----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:12:19]------------------------- 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: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.697618530171715 -4.991617280000000 0.000000000000000 b 5.697618530171715 4.991617280000000 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): *1 Ho 0.39195554188099 0.24713067179570 0.61310080060282 164.930 *2 Ho 0.21141234415871 0.93604232181425 0.12268464555715 164.930 3 Ho 0.06395767818575 0.78858765584129 0.37731535444285 164.930 *4 Ho 0.02160568665491 0.33899427281268 0.38201288627151 164.930 5 Ho 0.78858765584129 0.06395767818575 0.87731535444285 164.930 6 Ho 0.75286932820430 0.60804445811901 0.88689919939718 164.930 7 Ho 0.93604232181425 0.21141234415871 0.62268464555715 164.930 8 Ho 0.24713067179570 0.39195554188099 0.11310080060282 164.930 9 Ho 0.66100572718732 0.97839431334509 0.11798711372849 164.930 10 Ho 0.60804445811901 0.75286932820430 0.38689919939718 164.930 11 Ho 0.33899427281268 0.02160568665491 0.88201288627151 164.930 12 Ho 0.97839431334509 0.66100572718732 0.61798711372849 164.930 *13 Se 0.78005878349313 0.07372923157712 0.37356327232520 78.960 *14 Se 0.49610148697852 0.66431137752081 0.13940638169237 78.960 15 Se 0.66431137752081 0.49610148697852 0.63940638169237 78.960 *16 Se 0.04280916969345 0.30898545795658 0.87181344321814 78.960 17 Se 0.07372923157712 0.78005878349313 0.87356327232520 78.960 18 Se 0.21994121650687 0.92627076842288 0.62643672767480 78.960 19 Se 0.69101454204342 0.95719083030655 0.62818655678186 78.960 20 Se 0.92627076842288 0.21994121650687 0.12643672767480 78.960 21 Se 0.95719083030655 0.69101454204342 0.12818655678186 78.960 22 Se 0.50389851302148 0.33568862247919 0.86059361830763 78.960 23 Se 0.30898545795658 0.04280916969345 0.37181344321814 78.960 24 Se 0.33568862247919 0.50389851302148 0.36059361830763 78.960 *25 N 0.62495002121177 0.89070947010280 0.92410676617619 14.007 26 N 0.10929052989720 0.37504997878823 0.57589323382381 14.007 27 N 0.89070947010280 0.62495002121177 0.42410676617619 14.007 28 N 0.37504997878823 0.10929052989720 0.07589323382381 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.395237060343430 0.000000000000000 0.000000000000000 b 0.000000000000000 9.983234560000000 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): *1 Ho 0.81954310683834 0.42758756495736 0.61310080060282 164.930 > 1 *2 Ho 0.07372733298648 0.86231498882777 0.12268464555715 164.930 > 2 3 Ho 0.92627266701352 0.86231498882777 0.37731535444285 164.930 > 3 *4 Ho 0.68029997973379 0.65869429307889 0.38201288627151 164.930 > 4 5 Ho 0.92627266701352 0.13768501117223 0.87731535444285 164.930 > 5 6 Ho 0.18045689316166 0.42758756495736 0.88689919939718 164.930 > 6 7 Ho 0.07372733298648 0.13768501117223 0.62268464555715 164.930 > 7 8 Ho 0.81954310683834 0.57241243504265 0.11310080060282 164.930 > 8 9 Ho 0.31970002026620 0.65869429307889 0.11798711372849 164.930 > 9 10 Ho 0.18045689316166 0.57241243504265 0.38689919939718 164.930 > 10 11 Ho 0.68029997973379 0.34130570692112 0.88201288627151 164.930 > 11 12 Ho 0.31970002026620 0.34130570692112 0.61798711372849 164.930 > 12 13 Ho 0.31954310683835 0.92758756495735 0.61310080060282 164.930 > 1 14 Ho 0.57372733298648 0.36231498882777 0.12268464555715 164.930 > 2 15 Ho 0.42627266701352 0.36231498882777 0.37731535444285 164.930 > 3 16 Ho 0.18029997973379 0.15869429307888 0.38201288627151 164.930 > 4 17 Ho 0.42627266701352 0.63768501117223 0.87731535444285 164.930 > 5 18 Ho 0.68045689316166 0.92758756495735 0.88689919939718 164.930 > 6 19 Ho 0.57372733298648 0.63768501117223 0.62268464555715 164.930 > 7 20 Ho 0.31954310683835 0.07241243504264 0.11310080060282 164.930 > 8 21 Ho 0.81970002026621 0.15869429307888 0.11798711372849 164.930 > 9 22 Ho 0.68045689316166 0.07241243504264 0.38689919939718 164.930 > 10 23 Ho 0.18029997973379 0.84130570692111 0.88201288627151 164.930 > 11 24 Ho 0.81970002026621 0.84130570692111 0.61798711372849 164.930 > 12 *25 Se 0.92689400753512 0.14683522404200 0.37356327232520 78.960 > 13 *26 Se 0.08020643224966 0.58410494527115 0.13940638169237 78.960 > 14 27 Se 0.08020643224966 0.41589505472885 0.63940638169237 78.960 > 15 *28 Se 0.67589731382502 0.63308814413156 0.87181344321814 78.960 > 16 29 Se 0.92689400753512 0.85316477595800 0.87356327232520 78.960 > 17 30 Se 0.07310599246488 0.85316477595800 0.62643672767480 78.960 > 18 31 Se 0.32410268617498 0.63308814413156 0.62818655678186 78.960 > 19 32 Se 0.07310599246488 0.14683522404200 0.12643672767480 78.960 > 20 33 Se 0.32410268617498 0.36691185586844 0.12818655678186 78.960 > 21 34 Se 0.91979356775034 0.41589505472885 0.86059361830763 78.960 > 22 35 Se 0.67589731382502 0.36691185586844 0.37181344321814 78.960 > 23 36 Se 0.91979356775034 0.58410494527115 0.36059361830763 78.960 > 24 37 Se 0.42689400753512 0.64683522404200 0.37356327232520 78.960 > 13 38 Se 0.58020643224966 0.08410494527115 0.13940638169237 78.960 > 14 39 Se 0.58020643224966 0.91589505472885 0.63940638169237 78.960 > 15 40 Se 0.17589731382502 0.13308814413156 0.87181344321814 78.960 > 16 41 Se 0.42689400753512 0.35316477595800 0.87356327232520 78.960 > 17 42 Se 0.57310599246488 0.35316477595800 0.62643672767480 78.960 > 18 43 Se 0.82410268617498 0.13308814413156 0.62818655678186 78.960 > 19 44 Se 0.57310599246488 0.64683522404200 0.12643672767480 78.960 > 20 45 Se 0.82410268617498 0.86691185586844 0.12818655678186 78.960 > 21 46 Se 0.41979356775034 0.91589505472885 0.86059361830763 78.960 > 22 47 Se 0.17589731382502 0.86691185586844 0.37181344321814 78.960 > 23 48 Se 0.41979356775034 0.08410494527115 0.36059361830763 78.960 > 24 *49 N 0.25782974565729 0.63287972444552 0.92410676617619 14.007 > 25 50 N 0.74217025434271 0.63287972444552 0.57589323382381 14.007 > 26 51 N 0.25782974565729 0.36712027555448 0.42410676617619 14.007 > 27 52 N 0.74217025434271 0.36712027555448 0.07589323382381 14.007 > 28 53 N 0.75782974565729 0.13287972444552 0.92410676617619 14.007 > 25 54 N 0.24217025434271 0.13287972444552 0.57589323382381 14.007 > 26 55 N 0.75782974565729 0.86712027555448 0.42410676617619 14.007 > 27 56 N 0.24217025434271 0.86712027555448 0.07589323382381 14.007 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.395237060343430 0.000000000000000 0.000000000000000 b 0.000000000000000 19.966469119999999 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): *1 Ho 0.81954310683834 0.21379378247868 0.61310080060282 164.930 > 1 2 Ho 0.81954310683834 0.71379378247868 0.61310080060282 164.930 > 1 *3 Ho 0.07372733298648 0.43115749441389 0.12268464555715 164.930 > 2 4 Ho 0.07372733298648 0.93115749441389 0.12268464555715 164.930 > 2 5 Ho 0.92627266701352 0.43115749441389 0.37731535444285 164.930 > 3 6 Ho 0.92627266701352 0.93115749441389 0.37731535444285 164.930 > 3 *7 Ho 0.68029997973379 0.32934714653944 0.38201288627151 164.930 > 4 8 Ho 0.68029997973379 0.82934714653944 0.38201288627151 164.930 > 4 9 Ho 0.92627266701352 0.06884250558611 0.87731535444285 164.930 > 5 10 Ho 0.92627266701352 0.56884250558611 0.87731535444285 164.930 > 5 11 Ho 0.18045689316166 0.21379378247868 0.88689919939718 164.930 > 6 12 Ho 0.18045689316166 0.71379378247868 0.88689919939718 164.930 > 6 13 Ho 0.07372733298648 0.06884250558611 0.62268464555715 164.930 > 7 14 Ho 0.07372733298648 0.56884250558611 0.62268464555715 164.930 > 7 15 Ho 0.81954310683834 0.28620621752132 0.11310080060282 164.930 > 8 16 Ho 0.81954310683834 0.78620621752132 0.11310080060282 164.930 > 8 17 Ho 0.31970002026620 0.32934714653944 0.11798711372849 164.930 > 9 18 Ho 0.31970002026620 0.82934714653944 0.11798711372849 164.930 > 9 19 Ho 0.18045689316166 0.28620621752132 0.38689919939718 164.930 > 10 20 Ho 0.18045689316166 0.78620621752132 0.38689919939718 164.930 > 10 21 Ho 0.68029997973379 0.17065285346056 0.88201288627151 164.930 > 11 22 Ho 0.68029997973379 0.67065285346056 0.88201288627151 164.930 > 11 23 Ho 0.31970002026620 0.17065285346056 0.61798711372849 164.930 > 12 24 Ho 0.31970002026620 0.67065285346056 0.61798711372849 164.930 > 12 25 Ho 0.31954310683835 0.46379378247868 0.61310080060282 164.930 > 1 26 Ho 0.31954310683835 0.96379378247868 0.61310080060282 164.930 > 1 27 Ho 0.57372733298648 0.18115749441389 0.12268464555715 164.930 > 2 28 Ho 0.57372733298648 0.68115749441389 0.12268464555715 164.930 > 2 29 Ho 0.42627266701352 0.18115749441389 0.37731535444285 164.930 > 3 30 Ho 0.42627266701352 0.68115749441389 0.37731535444285 164.930 > 3 31 Ho 0.18029997973379 0.07934714653944 0.38201288627151 164.930 > 4 32 Ho 0.18029997973379 0.57934714653944 0.38201288627151 164.930 > 4 33 Ho 0.42627266701352 0.31884250558611 0.87731535444285 164.930 > 5 34 Ho 0.42627266701352 0.81884250558611 0.87731535444285 164.930 > 5 35 Ho 0.68045689316166 0.46379378247868 0.88689919939718 164.930 > 6 36 Ho 0.68045689316166 0.96379378247868 0.88689919939718 164.930 > 6 37 Ho 0.57372733298648 0.31884250558611 0.62268464555715 164.930 > 7 38 Ho 0.57372733298648 0.81884250558611 0.62268464555715 164.930 > 7 39 Ho 0.31954310683835 0.03620621752132 0.11310080060282 164.930 > 8 40 Ho 0.31954310683835 0.53620621752132 0.11310080060282 164.930 > 8 41 Ho 0.81970002026621 0.07934714653944 0.11798711372849 164.930 > 9 42 Ho 0.81970002026621 0.57934714653944 0.11798711372849 164.930 > 9 43 Ho 0.68045689316166 0.03620621752132 0.38689919939718 164.930 > 10 44 Ho 0.68045689316166 0.53620621752132 0.38689919939718 164.930 > 10 45 Ho 0.18029997973379 0.42065285346056 0.88201288627151 164.930 > 11 46 Ho 0.18029997973379 0.92065285346056 0.88201288627151 164.930 > 11 47 Ho 0.81970002026621 0.42065285346056 0.61798711372849 164.930 > 12 48 Ho 0.81970002026621 0.92065285346056 0.61798711372849 164.930 > 12 *49 Se 0.92689400753512 0.07341761202100 0.37356327232520 78.960 > 13 50 Se 0.92689400753512 0.57341761202100 0.37356327232520 78.960 > 13 *51 Se 0.08020643224966 0.29205247263557 0.13940638169237 78.960 > 14 52 Se 0.08020643224966 0.79205247263557 0.13940638169237 78.960 > 14 53 Se 0.08020643224966 0.20794752736443 0.63940638169237 78.960 > 15 54 Se 0.08020643224966 0.70794752736443 0.63940638169237 78.960 > 15 *55 Se 0.67589731382502 0.31654407206578 0.87181344321814 78.960 > 16 56 Se 0.67589731382502 0.81654407206578 0.87181344321814 78.960 > 16 57 Se 0.92689400753512 0.42658238797900 0.87356327232520 78.960 > 17 58 Se 0.92689400753512 0.92658238797900 0.87356327232520 78.960 > 17 59 Se 0.07310599246488 0.42658238797900 0.62643672767480 78.960 > 18 60 Se 0.07310599246488 0.92658238797900 0.62643672767480 78.960 > 18 61 Se 0.32410268617498 0.31654407206578 0.62818655678186 78.960 > 19 62 Se 0.32410268617498 0.81654407206578 0.62818655678186 78.960 > 19 63 Se 0.07310599246488 0.07341761202100 0.12643672767480 78.960 > 20 64 Se 0.07310599246488 0.57341761202100 0.12643672767480 78.960 > 20 65 Se 0.32410268617498 0.18345592793422 0.12818655678186 78.960 > 21 66 Se 0.32410268617498 0.68345592793422 0.12818655678186 78.960 > 21 67 Se 0.91979356775034 0.20794752736443 0.86059361830763 78.960 > 22 68 Se 0.91979356775034 0.70794752736443 0.86059361830763 78.960 > 22 69 Se 0.67589731382502 0.18345592793422 0.37181344321814 78.960 > 23 70 Se 0.67589731382502 0.68345592793422 0.37181344321814 78.960 > 23 71 Se 0.91979356775034 0.29205247263557 0.36059361830763 78.960 > 24 72 Se 0.91979356775034 0.79205247263557 0.36059361830763 78.960 > 24 73 Se 0.42689400753512 0.32341761202100 0.37356327232520 78.960 > 13 74 Se 0.42689400753512 0.82341761202100 0.37356327232520 78.960 > 13 75 Se 0.58020643224966 0.04205247263557 0.13940638169237 78.960 > 14 76 Se 0.58020643224966 0.54205247263557 0.13940638169237 78.960 > 14 77 Se 0.58020643224966 0.45794752736443 0.63940638169237 78.960 > 15 78 Se 0.58020643224966 0.95794752736443 0.63940638169237 78.960 > 15 79 Se 0.17589731382502 0.06654407206578 0.87181344321814 78.960 > 16 80 Se 0.17589731382502 0.56654407206578 0.87181344321814 78.960 > 16 81 Se 0.42689400753512 0.17658238797900 0.87356327232520 78.960 > 17 82 Se 0.42689400753512 0.67658238797900 0.87356327232520 78.960 > 17 83 Se 0.57310599246488 0.17658238797900 0.62643672767480 78.960 > 18 84 Se 0.57310599246488 0.67658238797900 0.62643672767480 78.960 > 18 85 Se 0.82410268617498 0.06654407206578 0.62818655678186 78.960 > 19 86 Se 0.82410268617498 0.56654407206578 0.62818655678186 78.960 > 19 87 Se 0.57310599246488 0.32341761202100 0.12643672767480 78.960 > 20 88 Se 0.57310599246488 0.82341761202100 0.12643672767480 78.960 > 20 89 Se 0.82410268617498 0.43345592793422 0.12818655678186 78.960 > 21 90 Se 0.82410268617498 0.93345592793422 0.12818655678186 78.960 > 21 91 Se 0.41979356775034 0.45794752736443 0.86059361830763 78.960 > 22 92 Se 0.41979356775034 0.95794752736443 0.86059361830763 78.960 > 22 93 Se 0.17589731382502 0.43345592793422 0.37181344321814 78.960 > 23 94 Se 0.17589731382502 0.93345592793422 0.37181344321814 78.960 > 23 95 Se 0.41979356775034 0.04205247263557 0.36059361830763 78.960 > 24 96 Se 0.41979356775034 0.54205247263557 0.36059361830763 78.960 > 24 *97 N 0.25782974565729 0.31643986222276 0.92410676617619 14.007 > 25 98 N 0.25782974565729 0.81643986222276 0.92410676617619 14.007 > 25 99 N 0.74217025434271 0.31643986222276 0.57589323382381 14.007 > 26 100 N 0.74217025434271 0.81643986222276 0.57589323382381 14.007 > 26 101 N 0.25782974565729 0.18356013777724 0.42410676617619 14.007 > 27 102 N 0.25782974565729 0.68356013777724 0.42410676617619 14.007 > 27 103 N 0.74217025434271 0.18356013777724 0.07589323382381 14.007 > 28 104 N 0.74217025434271 0.68356013777724 0.07589323382381 14.007 > 28 105 N 0.75782974565729 0.06643986222276 0.92410676617619 14.007 > 25 106 N 0.75782974565729 0.56643986222276 0.92410676617619 14.007 > 25 107 N 0.24217025434271 0.06643986222276 0.57589323382381 14.007 > 26 108 N 0.24217025434271 0.56643986222276 0.57589323382381 14.007 > 26 109 N 0.75782974565729 0.43356013777724 0.42410676617619 14.007 > 27 110 N 0.75782974565729 0.93356013777724 0.42410676617619 14.007 > 27 111 N 0.24217025434271 0.43356013777724 0.07589323382381 14.007 > 28 112 N 0.24217025434271 0.93356013777724 0.07589323382381 14.007 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1036534 0.0000000 -0.1911934 0.0000000 7.5082298 0.0000000 -0.1911778 0.0000000 8.1116663 -------------------------- Born effective charges -------------------------- 1 Ho 4.1581200 -0.7244652 0.5028624 -0.9872977 3.8424801 -0.8445949 0.5971620 -0.5867193 3.9696085 2 Ho 3.5085439 -0.0402496 -0.3790652 0.0840710 3.2716314 -0.3327966 -0.5260727 -0.3349623 4.0869527 3 Ho 3.5085439 0.0402496 -0.3790652 -0.0840710 3.2716314 0.3327966 -0.5260727 0.3349623 4.0869527 4 Ho 3.8907663 0.8151987 -0.3803295 1.0828411 3.8868107 0.5487435 -0.3154207 0.4414352 3.8455829 5 Ho 3.5085439 -0.0402496 -0.3790652 0.0840710 3.2716314 -0.3327966 -0.5260727 -0.3349623 4.0869527 6 Ho 4.1581200 0.7244652 0.5028624 0.9872977 3.8424801 0.8445949 0.5971620 0.5867193 3.9696085 7 Ho 3.5085439 0.0402496 -0.3790652 -0.0840710 3.2716314 0.3327966 -0.5260727 0.3349623 4.0869527 8 Ho 4.1581200 0.7244652 0.5028624 0.9872977 3.8424801 0.8445949 0.5971620 0.5867193 3.9696085 9 Ho 3.8907663 -0.8151987 -0.3803295 -1.0828411 3.8868107 -0.5487435 -0.3154207 -0.4414352 3.8455829 10 Ho 4.1581200 -0.7244652 0.5028624 -0.9872977 3.8424801 -0.8445949 0.5971620 -0.5867193 3.9696085 11 Ho 3.8907663 -0.8151987 -0.3803295 -1.0828411 3.8868107 -0.5487435 -0.3154207 -0.4414352 3.8455829 12 Ho 3.8907663 0.8151987 -0.3803295 1.0828411 3.8868107 0.5487435 -0.3154207 0.4414352 3.8455829 13 Se -2.7996470 -0.3743198 -0.0537983 -0.0907780 -1.6143230 -0.0098122 -0.0687912 0.0074273 -2.9693808 14 Se -3.2921991 -0.2533301 -0.0841746 -0.0481690 -1.9410258 0.1885785 -0.1811453 0.2368255 -2.2386614 15 Se -3.2921991 0.2533301 -0.0841746 0.0481690 -1.9410258 -0.1885785 -0.1811453 -0.2368255 -2.2386614 16 Se -1.9216708 0.0845478 -0.0512640 0.0405900 -2.7396300 0.0113230 0.0144623 0.0614899 -3.2509022 17 Se -2.7996470 0.3743198 -0.0537983 0.0907780 -1.6143230 0.0098122 -0.0687912 -0.0074273 -2.9693808 18 Se -2.7996470 -0.3743198 -0.0537983 -0.0907780 -1.6143230 -0.0098122 -0.0687912 0.0074273 -2.9693808 19 Se -1.9216708 -0.0845478 -0.0512640 -0.0405900 -2.7396300 -0.0113230 0.0144623 -0.0614899 -3.2509022 20 Se -2.7996470 0.3743198 -0.0537983 0.0907780 -1.6143230 0.0098122 -0.0687912 -0.0074273 -2.9693808 21 Se -1.9216708 0.0845478 -0.0512640 0.0405900 -2.7396300 0.0113230 0.0144623 0.0614899 -3.2509022 22 Se -3.2921991 -0.2533301 -0.0841746 -0.0481690 -1.9410258 0.1885785 -0.1811453 0.2368255 -2.2386614 23 Se -1.9216708 -0.0845478 -0.0512640 -0.0405900 -2.7396300 -0.0113230 0.0144623 -0.0614899 -3.2509022 24 Se -3.2921991 0.2533301 -0.0841746 0.0481690 -1.9410258 -0.1885785 -0.1811453 -0.2368255 -2.2386614 25 N -3.5439132 -0.0365691 0.4457693 -0.0417333 -4.7059433 -0.0176465 0.4798057 -0.1313534 -3.4431998 26 N -3.5439132 0.0365691 0.4457693 0.0417333 -4.7059433 0.0176465 0.4798057 0.1313534 -3.4431998 27 N -3.5439132 0.0365691 0.4457693 0.0417333 -4.7059433 0.0176465 0.4798057 0.1313534 -3.4431998 28 N -3.5439132 -0.0365691 0.4457693 -0.0417333 -4.7059433 -0.0176465 0.4798057 -0.1313534 -3.4431998 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.040 Solver_block: 200 / 880 - Time: 0.981 Solver_block: 300 / 880 - Time: 0.973 Solver_block: 400 / 880 - Time: 0.980 Solver_block: 500 / 880 - Time: 0.982 Solver_block: 600 / 880 - Time: 0.992 Solver_block: 700 / 880 - Time: 0.982 Solver_block: 800 / 880 - Time: 0.985 Solver_block: 880 / 880 - Time: 0.822 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.907 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 20:13:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:13:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.697618530171715 -4.991617280000000 0.000000000000000 b 5.697618530171715 4.991617280000000 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): 1 Ho 0.39195554188099 0.24713067179570 0.61310080060282 164.930 2 Ho 0.21141234415871 0.93604232181425 0.12268464555715 164.930 3 Ho 0.06395767818575 0.78858765584129 0.37731535444285 164.930 4 Ho 0.02160568665491 0.33899427281268 0.38201288627151 164.930 5 Ho 0.78858765584129 0.06395767818575 0.87731535444285 164.930 6 Ho 0.75286932820430 0.60804445811901 0.88689919939718 164.930 7 Ho 0.93604232181425 0.21141234415871 0.62268464555715 164.930 8 Ho 0.24713067179570 0.39195554188099 0.11310080060282 164.930 9 Ho 0.66100572718732 0.97839431334509 0.11798711372849 164.930 10 Ho 0.60804445811901 0.75286932820430 0.38689919939718 164.930 11 Ho 0.33899427281268 0.02160568665491 0.88201288627151 164.930 12 Ho 0.97839431334509 0.66100572718732 0.61798711372849 164.930 13 Se 0.78005878349313 0.07372923157712 0.37356327232520 78.960 14 Se 0.49610148697852 0.66431137752081 0.13940638169237 78.960 15 Se 0.66431137752081 0.49610148697852 0.63940638169237 78.960 16 Se 0.04280916969345 0.30898545795658 0.87181344321814 78.960 17 Se 0.07372923157712 0.78005878349313 0.87356327232520 78.960 18 Se 0.21994121650687 0.92627076842288 0.62643672767480 78.960 19 Se 0.69101454204342 0.95719083030655 0.62818655678186 78.960 20 Se 0.92627076842288 0.21994121650687 0.12643672767480 78.960 21 Se 0.95719083030655 0.69101454204342 0.12818655678186 78.960 22 Se 0.50389851302148 0.33568862247919 0.86059361830763 78.960 23 Se 0.30898545795658 0.04280916969345 0.37181344321814 78.960 24 Se 0.33568862247919 0.50389851302148 0.36059361830763 78.960 25 N 0.62495002121177 0.89070947010280 0.92410676617619 14.007 26 N 0.10929052989720 0.37504997878823 0.57589323382381 14.007 27 N 0.89070947010280 0.62495002121177 0.42410676617619 14.007 28 N 0.37504997878823 0.10929052989720 0.07589323382381 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.395237060343430 0.000000000000000 0.000000000000000 b 0.000000000000000 19.966469119999999 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): 1 Ho 0.81954310683834 0.21379378247868 0.61310080060282 164.930 > 1 2 Ho 0.81954310683834 0.71379378247868 0.61310080060282 164.930 > 1 3 Ho 0.07372733298648 0.43115749441389 0.12268464555715 164.930 > 3 4 Ho 0.07372733298648 0.93115749441389 0.12268464555715 164.930 > 3 5 Ho 0.92627266701352 0.43115749441389 0.37731535444285 164.930 > 5 6 Ho 0.92627266701352 0.93115749441389 0.37731535444285 164.930 > 5 7 Ho 0.68029997973379 0.32934714653944 0.38201288627151 164.930 > 7 8 Ho 0.68029997973379 0.82934714653944 0.38201288627151 164.930 > 7 9 Ho 0.92627266701352 0.06884250558611 0.87731535444285 164.930 > 9 10 Ho 0.92627266701352 0.56884250558611 0.87731535444285 164.930 > 9 11 Ho 0.18045689316166 0.21379378247868 0.88689919939718 164.930 > 11 12 Ho 0.18045689316166 0.71379378247868 0.88689919939718 164.930 > 11 13 Ho 0.07372733298648 0.06884250558611 0.62268464555715 164.930 > 13 14 Ho 0.07372733298648 0.56884250558611 0.62268464555715 164.930 > 13 15 Ho 0.81954310683834 0.28620621752132 0.11310080060282 164.930 > 15 16 Ho 0.81954310683834 0.78620621752132 0.11310080060282 164.930 > 15 17 Ho 0.31970002026620 0.32934714653944 0.11798711372849 164.930 > 17 18 Ho 0.31970002026620 0.82934714653944 0.11798711372849 164.930 > 17 19 Ho 0.18045689316166 0.28620621752132 0.38689919939718 164.930 > 19 20 Ho 0.18045689316166 0.78620621752132 0.38689919939718 164.930 > 19 21 Ho 0.68029997973379 0.17065285346056 0.88201288627151 164.930 > 21 22 Ho 0.68029997973379 0.67065285346056 0.88201288627151 164.930 > 21 23 Ho 0.31970002026620 0.17065285346056 0.61798711372849 164.930 > 23 24 Ho 0.31970002026620 0.67065285346056 0.61798711372849 164.930 > 23 25 Ho 0.31954310683835 0.46379378247868 0.61310080060282 164.930 > 1 26 Ho 0.31954310683835 0.96379378247868 0.61310080060282 164.930 > 1 27 Ho 0.57372733298648 0.18115749441389 0.12268464555715 164.930 > 3 28 Ho 0.57372733298648 0.68115749441389 0.12268464555715 164.930 > 3 29 Ho 0.42627266701352 0.18115749441389 0.37731535444285 164.930 > 5 30 Ho 0.42627266701352 0.68115749441389 0.37731535444285 164.930 > 5 31 Ho 0.18029997973379 0.07934714653944 0.38201288627151 164.930 > 7 32 Ho 0.18029997973379 0.57934714653944 0.38201288627151 164.930 > 7 33 Ho 0.42627266701352 0.31884250558611 0.87731535444285 164.930 > 9 34 Ho 0.42627266701352 0.81884250558611 0.87731535444285 164.930 > 9 35 Ho 0.68045689316166 0.46379378247868 0.88689919939718 164.930 > 11 36 Ho 0.68045689316166 0.96379378247868 0.88689919939718 164.930 > 11 37 Ho 0.57372733298648 0.31884250558611 0.62268464555715 164.930 > 13 38 Ho 0.57372733298648 0.81884250558611 0.62268464555715 164.930 > 13 39 Ho 0.31954310683835 0.03620621752132 0.11310080060282 164.930 > 15 40 Ho 0.31954310683835 0.53620621752132 0.11310080060282 164.930 > 15 41 Ho 0.81970002026621 0.07934714653944 0.11798711372849 164.930 > 17 42 Ho 0.81970002026621 0.57934714653944 0.11798711372849 164.930 > 17 43 Ho 0.68045689316166 0.03620621752132 0.38689919939718 164.930 > 19 44 Ho 0.68045689316166 0.53620621752132 0.38689919939718 164.930 > 19 45 Ho 0.18029997973379 0.42065285346056 0.88201288627151 164.930 > 21 46 Ho 0.18029997973379 0.92065285346056 0.88201288627151 164.930 > 21 47 Ho 0.81970002026621 0.42065285346056 0.61798711372849 164.930 > 23 48 Ho 0.81970002026621 0.92065285346056 0.61798711372849 164.930 > 23 49 Se 0.92689400753512 0.07341761202100 0.37356327232520 78.960 > 49 50 Se 0.92689400753512 0.57341761202100 0.37356327232520 78.960 > 49 51 Se 0.08020643224966 0.29205247263557 0.13940638169237 78.960 > 51 52 Se 0.08020643224966 0.79205247263557 0.13940638169237 78.960 > 51 53 Se 0.08020643224966 0.20794752736443 0.63940638169237 78.960 > 53 54 Se 0.08020643224966 0.70794752736443 0.63940638169237 78.960 > 53 55 Se 0.67589731382502 0.31654407206578 0.87181344321814 78.960 > 55 56 Se 0.67589731382502 0.81654407206578 0.87181344321814 78.960 > 55 57 Se 0.92689400753512 0.42658238797900 0.87356327232520 78.960 > 57 58 Se 0.92689400753512 0.92658238797900 0.87356327232520 78.960 > 57 59 Se 0.07310599246488 0.42658238797900 0.62643672767480 78.960 > 59 60 Se 0.07310599246488 0.92658238797900 0.62643672767480 78.960 > 59 61 Se 0.32410268617498 0.31654407206578 0.62818655678186 78.960 > 61 62 Se 0.32410268617498 0.81654407206578 0.62818655678186 78.960 > 61 63 Se 0.07310599246488 0.07341761202100 0.12643672767480 78.960 > 63 64 Se 0.07310599246488 0.57341761202100 0.12643672767480 78.960 > 63 65 Se 0.32410268617498 0.18345592793422 0.12818655678186 78.960 > 65 66 Se 0.32410268617498 0.68345592793422 0.12818655678186 78.960 > 65 67 Se 0.91979356775034 0.20794752736443 0.86059361830763 78.960 > 67 68 Se 0.91979356775034 0.70794752736443 0.86059361830763 78.960 > 67 69 Se 0.67589731382502 0.18345592793422 0.37181344321814 78.960 > 69 70 Se 0.67589731382502 0.68345592793422 0.37181344321814 78.960 > 69 71 Se 0.91979356775034 0.29205247263557 0.36059361830763 78.960 > 71 72 Se 0.91979356775034 0.79205247263557 0.36059361830763 78.960 > 71 73 Se 0.42689400753512 0.32341761202100 0.37356327232520 78.960 > 49 74 Se 0.42689400753512 0.82341761202100 0.37356327232520 78.960 > 49 75 Se 0.58020643224966 0.04205247263557 0.13940638169237 78.960 > 51 76 Se 0.58020643224966 0.54205247263557 0.13940638169237 78.960 > 51 77 Se 0.58020643224966 0.45794752736443 0.63940638169237 78.960 > 53 78 Se 0.58020643224966 0.95794752736443 0.63940638169237 78.960 > 53 79 Se 0.17589731382502 0.06654407206578 0.87181344321814 78.960 > 55 80 Se 0.17589731382502 0.56654407206578 0.87181344321814 78.960 > 55 81 Se 0.42689400753512 0.17658238797900 0.87356327232520 78.960 > 57 82 Se 0.42689400753512 0.67658238797900 0.87356327232520 78.960 > 57 83 Se 0.57310599246488 0.17658238797900 0.62643672767480 78.960 > 59 84 Se 0.57310599246488 0.67658238797900 0.62643672767480 78.960 > 59 85 Se 0.82410268617498 0.06654407206578 0.62818655678186 78.960 > 61 86 Se 0.82410268617498 0.56654407206578 0.62818655678186 78.960 > 61 87 Se 0.57310599246488 0.32341761202100 0.12643672767480 78.960 > 63 88 Se 0.57310599246488 0.82341761202100 0.12643672767480 78.960 > 63 89 Se 0.82410268617498 0.43345592793422 0.12818655678186 78.960 > 65 90 Se 0.82410268617498 0.93345592793422 0.12818655678186 78.960 > 65 91 Se 0.41979356775034 0.45794752736443 0.86059361830763 78.960 > 67 92 Se 0.41979356775034 0.95794752736443 0.86059361830763 78.960 > 67 93 Se 0.17589731382502 0.43345592793422 0.37181344321814 78.960 > 69 94 Se 0.17589731382502 0.93345592793422 0.37181344321814 78.960 > 69 95 Se 0.41979356775034 0.04205247263557 0.36059361830763 78.960 > 71 96 Se 0.41979356775034 0.54205247263557 0.36059361830763 78.960 > 71 97 N 0.25782974565729 0.31643986222276 0.92410676617619 14.007 > 97 98 N 0.25782974565729 0.81643986222276 0.92410676617619 14.007 > 97 99 N 0.74217025434271 0.31643986222276 0.57589323382381 14.007 > 99 100 N 0.74217025434271 0.81643986222276 0.57589323382381 14.007 > 99 101 N 0.25782974565729 0.18356013777724 0.42410676617619 14.007 > 101 102 N 0.25782974565729 0.68356013777724 0.42410676617619 14.007 > 101 103 N 0.74217025434271 0.18356013777724 0.07589323382381 14.007 > 103 104 N 0.74217025434271 0.68356013777724 0.07589323382381 14.007 > 103 105 N 0.75782974565729 0.06643986222276 0.92410676617619 14.007 > 97 106 N 0.75782974565729 0.56643986222276 0.92410676617619 14.007 > 97 107 N 0.24217025434271 0.06643986222276 0.57589323382381 14.007 > 99 108 N 0.24217025434271 0.56643986222276 0.57589323382381 14.007 > 99 109 N 0.75782974565729 0.43356013777724 0.42410676617619 14.007 > 101 110 N 0.75782974565729 0.93356013777724 0.42410676617619 14.007 > 101 111 N 0.24217025434271 0.43356013777724 0.07589323382381 14.007 > 103 112 N 0.24217025434271 0.93356013777724 0.07589323382381 14.007 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1036534 0.0000000 -0.1911934 0.0000000 7.5082298 0.0000000 -0.1911778 0.0000000 8.1116663 -------------------------- Born effective charges -------------------------- 1 Ho 4.1581200 -0.7244652 0.5028624 -0.9872977 3.8424801 -0.8445949 0.5971620 -0.5867193 3.9696085 2 Ho 3.5085439 -0.0402496 -0.3790652 0.0840710 3.2716314 -0.3327966 -0.5260727 -0.3349623 4.0869527 3 Ho 3.5085439 0.0402496 -0.3790652 -0.0840710 3.2716314 0.3327966 -0.5260727 0.3349623 4.0869527 4 Ho 3.8907663 0.8151987 -0.3803295 1.0828411 3.8868107 0.5487435 -0.3154207 0.4414352 3.8455829 5 Ho 3.5085439 -0.0402496 -0.3790652 0.0840710 3.2716314 -0.3327966 -0.5260727 -0.3349623 4.0869527 6 Ho 4.1581200 0.7244652 0.5028624 0.9872977 3.8424801 0.8445949 0.5971620 0.5867193 3.9696085 7 Ho 3.5085439 0.0402496 -0.3790652 -0.0840710 3.2716314 0.3327966 -0.5260727 0.3349623 