----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:29:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.256692325085061 -3.644633870000000 0.000000000000000 b 6.256692325085061 3.644633870000000 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): *1 K 0.44645440639122 0.44645440639122 0.81287557130538 39.098 2 K 0.55354559360878 0.55354559360878 0.18712442869462 39.098 *3 K 0.09031215053872 0.09031215053872 0.69455128657494 39.098 4 K 0.90968784946128 0.90968784946128 0.30544871342506 39.098 *5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *6 Te 0.74238405555721 0.74238405555721 0.76255655762749 127.600 *7 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 8 Te 0.25761594444279 0.25761594444279 0.23744344237251 127.600 *9 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 *10 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 11 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 12 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 *13 O 0.01135634363555 0.01135634363555 0.15316235535005 15.999 *14 O 0.74121672316959 0.74121672316959 0.05777762803905 15.999 *15 O 0.79793798364826 0.79793798364826 0.48135887752121 15.999 16 O 0.20206201635174 0.20206201635174 0.51864112247879 15.999 *17 O 0.68149250514285 0.08698521246551 0.95792642401322 15.999 *18 O 0.44720132121773 0.01183534239859 0.34021689381243 15.999 19 O 0.91301478753449 0.31850749485715 0.04207357598678 15.999 *20 O 0.47556529512447 0.85406636054828 0.84387857424658 15.999 21 O 0.31850749485715 0.91301478753449 0.04207357598678 15.999 *22 O 0.39552889805556 0.77960262322304 0.45738730930006 15.999 23 O 0.14593363945172 0.52443470487554 0.15612142575342 15.999 24 O 0.98816465760141 0.55279867878227 0.65978310618757 15.999 25 O 0.22039737677696 0.60447110194444 0.54261269069994 15.999 *26 O 0.41471718637385 0.41471718637385 0.33906115252943 15.999 27 O 0.01183534239859 0.44720132121773 0.34021689381243 15.999 28 O 0.77960262322304 0.39552889805556 0.45738730930006 15.999 29 O 0.25878327683041 0.25878327683041 0.94222237196095 15.999 30 O 0.52443470487553 0.14593363945172 0.15612142575342 15.999 31 O 0.58528281362615 0.58528281362615 0.66093884747057 15.999 32 O 0.55279867878227 0.98816465760141 0.65978310618757 15.999 33 O 0.60447110194444 0.22039737677696 0.54261269069994 15.999 34 O 0.85406636054828 0.47556529512447 0.84387857424658 15.999 35 O 0.98864365636445 0.98864365636445 0.84683764464995 15.999 36 O 0.08698521246551 0.68149250514285 0.95792642401322 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.513384650170122 0.000000000000000 0.000000000000000 b 0.000000000000000 7.289267740000000 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): *1 K 0.44645440639122 0.00000000000000 0.81287557130538 39.098 > 1 2 K 0.55354559360878 0.00000000000000 0.18712442869462 39.098 > 2 *3 K 0.09031215053872 0.00000000000000 0.69455128657494 39.098 > 3 4 K 0.90968784946128 0.00000000000000 0.30544871342506 39.098 > 4 5 K 0.94645440639122 0.50000000000000 0.81287557130538 39.098 > 1 6 K 0.05354559360878 0.50000000000000 0.18712442869462 39.098 > 2 7 K 0.59031215053872 0.50000000000000 0.69455128657494 39.098 > 3 8 K 0.40968784946128 0.50000000000000 