700 4.683 5.014) 10.313 4.205 ( -5.850 0.807 -2.760) 6.518 4.239 ( -8.817 -2.559 0.173) 9.182 4.294 ( 2.383 -1.515 -3.045) 4.153 4.335 ( 1.446 -2.033 -3.898) 4.628 4.411 ( 4.874 -0.384 -6.562) 8.183 4.453 ( 5.309 -2.413 -5.267) 7.857 4.524 ( 6.629 -0.155 -5.564) 8.656 4.533 ( 4.152 -0.766 -3.536) 5.507 4.605 ( 6.292 1.679 -3.327) 7.313 4.633 ( 10.177 -2.115 -1.796) 10.549 4.652 ( 3.853 1.614 -5.470) 6.882 4.736 ( 0.607 -6.178 -9.088) 11.006 5.026 ( 2.453 3.451 6.158) 7.473 5.081 ( -3.748 -1.235 -3.338) 5.169 5.114 ( -0.532 -1.617 1.807) 2.482 5.188 ( 9.470 -2.713 8.533) 13.033 5.288 ( -5.120 4.967 -2.436) 7.538 5.332 ( -1.506 0.564 0.883) 1.835 5.451 ( -3.050 5.418 -9.147) 11.060 5.513 ( 0.929 9.030 -7.033) 11.483 5.550 ( -5.555 0.767 -5.023) 7.528 5.624 ( 2.327 2.979 -1.452) 4.049 5.727 ( 6.444 -4.167 -6.294) 9.925 5.833 ( 7.592 -10.193 1.005) 12.749 5.950 ( 8.884 0.647 -3.922) 9.733 5.992 ( 10.912 -3.025 0.618) 11.340 6.270 ( -3.995 2.426 3.310) 5.727 6.301 ( -1.894 -0.580 0.108) 1.984 6.351 ( 0.629 1.816 -1.155) 2.243 6.385 ( 4.621 -0.658 1.445) 4.886 6.535 ( -2.454 0.977 2.048) 3.343 6.587 ( 0.733 -3.286 4.692) 5.775 6.619 ( 0.100 3.165 -0.201) 3.173 6.673 ( 1.430 -1.668 1.397) 2.604 6.840 ( -3.616 2.353 4.223) 6.037 6.891 ( -1.637 -2.255 3.516) 4.486 7.017 ( 0.472 0.348 2.102) 2.182 7.030 ( 0.770 -0.346 1.917) 2.094 7.102 ( -1.228 2.411 1.138) 2.935 7.151 ( 0.278 -1.468 0.168) 1.503 7.173 ( -2.658 0.950 1.230) 3.079 7.220 ( -0.443 -3.114 1.677) 3.564 7.376 ( 2.050 1.365 -1.935) 3.132 7.389 ( 2.867 -0.013 -4.148) 5.042 7.422 ( 1.676 3.483 3.271) 5.063 7.464 ( 0.460 -0.072 -0.939) 1.048 7.502 ( 0.808 -1.271 -0.120) 1.511 7.505 ( 3.372 -2.539 8.845) 9.801 7.555 ( 2.120 1.240 6.231) 6.697 7.591 ( 2.222 -1.654 6.292) 6.875 7.989 ( -0.987 2.776 1.838) 3.472 8.004 ( 0.280 1.918 -0.815) 2.103 8.078 ( -0.563 -1.707 0.322) 1.826 8.088 ( -1.039 -2.079 2.647) 3.522 8.929 ( -0.415 0.800 -0.352) 0.968 8.946 ( -0.312 -0.793 0.011) 0.853 8.969 ( 0.878 0.517 0.779) 1.283 8.979 ( 0.924 -0.454 1.112) 1.515 9.404 ( -1.009 0.734 -0.562) 1.368 9.421 ( -0.574 -0.919 -0.661) 1.269 9.494 ( 0.623 0.812 2.382) 2.592 9.506 ( 1.403 -0.341 3.160) 3.474 9.748 ( -4.775 0.379 -1.397) 4.989 9.757 ( -4.787 -0.488 -1.671) 5.093 9.884 ( -1.218 0.658 -0.277) 1.412 9.897 ( -0.707 -0.478 -1.051) 1.353 10.038 ( -1.077 0.472 2.470) 2.735 10.048 ( -0.568 -0.494 2.765) 2.865 10.135 ( 3.388 0.245 -3.388) 4.798 10.139 ( 3.313 -0.176 -2.612) 4.222 10.421 ( -0.821 