4.0869527 8 Ho 4.1581200 0.7244652 0.5028624 0.9872977 3.8424801 0.8445949 0.5971620 0.5867193 3.9696085 9 Ho 3.8907663 -0.8151987 -0.3803295 -1.0828411 3.8868107 -0.5487435 -0.3154207 -0.4414352 3.8455829 10 Ho 4.1581200 -0.7244652 0.5028624 -0.9872977 3.8424801 -0.8445949 0.5971620 -0.5867193 3.9696085 11 Ho 3.8907663 -0.8151987 -0.3803295 -1.0828411 3.8868107 -0.5487435 -0.3154207 -0.4414352 3.8455829 12 Ho 3.8907663 0.8151987 -0.3803295 1.0828411 3.8868107 0.5487435 -0.3154207 0.4414352 3.8455829 13 Se -2.7996470 -0.3743198 -0.0537983 -0.0907780 -1.6143230 -0.0098122 -0.0687912 0.0074273 -2.9693808 14 Se -3.2921991 -0.2533301 -0.0841746 -0.0481690 -1.9410258 0.1885785 -0.1811453 0.2368255 -2.2386614 15 Se -3.2921991 0.2533301 -0.0841746 0.0481690 -1.9410258 -0.1885785 -0.1811453 -0.2368255 -2.2386614 16 Se -1.9216708 0.0845478 -0.0512640 0.0405900 -2.7396300 0.0113230 0.0144623 0.0614899 -3.2509022 17 Se -2.7996470 0.3743198 -0.0537983 0.0907780 -1.6143230 0.0098122 -0.0687912 -0.0074273 -2.9693808 18 Se -2.7996470 -0.3743198 -0.0537983 -0.0907780 -1.6143230 -0.0098122 -0.0687912 0.0074273 -2.9693808 19 Se -1.9216708 -0.0845478 -0.0512640 -0.0405900 -2.7396300 -0.0113230 0.0144623 -0.0614899 -3.2509022 20 Se -2.7996470 0.3743198 -0.0537983 0.0907780 -1.6143230 0.0098122 -0.0687912 -0.0074273 -2.9693808 21 Se -1.9216708 0.0845478 -0.0512640 0.0405900 -2.7396300 0.0113230 0.0144623 0.0614899 -3.2509022 22 Se -3.2921991 -0.2533301 -0.0841746 -0.0481690 -1.9410258 0.1885785 -0.1811453 0.2368255 -2.2386614 23 Se -1.9216708 -0.0845478 -0.0512640 -0.0405900 -2.7396300 -0.0113230 0.0144623 -0.0614899 -3.2509022 24 Se -3.2921991 0.2533301 -0.0841746 0.0481690 -1.9410258 -0.1885785 -0.1811453 -0.2368255 -2.2386614 25 N -3.5439132 -0.0365691 0.4457693 -0.0417333 -4.7059433 -0.0176465 0.4798057 -0.1313534 -3.4431998 26 N -3.5439132 0.0365691 0.4457693 0.0417333 -4.7059433 0.0176465 0.4798057 0.1313534 -3.4431998 27 N -3.5439132 0.0365691 0.4457693 0.0417333 -4.7059433 0.0176465 0.4798057 0.1313534 -3.4431998 28 N -3.5439132 -0.0365691 0.4457693 -0.0417333 -4.7059433 -0.0176465 0.4798057 -0.1313534 -3.4431998 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 97, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:13:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:13:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.697618530171715 -4.991617280000000 0.000000000000000 b 5.697618530171715 4.991617280000000 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): 1 Ho 0.39195554188099 0.24713067179570 0.61310080060282 164.930 2 Ho 0.21141234415871 0.93604232181425 0.12268464555715 164.930 3 Ho 0.06395767818575 0.78858765584129 0.37731535444285 164.930 4 Ho 0.02160568665491 0.33899427281268 0.38201288627151 164.930 5 Ho 0.78858765584129 0.06395767818575 0.87731535444285 164.930 6 Ho 0.75286932820430 0.60804445811901 0.88689919939718 164.930 7 Ho 0.93604232181425 0.21141234415871 0.62268464555715 164.930 8 Ho 0.24713067179570 0.39195554188099 0.11310080060282 164.930 9 Ho 0.66100572718732 0.97839431334509 0.11798711372849 164.930 10 Ho 0.60804445811901 0.75286932820430 0.38689919939718 164.930 11 Ho 0.33899427281268 0.02160568665491 0.88201288627151 164.930 12 Ho 0.97839431334509 0.66100572718732 0.61798711372849 164.930 13 Se 0.78005878349313 0.07372923157712 0.37356327232520 78.960 14 Se 0.49610148697852 0.66431137752081 0.13940638169237 78.960 15 Se 0.66431137752081 0.49610148697852 0.63940638169237 78.960 16 Se 0.04280916969345 0.30898545795658 0.87181344321814 78.960 17 Se 0.07372923157712 0.78005878349313 0.87356327232520 78.960 18 Se 0.21994121650687 0.92627076842288 0.62643672767480 78.960 19 Se 0.69101454204342 0.95719083030655 0.62818655678186 78.960 20 Se 0.92627076842288 0.21994121650687 0.12643672767480 78.960 21 Se 0.95719083030655 0.69101454204342 0.12818655678186 78.960 22 Se 0.50389851302148 0.33568862247919 0.86059361830763 78.960 23 Se 0.30898545795658 0.04280916969345 0.37181344321814 78.960 24 Se 0.33568862247919 0.50389851302148 0.36059361830763 78.960 25 N 0.62495002121177 0.89070947010280 0.92410676617619 14.007 26 N 0.10929052989720 0.37504997878823 0.57589323382381 14.007 27 N 0.89070947010280 0.62495002121177 0.42410676617619 14.007 28 N 0.37504997878823 0.10929052989720 0.07589323382381 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.395237060343430 0.000000000000000 0.000000000000000 b 0.000000000000000 19.966469119999999 0.000000000000000 c -4.781144387013374 0.000000000000000 11.403850050638180 Atomic positions (fractional): 1 Ho 0.81954310683834 0.21379378247868 0.61310080060282 164.930 > 1 2 Ho 0.81954310683834 0.71379378247868 0.61310080060282 164.930 > 1 3 Ho 0.07372733298648 0.43115749441389 0.12268464555715 164.930 > 3 4 Ho 0.07372733298648 0.93115749441389 0.12268464555715 164.930 > 3 5 Ho 0.92627266701352 0.43115749441389 0.37731535444285 164.930 > 5 6 Ho 0.92627266701352 0.93115749441389 0.37731535444285 164.930 > 5 7 Ho 0.68029997973379 0.32934714653944 0.38201288627151 164.930 > 7 8 Ho 0.68029997973379 0.82934714653944 0.38201288627151 164.930 > 7 9 Ho 0.92627266701352 0.06884250558611 0.87731535444285 164.930 > 9 10 Ho 0.92627266701352 0.56884250558611 0.87731535444285 164.930 > 9 11 Ho 0.18045689316166 0.21379378247868 0.88689919939718 164.930 > 11 12 Ho 0.18045689316166 0.71379378247868 0.88689919939718 164.930 > 11 13 Ho 0.07372733298648 0.06884250558611 0.62268464555715 164.930 > 13 14 Ho 0.07372733298648 0.56884250558611 0.62268464555715 164.930 > 13 15 Ho 0.81954310683834 0.28620621752132 0.11310080060282 164.930 > 15 16 Ho 0.81954310683834 0.78620621752132 0.11310080060282 164.930 > 15 17 Ho 0.31970002026620 0.32934714653944 0.11798711372849 164.930 > 17 18 Ho 0.31970002026620 0.82934714653944 0.11798711372849 164.930 > 17 19 Ho 0.18045689316166 0.28620621752132 0.38689919939718 164.930 > 19 20 Ho 0.18045689316166 0.78620621752132 0.38689919939718 164.930 > 19 21 Ho 0.68029997973379 0.17065285346056 0.88201288627151 164.930 > 21 22 Ho 0.68029997973379 0.67065285346056 0.88201288627151 164.930 > 21 23 Ho 0.31970002026620 0.17065285346056 0.61798711372849 164.930 > 23 24 Ho 0.31970002026620 0.67065285346056 0.61798711372849 164.930 > 23 25 Ho 0.31954310683835 0.46379378247868 0.61310080060282 164.930 > 1 26 Ho 0.31954310683835 0.96379378247868 0.61310080060282 164.930 > 1 27 Ho 0.57372733298648 0.18115749441389 0.12268464555715 164.930 > 3 28 Ho 0.57372733298648 0.68115749441389 0.12268464555715 164.930 > 3 29 Ho 0.42627266701352 0.18115749441389 0.37731535444285 164.930 > 5 30 Ho 0.42627266701352 0.68115749441389 0.37731535444285 164.930 > 5 31 Ho 0.18029997973379 0.07934714653944 0.38201288627151 164.930 > 7 32 Ho 0.18029997973379 0.57934714653944 0.38201288627151 164.930 > 7 33 Ho 0.42627266701352 0.31884250558611 0.87731535444285 164.930 > 9 34 Ho 0.42627266701352 0.81884250558611 0.87731535444285 164.930 > 9 35 Ho 0.68045689316166 0.46379378247868 0.88689919939718 164.930 > 11 36 Ho 0.68045689316166 0.96379378247868 0.88689919939718 164.930 > 11 37 Ho 0.57372733298648 0.31884250558611 0.62268464555715 164.930 > 13 38 Ho 0.57372733298648 0.81884250558611 0.62268464555715 164.930 > 13 39 Ho 0.31954310683835 0.03620621752132 0.11310080060282 164.930 > 15 40 Ho 0.31954310683835 0.53620621752132 0.11310080060282 164.930 > 15 41 Ho 0.81970002026621 0.07934714653944 0.11798711372849 164.930 > 17 42 Ho 0.81970002026621 0.57934714653944 0.11798711372849 164.930 > 17 43 Ho 0.68045689316166 0.03620621752132 0.38689919939718 164.930 > 19 44 Ho 0.68045689316166 0.53620621752132 0.38689919939718 164.930 > 19 45 Ho 0.18029997973379 0.42065285346056 0.88201288627151 164.930 > 21 46 Ho 0.18029997973379 0.92065285346056 0.88201288627151 164.930 > 21 47 Ho 0.81970002026621 0.42065285346056 0.61798711372849 164.930 > 23 48 Ho 0.81970002026621 0.92065285346056 0.61798711372849 164.930 > 23 49 Se 0.92689400753512 0.07341761202100 0.37356327232520 78.960 > 49 50 Se 0.92689400753512 0.57341761202100 0.37356327232520 78.960 > 49 51 Se 0.08020643224966 0.29205247263557 0.13940638169237 78.960 > 51 52 Se 0.08020643224966 0.79205247263557 0.13940638169237 78.960 > 51 53 Se 0.08020643224966 0.20794752736443 0.63940638169237 78.960 > 53 54 Se 0.08020643224966 0.70794752736443 0.63940638169237 78.960 > 53 55 Se 0.67589731382502 0.31654407206578 0.87181344321814 78.960 > 55 56 Se 0.67589731382502 0.81654407206578 0.87181344321814 78.960 > 55 57 Se 0.92689400753512 0.42658238797900 0.87356327232520 78.960 > 57 58 Se 0.92689400753512 0.92658238797900 0.87356327232520 78.960 > 57 59 Se 0.07310599246488 0.42658238797900 0.62643672767480 78.960 > 59 60 Se 0.07310599246488 0.92658238797900 0.62643672767480 78.960 > 59 61 Se 0.32410268617498 0.31654407206578 0.62818655678186 78.960 > 61 62 Se 0.32410268617498 0.81654407206578 0.62818655678186 78.960 > 61 63 Se 0.07310599246488 0.07341761202100 0.12643672767480 78.960 > 63 64 Se 0.07310599246488 0.57341761202100 0.12643672767480 78.960 > 63 65 Se 0.32410268617498 0.18345592793422 0.12818655678186 78.960 > 65 66 Se 0.32410268617498 0.68345592793422 0.12818655678186 78.960 > 65 67 Se 0.91979356775034 0.20794752736443 0.86059361830763 78.960 > 67 68 Se 0.91979356775034 0.70794752736443 0.86059361830763 78.960 > 67 69 Se 0.67589731382502 0.18345592793422 0.37181344321814 78.960 > 69 70 Se 0.67589731382502 0.68345592793422 0.37181344321814 78.960 > 69 71 Se 0.91979356775034 0.29205247263557 0.36059361830763 78.960 > 71 72 Se 0.91979356775034 0.79205247263557 0.36059361830763 78.960 > 71 73 Se 0.42689400753512 0.32341761202100 0.37356327232520 78.960 > 49 74 Se 0.42689400753512 0.82341761202100 0.37356327232520 78.960 > 49 75 Se 0.58020643224966 0.04205247263557 0.13940638169237 78.960 > 51 76 Se 0.58020643224966 0.54205247263557 0.13940638169237 78.960 > 51 77 Se 0.58020643224966 0.45794752736443 0.63940638169237 78.960 > 53 78 Se 0.58020643224966 0.95794752736443 0.63940638169237 78.960 > 53 79 Se 0.17589731382502 0.06654407206578 0.87181344321814 78.960 > 55 80 Se 0.17589731382502 0.56654407206578 0.87181344321814 78.960 > 55 81 Se 0.42689400753512 0.17658238797900 0.87356327232520 78.960 > 57 82 Se 0.42689400753512 0.67658238797900 0.87356327232520 78.960 > 57 83 Se 0.57310599246488 0.17658238797900 0.62643672767480 78.960 > 59 84 Se 0.57310599246488 0.67658238797900 0.62643672767480 78.960 > 59 85 Se 0.82410268617498 0.06654407206578 0.62818655678186 78.960 > 61 86 Se 0.82410268617498 0.56654407206578 0.62818655678186 78.960 > 61 87 Se 0.57310599246488 0.32341761202100 0.12643672767480 78.960 > 63 88 Se 0.57310599246488 0.82341761202100 0.12643672767480 78.960 > 63 89 Se 0.82410268617498 0.43345592793422 0.12818655678186 78.960 > 65 90 Se 0.82410268617498 0.93345592793422 0.12818655678186 78.960 > 65 91 Se 0.41979356775034 0.45794752736443 0.86059361830763 78.960 > 67 92 Se 0.41979356775034 0.95794752736443 0.86059361830763 78.960 > 67 93 Se 0.17589731382502 0.43345592793422 0.37181344321814 78.960 > 69 94 Se 0.17589731382502 0.93345592793422 0.37181344321814 78.960 > 69 95 Se 0.41979356775034 0.04205247263557 0.36059361830763 78.960 > 71 96 Se 0.41979356775034 0.54205247263557 0.36059361830763 78.960 > 71 97 N 0.25782974565729 0.31643986222276 0.92410676617619 14.007 > 97 98 N 0.25782974565729 0.81643986222276 0.92410676617619 14.007 > 97 99 N 0.74217025434271 0.31643986222276 0.57589323382381 14.007 > 99 100 N 0.74217025434271 0.81643986222276 0.57589323382381 14.007 > 99 101 N 0.25782974565729 0.18356013777724 0.42410676617619 14.007 > 101 102 N 0.25782974565729 0.68356013777724 0.42410676617619 14.007 > 101 103 N 0.74217025434271 0.18356013777724 0.07589323382381 14.007 > 103 104 N 0.74217025434271 0.68356013777724 0.07589323382381 14.007 > 103 105 N 0.75782974565729 0.06643986222276 0.92410676617619 14.007 > 97 106 N 0.75782974565729 0.56643986222276 0.92410676617619 14.007 > 97 107 N 0.24217025434271 0.06643986222276 0.57589323382381 14.007 > 99 108 N 0.24217025434271 0.56643986222276 0.57589323382381 14.007 > 99 109 N 0.75782974565729 0.43356013777724 0.42410676617619 14.007 > 101 110 N 0.75782974565729 0.93356013777724 0.42410676617619 14.007 > 101 111 N 0.24217025434271 0.43356013777724 0.07589323382381 14.007 > 103 112 N 0.24217025434271 0.93356013777724 0.07589323382381 14.007 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.1036534 0.0000000 -0.1911934 0.0000000 7.5082298 0.0000000 -0.1911778 0.0000000 8.1116663 -------------------------- Born effective charges -------------------------- 1 Ho 4.1581200 -0.7244652 0.5028624 -0.9872977 3.8424801 -0.8445949 0.5971620 -0.5867193 3.9696085 2 Ho 3.5085439 -0.0402496 -0.3790652 0.0840710 3.2716314 -0.3327966 -0.5260727 -0.3349623 4.0869527 3 Ho 3.5085439 0.0402496 -0.3790652 -0.0840710 3.2716314 0.3327966 -0.5260727 0.3349623 4.0869527 4 Ho 3.8907663 0.8151987 -0.3803295 1.0828411 3.8868107 0.5487435 -0.3154207 0.4414352 3.8455829 5 Ho 3.5085439 -0.0402496 -0.3790652 0.0840710 3.2716314 -0.3327966 -0.5260727 -0.3349623 4.0869527 6 Ho 4.1581200 0.7244652 0.5028624 0.9872977 3.8424801 0.8445949 0.5971620 0.5867193 3.9696085 7 Ho 3.5085439 0.0402496 -0.3790652 -0.0840710 3.2716314 0.3327966 -0.5260727 0.3349623 4.0869527 8 Ho 4.1581200 0.7244652 0.5028624 0.9872977 3.8424801 0.8445949 0.5971620 0.5867193 3.9696085 9 Ho 3.8907663 -0.8151987 -0.3803295 -1.0828411 3.8868107 -0.5487435 -0.3154207 -0.4414352 3.8455829 10 Ho 4.1581200 -0.7244652 0.5028624 -0.9872977 3.8424801 -0.8445949 0.5971620 -0.5867193 3.9696085 11 Ho 3.8907663 -0.8151987 -0.3803295 -1.0828411 3.8868107 -0.5487435 -0.3154207 -0.4414352 3.8455829 12 Ho 3.8907663 0.8151987 -0.3803295 1.0828411 3.8868107 0.5487435 -0.3154207 0.4414352 3.8455829 13 Se -2.7996470 -0.3743198 -0.0537983 -0.0907780 -1.6143230 -0.0098122 -0.0687912 0.0074273 -2.9693808 14 Se -3.2921991 -0.2533301 -0.0841746 -0.0481690 -1.9410258 0.1885785 -0.1811453 0.2368255 -2.2386614 15 Se -3.2921991 0.2533301 -0.0841746 0.0481690 -1.9410258 -0.1885785 -0.1811453 -0.2368255 -2.2386614 16 Se -1.9216708 0.0845478 -0.0512640 0.0405900 -2.7396300 0.0113230 0.0144623 0.0614899 -3.2509022 17 Se -2.7996470 0.3743198 -0.0537983 0.0907780 -1.6143230 0.0098122 -0.0687912 -0.0074273 -2.9693808 18 Se -2.7996470 -0.3743198 -0.0537983 -0.0907780 -1.6143230 -0.0098122 -0.0687912 0.0074273 -2.9693808 19 Se -1.9216708 -0.0845478 -0.0512640 -0.0405900 -2.7396300 -0.0113230 0.0144623 -0.0614899 -3.2509022 20 Se -2.7996470 0.3743198 -0.0537983 0.0907780 -1.6143230 0.0098122 -0.0687912 -0.0074273 -2.9693808 21 Se -1.9216708 0.0845478 -0.0512640 0.0405900 -2.7396300 0.0113230 0.0144623 0.0614899 -3.2509022 22 Se -3.2921991 -0.2533301 -0.0841746 -0.0481690 -1.9410258 0.1885785 -0.1811453 0.2368255 -2.2386614 23 Se -1.9216708 -0.0845478 -0.0512640 -0.0405900 -2.7396300 -0.0113230 0.0144623 -0.0614899 -3.2509022 24 Se -3.2921991 0.2533301 -0.0841746 0.0481690 -1.9410258 -0.1885785 -0.1811453 -0.2368255 -2.2386614 25 N -3.5439132 -0.0365691 0.4457693 -0.0417333 -4.7059433 -0.0176465 0.4798057 -0.1313534 -3.4431998 26 N -3.5439132 0.0365691 0.4457693 0.0417333 -4.7059433 0.0176465 0.4798057 0.1313534 -3.4431998 27 N -3.5439132 0.0365691 0.4457693 0.0417333 -4.7059433 0.0176465 0.4798057 0.1313534 -3.4431998 28 N -3.5439132 -0.0365691 0.4457693 -0.0417333 -4.7059433 -0.0176465 0.4798057 -0.1313534 -3.4431998 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 4 ] 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: 0.48, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 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 1.165 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.302 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.997 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 14.679 ( 0.000 0.000 0.000) 0.000 14.713 ( 0.000 0.000 0.000) 0.000 15.668 ( 0.000 0.000 0.000) 0.000 15.729 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.016 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 7.134 -13.972 14.939) 21.663 0.448 ( 15.258 -14.115 6.747) 21.853 0.739 ( 24.871 -26.290 6.271) 36.730 1.219 ( 2.339 -3.724 2.930) 5.284 1.281 ( 4.281 -2.667 -2.962) 5.849 1.390 ( 9.487 -9.719 -0.853) 13.608 1.613 ( 4.265 -2.474 0.649) 4.973 1.760 ( -1.872 -0.847 -0.452) 2.104 1.923 ( -2.148 -1.649 -3.462) 4.396 1.949 ( 0.964 -1.259 1.229) 2.006 2.054 ( 2.915 -1.884 2.019) 4.016 2.120 ( -3.135 -0.766 -1.320) 3.487 2.217 ( -1.038 0.320 -6.721) 6.809 2.260 ( -1.261 -0.637 2.867) 3.195 2.391 ( -0.400 -1.398 1.535) 2.114 2.505 ( -0.778 1.458 5.176) 5.434 2.654 ( -7.436 -1.634 0.661) 7.642 2.730 ( -1.443 1.990 -2.854) 3.767 2.762 ( -3.472 -2.230 -7.522) 8.579 2.812 ( -0.479 1.140 0.937) 1.551 2.833 ( 2.664 1.249 -0.650) 3.013 2.907 ( 2.275 0.510 5.046) 5.558 3.010 ( 0.220 -1.089 1.277) 1.693 3.044 ( 2.789 1.211 -3.328) 4.508 3.106 ( 1.164 0.472 -0.013) 1.256 3.177 ( 0.456 -3.782 1.659) 4.155 3.458 ( -4.003 2.267 -2.030) 5.028 3.510 ( -4.249 -1.230 -1.642) 4.719 3.583 ( -2.581 -1.752 -3.661) 4.810 3.697 ( -1.103 -1.087 -2.134) 2.637 3.706 ( 1.959 -3.781 -2.106) 4.751 3.745 ( 3.477 -2.362 -1.762) 4.558 3.805 ( 3.207 -3.705 -1.387) 5.093 3.845 ( 7.782 -4.306 -2.747) 9.308 3.974 ( 1.527 -3.763 -2.536) 4.788 4.097 ( 1.838 1.452 -0.562) 2.409 4.122 ( -3.889 2.722 -0.359) 4.760 4.152 ( 0.422 -0.430 -2.758) 2.823 4.213 ( 1.309 -1.477 0.573) 2.055 4.238 ( -3.748 -0.858 0.561) 3.886 4.268 ( 1.614 1.330 2.490) 3.252 4.331 ( -0.663 1.086 -0.364) 1.323 4.345 ( 0.816 -0.158 1.734) 1.923 4.355 ( 2.395 0.743 0.051) 2.508 4.391 ( -1.389 0.327 2.605) 2.970 4.459 ( -0.479 1.030 -1.402) 1.804 4.465 ( 5.087 1.417 0.563) 5.311 4.529 ( -1.128 1.723 4.829) 5.250 4.576 ( -0.897 -1.165 2.634) 3.017 4.617 ( 0.514 3.188 1.019) 3.386 4.651 ( 0.279 1.631 2.179) 2.737 4.671 ( 1.181 -0.047 0.314) 1.223 4.759 ( -1.292 2.517 0.286) 2.843 4.795 ( 10.338 9.558 1.485) 14.158 4.898 ( 3.183 2.367 -0.511) 3.999 4.925 ( 1.324 1.455 0.570) 2.048 4.978 ( 0.601 2.057 -0.978) 2.356 5.007 ( -0.290 0.709 2.030) 2.170 5.040 ( -0.359 1.145 -0.164) 1.211 5.070 ( -1.329 -1.063 -1.984) 2.614 5.092 ( 2.656 6.618 2.162) 7.451 5.201 ( 1.466 -1.007 -1.402) 2.265 5.222 ( 0.430 0.008 4.432) 4.452 5.294 ( 0.402 1.738 1.538) 2.356 5.436 ( -1.220 0.629 -0.475) 1.453 5.453 ( -1.745 6.908 0.116) 7.126 5.539 ( -0.182 0.794 -0.929) 1.236 5.590 ( -2.363 3.382 1.134) 4.279 5.707 ( -4.069 -2.281 -0.867) 4.745 5.720 ( -5.788 4.035 1.858) 7.296 6.051 ( -0.973 -6.789 4.874) 8.414 6.175 ( -0.099 -1.714 -0.613) 1.823 12.233 ( -0.291 0.367 0.617) 0.774 12.289 ( -0.582 0.368 -1.672) 1.808 13.606 ( 0.325 9.483 22.249) 24.188 13.982 ( -1.164 1.214 -3.577) 3.952 14.263 ( 11.710 9.457 -5.753) 16.114 14.633 ( 0.541 5.860 -2.192) 6.280 14.702 ( 0.264 -0.778 -0.104) 0.829 14.843 ( 4.710 5.863 1.937) 7.766 15.745 ( 0.596 -9.112 1.671) 9.283 16.722 ( -41.364 -44.980 -32.904) 69.403 17.044 ( 0.051 -3.660 0.919) 3.774 17.078 ( 1.867 -7.497 -1.304) 7.836 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 7.420 -12.112 11.251) 18.120 0.841 ( 13.027 -10.204 7.478) 18.159 1.288 ( -0.668 -3.324 2.117) 3.997 1.357 ( 4.212 -4.841 -0.168) 6.419 1.437 ( 20.556 -19.733 1.709) 28.546 1.655 ( 6.882 -8.206 2.005) 10.896 1.722 ( 1.970 -2.459 3.291) 4.556 1.753 ( 4.318 -1.182 -5.969) 7.461 1.877 ( 0.113 2.470 -3.966) 4.674 1.981 ( 0.379 -1.214 -2.993) 3.252 2.045 ( -4.029 -3.266 1.223) 5.329 2.146 ( 1.233 -2.765 -7.110) 7.728 2.225 ( 1.311 -2.236 1.035) 2.791 2.277 ( -4.447 -3.226 8.820) 10.391 2.357 ( -4.908 2.097 2.309) 5.815 2.536 ( -2.180 -4.192 -2.281) 5.247 2.570 ( -2.465 2.161 1.620) 3.656 2.677 ( 1.169 1.417 -1.731) 2.524 2.753 ( -1.119 -2.495 -2.277) 3.558 2.819 ( 0.609 -1.499 -1.563) 2.250 2.850 ( 3.548 -0.119 -3.608) 5.062 2.946 ( 0.409 0.672 2.622) 2.738 2.973 ( -0.993 1.789 3.088) 3.705 3.071 ( 2.036 1.341 -0.818) 2.572 3.140 ( 4.678 0.011 -0.464) 4.701 3.258 ( 1.126 -4.587 1.631) 4.997 3.380 ( -3.000 0.452 -2.853) 4.165 3.488 ( -0.772 -0.555 -2.541) 2.713 3.521 ( -5.261 0.119 -3.494) 6.317 3.630 ( -3.946 3.047 -3.317) 5.988 3.781 ( 1.056 -3.975 -1.127) 4.264 3.818 ( 2.612 -2.804 -2.381) 4.512 3.879 ( 1.153 -2.921 -0.666) 3.210 3.991 ( 2.919 -2.822 0.284) 4.069 4.028 ( 0.400 0.036 -2.496) 2.528 4.058 ( 3.645 -2.918 -0.330) 4.681 4.088 ( -0.101 -0.141 -0.539) 0.566 4.143 ( -0.756 -0.228 -1.424) 1.628 4.213 ( -1.938 -0.938 0.025) 2.153 4.254 ( 1.015 3.300 2.674) 4.367 4.268 ( -1.030 2.192 1.571) 2.887 4.309 ( 0.344 -1.558 0.014) 1.596 4.350 ( -0.520 1.643 -0.641) 1.838 4.362 ( -1.598 -0.900 1.878) 2.625 4.408 ( 3.496 0.613 0.471) 3.580 4.449 ( 1.694 0.326 -0.361) 1.762 4.475 ( 1.513 1.264 -0.796) 2.126 4.510 ( -1.651 1.435 1.142) 2.468 4.584 ( -1.455 0.124 2.750) 3.114 4.616 ( 2.044 -0.894 0.253) 2.245 4.659 ( 0.011 0.084 4.641) 4.641 4.688 ( 1.251 1.088 1.754) 2.414 4.711 ( 1.156 2.484 -0.279) 2.754 4.796 ( 2.911 2.890 0.763) 4.172 4.885 ( 1.187 2.240 -1.230) 2.817 4.907 ( -1.671 2.170 -0.222) 2.747 4.947 ( 2.533 3.244 1.835) 4.507 4.996 ( -0.300 2.097 1.429) 2.555 5.025 ( 0.926 2.256 -0.386) 2.469 5.047 ( -0.376 -0.328 0.313) 0.589 5.097 ( 1.311 -1.190 -0.248) 1.788 5.207 ( 0.223 1.395 -0.340) 1.453 5.234 ( -0.765 1.420 0.837) 1.817 5.273 ( -0.948 0.697 2.789) 3.027 5.330 ( -1.313 6.316 -0.458) 6.468 5.400 ( -2.103 0.230 -2.351) 3.163 5.503 ( 1.017 3.113 -2.185) 3.937 5.517 ( -3.097 2.316 1.511) 4.152 5.616 ( -4.715 1.938 2.098) 5.513 5.662 ( -5.639 -1.087 -1.868) 6.039 6.149 ( 1.434 -3.648 1.892) 4.352 6.201 ( -0.144 -2.372 -0.961) 2.563 12.228 ( -0.407 0.115 0.584) 0.721 12.271 ( -0.183 -0.017 -1.793) 1.802 13.587 ( 0.768 6.474 11.989) 13.647 13.888 ( -3.520 4.154 -5.615) 7.821 14.241 ( 1.946 2.556 -0.186) 3.218 14.566 ( 2.137 4.311 -0.467) 4.834 14.723 ( -0.130 -1.808 -0.471) 1.873 14.803 ( 4.643 8.608 1.623) 9.913 15.941 ( 1.597 -12.467 4.634) 13.396 16.657 ( -17.470 -15.873 -16.935) 29.051 17.114 ( 0.786 -3.931 1.374) 4.238 17.217 ( 1.734 -8.252 -1.186) 8.515 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 8.225 -7.974 6.411) 13.128 1.116 ( 7.284 -3.988 4.532) 9.461 1.232 ( -8.183 1.986 -1.710) 8.592 1.435 ( 2.220 -2.563 1.210) 3.600 1.631 ( -3.504 3.599 -6.424) 8.155 1.769 ( 0.111 -3.840 -0.201) 3.847 1.808 ( 1.977 0.474 2.974) 3.603 1.888 ( 4.130 -3.506 -0.436) 5.435 1.949 ( 7.111 -2.129 -1.643) 7.603 2.021 ( 9.473 -4.539 -2.396) 10.774 2.077 ( -1.744 -3.039 3.720) 5.111 2.171 ( 0.720 -3.522 -3.406) 4.952 2.239 ( -2.331 0.123 1.345) 2.694 2.265 ( -4.135 0.693 1.761) 4.547 2.346 ( -1.898 -4.461 6.020) 7.730 2.463 ( -2.927 3.720 -3.995) 6.194 2.598 ( 0.952 -0.795 -0.723) 1.435 2.695 ( 0.974 -1.028 0.979) 1.722 2.769 ( 0.714 -0.242 0.545) 0.930 2.832 ( 0.691 -0.559 -4.104) 4.200 2.869 ( -1.330 -3.231 0.106) 3.495 2.916 ( 1.569 4.127 -1.340) 4.614 3.005 ( 0.276 -1.675 4.391) 4.707 3.068 ( 1.475 1.300 -0.566) 2.046 3.175 ( 1.913 1.023 -2.031) 2.972 3.339 ( -1.680 -3.869 1.334) 4.424 3.357 ( 2.616 -1.205 0.196) 2.887 3.415 ( -1.835 2.881 -3.282) 4.737 3.456 ( -3.687 2.672 -1.418) 4.769 3.525 ( -2.570 0.989 -0.768) 2.859 3.822 ( -0.061 -1.242 -1.051) 1.628 3.864 ( 0.244 -3.289 -0.829) 3.400 3.906 ( 0.604 0.682 0.274) 0.951 4.005 ( 1.126 -2.108 -2.024) 3.132 4.064 ( -0.137 0.080 1.014) 1.026 4.084 ( -0.617 0.283 -0.891) 1.120 4.138 ( 1.432 -0.331 0.588) 1.583 4.164 ( 0.244 -1.791 1.193) 2.166 4.179 ( -0.718 0.128 -0.379) 0.822 4.214 ( -0.477 0.531 -0.654) 0.968 4.226 ( -0.305 3.489 0.606) 3.554 4.334 ( 0.709 -0.493 0.563) 1.031 4.342 ( 0.329 -0.906 -0.278) 1.003 4.356 ( -1.367 -0.123 1.371) 1.940 4.420 ( 1.343 2.760 -0.195) 3.075 4.452 ( 0.489 -0.416 -0.540) 0.839 4.470 ( -0.371 0.157 -0.323) 0.516 4.499 ( 0.579 0.873 -0.175) 1.062 4.604 ( 1.019 -1.527 0.219) 1.849 4.639 ( 0.576 -0.517 -0.340) 0.845 4.672 ( -1.501 -0.068 3.282) 3.610 4.690 ( 0.617 0.724 0.988) 1.372 4.742 ( 2.952 -1.181 -0.153) 3.183 4.791 ( 0.004 1.174 1.922) 2.252 4.855 ( -1.297 1.254 1.254) 2.197 4.870 ( -0.166 0.000 -1.959) 1.966 4.939 ( 0.388 2.609 0.315) 2.656 4.971 ( 0.187 1.180 1.021) 1.572 5.006 ( 0.670 1.119 0.238) 1.326 5.035 ( -0.131 0.333 -1.154) 1.208 5.149 ( 1.887 -1.448 -1.569) 2.849 5.175 ( -0.157 2.357 0.896) 2.527 5.193 ( -0.049 0.569 1.108) 1.247 5.240 ( -1.931 3.222 -0.471) 3.786 5.297 ( 0.493 -1.449 1.207) 1.949 5.360 ( -1.430 0.416 -1.775) 2.318 5.447 ( -1.666 1.445 -1.252) 2.535 5.508 ( 3.406 0.914 1.932) 4.021 5.563 ( -3.462 0.551 0.574) 3.552 5.595 ( -3.772 -0.432 -1.450) 4.064 6.207 ( 1.103 -0.979 1.262) 1.941 6.220 ( -0.470 -1.280 -1.099) 1.751 12.227 ( -0.158 -0.138 0.143) 0.254 12.266 ( 0.058 -0.115 -0.641) 0.654 13.575 ( 0.864 2.826 4.942) 5.758 13.763 ( -2.722 2.425 -3.152) 4.820 14.244 ( 0.695 0.076 0.374) 0.793 14.548 ( 0.991 1.309 -0.027) 1.642 14.727 ( -2.164 -0.847 -0.248) 2.337 14.764 ( 3.740 3.984 0.353) 5.476 16.133 ( 1.582 -6.083 3.764) 7.326 16.576 ( -6.166 -3.696 -7.280) 10.231 17.172 ( 0.459 -1.721 0.670) 1.903 17.315 ( 0.656 -3.340 -0.425) 3.431 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 16.845 -0.000 8.608) 18.917 0.607 ( 11.680 -0.000 27.937) 30.281 1.013 ( 35.885 -0.000 3.309) 36.038 1.271 ( 6.230 -0.000 2.272) 6.631 1.333 ( 9.298 -0.000 -5.472) 10.789 1.456 ( 11.514 -0.000 1.960) 11.680 1.671 ( 5.832 -0.000 2.071) 6.189 1.731 ( -0.263 0.000 -2.113) 2.129 1.876 ( -1.118 0.000 -1.469) 1.846 1.948 ( 0.297 -0.000 0.906) 0.953 2.079 ( 0.938 -0.000 -9.973) 10.017 2.084 ( -1.574 0.000 1.099) 1.920 2.169 ( 0.596 -0.000 1.470) 1.587 2.253 ( -2.207 0.000 4.331) 4.860 2.391 ( -0.622 0.000 1.582) 1.700 2.460 ( -8.653 0.000 0.963) 8.707 2.604 ( -2.724 0.000 5.583) 6.212 2.643 ( -3.294 0.000 -11.248) 11.720 2.739 ( 2.999 -0.000 -3.083) 4.301 2.812 ( -1.623 0.000 2.613) 3.076 2.869 ( 3.050 -0.000 -2.251) 3.791 2.964 ( 1.543 -0.000 5.268) 5.489 2.996 ( -1.760 0.000 -2.024) 2.682 3.075 ( 4.148 -0.000 -2.928) 5.077 3.124 ( 4.253 -0.000 0.574) 4.292 3.185 ( 0.921 -0.000 2.568) 2.728 3.393 ( -5.632 0.000 -1.560) 5.844 3.473 ( -1.601 0.000 -1.776) 2.392 3.518 ( 0.674 -0.000 -9.911) 9.934 3.678 ( -0.847 0.000 -5.169) 5.238 3.698 ( 1.596 -0.000 0.390) 1.643 3.752 ( 1.291 -0.000 -0.854) 1.548 3.836 ( 5.152 -0.000 -1.448) 5.352 3.912 ( 8.340 -0.000 0.866) 8.385 3.973 ( 4.834 -0.000 -2.340) 5.371 4.090 ( -3.005 0.000 -1.786) 3.496 4.145 ( 0.136 -0.000 -0.321) 0.348 4.160 ( 0.042 -0.000 1.052) 1.053 4.188 ( 0.553 -0.000 0.203) 0.589 4.209 ( 1.210 -0.000 0.458) 1.293 4.298 ( -0.224 0.000 3.073) 3.082 4.339 ( 0.151 -0.000 2.739) 2.744 4.348 ( -1.022 0.000 1.342) 1.687 4.395 ( 0.853 -0.000 -0.097) 0.858 4.403 ( 2.992 -0.000 -1.621) 3.403 4.446 ( 0.001 -0.000 -1.014) 1.014 4.510 ( -2.994 0.000 2.185) 3.706 4.552 ( 4.554 -0.000 -0.295) 4.563 4.563 ( -2.070 0.000 2.168) 2.998 4.625 ( -1.133 0.000 1.047) 1.542 4.682 ( 0.332 -0.000 5.342) 5.352 4.700 ( 3.247 -0.000 -0.309) 3.261 4.757 ( -1.438 0.000 0.131) 1.444 4.909 ( -0.623 0.000 -3.486) 3.541 4.911 ( -2.729 0.000 1.671) 3.200 4.983 ( -5.771 0.000 -0.386) 5.784 4.988 ( 4.486 -0.000 -2.037) 4.927 4.994 ( 1.654 -0.000 -0.742) 1.813 5.034 ( 1.122 -0.000 0.757) 1.353 5.049 ( 0.202 -0.000 0.456) 0.498 5.154 ( -1.448 0.000 -0.083) 1.450 5.175 ( -2.559 0.000 1.652) 3.046 5.283 ( -1.537 0.000 3.293) 3.634 5.325 ( 1.171 -0.000 -6.033) 6.145 5.382 ( -5.385 0.000 -1.383) 5.560 5.501 ( -2.966 0.000 -2.952) 4.185 5.513 ( -2.147 0.000 -2.425) 3.239 5.620 ( -4.826 0.000 -0.484) 4.850 5.636 ( -2.020 0.000 1.302) 2.403 5.654 ( -9.742 0.000 9.078) 13.316 6.022 ( 2.101 -0.000 7.606) 7.891 6.153 ( -0.369 0.000 -1.295) 1.347 12.236 ( -0.273 0.000 1.129) 1.162 12.274 ( -1.172 0.000 -1.756) 2.111 13.729 ( -8.213 0.000 20.599) 22.176 13.956 ( -1.323 0.000 -7.328) 7.447 14.488 ( -5.756 0.000 3.185) 6.578 14.676 ( -0.239 0.000 0.286) 0.373 14.835 ( 5.190 -0.000 3.862) 6.469 14.836 ( 7.535 -0.000 -16.719) 18.339 15.746 ( 0.503 -0.000 1.238) 1.337 15.845 ( 7.361 -0.000 -11.023) 13.255 17.017 ( 1.630 -0.000 -1.967) 2.555 17.095 ( 5.075 -0.000 1.787) 5.381 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 12.368 -4.665 13.215) 18.692 0.959 ( 13.216 -7.618 16.665) 22.592 1.321 ( 3.963 3.435 -0.368) 5.257 1.402 ( 11.013 -2.353 -2.200) 11.474 1.526 ( 19.941 -4.390 -0.239) 20.420 1.600 ( 0.330 -5.186 2.953) 5.977 1.741 ( 5.837 0.106 -1.250) 5.971 1.816 ( 10.854 -4.914 0.266) 11.917 1.891 ( 3.653 -1.368 -1.305) 4.114 1.966 ( -2.229 0.388 -5.171) 5.644 1.979 ( 0.823 -0.964 -2.129) 2.477 2.099 ( 0.181 -0.756 -0.301) 0.833 2.231 ( 1.503 -1.209 4.386) 4.791 2.240 ( -3.605 0.278 5.176) 6.314 2.337 ( -6.189 1.618 1.754) 6.633 2.401 ( -3.541 -3.833 -1.492) 5.428 2.595 ( -0.551 -3.421 -6.801) 7.633 2.608 ( -0.271 -0.321 0.323) 0.530 2.768 ( 4.792 0.984 -0.494) 4.917 2.821 ( 0.314 -0.534 1.724) 1.832 2.899 ( 4.683 1.523 -2.840) 5.685 2.963 ( -0.416 0.371 0.432) 0.706 3.010 ( 2.309 0.796 2.930) 3.814 3.097 ( 2.087 0.504 -2.329) 3.168 3.181 ( 3.323 -0.123 -3.064) 4.522 3.229 ( 1.428 -3.041 0.632) 3.418 3.328 ( -3.534 -0.876 -0.502) 3.675 3.435 ( -2.389 -0.036 -1.383) 2.761 3.491 ( 2.718 0.855 -6.842) 7.411 3.616 ( -1.895 1.964 -6.105) 6.687 3.725 ( -1.184 -3.050 -0.619) 3.330 3.771 ( -1.057 -3.214 -1.219) 3.597 3.886 ( 3.882 -0.224 -1.619) 4.212 4.019 ( 2.300 0.636 1.995) 3.110 4.035 ( 2.206 0.507 -1.749) 2.860 4.050 ( 4.453 -2.374 -0.946) 5.134 4.131 ( -0.769 0.658 -0.121) 1.019 4.165 ( 1.007 2.531 1.714) 3.219 4.174 ( 0.823 -0.478 0.503) 1.077 4.277 ( -0.709 -2.446 1.742) 3.085 4.299 ( 0.862 1.885 -0.365) 2.105 4.332 ( 0.206 1.895 1.388) 2.358 4.342 ( -0.231 -0.077 2.657) 2.668 4.385 ( 1.558 2.287 -1.983) 3.404 4.433 ( 2.049 -0.344 -1.465) 2.543 4.471 ( 0.974 -1.404 1.407) 2.214 4.502 ( 1.055 0.782 3.045) 3.316 4.526 ( -0.592 2.387 -1.642) 2.957 4.566 ( -1.781 -0.049 -0.020) 1.782 4.642 ( 1.046 0.103 2.441) 2.657 4.704 ( 0.609 2.105 4.708) 5.193 4.726 ( 0.279 1.072 0.956) 1.463 4.737 ( 0.424 0.491 1.266) 1.423 4.855 ( -0.877 2.462 -1.501) 3.014 4.874 ( -3.061 0.088 -1.641) 3.474 4.900 ( -3.616 0.763 -1.543) 4.005 4.995 ( 0.574 1.402 -0.039) 1.515 5.015 ( -0.438 -0.071 1.137) 1.221 5.039 ( -0.263 1.237 0.199) 1.280 5.076 ( 0.245 0.420 0.194) 0.523 5.103 ( 0.325 0.987 0.237) 1.066 5.176 ( -2.386 -2.307 0.543) 3.363 5.259 ( -0.773 1.922 0.597) 2.156 5.279 ( -2.910 1.485 2.054) 3.859 5.345 ( -1.503 -1.169 -2.044) 2.793 5.384 ( -4.399 4.798 -2.310) 6.907 5.469 ( -4.094 -0.355 -2.560) 4.842 5.560 ( -5.420 -1.435 -1.558) 5.819 5.582 ( -4.355 1.217 5.132) 6.840 5.594 ( -0.578 3.679 1.263) 3.933 6.113 ( 1.098 -4.284 2.873) 5.274 6.154 ( -0.694 -2.039 -1.771) 2.788 12.230 ( -0.112 0.808 -0.127) 0.826 12.259 ( -0.444 -0.571 -0.352) 0.805 13.706 ( -4.321 3.628 11.772) 13.054 13.856 ( -4.604 2.505 -7.607) 9.238 14.374 ( 0.984 8.379 2.645) 8.841 14.681 ( 0.672 3.114 -0.172) 3.190 14.696 ( 3.574 5.355 -3.710) 7.430 14.982 ( 3.488 2.704 1.458) 4.648 15.785 ( 0.922 -9.831 0.641) 9.895 16.118 ( -2.174 -22.886 -6.804) 23.974 17.059 ( 1.480 -3.984 -2.251) 4.809 17.202 ( 5.864 -3.103 2.204) 6.991 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 7.502 -5.147 11.811) 14.909 1.250 ( 1.640 4.401 1.179) 4.843 1.260 ( 12.183 3.381 1.004) 12.683 1.491 ( 3.938 0.174 5.901) 7.096 1.630 ( 1.297 2.538 -2.833) 4.019 1.687 ( 2.248 -2.448 -4.947) 5.959 1.786 ( -1.159 -4.586 -1.651) 5.010 1.904 ( -0.473 -0.017 -2.051) 2.105 1.978 ( 3.702 -1.761 -1.124) 4.251 2.017 ( 2.373 -3.501 -0.572) 4.268 2.043 ( -2.065 -0.499 -0.424) 2.167 2.173 ( 9.775 -4.221 2.158) 10.864 2.225 ( -2.333 -0.222 5.885) 6.334 2.267 ( 1.969 -0.240 -0.043) 1.984 2.322 ( -0.088 -2.859 7.302) 7.842 2.440 ( 2.530 -3.922 -1.707) 4.970 2.576 ( -3.148 1.623 -3.250) 4.807 2.624 ( -0.103 -4.063 -3.968) 5.681 2.827 ( 1.911 0.284 4.672) 5.056 2.839 ( 5.455 1.076 -5.265) 7.658 2.884 ( 0.541 2.730 2.449) 3.707 2.986 ( 3.147 1.497 -2.051) 4.044 3.024 ( -0.028 0.921 3.938) 4.045 3.093 ( 1.475 1.714 -2.693) 3.516 3.157 ( -2.005 0.727 -6.103) 6.465 3.281 ( -0.795 -2.947 0.676) 3.126 3.335 ( -0.535 -2.447 0.740) 2.612 3.438 ( 3.784 0.469 0.813) 3.899 3.472 ( 2.351 2.890 -4.277) 5.672 3.546 ( 1.907 1.418 -3.918) 4.582 3.760 ( -1.015 -5.223 -1.227) 5.460 3.805 ( -0.961 -4.240 -0.828) 4.426 3.926 ( 2.705 -0.040 0.206) 2.713 3.989 ( -0.224 0.154 -2.017) 2.035 4.086 ( 1.810 1.039 2.560) 3.303 4.097 ( 0.484 1.714 -1.028) 2.056 4.134 ( 1.752 -2.601 1.238) 3.372 4.174 ( 0.750 0.108 1.749) 1.906 4.185 ( -0.498 0.908 0.152) 1.047 4.234 ( -1.838 2.987 1.584) 3.849 4.269 ( 0.697 1.872 -1.917) 2.768 4.342 ( 0.759 0.386 0.576) 1.028 4.363 ( 2.677 1.715 0.612) 3.237 4.377 ( 1.557 1.386 1.119) 2.366 4.443 ( 1.370 -0.620 -3.174) 3.513 4.464 ( -0.438 3.229 -3.340) 4.667 4.492 ( -0.461 1.029 2.582) 2.817 4.511 ( -0.702 1.302 0.799) 1.681 4.570 ( 0.000 -2.366 1.481) 2.791 4.648 ( -0.552 0.256 1.839) 1.937 4.685 ( -1.130 2.015 2.064) 3.098 4.709 ( -0.988 1.165 1.049) 1.854 4.757 ( 0.447 -0.218 1.231) 1.328 4.802 ( -1.924 1.609 -2.010) 3.214 4.838 ( -1.807 -0.433 -1.786) 2.577 4.856 ( -1.453 -0.022 1.532) 2.111 4.959 ( -2.065 2.208 -2.983) 4.247 4.988 ( -1.505 1.728 2.262) 3.220 5.013 ( -2.501 0.723 1.943) 3.248 5.043 ( -0.402 1.403 -0.358) 1.503 5.127 ( 0.145 -1.373 -1.248) 1.862 5.172 ( -2.502 -0.228 -0.584) 2.579 5.218 ( -1.470 2.676 0.267) 3.065 5.238 ( -2.751 1.133 0.763) 3.072 5.293 ( 0.565 -0.143 -1.334) 1.456 5.345 ( -0.171 -0.572 0.367) 0.701 5.413 ( -3.756 -0.935 -0.097) 3.872 5.505 ( -3.928 -0.124 -1.462) 4.193 5.541 ( -1.258 -0.766 0.219) 1.489 5.602 ( 3.591 0.971 3.020) 4.792 6.169 ( -1.410 -2.801 -1.780) 3.605 6.187 ( 0.066 -3.383 1.212) 3.594 12.222 ( 0.228 -0.090 -1.073) 1.101 12.266 ( 0.133 -0.179 1.233) 1.253 13.620 ( -3.819 4.864 -2.171) 6.554 13.756 ( -3.040 0.922 2.498) 4.041 14.321 ( 3.164 5.342 1.860) 6.482 14.613 ( 2.019 5.740 -1.566) 6.283 14.680 ( -1.567 0.126 -0.017) 1.572 14.928 ( 2.643 8.858 0.866) 9.285 15.978 ( -0.897 -14.155 -2.252) 14.361 16.351 ( -0.639 -16.393 0.593) 16.416 17.123 ( 0.518 -4.154 -2.501) 4.877 17.328 ( 5.105 -2.329 2.523) 6.152 ======================= Grid point 11 (8/60) ======================= q-point: (-0.43 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.171 12.687 -1.732) 12.806 1.124 ( -2.599 7.580 -2.325) 8.344 1.404 ( 12.660 3.445 3.145) 13.492 1.502 ( 0.840 6.398 0.123) 6.454 1.674 ( 4.106 -1.943 4.405) 6.328 1.692 ( -2.236 -3.334 -0.313) 4.027 1.774 ( -6.119 1.906 -3.787) 7.444 1.876 ( -2.763 -1.481 1.046) 3.305 1.943 ( -2.252 7.077 -0.225) 7.430 2.040 ( -1.527 1.132 5.906) 6.204 2.085 ( 3.520 -1.793 -5.477) 6.753 2.197 ( -2.628 2.045 3.061) 4.524 2.244 ( 0.854 -0.870 -2.001) 2.343 2.318 ( 2.480 -0.116 0.081) 2.484 2.411 ( 0.429 -2.351 1.909) 3.059 2.481 ( 4.606 2.362 1.226) 5.320 2.557 ( -0.044 -2.932 0.365) 2.955 2.646 ( -0.718 -2.245 -5.615) 6.089 2.808 ( -1.913 4.343 2.641) 5.431 2.849 ( 0.865 -1.204 0.291) 1.511 2.924 ( 3.239 4.172 1.845) 5.595 2.951 ( 0.723 1.598 0.770) 1.915 3.004 ( -1.597 0.710 -2.394) 2.964 3.039 ( -0.738 4.200 -3.340) 5.417 3.114 ( -3.412 -2.118 0.582) 4.058 3.335 ( 1.229 -2.805 1.402) 3.368 3.379 ( 1.005 -1.935 0.135) 2.185 3.435 ( 3.225 2.534 -0.073) 4.102 3.493 ( 5.808 -0.463 -1.161) 5.941 3.598 ( 6.743 -0.074 0.307) 6.750 3.819 ( 0.249 -2.898 0.189) 2.915 3.858 ( -0.347 -3.050 0.035) 3.070 3.927 ( 0.551 2.731 0.696) 2.871 4.004 ( -0.748 -2.678 -2.043) 3.450 4.075 ( 0.404 3.420 1.995) 3.980 4.110 ( 1.927 -0.527 1.753) 2.658 4.135 ( 0.216 1.268 -1.148) 1.724 4.153 ( -0.767 0.886 0.538) 1.290 4.200 ( -0.450 -0.009 2.045) 2.094 4.226 ( 2.726 -1.500 1.168) 3.324 4.256 ( 2.321 3.882 -1.208) 4.682 4.347 ( -0.334 0.181 -2.417) 2.447 4.360 ( -0.347 0.973 -0.754) 1.279 4.363 ( 1.151 2.040 0.997) 2.546 4.393 ( 0.145 1.610 -2.031) 2.596 4.444 ( -0.423 0.708 -3.047) 3.156 4.478 ( -3.152 0.124 2.701) 4.152 4.494 ( 0.774 0.724 2.385) 2.610 4.588 ( -1.671 0.122 0.534) 1.759 4.630 ( -3.635 -0.717 1.137) 3.875 4.669 ( 0.718 1.717 -0.178) 1.869 4.687 ( -0.649 -0.299 -0.288) 0.770 4.725 ( -2.620 2.173 -3.838) 5.130 4.752 ( -2.231 -1.145 -0.614) 2.582 4.840 ( 0.777 -1.736 -1.017) 2.156 4.859 ( -2.692 0.861 -0.794) 2.936 4.903 ( -0.702 0.066 -0.467) 0.846 4.936 ( -2.547 0.561 -0.021) 2.608 4.991 ( -1.627 -0.002 3.179) 3.571 5.033 ( 0.545 -0.865 -1.421) 1.751 5.121 ( -1.645 -1.661 0.777) 2.463 5.127 ( -3.196 -0.446 -1.358) 3.501 5.189 ( -1.964 0.986 -0.344) 2.224 5.219 ( 0.492 -1.481 1.216) 1.978 5.290 ( -0.725 0.073 -2.530) 2.633 5.384 ( 2.402 -1.407 1.171) 3.020 5.420 ( -2.228 -2.993 3.510) 5.123 5.472 ( 0.638 -0.521 -2.159) 2.311 5.567 ( 1.416 -2.202 -0.917) 2.774 5.669 ( 4.892 -0.230 2.469) 5.485 6.172 ( -2.128 -1.759 -1.504) 3.143 6.224 ( -0.295 -1.396 0.713) 1.595 12.223 ( 0.141 -0.334 -1.047) 1.108 12.278 ( 0.350 0.222 1.902) 1.946 13.504 ( -3.016 1.259 -5.640) 6.518 13.773 ( 0.666 -2.752 3.701) 4.659 14.295 ( 2.494 4.660 0.814) 5.348 14.549 ( -0.833 3.419 -0.934) 3.641 14.659 ( -2.013 -0.790 0.117) 2.166 14.841 ( 1.595 6.744 0.357) 6.940 16.081 ( -2.231 -5.135 -5.036) 7.530 16.611 ( 4.303 -13.501 7.545) 16.054 17.150 ( -0.508 -1.547 -3.117) 3.517 17.405 ( 4.270 2.220 3.064) 5.706 ======================= Grid point 12 (9/60) ======================= q-point: (-0.29 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -2.215 16.310 -6.153) 17.572 0.911 ( -1.954 16.390 0.128) 16.507 1.387 ( 1.169 7.995 -1.604) 8.238 1.445 ( 0.507 8.376 2.049) 8.638 1.504 ( -9.467 16.031 -2.429) 18.775 1.642 ( -5.461 5.240 -3.873) 8.502 1.728 ( -2.519 5.628 2.683) 6.724 1.825 ( 4.874 2.905 0.140) 5.676 1.876 ( 0.511 -1.193 5.404) 5.558 2.008 ( -2.649 2.097 0.822) 3.477 2.118 ( 3.577 1.124 -2.461) 4.485 2.179 ( -1.115 -1.152 6.414) 6.611 2.243 ( -1.004 1.792 0.244) 2.069 2.342 ( 2.999 -0.196 -5.468) 6.239 2.417 ( 4.900 7.721 -2.867) 9.584 2.529 ( -1.030 1.061 -0.911) 1.737 2.591 ( 0.391 -5.556 2.414) 6.070 2.636 ( 0.075 -3.668 0.529) 3.706 2.753 ( -2.375 -0.221 1.026) 2.597 2.880 ( 0.386 2.304 0.704) 2.440 2.899 ( 0.857 -0.488 2.977) 3.136 2.920 ( 0.269 4.845 1.135) 4.983 2.948 ( 0.259 1.634 -4.989) 5.257 3.001 ( -3.822 -3.037 0.024) 4.882 3.096 ( -1.588 0.379 -0.623) 1.748 3.315 ( -0.104 4.825 -0.607) 4.864 3.417 ( 2.083 -0.738 1.281) 2.554 3.513 ( 2.770 -2.843 2.495) 4.688 3.573 ( 4.177 -1.466 -0.783) 4.496 3.697 ( 6.460 -0.400 2.234) 6.847 3.824 ( -0.754 2.137 0.409) 2.302 3.835 ( -2.649 2.825 0.709) 3.937 3.917 ( -2.752 2.061 1.948) 3.952 3.983 ( 1.639 1.669 -1.845) 2.980 4.042 ( 1.149 2.067 3.881) 4.545 4.099 ( -0.174 2.650 0.243) 2.666 4.145 ( -1.488 -0.363 -1.036) 1.849 4.165 ( 0.075 2.105 2.098) 2.973 4.190 ( 2.106 2.263 -0.763) 3.184 4.245 ( 1.329 -2.100 0.617) 2.560 4.261 ( 0.461 0.385 0.333) 0.687 4.341 ( -1.358 -0.584 0.124) 1.483 4.343 ( 1.083 1.926 0.706) 2.320 4.359 ( -1.239 0.218 -2.984) 3.239 4.364 ( 0.628 0.221 -2.292) 2.386 4.416 ( -1.536 -0.833 -1.746) 2.470 4.434 ( -2.617 0.282 1.458) 3.009 4.528 ( 1.981 0.206 0.291) 2.012 4.560 ( -1.808 0.519 -1.636) 2.493 4.601 ( -1.607 -1.963 -1.019) 2.734 4.636 ( -1.081 1.864 -0.887) 2.330 4.655 ( -2.489 -0.534 -1.002) 2.736 4.686 ( 1.507 1.290 -0.866) 2.164 4.750 ( -0.918 -0.517 -0.586) 1.206 4.804 ( -4.251 -2.150 -1.003) 4.868 4.852 ( -3.674 -1.968 -1.023) 4.291 4.884 ( 1.212 -2.690 -0.826) 3.064 4.965 ( 0.013 -1.896 1.365) 2.336 5.006 ( 0.298 -1.026 0.455) 1.161 5.061 ( 0.701 0.373 -0.207) 0.821 5.088 ( -0.775 -0.443 -0.614) 1.084 5.148 ( -2.086 -4.514 -0.241) 4.978 5.209 ( 0.918 -4.437 1.273) 4.706 5.253 ( -1.050 -2.575 1.467) 3.144 5.265 ( 0.030 -0.041 -3.614) 3.614 5.430 ( 1.838 -0.596 0.579) 2.017 5.451 ( -1.105 -2.911 2.183) 3.802 5.517 ( 2.003 -2.581 -0.367) 3.288 5.618 ( 1.957 -2.580 -0.915) 3.365 5.740 ( 3.730 -0.096 1.467) 4.009 6.149 ( -1.816 0.465 -0.999) 2.124 6.228 ( -0.180 0.803 0.413) 0.920 12.222 ( -0.088 -0.258 -0.687) 0.739 12.289 ( 0.493 0.268 1.704) 1.794 13.453 ( -1.816 -2.091 -5.288) 5.970 13.877 ( 2.003 -6.065 2.381) 6.817 14.262 ( 1.929 3.897 0.149) 4.351 14.493 ( -3.057 -0.624 -0.495) 3.159 14.651 ( -2.491 -1.844 -0.164) 3.104 14.790 ( 1.235 3.030 0.298) 3.286 16.029 ( -1.400 5.322 -3.198) 6.365 16.899 ( 6.345 -10.278 8.134) 14.562 17.125 ( -0.671 1.276 -3.295) 3.597 17.408 ( 4.943 7.273 4.052) 9.683 ======================= Grid point 13 (10/60) ======================= q-point: (-0.14 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 18.911 -0.000) 18.911 0.620 ( 0.000 20.938 -0.000) 20.938 1.028 ( 0.000 31.315 -0.000) 31.315 1.283 ( 0.000 7.377 -0.000) 7.377 1.359 ( 0.000 8.373 -0.000) 8.373 1.468 ( 0.000 9.412 -0.000) 9.412 1.639 ( 0.000 4.776 -0.000) 4.776 1.801 ( 0.000 2.912 -0.000) 2.912 1.944 ( -0.000 -0.424 0.000) 0.424 1.966 ( -0.000 -0.080 0.000) 0.080 2.099 ( 0.000 5.360 -0.000) 5.360 2.173 ( 0.000 4.269 -0.000) 4.269 2.224 ( -0.000 -2.011 0.000) 2.011 2.282 ( 0.000 3.655 -0.000) 3.655 2.438 ( -0.000 -3.908 0.000) 3.908 2.445 ( 0.000 5.022 -0.000) 5.022 2.710 ( -0.000 -5.456 0.000) 5.456 2.737 ( -0.000 -5.000 0.000) 5.000 2.743 ( -0.000 -1.692 0.000) 1.692 2.832 ( 0.000 5.581 -0.000) 5.581 2.865 ( 0.000 2.931 -0.000) 2.931 2.871 ( 0.000 1.979 -0.000) 1.979 2.996 ( -0.000 -0.740 0.000) 0.740 3.002 ( -0.000 -5.673 0.000) 5.673 3.073 ( 0.000 0.384 -0.000) 0.384 3.241 ( 0.000 4.808 -0.000) 4.808 3.452 ( -0.000 -1.799 0.000) 1.799 3.571 ( -0.000 -0.923 0.000) 0.923 3.613 ( -0.000 -0.303 0.000) 0.303 3.745 ( 0.000 3.029 -0.000) 3.029 3.766 ( 0.000 3.243 -0.000) 3.243 3.800 ( 0.000 0.233 -0.000) 0.233 3.810 ( 0.000 4.990 -0.000) 4.990 3.913 ( 0.000 8.660 -0.000) 8.660 4.035 ( 0.000 3.788 -0.000) 3.788 4.100 ( 0.000 2.597 -0.000) 2.597 4.128 ( -0.000 -2.427 0.000) 2.427 4.172 ( -0.000 -1.218 0.000) 1.218 4.179 ( -0.000 -0.360 0.000) 0.360 4.247 ( 0.000 4.231 -0.000) 4.231 4.254 ( -0.000 -0.874 0.000) 0.874 4.295 ( -0.000 -0.988 0.000) 0.988 4.321 ( 0.000 0.226 -0.000) 0.226 4.360 ( 0.000 0.580 -0.000) 0.580 4.393 ( -0.000 -0.639 0.000) 0.639 4.398 ( -0.000 -1.340 0.000) 1.340 4.434 ( -0.000 -0.784 0.000) 0.784 4.482 ( 0.000 1.661 -0.000) 1.661 4.571 ( -0.000 -0.718 0.000) 0.718 4.596 ( 0.000 1.591 -0.000) 1.591 4.632 ( -0.000 -1.475 0.000) 1.475 4.648 ( -0.000 -0.838 0.000) 0.838 4.720 ( -0.000 -3.557 0.000) 3.557 4.721 ( 0.000 1.322 -0.000) 1.322 4.829 ( -0.000 -4.377 0.000) 4.377 4.864 ( -0.000 -3.021 0.000) 3.021 4.933 ( -0.000 -3.453 0.000) 3.453 4.995 ( -0.000 -1.329 0.000) 1.329 5.023 ( -0.000 -1.224 0.000) 1.224 5.051 ( 0.000 0.718 -0.000) 0.718 5.084 ( -0.000 -0.349 0.000) 0.349 5.200 ( -0.000 -2.050 0.000) 2.050 5.232 ( 0.000 1.369 -0.000) 1.369 5.264 ( -0.000 -1.319 0.000) 1.319 5.343 ( -0.000 -8.642 0.000) 8.642 5.448 ( -0.000 -0.138 0.000) 0.138 5.507 ( -0.000 -4.216 0.000) 4.216 5.563 ( -0.000 -2.250 0.000) 2.250 5.680 ( -0.000 -4.373 0.000) 4.373 5.763 ( 0.000 1.093 -0.000) 1.093 6.108 ( 0.000 3.046 -0.000) 3.046 6.206 ( 0.000 2.064 -0.000) 2.064 12.225 ( -0.000 -0.476 0.000) 0.476 12.297 ( -0.000 -0.110 0.000) 0.110 13.458 ( -0.000 -2.840 0.000) 2.840 13.973 ( -0.000 -3.611 0.000) 3.611 14.219 ( 0.000 3.720 -0.000) 3.720 14.534 ( -0.000 -8.012 0.000) 8.012 14.659 ( -0.000 -2.348 0.000) 2.348 14.779 ( -0.000 -0.055 0.000) 0.055 15.888 ( 0.000 10.976 -0.000) 10.976 17.075 ( 0.000 -0.448 0.000) 0.448 17.075 ( 0.000 1.048 0.000) 1.048 17.394 ( 0.000 3.227 -0.000) 3.227 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 9.577 -0.000 7.239) 12.005 1.137 ( 8.203 -0.000 22.139) 23.610 1.429 ( 6.556 -0.000 -1.397) 6.704 1.488 ( 11.100 -0.000 -7.672) 13.493 1.583 ( -1.690 0.000 6.714) 6.923 1.701 ( 9.173 -0.000 -2.706) 9.564 1.819 ( 1.488 -0.000 -3.114) 3.451 1.862 ( 7.181 -0.000 0.238) 7.185 1.873 ( -6.349 0.000 -4.169) 7.595 1.997 ( 7.985 -0.000 -5.740) 9.834 2.041 ( 19.731 -0.000 4.123) 20.157 2.124 ( -0.965 0.000 4.993) 5.086 2.226 ( -4.291 0.000 7.107) 8.302 2.262 ( -3.540 0.000 4.244) 5.526 2.286 ( 1.641 -0.000 -0.422) 1.694 2.317 ( -3.635 0.000 -2.369) 4.339 2.516 ( 0.774 -0.000 -8.516) 8.551 2.636 ( 2.976 -0.000 0.286) 2.990 2.824 ( -0.882 0.000 6.078) 6.141 2.847 ( 6.338 -0.000 -2.843) 6.946 2.956 ( -0.062 0.000 -0.477) 0.481 2.979 ( 5.165 -0.000 1.581) 5.401 3.075 ( 5.040 -0.000 -2.120) 5.467 3.099 ( 0.465 -0.000 -4.871) 4.893 3.192 ( -1.002 0.000 -5.428) 5.520 3.209 ( 2.683 -0.000 -1.410) 3.031 3.295 ( 0.638 -0.000 1.675) 1.792 3.444 ( 3.068 -0.000 2.521) 3.971 3.511 ( 4.651 -0.000 -6.256) 7.796 3.571 ( -1.735 0.000 -6.464) 6.693 3.677 ( -2.226 0.000 -0.991) 2.437 3.703 ( -3.532 0.000 -1.257) 3.749 3.932 ( 4.210 -0.000 -0.714) 4.270 4.008 ( -2.428 0.000 -1.680) 2.953 4.086 ( 3.716 -0.000 -1.329) 3.946 4.104 ( 3.622 -0.000 3.426) 4.985 4.145 ( 0.427 -0.000 0.768) 0.879 4.157 ( 0.872 -0.000 1.588) 1.811 4.212 ( -2.747 0.000 -0.268) 2.760 4.246 ( -1.172 0.000 3.573) 3.761 4.324 ( 1.320 -0.000 -2.273) 2.629 4.357 ( 1.714 -0.000 2.583) 3.100 4.379 ( 2.704 -0.000 -1.142) 2.935 4.403 ( 2.659 -0.000 -1.576) 3.091 4.455 ( -1.392 0.000 1.562) 2.093 4.486 ( 2.469 -0.000 1.673) 2.983 4.507 ( -2.917 0.000 3.319) 4.418 4.546 ( -0.244 0.000 -1.976) 1.991 4.561 ( 3.997 -0.000 -2.512) 4.721 4.666 ( 0.007 -0.000 2.125) 2.125 4.719 ( -2.905 0.000 2.884) 4.094 4.746 ( -1.062 0.000 -0.690) 1.266 4.768 ( 1.276 -0.000 4.694) 4.865 4.812 ( -4.996 0.000 -0.398) 5.012 4.839 ( -1.725 0.000 -4.373) 4.701 4.852 ( -1.867 0.000 0.395) 1.909 4.992 ( -1.714 0.000 -2.583) 3.100 5.000 ( -2.225 0.000 -0.377) 2.257 5.054 ( -2.699 0.000 1.903) 3.303 5.065 ( -0.115 0.000 1.350) 1.355 5.105 ( -0.429 0.000 -1.308) 1.376 5.146 ( -0.787 0.000 2.905) 3.010 5.246 ( -2.323 0.000 -3.133) 3.900 5.268 ( -3.097 0.000 3.531) 4.697 5.316 ( 0.120 -0.000 0.550) 0.563 5.354 ( -4.614 0.000 -2.578) 5.286 5.384 ( -4.946 0.000 -1.785) 5.258 5.482 ( -3.582 0.000 -1.496) 3.882 5.543 ( -4.532 0.000 2.177) 5.028 5.643 ( 1.135 -0.000 2.743) 2.968 6.106 ( 0.656 -0.000 2.069) 2.171 6.115 ( -1.212 0.000 -2.474) 2.755 12.230 ( -0.545 0.000 -1.602) 1.692 12.258 ( 0.841 -0.000 1.778) 1.966 13.731 ( -4.262 0.000 9.384) 10.306 13.754 ( -6.440 0.000 -9.255) 11.275 14.442 ( -1.342 0.000 3.995) 4.214 14.682 ( 0.111 -0.000 1.655) 1.659 14.835 ( 3.060 -0.000 -9.386) 9.872 15.002 ( 4.422 -0.000 3.663) 5.742 15.758 ( -1.073 0.000 1.634) 1.954 15.944 ( 5.213 -0.000 -1.124) 5.333 17.037 ( 1.758 -0.000 -2.665) 3.193 17.271 ( 6.420 -0.000 2.262) 6.807 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 2.119 -5.316 5.927) 8.239 1.325 ( 2.736 -0.697 8.207) 8.679 1.465 ( 9.933 4.534 -1.066) 10.971 1.580 ( 1.938 2.860 7.187) 7.974 1.653 ( 6.008 -8.211 -3.012) 10.611 1.718 ( 0.319 2.318 -6.730) 7.125 1.769 ( 5.202 3.950 0.261) 6.537 1.828 ( -4.225 1.103 0.459) 4.390 1.971 ( 2.647 -3.035 1.615) 4.339 2.042 ( 3.365 1.915 -5.820) 6.990 2.087 ( 2.618 3.668 1.597) 4.781 2.195 ( 0.633 -0.570 0.139) 0.863 2.244 ( -1.209 -1.370 7.754) 7.966 2.272 ( -2.345 -1.864 1.851) 3.521 2.307 ( 1.220 -2.967 1.451) 3.521 2.415 ( 7.076 -5.575 -0.226) 9.011 2.496 ( -0.732 -2.197 -5.465) 5.936 2.675 ( 7.040 3.260 -1.193) 7.849 2.858 ( -0.020 -0.390 6.227) 6.239 2.892 ( 3.911 -0.297 -4.863) 6.247 2.941 ( -0.402 1.765 1.982) 2.684 3.015 ( 0.526 2.283 -2.908) 3.734 3.065 ( 0.839 1.013 3.084) 3.353 3.110 ( -2.021 2.489 -3.242) 4.560 3.134 ( 3.187 -0.220 -4.359) 5.404 3.241 ( 0.160 -1.215 -2.304) 2.610 3.354 ( 5.917 0.240 1.428) 6.091 3.509 ( 4.185 0.709 -0.251) 4.252 3.530 ( 4.388 0.878 -7.896) 9.076 3.557 ( 4.830 -0.956 0.473) 4.946 3.661 ( -1.788 -4.009 -1.311) 4.581 3.719 ( -0.115 -5.484 0.307) 5.494 3.963 ( -2.901 -0.108 -1.449) 3.245 3.975 ( 2.704 0.542 1.193) 3.005 4.099 ( -1.974 0.038 -1.210) 2.315 4.113 ( -1.583 -0.688 -0.250) 1.744 4.155 ( 2.256 1.574 1.651) 3.209 4.182 ( 0.565 0.818 1.171) 1.536 4.202 ( 1.276 -0.814 0.608) 1.631 4.245 ( -1.080 0.774 5.024) 5.197 4.315 ( 2.030 1.958 -1.881) 3.390 4.378 ( 1.574 0.907 -0.685) 1.941 4.405 ( 0.703 -0.430 0.106) 0.831 4.426 ( 3.104 1.097 -3.861) 5.074 4.436 ( -0.785 1.120 1.361) 1.929 4.482 ( -0.946 1.724 0.551) 2.042 4.498 ( -2.001 1.200 1.305) 2.673 4.518 ( -0.191 1.234 0.041) 1.249 4.585 ( 1.753 0.797 -0.768) 2.073 4.658 ( -0.998 1.014 1.417) 2.008 4.688 ( -3.871 1.362 2.938) 5.047 4.702 ( -2.476 0.787 -0.304) 2.616 4.755 ( -2.518 0.040 -0.423) 2.553 4.786 ( -2.496 1.756 -1.249) 3.297 4.805 ( 0.305 -0.516 -0.052) 0.602 4.844 ( -0.155 -0.905 0.550) 1.070 4.942 ( -1.607 1.947 -2.060) 3.258 4.979 ( -1.905 -1.361 0.206) 2.350 5.012 ( -2.249 1.807 1.442) 3.226 5.054 ( -1.355 1.093 1.032) 2.024 5.108 ( -0.309 -0.002 -0.068) 0.316 5.140 ( -2.176 0.864 0.750) 2.458 5.197 ( -2.208 -0.198 -3.434) 4.087 5.241 ( -2.695 1.461 2.992) 4.284 5.279 ( -1.108 0.212 -2.094) 2.378 5.327 ( -2.459 -2.275 -1.026) 3.503 5.355 ( -0.750 -0.957 2.781) 3.035 5.456 ( -1.460 -1.324 -0.886) 2.161 5.507 ( -1.847 -0.741 -0.319) 2.015 5.675 ( 3.044 0.706 2.913) 4.272 6.099 ( -1.813 -2.109 -2.404) 3.676 6.141 ( -0.276 -3.006 0.911) 3.153 12.218 ( 0.074 0.097 -1.032) 1.039 12.280 ( 0.907 0.009 1.669) 1.899 13.601 ( -5.184 3.528 -6.306) 8.893 13.732 ( -3.162 -0.773 5.063) 6.020 14.428 ( 0.767 3.121 2.592) 4.129 14.683 ( -0.199 1.886 2.501) 3.138 14.745 ( 2.850 7.834 -5.636) 10.063 15.049 ( 1.083 4.105 1.352) 4.456 15.793 ( 0.198 -7.742 -1.157) 7.830 16.131 ( 2.021 -15.323 2.087) 15.596 17.066 ( 0.993 -2.836 -2.340) 3.809 17.375 ( 5.203 -2.154 2.046) 5.991 ======================= Grid point 18 (13/60) ======================= q-point: (-0.43 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.127 3.169 0.466) 3.396 1.292 ( 1.778 8.305 -0.129) 8.494 1.539 ( 3.804 0.029 -0.363) 3.821 1.603 ( 2.688 4.292 4.663) 6.884 1.658 ( -4.692 0.085 -2.386) 5.265 1.715 ( -0.698 4.679 1.207) 4.882 1.800 ( 6.328 2.170 0.051) 6.690 1.840 ( 4.171 -4.434 0.516) 6.110 1.991 ( -0.466 1.986 1.015) 2.278 2.052 ( 1.554 0.179 0.390) 1.612 2.094 ( 1.017 -1.270 0.009) 1.627 2.196 ( -0.099 1.405 -1.559) 2.101 2.243 ( 0.314 1.107 -2.331) 2.600 2.322 ( 0.422 -1.518 1.019) 1.876 2.350 ( -3.512 -3.482 6.026) 7.796 2.451 ( -1.630 -4.424 -1.905) 5.085 2.555 ( 0.157 -4.430 -0.737) 4.493 2.690 ( 6.533 5.510 -2.591) 8.930 2.854 ( -3.915 4.025 4.733) 7.344 2.864 ( 0.009 3.216 -1.060) 3.387 2.927 ( -1.723 2.495 -2.561) 3.969 3.003 ( 2.352 -1.718 -5.140) 5.908 3.005 ( -1.248 2.609 0.124) 2.894 3.082 ( -0.906 0.780 3.350) 3.557 3.121 ( 2.511 5.203 0.087) 5.778 3.303 ( 2.201 -5.551 0.239) 5.976 3.405 ( 3.597 1.599 0.948) 4.049 3.509 ( 2.224 2.856 -2.599) 4.456 3.557 ( 4.829 0.434 -2.820) 5.609 3.657 ( 4.108 -2.807 3.069) 5.845 3.733 ( -0.114 -6.925 -1.945) 7.194 3.819 ( 2.188 -3.276 0.544) 3.977 3.939 ( -1.055 -1.746 -0.918) 2.237 3.989 ( -0.199 0.914 0.928) 1.318 4.065 ( -2.431 -2.008 -0.913) 3.283 4.137 ( 2.323 -1.910 0.003) 3.007 4.149 ( -0.359 1.618 -0.692) 1.796 4.191 ( 0.785 1.789 4.483) 4.890 4.225 ( 2.751 0.219 1.641) 3.211 4.265 ( 2.527 0.697 2.642) 3.722 4.302 ( 0.303 0.079 -3.847) 3.860 4.354 ( 0.208 2.930 -1.815) 3.452 4.369 ( -1.606 4.410 -2.512) 5.324 4.407 ( -0.536 0.664 -0.727) 1.121 4.422 ( -0.546 2.565 1.237) 2.899 4.429 ( -1.359 1.178 -1.873) 2.597 4.449 ( -3.586 1.385 1.966) 4.317 4.530 ( 2.032 -0.554 0.982) 2.324 4.569 ( -1.557 0.825 0.740) 1.911 4.615 ( -1.841 2.880 2.097) 4.011 4.665 ( -2.547 0.526 1.515) 3.010 4.674 ( -0.301 -0.248 -2.599) 2.628 4.696 ( -1.175 0.726 -2.430) 2.796 4.726 ( -3.003 1.033 0.944) 3.313 4.813 ( -0.030 -0.874 -1.419) 1.667 4.876 ( 0.767 3.188 0.760) 3.366 4.900 ( 1.944 -1.383 0.432) 2.424 4.953 ( -2.421 4.938 -0.060) 5.500 4.972 ( -2.049 -1.236 -0.462) 2.437 5.027 ( 0.162 0.849 0.019) 0.864 5.088 ( -1.280 0.042 -0.309) 1.318 5.089 ( -2.227 0.220 0.972) 2.439 5.157 ( -2.587 0.446 -1.736) 3.147 5.224 ( -0.253 -0.233 2.471) 2.495 5.264 ( -0.678 -0.389 -2.593) 2.708 5.355 ( -0.425 -3.968 0.288) 4.001 5.393 ( 0.290 -1.981 2.670) 3.337 5.462 ( 0.615 -1.032 -0.961) 1.538 5.530 ( 0.244 -3.606 -0.646) 3.671 5.726 ( 2.922 -0.341 1.897) 3.500 6.102 ( -1.766 -2.848 -1.461) 3.656 6.187 ( -0.370 -3.272 0.368) 3.313 12.216 ( 0.103 -0.116 -0.542) 0.564 12.295 ( 0.560 0.182 1.174) 1.313 13.478 ( -2.379 2.960 -3.539) 5.191 13.743 ( -1.116 -2.302 2.327) 3.458 14.399 ( 1.298 4.272 1.033) 4.583 14.619 ( -0.127 7.410 -0.303) 7.417 14.673 ( 0.692 3.090 -0.614) 3.226 14.960 ( 0.058 7.930 0.319) 7.937 15.927 ( -0.219 -10.136 -2.235) 10.381 16.421 ( 1.249 -19.750 3.366) 20.074 17.103 ( 0.087 -2.546 -1.755) 3.093 17.469 ( 3.087 -1.787 1.596) 3.908 ======================= Grid point 19 (14/60) ======================= q-point: (-0.29 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 13.325 -0.000) 13.325 1.153 ( 0.000 14.547 -0.000) 14.547 1.489 ( 0.000 6.018 -0.000) 6.018 1.535 ( 0.000 5.941 -0.000) 5.941 1.640 ( 0.000 2.480 -0.000) 2.480 1.654 ( 0.000 6.152 -0.000) 6.152 1.834 ( 0.000 7.119 -0.000) 7.119 1.857 ( -0.000 -3.047 0.000) 3.047 1.931 ( 0.000 5.384 -0.000) 5.384 2.033 ( 0.000 4.619 -0.000) 4.619 2.127 ( -0.000 -2.185 0.000) 2.185 2.174 ( -0.000 -0.379 0.000) 0.379 2.239 ( -0.000 -0.738 0.000) 0.738 2.326 ( -0.000 -0.365 0.000) 0.365 2.432 ( -0.000 -9.371 0.000) 9.371 2.544 ( -0.000 -7.132 0.000) 7.132 2.584 ( 0.000 0.650 -0.000) 0.650 2.621 ( 0.000 10.878 -0.000) 10.878 2.758 ( 0.000 3.523 -0.000) 3.523 2.834 ( -0.000 -1.333 0.000) 1.333 2.904 ( -0.000 -2.771 0.000) 2.771 2.947 ( 0.000 2.137 -0.000) 2.137 2.992 ( 0.000 4.348 -0.000) 4.348 3.053 ( 0.000 7.475 -0.000) 7.475 3.091 ( -0.000 -0.496 0.000) 0.496 3.364 ( 0.000 0.780 -0.000) 0.780 3.423 ( -0.000 -0.534 0.000) 0.534 3.497 ( -0.000 -1.405 0.000) 1.405 3.586 ( -0.000 -0.557 0.000) 0.557 3.765 ( -0.000 -2.401 0.000) 2.401 3.766 ( -0.000 -2.780 0.000) 2.780 3.844 ( 0.000 0.365 -0.000) 0.365 3.952 ( 0.000 3.892 -0.000) 3.892 3.991 ( -0.000 -4.169 0.000) 4.169 4.090 ( -0.000 -1.339 0.000) 1.339 4.110 ( 0.000 1.201 -0.000) 1.201 4.170 ( 0.000 6.497 -0.000) 6.497 4.175 ( -0.000 -2.650 0.000) 2.650 4.241 ( 0.000 3.012 -0.000) 3.012 4.264 ( 0.000 5.649 -0.000) 5.649 4.282 ( 0.000 0.087 -0.000) 0.087 4.322 ( -0.000 -0.261 0.000) 0.261 4.332 ( -0.000 -2.790 0.000) 2.790 4.388 ( 0.000 1.237 -0.000) 1.237 4.391 ( 0.000 2.561 -0.000) 2.561 4.396 ( -0.000 -2.276 0.000) 2.276 4.402 ( 0.000 2.048 -0.000) 2.048 4.541 ( 0.000 1.840 -0.000) 1.840 4.568 ( 0.000 0.773 -0.000) 0.773 4.583 ( -0.000 -0.708 0.000) 0.708 4.619 ( 0.000 0.226 -0.000) 0.226 4.638 ( 0.000 1.479 -0.000) 1.479 4.708 ( -0.000 -0.688 0.000) 0.688 4.728 ( -0.000 -1.797 0.000) 1.797 4.786 ( 0.000 2.855 -0.000) 2.855 4.837 ( 0.000 5.148 -0.000) 5.148 4.861 ( -0.000 -0.855 0.000) 0.855 4.946 ( -0.000 -1.311 0.000) 1.311 4.992 ( -0.000 -2.175 0.000) 2.175 5.044 ( -0.000 -3.888 0.000) 3.888 5.074 ( -0.000 -0.062 0.000) 0.062 5.087 ( 0.000 0.331 -0.000) 0.331 5.147 ( -0.000 -3.178 0.000) 3.178 5.242 ( -0.000 -0.572 0.000) 0.572 5.250 ( -0.000 -0.067 0.000) 0.067 5.407 ( -0.000 -3.133 0.000) 3.133 5.430 ( -0.000 -1.573 0.000) 1.573 5.491 ( -0.000 -2.387 0.000) 2.387 5.584 ( -0.000 -3.408 0.000) 3.408 5.761 ( -0.000 -0.754 0.000) 0.754 6.121 ( -0.000 -1.889 0.000) 1.889 6.222 ( -0.000 -1.581 0.000) 1.581 12.217 ( -0.000 -0.132 0.000) 0.132 12.300 ( 0.000 0.163 -0.000) 0.163 13.424 ( 0.000 1.110 -0.000) 1.110 13.802 ( -0.000 -5.699 0.000) 5.699 14.347 ( 0.000 4.760 -0.000) 4.760 14.511 ( 0.000 6.042 -0.000) 6.042 14.641 ( 0.000 1.528 -0.000) 1.528 14.861 ( 0.000 5.787 -0.000) 5.787 16.023 ( -0.000 -3.815 0.000) 3.815 16.729 ( -0.000 -19.092 0.000) 19.092 17.119 ( -0.000 -0.429 0.000) 0.429 17.502 ( 0.000 1.088 -0.000) 1.088 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.43 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.856 0.000 2.434) 2.580 1.394 ( 1.621 -0.000 5.610) 5.839 1.568 ( -1.952 0.000 -6.795) 7.070 1.589 ( 3.612 -0.000 -0.294) 3.624 1.681 ( 5.076 -0.000 3.225) 6.014 1.738 ( -0.104 0.000 6.904) 6.905 1.788 ( 3.611 -0.000 -3.123) 4.774 1.958 ( 7.919 -0.000 -1.116) 7.998 1.970 ( -0.241 0.000 4.788) 4.794 2.035 ( -0.216 0.000 -7.445) 7.448 2.142 ( -5.252 0.000 3.881) 6.530 2.186 ( -2.175 0.000 4.972) 5.427 2.232 ( 0.699 -0.000 1.903) 2.027 2.266 ( 7.198 -0.000 -3.439) 7.977 2.307 ( 1.591 -0.000 -2.210) 2.723 2.437 ( -3.457 0.000 -2.893) 4.508 2.453 ( 2.528 -0.000 1.065) 2.743 2.798 ( 6.175 -0.000 -0.545) 6.199 2.861 ( -1.934 0.000 -1.158) 2.255 2.900 ( 1.811 -0.000 4.283) 4.651 2.956 ( 2.352 -0.000 -4.061) 4.692 3.025 ( -3.956 0.000 1.580) 4.260 3.098 ( 0.607 -0.000 -3.697) 3.746 3.102 ( 1.398 -0.000 4.785) 4.985 3.162 ( 3.825 -0.000 -1.402) 4.073 3.219 ( -1.317 0.000 -2.729) 3.030 3.458 ( 6.439 -0.000 1.042) 6.523 3.517 ( 2.011 -0.000 -4.883) 5.281 3.539 ( -0.489 0.000 -1.451) 1.531 3.599 ( 3.997 -0.000 -2.117) 4.523 3.645 ( 1.481 -0.000 -0.474) 1.555 3.734 ( 8.530 -0.000 3.645) 9.276 3.903 ( -4.561 0.000 -0.730) 4.619 3.980 ( -3.647 0.000 1.410) 3.910 4.061 ( -5.376 0.000 -1.159) 5.500 4.092 ( 4.223 -0.000 -1.960) 4.656 4.180 ( -0.284 0.000 -0.478) 0.556 4.196 ( -0.866 0.000 1.268) 1.535 4.232 ( 3.871 -0.000 1.074) 4.017 4.281 ( 0.367 -0.000 5.525) 5.537 4.335 ( -3.348 0.000 -1.336) 3.605 4.356 ( 1.719 -0.000 -1.135) 2.059 4.423 ( 1.544 -0.000 -2.606) 3.029 4.441 ( -2.345 0.000 -0.770) 2.468 4.461 ( 0.743 -0.000 0.501) 0.896 4.466 ( -0.474 0.000 0.463) 0.662 4.482 ( -2.442 0.000 2.446) 3.456 4.536 ( -0.052 0.000 -0.884) 0.886 4.602 ( 0.549 -0.000 -1.564) 1.658 4.653 ( -1.137 0.000 0.628) 1.299 4.674 ( -0.444 0.000 -1.829) 1.882 4.708 ( -2.721 0.000 -0.438) 2.756 4.710 ( -0.095 0.000 5.296) 5.296 4.755 ( -2.980 0.000 -0.950) 3.128 4.814 ( -0.398 0.000 -2.625) 2.655 4.854 ( 3.038 -0.000 1.451) 3.367 4.921 ( -2.019 0.000 -0.478) 2.074 4.973 ( 1.655 -0.000 0.462) 1.718 4.993 ( -3.322 0.000 0.564) 3.370 5.046 ( -0.487 0.000 -0.359) 0.605 5.129 ( -3.176 0.000 0.370) 3.197 5.137 ( 1.721 -0.000 1.959) 