0.30544871342506 39.098 > 4 *9 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 5 *10 Te 0.74238405555721 0.00000000000000 0.76255655762749 127.600 > 6 *11 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 7 12 Te 0.25761594444279 0.00000000000000 0.23744344237251 127.600 > 8 *13 Te 0.75000000000000 0.75000000000000 0.00000000000000 127.600 > 9 *14 Te 0.75000000000000 0.25000000000000 0.50000000000000 127.600 > 10 15 Te 0.75000000000000 0.75000000000000 0.50000000000000 127.600 > 11 16 Te 0.75000000000000 0.25000000000000 0.00000000000000 127.600 > 12 17 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 5 18 Te 0.24238405555721 0.50000000000000 0.76255655762749 127.600 > 6 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 7 20 Te 0.75761594444279 0.50000000000000 0.23744344237251 127.600 > 8 21 Te 0.25000000000000 0.25000000000000 0.00000000000000 127.600 > 9 22 Te 0.25000000000000 0.75000000000000 0.50000000000000 127.600 > 10 23 Te 0.25000000000000 0.25000000000000 0.50000000000000 127.600 > 11 24 Te 0.25000000000000 0.75000000000000 0.00000000000000 127.600 > 12 *25 O 0.01135634363555 0.00000000000000 0.15316235535005 15.999 > 13 *26 O 0.74121672316959 0.00000000000000 0.05777762803905 15.999 > 14 *27 O 0.79793798364826 0.00000000000000 0.48135887752121 15.999 > 15 28 O 0.20206201635174 0.00000000000000 0.51864112247879 15.999 > 16 *29 O 0.38423885880418 0.70274635366133 0.95792642401322 15.999 > 17 *30 O 0.22951833180816 0.78231701059043 0.34021689381243 15.999 > 18 31 O 0.61576114119582 0.70274635366133 0.04207357598678 15.999 > 19 *32 O 0.66481582783637 0.18925053271191 0.84387857424658 15.999 > 20 33 O 0.61576114119582 0.29725364633867 0.04207357598678 15.999 > 21 *34 O 0.58756576063930 0.19203686258374 0.45738730930006 15.999 > 22 35 O 0.33518417216363 0.18925053271191 0.15612142575342 15.999 > 23 36 O 0.77048166819184 0.78231701059043 0.65978310618757 15.999 > 24 37 O 0.41243423936070 0.19203686258374 0.54261269069994 15.999 > 25 *38 O 0.41471718637385 0.00000000000000 0.33906115252943 15.999 > 26 39 O 0.22951833180816 0.21768298940957 0.34021689381243 15.999 > 27 40 O 0.58756576063930 0.80796313741626 0.45738730930006 15.999 > 28 41 O 0.25878327683041 0.00000000000000 0.94222237196095 15.999 > 29 42 O 0.33518417216363 0.81074946728810 0.15612142575342 15.999 > 30 43 O 0.58528281362615 0.00000000000000 0.66093884747057 15.999 > 31 44 O 0.77048166819184 0.21768298940957 0.65978310618757 15.999 > 32 45 O 0.41243423936070 0.80796313741626 0.54261269069994 15.999 > 33 46 O 0.66481582783637 0.81074946728810 0.84387857424658 15.999 > 34 47 O 0.98864365636445 0.00000000000000 0.84683764464995 15.999 > 35 48 O 0.38423885880418 0.29725364633867 0.95792642401322 15.999 > 36 49 O 0.51135634363555 0.50000000000000 0.15316235535005 15.999 > 13 50 O 0.24121672316959 0.50000000000000 0.05777762803905 15.999 > 14 51 O 0.29793798364826 0.50000000000000 0.48135887752121 15.999 > 15 52 O 0.70206201635174 0.50000000000000 0.51864112247879 15.999 > 16 53 O 0.88423885880418 0.20274635366133 0.95792642401322 15.999 > 17 54 O 0.72951833180816 0.28231701059043 0.34021689381243 15.999 > 18 55 O 0.11576114119582 0.20274635366133 0.04207357598678 15.999 > 19 56 O 0.16481582783637 0.68925053271190 0.84387857424658 15.999 > 20 57 O 0.11576114119582 0.79725364633867 0.04207357598678 15.999 > 21 58 O 0.08756576063930 0.69203686258374 0.45738730930006 15.999 > 22 59 O 0.83518417216363 0.68925053271190 0.15612142575342 15.999 > 23 60 O 0.27048166819184 0.28231701059043 0.65978310618757 15.999 > 24 61 O 0.91243423936070 0.69203686258374 0.54261269069994 15.999 > 25 62 O 0.91471718637385 0.50000000000000 0.33906115252943 15.999 > 26 63 O 0.72951833180816 0.71768298940957 0.34021689381243 15.999 > 27 64 O 0.08756576063930 0.30796313741626 0.45738730930006 15.999 > 28 65 O 0.75878327683041 0.50000000000000 0.94222237196095 15.999 > 29 66 O 0.83518417216363 0.31074946728809 0.15612142575342 15.999 > 30 67 O 0.08528281362615 0.50000000000000 0.66093884747057 15.999 > 31 68 O 0.27048166819184 0.71768298940957 0.65978310618757 15.999 > 32 69 O 0.91243423936070 0.30796313741626 0.54261269069994 15.999 > 33 70 O 0.16481582783637 0.31074946728809 0.84387857424658 15.999 > 34 71 O 0.48864365636445 0.50000000000000 0.84683764464995 15.999 > 35 72 O 0.88423885880418 0.79725364633867 0.95792642401322 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.513384650170122 0.000000000000000 0.000000000000000 b 0.000000000000000 14.578535479999999 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): *1 K 0.44645440639122 0.00000000000000 0.81287557130538 39.098 > 1 2 K 0.44645440639122 0.50000000000000 0.81287557130538 39.098 > 1 3 K 0.55354559360878 0.00000000000000 0.18712442869462 39.098 > 2 4 K 0.55354559360878 0.50000000000000 0.18712442869462 39.098 > 2 *5 K 0.09031215053872 0.00000000000000 0.69455128657494 39.098 > 3 6 K 0.09031215053872 0.50000000000000 0.69455128657494 39.098 > 3 7 K 0.90968784946128 0.00000000000000 0.30544871342506 39.098 > 4 8 K 0.90968784946128 0.50000000000000 0.30544871342506 39.098 > 4 9 K 0.94645440639122 0.25000000000000 0.81287557130538 39.098 > 1 10 K 0.94645440639122 0.75000000000000 0.81287557130538 39.098 > 1 11 K 0.05354559360878 0.25000000000000 0.18712442869462 39.098 > 2 12 K 0.05354559360878 0.75000000000000 0.18712442869462 39.098 > 2 13 K 0.59031215053872 0.25000000000000 0.69455128657494 39.098 > 3 14 K 0.59031215053872 0.75000000000000 0.69455128657494 39.098 > 3 15 K 0.40968784946128 0.25000000000000 0.30544871342506 39.098 > 4 16 K 0.40968784946128 0.75000000000000 0.30544871342506 39.098 > 4 *17 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 5 18 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 5 *19 Te 0.74238405555721 0.00000000000000 0.76255655762749 127.600 > 6 20 Te 0.74238405555721 0.50000000000000 0.76255655762749 127.600 > 6 *21 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 7 22 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 7 23 Te 0.25761594444279 0.00000000000000 0.23744344237251 127.600 > 8 24 Te 0.25761594444279 0.50000000000000 0.23744344237251 127.600 > 8 *25 Te 0.75000000000000 0.37500000000000 0.00000000000000 127.600 > 9 26 Te 0.75000000000000 0.87500000000000 0.00000000000000 127.600 > 9 *27 Te 0.75000000000000 0.12500000000000 0.50000000000000 127.600 > 10 28 Te 0.75000000000000 0.62500000000000 0.50000000000000 127.600 > 10 29 Te 0.75000000000000 0.37500000000000 0.50000000000000 127.600 > 11 30 Te 0.75000000000000 0.87500000000000 0.50000000000000 127.600 > 11 31 Te 0.75000000000000 0.12500000000000 0.00000000000000 127.600 > 12 32 Te 0.75000000000000 0.62500000000000 0.00000000000000 127.600 > 12 33 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 5 34 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 5 35 Te 0.24238405555721 0.25000000000000 0.76255655762749 127.600 > 6 36 Te 0.24238405555721 0.75000000000000 0.76255655762749 127.600 > 6 37 Te 0.00000000000000 0.25000000000000 0.50000000000000 127.600 > 7 38 Te 0.00000000000000 0.75000000000000 0.50000000000000 127.600 > 7 39 Te 0.75761594444279 0.25000000000000 0.23744344237251 127.600 > 8 40 Te 0.75761594444279 0.75000000000000 0.23744344237251 127.600 > 8 41 Te 0.25000000000000 0.12500000000000 0.00000000000000 127.600 > 9 42 Te 0.25000000000000 0.62500000000000 0.00000000000000 127.600 > 9 43 Te 0.25000000000000 0.37500000000000 0.50000000000000 127.600 > 10 44 Te 0.25000000000000 0.87500000000000 0.50000000000000 127.600 > 10 45 Te 0.25000000000000 0.12500000000000 0.50000000000000 127.600 > 11 46 Te 0.25000000000000 0.62500000000000 0.50000000000000 127.600 > 11 47 Te 0.25000000000000 0.37500000000000 0.00000000000000 127.600 > 12 48 Te 0.25000000000000 0.87500000000000 0.00000000000000 127.600 > 12 *49 O 0.01135634363555 0.00000000000000 0.15316235535005 15.999 > 13 50 O 0.01135634363555 0.50000000000000 0.15316235535005 15.999 > 13 *51 O 0.74121672316959 0.00000000000000 0.05777762803905 15.999 > 14 52 O 0.74121672316959 0.50000000000000 0.05777762803905 15.999 > 14 *53 O 0.79793798364826 0.00000000000000 0.48135887752121 15.999 > 15 54 O 0.79793798364826 0.50000000000000 0.48135887752121 15.999 > 15 55 O 0.20206201635174 0.00000000000000 0.51864112247879 15.999 > 16 56 O 0.20206201635174 0.50000000000000 0.51864112247879 15.999 > 16 *57 O 0.38423885880418 0.35137317683067 0.95792642401322 15.999 > 17 58 O 0.38423885880418 0.85137317683067 0.95792642401322 15.999 > 17 *59 O 0.22951833180816 0.39115850529522 0.34021689381243 15.999 > 18 60 O 0.22951833180816 0.89115850529522 0.34021689381243 15.999 > 18 61 O 0.61576114119582 0.35137317683067 0.04207357598678 15.999 > 19 62 O 0.61576114119582 0.85137317683067 0.04207357598678 15.999 > 19 *63 O 0.66481582783637 0.09462526635595 0.84387857424658 15.999 > 20 64 O 0.66481582783637 0.59462526635595 0.84387857424658 15.999 > 20 65 O 0.61576114119582 0.14862682316933 0.04207357598678 15.999 > 21 66 O 0.61576114119582 0.64862682316933 0.04207357598678 15.999 > 21 *67 O 0.58756576063930 0.09601843129187 0.45738730930006 15.999 > 22 68 O 0.58756576063930 0.59601843129187 0.45738730930006 15.999 > 22 69 O 0.33518417216363 0.09462526635595 0.15612142575342 15.999 > 23 70 O 0.33518417216363 0.59462526635595 0.15612142575342 15.999 > 23 71 O 0.77048166819184 0.39115850529522 0.65978310618757 15.999 > 24 72 O 0.77048166819184 0.89115850529522 0.65978310618757 15.999 > 24 73 O 0.41243423936070 0.09601843129187 0.54261269069994 15.999 > 25 74 O 0.41243423936070 0.59601843129187 0.54261269069994 15.999 > 25 *75 O 0.41471718637385 0.00000000000000 0.33906115252943 