0.534 -2.997) 3.153 10.436 ( -1.096 -0.929 -0.699) 1.598 10.473 ( 0.737 0.221 1.203) 1.428 10.475 ( 0.266 0.079 1.962) 1.981 10.902 ( -2.525 0.342 -1.952) 3.209 10.909 ( -1.722 -0.298 -3.157) 3.608 11.396 ( -5.610 -0.033 -2.573) 6.172 11.398 ( -4.642 -0.230 -4.494) 6.465 ======================= Grid point 112 (66/68) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 2.205 1.460 -19.793) 19.968 2.175 ( 4.127 -10.731 -11.767) 16.452 2.363 ( -5.652 5.324 -0.613) 7.789 2.427 ( -1.327 2.853 -3.840) 4.964 2.491 ( -3.911 2.682 2.168) 5.214 2.515 ( -3.620 5.406 2.639) 7.021 2.662 ( -4.828 -6.256 3.133) 8.501 2.677 ( -1.619 -6.630 -0.773) 6.869 2.756 ( -0.329 10.487 5.621) 11.903 2.896 ( -12.958 2.376 9.011) 15.961 2.973 ( -7.660 -5.431 2.555) 9.732 2.982 ( -15.249 -3.749 7.588) 17.441 3.120 ( 1.226 3.309 2.283) 4.203 3.156 ( -3.047 1.668 5.518) 6.521 3.220 ( -0.999 1.614 7.164) 7.411 3.304 ( -4.263 -4.195 -2.639) 6.537 3.345 ( 1.694 2.245 2.705) 3.902 3.392 ( -3.175 0.007 3.194) 4.503 3.553 ( -5.842 1.478 -2.074) 6.373 3.567 ( -7.547 2.853 1.581) 8.222 3.596 ( -8.352 0.874 -2.820) 8.858 3.653 ( 1.273 -4.503 1.023) 4.790 3.677 ( 0.322 -2.691 0.745) 2.811 3.744 ( -6.204 -2.528 2.354) 7.100 3.862 ( -4.455 4.113 -8.961) 10.819 3.888 ( -3.200 1.151 -0.690) 3.470 3.952 ( -2.545 2.457 -3.172) 4.751 4.001 ( -3.606 3.976 -0.354) 5.379 4.063 ( 2.003 -4.187 -0.945) 4.737 4.102 ( 0.409 4.179 0.681) 4.254 4.123 ( 1.646 -3.011 -4.217) 5.437 4.280 ( 2.771 -5.616 0.387) 6.275 4.332 ( 3.428 -1.754 4.637) 6.027 4.361 ( 2.732 -2.612 1.010) 3.913 4.401 ( 1.138 -0.349 0.310) 1.230 4.485 ( 2.700 -6.329 -4.383) 8.158 4.572 ( -0.266 3.166 -5.557) 6.401 4.589 ( 5.696 1.234 -9.825) 11.423 4.602 ( 4.928 1.072 -4.389) 6.685 4.661 ( 0.562 -3.521 -5.006) 6.146 4.735 ( 1.465 1.806 -3.364) 4.090 4.814 ( 12.024 -6.025 -11.320) 17.579 4.971 ( 2.652 -0.583 -9.016) 9.416 4.982 ( 0.243 -2.042 -6.935) 7.233 5.106 ( -6.890 6.066 -6.873) 11.468 5.224 ( -7.575 -3.814 -8.192) 11.792 5.286 ( -2.086 11.602 -0.805) 11.815 5.357 ( 2.077 2.622 10.603) 11.118 5.411 ( 5.028 10.234 -3.614) 11.962 5.464 ( 0.982 0.157 3.222) 3.372 5.513 ( 0.539 0.938 -5.571) 5.675 5.623 ( -1.609 -5.492 -0.763) 5.774 5.817 ( 10.471 3.960 -7.923) 13.715 5.962 ( 8.131 -2.865 -3.451) 9.286 6.095 ( 7.819 -5.422 -4.255) 10.423 6.158 ( 7.186 -7.436 0.004) 10.341 6.207 ( -3.357 0.794 1.883) 3.930 6.276 ( -0.573 -4.357 0.090) 4.395 6.360 ( 2.272 6.538 -3.280) 7.659 6.477 ( 6.165 -3.896 -1.245) 