2.608 5.149 ( -1.045 0.000 -1.675) 1.974 5.232 ( -3.455 0.000 -2.639) 4.348 5.238 ( -1.831 0.000 2.064) 2.759 5.278 ( -0.420 0.000 -0.703) 0.819 5.362 ( 0.348 -0.000 1.938) 1.969 5.428 ( -0.603 0.000 -0.133) 0.618 5.479 ( -0.900 0.000 -0.904) 1.276 5.727 ( 2.187 -0.000 2.105) 3.036 6.049 ( -1.498 0.000 -1.942) 2.452 6.117 ( -0.315 0.000 0.403) 0.511 12.216 ( 0.121 -0.000 -0.507) 0.521 12.300 ( 0.774 -0.000 1.091) 1.337 13.538 ( -3.520 0.000 -4.072) 5.383 13.718 ( -1.691 0.000 2.898) 3.356 14.462 ( 0.040 -0.000 1.488) 1.489 14.721 ( 0.618 -0.000 3.841) 3.891 14.791 ( 0.240 -0.000 -6.349) 6.353 15.111 ( 1.823 -0.000 1.346) 2.266 15.733 ( -1.262 0.000 0.587) 1.392 16.046 ( 2.370 -0.000 0.488) 2.420 17.047 ( 0.694 -0.000 -1.265) 1.443 17.419 ( 3.044 -0.000 1.071) 3.227 ======================= Grid point 25 (16/60) ======================= q-point: (-0.43 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.000 -5.024 0.000) 5.024 1.384 ( 0.000 4.627 -0.000) 4.627 1.559 ( -0.000 -3.099 0.000) 3.099 1.620 ( -0.000 -0.717 0.000) 0.717 1.707 ( 0.000 5.530 -0.000) 5.530 1.728 ( 0.000 0.418 -0.000) 0.418 1.834 ( -0.000 -2.396 0.000) 2.396 1.898 ( 0.000 5.431 -0.000) 5.431 2.016 ( 0.000 0.296 -0.000) 0.296 2.055 ( -0.000 -1.681 0.000) 1.681 2.093 ( 0.000 1.477 -0.000) 1.477 2.219 ( -0.000 -3.449 0.000) 3.449 2.229 ( 0.000 1.428 -0.000) 1.428 2.316 ( -0.000 -0.624 0.000) 0.624 2.347 ( 0.000 1.827 -0.000) 1.827 2.362 ( -0.000 -2.187 0.000) 2.187 2.496 ( -0.000 -3.478 0.000) 3.478 2.772 ( 0.000 3.277 -0.000) 3.277 2.904 ( 0.000 2.637 -0.000) 2.637 2.931 ( -0.000 -6.337 0.000) 6.337 2.942 ( 0.000 6.630 -0.000) 6.630 2.954 ( 0.000 1.963 -0.000) 1.963 3.046 ( 0.000 4.727 -0.000) 4.727 3.114 ( 0.000 1.913 -0.000) 1.913 3.186 ( 0.000 1.084 -0.000) 1.084 3.243 ( -0.000 -5.098 0.000) 5.098 3.476 ( 0.000 3.042 -0.000) 3.042 3.529 ( -0.000 -0.766 0.000) 0.766 3.559 ( -0.000 -2.932 0.000) 2.932 3.643 ( -0.000 -2.416 0.000) 2.416 3.671 ( -0.000 -1.983 0.000) 1.983 3.825 ( -0.000 -0.659 0.000) 0.659 3.885 ( -0.000 -2.631 0.000) 2.631 3.962 ( -0.000 -1.552 0.000) 1.552 4.018 ( -0.000 -1.523 0.000) 1.523 4.143 ( -0.000 -0.550 0.000) 0.550 4.169 ( 0.000 0.981 -0.000) 0.981 4.197 ( -0.000 -2.457 0.000) 2.457 4.274 ( 0.000 0.935 -0.000) 0.935 4.281 ( 0.000 0.807 -0.000) 0.807 4.298 ( 0.000 0.441 -0.000) 0.441 4.367 ( 0.000 3.100 -0.000) 3.100 4.368 ( -0.000 -0.590 0.000) 0.590 4.427 ( 0.000 2.500 -0.000) 2.500 4.445 ( 0.000 0.969 -0.000) 0.969 4.460 ( 0.000 1.598 -0.000) 1.598 4.475 ( 0.000 3.201 -0.000) 3.201 4.528 ( -0.000 -1.145 0.000) 1.145 4.579 ( 0.000 1.895 -0.000) 1.895 4.654 ( -0.000 -0.732 0.000) 0.732 4.670 ( 0.000 1.442 -0.000) 1.442 4.676 ( 0.000 1.540 -0.000) 1.540 4.697 ( 0.000 2.517 -0.000) 2.517 4.715 ( 0.000 1.896 -0.000) 1.896 4.803 ( -0.000 -0.466 0.000) 0.466 4.902 ( -0.000 -1.683 0.000) 1.683 4.915 ( -0.000 -0.883 0.000) 0.883 4.962 ( 0.000 3.557 -0.000) 3.557 4.971 ( -0.000 -0.008 0.000) 0.008 5.043 ( 0.000 0.437 -0.000) 0.437 5.087 ( 0.000 1.667 -0.000) 1.667 5.105 ( 0.000 2.849 -0.000) 2.849 5.148 ( 0.000 1.582 -0.000) 1.582 5.216 ( -0.000 -1.778 0.000) 1.778 5.241 ( -0.000 -0.851 0.000) 0.851 5.299 ( -0.000 -3.211 0.000) 3.211 5.377 ( -0.000 -1.096 0.000) 1.096 5.443 ( -0.000 -1.925 0.000) 1.925 5.482 ( -0.000 -1.982 0.000) 1.982 5.748 ( -0.000 -0.042 0.000) 0.042 6.048 ( -0.000 -2.045 0.000) 2.045 6.138 ( -0.000 -2.856 0.000) 2.856 12.215 ( 0.000 0.024 -0.000) 0.024 12.306 ( 0.000 0.248 -0.000) 0.248 13.489 ( 0.000 2.057 -0.000) 2.057 13.719 ( -0.000 -0.776 0.000) 0.776 14.452 ( 0.000 1.987 -0.000) 1.987 14.722 ( 0.000 2.804 -0.000) 2.804 14.723 ( 0.000 5.791 -0.000) 5.791 15.071 ( 0.000 6.808 -0.000) 6.808 15.786 ( -0.000 -7.813 0.000) 7.813 16.177 ( -0.000 -14.684 0.000) 14.684 17.065 ( -0.000 -2.130 0.000) 2.130 17.459 ( -0.000 -2.240 0.000) 2.240 ======================= Grid point 49 (17/60) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -10.380 0.000 17.749) 20.562 0.421 ( 1.445 -0.000 18.483) 18.539 0.951 ( 2.808 -0.000 41.471) 41.566 1.034 ( 8.345 -0.000 -9.243) 12.453 1.114 ( 0.117 -0.000 -11.127) 11.128 1.300 ( -4.445 0.000 3.753) 5.817 1.519 ( 2.879 -0.000 -3.953) 4.890 1.799 ( 0.961 -0.000 2.424) 2.608 1.934 ( -3.559 0.000 -0.004) 3.559 1.964 ( -0.695 0.000 1.255) 1.434 1.983 ( -0.478 0.000 -4.433) 4.458 2.097 ( 0.235 -0.000 -2.111) 2.124 2.172 ( 0.558 -0.000 0.251) 0.612 2.294 ( 2.050 -0.000 3.329) 3.909 2.428 ( -0.665 0.000 0.603) 0.897 2.602 ( -1.277 0.000 0.802) 1.507 2.607 ( -3.565 0.000 -10.648) 11.229 2.682 ( -1.165 0.000 -4.895) 5.031 2.689 ( 2.163 -0.000 -0.242) 2.176 2.786 ( 1.251 -0.000 -8.710) 8.799 2.828 ( -0.827 0.000 0.699) 1.083 2.954 ( 3.385 -0.000 -1.682) 3.780 2.968 ( -0.881 0.000 -0.578) 1.054 3.026 ( 1.520 -0.000 5.248) 5.464 3.053 ( -0.395 0.000 2.087) 2.124 3.203 ( 0.034 -0.000 1.671) 1.672 3.518 ( -1.463 0.000 -1.597) 2.165 3.530 ( -2.845 0.000 -2.458) 3.759 3.545 ( -3.195 0.000 -2.251) 3.908 3.582 ( 3.281 -0.000 1.052) 3.445 3.619 ( 1.323 -0.000 -4.769) 4.949 3.658 ( -1.887 0.000 -2.979) 3.526 3.764 ( -1.917 0.000 0.177) 1.925 3.769 ( -0.164 0.000 0.665) 0.685 3.958 ( -5.007 0.000 1.517) 5.231 4.058 ( 7.045 -0.000 -1.768) 7.264 4.115 ( 1.017 -0.000 0.553) 1.158 4.135 ( -0.073 0.000 -1.751) 1.753 4.208 ( -4.854 0.000 1.770) 5.167 4.269 ( 3.737 -0.000 -0.670) 3.796 4.302 ( 1.679 -0.000 2.364) 2.900 4.309 ( -1.536 0.000 -0.282) 1.562 4.341 ( 1.255 -0.000 0.025) 1.255 4.343 ( -0.753 0.000 1.973) 2.112 4.429 ( -0.951 0.000 2.518) 2.692 4.440 ( -2.170 0.000 -2.218) 3.103 4.514 ( -1.651 0.000 4.477) 4.772 4.535 ( 2.499 -0.000 -2.777) 3.736 4.596 ( 2.504 -0.000 -3.283) 4.129 4.603 ( 1.578 -0.000 0.485) 1.651 4.713 ( -2.275 0.000 2.834) 3.635 4.717 ( 1.885 -0.000 3.401) 3.888 4.774 ( 0.502 -0.000 0.378) 0.628 4.882 ( 1.950 -0.000 -0.329) 1.978 4.897 ( -2.298 0.000 -1.086) 2.542 4.931 ( 0.620 -0.000 0.299) 0.689 4.997 ( -3.697 0.000 1.664) 4.054 5.003 ( 0.841 -0.000 -0.324) 0.902 5.075 ( -0.695 0.000 1.236) 1.418 5.085 ( 3.085 -0.000 0.264) 3.096 5.148 ( 0.011 -0.000 0.921) 0.921 5.197 ( 1.207 -0.000 1.262) 1.746 5.285 ( -2.042 0.000 4.681) 5.107 5.310 ( 2.333 -0.000 1.132) 2.593 5.484 ( 1.242 -0.000 -4.749) 4.909 5.499 ( -1.795 0.000 -2.331) 2.942 5.523 ( -1.535 0.000 3.996) 4.280 5.676 ( 0.332 -0.000 0.615) 0.699 5.707 ( -1.988 0.000 -1.136) 2.289 5.797 ( 1.406 -0.000 -1.868) 2.338 6.079 ( 8.332 -0.000 -0.680) 8.360 6.143 ( -0.412 0.000 -1.882) 1.926 12.246 ( 0.610 -0.000 0.867) 1.060 12.293 ( -0.508 0.000 -0.806) 0.953 13.937 ( 27.718 -0.000 0.855) 27.731 13.987 ( -6.178 0.000 -0.894) 6.243 14.601 ( 0.469 -0.000 0.850) 0.971 14.661 ( -1.021 0.000 -1.403) 1.735 14.726 ( 5.310 -0.000 1.094) 5.421 14.770 ( -25.720 0.000 -0.370) 25.723 15.740 ( 1.076 -0.000 0.912) 1.410 15.793 ( -17.223 0.000 -1.000) 17.252 17.008 ( -1.869 0.000 0.204) 1.880 17.016 ( 1.674 -0.000 -0.064) 1.675 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 10.357 -8.040 11.283) 17.298 0.754 ( 11.270 -16.168 12.811) 23.506 1.117 ( 6.807 -5.063 -10.006) 13.118 1.223 ( 10.171 -8.352 0.917) 13.192 1.292 ( 8.643 -8.690 24.029) 26.974 1.323 ( 2.126 -3.869 1.208) 4.577 1.576 ( 7.251 -1.272 -3.464) 8.136 1.798 ( -3.988 0.271 1.914) 4.432 1.872 ( -1.702 0.197 -1.754) 2.452 1.961 ( -1.651 -0.844 -2.993) 3.521 2.015 ( -0.447 -5.036 -0.961) 5.146 2.067 ( 1.611 1.934 2.454) 3.516 2.213 ( 1.942 -0.846 2.612) 3.363 2.345 ( 2.384 -1.792 -2.986) 4.220 2.391 ( -1.847 -0.943 -4.030) 4.532 2.541 ( -5.192 -1.254 1.403) 5.523 2.544 ( -3.952 1.959 -6.049) 7.487 2.646 ( -0.702 -1.820 -2.768) 3.387 2.684 ( -3.361 -1.275 -1.246) 3.805 2.771 ( 3.179 0.058 -6.466) 7.206 2.801 ( -1.120 1.053 -0.232) 1.555 2.976 ( 0.447 -0.722 0.798) 1.165 2.993 ( 2.271 -0.561 -0.944) 2.523 3.048 ( 1.371 1.621 -1.809) 2.790 3.098 ( 1.860 -1.506 5.152) 5.681 3.218 ( 0.938 -0.412 0.409) 1.103 3.414 ( -5.820 1.885 -1.276) 6.250 3.469 ( -4.568 -1.035 -1.129) 4.818 3.493 ( -4.685 -2.981 -2.116) 5.943 3.593 ( -0.857 0.044 -3.572) 3.674 3.684 ( 4.724 -3.360 -0.115) 5.798 3.717 ( 3.334 -2.738 -1.847) 4.693 3.802 ( 4.604 -2.373 0.155) 5.182 3.856 ( 7.265 -2.150 0.700) 7.608 3.948 ( -1.065 -3.863 0.223) 4.013 4.086 ( 3.057 3.051 -0.705) 4.376 4.108 ( -2.534 0.804 0.303) 2.676 4.144 ( -2.221 1.606 1.121) 2.961 4.203 ( 4.722 -3.463 -1.078) 5.954 4.256 ( -4.205 -1.204 0.678) 4.426 4.302 ( 3.431 0.839 -0.030) 3.532 4.333 ( 0.429 -0.322 -0.773) 0.941 4.337 ( -0.988 1.777 0.305) 2.056 4.369 ( 0.609 1.552 0.694) 1.805 4.402 ( -0.004 -0.884 0.245) 0.917 4.423 ( -0.411 1.144 0.904) 1.515 4.503 ( -0.864 1.459 0.704) 1.836 4.547 ( 1.428 0.568 -1.178) 1.937 4.607 ( 2.066 0.765 0.037) 2.204 4.637 ( 3.967 -0.149 -2.038) 4.462 4.676 ( -4.112 0.759 2.754) 5.007 4.746 ( -0.741 0.314 2.145) 2.291 4.769 ( 0.851 2.131 4.390) 4.953 4.865 ( -0.224 0.556 -1.169) 1.314 4.897 ( 0.296 2.028 1.379) 2.470 4.937 ( 1.711 0.583 -1.012) 2.072 4.950 ( -1.769 1.193 0.057) 2.135 5.031 ( -0.747 2.286 -0.199) 2.413 5.033 ( 1.960 -0.537 0.452) 2.081 5.090 ( 0.060 2.356 2.579) 3.494 5.129 ( 0.395 2.984 1.371) 3.307 5.221 ( 0.397 -0.157 1.158) 1.234 5.289 ( -1.459 0.251 2.647) 3.033 5.334 ( 0.032 0.016 -0.170) 0.173 5.395 ( -3.484 5.046 -1.397) 6.289 5.434 ( -2.035 4.673 -3.704) 6.301 5.511 ( -0.517 1.559 3.341) 3.723 5.639 ( -1.901 3.237 2.333) 4.419 5.669 ( -3.534 -0.446 -2.376) 4.281 5.747 ( -2.986 3.671 -1.331) 4.915 6.124 ( 1.047 -1.935 0.559) 2.270 6.149 ( -0.518 -2.516 -1.565) 3.008 12.244 ( -0.923 1.258 0.052) 1.561 12.265 ( 0.010 0.915 -0.120) 0.923 13.889 ( -6.006 1.296 -4.611) 7.681 14.098 ( 10.310 24.835 7.700) 27.971 14.211 ( -9.549 0.880 7.387) 12.105 14.602 ( -1.323 3.316 -0.947) 3.694 14.691 ( 0.141 -1.342 -0.879) 1.610 14.832 ( 8.664 5.763 -1.739) 10.550 15.831 ( -1.361 -14.474 5.366) 15.496 16.086 ( -6.152 -33.113 -14.588) 36.703 17.040 ( -1.318 -6.222 -0.348) 6.369 17.095 ( 3.703 -5.260 1.024) 6.514 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 10.054 -6.849 6.850) 13.961 1.152 ( 8.247 -9.594 14.211) 19.027 1.259 ( 7.869 -6.650 -6.539) 12.202 1.320 ( -2.465 -0.756 1.572) 3.020 1.495 ( 1.886 -2.599 -4.535) 5.556 1.550 ( 10.122 -6.828 -10.442) 16.066 1.758 ( 2.681 -1.261 -2.113) 3.639 1.775 ( 9.461 -4.908 8.682) 13.747 1.875 ( -2.787 -3.990 6.593) 8.194 1.944 ( 1.556 -1.137 4.411) 4.814 2.062 ( 0.789 -3.444 -1.035) 3.682 2.156 ( 3.700 -2.909 2.926) 5.542 2.234 ( -2.082 -1.830 1.461) 3.134 2.332 ( -0.836 -1.752 -5.972) 6.279 2.421 ( -2.325 2.872 -7.198) 8.091 2.450 ( 1.221 -3.986 3.409) 5.385 2.494 ( -3.173 0.049 -1.557) 3.534 2.673 ( 1.109 -1.342 -0.817) 1.923 2.692 ( -2.690 -6.652 -0.978) 7.241 2.768 ( 1.180 0.372 -4.832) 4.987 2.804 ( 2.465 -0.139 1.308) 2.794 2.979 ( 0.007 2.868 2.517) 3.815 3.002 ( -0.076 0.536 -3.798) 3.837 3.028 ( 1.473 -0.638 -2.020) 2.580 3.156 ( 0.767 -1.171 2.878) 3.201 3.254 ( 1.552 -3.028 -2.482) 4.211 3.359 ( -1.206 0.575 1.773) 2.220 3.430 ( -2.596 -0.320 -0.775) 2.727 3.479 ( -3.702 -2.872 -1.042) 4.799 3.542 ( -3.837 0.614 -2.805) 4.793 3.772 ( 1.636 -2.976 0.307) 3.410 3.788 ( 2.695 -2.889 -0.936) 4.060 3.888 ( 1.299 -2.848 1.325) 3.399 3.957 ( 2.930 -1.670 -2.971) 4.494 4.038 ( 0.121 2.241 2.574) 3.415 4.042 ( 3.995 -5.104 -0.047) 6.482 4.087 ( 1.337 0.969 0.433) 1.707 4.143 ( 0.429 -0.816 0.943) 1.319 4.222 ( -2.293 -0.343 0.413) 2.355 4.268 ( -1.078 2.194 -3.436) 4.217 4.288 ( -2.823 3.207 0.955) 4.378 4.319 ( 2.695 -2.506 0.603) 3.729 4.350 ( 3.886 1.074 -0.268) 4.041 4.361 ( 0.408 -0.282 0.518) 0.717 4.402 ( -0.526 1.019 0.072) 1.149 4.421 ( -0.107 0.739 0.124) 0.757 4.469 ( 0.777 0.964 -1.088) 1.648 4.542 ( -0.002 1.366 0.433) 1.433 4.622 ( 0.687 1.236 0.392) 1.467 4.631 ( -2.367 -0.010 1.943) 3.062 4.666 ( 2.963 1.104 -2.516) 4.041 4.732 ( 0.228 0.637 1.470) 1.618 4.780 ( -0.721 0.709 3.603) 3.743 4.840 ( 0.060 3.028 -0.574) 3.082 4.868 ( -2.044 -0.089 1.152) 2.348 4.916 ( -1.183 1.207 1.660) 2.370 4.953 ( 2.292 1.124 -0.997) 2.741 4.995 ( -0.634 1.203 -1.925) 2.357 5.065 ( -0.594 2.054 3.325) 3.954 5.076 ( 1.512 0.962 2.008) 2.692 5.091 ( 1.109 2.706 1.403) 3.243 5.208 ( -0.374 1.860 -2.256) 2.948 5.249 ( -2.514 3.270 0.599) 4.169 5.287 ( -0.723 4.007 -1.973) 4.524 5.302 ( -1.010 2.491 -0.630) 2.761 5.340 ( -1.068 0.733 -2.603) 2.907 5.486 ( -1.221 2.430 2.449) 3.660 5.591 ( -2.724 1.570 3.800) 4.932 5.614 ( -2.772 0.200 -1.812) 3.318 5.644 ( -4.900 2.524 -0.811) 5.571 6.170 ( -0.276 -3.323 -1.384) 3.611 6.190 ( 0.857 -2.742 1.127) 3.086 12.213 ( -0.770 0.247 -1.045) 1.321 12.269 ( 0.904 0.196 0.950) 1.326 13.723 ( -7.615 5.336 -5.884) 11.004 13.889 ( -1.061 12.331 9.627) 15.680 14.233 ( 2.404 0.696 -0.448) 2.542 14.558 ( 1.737 2.888 -0.212) 3.377 14.704 ( -0.497 -1.329 -1.527) 2.085 14.798 ( 6.903 9.152 -1.264) 11.533 16.047 ( -5.318 -15.726 0.950) 16.628 16.344 ( 0.326 -17.294 -4.008) 17.755 17.116 ( -1.451 -6.235 -0.548) 6.425 17.239 ( 3.581 -6.006 2.044) 7.285 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 8.635 -3.629 3.655) 10.054 1.214 ( -6.306 9.152 4.450) 11.972 1.264 ( -6.631 1.406 3.353) 7.562 1.397 ( 4.276 -2.299 -3.916) 6.237 1.554 ( 6.211 -6.175 0.767) 8.792 1.655 ( 3.705 -4.329 -10.135) 11.627 1.770 ( 3.510 3.498 -4.462) 6.668 1.871 ( 3.796 -2.580 -3.038) 5.504 1.943 ( -4.031 -5.064 4.602) 7.941 2.096 ( -2.270 -2.514 1.161) 3.580 2.135 ( 6.370 -0.297 0.991) 6.453 2.195 ( 1.844 1.670 -0.814) 2.618 2.291 ( -2.409 -3.670 7.442) 8.640 2.336 ( -2.282 0.766 2.625) 3.562 2.351 ( 1.888 -0.142 0.313) 1.919 2.415 ( -3.222 3.224 0.229) 4.563 2.561 ( 3.772 -3.435 -4.757) 6.976 2.705 ( -2.009 -3.280 1.086) 3.996 2.755 ( 1.310 -6.483 -4.726) 8.129 2.770 ( 1.001 -0.249 1.998) 2.248 2.836 ( 4.369 2.427 -1.612) 5.251 2.949 ( 1.847 2.642 1.592) 3.595 2.979 ( -1.159 -0.089 -0.256) 1.190 3.065 ( -0.676 -2.959 -0.106) 3.037 3.185 ( -0.825 -1.873 1.064) 2.307 3.277 ( 1.510 0.090 -4.306) 4.564 3.378 ( 2.193 -1.402 0.429) 2.638 3.405 ( -0.544 1.808 -0.273) 1.908 3.446 ( -4.705 -2.086 2.461) 5.704 3.489 ( -1.549 -0.738 -2.315) 2.882 3.820 ( 0.253 -2.409 0.950) 2.602 3.854 ( 1.337 -2.786 -0.387) 3.114 3.920 ( 1.107 0.941 0.477) 1.529 3.988 ( -0.863 -4.904 -0.337) 4.991 4.058 ( 1.784 1.700 0.562) 2.527 4.089 ( 0.063 1.151 0.657) 1.326 4.129 ( 1.638 0.093 -1.099) 1.975 4.160 ( -0.619 1.167 -1.444) 1.957 4.194 ( 1.269 -1.578 0.911) 2.220 4.224 ( -1.142 1.134 0.795) 1.795 4.240 ( -1.131 -0.343 0.458) 1.268 4.343 ( 0.139 0.602 0.432) 0.754 4.358 ( 0.120 0.555 0.676) 0.883 4.369 ( -1.941 0.936 -1.558) 2.659 4.385 ( 0.773 0.391 -0.547) 1.025 4.406 ( 0.609 -0.403 -0.029) 0.731 4.486 ( 1.207 0.144 -0.080) 1.218 4.538 ( 2.703 0.136 -0.186) 2.712 4.591 ( -2.191 1.094 1.718) 2.991 4.646 ( -0.228 -1.440 0.883) 1.705 4.656 ( 0.882 2.781 -2.074) 3.580 4.717 ( -0.094 2.716 -2.513) 3.701 4.765 ( -2.084 0.389 -0.010) 2.120 4.805 ( -0.374 1.460 -0.476) 1.581 4.834 ( -1.618 0.267 1.565) 2.267 4.906 ( -0.861 -0.592 1.070) 1.495 4.930 ( -1.083 1.941 0.796) 2.361 4.978 ( 1.171 0.306 -1.010) 1.577 5.029 ( -1.901 2.068 2.833) 3.990 5.072 ( 0.917 1.344 2.338) 2.849 5.121 ( 1.672 -0.216 0.514) 1.762 5.163 ( -0.609 1.240 -2.372) 2.745 5.198 ( 1.009 -0.134 0.139) 1.027 5.233 ( -0.434 2.849 0.688) 2.963 5.289 ( 0.195 -0.840 -1.383) 1.629 5.316 ( 0.415 0.235 -3.041) 3.078 5.462 ( -0.133 0.722 1.089) 1.313 5.544 ( -4.484 0.438 -0.726) 4.564 5.557 ( -2.484 0.894 0.793) 2.756 5.601 ( 1.295 0.917 2.204) 2.716 6.196 ( -0.674 -1.758 -0.958) 2.113 6.235 ( 0.554 -1.006 1.069) 1.569 12.206 ( -0.070 -0.466 -0.996) 1.102 12.286 ( 0.801 -0.006 1.485) 1.688 13.540 ( -5.263 3.424 -5.780) 8.534 13.802 ( 0.795 4.384 4.329) 6.213 14.241 ( 1.370 1.055 -0.533) 1.809 14.549 ( 0.430 0.650 0.155) 0.795 14.693 ( -0.326 -0.032 -2.339) 2.361 14.771 ( 3.077 3.213 0.260) 4.456 16.119 ( -5.201 -5.420 -4.334) 8.672 16.571 ( 4.999 -8.031 6.336) 11.385 17.158 ( -1.925 -2.891 -1.249) 3.691 17.346 ( 2.132 -1.679 2.224) 3.509 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -6.778 14.245 6.938) 17.234 1.102 ( -10.887 6.506 2.415) 12.910 1.256 ( 4.574 -0.002 0.485) 4.599 1.419 ( 0.666 1.471 -0.593) 1.720 1.653 ( 0.593 -2.047 -6.055) 6.420 1.681 ( 3.322 4.386 -3.279) 6.405 1.773 ( 1.102 -4.219 -3.018) 5.303 1.901 ( -6.771 0.413 0.048) 6.783 1.944 ( -0.547 2.484 -0.597) 2.613 2.080 ( -6.685 -0.260 3.675) 7.633 2.113 ( -3.790 5.134 -1.432) 6.540 2.159 ( -0.632 7.892 -0.254) 7.921 2.204 ( 3.319 0.474 -2.957) 4.471 2.275 ( -2.819 1.849 1.270) 3.603 2.363 ( -1.231 1.494 9.800) 9.989 2.446 ( 4.834 0.405 -2.891) 5.647 2.571 ( 0.755 1.555 -2.526) 3.061 2.741 ( 0.086 -2.254 -0.224) 2.267 2.783 ( -2.340 1.439 6.329) 6.899 2.815 ( 1.990 -1.990 -4.974) 5.715 2.864 ( 4.956 1.629 -2.661) 5.857 2.937 ( -0.569 0.566 -0.172) 0.820 2.989 ( -1.474 -0.245 6.402) 6.574 3.071 ( -3.303 -1.619 0.370) 3.697 3.184 ( -4.150 -1.248 -3.115) 5.337 3.259 ( 1.537 2.500 -3.898) 4.879 3.399 ( 2.174 -0.546 2.678) 3.492 3.442 ( 4.234 -0.977 -0.336) 4.359 3.495 ( -0.137 -5.294 0.551) 5.325 3.502 ( 3.623 -3.287 -3.036) 5.758 3.849 ( -0.389 1.833 0.545) 1.952 3.868 ( 0.470 0.505 -0.418) 0.806 3.916 ( -1.055 -0.472 0.862) 1.442 4.035 ( 1.682 1.150 -1.729) 2.672 4.051 ( -0.682 -3.005 -0.928) 3.218 4.064 ( -0.350 1.610 0.540) 1.733 4.126 ( 0.647 0.742 -0.575) 1.140 4.153 ( 0.332 0.696 -1.392) 1.592 4.193 ( -1.290 0.310 2.527) 2.854 4.234 ( 0.787 -0.695 1.112) 1.529 4.256 ( 0.236 -1.208 1.735) 2.127 4.311 ( -0.635 1.363 -3.889) 4.170 4.330 ( -0.282 1.177 0.762) 1.431 4.357 ( -0.304 0.640 1.231) 1.421 4.398 ( -1.405 -0.374 0.832) 1.675 4.433 ( -0.442 -4.099 0.306) 4.134 4.502 ( 0.795 0.703 -1.167) 1.577 4.542 ( -1.677 4.407 -1.675) 5.004 4.557 ( -1.516 1.088 -0.865) 2.057 4.592 ( 2.797 -0.680 0.452) 2.914 4.659 ( -0.967 -0.063 0.892) 1.317 4.687 ( -0.015 0.286 -0.383) 0.478 4.704 ( -3.574 1.166 -0.997) 3.889 4.803 ( 0.748 -0.378 -0.224) 0.867 4.848 ( -1.136 -2.882 1.687) 3.527 4.904 ( -0.827 -1.145 0.539) 1.512 4.923 ( -1.827 -0.927 -0.343) 2.077 4.974 ( -0.168 0.170 1.672) 1.689 5.028 ( 0.616 -1.948 1.502) 2.536 5.078 ( -1.741 -0.162 2.344) 2.924 5.111 ( -1.913 0.834 -1.624) 2.644 5.176 ( 1.379 -2.866 0.833) 3.288 5.202 ( 0.440 0.204 0.160) 0.511 5.255 ( -1.585 0.678 -1.137) 2.065 5.262 ( 1.340 -2.190 0.407) 2.599 5.342 ( 3.407 -1.285 -3.110) 4.789 5.453 ( 0.627 -0.628 -1.532) 1.771 5.521 ( -0.977 0.168 0.147) 1.003 5.548 ( 1.553 -1.164 1.920) 2.730 5.639 ( 4.223 0.462 1.800) 4.614 6.186 ( -1.041 1.246 -0.567) 1.720 6.241 ( -0.051 1.201 0.736) 1.410 12.207 ( 0.171 -0.167 -0.909) 0.939 12.300 ( 0.338 0.276 1.421) 1.487 13.446 ( -2.227 -0.611 -4.292) 4.874 13.845 ( 3.054 -4.372 2.765) 6.008 14.231 ( -0.059 0.772 -0.504) 0.924 14.549 ( -1.660 -1.808 0.133) 2.458 14.697 ( 1.043 -1.606 -2.443) 3.104 14.765 ( -1.705 -0.573 0.413) 1.846 16.047 ( -2.524 5.530 -2.555) 6.594 16.740 ( 8.695 1.150 4.449) 9.835 17.141 ( -2.037 0.380 -1.212) 2.401 17.356 ( 1.154 4.721 2.165) 5.321 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -5.157 13.873 17.610) 23.003 0.841 ( -11.035 12.925 5.022) 17.721 1.222 ( -3.882 4.202 -3.713) 6.820 1.355 ( -6.504 6.953 1.056) 9.579 1.516 ( -18.894 15.392 6.843) 25.312 1.557 ( -6.229 6.562 -4.692) 10.192 1.634 ( -0.285 2.561 -4.418) 5.114 1.796 ( 1.343 1.252 -4.174) 4.560 1.988 ( -1.812 -1.980 2.951) 3.989 1.991 ( 1.499 1.068 -3.889) 4.302 2.053 ( -3.462 0.535 4.198) 5.468 2.084 ( 4.024 7.170 -2.475) 8.586 2.215 ( -0.321 -1.027 -5.216) 5.325 2.248 ( 0.519 0.999 1.446) 1.832 2.419 ( 3.044 1.358 6.893) 7.657 2.450 ( 1.625 -0.297 -1.168) 2.023 2.572 ( 5.587 1.710 -0.311) 5.851 2.747 ( 0.656 1.358 2.134) 2.613 2.777 ( -1.641 -0.875 0.920) 2.074 2.797 ( -0.139 3.144 -4.474) 5.470 2.860 ( 0.001 0.070 -3.434) 3.435 2.950 ( 1.258 -2.054 0.610) 2.485 2.977 ( -3.953 1.076 5.553) 6.901 3.048 ( -1.581 -0.370 -3.181) 3.571 3.119 ( -5.542 -0.499 -1.403) 5.739 3.203 ( 1.276 3.585 -2.429) 4.514 3.456 ( 2.138 -0.530 2.734) 3.510 3.482 ( 5.820 3.157 -0.954) 6.689 3.551 ( 0.362 -3.265 -2.718) 4.264 3.604 ( 2.845 -3.291 -5.563) 7.062 3.788 ( -1.500 3.106 -0.821) 3.546 3.845 ( -0.241 3.918 -2.146) 4.474 3.893 ( -4.133 0.550 0.921) 4.270 4.008 ( -5.703 1.753 0.476) 5.985 4.041 ( 1.734 0.041 -2.319) 2.896 4.069 ( -0.024 -1.927 1.168) 2.253 4.100 ( 0.784 2.870 -1.632) 3.394 4.155 ( 0.695 -0.378 0.061) 0.794 4.196 ( 0.283 1.084 -0.162) 1.132 4.251 ( -1.807 0.187 1.300) 2.234 4.259 ( 0.027 0.216 -2.085) 2.096 4.294 ( 1.461 1.457 2.335) 3.116 4.340 ( 2.003 -1.216 -0.537) 2.404 4.357 ( -0.960 -0.764 2.076) 2.411 4.388 ( -1.646 -0.667 1.857) 2.569 4.417 ( -0.501 1.063 -2.577) 2.833 4.473 ( -3.232 -3.486 0.619) 4.794 4.541 ( -0.384 -0.392 -0.101) 0.558 4.551 ( 2.245 -0.301 2.227) 3.177 4.620 ( -3.008 0.770 -0.178) 3.110 4.642 ( -1.777 -0.712 2.089) 2.834 4.668 ( 1.197 -0.391 0.498) 1.354 4.708 ( 0.963 -2.116 0.644) 2.413 4.820 ( -0.222 -1.488 -0.100) 1.508 4.894 ( -2.558 -4.325 0.919) 5.108 4.913 ( -2.470 -3.364 -0.373) 4.190 4.934 ( -1.146 -3.471 1.726) 4.042 4.997 ( 0.766 -0.698 1.138) 1.539 5.043 ( -2.434 0.071 0.604) 2.509 5.075 ( -0.416 -0.871 2.996) 3.148 5.079 ( -0.481 0.262 0.182) 0.578 5.192 ( -1.681 1.205 -1.486) 2.547 5.216 ( 0.977 -1.513 -0.262) 1.820 5.281 ( 2.971 -5.330 -1.351) 6.250 5.328 ( 0.870 -2.474 2.357) 3.526 5.382 ( 1.937 -2.602 -2.916) 4.362 5.502 ( 0.735 1.194 -2.039) 2.475 5.516 ( 3.783 -3.298 1.335) 5.193 5.623 ( 3.155 -2.944 1.708) 4.641 5.697 ( 4.637 0.752 0.750) 4.757 6.126 ( -0.895 5.073 -0.043) 5.152 6.212 ( -0.265 2.522 0.104) 2.538 12.209 ( 0.562 -0.313 -0.719) 0.965 12.301 ( -0.284 0.225 0.206) 0.417 13.453 ( 0.845 -2.846 0.966) 3.122 13.995 ( 0.862 -7.759 3.728) 8.651 14.241 ( 1.133 -3.444 -0.152) 3.629 14.571 ( -2.589 -5.724 -0.227) 6.286 14.722 ( 1.588 -0.654 -2.704) 3.203 14.749 ( -5.948 -4.171 -0.004) 7.265 15.894 ( -0.192 11.556 0.382) 11.563 16.781 ( 12.296 11.451 -6.993) 18.200 17.101 ( -0.534 2.660 0.667) 2.794 17.270 ( 1.100 10.349 1.813) 10.564 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -8.949 15.396 10.961) 20.911 0.642 ( -8.914 9.664 22.140) 25.749 0.913 ( -18.617 15.969 22.512) 33.292 1.096 ( -2.686 6.092 -6.580) 9.361 1.267 ( -4.078 8.718 -7.190) 12.014 1.386 ( -7.718 2.899 2.456) 8.603 1.553 ( -1.297 2.738 -4.393) 5.336 1.777 ( 2.278 1.477 -0.164) 2.720 1.952 ( -1.356 -1.169 -1.346) 2.240 1.992 ( -1.097 2.784 -1.904) 3.547 2.024 ( -1.432 1.966 5.263) 5.798 2.092 ( 3.112 0.413 -1.047) 3.309 2.174 ( -1.199 -1.251 -6.094) 6.335 2.264 ( 2.201 1.295 2.620) 3.658 2.419 ( 0.581 0.876 2.054) 2.307 2.542 ( 2.329 -3.190 4.318) 5.852 2.638 ( 7.896 1.786 -0.745) 8.130 2.718 ( -0.698 1.115 -4.826) 5.002 2.742 ( -2.034 2.136 -8.746) 9.229 2.775 ( 1.293 -1.702 -1.435) 2.574 2.832 ( -1.278 -0.073 1.184) 1.743 2.947 ( -0.044 0.468 -2.909) 2.947 2.992 ( -0.651 -1.012 1.924) 2.269 3.010 ( -1.664 1.225 0.716) 2.187 3.063 ( -1.226 0.445 -0.744) 1.502 3.192 ( 1.761 1.061 1.306) 2.436 3.493 ( 1.161 -1.209 -0.006) 1.677 3.508 ( 6.655 2.833 -1.475) 7.382 3.561 ( -0.045 -0.380 -2.281) 2.313 3.602 ( 0.721 0.078 -7.154) 7.191 3.691 ( -4.671 4.318 -1.889) 6.635 3.750 ( -2.016 3.877 -2.454) 5.012 3.821 ( -5.484 0.772 1.158) 5.658 3.897 ( -9.546 0.618 -4.664) 10.642 4.015 ( -0.332 1.676 -3.126) 3.562 4.031 ( -2.518 2.073 0.895) 3.382 4.106 ( 0.073 -0.236 0.308) 0.395 4.164 ( -1.069 1.572 -0.135) 1.906 4.196 ( 3.746 -1.727 0.121) 4.127 4.245 ( -0.170 0.309 1.140) 1.193 4.256 ( 0.004 -0.742 2.187) 2.309 4.303 ( 2.166 0.643 -0.485) 2.311 4.350 ( 0.371 0.650 0.155) 0.764 4.358 ( -2.494 0.191 2.469) 3.515 4.425 ( -1.197 -2.191 3.292) 4.131 4.440 ( 1.608 -1.647 -1.323) 2.655 4.484 ( -2.364 -3.172 1.252) 4.150 4.555 ( -0.528 1.354 0.987) 1.757 4.564 ( 0.338 -1.646 -0.673) 1.810 4.587 ( 1.002 0.176 -0.564) 1.164 4.668 ( 1.161 -1.385 3.577) 4.008 4.695 ( 1.812 0.237 2.445) 3.052 4.754 ( 0.362 -1.241 1.316) 1.845 4.851 ( 0.589 -2.688 -0.363) 2.776 4.909 ( -2.308 -3.132 -0.380) 3.909 4.928 ( -5.350 -3.359 3.117) 7.044 4.983 ( 0.317 -2.405 -0.469) 2.471 4.994 ( -1.997 -1.724 2.063) 3.349 5.057 ( -0.853 -2.044 0.451) 2.260 5.071 ( -1.096 0.825 0.497) 1.459 5.105 ( 0.679 -2.531 1.806) 3.183 5.174 ( 1.415 0.158 1.119) 1.811 5.255 ( 1.622 -0.886 1.703) 2.514 5.330 ( 1.018 2.238 -1.385) 2.822 5.420 ( 1.734 -6.196 5.099) 8.210 5.458 ( 0.091 -7.172 -1.006) 7.243 5.491 ( 1.910 0.324 -3.601) 4.089 5.618 ( 2.399 -3.379 1.919) 4.567 5.721 ( 2.852 -3.123 -0.245) 4.237 5.729 ( 3.788 0.965 -0.064) 3.910 6.035 ( 2.636 8.185 2.272) 8.894 6.172 ( -0.170 2.175 -0.865) 2.347 12.226 ( 1.028 -0.757 0.087) 1.279 12.292 ( -0.784 -0.532 -0.819) 1.252 13.585 ( 9.678 -4.410 10.339) 14.832 14.049 ( -5.205 -1.893 2.485) 6.070 14.384 ( -0.589 -13.136 4.352) 13.850 14.666 ( 2.208 -6.165 -0.709) 6.587 14.712 ( -0.010 1.876 -0.915) 2.087 14.759 ( -9.090 -13.484 -1.950) 16.378 15.753 ( 1.046 8.497 2.089) 8.812 16.559 ( 7.448 33.399 -27.363) 43.814 17.047 ( 0.030 4.363 -0.180) 4.366 17.111 ( -1.806 10.561 -0.280) 10.717 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.14 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 11.661 -0.000 13.505) 17.843 0.905 ( 23.615 -0.000 4.024) 23.956 1.107 ( 9.840 -0.000 -10.348) 14.280 1.321 ( 5.157 -0.000 3.377) 6.164 1.386 ( 18.381 -0.000 -8.803) 20.380 1.475 ( 5.105 -0.000 21.199) 21.805 1.686 ( 12.763 -0.000 2.372) 12.982 1.760 ( -5.255 0.000 3.260) 6.184 1.819 ( -2.031 0.000 -3.947) 4.439 1.940 ( -0.315 0.000 3.024) 3.040 1.961 ( -0.749 0.000 -0.856) 1.137 2.131 ( 3.436 -0.000 2.169) 4.063 2.253 ( 1.268 -0.000 3.093) 3.343 2.283 ( 2.533 -0.000 -20.667) 20.821 2.393 ( 0.422 -0.000 8.042) 8.054 2.455 ( -6.389 0.000 -1.675) 6.605 2.465 ( -6.700 0.000 4.630) 8.144 2.612 ( -2.791 0.000 -2.080) 3.481 2.658 ( 3.030 -0.000 -3.541) 4.660 2.784 ( 4.721 -0.000 -8.372) 9.612 2.784 ( -0.542 0.000 -1.467) 1.564 2.963 ( -1.553 0.000 1.062) 1.881 2.997 ( 1.082 -0.000 -3.665) 3.822 3.074 ( 0.919 -0.000 1.229) 1.534 3.145 ( 2.604 -0.000 2.382) 3.529 3.214 ( -1.169 0.000 -0.836) 1.437 3.376 ( -4.112 0.000 0.706) 4.172 3.403 ( 0.562 -0.000 -0.322) 0.648 3.434 ( -1.795 0.000 -0.391) 1.837 3.545 ( -2.578 0.000 -3.874) 4.653 3.720 ( 1.740 -0.000 -1.736) 2.458 3.724 ( 3.031 -0.000 0.630) 3.096 3.835 ( 2.412 -0.000 1.235) 2.709 3.942 ( 4.820 -0.000 -0.380) 4.835 3.956 ( 7.833 -0.000 0.669) 7.862 4.087 ( -2.416 0.000 2.493) 3.472 4.135 ( 0.211 -0.000 -0.680) 0.712 4.182 ( 3.583 -0.000 0.560) 3.626 4.198 ( -3.277 0.000 0.956) 3.413 4.231 ( 5.964 -0.000 0.223) 5.968 4.314 ( -2.159 0.000 -3.531) 4.139 4.327 ( -0.904 0.000 -2.072) 2.260 4.333 ( 1.691 -0.000 -0.378) 1.733 4.405 ( 2.772 -0.000 1.423) 3.116 4.408 ( -2.997 0.000 1.347) 3.286 4.436 ( 2.591 -0.000 3.040) 3.994 4.511 ( 1.040 -0.000 -3.149) 3.316 4.545 ( -1.307 0.000 1.144) 1.736 4.644 ( -3.536 0.000 1.768) 3.953 4.657 ( 2.020 -0.000 0.131) 2.024 4.673 ( 3.849 -0.000 -1.156) 4.019 4.743 ( -0.408 0.000 0.241) 0.474 4.829 ( 0.807 -0.000 5.815) 5.871 4.831 ( -2.297 0.000 -2.607) 3.474 4.909 ( -1.105 0.000 -4.274) 4.415 4.918 ( -2.953 0.000 0.101) 2.955 4.976 ( 4.000 -0.000 0.636) 4.050 5.045 ( 0.416 -0.000 1.094) 1.170 5.059 ( -0.376 0.000 -0.227) 0.439 5.086 ( -2.695 0.000 4.108) 4.913 5.152 ( -0.957 0.000 -0.193) 0.976 5.222 ( -0.952 0.000 1.448) 1.733 5.300 ( 0.484 -0.000 1.102) 1.203 5.300 ( -4.238 0.000 -1.974) 4.675 5.393 ( -2.468 0.000 0.044) 2.468 5.428 ( -2.118 0.000 -3.624) 4.197 5.480 ( -6.507 0.000 4.203) 7.746 5.597 ( -4.851 0.000 -1.047) 4.962 5.668 ( -0.604 0.000 1.751) 1.852 5.707 ( -6.032 0.000 -2.208) 6.424 6.100 ( -0.570 0.000 -3.471) 3.517 6.122 ( 0.118 -0.000 1.470) 1.474 12.243 ( -1.857 0.000 -1.117) 2.167 12.264 ( 0.164 -0.000 1.304) 1.314 13.796 ( -5.716 0.000 -7.228) 9.215 14.120 ( -14.387 0.000 12.156) 18.835 14.501 ( 11.498 -0.000 -11.311) 16.129 14.556 ( -3.226 0.000 2.958) 4.377 14.681 ( 0.695 -0.000 0.482) 0.846 14.920 ( 5.538 -0.000 3.736) 6.681 15.762 ( 5.686 -0.000 -0.121) 5.687 15.811 ( 1.134 -0.000 5.018) 5.145 16.992 ( 0.580 -0.000 -0.174) 0.606 17.122 ( 5.963 -0.000 0.466) 5.981 ======================= Grid point 58 (25/60) ======================= q-point: ( 0.29 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 13.459 -3.403 8.049) 16.047 1.204 ( 11.993 -7.118 -3.127) 14.292 1.276 ( 12.578 -3.738 2.055) 13.282 1.352 ( 2.284 2.852 1.393) 3.910 1.527 ( 2.081 3.724 -0.969) 4.375 1.569 ( 11.517 -1.098 -11.878) 16.581 1.760 ( -4.132 -2.794 -0.557) 5.019 1.766 ( 2.276 -2.161 2.564) 4.053 1.889 ( 5.302 0.591 0.911) 5.412 1.995 ( -0.937 -4.359 1.408) 4.675 2.043 ( 10.492 -4.104 13.823) 17.833 2.170 ( 1.242 -0.886 0.836) 1.739 2.205 ( 1.598 2.049 -8.465) 8.855 2.288 ( -0.388 -2.951 0.402) 3.004 2.378 ( -4.448 0.488 -0.365) 4.490 2.436 ( 2.592 -3.580 -3.945) 5.925 2.475 ( -0.835 -0.042 8.149) 8.192 2.589 ( -2.232 -1.593 2.284) 3.569 2.690 ( 4.520 -0.575 -3.565) 5.786 2.777 ( 4.877 0.878 -7.104) 8.662 2.834 ( 5.092 -2.029 -2.518) 6.032 