15.999 > 26 76 O 0.41471718637385 0.50000000000000 0.33906115252943 15.999 > 26 77 O 0.22951833180816 0.10884149470478 0.34021689381243 15.999 > 27 78 O 0.22951833180816 0.60884149470478 0.34021689381243 15.999 > 27 79 O 0.58756576063930 0.40398156870813 0.45738730930006 15.999 > 28 80 O 0.58756576063930 0.90398156870813 0.45738730930006 15.999 > 28 81 O 0.25878327683041 0.00000000000000 0.94222237196095 15.999 > 29 82 O 0.25878327683041 0.50000000000000 0.94222237196095 15.999 > 29 83 O 0.33518417216363 0.40537473364405 0.15612142575342 15.999 > 30 84 O 0.33518417216363 0.90537473364405 0.15612142575342 15.999 > 30 85 O 0.58528281362615 0.00000000000000 0.66093884747057 15.999 > 31 86 O 0.58528281362615 0.50000000000000 0.66093884747057 15.999 > 31 87 O 0.77048166819184 0.10884149470478 0.65978310618757 15.999 > 32 88 O 0.77048166819184 0.60884149470478 0.65978310618757 15.999 > 32 89 O 0.41243423936070 0.40398156870813 0.54261269069994 15.999 > 33 90 O 0.41243423936070 0.90398156870813 0.54261269069994 15.999 > 33 91 O 0.66481582783637 0.40537473364405 0.84387857424658 15.999 > 34 92 O 0.66481582783637 0.90537473364405 0.84387857424658 15.999 > 34 93 O 0.98864365636445 0.00000000000000 0.84683764464995 15.999 > 35 94 O 0.98864365636445 0.50000000000000 0.84683764464995 15.999 > 35 95 O 0.38423885880418 0.14862682316933 0.95792642401322 15.999 > 36 96 O 0.38423885880418 0.64862682316933 0.95792642401322 15.999 > 36 97 O 0.51135634363555 0.25000000000000 0.15316235535005 15.999 > 13 98 O 0.51135634363555 0.75000000000000 0.15316235535005 15.999 > 13 99 O 0.24121672316959 0.25000000000000 0.05777762803905 15.999 > 14 100 O 0.24121672316959 0.75000000000000 0.05777762803905 15.999 > 14 101 O 0.29793798364826 0.25000000000000 0.48135887752121 15.999 > 15 102 O 0.29793798364826 0.75000000000000 0.48135887752121 15.999 > 15 103 O 0.70206201635174 0.25000000000000 0.51864112247879 15.999 > 16 104 O 0.70206201635174 0.75000000000000 0.51864112247879 15.999 > 16 105 O 0.88423885880418 0.10137317683067 0.95792642401322 15.999 > 17 106 O 0.88423885880418 0.60137317683067 0.95792642401322 15.999 > 17 107 O 0.72951833180816 0.14115850529522 0.34021689381243 15.999 > 18 108 O 0.72951833180816 0.64115850529522 0.34021689381243 15.999 > 18 109 O 0.11576114119582 0.10137317683067 0.04207357598678 15.999 > 19 110 O 0.11576114119582 0.60137317683067 0.04207357598678 15.999 > 19 111 O 0.16481582783637 0.34462526635595 0.84387857424658 15.999 > 20 112 O 0.16481582783637 0.84462526635595 0.84387857424658 15.999 > 20 113 O 0.11576114119582 0.39862682316933 0.04207357598678 15.999 > 21 114 O 0.11576114119582 0.89862682316933 0.04207357598678 15.999 > 21 115 O 0.08756576063930 0.34601843129187 0.45738730930006 15.999 > 22 116 O 0.08756576063930 0.84601843129187 0.45738730930006 15.999 > 22 117 O 0.83518417216363 0.34462526635595 0.15612142575342 15.999 > 23 118 O 0.83518417216363 0.84462526635595 0.15612142575342 15.999 > 23 119 O 0.27048166819184 0.14115850529522 0.65978310618757 15.999 > 24 120 O 0.27048166819184 0.64115850529522 0.65978310618757 15.999 > 24 121 O 0.91243423936070 0.34601843129187 0.54261269069994 15.999 > 25 122 O 0.91243423936070 0.84601843129187 