7.398 6.569 ( 0.205 4.101 5.347) 6.742 6.602 ( -0.784 1.188 4.069) 4.311 6.655 ( -3.135 -1.597 3.948) 5.288 6.672 ( 1.362 -2.312 6.346) 6.890 6.870 ( 2.814 3.833 4.720) 6.700 6.894 ( -1.542 3.141 5.613) 6.615 7.027 ( -1.741 -0.151 3.914) 4.287 7.048 ( -0.909 0.696 5.011) 5.140 7.081 ( -1.104 -0.819 -1.197) 1.823 7.129 ( -3.263 -3.470 1.534) 5.004 7.159 ( 0.683 1.811 -0.942) 2.152 7.222 ( -0.342 -4.159 0.092) 4.174 7.402 ( 2.321 1.484 -2.086) 3.456 7.420 ( 2.654 -0.343 -2.523) 3.678 7.450 ( 0.209 1.803 -0.171) 1.823 7.467 ( -0.020 -1.086 -0.187) 1.103 7.562 ( 3.564 3.626 4.853) 7.029 7.633 ( 2.112 1.977 6.888) 7.471 7.646 ( 3.593 -3.332 8.301) 9.639 7.678 ( 1.854 -1.503 7.096) 7.487 7.993 ( -0.253 1.964 2.490) 3.181 7.996 ( -0.417 1.415 -0.606) 1.595 8.074 ( -0.471 -0.926 0.883) 1.363 8.093 ( -1.390 -2.159 5.312) 5.900 8.928 ( 0.509 0.920 -0.125) 1.059 8.947 ( 0.441 -0.960 0.155) 1.068 8.985 ( 0.308 0.849 0.925) 1.293 9.001 ( 0.341 -0.634 1.583) 1.739 9.400 ( 0.686 1.100 0.270) 1.324 9.422 ( 0.964 -0.948 -0.048) 1.353 9.508 ( -1.267 1.594 2.619) 3.318 9.543 ( -0.643 -1.716 3.927) 4.333 9.657 ( -3.698 0.424 -1.587) 4.046 9.667 ( -3.783 -0.520 -1.460) 4.088 9.791 ( -6.149 0.887 -2.980) 6.890 9.807 ( -6.606 -0.659 -2.137) 6.974 10.089 ( 2.774 0.530 3.790) 4.727 10.102 ( 2.470 -0.647 3.964) 4.715 10.156 ( 1.849 0.601 -3.650) 4.136 10.166 ( 1.992 -0.409 -2.885) 3.530 10.392 ( 0.310 0.534 -2.938) 3.002 10.408 ( -1.181 -0.991 -0.638) 1.668 10.501 ( 1.181 0.559 2.428) 2.758 10.510 ( 2.533 -0.258 0.940) 2.714 10.827 ( -3.496 0.443 -3.344) 4.858 10.837 ( -3.013 -0.518 -4.521) 5.457 11.242 ( -7.875 0.274 -5.318) 9.506 11.248 ( -7.176 -0.280 -6.789) 9.882 ======================= Grid point 113 (67/68) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 5.205 6.431 -12.857) 15.289 2.174 ( 0.083 -2.335 -7.533) 7.887 2.246 ( -2.207 3.056 -2.453) 4.497 2.335 ( -2.130 9.335 -9.565) 13.534 2.414 ( -6.466 4.006 -2.788) 8.101 2.425 ( -6.863 -9.054 6.246) 12.965 2.634 ( -0.698 -3.987 1.717) 4.397 2.648 ( -0.566 -6.368 -3.009) 7.066 2.796 ( -3.900 -2.842 7.756) 9.135 2.824 ( -5.577 -6.409 4.740) 9.729 2.841 ( -0.517 5.500 9.555) 11.037 2.883 ( -3.324 1.353 6.417) 7.352 3.095 ( -5.525 4.636 1.608) 7.389 3.162 ( -0.895 -2.767 3.027) 4.197 3.178 ( -4.239 -2.278 -1.306) 4.986 3.190 ( -3.610 -3.838 2.851) 5.990 3.312 ( -4.423 0.210 1.195) 4.587 3.361 ( -5.446 -2.769 -2.557) 6.623 3.444 ( -3.599 3.245 -0.204) 4.850 3.502 ( -0.302 3.777 0.619) 3.839 