2.956 ( -1.511 -1.564 -2.563) 3.361 2.991 ( 0.284 -0.482 0.761) 0.945 3.065 ( 0.546 2.716 -0.567) 2.828 3.162 ( -0.398 0.577 0.820) 1.079 3.221 ( 0.934 -2.571 -1.412) 3.078 3.361 ( -1.385 -0.732 3.294) 3.647 3.421 ( 1.518 -0.194 -1.683) 2.275 3.432 ( 0.868 0.504 2.063) 2.294 3.496 ( -2.059 0.175 -2.616) 3.334 3.725 ( -2.230 -2.453 -0.555) 3.362 3.767 ( -0.006 -2.850 1.103) 3.056 3.882 ( 3.078 -0.909 1.158) 3.412 3.988 ( 0.671 1.559 -1.509) 2.271 4.031 ( 4.262 -2.781 -0.282) 5.097 4.109 ( 2.964 1.417 2.927) 4.400 4.133 ( 1.981 1.239 1.123) 2.592 4.189 ( -0.619 -1.085 0.724) 1.443 4.195 ( 3.094 2.175 0.288) 3.793 4.258 ( -0.576 1.179 -4.681) 4.861 4.290 ( -2.226 2.261 -1.568) 3.539 4.325 ( 1.815 -1.625 2.335) 3.375 4.345 ( 0.595 -1.018 -1.469) 1.884 4.397 ( 0.440 0.073 2.714) 2.750 4.437 ( 2.613 2.084 1.210) 3.555 4.460 ( 1.736 2.129 -2.227) 3.537 4.497 ( 1.691 0.982 -0.318) 1.981 4.544 ( -0.829 -0.378 1.228) 1.530 4.602 ( -3.688 0.169 1.726) 4.075 4.649 ( 0.194 1.467 -0.423) 1.539 4.699 ( 1.290 0.716 -2.388) 2.807 4.751 ( 1.722 0.149 -1.407) 2.228 4.782 ( -1.695 0.724 -2.073) 2.774 4.851 ( -2.415 1.305 -1.783) 3.273 4.855 ( -2.241 0.075 3.781) 4.396 4.902 ( -1.497 -0.536 2.130) 2.658 4.986 ( -1.113 1.519 0.560) 1.965 5.010 ( 0.322 2.317 -0.469) 2.386 5.084 ( -2.149 0.498 2.321) 3.202 5.102 ( 2.410 -1.197 1.456) 3.060 5.119 ( -2.464 0.830 1.005) 2.787 5.197 ( -1.750 0.552 -2.090) 2.781 5.232 ( -4.359 0.364 1.108) 4.512 5.305 ( -1.412 0.219 -4.460) 4.684 5.321 ( -0.994 4.055 -1.314) 4.377 5.342 ( -1.777 3.283 2.330) 4.401 5.455 ( -5.231 -2.402 2.343) 6.215 5.548 ( -4.410 -1.242 0.393) 4.598 5.588 ( -5.363 2.750 -2.352) 6.469 5.658 ( 0.101 2.279 2.354) 3.278 6.100 ( -0.699 -3.219 -2.897) 4.387 6.157 ( 0.175 -3.077 1.060) 3.259 12.210 ( -0.622 0.820 -0.803) 1.306 12.280 ( 0.479 -0.407 1.223) 1.375 13.659 ( -5.946 3.173 -7.525) 10.102 13.987 ( -10.493 4.147 9.945) 15.040 14.395 ( 6.580 11.328 -1.879) 13.234 14.598 ( 1.618 0.654 -2.533) 3.076 14.695 ( 0.616 0.357 0.668) 0.976 14.990 ( 4.340 4.732 -0.568) 6.446 15.778 ( -0.094 -7.210 -0.844) 7.259 16.106 ( 2.149 -20.527 4.820) 21.194 17.036 ( 0.664 -3.957 0.259) 4.020 17.234 ( 6.171 -3.849 0.399) 7.284 ======================= Grid point 59 (26/60) ======================= q-point: ( 0.43 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -2.067 3.899 2.035) 4.859 1.284 ( 13.823 1.403 1.597) 13.985 1.336 ( -1.426 6.803 8.200) 10.750 1.446 ( 9.751 -2.589 -4.546) 11.066 1.554 ( 6.905 -1.602 -3.900) 8.091 1.621 ( 5.069 -1.030 -7.880) 9.426 1.749 ( -0.179 -4.994 -7.240) 8.797 1.842 ( -2.461 0.296 2.373) 3.431 1.901 ( 1.498 -1.975 0.265) 2.493 2.030 ( -2.675 -1.836 2.024) 3.824 2.152 ( 1.184 -0.585 -1.545) 2.033 2.201 ( -0.879 -0.071 1.522) 1.758 2.276 ( -0.432 -4.091 1.001) 4.234 2.316 ( -0.199 -0.191 0.414) 0.498 2.411 ( 4.941 -3.086 3.129) 6.613 2.479 ( 4.971 4.968 0.113) 7.029 2.520 ( 0.457 -4.413 -1.484) 4.678 2.600 ( -4.992 -4.172 6.125) 8.935 2.732 ( 4.673 0.795 -3.231) 5.736 2.838 ( 8.249 -0.613 -0.534) 8.289 2.915 ( 6.578 -0.367 -1.553) 6.769 2.953 ( 0.373 -1.359 -3.498) 3.771 3.019 ( 0.598 2.791 0.950) 3.008 3.025 ( -0.897 -0.458 2.690) 2.872 3.151 ( -1.496 -0.319 0.898) 1.774 3.273 ( 1.909 -3.463 -2.046) 4.452 3.367 ( -0.314 1.492 0.701) 1.678 3.381 ( -3.151 0.570 -0.727) 3.284 3.460 ( 2.910 1.085 1.497) 3.448 3.507 ( 5.145 -0.246 -0.554) 5.181 3.756 ( -1.829 -6.052 0.551) 6.346 3.819 ( -0.070 -3.322 1.412) 3.610 3.940 ( 2.859 -1.163 0.716) 3.169 3.957 ( -0.275 1.611 -0.543) 1.722 4.089 ( 0.513 0.154 -0.012) 0.535 4.134 ( -0.288 -1.184 -0.627) 1.370 4.152 ( 2.793 0.015 2.535) 3.772 4.177 ( -0.130 5.001 -1.316) 5.172 4.208 ( 0.241 0.201 -3.716) 3.729 4.224 ( 1.580 1.283 -0.922) 2.234 4.233 ( 0.996 -0.176 1.591) 1.886 4.347 ( -0.412 1.219 -0.864) 1.550 4.356 ( 1.068 -0.846 -0.970) 1.673 4.391 ( -0.601 2.398 2.364) 3.421 4.417 ( 0.397 3.247 -1.409) 3.562 4.431 ( -0.206 1.963 2.369) 3.083 4.511 ( 1.738 0.699 0.188) 1.883 4.565 ( 0.372 -0.402 1.878) 1.956 4.572 ( -0.579 -0.361 -0.835) 1.079 4.638 ( -0.184 0.455 -0.261) 0.556 4.677 ( -0.477 1.074 -2.468) 2.734 4.726 ( -0.865 1.272 -4.332) 4.597 4.742 ( -2.287 1.525 -0.881) 2.886 4.808 ( -0.785 0.322 -0.800) 1.166 4.828 ( -3.095 0.797 3.582) 4.800 4.900 ( -1.211 0.300 2.664) 2.942 4.936 ( -2.870 2.052 1.186) 3.722 4.984 ( -0.184 0.684 -1.279) 1.462 5.028 ( -3.743 2.381 0.002) 4.436 5.087 ( -2.287 -0.110 1.406) 2.687 5.135 ( -0.764 0.848 1.500) 1.885 5.156 ( -2.248 1.372 1.262) 2.921 5.198 ( -0.432 -1.272 0.209) 1.359 5.248 ( -0.731 0.157 -2.348) 2.464 5.286 ( -2.278 2.771 1.688) 3.965 5.310 ( 1.371 -0.402 -3.360) 3.651 5.445 ( -1.798 -1.454 0.086) 2.314 5.488 ( -3.322 -0.125 -0.330) 3.341 5.531 ( -2.150 -0.983 0.451) 2.407 5.660 ( 2.830 1.265 1.690) 3.531 6.131 ( -1.388 -4.031 -1.246) 4.442 6.208 ( -0.436 -3.172 0.652) 3.267 12.201 ( 0.315 -0.036 -0.572) 0.654 12.297 ( 0.420 -0.323 1.111) 1.231 13.505 ( -3.882 3.923 -5.058) 7.486 13.864 ( -5.146 3.762 4.301) 7.690 14.338 ( 4.813 6.659 -0.714) 8.247 14.573 ( 0.062 2.449 -1.362) 2.802 14.687 ( 0.140 1.604 0.663) 1.741 14.916 ( 3.136 9.061 -1.593) 9.719 15.915 ( -1.145 -11.800 -1.967) 12.018 16.436 ( 0.520 -19.000 5.058) 19.668 17.098 ( 0.043 -3.270 0.436) 3.299 17.364 ( 5.072 -3.344 0.319) 6.084 ======================= Grid point 60 (27/60) ======================= q-point: (-0.43 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -4.207 10.375 6.459) 12.925 1.183 ( -0.128 11.961 7.827) 14.295 1.392 ( 6.576 6.587 -4.173) 10.200 1.507 ( 6.035 4.903 -1.145) 7.859 1.596 ( 2.688 -0.176 -6.273) 6.827 1.680 ( -4.329 -2.557 -2.190) 5.484 1.750 ( 1.948 -0.035 -1.091) 2.233 1.838 ( 3.353 -5.108 -5.716) 8.367 1.961 ( -0.690 -0.418 -1.700) 1.881 2.009 ( -3.209 0.767 2.465) 4.119 2.113 ( -6.608 5.841 -0.261) 8.823 2.194 ( 0.365 -1.897 0.138) 1.937 2.258 ( 0.421 1.542 -0.305) 1.627 2.331 ( -1.347 2.998 1.998) 3.846 2.402 ( 3.345 0.975 1.685) 3.870 2.510 ( 2.910 0.793 -2.072) 3.659 2.547 ( -1.254 -0.213 1.089) 1.674 2.663 ( -1.799 -5.371 2.919) 6.373 2.780 ( 4.334 -2.381 -4.514) 6.695 2.887 ( 0.413 4.263 4.588) 6.277 2.923 ( -0.042 1.999 -1.040) 2.254 2.956 ( -0.119 3.749 -4.064) 5.531 3.004 ( -2.183 -0.871 2.179) 3.205 3.040 ( 0.948 1.663 6.496) 6.772 3.125 ( -2.053 1.548 -0.490) 2.617 3.319 ( 3.199 3.720 -3.702) 6.147 3.372 ( 3.019 -6.811 -0.060) 7.451 3.410 ( 2.447 -3.988 -0.578) 4.715 3.490 ( 3.189 0.535 0.463) 3.267 3.592 ( 9.005 0.834 -0.926) 9.091 3.826 ( -2.209 -3.724 -0.173) 4.334 3.855 ( -0.351 -1.617 -0.295) 1.681 3.935 ( 0.982 1.501 0.832) 1.977 3.987 ( -0.143 -0.927 0.276) 0.978 4.086 ( -0.279 2.175 -1.061) 2.436 4.095 ( 0.735 1.517 -1.140) 2.035 4.136 ( 1.766 0.073 -0.494) 1.835 4.156 ( 1.003 0.759 -2.245) 2.573 4.223 ( -0.405 -0.905 -0.421) 1.077 4.228 ( 1.775 2.188 -0.080) 2.819 4.275 ( 2.167 -0.982 2.071) 3.154 4.307 ( -0.917 1.431 -0.043) 1.700 4.351 ( -0.574 1.427 0.092) 1.540 4.375 ( -0.381 -0.058 2.362) 2.393 4.394 ( -0.978 1.890 0.736) 2.252 4.397 ( -0.167 0.401 -0.658) 0.788 4.515 ( -1.026 1.692 -1.131) 2.279 4.546 ( -1.144 1.452 -0.722) 1.985 4.563 ( -0.644 1.398 -1.685) 2.282 4.602 ( 1.277 -0.536 -0.968) 1.690 4.659 ( -3.814 0.867 0.709) 3.975 4.676 ( -0.026 1.253 0.736) 1.453 4.704 ( -0.179 0.636 1.201) 1.370 4.798 ( -1.616 0.029 1.849) 2.456 4.820 ( -0.081 -1.913 0.007) 1.914 4.861 ( -3.921 1.053 1.447) 4.309 4.897 ( -2.617 1.589 -0.023) 3.062 4.966 ( -2.292 -0.538 1.960) 3.063 4.987 ( 0.147 -2.956 -1.256) 3.215 5.074 ( -1.593 -0.024 1.250) 2.025 5.097 ( -2.229 1.131 2.403) 3.468 5.147 ( -1.369 -1.620 0.626) 2.211 5.192 ( -2.535 0.377 0.744) 2.668 5.227 ( -1.744 0.269 -2.688) 3.216 5.259 ( 1.026 -1.106 0.961) 1.789 5.327 ( 1.322 -1.960 -5.211) 5.722 5.456 ( 2.494 -1.446 -0.152) 2.886 5.498 ( -1.558 -1.760 2.382) 3.347 5.545 ( 1.184 -2.111 -0.302) 2.439 5.703 ( 3.986 -0.119 0.217) 3.994 6.156 ( -1.806 -2.342 0.237) 2.967 6.236 ( -0.769 -1.426 0.336) 1.655 12.205 ( 0.477 -0.102 -0.471) 0.678 12.306 ( -0.255 -0.074 0.396) 0.476 13.422 ( -0.321 1.338 -0.922) 1.656 13.820 ( -1.214 -2.068 0.402) 2.431 14.299 ( 3.263 5.492 -0.512) 6.409 14.522 ( -2.195 1.797 -1.063) 3.029 14.671 ( -0.277 0.927 0.813) 1.263 14.825 ( 1.507 6.157 -1.514) 6.517 16.028 ( -0.021 -4.707 0.473) 4.731 16.697 ( 0.236 -14.354 -0.713) 14.373 17.131 ( 0.382 -0.555 1.541) 1.682 17.442 ( 3.731 0.677 -0.186) 3.796 ======================= Grid point 61 (28/60) ======================= q-point: (-0.29 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -3.042 13.725 10.934) 17.810 1.020 ( -2.746 15.525 12.051) 19.845 1.295 ( 1.256 9.254 -4.995) 10.591 1.462 ( 4.376 8.600 -1.543) 9.772 1.533 ( -7.570 7.247 1.843) 10.641 1.554 ( -3.435 4.424 -2.969) 6.339 1.701 ( -4.239 11.571 -2.785) 12.634 1.857 ( 5.560 2.989 1.448) 6.476 1.951 ( 0.326 -2.403 -4.249) 4.893 1.977 ( -3.737 1.803 -2.338) 4.763 1.996 ( -1.462 -3.022 -1.370) 3.626 2.183 ( -1.006 0.835 -0.644) 1.458 2.246 ( 1.323 4.645 -0.852) 4.904 2.309 ( 4.966 2.874 1.539) 5.940 2.477 ( 1.713 1.507 3.679) 4.329 2.501 ( 2.596 1.298 -0.094) 2.904 2.552 ( -0.919 -5.513 -1.465) 5.778 2.719 ( -1.825 -3.878 1.173) 4.443 2.808 ( -4.691 5.241 1.542) 7.201 2.836 ( 0.907 -0.438 -4.570) 4.679 2.855 ( 3.398 4.744 -3.603) 6.858 2.900 ( -2.193 -1.986 0.786) 3.061 2.984 ( -1.050 -0.491 -0.161) 1.171 3.032 ( -3.016 2.548 3.440) 5.237 3.087 ( 0.775 1.770 1.844) 2.670 3.273 ( 2.062 4.617 -1.936) 5.415 3.464 ( -0.153 -1.126 0.808) 1.394 3.500 ( 1.773 -4.644 -1.793) 5.285 3.543 ( 4.468 -0.796 -2.100) 5.001 3.673 ( 8.856 3.132 -3.518) 10.030 3.783 ( -3.677 0.899 -2.609) 4.597 3.836 ( -3.429 1.698 -1.372) 4.065 3.929 ( 2.182 4.462 -3.005) 5.805 3.939 ( -5.561 2.282 0.157) 6.013 4.065 ( 0.976 -0.635 -0.033) 1.165 4.090 ( 2.836 1.066 0.331) 3.048 4.142 ( 0.079 3.360 -1.922) 3.872 4.169 ( 0.171 0.929 0.264) 0.981 4.193 ( -1.302 0.822 0.821) 1.745 4.229 ( -0.464 -1.191 -0.761) 1.488 4.278 ( 1.794 1.287 1.613) 2.735 4.316 ( -2.581 0.748 -1.150) 2.923 4.347 ( 2.793 -2.450 0.330) 3.730 4.352 ( -0.256 1.529 0.503) 1.629 4.389 ( -0.040 0.091 -0.572) 0.581 4.407 ( -1.748 -1.402 1.457) 2.673 4.426 ( -0.922 1.978 0.042) 2.183 4.529 ( 1.491 -0.583 -0.916) 1.845 4.582 ( -1.553 0.403 0.639) 1.727 4.596 ( -1.265 0.776 0.375) 1.531 4.634 ( 1.401 -0.316 5.010) 5.212 4.691 ( -1.107 -2.053 3.630) 4.315 4.717 ( 3.270 0.579 1.754) 3.755 4.784 ( -3.313 0.268 2.278) 4.029 4.838 ( -1.173 -1.915 0.137) 2.250 4.845 ( -4.022 -3.014 2.693) 5.703 4.863 ( -0.054 -2.071 0.650) 2.171 4.981 ( -0.979 -2.823 1.687) 3.431 5.028 ( 0.568 -0.915 -1.399) 1.766 5.059 ( -1.284 -0.163 -0.080) 1.297 5.090 ( -0.520 0.047 1.402) 1.496 5.148 ( -1.864 -3.136 0.731) 3.721 5.202 ( 0.318 -0.832 -1.570) 1.805 5.220 ( 0.572 -5.072 0.275) 5.112 5.300 ( 0.256 -2.598 0.943) 2.776 5.346 ( 1.421 -2.633 -6.199) 6.883 5.498 ( -1.699 0.016 1.511) 2.274 5.532 ( 2.849 -2.487 1.945) 4.253 5.607 ( 1.917 -3.409 -0.652) 3.965 5.748 ( 2.337 -0.328 -1.055) 2.585 6.154 ( -1.010 0.539 1.314) 1.743 6.232 ( -0.679 0.842 -0.127) 1.089 12.211 ( 0.728 -0.102 -0.289) 0.790 12.294 ( -1.138 0.385 -1.061) 1.603 13.457 ( 2.995 -2.757 5.285) 6.671 13.890 ( -0.507 -7.998 -1.261) 8.112 14.270 ( 2.957 3.291 0.492) 4.452 14.464 ( -3.955 -1.063 -1.745) 4.452 14.659 ( -1.349 -0.161 0.891) 1.625 14.768 ( 1.156 3.008 -1.929) 3.756 16.044 ( 1.416 5.312 4.421) 7.055 16.816 ( 0.202 -5.702 -12.100) 13.378 17.151 ( 1.527 1.355 3.192) 3.789 17.422 ( 1.010 6.023 -2.689) 6.672 ======================= Grid point 62 (29/60) ======================= q-point: (-0.14 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -4.812 17.610 9.659) 20.653 0.857 ( -0.959 14.760 15.650) 21.533 1.160 ( 5.445 10.258 -2.043) 11.792 1.290 ( 1.560 20.040 16.858) 26.234 1.374 ( -0.330 10.592 -6.380) 12.369 1.393 ( 0.174 6.897 0.558) 6.922 1.577 ( 1.537 3.165 -5.552) 6.573 1.844 ( -1.036 3.740 2.809) 4.791 1.892 ( -0.963 -0.409 -4.377) 4.500 1.967 ( -1.901 -3.396 -0.966) 4.010 2.040 ( 1.163 -0.537 -1.482) 1.959 2.115 ( -2.261 4.117 -2.512) 5.326 2.207 ( 2.487 3.889 1.876) 4.983 2.341 ( 3.706 3.078 4.134) 6.348 2.441 ( -0.494 1.647 -3.106) 3.550 2.534 ( -0.140 -2.200 0.776) 2.337 2.617 ( -3.038 -2.672 -4.305) 5.907 2.707 ( -2.541 -0.848 -2.086) 3.395 2.728 ( 2.193 1.699 -5.034) 5.748 2.788 ( -0.009 1.885 -4.148) 4.556 2.817 ( -2.209 2.716 2.104) 4.084 2.943 ( 0.993 -2.880 0.662) 3.117 2.978 ( 0.608 1.481 1.317) 2.073 3.010 ( 1.170 -2.380 -2.364) 3.553 3.093 ( 0.955 2.222 4.307) 4.940 3.229 ( 0.676 2.705 -0.628) 2.858 3.460 ( -3.243 -1.079 -0.174) 3.422 3.524 ( -2.063 -0.829 -2.044) 3.020 3.578 ( 2.489 0.160 -3.118) 3.993 3.656 ( -2.671 5.085 -6.662) 8.796 3.707 ( 3.304 4.543 -0.757) 5.668 3.747 ( -1.469 2.139 -1.973) 3.260 3.819 ( -3.292 3.995 0.329) 5.187 3.859 ( 3.142 5.639 -1.882) 6.724 4.043 ( -0.970 4.750 -0.545) 4.878 4.068 ( 0.155 3.598 -1.181) 3.790 4.122 ( 0.219 0.387 0.973) 1.070 4.139 ( -3.748 -1.754 0.573) 4.177 4.204 ( 2.501 -2.018 0.764) 3.303 4.242 ( 0.269 1.562 -0.535) 1.673 4.281 ( 2.058 -0.627 1.376) 2.554 4.310 ( 0.862 -1.139 0.317) 1.462 4.349 ( -1.498 0.020 -0.440) 1.561 4.358 ( -0.611 0.795 -1.167) 1.539 4.390 ( -1.235 -2.226 2.087) 3.292 4.428 ( -1.515 0.313 0.900) 1.790 4.449 ( 3.497 -2.898 0.732) 4.600 4.551 ( -1.404 0.859 -0.926) 1.889 4.580 ( 3.221 -1.018 0.640) 3.438 4.587 ( 1.669 -1.101 -1.844) 2.720 4.691 ( -0.338 -0.927 4.058) 4.176 4.713 ( -1.074 -0.779 5.343) 5.506 4.740 ( -2.088 -0.376 2.883) 3.580 4.820 ( 2.322 -3.273 2.730) 4.853 4.854 ( 0.371 -3.150 3.566) 4.772 4.885 ( -0.423 -0.759 1.239) 1.514 4.911 ( -0.189 -4.932 1.367) 5.121 5.016 ( 0.733 1.021 -0.292) 1.290 5.031 ( -0.025 -0.767 0.252) 0.808 5.061 ( -1.476 -3.777 2.374) 4.699 5.075 ( -0.299 0.190 -1.741) 1.776 5.192 ( 1.134 -1.532 1.606) 2.492 5.250 ( 0.913 -3.358 1.436) 3.764 5.319 ( 0.829 -5.679 -1.291) 5.882 5.357 ( 0.611 -3.823 -3.422) 5.168 5.369 ( -1.195 -4.498 0.893) 4.739 5.483 ( -0.815 -0.480 -0.011) 0.946 5.601 ( -0.070 -2.436 3.305) 4.106 5.672 ( 0.475 -4.194 -2.041) 4.689 5.750 ( -1.033 0.071 -1.342) 1.695 6.136 ( 1.034 2.797 1.734) 3.449 6.198 ( -0.477 2.356 -0.803) 2.534 12.229 ( 1.153 -0.703 0.363) 1.398 12.264 ( -1.471 -0.119 -1.704) 2.254 13.656 ( 7.647 -10.530 12.257) 17.877 13.949 ( -4.877 -4.604 -2.336) 7.102 14.264 ( -3.885 0.308 4.111) 5.664 14.502 ( 1.986 -9.144 -3.289) 9.918 14.667 ( 0.986 -1.662 0.727) 2.064 14.738 ( 0.870 1.154 -2.797) 3.148 15.970 ( 2.471 12.276 7.481) 14.587 16.693 ( -4.495 10.033 -25.923) 28.158 17.140 ( 1.668 5.171 1.767) 5.713 17.237 ( -5.090 12.326 -4.671) 14.129 ======================= Grid point 65 (30/60) ======================= q-point: ( 0.29 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.520 -0.000 9.005) 10.076 1.270 ( 14.055 -0.000 -10.922) 17.800 1.412 ( 4.487 -0.000 -2.477) 5.125 1.437 ( 6.478 -0.000 6.292) 9.031 1.568 ( 4.284 -0.000 -5.738) 7.161 1.624 ( 6.982 -0.000 -10.262) 12.412 1.759 ( 2.388 -0.000 -2.787) 3.670 1.780 ( 3.629 -0.000 4.004) 5.404 1.917 ( -1.180 0.000 2.718) 2.963 1.978 ( 2.243 -0.000 1.941) 2.966 2.178 ( 0.973 -0.000 -2.672) 2.844 2.189 ( 3.845 -0.000 0.606) 3.893 2.204 ( 0.260 -0.000 -2.490) 2.504 2.298 ( 8.611 -0.000 4.362) 9.653 2.354 ( -4.086 0.000 4.719) 6.242 2.365 ( -2.045 0.000 -0.798) 2.195 2.515 ( -1.410 0.000 7.676) 7.805 2.601 ( 3.352 -0.000 -0.333) 3.368 2.755 ( 9.040 -0.000 -2.020) 9.263 2.837 ( 6.061 -0.000 -5.819) 8.402 2.870 ( 9.786 -0.000 -5.939) 11.448 2.930 ( -0.628 0.000 2.199) 2.287 3.003 ( 1.753 -0.000 1.080) 2.059 3.093 ( 0.870 -0.000 0.335) 0.932 3.164 ( -2.187 0.000 -0.751) 2.312 3.194 ( 0.932 -0.000 -0.009) 0.932 3.364 ( -1.319 0.000 2.774) 3.072 3.427 ( 2.739 -0.000 -2.119) 3.463 3.480 ( 1.202 -0.000 1.376) 1.827 3.501 ( 4.830 -0.000 1.852) 5.173 3.685 ( -2.063 0.000 -0.008) 2.063 3.709 ( -4.166 0.000 2.243) 4.731 3.938 ( 4.886 -0.000 1.024) 4.992 3.980 ( -2.238 0.000 -0.540) 2.302 4.063 ( 2.929 -0.000 -0.523) 2.975 4.130 ( -0.518 0.000 -1.686) 1.764 4.184 ( 0.381 -0.000 -0.230) 0.445 4.203 ( 0.825 -0.000 4.280) 4.359 4.206 ( -1.354 0.000 0.222) 1.372 4.251 ( 3.575 -0.000 -3.856) 5.259 4.292 ( 1.219 -0.000 -4.040) 4.220 4.331 ( 0.384 -0.000 -1.758) 1.800 4.368 ( 1.425 -0.000 5.801) 5.973 4.422 ( 0.208 -0.000 0.488) 0.531 4.477 ( 1.861 -0.000 -1.980) 2.717 4.495 ( 3.497 -0.000 -0.643) 3.555 4.532 ( 0.784 -0.000 1.632) 1.811 4.542 ( -0.441 0.000 2.591) 2.628 4.561 ( -3.054 0.000 -0.012) 3.054 4.662 ( 0.471 -0.000 -0.010) 0.471 4.677 ( -2.253 0.000 -3.587) 4.236 4.758 ( 1.333 -0.000 -4.205) 4.411 4.764 ( -0.847 0.000 -2.417) 2.561 4.812 ( -2.958 0.000 -1.022) 3.129 4.833 ( -2.637 0.000 3.174) 4.126 4.903 ( -2.271 0.000 4.396) 4.948 4.979 ( -1.779 0.000 1.758) 2.501 5.025 ( -1.449 0.000 0.977) 1.747 5.074 ( -2.406 0.000 -0.812) 2.539 5.080 ( -4.978 0.000 1.718) 5.266 5.119 ( 1.216 -0.000 2.051) 2.385 5.157 ( -0.680 0.000 -2.616) 2.703 5.200 ( -2.599 0.000 0.380) 2.626 5.259 ( -2.191 0.000 -5.584) 5.998 5.342 ( -4.397 0.000 1.920) 4.798 5.354 ( -3.930 0.000 3.069) 4.987 5.372 ( -0.344 0.000 0.521) 0.624 5.492 ( -3.140 0.000 1.767) 3.603 5.519 ( -5.101 0.000 -3.587) 6.236 5.693 ( 1.011 -0.000 1.239) 1.600 6.051 ( -0.482 0.000 -2.827) 2.868 6.136 ( -0.343 0.000 0.782) 0.854 12.206 ( -0.218 0.000 -0.626) 0.663 12.292 ( 0.789 -0.000 1.120) 1.370 13.580 ( -4.458 0.000 -6.160) 7.604 13.926 ( -9.889 0.000 7.658) 12.508 14.524 ( -2.229 0.000 3.438) 4.097 14.613 ( 6.594 -0.000 -10.309) 12.237 14.726 ( 1.639 -0.000 2.611) 3.082 15.053 ( 3.150 -0.000 0.971) 3.296 15.841 ( -3.484 0.000 5.464) 6.480 15.910 ( 6.244 -0.000 -2.431) 6.701 17.028 ( 1.425 -0.000 1.789) 2.287 17.287 ( 6.650 -0.000 -0.968) 6.720 ======================= Grid point 66 (31/60) ======================= q-point: ( 0.43 0.29 -0.75) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -3.350 -3.310 1.124) 4.842 1.416 ( 7.686 -3.859 -4.699) 9.801 1.439 ( 2.332 1.866 4.478) 5.383 1.509 ( 6.303 -3.478 -2.933) 7.773 1.580 ( 2.856 3.371 -6.549) 7.900 1.668 ( 8.521 0.038 -8.965) 12.369 1.753 ( 4.995 4.155 -1.655) 6.704 1.841 ( 0.392 0.829 0.188) 0.936 1.906 ( 0.861 1.815 3.392) 3.942 2.030 ( 2.068 -0.140 3.492) 4.061 2.150 ( -0.228 0.229 -3.278) 3.294 2.201 ( -1.192 -1.982 -0.335) 2.337 2.220 ( 0.617 0.486 1.469) 1.666 2.285 ( -3.565 -0.062 -0.403) 3.589 2.401 ( -2.277 -6.437 -0.252) 6.832 2.443 ( 2.980 -1.485 2.160) 3.969 2.549 ( -1.201 -2.445 4.883) 5.592 2.639 ( 7.721 3.512 -2.439) 8.826 2.814 ( 3.248 3.037 0.253) 4.454 2.901 ( 2.056 -0.931 0.622) 2.341 2.942 ( 0.833 -0.301 0.101) 0.892 2.987 ( 10.552 -1.632 -4.956) 11.771 3.055 ( 2.405 -0.658 2.699) 3.674 3.070 ( 1.492 4.308 1.735) 4.879 3.159 ( 0.772 -0.303 2.275) 2.421 3.220 ( -0.543 -2.304 0.516) 2.423 3.358 ( 0.373 -0.242 -0.503) 0.672 3.447 ( 5.215 2.969 -0.594) 6.030 3.510 ( 2.045 0.933 2.337) 3.243 3.591 ( 6.812 -0.806 1.388) 6.998 3.658 ( -1.545 -3.016 0.824) 3.487 3.758 ( -0.282 -5.629 2.418) 6.132 3.942 ( -2.563 -0.092 -0.087) 2.566 4.000 ( 4.453 0.556 0.781) 4.555 4.062 ( -3.691 -1.030 -1.233) 4.026 4.103 ( -1.873 -0.141 -0.444) 1.930 4.187 ( 0.389 0.380 0.568) 0.786 4.196 ( 0.757 -0.608 -0.194) 0.991 4.212 ( 0.376 0.749 0.126) 0.847 4.258 ( 1.376 3.511 -4.449) 5.832 4.294 ( 4.513 1.295 -0.797) 4.762 4.335 ( -0.059 -0.957 -3.041) 3.188 4.383 ( -0.661 1.583 3.566) 3.957 4.416 ( 0.032 0.413 -0.040) 0.417 4.465 ( -0.417 2.981 0.752) 3.102 4.472 ( -0.753 3.587 0.108) 3.666 4.542 ( -2.481 -0.575 0.294) 2.563 4.555 ( 2.061 0.453 1.538) 2.611 4.564 ( 0.343 -1.037 0.253) 1.121 4.628 ( -1.575 -0.098 -3.678) 4.002 4.662 ( -0.476 1.061 -1.004) 1.536 4.722 ( -0.513 1.226 -0.860) 1.584 4.732 ( -1.750 1.524 -2.080) 3.116 4.787 ( -1.375 -0.553 -0.427) 1.542 4.820 ( -2.172 0.793 3.335) 4.058 4.898 ( -1.081 -0.846 3.427) 3.692 4.955 ( -1.123 3.081 1.689) 3.688 4.983 ( -2.880 2.184 0.445) 3.641 5.014 ( -2.811 1.833 -1.367) 3.624 5.048 ( -2.263 -1.579 0.807) 2.875 5.137 ( -1.965 0.461 1.119) 2.308 5.150 ( -2.548 1.393 0.002) 2.904 5.168 ( 0.050 -1.879 0.912) 2.089 5.212 ( -1.455 -0.941 -3.567) 3.966 5.278 ( -3.593 0.487 0.183) 3.630 5.318 ( -1.374 2.238 -0.277) 2.641 5.390 ( -1.274 -2.890 -0.192) 3.164 5.461 ( -0.349 -0.270 -1.659) 1.717 5.488 ( -1.871 -1.698 2.165) 3.328 5.707 ( 2.008 0.412 -0.613) 2.139 6.058 ( -0.640 -2.890 -0.743) 3.052 6.155 ( -0.847 -2.870 0.415) 3.021 12.205 ( 0.502 0.087 -0.211) 0.551 12.303 ( 0.270 0.001 0.260) 0.374 13.497 ( -1.726 2.411 -2.453) 3.848 13.836 ( -7.327 1.196 3.673) 8.283 14.475 ( 0.546 5.056 1.086) 5.200 14.607 ( 2.671 2.917 -6.036) 7.217 14.745 ( 1.666 2.660 3.284) 4.542 15.046 ( 1.212 5.966 -1.475) 6.264 15.802 ( 0.870 -3.384 1.559) 3.826 16.152 ( -0.318 -19.376 -0.347) 19.382 17.075 ( 1.042 -2.196 3.015) 3.872 17.377 ( 5.020 -2.844 -1.866) 6.064 ======================= Grid point 67 (32/60) ======================= q-point: (-0.43 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -1.987 0.618 1.568) 2.606 1.375 ( -1.512 6.528 6.899) 9.617 1.496 ( 2.299 6.518 -6.818) 9.708 1.565 ( 0.873 -0.792 -5.401) 5.528 1.603 ( 1.725 -3.958 1.651) 4.622 1.742 ( 6.117 9.657 -3.364) 11.916 1.746 ( 0.685 -0.463 -1.042) 1.330 1.788 ( 7.805 -6.180 -7.069) 12.210 1.929 ( 0.555 1.245 -1.844) 2.294 2.049 ( 1.115 2.496 0.480) 2.775 2.104 ( -3.426 3.430 -1.706) 5.139 2.180 ( -2.581 0.829 1.493) 3.094 2.242 ( -2.312 -4.751 5.249) 7.447 2.288 ( 1.836 -1.439 -1.680) 2.874 2.458 ( -1.594 -4.673 -2.672) 5.614 2.475 ( -0.554 0.236 4.204) 4.247 2.576 ( 0.392 -0.940 1.937) 2.188 2.653 ( 3.416 2.989 -0.909) 4.629 2.803 ( 2.298 2.612 -2.129) 4.079 2.889 ( -0.047 0.647 -2.430) 2.515 2.916 ( -4.765 1.349 -0.174) 4.955 3.012 ( 1.055 2.407 -4.333) 5.067 3.061 ( -0.459 6.141 7.641) 9.814 3.095 ( 0.379 -0.275 5.934) 5.952 3.170 ( 0.867 3.719 1.834) 4.236 3.305 ( 3.813 -7.316 -1.464) 8.379 3.373 ( 2.725 1.217 -0.845) 3.102 3.467 ( 5.017 3.731 -0.364) 6.263 3.548 ( 4.267 0.177 0.767) 4.339 3.682 ( 3.578 -1.990 -1.679) 4.425 3.732 ( 1.189 -4.014 1.544) 4.461 3.820 ( -0.744 -2.393 0.356) 2.532 3.948 ( 0.075 -2.540 2.195) 3.358 4.000 ( -2.016 1.066 -0.050) 2.281 4.050 ( -0.456 -2.027 -0.345) 2.106 4.126 ( 1.569 0.653 -1.098) 2.024 4.152 ( -0.153 0.110 0.271) 0.330 4.183 ( 0.429 1.718 -2.779) 3.295 4.217 ( 2.061 1.406 -0.674) 2.584 4.269 ( 3.680 -1.629 0.950) 4.135 4.303 ( -2.209 0.742 -1.575) 2.813 4.318 ( 3.279 1.089 -1.410) 3.732 4.356 ( -2.720 1.379 2.096) 3.701 4.391 ( -1.779 2.595 -0.444) 3.178 4.403 ( -0.704 2.903 -0.148) 2.990 4.435 ( 0.753 2.267 -0.159) 2.394 4.499 ( -3.466 1.146 -0.427) 3.675 4.546 ( -0.721 0.603 -0.899) 1.301 4.569 ( -0.585 -0.133 0.928) 1.105 4.601 ( -1.608 2.067 -2.444) 3.582 4.645 ( 2.287 -0.757 0.766) 2.528 4.686 ( -1.033 0.908 1.534) 2.061 4.717 ( -1.176 0.218 2.957) 3.190 4.771 ( -2.779 -0.621 1.948) 3.450 4.802 ( 0.629 0.836 0.074) 1.049 4.884 ( -1.159 3.756 -0.623) 3.980 4.913 ( -1.244 2.832 0.471) 3.129 4.944 ( -1.004 -0.322 0.916) 1.397 4.952 ( -0.493 0.147 0.654) 0.832 5.054 ( -0.625 -0.987 -0.556) 1.294 5.091 ( -3.245 0.921 1.052) 3.534 5.115 ( -2.316 0.029 1.811) 2.940 5.173 ( -1.774 0.491 2.402) 3.026 5.197 ( -0.607 -0.420 -2.677) 2.776 5.261 ( 0.567 -1.175 -0.541) 1.413 5.281 ( 0.339 -0.634 -5.005) 5.056 5.428 ( -0.720 -3.877 0.271) 3.952 5.488 ( 1.066 -1.420 1.964) 2.648 5.516 ( 0.269 -2.930 0.113) 2.945 5.726 ( 1.263 -0.797 -2.121) 2.594 6.099 ( -0.367 -3.336 1.294) 3.597 6.191 ( -0.858 -3.217 -0.026) 3.329 12.211 ( 0.671 0.037 0.118) 0.682 12.299 ( -0.629 0.077 -0.830) 1.044 13.459 ( 1.602 2.186 1.883) 3.300 13.764 ( -3.993 -0.666 -0.505) 4.079 14.417 ( 1.083 5.143 0.501) 5.280 14.544 ( 0.717 4.794 -4.059) 6.323 14.727 ( 0.579 4.332 3.423) 5.552 14.932 ( 0.450 8.118 -2.579) 8.529 15.942 ( 1.814 -9.554 3.356) 10.287 16.406 ( -2.525 -19.615 -4.350) 20.250 17.138 ( 0.842 -2.068 4.409) 4.942 17.453 ( 2.082 -2.499 -2.965) 4.401 ======================= Grid point 68 (33/60) ======================= q-point: (-0.29 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.666 7.247 9.244) 11.765 1.232 ( -5.555 13.243 6.575) 15.795 1.403 ( 2.637 5.143 -5.622) 8.063 1.533 ( -2.712 2.558 -5.198) 6.397 1.578 ( 4.740 3.707 0.374) 6.029 1.678 ( 5.653 8.055 -3.414) 10.416 1.779 ( -1.942 4.331 -1.104) 4.873 1.829 ( -5.367 -2.345 -0.258) 5.863 1.949 ( -3.494 4.225 -5.790) 7.974 1.959 ( 4.490 -3.741 -2.132) 6.221 2.040 ( 5.856 5.949 0.946) 8.401 2.170 ( -1.541 -0.531 0.847) 1.837 2.278 ( -1.696 0.321 3.178) 3.617 2.351 ( 1.534 -5.002 -0.601) 5.267 2.446 ( -1.813 -0.192 -0.158) 1.830 2.498 ( -0.969 -2.697 0.130) 2.868 2.614 ( 4.018 3.823 3.221) 6.414 2.665 ( -0.009 -0.896 0.500) 1.026 2.760 ( -3.422 -0.491 -4.421) 5.612 2.814 ( -1.644 1.730 -0.820) 2.523 2.898 ( 2.673 1.941 -2.880) 4.383 2.951 ( -1.169 1.862 -4.912) 5.382 2.993 ( 0.879 5.763 6.289) 8.575 3.086 ( -1.734 5.638 2.231) 6.306 3.138 ( -0.178 0.835 5.192) 5.261 3.357 ( 1.022 3.925 -0.402) 4.076 3.420 ( -0.284 -5.781 -2.945) 6.494 3.455 ( -0.678 1.149 -0.331) 1.375 3.592 ( 2.498 1.229 0.437) 2.818 3.686 ( -3.751 -1.773 -2.980) 5.108 3.795 ( 3.852 0.719 -2.102) 4.447 3.821 ( -0.232 0.476 -0.803) 0.962 3.947 ( -1.475 3.869 0.037) 4.140 4.012 ( 1.215 0.228 -0.070) 1.238 4.040 ( -1.878 2.024 -1.078) 2.964 4.101 ( 1.616 -3.096 -0.106) 3.494 4.145 ( -0.971 0.366 1.946) 2.206 4.194 ( 0.831 0.271 0.269) 0.915 4.228 ( -1.256 2.051 0.023) 2.405 4.258 ( 0.194 4.036 -0.328) 4.054 4.296 ( 0.637 1.538 -2.028) 2.624 4.322 ( -0.830 -0.024 -0.352) 0.902 4.335 ( 1.395 1.649 -0.000) 2.159 4.363 ( 0.094 -0.280 -0.596) 0.666 4.370 ( 1.768 -0.902 -0.866) 2.165 4.407 ( -0.345 1.244 0.157) 1.301 4.459 ( 1.027 1.239 2.324) 2.827 4.537 ( -1.854 -0.172 -1.736) 2.545 4.556 ( 0.323 -1.310 -0.023) 1.350 4.575 ( -0.972 -0.265 0.647) 1.197 4.660 ( -1.967 0.054 3.014) 3.599 4.695 ( 1.651 0.059 3.712) 4.063 4.753 ( 0.593 -2.437 3.458) 4.272 4.764 ( -2.015 -0.680 1.595) 2.658 4.820 ( 2.655 -0.161 1.660) 3.136 4.843 ( 0.174 1.043 0.721) 1.280 4.852 ( 0.867 2.301 -0.199) 2.467 4.934 ( -1.512 -2.013 1.331) 2.848 4.993 ( -0.405 -2.601 -0.261) 2.645 5.049 ( -0.316 0.420 -0.675) 0.855 5.057 ( -0.769 -1.265 -2.947) 3.298 5.106 ( -1.396 -1.209 2.418) 3.043 5.184 ( -0.139 -0.806 -0.639) 1.038 5.195 ( 1.457 -0.946 2.341) 2.915 5.283 ( 1.438 -1.316 -3.085) 3.649 5.289 ( 1.116 -2.050 -4.396) 4.977 5.461 ( -2.489 -2.490 1.191) 3.717 5.537 ( 0.346 -1.939 4.067) 4.518 5.571 ( 1.033 -3.483 -1.565) 3.956 5.729 ( -1.418 -1.383 -2.764) 3.400 6.150 ( 0.753 -1.826 2.156) 2.924 6.217 ( -0.476 -1.562 -0.517) 1.713 12.222 ( 0.900 0.008 0.481) 1.021 12.276 ( -1.287 0.456 -1.748) 2.218 13.498 ( 3.162 -0.760 5.991) 6.817 13.761 ( -1.965 -5.257 -3.699) 6.722 14.354 ( -1.403 4.418 0.850) 4.713 14.465 ( 2.422 4.754 -3.332) 6.290 14.680 ( -1.148 3.150 2.948) 4.464 14.828 ( 0.824 5.546 -2.776) 6.256 16.105 ( 2.154 -4.665 7.211) 8.855 16.580 ( -2.781 -14.105 -11.189) 18.218 17.197 ( 0.839 -0.746 5.561) 5.674 17.446 ( -1.850 1.774 -4.618) 5.281 ======================= Grid point 69 (34/60) ======================= q-point: (-0.14 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -2.413 15.024 6.434) 16.521 1.139 ( 2.687 9.010 14.501) 17.282 1.327 ( 3.448 7.989 -3.752) 9.476 1.411 ( -4.041 4.431 -1.995) 6.320 1.571 ( -0.974 2.389 -9.355) 9.704 1.605 ( 9.789 9.990 -7.336) 15.794 1.698 ( 8.437 9.469 10.547) 16.495 1.782 ( -4.862 -2.530 -3.656) 6.588 1.877 ( -1.609 2.098 4.059) 4.844 1.983 ( 0.499 3.011 3.469) 4.620 2.072 ( 5.202 2.006 -2.119) 5.965 2.145 ( 0.204 1.296 -0.367) 1.363 2.265 ( -1.030 1.786 3.471) 4.037 2.413 ( 0.413 -3.675 -6.509) 7.486 2.437 ( -4.056 -0.423 0.567) 4.117 2.487 ( 3.043 6.237 -2.524) 7.384 2.541 ( -7.040 -0.936 1.674) 7.297 2.678 ( 2.215 0.845 0.337) 2.395 2.761 ( 1.848 -0.078 -1.905) 2.655 2.788 ( 0.558 1.254 -4.593) 4.794 2.848 ( -2.168 5.448 -0.667) 5.902 2.908 ( -0.427 -2.602 0.299) 2.654 3.000 ( 1.188 -0.234 -0.284) 1.243 3.024 ( 1.961 2.151 1.047) 3.093 3.149 ( 0.176 1.394 4.525) 4.738 3.300 ( 2.323 5.225 -2.166) 6.115 3.397 ( -5.229 -0.346 -0.953) 5.326 3.454 ( -3.196 -2.902 -0.867) 4.403 3.571 ( -3.336 0.980 0.054) 3.477 3.617 ( -4.380 1.718 -3.813) 6.056 3.788 ( 3.531 2.668 -1.988) 4.851 3.810 ( 1.324 3.395 -0.923) 3.759 3.879 ( 1.864 2.971 -0.594) 3.557 3.968 ( 3.432 2.629 -1.648) 4.626 4.042 ( -2.334 -0.807 2.638) 3.614 4.092 ( -3.011 4.827 -0.855) 5.753 4.125 ( -0.128 3.651 -0.731) 3.725 4.171 ( 0.377 4.427 0.711) 4.500 4.209 ( 1.505 -2.092 0.931) 2.740 4.250 ( -1.326 -4.544 0.259) 4.740 4.267 ( -1.331 -0.752 1.081) 1.873 4.300 ( 0.292 0.453 -2.019) 2.090 4.346 ( 2.346 0.723 0.219) 2.465 4.361 ( -0.297 1.199 -1.241) 1.751 4.374 ( 1.679 0.093 -0.407) 1.730 4.441 ( -1.681 1.164 0.989) 2.271 4.456 ( 2.336 -1.190 0.005) 2.622 4.524 ( -2.354 -0.692 0.176) 2.460 4.576 ( 2.278 -2.545 -0.743) 3.495 4.613 ( 2.796 -0.774 -0.116) 2.903 4.663 ( -2.450 -0.324 2.826) 3.754 4.711 ( -0.910 -0.618 3.557) 3.724 4.775 ( -0.577 