3.564 ( 1.240 1.630 1.992) 2.857 3.604 ( -4.012 -3.658 -0.663) 5.470 3.664 ( -3.795 3.219 -0.267) 4.983 3.723 ( 2.541 3.796 -2.226) 5.081 3.774 ( 1.797 1.953 -2.881) 3.917 3.801 ( -6.789 4.386 -6.803) 10.565 3.913 ( 2.498 -4.677 1.426) 5.490 3.989 ( -1.561 2.358 3.784) 4.724 4.071 ( 0.645 0.417 -0.651) 1.007 4.147 ( 4.038 -3.076 6.250) 8.051 4.205 ( 3.899 -3.674 -0.325) 5.367 4.252 ( -0.873 -7.282 -0.592) 7.358 4.353 ( 2.499 3.741 -4.054) 6.055 4.435 ( 1.100 -4.028 -0.862) 4.263 4.469 ( -0.725 7.110 -4.071) 8.225 4.535 ( 1.837 0.512 -1.616) 2.500 4.566 ( 2.374 -0.325 -0.355) 2.422 4.596 ( 4.891 2.498 3.685) 6.613 4.642 ( 0.736 -2.009 4.669) 5.136 4.664 ( 1.435 -3.203 -0.307) 3.523 4.711 ( -1.255 2.076 -0.914) 2.592 4.848 ( -0.232 -8.038 -9.983) 12.819 4.942 ( -1.521 -0.497 -3.994) 4.303 4.959 ( -7.511 -3.200 -11.535) 14.132 5.064 ( 10.614 0.948 -12.078) 16.107 5.084 ( 13.014 -0.241 -11.135) 17.129 5.233 ( -0.460 13.610 -2.898) 13.923 5.333 ( -2.529 6.618 -1.880) 7.330 5.409 ( -5.164 7.924 -5.958) 11.178 5.439 ( -8.721 -1.682 4.744) 10.070 5.559 ( 1.192 -5.305 5.248) 7.557 5.569 ( -2.063 -15.236 -0.202) 15.376 5.986 ( 10.728 9.413 -3.666) 14.735 6.052 ( 5.478 6.132 -4.020) 9.153 6.135 ( 2.050 7.771 2.774) 8.502 6.220 ( 2.237 -5.630 -0.204) 6.061 6.247 ( -3.803 -2.398 2.623) 5.205 6.305 ( 6.653 -11.232 0.605) 13.069 6.369 ( 0.073 3.717 -0.922) 3.830 6.504 ( -5.984 -5.491 2.427) 8.477 6.601 ( 9.206 0.266 -6.530) 11.290 6.628 ( 2.975 -1.922 -0.822) 3.636 6.691 ( -1.419 2.312 5.209) 5.873 6.739 ( -0.763 -1.933 8.468) 8.720 6.900 ( 1.297 8.895 2.037) 9.216 6.965 ( 3.541 2.337 2.031) 4.704 7.026 ( -0.851 -1.880 2.083) 2.933 7.060 ( -1.812 -3.188 4.149) 5.537 7.069 ( -1.605 -0.566 5.320) 5.586 7.096 ( 0.162 -1.804 -0.719) 1.949 7.147 ( -1.024 0.900 -1.965) 2.391 7.193 ( -2.598 -3.866 -1.402) 4.865 7.423 ( 0.454 1.441 0.251) 1.532 7.435 ( 0.894 0.395 -2.065) 2.285 7.446 ( 0.119 -0.444 -0.766) 0.893 7.456 ( -0.677 -1.592 -0.362) 1.768 7.652 ( 2.766 5.659 2.826) 6.904 7.686 ( -0.138 3.405 4.472) 5.622 7.749 ( 1.757 -1.949 3.674) 4.514 7.753 ( 2.029 -3.731 5.041) 6.591 7.994 ( 0.983 2.528 -0.915) 2.863 8.012 ( -0.412 2.920 3.489) 4.568 8.077 ( 0.952 -1.962 -0.553) 2.250 8.108 ( -1.874 -2.969 6.019) 6.968 8.945 ( 1.348 0.853 -0.070) 1.597 8.962 ( 0.978 -0.869 0.108) 1.313 8.992 ( -0.175 0.873 0.758) 1.170 9.009 ( -0.676 -0.736 1.476) 1.782 9.424 ( 1.636 1.235 -0.116) 2.053 9.447 ( 1.773 -0.958 -0.471) 2.069 9.484 ( -2.738 1.730 1.574) 3.601 9.520 ( -3.480 -1.601 1.479) 4.106 9.612 ( -1.964 -0.082 0.271) 1.984 9.616 ( -1.333 -0.547 1.156) 1.847 9.668 ( -4.321 0.733 -3.131) 5.387 9.681 ( -4.505 -0.522 -2.810) 5.335 10.142 ( 0.661 0.472 1.413) 1.630 10.154 ( 0.393 -0.053 0.492) 0.632 10.164 ( 1.012 0.092 1.323) 1.669 10.177 ( 1.004 -0.583 -0.989) 1.525 10.397 ( 1.622 0.182 -1.069) 1.951 10.402 ( 1.277 -0.145 -0.747) 1.487 10.550 ( 2.098 0.801 2.641) 3.466 10.568 ( 2.881 -0.820 0.581) 3.051 10.746 ( -2.748 0.278 -2.710) 3.869 10.752 ( -2.873 -0.305 -3.481) 4.523 11.074 ( -6.105 0.227 -4.722) 7.721 11.078 ( -5.755 -0.170 -6.272) 8.514 ======================= Grid point 114 (68/68) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 1.558 9.758 -4.344) 10.794 2.056 ( -1.558 9.758 4.344) 10.794 2.264 ( 1.115 6.486 -8.455) 10.714 2.264 ( -1.115 6.486 8.455) 10.714 2.356 ( 4.070 -8.818 -5.030) 10.938 2.356 ( -4.070 -8.818 5.030) 10.938 2.630 ( 2.198 -7.524 -4.913) 9.251 2.630 ( -2.198 -7.524 4.913) 9.251 2.789 ( 0.012 -2.535 -1.778) 3.096 2.789 ( -0.012 -2.535 1.778) 3.096 2.897 ( -0.359 -0.144 -1.876) 1.916 2.897 ( 0.359 -0.144 1.876) 1.916 3.068 ( -2.854 5.669 -2.849) 6.957 3.068 ( 2.854 5.669 2.849) 6.957 3.188 ( 0.629 -3.827 -6.297) 7.396 3.188 ( -0.629 -3.827 6.297) 7.396 3.275 ( 0.933 -1.454 -2.809) 3.298 3.275 ( -0.933 -1.454 2.809) 3.298 3.458 ( -3.735 -7.377 -6.419) 10.468 3.458 ( 3.735 -7.377 6.419) 10.468 3.567 ( -0.154 6.451 -3.168) 7.189 3.567 ( 0.154 6.451 3.168) 7.189 3.659 ( -2.606 4.223 -4.284) 6.555 3.659 ( 2.606 4.223 4.284) 6.555 3.772 ( -1.363 0.908 -2.443) 2.941 3.772 ( 1.363 0.908 2.443) 2.941 3.961 ( -1.363 -3.833 -0.431) 4.091 3.961 ( 1.363 -3.833 0.431) 4.091 4.154 ( -3.534 8.602 -4.259) 10.228 4.154 ( 3.534 8.602 4.259) 10.228 4.258 ( -0.761 -1.121 -4.328) 4.535 4.258 ( 0.761 -1.121 4.328) 4.535 4.391 ( -3.770 0.345 -2.245) 4.401 4.391 ( 3.770 0.345 2.245) 4.401 4.484 ( -0.394 -3.432 -6.524) 7.382 4.484 ( 0.394 -3.432 6.524) 7.382 4.592 ( -1.269 1.166 -3.396) 3.808 4.592 ( 1.269 1.166 3.396) 3.808 4.724 ( -2.456 1.619 -5.310) 6.070 4.724 ( 2.456 1.619 5.310) 6.070 4.751 ( -1.338 -8.419 -7.992) 11.685 4.751 ( 1.338 -8.419 7.992) 11.685 4.856 ( -3.138 -2.319 -4.400) 5.881 4.856 ( 3.138 -2.319 4.400) 5.881 5.224 ( 0.328 10.168 -3.583) 10.786 5.224 ( -0.328 10.168 3.583) 10.786 5.240 ( 8.191 5.047 -7.821) 12.399 5.240 ( -8.191 5.047 7.821) 12.399 5.303 ( 7.981 1.916 -9.304) 12.406 5.303 ( -7.981 1.916 9.304) 12.406 5.559 ( 0.545 -16.976 -1.030) 17.016 5.559 ( -0.545 -16.976 1.030) 17.016 6.090 ( 2.601 8.728 -1.761) 9.276 6.090 ( -2.601 8.728 1.761) 9.276 6.196 ( -0.607 9.821 -3.270) 10.369 6.196 ( 0.607 9.821 3.270) 10.369 6.283 ( 2.894 -5.303 -3.267) 6.869 6.283 ( -2.894 -5.303 3.267) 6.869 6.430 ( -3.800 -6.155 -0.988) 7.300 6.430 ( 3.800 -6.155 0.988) 7.300 6.661 ( 4.206 1.372 -6.180) 7.600 6.661 ( -4.206 1.372 6.180) 7.600 6.720 ( 8.763 -3.504 -10.937) 14.446 6.720 ( -8.763 -3.504 10.937) 14.446 6.970 ( 1.949 4.086 -4.519) 6.396 6.970 ( -1.949 4.086 4.519) 6.396 7.045 ( 1.304 -0.994 -2.998) 3.417 7.045 ( -1.304 -0.994 2.998) 3.417 7.102 ( -0.977 -1.155 -5.842) 6.034 7.102 ( 0.977 -1.155 5.842) 6.034 7.126 ( -0.207 -2.446 -3.200) 4.033 7.126 ( 0.207 -2.446 3.200) 4.033 7.427 ( 0.109 0.572 -1.186) 1.321 7.427 ( -0.109 0.572 1.186) 1.321 7.448 ( -0.007 -0.861 -0.317) 0.918 7.448 ( 0.007 -0.861 0.317) 0.918 7.693 ( 1.168 4.768 -2.329) 5.433 7.693 ( -1.168 4.768 2.329) 5.433 7.783 ( 0.422 -2.984 -0.713) 3.096 7.783 ( -0.422 -2.984 0.713) 3.096 8.011 ( 1.933 3.905 -2.577) 5.062 8.011 ( -1.933 3.905 2.577) 5.062 8.100 ( 2.811 -3.380 -3.727) 5.764 8.100 ( -2.811 -3.380 3.727) 5.764 8.967 ( -0.905 0.367 0.218) 1.000 8.967 ( 0.905 0.367 -0.218) 1.000 8.999 ( 0.897 -0.350 -0.525) 1.097 8.999 ( -0.897 -0.350 0.525) 1.097 9.449 ( 1.557 1.232 -1.097) 2.268 9.449 ( -1.557 1.232 1.097) 2.268 9.475 ( 2.088 -0.919 -1.053) 2.513 9.475 ( -2.088 -0.919 1.053) 2.513 9.598 ( -0.001 0.063 -1.245) 1.247 9.598 ( 0.001 0.063 1.245) 1.247 9.628 ( 0.067 -0.418 -1.740) 1.791 9.628 ( -0.067 -0.418 1.740) 1.791 10.153 ( 1.291 0.556 -2.697) 3.042 10.153 ( -1.291 0.556 2.697) 3.042 10.180 ( 1.287 -0.658 -2.927) 3.264 10.180 ( -1.287 -0.658 2.927) 3.264 10.417 ( 0.341 0.274 -1.272) 1.345 10.417 ( -0.341 0.274 1.272) 1.345 10.592 ( -0.155 -0.265 -1.795) 1.821 10.592 ( 0.155 -0.265 1.795) 1.821 10.710 ( 0.035 0.115 -0.269) 0.295 10.710 ( -0.035 0.115 0.269) 0.295 10.996 ( 0.244 -0.004 -0.839) 0.874 10.996 ( -0.244 -0.004 0.839) 0.874 =================== 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 3/20736 10.0 855.570 866.871 706.534 0.000 -229.011 0.000 3/20736 20.0 391.396 391.751 440.884 0.000 -46.958 0.000 3/20736 30.0 142.114 140.704 174.853 0.000 -11.340 0.000 3/20736 40.0 68.089 66.396 85.948 0.000 -5.283 0.000 3/20736 50.0 40.464 38.992 51.418 0.000 -3.301 0.000 3/20736 60.0 27.640 26.351 35.097 0.000 -2.364 0.000 3/20736 70.0 20.660 19.501 26.148 0.000 -1.826 