1.899 3.905) 4.381 4.784 ( 1.102 -2.810 0.701) 3.099 4.868 ( 0.572 -2.547 -1.137) 2.847 4.882 ( 0.317 -0.375 4.874) 4.898 4.889 ( 4.601 -2.181 1.018) 5.192 4.983 ( -0.492 -4.132 3.337) 5.334 5.003 ( -2.218 -3.135 -0.918) 3.948 5.046 ( -0.100 -0.734 -1.050) 1.285 5.060 ( 2.630 0.896 -1.218) 3.033 5.156 ( 0.483 -4.885 -0.407) 4.926 5.215 ( 0.362 -2.830 1.567) 3.256 5.239 ( -0.142 -3.321 -1.305) 3.571 5.299 ( 0.673 -1.401 -4.999) 5.235 5.321 ( 1.655 -2.202 -1.097) 2.965 5.460 ( -2.250 -1.203 2.198) 3.367 5.579 ( -2.015 -1.777 4.768) 5.473 5.612 ( -0.352 -2.784 -1.890) 3.383 5.697 ( -4.149 -0.994 -2.473) 4.931 6.186 ( 1.563 0.612 1.844) 2.493 6.214 ( -0.185 0.932 -0.821) 1.255 12.235 ( -0.621 0.340 -0.495) 0.864 12.247 ( 0.727 0.036 -0.493) 0.879 13.631 ( 2.001 -7.745 8.684) 11.807 13.791 ( -3.501 -5.619 -5.149) 8.388 14.265 ( -3.177 2.952 0.402) 4.356 14.477 ( 5.767 -0.847 -1.737) 6.082 14.669 ( 1.136 -1.228 1.429) 2.201 14.755 ( -0.198 3.391 -2.441) 4.183 16.177 ( 1.377 4.832 9.494) 10.741 16.583 ( -3.949 -0.365 -16.134) 16.614 17.218 ( -1.136 2.592 3.670) 4.635 17.313 ( -2.094 7.661 -3.088) 8.521 ======================= Grid point 73 (35/60) ======================= q-point: ( 0.43 0.43 -0.75) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -4.237 0.000 0.342) 4.251 1.371 ( -0.518 0.000 -9.699) 9.713 1.499 ( 4.402 -0.000 -8.979) 10.000 1.519 ( 4.205 -0.000 5.214) 6.699 1.614 ( 2.584 -0.000 -9.319) 9.671 1.750 ( 6.331 -0.000 -0.988) 6.408 1.814 ( 1.276 -0.000 1.083) 1.674 1.857 ( -0.158 0.000 0.673) 0.691 1.998 ( 4.079 -0.000 0.575) 4.120 2.065 ( -0.047 0.000 4.644) 4.645 2.120 ( -1.479 0.000 -1.198) 1.904 2.206 ( 5.754 -0.000 -4.721) 7.443 2.235 ( -0.134 0.000 -0.772) 0.784 2.236 ( -7.405 0.000 3.731) 8.292 2.340 ( 2.683 -0.000 2.468) 3.645 2.469 ( 0.441 -0.000 0.886) 0.990 2.542 ( -0.944 0.000 4.032) 4.141 2.726 ( 6.103 -0.000 -5.604) 8.285 2.846 ( -2.536 0.000 1.696) 3.051 2.904 ( -0.406 0.000 -0.750) 0.853 2.943 ( -0.576 0.000 -0.755) 0.950 3.042 ( 4.481 -0.000 -7.950) 9.126 3.092 ( 0.903 -0.000 3.380) 3.498 3.169 ( 5.064 -0.000 -0.679) 5.109 3.180 ( 0.826 -0.000 10.104) 10.138 3.224 ( 0.390 -0.000 3.684) 3.704 3.382 ( 4.191 -0.000 -0.641) 4.239 3.522 ( 3.518 -0.000 -0.011) 3.518 3.582 ( 3.642 -0.000 -1.076) 3.798 3.621 ( 2.384 -0.000 8.019) 8.366 3.652 ( 0.074 -0.000 0.112) 0.135 3.755 ( 4.714 -0.000 -0.912) 4.802 3.901 ( -2.966 0.000 1.361) 3.263 3.989 ( -4.859 0.000 -0.490) 4.884 4.053 ( -4.550 0.000 1.450) 4.775 4.068 ( 5.331 -0.000 -0.326) 5.341 4.181 ( -0.159 0.000 0.171) 0.233 4.208 ( -0.564 0.000 -0.459) 0.727 4.246 ( 4.033 -0.000 -0.097) 4.034 4.281 ( -0.928 0.000 -4.046) 4.151 4.294 ( -1.604 0.000 -1.085) 1.937 4.344 ( 2.355 -0.000 -1.550) 2.819 4.397 ( -0.284 0.000 1.702) 1.725 4.405 ( -1.852 0.000 -1.939) 2.681 4.467 ( -2.131 0.000 -1.095) 2.396 4.488 ( 0.353 -0.000 -0.299) 0.463 4.508 ( -0.807 0.000 -1.511) 1.713 4.539 ( -3.624 0.000 1.725) 4.014 4.604 ( 1.371 -0.000 -0.380) 1.423 4.620 ( 4.025 -0.000 -0.154) 4.028 4.651 ( -1.995 0.000 -1.456) 2.470 4.709 ( -1.822 0.000 0.933) 2.047 4.734 ( -0.573 0.000 -0.207) 0.609 4.772 ( -0.332 0.000 2.147) 2.172 4.829 ( -0.584 0.000 1.985) 2.069 4.902 ( 0.447 -0.000 2.447) 2.488 4.964 ( -3.172 0.000 -2.093) 3.800 4.972 ( -4.157 0.000 4.217) 5.922 5.002 ( 0.028 -0.000 1.711) 1.712 5.015 ( 0.442 -0.000 -2.170) 2.215 5.115 ( -2.317 0.000 0.533) 2.378 5.142 ( -0.343 0.000 -1.738) 1.772 5.148 ( -1.652 0.000 -3.068) 3.485 5.177 ( 1.774 -0.000 0.017) 1.774 5.232 ( -3.724 0.000 1.086) 3.879 5.330 ( -0.691 0.000 -4.400) 4.454 5.334 ( -1.644 0.000 2.620) 3.093 5.446 ( 0.313 -0.000 -1.118) 1.161 5.478 ( -0.642 0.000 3.119) 3.185 5.715 ( 0.668 -0.000 -3.284) 3.351 6.038 ( 0.676 -0.000 1.088) 1.281 6.123 ( -0.860 0.000 0.186) 0.880 12.213 ( 0.651 -0.000 0.212) 0.684 12.302 ( -0.335 0.000 -0.873) 0.935 13.506 ( 1.271 -0.000 1.168) 1.726 13.770 ( -6.249 0.000 1.566) 6.442 14.498 ( -2.341 0.000 1.846) 2.981 14.637 ( 3.056 -0.000 -7.257) 7.874 14.815 ( 2.222 -0.000 4.672) 5.174 15.098 ( 0.800 -0.000 -2.259) 2.397 15.789 ( -3.602 0.000 3.987) 5.373 15.996 ( 3.317 -0.000 -4.636) 5.701 17.090 ( 0.526 -0.000 4.726) 4.755 17.393 ( 2.926 -0.000 -3.346) 4.445 ======================= Grid point 74 (36/60) ======================= q-point: (-0.43 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -2.301 -4.689 -0.728) 5.274 1.316 ( -5.007 -4.032 -10.010) 11.896 1.499 ( 0.970 -0.664 -7.350) 7.444 1.602 ( 4.018 -2.821 -3.325) 5.930 1.633 ( 4.343 0.280 2.961) 5.263 1.748 ( -5.123 4.153 2.797) 7.163 1.789 ( 4.190 2.783 -2.160) 5.474 1.852 ( -0.668 1.515 -0.976) 1.922 2.004 ( 3.955 4.132 -1.133) 5.831 2.059 ( -2.914 2.896 -0.417) 4.129 2.115 ( -2.189 -2.533 -0.453) 3.378 2.170 ( -0.806 1.680 1.161) 2.195 2.206 ( -1.657 -1.126 3.400) 3.946 2.295 ( 3.688 -2.023 -1.268) 4.393 2.394 ( 1.030 -0.757 1.439) 1.925 2.475 ( -2.793 -0.780 2.340) 3.727 2.553 ( -0.179 -1.303 3.544) 3.780 2.722 ( 1.738 2.564 -4.373) 5.359 2.858 ( -3.588 0.589 -2.636) 4.491 2.861 ( 1.935 -0.048 -1.351) 2.361 2.927 ( 3.058 1.920 -1.895) 4.078 2.998 ( -1.913 2.054 -5.705) 6.358 3.100 ( -3.082 -0.969 4.922) 5.888 3.185 ( -1.055 4.601 8.265) 9.518 3.242 ( 0.627 3.085 3.948) 5.050 3.248 ( 0.814 -3.990 0.357) 4.088 3.422 ( 1.876 1.175 -0.445) 2.257 3.563 ( 2.038 1.192 0.035) 2.361 3.589 ( 1.666 -0.258 0.924) 1.922 3.648 ( -1.529 0.499 -1.653) 2.306 3.727 ( 0.518 -4.277 4.657) 6.344 3.782 ( -0.132 -1.678 -0.947) 1.931 3.906 ( -0.541 -2.589 2.259) 3.478 3.965 ( -0.312 -1.601 0.955) 1.890 4.042 ( 0.350 -0.325 1.798) 1.860 4.139 ( 3.313 -0.332 -1.839) 3.804 4.170 ( -2.336 0.998 -0.210) 2.548 4.184 ( -0.074 0.254 0.836) 0.877 4.231 ( -2.038 -0.765 -1.583) 2.692 4.254 ( -2.933 -0.223 -2.254) 3.706 4.301 ( 2.569 -0.195 0.741) 2.681 4.349 ( 1.738 0.538 -1.181) 2.169 4.380 ( 2.598 2.038 -0.403) 3.327 4.400 ( 1.352 2.014 -2.001) 3.145 4.438 ( -0.780 1.558 -1.471) 2.281 4.445 ( -1.658 1.119 -0.712) 2.123 4.506 ( -1.523 0.817 0.384) 1.770 4.524 ( 1.223 -1.518 -0.610) 2.043 4.579 ( -0.184 2.821 -0.419) 2.858 4.605 ( -1.767 2.392 -2.276) 3.744 4.678 ( 2.106 0.298 2.557) 3.326 4.698 ( -0.352 0.201 1.351) 1.411 4.718 ( -0.767 0.407 1.919) 2.106 4.781 ( -0.125 1.472 4.621) 4.851 4.822 ( 0.199 0.704 -0.430) 0.849 4.886 ( -2.932 0.313 -0.243) 2.958 4.937 ( 0.538 -0.121 -1.875) 1.955 4.939 ( -0.263 3.600 -0.566) 3.654 4.983 ( -0.235 0.287 2.811) 2.836 5.030 ( -0.105 -0.733 -0.729) 1.039 5.085 ( -0.478 1.464 0.464) 1.609 5.104 ( -0.359 0.997 -0.730) 1.286 5.168 ( 0.545 -1.508 -2.087) 2.632 5.195 ( 1.302 0.435 3.124) 3.412 5.226 ( 0.965 -1.560 -3.172) 3.665 5.288 ( 0.633 1.259 -0.972) 1.712 5.359 ( -1.596 -3.305 0.447) 3.697 5.466 ( 0.850 -2.685 -1.714) 3.297 5.496 ( -0.609 -1.097 3.756) 3.960 5.696 ( -1.114 -0.607 -4.084) 4.276 6.078 ( 1.535 -2.016 2.094) 3.287 6.135 ( -0.589 -2.768 -0.333) 2.849 12.222 ( 0.613 0.048 0.681) 0.917 12.285 ( -0.962 0.238 -1.652) 1.927 13.542 ( 4.261 1.993 4.331) 6.395 13.704 ( -3.916 0.038 -1.569) 4.218 14.459 ( -2.392 2.124 0.890) 3.321 14.609 ( 2.416 3.436 -5.298) 6.761 14.828 ( 0.804 5.102 4.853) 7.087 15.030 ( -0.111 6.574 -3.465) 7.432 15.839 ( -0.588 -8.727 4.528) 9.849 16.107 ( -0.083 -13.617 -5.624) 14.733 17.136 ( -0.311 -2.247 5.800) 6.228 17.409 ( -0.139 -2.183 -4.374) 4.891 ======================= Grid point 75 (37/60) ======================= q-point: (-0.29 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -6.139 -4.905 -2.881) 8.369 1.297 ( -1.025 -2.093 -1.869) 2.988 1.421 ( -2.521 5.929 -3.304) 7.240 1.592 ( -7.888 -0.277 1.822) 8.100 1.638 ( 0.872 3.343 -3.601) 4.990 1.726 ( 3.206 5.418 1.374) 6.443 1.794 ( 2.655 1.387 -1.367) 3.292 1.808 ( 0.002 -1.185 -0.516) 1.292 1.951 ( -1.848 2.719 -1.047) 3.450 2.001 ( 5.357 1.665 -1.953) 5.940 2.101 ( -3.552 -2.306 -3.900) 5.757 2.178 ( 4.424 2.103 0.644) 4.940 2.233 ( -4.502 -2.413 6.256) 8.077 2.331 ( 0.701 -0.454 -0.369) 0.912 2.419 ( -6.456 -3.088 5.778) 9.198 2.463 ( 2.970 -1.160 -1.537) 3.539 2.614 ( 0.097 -2.125 3.582) 4.166 2.703 ( 2.243 0.574 -9.160) 9.448 2.736 ( -4.800 2.995 1.519) 5.858 2.860 ( 1.886 4.340 0.301) 4.742 2.913 ( -0.911 -0.109 -8.236) 8.287 2.956 ( 3.608 2.046 -1.534) 4.422 3.088 ( -5.945 1.393 5.723) 8.369 3.157 ( 0.611 1.791 5.357) 5.682 3.177 ( -0.471 6.430 3.938) 7.555 3.299 ( -2.626 -4.630 -0.939) 5.405 3.383 ( -2.553 1.736 -0.200) 3.094 3.493 ( -1.828 5.004 -2.996) 6.112 3.599 ( -3.227 -0.119 -0.632) 3.290 3.642 ( -0.307 0.646 2.417) 2.521 3.776 ( -2.128 -4.244 1.012) 4.854 3.816 ( 1.472 -1.382 -0.011) 2.019 3.958 ( -0.002 -0.651 0.865) 1.083 4.008 ( 1.059 -0.821 2.668) 2.986 4.071 ( 0.364 -0.544 -0.902) 1.114 4.088 ( 0.638 1.044 -1.753) 2.138 4.157 ( -1.497 -0.241 1.718) 2.291 4.177 ( -0.867 0.386 1.225) 1.550 4.195 ( -3.248 0.402 -1.528) 3.612 4.234 ( -2.806 -1.260 -0.317) 3.092 4.324 ( -1.685 3.060 -2.327) 4.197 4.356 ( 3.296 1.173 -1.738) 3.907 4.373 ( 1.029 -0.654 0.706) 1.409 4.391 ( 1.356 2.327 -0.589) 2.757 4.408 ( 3.588 1.128 -0.140) 3.764 4.446 ( 1.771 2.232 -0.634) 2.919 4.484 ( -0.705 0.210 0.315) 0.801 4.522 ( 0.285 3.263 -1.377) 3.553 4.539 ( -1.862 -1.649 0.689) 2.581 4.575 ( 1.932 0.384 -0.259) 1.986 4.657 ( -1.254 0.546 0.593) 1.491 4.717 ( -1.168 -0.531 2.087) 2.450 4.724 ( 1.532 0.629 0.449) 1.715 4.790 ( 0.641 0.775 1.995) 2.234 4.828 ( 1.346 -0.786 1.845) 2.415 4.859 ( -1.042 -0.928 -0.004) 1.395 4.907 ( 1.612 1.891 -1.459) 2.882 4.929 ( 1.836 1.178 0.065) 2.182 4.987 ( -0.277 1.394 2.591) 2.955 5.028 ( -0.277 -0.440 -0.973) 1.103 5.078 ( 3.378 2.198 -0.010) 4.030 5.110 ( 1.666 -0.325 1.307) 2.142 5.171 ( 0.337 -0.244 -2.551) 2.584 5.210 ( 0.181 0.149 -0.055) 0.241 5.267 ( 4.380 -1.153 -2.894) 5.375 5.297 ( 1.753 0.096 0.002) 1.755 5.388 ( -2.459 -3.600 1.515) 4.615 5.515 ( 0.452 -3.729 -1.943) 4.229 5.529 ( -1.090 -1.798 4.454) 4.926 5.663 ( -2.994 -1.021 -3.489) 4.710 6.146 ( 1.839 -2.634 2.091) 3.833 6.173 ( -0.122 -3.294 -0.952) 3.431 12.235 ( 0.475 -0.095 1.068) 1.172 12.259 ( -0.835 0.334 -1.736) 1.955 13.584 ( 2.825 2.666 4.517) 5.958 13.673 ( 0.216 -1.572 -3.122) 3.502 14.382 ( -3.442 4.012 -0.116) 5.287 14.563 ( 3.485 4.350 -3.399) 6.528 14.743 ( -2.691 6.518 3.740) 7.982 14.919 ( 1.084 7.228 -3.006) 7.903 16.028 ( -0.654 -12.666 5.855) 13.969 16.292 ( 0.784 -15.583 -6.608) 16.945 17.199 ( -1.136 -2.931 6.062) 6.828 17.394 ( -2.725 -1.293 -4.812) 5.679 ======================= Grid point 76 (38/60) ======================= q-point: (-0.14 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -5.964 -5.365 0.114) 8.023 1.172 ( -3.183 8.371 4.162) 9.876 1.375 ( -3.644 3.619 1.548) 5.364 1.459 ( -6.958 1.669 -2.384) 7.542 1.565 ( 2.174 4.175 -1.595) 4.970 1.686 ( 2.734 0.241 -4.645) 5.396 1.758 ( 2.038 4.548 -6.338) 8.063 1.851 ( 6.013 2.069 -0.789) 6.408 1.992 ( 5.632 -0.725 4.386) 7.175 2.034 ( -1.542 1.624 4.404) 4.941 2.115 ( 2.140 -6.094 -4.211) 7.710 2.160 ( 0.865 4.015 -0.987) 4.224 2.262 ( -2.092 -2.787 6.156) 7.074 2.343 ( -0.258 -1.076 -0.475) 1.204 2.402 ( -7.131 -2.877 4.199) 8.761 2.485 ( -3.909 5.537 -0.530) 6.798 2.552 ( 1.388 -0.607 -2.588) 2.999 2.731 ( 3.353 -3.245 -3.499) 5.833 2.734 ( 1.112 0.340 0.799) 1.410 2.800 ( -0.224 2.157 -3.723) 4.309 2.890 ( -0.680 3.024 0.389) 3.123 2.916 ( 0.889 3.695 -2.413) 4.502 3.010 ( -3.460 1.861 2.820) 4.836 3.105 ( 1.070 4.287 1.012) 4.533 3.192 ( 0.919 1.178 4.465) 4.709 3.300 ( -3.717 -2.329 -2.447) 5.023 3.363 ( 0.022 -1.775 -0.952) 2.014 3.399 ( 0.023 3.049 -1.867) 3.575 3.538 ( -4.669 2.320 2.238) 5.674 3.576 ( -4.962 2.650 -1.447) 5.808 3.824 ( 0.880 -1.151 0.434) 1.513 3.849 ( 2.362 -0.472 -0.993) 2.606 3.923 ( -0.559 2.839 0.862) 3.019 4.014 ( 0.903 2.458 -0.838) 2.750 4.050 ( 0.439 -1.519 0.943) 1.841 4.114 ( -3.328 1.939 -0.461) 3.879 4.145 ( -1.909 -2.139 -0.751) 2.963 4.156 ( 0.477 1.031 -0.460) 1.226 4.195 ( 0.427 -1.193 2.051) 2.411 4.221 ( -1.182 -0.827 1.408) 2.016 4.242 ( -1.174 2.553 -0.462) 2.848 4.348 ( -0.875 0.464 -0.435) 1.081 4.362 ( 0.949 2.264 0.543) 2.515 4.387 ( 2.147 2.228 -2.077) 3.727 4.404 ( -3.188 -0.886 -0.310) 3.323 4.419 ( 1.399 2.884 -1.117) 3.395 4.484 ( 1.428 1.322 -1.067) 2.219 4.503 ( 0.727 -0.444 1.781) 1.975 4.568 ( 0.420 -1.768 1.368) 2.274 4.607 ( 0.831 -3.119 -0.986) 3.375 4.668 ( 0.606 0.267 -0.377) 0.762 4.694 ( -1.627 -1.022 0.341) 1.951 4.764 ( 1.934 -0.832 0.472) 2.158 4.789 ( -1.467 -1.620 -0.764) 2.314 4.850 ( -0.533 1.323 1.421) 2.013 4.893 ( 0.808 -2.738 0.281) 2.869 4.908 ( 1.961 0.704 1.234) 2.422 4.961 ( 0.535 -0.982 1.654) 1.997 4.984 ( 1.909 0.512 2.761) 3.396 5.037 ( 0.989 -0.664 0.189) 1.206 5.099 ( 3.601 1.223 -0.772) 3.881 5.146 ( 2.490 0.255 0.199) 2.511 5.179 ( 0.724 -2.613 -2.763) 3.872 5.208 ( -0.196 0.133 0.512) 0.564 5.296 ( 2.015 0.429 -2.743) 3.430 5.320 ( 1.128 -0.449 -1.843) 2.207 5.424 ( -0.156 -2.352 2.773) 3.640 5.550 ( -1.637 -2.350 1.259) 3.129 5.561 ( -1.051 -2.005 1.636) 2.793 5.615 ( -4.010 -0.653 -2.047) 4.549 6.205 ( 0.212 -1.426 -0.857) 1.677 6.210 ( 1.395 -1.575 1.421) 2.539 12.226 ( -0.806 0.481 -1.271) 1.579 12.263 ( 1.167 -0.278 1.239) 1.725 13.579 ( -2.741 -1.553 -2.275) 3.886 13.717 ( 3.262 -1.165 1.806) 3.906 14.275 ( -2.856 3.560 -0.594) 4.602 14.544 ( 3.053 2.514 -1.270) 4.154 14.675 ( -0.375 0.852 1.366) 1.653 14.811 ( -0.419 6.178 -1.873) 6.469 16.177 ( -3.536 -7.219 0.295) 8.044 16.484 ( 5.006 -7.368 -0.076) 8.909 17.224 ( -3.118 0.128 1.770) 3.588 17.346 ( -1.274 0.601 -0.711) 1.578 ======================= Grid point 81 (39/60) ======================= q-point: (-0.43 -0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -2.701 0.000 0.547) 2.756 1.124 ( -8.471 0.000 -15.166) 17.371 1.469 ( 1.336 -0.000 -8.671) 8.774 1.557 ( 2.750 -0.000 -6.380) 6.947 1.695 ( -9.908 0.000 2.329) 10.178 1.758 ( 6.269 -0.000 7.021) 9.413 1.846 ( -0.342 0.000 3.989) 4.003 1.874 ( 1.387 -0.000 -0.555) 1.494 2.024 ( -6.347 0.000 -0.042) 6.347 2.043 ( -1.830 0.000 -5.534) 5.829 2.107 ( 0.155 -0.000 4.043) 4.046 2.119 ( 0.450 -0.000 1.206) 1.287 2.228 ( 2.960 -0.000 1.168) 3.182 2.310 ( 0.454 -0.000 -1.278) 1.356 2.382 ( -9.063 0.000 6.163) 10.960 2.419 ( -2.627 0.000 -2.408) 3.564 2.598 ( 3.521 -0.000 5.931) 6.897 2.715 ( -0.363 0.000 -9.929) 9.936 2.799 ( -9.428 0.000 -0.511) 9.442 2.841 ( 3.285 -0.000 -3.224) 4.603 2.975 ( -1.149 0.000 -4.053) 4.213 2.989 ( 4.560 -0.000 -2.085) 5.014 3.046 ( -4.558 0.000 4.138) 6.156 3.174 ( -4.119 0.000 -0.270) 4.128 3.281 ( 0.555 -0.000 7.411) 7.432 3.317 ( 1.558 -0.000 5.204) 5.432 3.422 ( -3.982 0.000 0.096) 3.983 3.563 ( -6.210 0.000 -2.095) 6.554 3.578 ( -3.187 0.000 -0.621) 3.247 3.600 ( 3.545 -0.000 -0.977) 3.677 3.728 ( -4.738 0.000 4.647) 6.636 3.760 ( 0.806 -0.000 5.917) 5.971 3.925 ( 4.522 -0.000 1.654) 4.815 3.962 ( 0.528 -0.000 0.699) 0.876 4.069 ( 1.840 -0.000 -0.199) 1.851 4.134 ( -0.900 0.000 0.775) 1.188 4.168 ( 0.255 -0.000 -0.164) 0.303 4.177 ( -2.671 0.000 -2.734) 3.822 4.200 ( 0.072 -0.000 0.892) 0.895 4.204 ( -2.477 0.000 -1.434) 2.862 4.349 ( 4.813 -0.000 0.708) 4.865 4.364 ( 1.631 -0.000 -1.747) 2.390 4.402 ( -1.915 0.000 -0.565) 1.997 4.415 ( -3.563 0.000 -3.012) 4.665 4.436 ( 1.689 -0.000 -2.290) 2.846 4.463 ( -1.730 0.000 -0.243) 1.747 4.469 ( 6.212 -0.000 -0.652) 6.246 4.543 ( -2.620 0.000 -1.116) 2.848 4.571 ( 2.042 -0.000 -2.507) 3.234 4.637 ( 1.539 -0.000 -0.246) 1.559 4.697 ( -2.606 0.000 1.580) 3.047 4.698 ( -0.022 0.000 1.878) 1.878 4.746 ( 2.658 -0.000 3.745) 4.592 4.808 ( -1.602 0.000 -2.552) 3.014 4.834 ( 1.970 -0.000 4.530) 4.940 4.842 ( -3.269 0.000 -0.222) 3.277 4.946 ( 1.974 -0.000 -2.052) 2.847 4.972 ( 0.969 -0.000 2.729) 2.896 4.996 ( 0.092 -0.000 1.571) 1.574 5.024 ( 1.681 -0.000 -1.560) 2.293 5.098 ( 0.707 -0.000 -0.427) 0.826 5.108 ( 0.515 -0.000 -0.723) 0.888 5.174 ( 2.869 -0.000 -1.870) 3.425 5.232 ( 1.380 -0.000 3.049) 3.347 5.234 ( 4.238 -0.000 -2.984) 5.183 5.303 ( 0.870 -0.000 -1.576) 1.800 5.324 ( -0.381 0.000 2.514) 2.542 5.446 ( 1.077 -0.000 -2.146) 2.401 5.499 ( -0.636 0.000 3.792) 3.845 5.650 ( -1.819 0.000 -4.227) 4.602 6.097 ( 1.965 -0.000 1.892) 2.727 6.103 ( -0.568 0.000 -0.884) 1.051 12.235 ( 0.586 -0.000 1.268) 1.397 12.264 ( -1.192 0.000 -1.907) 2.249 13.649 ( -2.730 0.000 -3.379) 4.344 13.662 ( 7.357 -0.000 6.226) 9.638 14.443 ( -2.909 0.000 0.229) 2.918 14.633 ( 1.760 -0.000 -4.124) 4.484 14.920 ( 1.552 -0.000 5.390) 5.609 15.042 ( -2.281 0.000 -4.589) 5.124 15.769 ( -1.398 0.000 3.614) 3.875 15.986 ( 0.294 -0.000 -4.235) 4.245 17.137 ( -1.674 0.000 6.194) 6.416 17.351 ( -2.550 0.000 -4.871) 5.498 ======================= Grid point 82 (40/60) ======================= q-point: (-0.29 -0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -11.125 -4.065 -9.899) 15.436 1.133 ( -5.751 -12.083 -1.305) 13.445 1.440 ( 0.123 0.898 -5.020) 5.101 1.514 ( -9.090 7.415 3.606) 12.272 1.623 ( 1.718 -5.695 -4.913) 7.715 1.764 ( -6.330 3.292 -2.147) 7.450 1.852 ( 0.683 1.686 -0.733) 1.961 1.869 ( 1.520 0.567 2.193) 2.728 1.969 ( -1.038 1.251 5.328) 5.570 2.015 ( 2.454 0.154 -3.706) 4.447 2.080 ( 2.453 3.016 1.157) 4.056 2.192 ( -2.303 -1.656 3.131) 4.225 2.241 ( -0.316 -0.165 0.713) 0.797 2.276 ( -6.936 -0.383 2.233) 7.296 2.315 ( -7.143 -2.777 4.229) 8.753 2.405 ( -2.591 -5.802 -1.690) 6.575 2.605 ( -7.771 1.286 -6.696) 10.338 2.677 ( 2.629 -0.713 4.522) 5.279 2.704 ( -0.641 -0.762 -2.972) 3.134 2.856 ( 0.626 -0.459 -7.617) 7.656 2.929 ( -0.970 1.850 0.801) 2.237 2.993 ( -2.050 0.752 0.984) 2.395 3.057 ( 1.015 0.910 1.080) 1.739 3.145 ( -2.071 -1.903 0.349) 2.834 3.284 ( 0.278 4.180 3.185) 5.262 3.304 ( -1.118 3.178 2.274) 4.065 3.345 ( -5.790 0.027 0.949) 5.867 3.452 ( -6.274 -0.187 -3.152) 7.024 3.570 ( 0.493 -0.690 -0.521) 0.995 3.680 ( -2.058 3.127 4.509) 5.861 3.696 ( 1.546 -4.797 1.654) 5.305 3.805 ( -1.093 -2.230 4.480) 5.122 3.965 ( -0.256 0.248 0.550) 0.655 4.006 ( 2.764 -1.679 2.326) 3.984 4.065 ( 0.653 1.303 -2.654) 3.028 4.105 ( -1.399 1.909 -0.919) 2.540 4.154 ( -2.511 -0.398 -0.487) 2.589 4.170 ( -0.896 -0.748 0.623) 1.323 4.181 ( 1.603 0.275 1.083) 1.954 4.203 ( -0.094 -0.033 0.199) 0.223 4.332 ( -1.972 2.376 -3.589) 4.734 4.358 ( -1.985 0.024 -1.675) 2.598 4.368 ( -2.112 0.280 0.338) 2.157 4.415 ( 1.782 0.025 -2.715) 3.247 4.438 ( 1.087 0.963 -0.444) 1.518 4.469 ( 0.991 -1.469 1.303) 2.200 4.495 ( -1.948 0.092 -1.353) 2.374 4.516 ( 2.756 0.900 -0.523) 2.946 4.561 ( -0.783 1.666 -2.415) 3.037 4.619 ( 0.814 2.616 0.889) 2.880 4.669 ( -0.303 2.009 0.231) 2.044 4.722 ( 0.814 -0.758 0.382) 1.176 4.749 ( -1.969 2.134 0.255) 2.915 4.801 ( 1.857 -0.002 -0.551) 1.937 4.828 ( 0.331 -1.407 0.654) 1.587 4.882 ( 2.442 0.376 4.501) 5.135 4.946 ( 2.426 2.221 -1.364) 3.561 4.977 ( 2.214 1.568 -0.273) 2.727 5.014 ( -0.077 1.225 0.902) 1.524 5.049 ( 2.940 -0.167 2.433) 3.820 5.123 ( 0.576 -0.604 -0.665) 1.068 5.133 ( 2.553 -1.720 0.784) 3.177 5.188 ( 2.645 1.677 -1.704) 3.565 5.240 ( 2.209 1.865 0.616) 2.956 5.283 ( 2.621 -0.708 -2.824) 3.917 5.313 ( 1.276 -0.184 -1.056) 1.667 5.365 ( 3.201 -1.248 3.370) 4.812 5.465 ( 1.203 -2.171 -3.025) 3.914 5.523 ( -0.005 -0.845 4.210) 4.294 5.606 ( -1.952 0.229 -2.802) 3.423 6.113 ( -0.667 -3.308 -1.567) 3.721 6.143 ( 1.588 -1.965 1.381) 2.879 12.235 ( -0.904 0.410 -1.106) 1.486 12.255 ( 0.685 -0.301 1.159) 1.380 13.593 ( -1.721 0.921 -5.150) 5.507 13.777 ( 8.390 3.136 6.618) 11.137 14.385 ( -3.373 2.689 -0.683) 4.367 14.624 ( 2.192 1.655 -2.920) 4.009 14.840 ( -3.301 9.787 2.471) 10.620 14.999 ( 0.231 3.190 -2.280) 3.928 15.836 ( -2.879 -9.696 1.641) 10.246 16.094 ( 3.125 -14.523 -0.271) 14.858 17.161 ( -2.770 -2.613 5.501) 6.690 17.299 ( -4.074 -2.215 -4.435) 6.417 ======================= Grid point 83 (41/60) ======================= q-point: (-0.14 -0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -10.742 -11.179 -1.277) 15.556 1.179 ( -14.538 -9.318 -0.891) 17.291 1.312 ( -4.826 8.315 3.438) 10.211 1.416 ( 0.630 0.191 0.537) 0.849 1.609 ( 0.245 1.786 -4.202) 4.573 1.713 ( -1.286 -3.135 -5.960) 6.856 1.820 ( 1.535 3.448 -1.801) 4.182 1.900 ( 0.918 -2.055 1.494) 2.702 1.959 ( -3.305 -2.691 -1.059) 4.392 2.045 ( 3.466 -1.214 -5.119) 6.301 2.084 ( -2.174 -1.365 4.490) 5.172 2.181 ( -11.563 -3.728 3.983) 12.785 2.207 ( 1.933 1.519 0.910) 2.622 2.275 ( -3.958 -3.407 3.023) 6.034 2.294 ( -3.571 -2.124 6.477) 7.695 2.455 ( -3.127 -1.725 -1.890) 4.040 2.507 ( 1.565 -3.540 -5.729) 6.914 2.724 ( 1.567 -1.863 -2.144) 3.244 2.758 ( 4.517 -1.311 2.256) 5.216 2.810 ( -0.211 1.993 -2.962) 3.577 2.897 ( -4.835 -0.885 -0.368) 4.929 2.948 ( -0.126 2.838 1.280) 3.116 3.026 ( -1.575 3.315 1.538) 3.979 3.121 ( -3.528 0.431 0.454) 3.583 3.252 ( -1.345 0.649 -1.822) 2.356 3.263 ( -0.925 2.051 0.211) 2.260 3.333 ( 1.842 -2.358 0.713) 3.076 3.405 ( -0.124 -0.517 -1.347) 1.448 3.559 ( -0.019 3.135 0.070) 3.136 3.598 ( -1.557 6.569 1.371) 6.889 3.792 ( 1.073 -4.660 0.591) 4.819 3.844 ( -0.160 -2.052 1.283) 2.425 3.945 ( -1.617 1.420 1.722) 2.756 4.030 ( 0.790 1.461 -2.815) 3.268 4.046 ( -1.210 -0.666 2.607) 2.950 4.100 ( 0.604 -1.377 -0.685) 1.652 4.111 ( -0.390 2.284 -0.850) 2.468 4.162 ( -2.038 -0.231 0.910) 2.244 4.184 ( -1.451 -1.481 0.634) 2.168 4.242 ( 1.829 -0.321 2.748) 3.317 4.263 ( 0.095 3.321 -2.255) 4.015 4.320 ( -2.135 -1.350 -3.118) 4.012 4.349 ( -1.773 -0.407 1.884) 2.619 4.373 ( -2.450 2.392 -1.813) 3.875 4.421 ( 0.484 1.601 -1.269) 2.099 4.481 ( 0.287 0.585 -0.440) 0.786 4.503 ( -1.112 -2.093 -0.943) 2.551 4.519 ( -0.708 1.172 1.461) 2.003 4.550 ( 1.473 -1.035 -1.271) 2.204 4.571 ( 0.365 2.624 0.908) 2.801 4.669 ( 1.996 0.265 -1.469) 2.493 4.696 ( -1.851 1.622 0.524) 2.516 4.732 ( -1.795 -1.252 -0.833) 2.342 4.799 ( 1.832 1.163 -1.458) 2.614 4.884 ( 1.955 -1.059 2.272) 3.179 4.902 ( 0.635 3.733 2.235) 4.397 4.948 ( 2.120 0.890 0.112) 2.302 4.968 ( -0.455 0.449 -0.829) 1.047 5.012 ( 1.208 0.923 3.122) 3.472 5.093 ( 1.819 1.477 1.721) 2.908 5.124 ( -0.540 -1.057 -2.434) 2.708 5.176 ( 1.593 -0.043 0.754) 1.763 5.186 ( 3.061 2.386 -0.231) 3.888 5.253 ( 2.333 1.436 1.130) 2.963 5.282 ( -0.670 0.025 -1.902) 2.017 5.328 ( 3.100 0.711 -2.598) 4.106 5.443 ( 3.363 -0.306 0.975) 3.515 5.503 ( 1.244 -2.683 -1.364) 3.257 5.539 ( -0.657 0.291 -0.024) 0.719 5.589 ( 0.449 -0.168 3.055) 3.093 6.156 ( -0.413 -4.214 -1.488) 4.488 6.201 ( 0.890 -2.653 1.053) 2.990 12.216 ( -0.420 0.189 -1.109) 1.201 12.278 ( 0.860 -0.394 1.685) 1.932 13.522 ( -2.130 1.480 -6.044) 6.577 13.839 ( 6.390 5.634 5.401) 10.086 14.283 ( -3.292 3.753 -0.894) 5.072 14.605 ( 1.153 3.417 -1.850) 4.053 14.706 ( -1.301 3.651 1.637) 4.207 14.886 ( -2.438 7.803 -2.061) 8.431 15.963 ( -3.494 -12.693 -2.728) 13.445 16.437 ( 9.865 -16.493 5.932) 20.113 17.172 ( -3.746 -1.658 0.378) 4.114 17.289 ( -2.717 -4.607 0.353) 5.360 ======================= Grid point 89 (42/60) ======================= q-point: (-0.29 -0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -13.187 0.000 -6.736) 14.807 0.902 ( -13.871 0.000 1.392) 13.940 1.439 ( -0.818 0.000 -4.067) 4.149 1.489 ( -5.973 0.000 3.880) 7.123 1.543 ( -3.736 0.000 -3.217) 4.930 1.690 ( -6.749 0.000 -3.251) 7.491 1.809 ( -2.317 0.000 -4.658) 5.203 1.843 ( -6.593 0.000 1.978) 6.884 1.992 ( 0.663 -0.000 -3.587) 3.648 2.016 ( -18.827 0.000 2.739) 19.026 2.134 ( -1.059 0.000 -0.356) 1.117 2.146 ( 3.191 -0.000 8.624) 9.196 2.171 ( -7.588 0.000 5.123) 9.156 2.207 ( 3.321 -0.000 2.267) 4.021 2.295 ( -2.092 0.000 0.556) 2.165 2.345 ( 3.241 -0.000 1.398) 3.530 2.490 ( -2.785 0.000 -9.958) 10.340 2.694 ( 3.113 -0.000 -4.698) 5.636 2.726 ( 0.616 -0.000 6.711) 6.739 2.832 ( 0.850 -0.000 -5.279) 5.347 2.882 ( -6.274 0.000 0.729) 6.316 2.981 ( -1.374 0.000 0.936) 1.663 3.101 ( 2.040 -0.000 -0.893) 2.227 3.117 ( -3.459 0.000 -0.065) 3.459 3.253 ( -6.802 0.000 1.823) 7.042 3.289 ( -6.498 0.000 -0.745) 6.541 3.290 ( -0.917 0.000 -0.442) 1.018 3.414 ( 2.487 -0.000 -0.965) 2.667 3.592 ( 3.541 -0.000 -1.597) 3.885 3.670 ( -2.416 0.000 4.253) 4.892 3.738 ( 2.733 -0.000 2.522) 3.719 3.791 ( -1.218 0.000 2.519) 2.798 3.968 ( -1.237 0.000 2.221) 2.542 4.033 ( -0.552 0.000 0.845) 1.009 4.069 ( 0.733 -0.000 -1.357) 1.543 4.095 ( -2.425 0.000 -0.637) 2.507 4.121 ( 0.939 -0.000 -0.314) 0.990 4.148 ( -2.169 0.000 0.691) 2.277 4.189 ( -0.759 0.000 -1.359) 1.557 4.224 ( 0.496 -0.000 1.798) 1.865 4.291 ( -0.760 0.000 -2.902) 3.000 4.303 ( -2.858 0.000 -3.232) 4.314 4.380 ( 1.009 -0.000 -3.270) 3.422 4.421 ( -3.412 0.000 2.755) 4.386 4.445 ( 0.646 -0.000 2.292) 2.382 4.454 ( -3.312 0.000 -2.144) 3.945 4.467 ( -0.061 0.000 1.225) 1.227 4.542 ( 0.885 -0.000 -2.701) 2.842 4.560 ( 2.767 -0.000 -1.474) 3.136 4.635 ( -3.006 0.000 2.314) 3.794 4.708 ( 2.181 -0.000 -0.732) 2.301 4.713 ( 0.572 -0.000 -1.532) 1.636 4.724 ( -3.327 0.000 0.177) 3.331 4.824 ( 1.620 -0.000 -1.896) 2.494 4.850 ( 2.993 -0.000 1.796) 3.490 4.935 ( 2.755 -0.000 3.093) 4.142 4.992 ( 2.391 -0.000 0.131) 2.394 5.014 ( 1.051 -0.000 -0.139) 1.060 5.061 ( 0.113 -0.000 1.909) 1.913 5.076 ( 3.602 -0.000 1.429) 3.875 5.124 ( -0.254 0.000 1.579) 1.600 5.138 ( 0.833 -0.000 0.751) 1.122 5.211 ( 1.003 -0.000 -1.923) 2.169 5.282 ( 3.208 -0.000 1.005) 3.361 5.320 ( 3.421 -0.000 -3.274) 4.735 5.360 ( 5.840 -0.000 -0.459) 5.858 5.415 ( 4.717 -0.000 1.908) 5.089 5.455 ( 2.216 -0.000 -3.201) 3.893 5.557 ( 2.196 -0.000 4.444) 4.957 5.588 ( 0.217 -0.000 -2.060) 2.072 6.054 ( -2.506 0.000 -2.280) 3.388 6.149 ( 0.946 -0.000 0.636) 1.140 12.222 ( -0.473 0.000 -1.368) 1.447 12.272 ( 0.883 -0.000 1.934) 2.126 13.555 ( -1.010 0.000 -5.778) 5.865 13.958 ( 8.724 -0.000 8.238) 11.999 14.365 ( -1.878 0.000 -2.160) 2.863 14.643 ( 1.516 -0.000 -2.014) 2.521 14.905 ( -4.197 0.000 -4.884) 6.440 14.994 ( 0.035 -0.000 4.643) 4.643 15.769 ( -1.470 0.000 2.274) 2.708 15.975 ( 1.224 -0.000 1.237) 1.740 17.128 ( -3.725 0.000 4.986) 6.224 17.197 ( -5.037 0.000 -4.226) 6.575 ======================= Grid point 90 (43/60) ======================= q-point: (-0.14 -0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -11.453 -8.701 9.026) 16.981 0.819 ( -16.079 -12.282 1.792) 20.313 1.315 ( -8.532 2.330 -1.962) 9.059 1.414 ( -8.106 1.381 2.049) 8.475 1.543 ( -3.910 -7.367 -3.307) 8.972 1.575 ( -13.587 -2.081 1.869) 13.872 1.679 ( -13.921 -4.519 -2.464) 14.842 1.790 ( -0.581 -2.726 -5.079) 5.794 1.945 ( -1.233 -2.706 3.425) 4.536 1.979 ( -0.498 -0.938 -1.220) 1.617 2.083 ( -4.997 2.404 3.374) 6.491 2.084 ( -1.125 2.025 -1.251) 2.632 2.219 ( -0.508 -2.867 -0.220) 2.920 2.266 ( -0.993 0.700 -1.347) 1.814 2.322 ( 5.901 0.818 7.158) 9.312 2.429 ( 5.275 -3.923 0.833) 6.626 2.449 ( 1.131 -0.839 -4.185) 4.416 2.723 ( 3.170 -0.496 -2.504) 4.070 2.766 ( -0.125 -2.338 -0.343) 2.366 2.809 ( -1.914 0.286 -0.944) 2.154 2.846 ( -0.266 -0.620 2.696) 2.779 2.969 ( 0.316 1.215 -1.104) 1.672 3.029 ( -6.817 1.521 2.610) 7.456 3.091 ( -1.178 0.662 -1.805) 2.255 3.188 ( -4.062 -2.321 -3.186) 5.660 3.204 ( -5.799 0.071 -1.673) 6.036 3.355 ( 5.594 -2.544 0.766) 6.193 3.437 ( 3.341 1.335 -0.486) 3.631 3.603 ( 0.956 1.967 -2.667) 3.449 3.659 ( -1.015 1.360 0.373) 1.738 3.760 ( 0.310 -1.074 -0.614) 1.275 3.806 ( -0.858 -2.553 0.571) 2.753 3.946 ( -3.765 0.945 3.081) 4.956 4.017 ( -3.335 -1.933 1.162) 4.026 4.055 ( -0.023 1.410 -1.312) 1.926 4.073 ( -0.501 -0.581 -0.270) 0.814 4.122 ( -2.320 1.391 -0.714) 2.798 4.148 ( 1.417 0.028 -0.417) 1.478 4.165 ( 0.930 -0.294 1.249) 1.584 4.239 ( -0.740 -2.331 -0.163) 2.451 4.263 ( -1.100 -0.187 -1.182) 1.625 4.299 ( 0.593 0.611 -0.901) 1.240 4.353 ( -4.705 -0.062 0.970) 4.805 4.363 ( 0.824 1.524 -1.404) 2.230 4.412 ( -1.067 0.594 -0.304) 1.258 4.444 ( -1.183 1.897 0.093) 2.237 4.499 ( 1.253 -1.512 2.649) 3.297 4.546 ( 1.413 -0.080 -1.694) 2.207 4.564 ( -1.455 3.457 0.598) 3.798 4.615 ( 1.090 -0.275 1.852) 2.166 4.665 ( -4.095 0.514 0.089) 4.128 4.701 ( -1.259 0.363 -1.195) 1.774 4.720 ( 1.903 1.968 -0.735) 2.834 4.828 ( 1.961 0.953 -2.138) 3.054 4.907 ( 2.575 -1.516 0.800) 3.093 4.974 ( 1.396 0.969 0.355) 1.736 4.988 ( -0.238 3.584 2.568) 4.415 5.012 ( 2.284 4.229 1.080) 4.927 5.055 ( -0.572 -0.002 2.131) 2.206 5.089 ( -0.976 1.521 -1.128) 2.130 5.108 ( -2.729 1.129 2.292) 3.738 5.175 ( 1.119 -2.615 -0.693) 2.928 5.218 ( 0.834 0.057 -1.442) 1.667 5.306 ( 3.765 3.705 0.974) 5.372 5.332 ( 2.583 1.212 -4.414) 5.256 5.397 ( 4.172 3.217 1.837) 5.580 5.473 ( 2.375 -0.829 -3.564) 4.363 5.507 ( 4.353 0.685 1.045) 4.529 5.577 ( 3.816 0.482 0.644) 3.899 5.629 ( 2.965 -0.585 3.729) 4.800 6.055 ( -2.281 -6.310 -1.829) 6.954 6.175 ( 0.322 -2.102 0.235) 2.140 12.212 ( 0.234 0.257 -0.893) 0.958 12.292 ( 0.618 -0.108 1.340) 1.480 13.503 ( -0.852 1.895 -4.255) 4.735 14.042 ( 3.879 5.914 8.094) 10.748 14.309 ( 0.639 4.761 -2.902) 5.612 14.648 ( 1.619 1.359 -2.264) 3.097 14.758 ( -3.393 6.481 0.455) 7.330 14.947 ( -4.081 8.011 -0.638) 9.013 15.765 ( -2.107 -6.451 -0.667) 6.819 16.291 ( 10.984 -26.451 4.526) 28.996 17.102 ( -3.790 -1.134 -0.038) 3.956 17.168 ( -3.935 -5.867 0.703) 7.099 ======================= Grid point 97 (44/60) ======================= q-point: (-0.14 -0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -7.656 0.000 27.714) 28.753 0.517 ( -17.259 0.000 7.434) 18.792 1.114 ( -35.876 0.000 9.925) 37.224 1.183 ( -10.121 0.000 -5.226) 11.391 1.320 ( -9.296 0.000 -6.084) 11.109 1.457 ( -7.296 0.000 3.443) 8.068 1.585 ( -2.734 0.000 -5.244) 5.914 1.747 ( 1.288 -0.000 -2.158) 2.513 1.936 ( 0.935 -0.000 2.809) 2.961 1.967 ( -0.000 0.000 0.042) 0.042 2.069 ( 0.075 -0.000 2.337) 2.338 2.075 ( -5.548 0.000 -1.091) 5.654 2.208 ( 2.917 -0.000 0.612) 2.981 2.233 ( -0.752 0.000 -6.994) 7.034 2.400 ( 0.316 -0.000 1.992) 2.017 2.481 ( 6.427 -0.000 7.413) 9.811 2.511 ( 7.862 -0.000 -0.369) 7.871 2.732 ( 0.175 -0.000 -4.787) 4.790 2.761 ( 4.221 -0.000 -1.832) 4.601 2.777 ( -1.065 0.000 -2.412) 2.637 2.855 ( -2.089 0.000 1.891) 2.818 2.975 ( -4.138 0.000 5.971) 7.264 2.976 ( 1.170 -0.000 -6.678) 6.779 3.065 ( -3.137 0.000 -1.791) 3.612 3.087 ( -3.359 0.000 -3.135) 4.595 3.163 ( -0.994 0.000 1.149) 1.519 3.409 ( 5.993 -0.000 -0.423) 6.008 3.482 ( 2.592 -0.000 -0.723) 2.691 3.613 ( -2.656 0.000 -3.969) 4.776 3.618 ( 0.887 -0.000 -4.594) 4.679 3.734 ( -3.723 0.000 -2.478) 4.472 3.758 ( -2.569 0.000 -0.192) 2.576 3.896 ( -7.561 0.000 3.342) 8.266 3.958 ( -3.199 0.000 1.125) 3.390 4.039 ( -1.846 0.000 3.103) 3.611 4.060 ( 0.170 -0.000 -10.006) 10.007 4.140 ( 0.285 -0.000 -0.638) 0.699 4.151 ( -0.281 0.000 0.673) 0.730 4.183 ( -2.569 0.000 0.044) 2.569 4.205 ( 2.720 -0.000 3.052) 4.088 4.255 ( -1.169 0.000 2.999) 3.219 4.280 ( 0.325 -0.000 -1.593) 1.625 4.331 ( 1.160 -0.000 -0.239) 1.185 4.372 ( -1.540 0.000 2.321) 2.785 4.442 ( -0.623 0.000 3.759) 3.811 4.446 ( 0.592 -0.000 -1.903) 1.992 4.525 ( 1.921 -0.000 1.758) 2.603 4.545 ( -0.007 0.000 -1.333) 1.333 4.575 ( -2.398 0.000 1.306) 2.731 4.603 ( -3.084 0.000 0.237) 3.093 4.645 ( 1.361 -0.000 1.079) 1.737 4.684 ( -0.676 0.000 -0.677) 0.956 4.753 ( 1.013 -0.000 -0.001) 1.013 4.853 ( 2.438 -0.000 -2.686) 3.628 4.924 ( 2.371 -0.000 -0.495) 2.422 4.990 ( -3.059 0.000 -1.080) 3.244 5.009 ( -1.413 0.000 2.228) 2.638 5.055 ( 0.820 -0.000 2.614) 2.740 5.073 ( -4.381 0.000 2.908) 5.258 5.075 ( 1.965 -0.000 2.014) 2.814 5.151 ( 1.939 -0.000 0.292) 1.961 5.152 ( -0.364 0.000 -4.011) 4.028 5.238 ( 2.813 -0.000 -1.616) 3.244 5.311 ( -0.393 0.000 -6.072) 6.085 5.412 ( 4.782 -0.000 1.640) 5.056 5.465 ( 3.494 -0.000 -2.532) 4.315 5.551 ( 2.102 -0.000 1.451) 2.554 5.590 ( 8.821 -0.000 5.034) 10.156 5.610 ( 3.141 -0.000 -0.910) 3.270 5.675 ( 2.839 -0.000 3.967) 4.878 5.936 ( -4.581 0.000 0.667) 4.629 6.160 ( 0.020 -0.000 -0.532) 0.533 12.219 ( 0.917 -0.000 -0.293) 0.963 12.301 ( 0.132 -0.000 0.129) 0.185 13.510 ( 1.385 -0.000 2.054) 2.477 14.114 ( -5.005 0.000 6.980) 8.589 14.418 ( 9.957 -0.000 -3.218) 10.464 14.659 ( 1.038 -0.000 -1.377) 1.725 14.758 ( -3.560 0.000 -3.002) 4.657 15.022 ( -0.389 0.000 0.895) 0.976 15.743 ( -1.437 0.000 0.633) 1.570 16.098 ( 5.001 -0.000 1.708) 5.284 17.050 ( -3.272 0.000 -2.145) 3.912 17.068 ( -3.746 0.000 2.412) 4.456 ======================= Grid point 98 (45/60) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 8.450 -0.000 -6.522) 10.674 0.744 ( -8.450 0.000 6.522) 10.674 0.826 ( -2.185 0.000 -7.750) 8.052 0.826 ( 2.185 -0.000 7.750) 8.052 1.401 ( 5.118 -0.000 -5.456) 7.481 1.401 ( -5.118 0.000 5.456) 7.481 1.758 ( -1.461 0.000 -26.300) 26.340 1.758 ( 1.461 -0.000 26.300) 26.340 1.866 ( -5.943 0.000 -3.031) 6.671 1.866 ( 5.943 -0.000 3.031) 6.671 1.994 ( -0.116 0.000 -6.433) 6.434 1.994 ( 0.116 -0.000 6.433) 6.434 2.219 ( -4.153 0.000 -1.988) 4.604 2.219 ( 4.153 -0.000 1.988) 4.604 2.494 ( -1.910 0.000 -10.313) 10.488 2.494 ( 1.910 -0.000 10.313) 10.488 2.609 ( 0.553 -0.000 -3.167) 3.215 2.609 ( -0.553 0.000 3.167) 3.215 2.653 ( 1.863 -0.000 -1.961) 2.705 2.653 ( -1.863 0.000 1.961) 2.705 2.885 ( 3.486 -0.000 -4.432) 5.639 2.885 ( -3.486 0.000 4.432) 5.639 3.004 ( 1.020 -0.000 -2.066) 2.304 3.004 ( -1.020 0.000 2.066) 2.304 3.180 ( 0.884 -0.000 -3.803) 3.904 3.180 ( -0.884 0.000 3.803) 3.904 3.490 ( -1.252 0.000 0.386) 1.310 3.490 ( 1.252 -0.000 -0.386) 1.310 3.544 ( 3.767 -0.000 -1.996) 4.263 3.544 ( -3.767 0.000 1.996) 4.263 3.612 ( 0.079 -0.000 -1.579) 1.581 3.612 ( -0.079 0.000 1.579) 1.581 3.770 ( -3.606 0.000 0.342) 3.622 3.770 ( 3.606 -0.000 -0.342) 3.622 4.006 ( 6.362 -0.000 -2.652) 6.892 4.006 ( -6.362 0.000 2.652) 6.892 4.123 ( -1.154 0.000 -0.154) 1.165 4.123 ( 1.154 -0.000 0.154) 1.165 4.241 ( -4.906 0.000 1.359) 5.091 4.241 ( 4.906 -0.000 -1.359) 5.091 4.315 ( -3.090 0.000 0.074) 3.091 4.315 ( 3.090 -0.000 -0.074) 3.091 4.359 ( -3.842 0.000 -1.410) 4.093 4.359 ( 3.842 -0.000 1.410) 4.093 4.469 ( -0.313 0.000 -1.810) 1.837 4.469 ( 0.313 -0.000 1.810) 1.837 4.488 ( -1.236 0.000 -1.300) 1.793 4.488 ( 1.236 -0.000 1.300) 1.793 4.596 ( -0.561 0.000 -1.472) 1.575 4.596 ( 0.561 -0.000 1.472) 1.575 4.760 ( -2.600 0.000 0.759) 2.709 4.760 ( 2.600 -0.000 -0.759) 2.709 4.832 ( -0.195 0.000 -4.147) 4.151 4.832 ( 0.195 -0.000 4.147) 4.151 4.906 ( -3.141 0.000 -2.576) 4.063 4.906 ( 3.141 -0.000 2.576) 4.063 4.998 ( -3.006 0.000 -0.689) 3.084 4.998 ( 3.006 -0.000 0.689) 3.084 5.086 ( -2.786 0.000 0.039) 2.786 5.086 ( 2.786 -0.000 -0.039) 2.786 5.206 ( 1.469 -0.000 -2.405) 2.818 5.206 ( -1.469 0.000 2.405) 2.818 5.340 ( -2.088 0.000 -2.379) 3.166 5.340 ( 2.088 -0.000 2.379) 3.166 5.428 ( -2.050 0.000 -2.894) 3.547 5.428 ( 2.050 -0.000 2.894) 3.547 5.652 ( -1.323 0.000 -4.948) 5.122 5.652 ( 1.323 -0.000 4.948) 5.122 5.715 ( 2.027 -0.000 -3.773) 4.283 5.715 ( -2.027 0.000 3.773) 4.283 6.095 ( -2.245 0.000 -2.013) 3.015 6.095 ( 2.245 -0.000 2.013) 3.015 12.270 ( -0.789 0.000 -1.179) 1.419 12.270 ( 0.789 -0.000 1.179) 1.419 13.962 ( -13.148 0.000 -1.246) 13.207 13.962 ( 13.148 -0.000 1.246) 13.207 14.627 ( -0.841 0.000 -1.487) 1.708 14.627 ( 0.841 -0.000 1.487) 1.708 14.753 ( -11.617 0.000 -1.159) 11.675 14.753 ( 11.617 -0.000 1.159) 11.675 15.766 ( -4.786 0.000 -1.349) 4.972 15.766 ( 4.786 -0.000 1.349) 4.972 17.013 ( -2.499 0.000 0.195) 2.507 17.013 ( 2.499 -0.000 -0.195) 2.507 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 3.712 -8.649 -5.473) 10.888 0.912 ( 8.677 -6.804 2.424) 11.290 0.979 ( 14.939 -11.699 -8.038) 20.607 1.050 ( 9.318 -12.454 7.111) 17.103 1.391 ( -1.878 -0.525 2.436) 3.120 1.478 ( 7.195 -1.440 -2.366) 7.709 1.615 ( 2.477 -2.291 -23.372) 23.614 1.796 ( -5.703 -2.652 -2.827) 6.896 1.835 ( 1.380 2.004 6.540) 6.978 1.984 ( 0.429 -1.454 -1.329) 2.017 2.019 ( 3.765 -5.041 2.978) 6.961 2.065 ( 3.159 -0.954 9.880) 10.416 2.158 ( -3.628 -0.263 -1.778) 4.049 2.291 ( 2.779 -2.118 3.549) 4.980 2.406 ( -2.135 2.634 -4.214) 5.409 2.541 ( 0.038 2.404 7.523) 7.898 2.595 ( -2.862 -0.598 -0.979) 3.084 2.616 ( -3.210 0.370 0.421) 3.258 2.637 ( 0.695 -2.777 0.559) 2.916 2.684 ( 0.227 -4.071 2.582) 4.825 2.860 ( -4.722 -0.835 3.136) 5.730 2.908 ( 2.028 -1.465 -4.423) 5.082 2.995 ( 1.275 1.753 -1.126) 2.443 3.023 ( 2.042 -0.182 1.162) 2.357 3.166 ( 0.371 0.332 -4.638) 4.665 3.190 ( -0.261 -0.219 1.685) 1.719 3.443 ( -3.782 -0.614 3.428) 5.141 3.461 ( -4.533 -0.855 1.139) 4.752 3.498 ( -3.262 0.215 1.760) 3.713 3.554 ( -1.978 -0.771 -0.425) 2.165 3.678 ( 4.634 -3.093 -0.940) 5.650 3.702 ( 3.518 -3.873 1.441) 5.427 3.811 ( 6.393 -1.923 1.314) 6.804 3.850 ( 6.902 -0.524 -0.641) 6.952 3.978 ( -1.925 -2.749 1.704) 3.764 4.060 ( 4.321 1.310 -1.424) 4.734 4.121 ( -0.030 -0.268 -0.391) 0.475 4.173 ( -0.410 0.332 0.911) 1.053 4.180 ( 0.421 -1.690 -0.431) 1.794 4.262 ( -2.829 -0.536 -0.229) 2.888 4.283 ( -3.484 1.665 -1.673) 4.208 4.308 ( 3.844 0.034 0.747) 3.916 4.342 ( 0.115 -0.167 0.712) 0.740 4.390 ( 1.684 0.702 -1.640) 2.454 4.437 ( -2.585 2.571 1.223) 3.846 4.469 ( -0.363 0.426 0.088) 0.566 4.484 ( -0.977 0.651 3.124) 3.337 4.507 ( 3.923 1.056 -2.450) 4.744 4.594 ( 1.988 -0.251 -1.643) 2.591 4.604 ( 1.777 0.998 -0.772) 2.179 4.715 ( -3.705 0.045 -0.007) 3.705 4.754 ( -1.820 0.207 -1.678) 2.484 4.821 ( 1.072 0.242 -3.461) 3.632 4.843 ( -3.651 1.170 -1.321) 4.055 4.874 ( 3.588 1.105 2.506) 4.514 4.946 ( 2.472 1.691 2.173) 3.700 4.963 ( -2.878 -1.030 -0.049) 3.057 5.032 ( -1.063 2.374 -0.372) 2.627 5.049 ( 2.667 -0.785 1.218) 3.036 5.094 ( 3.312 3.078 -1.587) 4.792 5.171 ( -1.687 2.054 -1.699) 3.155 5.195 ( -0.703 0.682 0.144) 0.990 5.295 ( -2.543 0.368 -3.926) 4.692 5.347 ( -1.889 3.771 -2.790) 5.057 5.373 ( -1.723 0.769 4.787) 5.145 5.403 ( -1.142 6.045 2.940) 6.818 5.578 ( -2.000 2.947 -5.491) 6.545 5.641 ( -2.168 3.300 4.045) 5.653 5.684 ( -2.735 1.321 -1.111) 3.234 5.699 ( -1.610 0.097 1.614) 2.282 6.089 ( -1.641 -4.573 -2.555) 5.489 6.147 ( 1.201 -2.786 1.041) 3.208 12.234 ( -1.620 1.549 -0.578) 2.314 12.276 ( 0.897 0.694 0.701) 1.333 13.770 ( -10.763 2.678 -6.491) 12.851 14.093 ( 11.363 4.408 -1.683) 12.303 14.412 ( -12.814 11.846 3.992) 17.901 14.596 ( 0.819 5.022 2.034) 5.480 14.681 ( 0.187 0.369 0.194) 0.457 14.794 ( 9.818 9.791 -1.937) 14.001 15.826 ( -5.465 -14.781 -4.308) 16.337 16.110 ( 6.705 -23.131 13.207) 27.467 17.040 ( -0.990 -5.507 0.264) 5.601 17.109 ( 3.980 -7.106 0.252) 8.148 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 7.136 -9.458 -3.873) 12.465 1.137 ( 8.275 -6.674 -0.307) 10.635 1.217 ( 6.987 -8.080 -17.278) 20.313 1.349 ( 3.723 -6.163 1.572) 7.370 1.431 ( 4.374 -5.599 7.300) 10.187 1.518 ( -0.306 4.064 7.220) 8.290 1.689 ( 4.621 -3.645 -3.221) 6.709 1.803 ( 5.271 -11.901 -14.204) 19.265 1.869 ( 1.511 2.316 5.249) 5.933 2.007 ( 1.998 -1.403 -0.910) 2.606 2.094 ( 1.566 0.024 0.829) 1.772 2.138 ( -0.858 -4.664 -2.052) 5.167 2.175 ( 3.021 -3.340 -1.243) 4.672 2.298 ( -2.655 0.571 -3.328) 4.295 2.401 ( 0.784 -1.617 4.217) 4.584 2.528 ( -5.268 -0.799 1.142) 5.449 2.554 ( -0.625 0.605 2.130) 2.301 2.632 ( 2.952 -0.576 5.910) 6.631 2.700 ( 0.485 -2.871 3.307) 4.406 2.781 ( 1.596 -5.233 2.423) 5.983 2.822 ( -3.388 0.213 -0.323) 3.410 2.929 ( -0.162 -1.498 -1.029) 1.824 2.982 ( 2.883 2.450 0.327) 3.797 3.067 ( 1.796 -1.422 3.059) 3.822 3.149 ( 1.374 -0.851 -5.873) 6.091 3.196 ( -0.745 -1.158 -0.833) 1.609 3.434 ( -3.447 -1.027 2.446) 4.350 3.451 ( -1.710 0.518 5.397) 5.685 3.480 ( -1.393 -0.377 1.225) 1.892 3.515 ( -4.464 0.139 -0.427) 4.487 3.774 ( 3.233 -3.109 -0.052) 4.486 3.792 ( 1.369 -3.564 1.628) 4.150 3.903 ( 4.654 0.632 -0.363) 4.710 3.944 ( 0.760 -3.931 2.653) 4.803 4.032 ( 3.078 -1.427 -0.190) 3.399 4.085 ( 1.714 -0.905 0.163) 1.945 4.099 ( 0.046 1.712 -0.915) 1.942 4.152 ( 0.382 -1.543 1.168) 1.972 4.205 ( -2.061 1.785 -1.340) 3.038 4.234 ( -1.402 0.223 0.410) 1.478 4.274 ( 2.042 -1.796 -1.985) 3.367 4.321 ( -2.151 1.522 1.022) 2.827 4.357 ( -0.115 0.731 -0.587) 0.944 4.368 ( 1.207 -0.446 -0.734) 1.481 4.404 ( 2.855 1.473 0.033) 3.213 4.444 ( -0.944 2.407 -1.986) 3.259 4.455 ( -0.294 1.814 3.031) 3.545 4.523 ( 1.993 0.538 -0.621) 2.156 4.620 ( 2.737 0.221 -1.168) 2.984 4.622 ( 1.945 -0.022 -1.340) 2.362 4.673 ( -3.015 0.038 0.498) 3.056 4.703 ( -2.962 0.814 -2.929) 4.244 4.770 ( -2.335 0.713 -3.605) 4.354 4.807 ( -0.657 0.932 -0.789) 1.387 4.898 ( 1.726 2.522 1.203) 3.284 4.919 ( 0.933 2.221 -1.039) 2.623 4.964 ( -0.135 1.345 0.179) 1.364 4.994 ( -0.399 1.335 1.385) 1.964 5.079 ( 2.138 1.656 -1.097) 2.918 5.107 ( -0.373 1.608 -2.527) 3.018 5.117 ( 3.215 -0.351 0.518) 3.276 5.183 ( -0.440 0.500 1.875) 1.990 5.227 ( -1.671 3.104 -1.621) 3.880 5.238 ( -1.522 3.516 -1.436) 4.092 5.316 ( -2.242 3.602 2.139) 4.752 5.340 ( -1.177 4.146 2.008) 4.755 5.500 ( -2.836 0.696 -2.072) 3.581 5.576 ( -3.242 1.374 -2.765) 4.477 5.620 ( -2.098 2.547 1.296) 3.545 5.677 ( -3.083 0.426 2.585) 4.046 6.140 ( -0.432 -4.732 -1.093) 4.875 6.207 ( 0.855 -2.949 0.480) 3.108 12.201 ( -0.754 0.488 -0.050) 0.900 12.290 ( 1.228 -0.155 0.849) 1.501 13.566 ( -6.721 4.342 -7.330) 10.852 14.026 ( -0.439 13.841 1.881) 13.975 14.232 ( -1.528 1.185 0.503) 1.998 14.559 ( 2.755 3.852 0.448) 4.757 14.678 ( 0.385 1.143 0.088) 1.209 14.772 ( 5.620 5.068 -1.154) 7.655 15.953 ( -4.310 -13.852 -4.871) 15.303 16.516 ( 1.337 -15.054 13.606) 20.335 17.109 ( -0.983 -4.734 -0.149) 4.837 17.274 ( 2.183 -8.262 0.960) 8.599 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 6.088 -4.963 -0.941) 7.911 1.249 ( 1.677 -4.682 -9.509) 10.731 1.304 ( 2.814 -3.695 -4.627) 6.556 1.375 ( 0.099 0.555 -1.629) 1.724 1.429 ( -4.061 5.938 10.611) 12.820 1.657 ( 4.328 -4.562 4.115) 7.515 1.712 ( -2.248 -2.614 -1.406) 3.723 1.840 ( 1.102 3.885 2.183) 4.591 1.995 ( 2.511 -3.780 -1.923) 4.929 2.056 ( -0.574 -3.478 -0.509) 3.562 2.091 ( 1.377 2.416 -0.169) 2.786 2.208 ( 0.123 0.526 -0.695) 0.881 2.260 ( 5.846 -7.499 -5.264) 10.869 2.293 ( 3.247 -3.258 -2.495) 5.233 2.416 ( -2.377 0.780 0.623) 2.578 2.501 ( -0.734 -0.124 1.370) 1.559 2.575 ( 0.705 -3.114 -2.595) 4.114 2.676 ( -0.857 2.889 6.969) 7.593 2.729 ( -2.024 -0.506 2.236) 3.058 2.776 ( -0.224 0.935 -2.039) 2.255 2.887 ( 0.435 -2.260 2.115) 3.126 2.946 ( 1.479 -2.200 -0.267) 2.664 3.022 ( 2.559 -1.106 2.797) 3.949 3.128 ( 1.916 -0.315 2.248) 2.971 3.147 ( -0.162 -0.720 -3.954) 4.023 3.196 ( -0.653 -0.836 -1.131) 1.551 3.403 ( -0.815 4.008 2.991) 5.067 3.431 ( -3.128 -1.687 1.060) 3.709 3.440 ( -1.393 2.072 -0.497) 2.546 3.487 ( -1.499 -0.919 0.648) 1.874 3.840 ( 1.734 -1.487 0.081) 2.286 3.855 ( -0.126 -2.362 1.344) 2.720 3.927 ( 1.411 0.459 0.114) 1.488 3.996 ( -1.599 -4.561 1.123) 4.962 4.058 ( 1.466 2.783 -0.383) 3.169 4.074 ( 1.036 2.477 -2.287) 3.527 4.115 ( -0.378 -0.699 0.575) 0.981 4.139 ( -1.247 1.129 -0.455) 1.743 4.209 ( 0.723 -0.489 0.794) 1.180 4.225 ( -0.185 -0.566 0.886) 1.068 4.269 ( -1.326 -0.343 0.316) 1.406 4.297 ( 0.494 -1.271 -1.546) 2.061 4.355 ( 0.572 0.818 -0.660) 1.197 4.382 ( 0.361 -0.681 -0.145) 0.784 4.399 ( -0.831 -0.285 1.055) 1.373 4.442 ( 2.506 2.641 1.180) 3.827 4.451 ( 1.300 -0.326 -0.170) 1.351 4.552 ( 3.180 -0.320 0.408) 3.222 4.574 ( -3.112 2.757 -4.080) 5.825 4.608 ( -3.095 0.375 -1.383) 3.410 4.660 ( -0.376 -0.022 0.037) 0.379 4.676 ( 1.525 -0.157 1.393) 2.071 4.747 ( 0.142 -1.329 -3.078) 3.355 4.780 ( -0.798 0.819 0.395) 1.210 4.869 ( 0.032 1.405 0.400) 1.461 4.914 ( -0.718 1.798 -0.363) 1.970 4.933 ( 1.494 0.523 -0.936) 1.839 4.982 ( -0.597 1.030 1.381) 1.823 5.069 ( 0.228 0.923 -0.384) 1.026 5.073 ( -0.116 0.676 -1.021) 1.230 5.150 ( 0.362 0.288 0.836) 0.955 5.191 ( 0.824 0.947 1.536) 1.983 5.213 ( 2.501 -0.105 -3.759) 4.517 5.215 ( 2.302 -1.075 2.271) 3.408 5.250 ( -2.624 1.845 1.396) 3.498 5.285 ( -1.406 2.280 0.182) 2.685 5.437 ( -3.246 0.958 -1.241) 3.605 5.532 ( -0.481 -0.520 -0.756) 1.036 5.573 ( -1.426 1.558 0.248) 2.126 5.650 ( -1.535 0.211 1.130) 1.918 6.182 ( -0.058 -1.777 -0.227) 1.792 6.248 ( 0.353 -1.216 0.122) 1.272 12.196 ( -0.102 -0.116 0.048) 0.161 12.310 ( 0.555 -0.307 0.474) 0.792 13.431 ( -2.293 2.060 -2.874) 4.214 13.864 ( -1.382 5.713 1.008) 5.963 14.229 ( 0.765 0.179 -0.345) 0.858 14.552 ( 1.184 1.109 0.003) 1.622 14.661 ( -0.203 0.896 0.110) 0.926 14.773 ( 1.956 1.381 -0.165) 2.400 16.040 ( -1.587 -5.389 -1.902) 5.931 16.723 ( 0.387 -5.385 5.303) 7.568 17.136 ( -0.752 -1.227 -0.601) 1.560 17.378 ( 0.375 -3.228 0.340) 3.268 ======================= Grid point 107 (49/60) ======================= q-point: ( 0.14 0.14 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 12.348 -0.000 -13.166) 18.050 1.057 ( 11.484 -0.000 -1.674) 11.605 1.070 ( 16.911 -0.000 4.750) 17.565 1.121 ( 11.149 -0.000 -5.082) 12.253 1.424 ( 6.424 -0.000 1.395) 6.574 1.549 ( 12.022 -0.000 -19.044) 22.522 1.551 ( 7.817 -0.000 -3.031) 8.384 1.699 ( -5.047 0.000 -0.486) 5.070 1.907 ( -0.232 0.000 4.396) 4.402 1.949 ( -0.212 0.000 0.163) 0.268 2.043 ( 3.149 -0.000 3.645) 4.817 2.132 ( -0.134 0.000 -1.419) 1.425 2.143 ( 4.045 -0.000 3.187) 5.149 2.262 ( -3.191 0.000 -2.957) 4.351 2.425 ( 0.047 -0.000 2.177) 2.177 2.492 ( -8.522 0.000 1.423) 8.640 2.595 ( -1.589 0.000 -1.235) 2.013 2.628 ( 4.687 -0.000 1.615) 4.958 2.630 ( -0.523 0.000 3.183) 3.225 2.703 ( 4.165 -0.000 11.157) 11.909 2.785 ( -5.906 0.000 1.121) 6.012 2.905 ( 2.509 -0.000 -3.592) 4.382 3.013 ( -0.356 0.000 2.783) 2.805 3.063 ( 2.888 -0.000 -0.742) 2.982 3.145 ( 0.268 -0.000 -5.954) 5.960 3.180 ( -0.973 0.000 0.188) 0.991 3.396 ( -2.944 0.000 -0.056) 2.945 3.438 ( -1.017 0.000 4.256) 4.376 3.502 ( -0.593 0.000 5.247) 5.281 3.511 ( -2.305 0.000 1.140) 2.572 3.695 ( 2.457 -0.000 0.001) 2.457 3.741 ( 4.024 -0.000 1.017) 4.151 3.889 ( 3.840 -0.000 4.223) 5.708 3.944 ( 6.865 -0.000 -1.154) 6.962 3.953 ( 2.087 -0.000 1.105) 2.361 4.097 ( 1.075 -0.000 -2.465) 2.689 4.135 ( -1.706 0.000 0.381) 1.748 4.175 ( 2.032 -0.000 -1.034) 2.280 4.204 ( 7.199 -0.000 -1.702) 7.397 4.216 ( -2.616 0.000 0.307) 2.634 4.256 ( -1.443 0.000 0.435) 1.507 4.330 ( -1.475 0.000 0.173) 1.485 4.360 ( 1.675 -0.000 1.562) 2.290 4.391 ( -0.132 0.000 -3.586) 3.589 4.425 ( -0.042 0.000 -0.954) 0.955 4.479 ( -1.811 0.000 4.089) 4.472 4.514 ( 1.673 -0.000 2.149) 2.723 4.530 ( 0.963 -0.000 -3.012) 3.162 4.629 ( 2.286 -0.000 -2.239) 3.200 4.630 ( 4.399 -0.000 -0.935) 4.497 4.672 ( -2.640 0.000 -0.879) 2.783 4.712 ( -2.657 0.000 -2.766) 3.835 4.788 ( -3.673 0.000 -2.596) 4.498 4.821 ( -0.276 0.000 -1.134) 1.167 4.918 ( -2.815 0.000 0.485) 2.857 4.948 ( 2.627 -0.000 3.415) 4.309 5.006 ( 2.947 -0.000 1.885) 3.498 5.062 ( 1.204 -0.000 0.958) 1.539 5.063 ( 0.874 -0.000 0.765) 1.162 5.139 ( 0.826 -0.000 -1.423) 1.645 5.154 ( -2.503 0.000 -4.586) 5.225 5.164 ( -2.044 0.000 1.841) 2.751 5.242 ( -2.476 0.000 -3.954) 4.666 5.318 ( -4.440 0.000 -0.670) 4.490 5.383 ( -0.557 0.000 2.516) 2.577 5.431 ( -3.575 0.000 1.082) 3.735 5.576 ( -1.520 0.000 -0.799) 1.717 5.592 ( -8.995 0.000 3.416) 9.622 5.625 ( -5.435 0.000 -3.428) 6.426 5.709 ( -0.395 0.000 1.405) 1.460 6.010 ( -0.205 0.000 -4.526) 4.531 6.141 ( 0.609 -0.000 0.891) 1.079 12.223 ( -1.555 0.000 -0.632) 1.678 12.289 ( 0.344 -0.000 0.951) 1.012 13.638 ( -7.159 0.000 -7.145) 10.115 14.243 ( 8.667 -0.000 -2.596) 9.047 14.359 ( -12.172 0.000 0.266) 12.175 14.616 ( -1.838 0.000 2.443) 3.057 14.705 ( 1.855 -0.000 1.780) 2.571 14.991 ( 3.800 -0.000 2.620) 4.616 15.759 ( 3.161 -0.000 -0.547) 3.208 15.967 ( 1.662 -0.000 8.660) 8.818 17.008 ( 1.393 -0.000 1.510) 2.054 17.112 ( 5.435 -0.000 -1.364) 5.603 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.29 0.14 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 14.720 -8.379 -9.608) 19.473 1.091 ( 5.562 -3.592 -23.896) 24.797 1.256 ( 12.168 -0.175 3.700) 12.720 1.367 ( 10.768 -7.467 4.393) 13.821 1.487 ( 2.716 2.466 4.904) 6.124 1.596 ( 1.728 2.191 3.648) 4.593 1.637 ( -4.303 -0.066 -2.690) 5.076 1.769 ( 17.657 -6.799 -6.593) 20.037 1.934 ( 2.086 0.034 2.833) 3.518 1.984 ( 2.524 -2.678 -0.808) 3.768 2.096 ( 0.725 0.825 0.914) 1.429 2.111 ( 1.710 0.225 0.077) 1.727 2.204 ( 4.616 -0.803 -1.316) 4.867 2.247 ( 0.644 -3.383 -3.873) 5.182 2.379 ( -3.997 0.917 -1.003) 4.221 2.447 ( -3.178 -2.585 0.263) 4.106 2.545 ( -1.321 1.162 -2.035) 2.690 2.665 ( -1.991 -2.657 3.383) 4.740 2.730 ( -0.476 -1.836 -1.632) 2.502 2.759 ( 5.539 -2.099 4.794) 7.621 2.812 ( 3.754 1.371 8.891) 9.748 2.926 ( 1.316 -0.272 -0.778) 1.552 3.043 ( 2.296 1.013 2.683) 3.674 3.072 ( 1.220 -1.071 2.827) 3.260 3.152 ( 2.326 -2.141 -4.664) 5.634 3.174 ( 1.070 1.097 0.156) 1.540 3.373 ( -1.777 -1.685 -1.754) 3.012 3.431 ( -3.520 -0.337 0.733) 3.612 3.509 ( 0.647 1.435 4.474) 4.742 3.539 ( 1.287 1.642 7.364) 7.654 3.726 ( -1.065 -2.819 1.216) 3.249 3.796 ( 1.615 -1.985 1.092) 2.782 3.942 ( 0.848 -0.630 4.664) 4.782 3.974 ( 2.523 1.936 0.017) 3.180 4.034 ( 3.095 -2.474 0.113) 3.964 4.093 ( 0.903 -0.300 -2.410) 2.591 4.130 ( 2.408 0.820 -1.108) 2.774 4.172 ( 0.307 0.790 -1.504) 1.726 4.196 ( -0.765 0.316 -0.393) 0.916 4.227 ( 0.797 1.323 -0.455) 1.610 4.279 ( -1.227 -0.026 0.718) 1.422 4.332 ( -0.814 1.580 0.137) 1.783 4.356 ( 1.525 -0.455 -0.606) 1.703 4.366 ( 3.606 -0.465 -3.669) 5.166 4.445 ( 1.512 1.594 0.328) 2.221 4.468 ( -0.951 1.889 -0.642) 2.211 4.509 ( 1.836 0.940 1.212) 2.393 4.537 ( 0.627 -0.459 -0.680) 1.033 4.616 ( -2.303 1.044 -2.373) 3.468 4.646 ( 0.546 1.676 -1.851) 2.556 4.664 ( 1.379 -0.688 0.193) 1.553 4.682 ( -0.873 0.809 -0.278) 1.222 4.731 ( -1.560 0.265 -2.112) 2.639 4.804 ( -0.781 0.519 -0.823) 1.247 4.905 ( -2.060 -1.336 0.836) 2.594 4.960 ( -0.049 2.229 1.676) 2.790 5.011 ( -1.580 3.749 1.261) 4.260 5.023 ( 0.525 2.432 0.816) 2.619 5.080 ( -2.593 0.700 -1.874) 3.275 5.114 ( 0.762 0.118 -1.332) 1.539 5.144 ( 1.509 -0.862 0.451) 1.795 5.169 ( -0.398 -1.428 -0.130) 1.488 5.203 ( -1.692 -0.890 -1.853) 2.662 5.252 ( -3.004 1.554 -0.172) 3.387 5.334 ( -3.583 3.777 1.752) 5.494 5.398 ( -1.567 2.819 2.829) 4.290 5.451 ( -4.743 1.585 -3.187) 5.930 5.528 ( -5.344 0.477 -1.306) 5.522 5.578 ( -4.374 -1.357 1.075) 4.704 5.687 ( -1.032 1.512 -0.478) 1.892 6.047 ( 0.481 -5.590 -1.289) 5.757 6.171 ( 0.091 -2.741 0.431) 2.776 12.202 ( -0.539 0.495 0.028) 0.732 12.300 ( 0.387 -0.208 0.481) 0.652 13.520 ( -3.431 2.597 -4.574) 6.280 14.134 ( -11.580 7.832 2.326) 14.172 14.301 ( 7.779 4.447 -4.152) 9.876 14.599 ( -1.415 1.010 1.770) 2.481 14.727 ( 2.090 2.419 2.143) 3.848 14.965 ( 4.567 8.955 -1.525) 10.167 15.763 ( 1.337 -4.377 -0.419) 4.596 16.251 ( -4.418 -24.085 6.479) 25.330 17.065 ( 1.986 -2.524 2.075) 3.823 17.215 ( 5.119 -5.293 -2.022) 7.636 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.43 0.14 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 5.215 -7.704 -16.188) 18.671 1.241 ( 14.855 -4.565 -5.478) 16.478 1.378 ( 8.685 2.176 -3.291) 9.539 1.452 ( 4.155 6.144 2.047) 7.694 1.543 ( -2.306 3.939 9.023) 10.112 1.574 ( -2.506 -2.308 -6.059) 6.951 1.647 ( 0.685 -5.937 8.549) 10.431 1.901 ( -4.085 2.281 2.131) 5.141 1.935 ( 0.223 -2.704 1.200) 2.967 2.036 ( 2.106 0.277 -1.812) 2.792 2.121 ( 0.306 -0.241 1.994) 2.031 2.204 ( 4.269 -0.724 -1.790) 4.685 2.251 ( 3.433 -3.233 -1.049) 4.831 2.326 ( 6.439 -1.875 -0.295) 6.713 2.356 ( -0.530 -4.239 -4.106) 5.926 2.476 ( 1.771 -1.966 -0.035) 2.646 2.538 ( 2.615 -2.187 -3.980) 5.240 2.651 ( -6.558 -1.338 3.168) 7.405 2.745 ( 1.043 -2.429 -5.422) 6.032 2.792 ( 0.411 5.652 4.764) 7.403 2.926 ( 5.976 -2.607 0.568) 6.544 2.945 ( 1.763 0.878 -0.150) 1.976 3.048 ( 0.689 0.818 1.320) 1.699 3.148 ( 1.469 -0.970 4.184) 4.539 3.169 ( 0.325 1.197 1.807) 2.192 3.211 ( 5.736 0.220 -0.650) 5.777 3.364 ( -3.313 -1.002 -0.818) 3.556 3.395 ( -1.640 0.127 -0.124) 1.650 3.505 ( 1.537 3.280 3.238) 4.858 3.549 ( 2.908 3.296 4.373) 6.200 3.781 ( -1.825 -6.017 1.361) 6.433 3.845 ( 0.984 -1.102 0.807) 1.683 3.963 ( 0.510 1.346 0.709) 1.604 3.974 ( 1.237 0.192 2.101) 2.446 4.080 ( 0.869 -0.299 -0.717) 1.165 4.101 ( 1.744 0.602 -2.296) 2.946 4.123 ( -2.332 0.991 -1.039) 2.739 4.161 ( 0.818 4.050 0.108) 4.134 4.196 ( 2.173 -3.988 0.896) 4.629 4.218 ( -0.373 0.150 0.730) 0.833 4.268 ( 0.379 0.009 0.852) 0.933 4.303 ( -0.176 0.413 -1.668) 1.727 4.365 ( 1.026 -0.358 -1.281) 1.680 4.393 ( 0.966 3.015 -1.111) 3.355 4.413 ( 0.611 2.388 0.327) 2.487 4.461 ( 1.457 -0.066 -0.845) 1.685 4.511 ( 0.204 1.304 1.789) 2.223 4.545 ( -2.101 1.347 -4.277) 4.952 4.572 ( 1.238 -0.089 -1.497) 1.945 4.597 ( -0.445 1.964 0.036) 2.015 4.641 ( -2.073 -0.132 0.308) 2.100 4.705 ( 1.462 0.315 0.506) 1.579 4.720 ( 0.769 -0.840 -0.391) 1.204 4.781 ( -0.877 0.785 -0.377) 1.236 4.881 ( -2.808 0.855 1.227) 3.181 4.924 ( -1.648 2.961 -0.607) 3.443 4.949 ( -0.101 0.692 0.598) 0.921 4.992 ( -1.199 0.904 -0.254) 1.523 5.055 ( -2.175 0.357 2.326) 3.205 5.080 ( -1.846 1.498 -0.727) 2.486 5.143 ( -0.520 -0.424 -2.813) 2.892 5.190 ( -1.400 -0.364 -0.936) 1.723 5.209 ( -0.741 -0.482 -1.060) 1.380 5.226 ( -1.478 -0.880 2.787) 3.275 5.253 ( -0.837 1.878 0.468) 2.109 5.301 ( -3.861 4.001 -0.460) 5.579 5.413 ( -0.457 -0.692 0.580) 1.012 5.502 ( -1.684 -2.662 0.270) 3.161 5.543 ( -2.001 -0.064 -0.085) 2.004 5.659 ( 0.652 0.591 -2.014) 2.198 6.127 ( -0.386 -4.867 0.861) 4.958 6.214 ( -0.567 -3.062 -0.133) 3.117 12.199 ( 0.320 0.097 0.370) 0.498 12.305 ( -0.350 -0.411 -0.493) 0.730 13.447 ( 0.231 2.569 0.293) 2.596 13.909 ( -6.962 6.708 -0.504) 9.681 14.298 ( 5.038 4.590 -2.041) 7.114 14.568 ( -1.820 1.576 0.968) 2.595 14.711 ( 1.896 3.985 1.097) 4.547 14.878 ( 2.774 8.040 -1.332) 8.608 15.911 ( 1.903 -10.938 1.401) 11.190 16.507 ( -7.091 -18.633 0.372) 19.940 17.134 ( 2.464 -1.406 2.448) 3.747 17.338 ( 3.512 -4.984 -2.495) 6.588 ======================= Grid point 110 (52/60) ======================= q-point: (-0.43 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 3.876 -6.545 -3.995) 8.592 1.266 ( 3.295 9.176 -3.149) 10.245 1.415 ( 3.343 6.508 -0.743) 7.354 1.446 ( 3.300 3.136 -2.661) 5.273 1.483 ( 2.062 8.403 10.897) 13.914 1.594 ( -1.786 -4.020 -5.666) 7.173 1.697 ( 0.038 -0.191 -0.569) 0.601 1.823 ( -2.608 1.926 1.846) 3.731 1.976 ( -4.360 -4.960 2.770) 7.161 2.038 ( -1.773 1.203 2.007) 2.935 2.090 ( -1.854 1.469 -1.430) 2.764 2.228 ( 3.142 1.281 -0.890) 3.508 2.278 ( -2.993 -0.144 3.394) 4.528 2.385 ( 0.064 -0.474 -1.851) 1.912 2.416 ( 1.412 3.261 0.761) 3.634 2.467 ( -0.076 -0.120 3.168) 3.171 2.594 ( 3.867 -0.924 -7.336) 8.345 2.654 ( -1.794 -3.158 2.862) 4.624 2.734 ( 0.366 0.113 0.912) 0.989 2.766 ( 1.675 2.034 -4.323) 5.062 2.917 ( -3.076 0.414 -1.187) 3.323 2.946 ( 0.622 2.341 -3.396) 4.172 3.051 ( 1.061 6.179 1.302) 6.403 3.123 ( -1.263 3.473 -0.732) 3.768 3.196 ( 0.812 0.185 6.376) 6.430 3.257 ( 4.405 2.161 -1.650) 5.177 3.365 ( 1.969 -2.539 -0.777) 3.306 3.381 ( 0.406 -2.134 -0.909) 2.355 3.514 ( 3.262 2.009 2.062) 4.351 3.583 ( 6.338 2.611 -0.065) 6.855 3.824 ( -3.369 -0.869 0.488) 3.514 3.844 ( -1.429 -0.645 -0.870) 1.793 3.945 ( 0.956 3.552 -0.587) 3.725 3.999 ( -0.752 -0.833 0.750) 1.350 4.070 ( 0.143 0.779 -0.335) 0.860 4.094 ( 1.550 2.570 0.999) 3.163 4.113 ( 1.104 -1.258 0.288) 1.699 4.150 ( 2.713 -0.196 0.648) 2.796 4.216 ( -0.465 -0.368 -0.487) 0.767 4.235 ( 0.694 1.848 0.646) 2.077 4.282 ( 0.105 0.022 -1.751) 1.754 4.321 ( 0.696 -1.437 0.982) 1.874 4.349 ( 0.380 0.831 0.289) 0.958 4.381 ( -1.738 0.990 -0.502) 2.062 4.398 ( 0.341 0.628 0.272) 0.765 4.423 ( -0.765 3.503 -1.252) 3.798 4.443 ( -2.125 1.180 0.148) 2.435 4.522 ( -1.410 0.144 0.016) 1.417 4.584 ( 2.113 -2.019 0.688) 3.003 4.620 ( -2.815 -0.663 0.076) 2.893 4.651 ( 3.552 -2.211 -0.205) 4.189 4.692 ( 1.451 1.179 0.497) 1.935 4.754 ( -1.077 -0.535 1.530) 1.946 4.780 ( 1.505 -1.300 -0.433) 2.035 4.857 ( -1.221 0.397 0.977) 1.613 4.870 ( -2.534 -1.622 0.226) 3.017 4.938 ( -2.041 2.882 2.983) 4.622 4.967 ( -0.255 -0.538 -1.358) 1.483 5.022 ( -3.865 -1.684 0.714) 4.276 5.067 ( -0.470 -1.245 1.019) 1.676 5.121 ( -3.067 0.514 -1.847) 3.617 5.145 ( -0.243 -0.998 -5.644) 5.737 5.179 ( -2.418 0.525 -1.712) 3.009 5.205 ( -2.656 -0.211 3.281) 4.227 5.243 ( 0.058 -0.195 0.073) 0.216 5.274 ( -0.336 -0.933 1.483) 1.784 5.460 ( 2.834 -2.372 0.293) 3.707 5.533 ( -0.416 -3.333 -0.458) 3.390 5.552 ( 1.582 -0.638 2.435) 2.973 5.667 ( 2.451 -0.644 -3.532) 4.347 6.177 ( -0.610 -2.103 1.376) 2.587 6.235 ( -1.115 -1.442 -0.595) 1.917 12.205 ( 0.628 0.297 0.459) 0.833 12.294 ( -1.289 -0.106 -1.271) 1.813 13.471 ( 3.689 -0.946 4.858) 6.173 13.791 ( -3.345 -1.094 -2.868) 4.540 14.279 ( 3.644 4.355 -0.895) 5.748 14.517 ( -3.945 1.195 0.720) 4.185 14.690 ( 2.094 2.721 0.483) 3.468 14.793 ( -0.160 5.160 -0.756) 5.217 16.092 ( 4.136 -5.737 4.880) 8.593 16.600 ( -7.324 -9.235 -6.943) 13.679 17.191 ( 3.381 0.885 3.149) 4.704 17.397 ( 1.246 -0.711 -3.379) 3.671 ======================= Grid point 111 (53/60) ======================= q-point: (-0.29 0.14 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 3.585 13.072 -2.438) 13.772 1.220 ( -3.306 11.874 3.891) 12.925 1.334 ( -7.035 8.699 10.222) 15.154 1.424 ( 0.989 -2.352 -5.153) 5.750 1.436 ( -3.568 8.126 -3.767) 9.641 1.464 ( 3.758 4.605 -1.880) 6.234 1.715 ( 0.317 3.109 1.375) 3.414 1.815 ( 1.537 -0.138 -3.531) 3.853 1.952 ( -4.252 0.941 4.048) 5.946 2.014 ( -5.324 -3.921 0.314) 6.620 2.031 ( 0.407 6.928 7.566) 10.267 2.189 ( -2.204 4.613 -3.893) 6.426 2.256 ( 1.354 2.859 3.050) 4.394 2.359 ( -2.576 0.798 -6.764) 7.282 2.376 ( 4.584 3.071 4.746) 7.278 2.504 ( -0.594 -0.796 -3.945) 4.068 2.599 ( 4.288 1.791 0.631) 4.689 2.656 ( 2.258 1.889 -1.466) 3.289 2.711 ( -1.579 1.701 -2.952) 3.755 2.764 ( -4.386 -1.810 -0.956) 4.840 2.868 ( 1.011 0.896 0.013) 1.351 2.909 ( -0.740 -0.421 -0.857) 1.208 2.985 ( 0.551 2.918 2.292) 3.751 3.047 ( -2.180 2.974 -1.702) 4.061 3.202 ( -0.478 2.789 5.594) 6.269 3.236 ( 1.222 3.452 -2.402) 4.379 3.439 ( 2.538 -2.531 -0.825) 3.678 3.445 ( 3.656 -1.998 -3.312) 5.322 3.544 ( 3.302 1.673 2.583) 4.514 3.607 ( 5.010 3.465 -2.564) 6.609 3.761 ( -4.299 1.925 0.439) 4.731 3.799 ( -3.430 1.774 -0.468) 3.890 3.886 ( -0.055 4.383 -1.036) 4.504 3.948 ( -5.103 3.085 0.541) 5.988 4.075 ( 3.577 4.317 0.211) 5.611 4.089 ( 2.375 -1.340 -0.903) 2.872 4.122 ( 0.243 3.562 0.064) 3.571 4.188 ( 0.133 3.179 -0.256) 3.192 4.207 ( 0.049 -1.559 1.913) 2.468 4.216 ( -0.336 -1.205 -0.053) 1.252 4.289 ( -1.340 -1.237 -1.055) 2.106 4.314 ( -0.859 1.713 0.905) 2.119 4.335 ( -1.434 -0.592 -1.446) 2.121 4.359 ( 1.118 -1.242 -0.158) 1.678 4.372 ( 0.588 0.010 -0.129) 0.602 4.421 ( -1.360 -1.679 1.596) 2.686 4.455 ( 2.019 -0.816 0.176) 2.185 4.508 ( -0.162 1.289 0.675) 1.464 4.578 ( -2.275 -0.864 -0.671) 2.524 4.607 ( -2.312 0.351 0.507) 2.393 4.714 ( 3.781 -0.478 -0.612) 3.860 4.749 ( 3.168 0.082 1.316) 3.431 4.778 ( 0.113 -3.264 2.310) 4.001 4.805 ( 0.771 -0.956 0.076) 1.230 4.843 ( -1.567 -2.415 0.446) 2.913 4.870 ( -3.890 0.191 2.340) 4.543 4.944 ( 0.779 -4.356 2.693) 5.180 4.974 ( 0.980 -1.033 -2.803) 3.144 5.019 ( -2.123 -2.277 -0.277) 3.125 5.061 ( -4.013 -0.548 -1.706) 4.395 5.102 ( -0.449 -2.049 4.616) 5.070 5.146 ( 0.447 -2.106 -5.313) 5.733 5.176 ( 1.322 -3.827 -0.643) 4.100 5.215 ( -0.977 -3.553 1.019) 3.823 5.273 ( -0.024 -2.670 0.998) 2.851 5.292 ( -0.172 -2.095 -0.496) 2.159 5.521 ( 2.515 -1.641 -0.359) 3.024 5.567 ( -0.992 -2.406 -0.246) 2.614 5.623 ( 2.950 -1.951 4.124) 5.433 5.688 ( 1.815 -1.034 -4.312) 4.792 6.188 ( 0.023 0.969 1.431) 1.728 6.219 ( -1.169 0.920 -1.008) 1.798 12.213 ( 1.198 0.238 0.572) 1.349 12.265 ( -1.888 0.173 -1.222) 2.256 13.619 ( 6.292 -6.008 7.845) 11.714 13.817 ( -2.842 -9.447 -5.432) 11.262 14.275 ( 4.925 2.031 -0.245) 5.333 14.444 ( -7.201 -0.666 0.507) 7.250 14.687 ( 1.060 1.338 1.111) 2.036 14.726 ( -1.094 2.214 -1.218) 2.754 16.209 ( 6.539 4.456 9.602) 12.442 16.512 ( -6.617 2.317 -12.850) 14.638 17.214 ( 3.687 4.528 2.623) 6.401 17.340 ( -2.146 5.284 -3.940) 6.932 ======================= Grid point 112 (54/60) ======================= q-point: (-0.14 0.14 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 5.168 13.222 -9.880) 17.296 0.973 ( -5.168 13.222 9.880) 17.296 1.159 ( 0.843 15.441 -11.016) 18.987 1.159 ( -0.843 15.441 11.016) 18.987 1.446 ( 1.992 1.806 -4.767) 5.473 1.446 ( -1.992 1.806 4.767) 5.473 1.729 ( -2.079 1.431 -11.382) 11.658 1.729 ( 2.079 1.431 11.382) 11.658 1.982 ( 0.039 0.656 -5.318) 5.359 1.982 ( -0.039 0.656 5.318) 5.359 2.024 ( -1.444 4.764 -8.340) 9.713 2.024 ( 1.444 4.764 8.340) 9.713 2.254 ( -3.803 3.483 -3.475) 6.219 2.254 ( 3.803 3.483 3.475) 6.219 2.451 ( -3.537 -1.048 -5.975) 7.022 2.451 ( 3.537 -1.048 5.975) 7.022 2.648 ( -1.360 0.865 -3.241) 3.619 2.648 ( 1.360 0.865 3.241) 3.619 2.682 ( -3.676 1.811 -1.611) 4.403 2.682 ( 3.676 1.811 1.611) 4.403 2.903 ( 2.214 0.052 -4.318) 4.853 2.903 ( -2.214 0.052 4.318) 4.853 2.989 ( -1.770 -0.184 -1.869) 2.581 2.989 ( 1.770 -0.184 1.869) 2.581 3.189 ( 0.194 1.497 -3.332) 3.658 3.189 ( -0.194 1.497 3.332) 3.658 3.475 ( 1.068 -0.484 -2.281) 2.565 3.475 ( -1.068 -0.484 2.281) 2.565 3.565 ( -2.537 2.333 -2.210) 4.094 3.565 ( 2.537 2.333 2.210) 4.094 3.716 ( -2.866 3.117 -0.852) 4.319 3.716 ( 2.866 3.117 0.852) 4.319 3.827 ( -2.190 4.647 0.341) 5.149 3.827 ( 2.190 4.647 -0.341) 5.149 4.044 ( -0.684 3.743 -0.690) 3.867 4.044 ( 0.684 3.743 0.690) 3.867 4.149 ( -2.994 0.239 -0.087) 3.005 4.149 ( 2.994 0.239 0.087) 3.005 4.223 ( -3.778 -0.699 -0.342) 3.857 4.223 ( 3.778 -0.699 0.342) 3.857 4.301 ( -1.756 -1.175 -0.994) 2.335 4.301 ( 1.756 -1.175 0.994) 2.335 4.342 ( -1.934 -0.081 -0.352) 1.967 4.342 ( 1.934 -0.081 0.352) 1.967 4.438 ( 2.266 -2.732 -1.125) 3.724 4.438 ( -2.266 -2.732 1.125) 3.724 4.480 ( 1.596 0.538 -3.636) 4.007 4.480 ( -1.596 0.538 3.636) 4.007 4.582 ( 1.033 -0.557 -0.896) 1.477 4.582 ( -1.033 -0.557 0.896) 1.477 4.755 ( 2.778 -0.034 -1.477) 3.146 4.755 ( -2.778 -0.034 1.477) 3.146 4.817 ( 1.210 -0.954 -3.559) 3.878 4.817 ( -1.210 -0.954 3.559) 3.878 4.875 ( -1.704 -2.276 -2.615) 3.863 4.875 ( 1.704 -2.276 2.615) 3.863 5.005 ( 2.559 -1.709 -1.993) 3.666 5.005 ( -2.559 -1.709 1.993) 3.666 5.025 ( -0.861 -0.797 -0.830) 1.437 5.025 ( 0.861 -0.797 0.830) 1.437 5.160 ( 0.666 -2.689 -4.917) 5.644 5.160 ( -0.666 -2.689 4.917) 5.644 5.294 ( -0.821 -7.554 0.043) 7.599 5.294 ( 0.821 -7.554 -0.043) 7.599 5.319 ( -0.015 -2.613 -3.302) 4.211 5.319 ( 0.015 -2.613 3.302) 4.211 5.579 ( 0.802 -2.503 -5.624) 6.208 5.579 ( -0.802 -2.503 5.624) 6.208 5.691 ( -0.202 -1.219 -3.922) 4.112 5.691 ( 0.202 -1.219 3.922) 4.112 6.171 ( -0.851 3.079 -1.481) 3.521 6.171 ( 0.851 3.079 1.481) 3.521 12.240 ( -1.813 -0.802 -0.653) 2.087 12.240 ( 1.813 -0.802 0.653) 2.087 13.860 ( -8.516 -8.222 -6.202) 13.364 13.860 ( 8.516 -8.222 6.202) 13.364 14.388 ( -0.351 -6.757 -5.533) 8.740 14.388 ( 0.351 -6.757 5.533) 8.740 14.690 ( -0.886 0.247 -1.473) 1.736 14.690 ( 0.886 0.247 1.473) 1.736 16.222 ( -6.108 15.281 -15.872) 22.864 16.222 ( 6.108 15.281 15.872) 22.864 17.177 ( -3.539 8.376 -1.825) 9.275 17.177 ( 3.539 8.376 1.825) 9.275 ======================= Grid point 116 (55/60) ======================= q-point: ( 0.29 0.29 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 6.290 -0.000 -24.454) 25.250 1.033 ( 15.306 -0.000 -9.577) 18.055 1.400 ( 4.266 -0.000 8.215) 9.257 1.442 ( 6.659 -0.000 -3.211) 7.392 1.587 ( 5.215 -0.000 4.703) 7.022 1.594 ( -1.012 0.000 0.087) 1.016 1.657 ( 4.371 -0.000 1.141) 4.517 1.873 ( 4.376 -0.000 0.741) 4.438 1.962 ( 1.318 -0.000 1.267) 1.828 2.048 ( 9.860 -0.000 2.241) 10.112 2.132 ( -2.854 0.000 -1.821) 3.385 2.152 ( 0.369 -0.000 3.005) 3.027 2.186 ( 7.566 -0.000 1.392) 7.693 2.284 ( 7.496 -0.000 -3.516) 8.280 2.321 ( -3.874 0.000 -2.725) 4.737 2.399 ( 0.096 -0.000 -2.930) 2.932 2.520 ( -0.930 0.000 -4.418) 4.515 2.645 ( -1.868 0.000 4.917) 5.260 2.681 ( 3.033 -0.000 -6.089) 6.803 2.864 ( 6.695 -0.000 2.453) 7.130 2.922 ( 0.343 -0.000 -3.140) 3.159 2.924 ( 2.758 -0.000 7.285) 7.790 3.090 ( 0.819 -0.000 -0.073) 0.823 3.106 ( 0.128 -0.000 2.952) 2.955 3.165 ( 6.663 -0.000 5.396) 8.574 3.222 ( 3.509 -0.000 2.984) 4.606 3.346 ( 3.427 -0.000 -4.856) 5.943 3.389 ( -3.257 0.000 0.871) 3.371 3.547 ( -0.497 0.000 2.332) 2.384 3.616 ( 3.232 -0.000 7.451) 8.121 3.733 ( 0.110 -0.000 4.490) 4.491 3.754 ( -3.658 0.000 1.434) 3.929 3.984 ( 2.221 -0.000 3.741) 4.351 3.990 ( -2.253 0.000 0.823) 2.399 4.058 ( 2.410 -0.000 -0.343) 2.434 4.092 ( 1.498 -0.000 -1.192) 1.914 4.149 ( -1.312 0.000 -2.373) 2.712 4.174 ( 3.928 -0.000 -2.106) 4.457 4.196 ( 0.694 -0.000 -0.980) 1.200 4.247 ( -3.380 0.000 0.534) 3.422 4.267 ( 2.930 -0.000 -0.425) 2.961 4.315 ( -1.227 0.000 -1.369) 1.838 4.350 ( 1.222 -0.000 -2.362) 2.659 4.453 ( 4.803 -0.000 -2.229) 5.295 4.476 ( 2.302 -0.000 2.620) 3.488 4.492 ( 0.910 -0.000 -0.159) 0.924 4.508 ( 1.130 -0.000 -3.152) 3.348 4.516 ( -1.066 0.000 -3.208) 3.380 4.568 ( -5.299 0.000 -0.785) 5.356 4.665 ( 0.805 -0.000 -1.592) 1.784 4.670 ( -2.927 0.000 2.500) 3.850 4.686 ( 2.342 -0.000 1.088) 2.583 4.729 ( 1.468 -0.000 -0.761) 1.654 4.794 ( -1.177 0.000 0.243) 1.202 4.873 ( -1.420 0.000 0.075) 1.422 4.958 ( -2.629 0.000 0.442) 2.665 5.020 ( -2.592 0.000 -1.053) 2.797 5.028 ( -2.982 0.000 -1.354) 3.275 5.071 ( -1.268 0.000 5.781) 5.918 5.115 ( 0.694 -0.000 -2.442) 2.539 5.134 ( -0.598 0.000 -3.147) 3.203 5.140 ( -2.899 0.000 0.902) 3.036 5.167 ( -0.553 0.000 1.120) 1.249 5.223 ( -3.452 0.000 2.191) 4.089 5.332 ( -3.222 0.000 -3.457) 4.726 5.378 ( -3.075 0.000 0.838) 3.187 5.405 ( -5.304 0.000 1.657) 5.557 5.445 ( -3.829 0.000 -1.889) 4.270 5.545 ( -1.711 0.000 2.288) 2.857 5.665 ( -1.159 0.000 -4.070) 4.232 6.021 ( 1.948 -0.000 0.384) 1.985 6.149 ( -0.594 0.000 0.429) 0.733 12.203 ( 0.102 -0.000 0.343) 0.358 12.300 ( -0.166 0.000 -0.447) 0.477 13.500 ( -0.543 0.000 -0.821) 0.985 14.040 ( -12.524 0.000 1.730) 12.643 14.411 ( 7.385 -0.000 -6.928) 10.126 14.591 ( -2.392 0.000 2.698) 3.606 14.802 ( 3.046 -0.000 4.226) 5.209 15.051 ( 1.055 -0.000 -1.121) 1.540 15.839 ( 4.156 -0.000 -3.654) 5.533 15.954 ( -5.174 0.000 3.620) 6.314 17.100 ( 3.009 -0.000 4.295) 5.245 17.231 ( 5.673 -0.000 -3.953) 6.915 ======================= Grid point 117 (56/60) ======================= q-point: ( 0.43 0.29 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 7.384 -4.841 -15.044) 17.444 1.232 ( 8.567 -10.916 -9.055) 16.570 1.427 ( 0.101 0.464 -3.831) 3.860 1.504 ( -2.529 -6.540 4.355) 8.255 1.598 ( 5.056 4.527 -0.197) 6.789 1.648 ( 6.500 5.806 5.313) 10.207 1.729 ( 6.051 2.410 6.295) 9.058 1.883 ( -1.906 1.457 0.613) 2.476 1.949 ( -0.495 2.963 -0.199) 3.011 2.073 ( 1.737 2.175 -1.582) 3.202 2.137 ( -1.507 2.143 3.240) 4.167 2.209 ( -0.157 -3.851 2.158) 4.418 2.242 ( -1.291 -2.051 -1.508) 2.854 2.301 ( 4.495 1.280 0.692) 4.724 2.351 ( 0.664 -4.070 -1.263) 4.313 2.469 ( 7.022 -4.178 -3.582) 8.922 2.518 ( 2.037 -2.090 -3.094) 4.253 2.625 ( -3.496 1.992 4.655) 6.153 2.751 ( 10.932 -0.262 -7.776) 13.418 2.860 ( -0.822 2.851 -1.960) 3.556 2.944 ( 0.458 0.199 -0.237) 0.552 2.964 ( -1.754 -0.419 2.232) 2.870 3.087 ( 3.778 -0.171 -0.268) 3.791 3.146 ( 1.308 -3.182 0.264) 3.451 3.254 ( 3.290 3.722 5.778) 7.620 3.283 ( 0.882 2.098 3.980) 4.585 3.371 ( 5.543 0.830 0.399) 5.619 3.406 ( 3.909 -0.207 -1.410) 4.161 3.546 ( 0.338 0.107 1.224) 1.275 3.673 ( 0.184 3.881 3.777) 5.419 3.696 ( 0.834 -3.343 2.762) 4.416 3.820 ( -0.618 -3.788 2.220) 4.434 3.967 ( -1.055 -0.710 1.430) 1.914 4.017 ( 1.818 0.543 1.138) 2.213 4.041 ( -3.980 -0.267 -0.947) 4.100 4.117 ( 1.947 -0.290 1.549) 2.505 4.148 ( 2.039 1.813 -2.865) 3.956 4.191 ( 2.086 0.273 -0.720) 2.223 4.199 ( -2.015 -0.650 -0.368) 2.149 4.213 ( 0.880 -0.183 0.116) 0.906 4.286 ( 0.990 1.518 -0.390) 1.854 4.303 ( 1.415 0.600 0.164) 1.546 4.367 ( 1.287 -0.562 -0.886) 1.660 4.435 ( -0.238 1.750 -2.083) 2.731 4.450 ( -1.274 2.463 -1.250) 3.042 4.465 ( -2.993 0.835 -0.270) 3.119 4.499 ( -1.742 -0.513 -1.673) 2.470 4.542 ( 0.625 -0.254 -1.030) 1.231 4.557 ( 3.020 -0.807 -1.490) 3.463 4.625 ( -2.040 1.615 0.495) 2.649 4.649 ( 0.437 2.789 1.595) 3.243 4.725 ( 1.378 -0.308 0.596) 1.533 4.738 ( 0.403 0.681 1.019) 1.290 4.785 ( 0.496 0.790 0.439) 1.031 4.847 ( -2.680 0.075 -0.404) 2.712 4.941 ( -1.216 -0.366 -0.012) 1.270 4.945 ( -2.399 3.054 -0.947) 3.997 4.982 ( -1.961 1.171 -0.587) 2.359 5.050 ( -1.696 0.616 -0.025) 1.804 5.074 ( -4.244 2.415 1.757) 5.189 5.109 ( -0.544 -0.645 -1.814) 2.001 5.147 ( -1.714 -2.174 -1.174) 3.007 5.174 ( -2.616 0.045 -0.575) 2.679 5.200 ( -2.701 -1.259 3.327) 4.466 5.265 ( -1.034 1.348 -0.945) 1.944 5.294 ( -3.870 2.226 -0.156) 4.467 5.398 ( -0.621 -1.333 1.224) 1.914 5.433 ( -1.248 -2.790 -1.115) 3.254 5.542 ( 0.079 0.031 2.244) 2.246 5.641 ( 0.265 -0.989 -4.786) 4.894 6.074 ( 0.879 -3.296 1.773) 3.844 6.159 ( -1.149 -2.494 -0.142) 2.750 12.210 ( 0.759 0.131 0.744) 1.071 12.290 ( -0.781 -0.039 -1.376) 1.583 13.501 ( 2.051 1.619 2.635) 3.711 13.870 ( -9.678 3.370 -1.140) 10.311 14.424 ( 5.653 4.327 -4.150) 8.241 14.566 ( -2.699 1.107 1.843) 3.451 14.823 ( 3.106 4.986 3.301) 6.738 15.001 ( 0.037 6.426 -2.077) 6.754 15.837 ( 3.768 -4.427 1.226) 5.941 16.123 ( -5.665 -19.396 -1.998) 20.305 17.172 ( 2.971 -1.205 4.986) 5.928 17.299 ( 3.728 -3.701 -4.774) 7.098 ======================= Grid point 118 (57/60) ======================= q-point: ( 0.57 0.29 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 6.759 -8.217 -4.825) 11.683 1.322 ( -6.492 -6.774 -4.722) 10.504 1.457 ( 6.014 4.934 -3.076) 8.365 1.551 ( -2.736 0.588 1.494) 3.172 1.611 ( 7.647 4.607 1.198) 9.007 1.674 ( 6.385 2.427 3.012) 7.465 1.754 ( 1.344 5.291 3.217) 6.336 1.807 ( -3.434 0.366 1.955) 3.968 1.899 ( -0.842 2.695 0.253) 2.835 2.031 ( -5.995 4.065 -1.943) 7.499 2.088 ( 3.349 -0.683 -1.122) 3.598 2.217 ( -4.770 -1.720 1.027) 5.174 2.285 ( 2.343 -0.347 0.520) 2.425 2.341 ( 1.575 -0.714 -3.467) 3.875 2.422 ( -0.112 -4.210 6.233) 7.523 2.533 ( -2.105 0.571 -0.977) 2.390 2.579 ( 5.023 -2.659 -5.249) 7.737 2.600 ( -0.216 -1.500 3.799) 4.090 2.778 ( 3.213 5.073 -3.032) 6.727 2.820 ( 0.959 2.439 -0.378) 2.648 2.890 ( -2.869 2.517 -0.924) 3.927 2.932 ( -3.223 0.112 -0.877) 3.342 3.173 ( 4.509 2.517 -1.177) 5.296 3.198 ( 0.637 7.360 1.639) 7.568 3.231 ( 0.748 -1.164 4.944) 5.134 3.252 ( 0.787 -2.586 -2.744) 3.852 3.413 ( 2.180 2.536 1.126) 3.528 3.422 ( 4.704 3.194 -0.951) 5.765 3.577 ( 3.163 0.070 1.556) 3.525 3.670 ( 0.343 0.427 0.356) 0.653 3.765 ( 0.720 -1.877 1.643) 2.596 3.821 ( -1.896 0.197 -0.732) 2.042 3.992 ( 0.901 -0.665 -0.618) 1.279 4.011 ( -0.344 1.038 1.091) 1.545 4.057 ( -0.233 -3.300 1.832) 3.782 4.087 ( -1.169 3.190 -1.630) 3.769 4.167 ( 0.040 0.835 0.516) 0.982 4.179 ( 3.753 -1.418 0.895) 4.111 4.209 ( 1.845 -0.138 -1.021) 2.113 4.257 ( -0.183 -1.269 -2.297) 2.631 4.277 ( 2.365 1.099 0.542) 2.664 4.329 ( 1.613 0.252 3.044) 3.455 4.349 ( -2.536 1.608 -0.772) 3.100 4.393 ( -3.272 0.061 -0.072) 3.273 4.399 ( -2.237 1.249 0.011) 2.562 4.426 ( -0.987 1.599 -0.343) 1.911 4.472 ( 1.364 2.482 -0.096) 2.834 4.533 ( 1.755 0.892 -0.448) 2.019 4.557 ( -3.048 -0.924 -1.293) 3.437 4.589 ( -1.201 0.588 -0.438) 1.407 4.663 ( 3.587 -0.497 0.354) 3.638 4.716 ( -0.901 0.949 1.210) 1.782 4.759 ( 1.431 -0.926 -0.381) 1.747 4.778 ( 0.279 0.791 -0.518) 0.986 4.829 ( -0.563 -0.384 2.225) 2.327 4.871 ( -1.208 2.363 0.461) 2.694 4.926 ( -2.574 0.099 -2.292) 3.449 4.947 ( -4.025 -0.733 -0.473) 4.119 5.002 ( 0.563 3.273 2.386) 4.090 5.050 ( -0.250 -1.132 1.706) 2.063 5.080 ( -3.475 1.121 -1.660) 4.011 5.105 ( -1.081 -0.241 -4.348) 4.487 5.155 ( 0.153 -0.334 -2.139) 2.171 5.180 ( -3.365 0.150 2.652) 4.287 5.251 ( -0.448 0.738 1.639) 1.853 5.264 ( -0.460 -0.409 0.727) 0.952 5.441 ( 1.444 -3.552 -0.555) 3.874 5.469 ( -0.780 -4.141 -0.210) 4.219 5.578 ( 1.679 -1.228 3.592) 4.151 5.644 ( 0.526 -1.799 -4.784) 5.138 6.141 ( 0.346 -3.374 1.974) 3.924 6.181 ( -1.317 -2.937 -1.008) 3.373 12.224 ( 1.052 0.256 1.028) 1.493 12.269 ( -1.275 0.011 -1.615) 2.058 13.542 ( 4.085 0.547 4.866) 6.377 13.718 ( -6.084 1.458 -3.637) 7.236 14.404 ( 4.933 5.221 -1.760) 7.395 14.503 ( -3.994 3.031 1.170) 5.149 14.792 ( 3.288 5.976 1.171) 6.921 14.874 ( -1.735 7.530 -1.084) 7.803 16.048 ( 5.714 -11.874 5.006) 14.096 16.276 ( -7.446 -15.875 -5.890) 18.497 17.256 ( 3.107 -1.199 5.143) 6.127 17.354 ( 0.375 -3.095 -5.186) 6.051 ======================= Grid point 119 (58/60) ======================= q-point: (-0.29 0.29 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -5.323 -2.791 0.542) 6.035 1.317 ( 5.323 -2.791 -0.542) 6.035 1.390 ( -0.158 9.313 -7.882) 12.202 1.390 ( 0.158 9.313 7.882) 12.202 1.568 ( -2.293 10.293 -4.018) 11.285 1.568 ( 2.293 10.293 4.018) 11.285 1.850 ( -1.418 4.858 -2.758) 5.764 1.850 ( 1.418 4.858 2.758) 5.764 1.872 ( 4.984 -6.145 -4.415) 9.061 1.872 ( -4.984 -6.145 4.415) 9.061 2.158 ( -4.156 0.561 -4.708) 6.305 2.158 ( 4.156 0.561 4.708) 6.305 2.313 ( -1.230 0.721 -3.350) 3.640 2.313 ( 1.230 0.721 3.350) 3.640 2.489 ( 0.174 1.558 -7.218) 7.387 2.489 ( -0.174 1.558 7.218) 7.387 2.649 ( 2.655 -4.419 -2.986) 5.958 2.649 ( -2.655 -4.419 2.986) 5.958 2.723 ( 0.165 5.789 -3.892) 6.977 2.723 ( -0.165 5.789 3.892) 6.977 2.885 ( -2.547 0.041 -1.798) 3.118 2.885 ( 2.547 0.041 1.798) 3.118 3.090 ( -0.648 7.125 -2.099) 7.456 3.090 ( 0.648 7.125 2.099) 7.456 3.269 ( 0.921 1.867 -5.929) 6.284 3.269 ( -0.921 1.867 5.929) 6.284 3.429 ( 0.512 -1.533 -2.270) 2.787 3.429 ( -0.512 -1.533 2.270) 2.787 3.629 ( -3.585 1.122 -2.497) 4.511 3.629 ( 3.585 1.122 2.497) 4.511 3.781 ( -1.359 1.648 -1.192) 2.446 3.781 ( 1.359 1.648 1.192) 2.446 3.969 ( 1.562 4.511 -1.671) 5.058 3.969 ( -1.562 4.511 1.671) 5.058 4.089 ( 1.581 -2.757 -1.361) 3.457 4.089 ( -1.581 -2.757 1.361) 3.457 4.185 ( -1.321 0.670 -0.900) 1.733 4.185 ( 1.321 0.670 0.900) 1.733 4.241 ( -0.458 3.229 -1.083) 3.436 4.241 ( 0.458 3.229 1.083) 3.436 4.280 ( -1.942 0.327 -0.833) 2.138 4.280 ( 1.942 0.327 0.833) 2.138 4.350 ( -0.921 -0.149 -1.057) 1.410 4.350 ( 0.921 -0.149 1.057) 1.410 4.388 ( -0.353 0.737 -1.601) 1.798 4.388 ( 0.353 0.737 1.601) 1.798 4.497 ( -3.844 0.221 -1.221) 4.039 4.497 ( 3.844 0.221 1.221) 4.039 4.573 ( -2.192 -0.478 -0.701) 2.350 4.573 ( 2.192 -0.478 0.701) 2.350 4.721 ( 1.603 -3.010 -1.666) 3.796 4.721 ( -1.603 -3.010 1.666) 3.796 4.785 ( 1.134 -1.132 -1.899) 2.485 4.785 ( -1.134 -1.132 1.899) 2.485 4.836 ( -2.048 1.178 -1.936) 3.055 4.836 ( 2.048 1.178 1.936) 3.055 4.919 ( -1.209 -2.675 -4.402) 5.291 4.919 ( 1.209 -2.675 4.402) 5.291 5.010 ( -1.949 0.667 -1.346) 2.461 5.010 ( 1.949 0.667 1.346) 2.461 5.092 ( 0.949 -1.943 -6.363) 6.720 5.092 ( -0.949 -1.943 6.363) 6.720 5.161 ( 2.219 -0.738 -2.823) 3.666 5.161 ( -2.219 -0.738 2.823) 3.666 5.263 ( 0.337 -0.774 -2.226) 2.380 5.263 ( -0.337 -0.774 2.226) 2.380 5.511 ( 1.425 -3.269 -3.129) 4.745 5.511 ( -1.425 -3.269 3.129) 4.745 5.645 ( -0.951 -1.947 -4.786) 5.254 5.645 ( 0.951 -1.947 4.786) 5.254 6.194 ( -0.761 -1.625 -1.616) 2.415 6.194 ( 0.761 -1.625 1.616) 2.415 12.241 ( -1.485 0.349 -1.284) 1.993 12.241 ( 1.485 0.349 1.284) 1.993 13.645 ( -3.883 -3.615 -6.489) 8.382 13.645 ( 3.883 -3.615 6.489) 8.382 14.393 ( -1.763 4.128 -2.021) 4.923 14.393 ( 1.763 4.128 2.021) 4.923 14.754 ( 0.495 4.676 -3.496) 5.859 14.754 ( -0.495 4.676 3.496) 5.859 16.318 ( -4.840 -7.909 -11.437) 14.723 16.318 ( 4.840 -7.909 11.437) 14.723 17.326 ( -2.202 1.015 -5.839) 6.322 17.326 ( 2.202 1.015 5.839) 6.322 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.43 0.43 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 7.624 -0.000 -7.035) 10.374 1.154 ( -0.545 0.000 -7.421) 7.441 1.404 ( 1.316 -0.000 -4.144) 4.348 1.430 ( -3.372 0.000 4.081) 5.293 1.707 ( 5.224 -0.000 4.070) 6.622 1.799 ( 3.090 -0.000 3.398) 4.593 1.842 ( 4.934 -0.000 3.728) 6.184 1.880 ( -0.840 0.000 -0.582) 1.022 1.973 ( 1.223 -0.000 -1.610) 2.022 2.103 ( -4.904 0.000 -3.402) 5.969 2.142 ( 4.517 -0.000 -1.427) 4.737 2.183 ( 0.228 -0.000 -1.708) 1.723 2.222 ( -2.047 0.000 6.907) 7.204 2.264 ( -3.857 0.000 -1.145) 4.024 2.399 ( 6.833 -0.000 0.193) 6.836 2.512 ( 5.238 -0.000 -1.008) 5.334 2.529 ( 2.321 -0.000 2.317) 3.279 2.601 ( -3.963 0.000 -1.523) 4.246 2.851 ( -0.016 0.000 -3.659) 3.659 2.861 ( 7.138 -0.000 -5.489) 9.004 2.931 ( -3.700 0.000 2.891) 4.696 2.935 ( -2.012 0.000 0.656) 2.116 3.127 ( 4.977 -0.000 -2.938) 5.779 3.151 ( 3.114 -0.000 1.867) 3.631 3.318 ( 0.727 -0.000 2.952) 3.040 3.360 ( -0.472 0.000 3.118) 3.154 3.446 ( 3.216 -0.000 5.608) 6.465 3.481 ( 7.402 -0.000 -4.487) 8.656 3.556 ( 2.016 -0.000 0.935) 2.222 3.636 ( -1.622 0.000 -1.582) 2.266 3.763 ( 0.499 -0.000 3.005) 3.046 3.780 ( -1.351 0.000 2.109) 2.505 3.959 ( -0.033 0.000 2.652) 2.653 3.976 ( -2.565 0.000 -1.405) 2.924 4.064 ( 2.912 -0.000 0.057) 2.913 4.121 ( -3.887 0.000 3.449) 5.197 4.170 ( 2.429 -0.000 -1.062) 2.651 4.179 ( 1.406 -0.000 -1.925) 2.384 4.206 ( -0.272 0.000 -2.138) 2.155 4.221 ( 1.195 -0.000 -1.611) 2.006 4.311 ( 0.406 -0.000 2.382) 2.416 4.332 ( -0.206 0.000 1.374) 1.389 4.376 ( 1.038 -0.000 -0.051) 1.039 4.392 ( -2.368 0.000 -1.854) 3.007 4.420 ( -2.747 0.000 -1.814) 3.292 4.449 ( -1.674 0.000 0.269) 1.696 4.500 ( 1.616 -0.000 -1.589) 2.266 4.542 ( 1.983 -0.000 -1.487) 2.478 4.553 ( -1.674 0.000 0.209) 1.687 4.629 ( -2.777 0.000 -0.239) 2.787 4.698 ( 3.479 -0.000 2.315) 4.179 4.737 ( 0.464 -0.000 -0.767) 0.896 4.744 ( -0.462 0.000 2.616) 2.657 4.818 ( -1.653 0.000 -2.326) 2.853 4.823 ( 2.774 -0.000 1.800) 3.307 4.909 ( -1.828 0.000 -2.222) 2.877 4.957 ( -0.737 0.000 -2.562) 2.666 4.961 ( -2.400 0.000 2.028) 3.142 5.032 ( -2.392 0.000 0.139) 2.396 5.034 ( -2.116 0.000 -1.471) 2.577 5.097 ( -1.177 0.000 0.584) 1.314 5.104 ( -0.512 0.000 -0.785) 0.937 5.157 ( -3.357 0.000 2.828) 4.390 5.159 ( -0.993 0.000 -1.052) 1.447 5.263 ( 0.440 -0.000 -1.045) 1.134 5.275 ( -2.175 0.000 1.950) 2.921 5.382 ( -1.438 0.000 2.489) 2.875 5.394 ( 0.174 -0.000 -3.270) 3.274 5.559 ( 0.174 -0.000 3.938) 3.941 5.609 ( 0.539 -0.000 -5.589) 5.615 6.075 ( 1.327 -0.000 1.712) 2.166 6.122 ( -1.430 0.000 -0.436) 1.495 12.228 ( 1.018 -0.000 1.204) 1.577 12.270 ( -0.971 0.000 -1.766) 2.015 13.569 ( 4.122 -0.000 3.797) 5.604 13.765 ( -8.649 0.000 -2.509) 9.006 14.496 ( 4.593 -0.000 -4.828) 6.664 14.551 ( -3.248 0.000 3.130) 4.511 14.928 ( 2.556 -0.000 5.437) 6.008 15.025 ( -0.871 0.000 -4.162) 4.252 15.875 ( 2.811 -0.000 -5.689) 6.345 15.886 ( -3.133 0.000 4.641) 5.600 17.221 ( 1.497 -0.000 6.510) 6.680 17.282 ( 2.426 -0.000 -6.374) 6.820 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.57 0.43 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -5.490 -5.502 -2.217) 8.083 1.126 ( 5.490 -5.502 2.217) 8.083 1.462 ( 3.310 -6.183 -4.241) 8.196 1.462 ( -3.310 -6.183 4.241) 8.196 1.758 ( -0.654 4.013 -3.381) 5.288 1.758 ( 0.654 4.013 3.381) 5.288 1.842 ( -0.888 5.017 -1.678) 5.364 1.842 ( 0.888 5.017 1.678) 5.364 1.999 ( -4.476 2.718 -3.606) 6.358 1.999 ( 4.476 2.718 3.606) 6.358 2.149 ( 5.316 1.739 -2.074) 5.966 2.149 ( -5.316 1.739 2.074) 5.966 2.281 ( -2.651 -4.785 -1.639) 5.711 2.281 ( 2.651 -4.785 1.639) 5.711 2.469 ( 0.307 1.503 -6.784) 6.955 2.469 ( -0.307 1.503 6.784) 6.955 2.587 ( 1.681 -1.750 -7.023) 7.430 2.587 ( -1.681 -1.750 7.023) 7.430 2.852 ( 2.163 0.872 -1.182) 2.614 2.852 ( -2.163 0.872 1.182) 2.614 2.905 ( -0.031 2.167 -2.083) 3.007 2.905 ( 0.031 2.167 2.083) 3.007 3.194 ( 2.074 -3.010 -3.273) 4.906 3.194 ( -2.074 -3.010 3.273) 4.906 3.303 ( -0.911 5.335 -0.403) 5.428 3.303 ( 0.911 5.335 0.403) 5.428 3.480 ( 0.972 1.984 -4.974) 5.442 3.480 ( -0.972 1.984 4.974) 5.442 3.622 ( -3.271 -1.397 -1.111) 3.726 3.622 ( 3.271 -1.397 1.111) 3.726 3.781 ( -1.239 -1.381 -0.600) 1.950 3.781 ( 1.239 -1.381 0.600) 1.950 3.975 ( 1.960 -1.605 -2.320) 3.435 3.975 ( -1.960 -1.605 2.320) 3.435 4.089 ( -0.615 1.362 -1.920) 2.433 4.089 ( 0.615 1.362 1.920) 2.433 4.188 ( -1.711 -0.255 -1.077) 2.038 4.188 ( 1.711 -0.255 1.077) 2.038 4.214 ( -2.279 -1.564 -1.253) 3.035 4.214 ( 2.279 -1.564 1.253) 3.035 4.322 ( -1.195 0.240 -1.476) 1.915 4.322 ( 1.195 0.240 1.476) 1.915 4.369 ( 0.672 1.572 -1.382) 2.198 4.369 ( -0.672 1.572 1.382) 2.198 4.416 ( -2.488 0.468 -1.249) 2.823 4.416 ( 2.488 0.468 1.249) 2.823 4.512 ( -0.203 0.389 -0.294) 0.528 4.512 ( 0.203 0.389 0.294) 0.528 4.580 ( -1.695 1.131 -0.496) 2.097 4.580 ( 1.695 1.131 0.496) 2.097 4.721 ( -1.412 1.365 -0.639) 2.065 4.721 ( 1.412 1.365 0.639) 2.065 4.769 ( -1.572 0.688 -2.968) 3.428 4.769 ( 1.572 0.688 2.968) 3.428 4.866 ( -2.608 0.285 -2.184) 3.414 4.866 ( 2.608 0.285 2.184) 3.414 4.920 ( 0.776 2.159 -0.805) 2.431 4.920 ( -0.776 2.159 0.805) 2.431 5.039 ( 0.381 -1.741 -1.317) 2.215 5.039 ( -0.381 -1.741 1.317) 2.215 5.076 ( -0.674 2.106 -1.468) 2.654 5.076 ( 0.674 2.106 1.468) 2.654 5.154 ( 1.259 -0.672 -1.471) 2.050 5.154 ( -1.259 -0.672 1.471) 2.050 5.263 ( 0.771 0.419 -2.035) 2.216 5.263 ( -0.771 0.419 2.035) 2.216 5.403 ( 1.026 -2.859 -3.202) 4.414 5.403 ( -1.026 -2.859 3.202) 4.414 5.594 ( -0.233 -1.242 -4.831) 4.993 5.594 ( 0.233 -1.242 4.831) 4.993 6.118 ( -1.277 -2.370 -1.344) 3.009 6.118 ( 1.277 -2.370 1.344) 3.009 12.247 ( -1.086 0.144 -1.552) 1.900 12.247 ( 1.086 0.144 1.552) 1.900 13.643 ( -5.920 1.419 -4.033) 7.303 13.643 ( 5.920 1.419 4.033) 7.303 14.506 ( 3.021 2.552 -3.504) 5.283 14.506 ( -3.021 2.552 3.504) 5.283 14.935 ( -1.217 5.998 -4.707) 7.721 14.935 ( 1.217 5.998 4.707) 7.721 15.966 ( -1.191 -11.179 -6.371) 12.922 15.966 ( 1.191 -11.179 6.371) 12.922 17.282 ( -0.012 -2.199 -6.766) 7.114 17.282 ( 0.012 -2.199 6.766) 7.114 =================== 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 3/16464 10.0 311.344 425.210 495.201 -0.000 43.079 -0.000 3/16464 20.0 81.866 103.634 103.783 -0.000 2.386 -0.000 3/16464 30.0 36.948 43.797 44.905 -0.000 -0.275 -0.000 3/16464 40.0 21.295 24.218 25.411 -0.000 -0.543 -0.000 3/16464 50.0 14.283 15.796 16.868 -0.000 -0.516 -0.000 3/16464 60.0 10.587 11.483 12.415 -0.000 -0.452 -0.000 3/16464 70.0 8.387 8.970 9.782 -0.000 -0.392 -0.000 3/16464 80.0 6.951 7.358 8.073 -0.000 -0.344 -0.000 3/16464 90.0 5.947 6.247 6.883 -0.000 -0.304 -0.000 3/16464 100.0 5.207 5.439 6.010 -0.000 -0.273 -0.000 3/16464 110.0 4.639 4.824 5.341 -0.000 -0.246 -0.000 3/16464 120.0 4.189 4.342 4.814 -0.000 -0.224 -0.000 3/16464 130.0 3.823 3.954 4.386 -0.000 -0.206 -0.000 3/16464 140.0 3.519 3.633 4.031 -0.000 -0.190 -0.000 3/16464 150.0 3.262 3.365 3.733 -0.000 -0.176 -0.000 3/16464 160.0 3.042 3.135 3.477 -0.000 -0.164 -0.000 3/16464 170.0 2.852 2.938 3.256 -0.000 -0.154 -0.000 3/16464 180.0 2.685 2.765 3.063 -0.000 -0.144 -0.000 3/16464 190.0 2.537 2.613 2.892 -0.000 -0.136 -0.000 3/16464 200.0 2.405 2.478 2.740 -0.000 -0.128 -0.000 3/16464 210.0 2.287 2.356 2.604 -0.000 -0.122 -0.000 3/16464 220.0 2.180 2.247 2.481 -0.000 -0.116 -0.000 3/16464 230.0 2.083 2.148 2.370 -0.000 -0.110 -0.000 3/16464 240.0 1.994 2.057 2.268 -0.000 -0.105 -0.000 3/16464 250.0 1.913 1.975 2.175 -0.000 -0.100 -0.000 3/16464 260.0 1.839 1.899 2.089 -0.000 -0.096 -0.000 3/16464 270.0 1.770 1.828 2.011 -0.000 -0.092 -0.000 3/16464 280.0 1.706 1.763 1.938 -0.000 -0.089 -0.000 3/16464 290.0 1.647 1.703 1.870 -0.000 -0.085 -0.000 3/16464 300.0 1.592 1.646 1.807 -0.000 -0.082 -0.000 3/16464 310.0 1.540 1.594 1.748 -0.000 -0.079 -0.000 3/16464 320.0 1.492 1.544 1.693 -0.000 -0.077 -0.000 3/16464 330.0 1.446 1.498 1.641 -0.000 -0.074 -0.000 3/16464 340.0 1.404 1.454 1.592 -0.000 -0.072 -0.000 3/16464 350.0 1.364 1.413 1.547 -0.000 -0.070 -0.000 3/16464 360.0 1.326 1.374 1.503 -0.000 -0.068 -0.000 3/16464 370.0 1.290 1.338 1.463 -0.000 -0.066 -0.000 3/16464 380.0 1.256 1.303 1.424 -0.000 -0.064 -0.000 3/16464 390.0 1.224 1.270 1.387 -0.000 -0.062 -0.000 3/16464 400.0 1.193 1.239 1.353 -0.000 -0.060 -0.000 3/16464 410.0 1.164 1.209 1.320 -0.000 -0.059 -0.000 3/16464 420.0 1.136 1.180 1.288 -0.000 -0.057 -0.000 3/16464 430.0 1.110 1.153 1.258 -0.000 -0.056 -0.000 3/16464 440.0 1.085 1.127 1.229 -0.000 -0.055 -0.000 3/16464 450.0 1.061 1.103 1.202 -0.000 -0.053 -0.000 3/16464 460.0 1.038 1.079 1.176 -0.000 -0.052 -0.000 3/16464 470.0 1.016 1.056 1.151 -0.000 -0.051 -0.000 3/16464 480.0 0.995 1.035 1.127 -0.000 -0.050 -0.000 3/16464 490.0 0.975 1.014 1.104 -0.000 -0.049 -0.000 3/16464 500.0 0.955 0.994 1.082 -0.000 -0.048 -0.000 3/16464 510.0 0.937 0.974 1.061 -0.000 -0.047 -0.000 3/16464 520.0 0.919 0.956 1.040 -0.000 -0.046 -0.000 3/16464 530.0 0.901 0.938 1.021 -0.000 -0.045 -0.000 3/16464 540.0 0.885 0.921 1.002 -0.000 -0.044 -0.000 3/16464 550.0 0.869 0.904 0.984 -0.000 -0.043 -0.000 3/16464 560.0 0.853 0.888 0.966 -0.000 -0.042 -0.000 3/16464 570.0 0.838 0.873 0.949 -0.000 -0.042 -0.000 3/16464 580.0 0.824 0.858 0.933 -0.000 -0.041 -0.000 3/16464 590.0 0.810 0.844 0.917 -0.000 -0.040 -0.000 3/16464 600.0 0.797 0.830 0.902 -0.000 -0.040 -0.000 3/16464 610.0 0.784 0.816 0.887 -0.000 -0.039 -0.000 3/16464 620.0 0.771 0.803 0.873 -0.000 -0.038 -0.000 3/16464 630.0 0.759 0.791 0.859 -0.000 -0.038 -0.000 3/16464 640.0 0.747 0.778 0.846 -0.000 -0.037 -0.000 3/16464 650.0 0.736 0.767 0.833 -0.000 -0.036 -0.000 3/16464 660.0 0.724 0.755 0.820 -0.000 -0.036 -0.000 3/16464 670.0 0.714 0.744 0.808 -0.000 -0.035 -0.000 3/16464 680.0 0.703 0.733 0.796 -0.000 -0.035 -0.000 3/16464 690.0 0.693 0.722 0.784 -0.000 -0.034 -0.000 3/16464 700.0 0.683 0.712 0.773 -0.000 -0.034 -0.000 3/16464 710.0 0.674 0.702 0.762 -0.000 -0.033 -0.000 3/16464 720.0 0.664 0.693 0.752 -0.000 -0.033 -0.000 3/16464 730.0 0.655 0.683 0.742 -0.000 -0.032 -0.000 3/16464 740.0 0.646 0.674 0.732 -0.000 -0.032 -0.000 3/16464 750.0 0.638 0.665 0.722 -0.000 -0.031 -0.000 3/16464 760.0 0.630 0.656 0.712 -0.000 -0.031 -0.000 3/16464 770.0 0.621 0.648 0.703 -0.000 -0.031 -0.000 3/16464 780.0 0.613 0.640 0.694 -0.000 -0.030 -0.000 3/16464 790.0 0.606 0.632 0.685 -0.000 -0.030 -0.000 3/16464 800.0 0.598 0.624 0.677 -0.000 -0.029 -0.000 3/16464 810.0 0.591 0.616 0.669 -0.000 -0.029 -0.000 3/16464 820.0 0.584 0.609 0.660 -0.000 -0.029 -0.000 3/16464 830.0 0.577 0.602 0.652 -0.000 -0.028 -0.000 3/16464 840.0 0.570 0.594 0.645 -0.000 -0.028 -0.000 3/16464 850.0 0.563 0.587 0.637 -0.000 -0.028 -0.000 3/16464 860.0 0.557 0.581 0.630 -0.000 -0.027 -0.000 3/16464 870.0 0.550 0.574 0.623 -0.000 -0.027 -0.000 3/16464 880.0 0.544 0.568 0.615 -0.000 -0.027 -0.000 3/16464 890.0 0.538 0.561 0.609 -0.000 -0.026 -0.000 3/16464 900.0 0.532 0.555 0.602 -0.000 -0.026 -0.000 3/16464 910.0 0.526 0.549 0.595 -0.000 -0.026 -0.000 3/16464 920.0 0.520 0.543 0.589 -0.000 -0.026 -0.000 3/16464 930.0 0.515 0.537 0.582 -0.000 -0.025 -0.000 3/16464 940.0 0.509 0.532 0.576 -0.000 -0.025 -0.000 3/16464 950.0 0.504 0.526 0.570 -0.000 -0.025 -0.000 3/16464 960.0 0.499 0.521 0.564 -0.000 -0.024 -0.000 3/16464 970.0 0.494 0.515 0.559 -0.000 -0.024 -0.000 3/16464 980.0 0.489 0.510 0.553 -0.000 -0.024 -0.000 3/16464 990.0 0.484 0.505 0.547 -0.000 -0.024 -0.000 3/16464 1000.0 0.479 0.500 0.542 -0.000 -0.023 -0.000 3/16464 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:17:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|