0.000 3/20736 80.0 16.401 15.342 20.680 0.000 -1.482 0.000 3/20736 90.0 13.577 12.601 17.058 0.000 -1.244 0.000 3/20736 100.0 11.583 10.678 14.508 0.000 -1.071 0.000 3/20736 110.0 10.107 9.264 12.627 0.000 -0.940 0.000 3/20736 120.0 8.973 8.184 11.186 0.000 -0.837 0.000 3/20736 130.0 8.076 7.333 10.049 0.000 -0.755 0.000 3/20736 140.0 7.347 6.648 9.128 0.000 -0.687 0.000 3/20736 150.0 6.744 6.083 8.369 0.000 -0.631 0.000 3/20736 160.0 6.237 5.609 7.731 0.000 -0.583 0.000 3/20736 170.0 5.803 5.207 7.187 0.000 -0.542 0.000 3/20736 180.0 5.429 4.861 6.718 0.000 -0.506 0.000 3/20736 190.0 5.102 4.559 6.309 0.000 -0.475 0.000 3/20736 200.0 4.813 4.295 5.949 0.000 -0.448 0.000 3/20736 210.0 4.557 4.060 5.630 0.000 -0.424 0.000 3/20736 220.0 4.328 3.851 5.344 0.000 -0.402 0.000 3/20736 230.0 4.122 3.663 5.087 0.000 -0.382 0.000 3/20736 240.0 3.935 3.493 4.855 0.000 -0.365 0.000 3/20736 250.0 3.764 3.339 4.644 0.000 -0.348 0.000 3/20736 260.0 3.609 3.198 4.451 0.000 -0.334 0.000 3/20736 270.0 3.466 3.069 4.274 0.000 -0.320 0.000 3/20736 280.0 3.335 2.950 4.110 0.000 -0.308 0.000 3/20736 290.0 3.213 2.841 3.960 0.000 -0.296 0.000 3/20736 300.0 3.100 2.739 3.820 0.000 -0.286 0.000 3/20736 310.0 2.995 2.645 3.690 0.000 -0.276 0.000 3/20736 320.0 2.897 2.557 3.569 0.000 -0.267 0.000 3/20736 330.0 2.806 2.475 3.455 0.000 -0.258 0.000 3/20736 340.0 2.720 2.399 3.349 0.000 -0.250 0.000 3/20736 350.0 2.639 2.327 3.250 0.000 -0.243 0.000 3/20736 360.0 2.563 2.259 3.156 0.000 -0.235 0.000 3/20736 370.0 2.492 2.195 3.068 0.000 -0.229 0.000 3/20736 380.0 2.424 2.135 2.984 0.000 -0.222 0.000 3/20736 390.0 2.360 2.078 2.905 0.000 -0.217 0.000 3/20736 400.0 2.300 2.024 2.830 0.000 -0.211 0.000 3/20736 410.0 2.242 1.973 2.759 0.000 -0.206 0.000 3/20736 420.0 2.187 1.924 2.692 0.000 -0.200 0.000 3/20736 430.0 2.135 1.878 2.628 0.000 -0.196 0.000 3/20736 440.0 2.086 1.834 2.566 0.000 -0.191 0.000 3/20736 450.0 2.038 1.792 2.508 0.000 -0.187 0.000 3/20736 460.0 1.993 1.752 2.452 0.000 -0.182 0.000 3/20736 470.0 1.950 1.714 2.399 0.000 -0.178 0.000 3/20736 480.0 1.909 1.677 2.348 0.000 -0.175 0.000 3/20736 490.0 1.869 1.642 2.299 0.000 -0.171 0.000 3/20736 500.0 1.831 1.609 2.253 0.000 -0.167 0.000 3/20736 510.0 1.795 1.576 2.208 0.000 -0.164 0.000 3/20736 520.0 1.760 1.545 2.165 0.000 -0.161 0.000 3/20736 530.0 1.726 1.516 2.123 0.000 -0.158 0.000 3/20736 540.0 1.694 1.487 2.083 0.000 -0.155 0.000 3/20736 550.0 1.663 1.460 2.045 0.000 -0.152 0.000 3/20736 560.0 1.633 1.433 2.008 0.000 -0.149 0.000 3/20736 570.0 1.604 1.407 1.972 0.000 -0.146 0.000 3/20736 580.0 1.576 1.383 1.938 0.000 -0.144 0.000 3/20736 590.0 1.549 1.359 1.905 0.000 -0.141 0.000 3/20736 600.0 1.523 1.336 1.873 0.000 -0.139 0.000 3/20736 610.0 1.498 1.314 1.842 0.000 -0.137 0.000 3/20736 620.0 1.473 1.292 1.812 0.000 -0.134 0.000 3/20736 630.0 1.450 1.272 1.783 0.000 -0.132 0.000 3/20736 640.0 1.427 1.251 1.755 0.000 -0.130 0.000 3/20736 650.0 1.405 1.232 1.727 0.000 -0.128 0.000 3/20736 660.0 1.383 1.213 1.701 0.000 -0.126 0.000 3/20736 670.0 1.363 1.195 1.675 0.000 -0.124 0.000 3/20736 680.0 1.342 1.177 1.651 0.000 -0.122 0.000 3/20736 690.0 1.323 1.160 1.626 0.000 -0.121 0.000 3/20736 700.0 1.304 1.143 1.603 0.000 -0.119 0.000 3/20736 710.0 1.285 1.127 1.580 0.000 -0.117 0.000 3/20736 720.0 1.267 1.111 1.558 0.000 -0.116 0.000 3/20736 730.0 1.250 1.096 1.537 0.000 -0.114 0.000 3/20736 740.0 1.233 1.081 1.516 0.000 -0.112 0.000 3/20736 750.0 1.217 1.066 1.496 0.000 -0.111 0.000 3/20736 760.0 1.200 1.052 1.476 0.000 -0.109 0.000 3/20736 770.0 1.185 1.038 1.457 0.000 -0.108 0.000 3/20736 780.0 1.170 1.025 1.438 0.000 -0.107 0.000 3/20736 790.0 1.155 1.012 1.419 0.000 -0.105 0.000 3/20736 800.0 1.140 0.999 1.402 0.000 -0.104 0.000 3/20736 810.0 1.126 0.987 1.384 0.000 -0.103 0.000 3/20736 820.0 1.112 0.975 1.367 0.000 -0.101 0.000 3/20736 830.0 1.099 0.963 1.351 0.000 -0.100 0.000 3/20736 840.0 1.086 0.951 1.335 0.000 -0.099 0.000 3/20736 850.0 1.073 0.940 1.319 0.000 -0.098 0.000 3/20736 860.0 1.060 0.929 1.304 0.000 -0.097 0.000 3/20736 870.0 1.048 0.918 1.288 0.000 -0.096 0.000 3/20736 880.0 1.036 0.908 1.274 0.000 -0.094 0.000 3/20736 890.0 1.025 0.897 1.259 0.000 -0.093 0.000 3/20736 900.0 1.013 0.887 1.245 0.000 -0.092 0.000 3/20736 910.0 1.002 0.878 1.232 0.000 -0.091 0.000 3/20736 920.0 0.991 0.868 1.218 0.000 -0.090 0.000 3/20736 930.0 0.980 0.859 1.205 0.000 -0.089 0.000 3/20736 940.0 0.970 0.850 1.192 0.000 -0.088 0.000 3/20736 950.0 0.960 0.841 1.180 0.000 -0.087 0.000 3/20736 960.0 0.950 0.832 1.167 0.000 -0.087 0.000 3/20736 970.0 0.940 0.823 1.155 0.000 -0.086 0.000 3/20736 980.0 0.930 0.815 1.144 0.000 -0.085 0.000 3/20736 990.0 0.921 0.806 1.132 0.000 -0.084 0.000 3/20736 1000.0 0.912 0.798 1.121 0.000 -0.083 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m838.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:07:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|