0.54261269069994 15.999 > 25 123 O 0.91471718637385 0.25000000000000 0.33906115252943 15.999 > 26 124 O 0.91471718637385 0.75000000000000 0.33906115252943 15.999 > 26 125 O 0.72951833180816 0.35884149470478 0.34021689381243 15.999 > 27 126 O 0.72951833180816 0.85884149470478 0.34021689381243 15.999 > 27 127 O 0.08756576063930 0.15398156870813 0.45738730930006 15.999 > 28 128 O 0.08756576063930 0.65398156870813 0.45738730930006 15.999 > 28 129 O 0.75878327683041 0.25000000000000 0.94222237196095 15.999 > 29 130 O 0.75878327683041 0.75000000000000 0.94222237196095 15.999 > 29 131 O 0.83518417216363 0.15537473364405 0.15612142575342 15.999 > 30 132 O 0.83518417216363 0.65537473364405 0.15612142575342 15.999 > 30 133 O 0.08528281362615 0.25000000000000 0.66093884747057 15.999 > 31 134 O 0.08528281362615 0.75000000000000 0.66093884747057 15.999 > 31 135 O 0.27048166819184 0.35884149470478 0.65978310618757 15.999 > 32 136 O 0.27048166819184 0.85884149470478 0.65978310618757 15.999 > 32 137 O 0.91243423936070 0.15398156870813 0.54261269069994 15.999 > 33 138 O 0.91243423936070 0.65398156870813 0.54261269069994 15.999 > 33 139 O 0.16481582783637 0.15537473364405 0.84387857424658 15.999 > 34 140 O 0.16481582783637 0.65537473364405 0.84387857424658 15.999 > 34 141 O 0.48864365636445 0.25000000000000 0.84683764464995 15.999 > 35 142 O 0.48864365636445 0.75000000000000 0.84683764464995 15.999 > 35 143 O 0.88423885880418 0.39862682316933 0.95792642401322 15.999 > 36 144 O 0.88423885880418 0.89862682316933 0.95792642401322 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2903794 0.0000000 -0.2240970 0.0000000 4.8986457 0.0000000 -0.2240970 0.0000000 5.0336414 -------------------------- Born effective charges -------------------------- 1 K 1.4274571 -0.0000000 -0.0480656 -0.0000000 1.2895951 -0.0000000 -0.0685183 0.0000000 1.2477907 2 K 1.4274571 -0.0000000 -0.0480656 -0.0000000 1.2895951 -0.0000000 -0.0685183 0.0000000 1.2477907 3 K 1.2610550 -0.0000000 -0.1040640 -0.0000000 1.3199298 -0.0000000 -0.1604962 0.0000000 1.3168374 4 K 1.2610550 -0.0000000 -0.1040640 -0.0000000 1.3199298 -0.0000000 -0.1604962 0.0000000 1.3168374 5 Te 6.6616664 -0.0000000 2.6537797 -0.0000000 4.8782719 -0.0000000 0.4459767 0.0000000 4.6783625 6 Te 4.5666269 -0.0000000 -0.5052524 -0.0000000 5.0082539 -0.0000000 -1.6015535 0.0000000 6.6250683 7 Te 6.7641741 -0.0000000 0.7897862 -0.0000000 4.9840161 -0.0000000 0.7655006 0.0000000 5.0082987 8 Te 4.5666269 -0.0000000 -0.5052524 -0.0000000 5.0082539 -0.0000000 -1.6015535 0.0000000 6.6250683 9 Te 4.5850437 0.8403824 -1.7088117 0.5607586 6.6966117 -1.3542327 0.4015120 -1.0957251 6.2858789 10 Te 5.8411159 0.7787757 -0.1043408 0.7327466 6.5123818 -0.7796826 -0.3707333 0.1416795 3.9070280 11 Te 5.8411159 -0.7787757 -0.1043408 -0.7327466 6.5123818 0.7796826 -0.3707333 -0.1416795 3.9070280 12 Te 4.5850437 -0.8403824 -1.7088117 -0.5607586 6.6966117 1.3542327 0.4015120 1.0957251 6.2858789 13 O -2.0313475 -0.0000000 -0.4014880 -0.0000000 -1.2109412 -0.0000000 -0.2561217 0.0000000 -2.1792521 14 O -1.2075075 -0.0000000 0.4022707 -0.0000000 -3.6583605 -0.0000000 0.1064109 0.0000000 -1.5492262 15 O -1.3237608 -0.0000000 0.2655178 -0.0000000 -4.1315025 -0.0000000 0.1683167 0.0000000 -1.0612237 16 O -1.3237608 -0.0000000 0.2655178 -0.0000000 -4.1315025 -0.0000000 0.1683167 0.0000000 -1.0612237 17 O -2.7474625 0.9229880 -0.1737007 0.8905245 -1.9434922 -0.1403041 -0.3219720 -0.1136071 -1.8373805 18 O -1.4441523 -0.4442926 0.5851658 -0.5330478 -1.7942176 1.1503742 0.5124264 0.3284091 -2.3607751 19 O -2.7474625 -0.9229880 -0.1737007 -0.8905245 -1.9434922 0.1403041 -0.3219720 0.1136071 -1.8373805 20 O -1.5679406 0.6732838 0.6095079 0.9364862 -2.2261753 -1.3055724 0.9800524 -1.4661390 -2.8648931 21 O -2.7474625 0.9229880 -0.1737007 0.8905245 -1.9434922 -0.1403041 -0.3219720 -0.1136071 -1.8373805 22 O -3.0243499 -0.9840188 -0.0875871 -1.0319313 -1.9039105 0.2839608 -0.0790945 0.1001064 -1.1011008 23 O -1.5679406 -0.6732838 0.6095079 -0.9364862 -2.2261753 1.3055724 0.9800524 1.4661390 -2.8648931 24 O -1.4441523 0.4442926 0.5851658 0.5330478 -1.7942176 -1.1503742 0.5124264 -0.3284091 -2.3607751 25 O -3.0243499 0.9840188 -0.0875871 1.0319313 -1.9039105 -0.2839608 -0.0790945 -0.1001064 -1.1011008 26 O -2.2637925 -0.0000000 -1.3843207 -0.0000000 -1.0215209 -0.0000000 -1.0073795 0.0000000 -3.1079331 27 O -1.4441523 0.4442926 0.5851658 0.5330478 -1.7942176 -1.1503742 0.5124264 -0.3284091 -2.3607751 28 O -3.0243499 0.9840188 -0.0875871 1.0319313 -1.9039105 -0.2839608 -0.0790945 -0.1001064 -1.1011008 29 O -1.2075075 -0.0000000 0.4022707 -0.0000000 -3.6583605 -0.0000000 0.1064109 0.0000000 -1.5492262 30 O -1.5679406 0.6732838 0.6095079 0.9364862 -2.2261753 -1.3055724 0.9800524 -1.4661390 -2.8648931 31 O -2.2637925 -0.0000000 -1.3843207 -0.0000000 -1.0215209 -0.0000000 -1.0073795 0.0000000 -3.1079331 32 O -1.4441523 -0.4442926 0.5851658 -0.5330478 -1.7942176 1.1503742 0.5124264 0.3284091 -2.3607751 33 O -3.0243499 -0.9840188 -0.0875871 -1.0319313 -1.9039105 0.2839608 -0.0790945 0.1001064 -1.1011008 34 O -1.5679406 -0.6732838 0.6095079 -0.9364862 -2.2261753 1.3055724 0.9800524 1.4661390 -2.8648931 35 O -2.0313475 -0.0000000 -0.4014880 -0.0000000 -1.2109412 -0.0000000 -0.2561217 0.0000000 -2.1792521 36 O -2.7474625 -0.9229880 -0.1737007 -0.8905245 -1.9434922 0.1403041 -0.3219720 0.1136071 -1.8373805 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29340/29340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6105 Number of blocks in projector: 6105 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: 1438 Use submatrix version of eigh solver. (1) Block: 500 / 1438 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1438 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1438 / 1438 (1) 425 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1174 Use submatrix version of eigh solver. (1) Block: 500 / 1174 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1000 / 1174 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1174 / 1174 (1) 162 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1174 Use submatrix version of eigh solver. (1) Block: 500 / 1174 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1000 / 1174 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1174 / 1174 (1) 162 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 773 Use submatrix version of eigh solver. (1) Block: 500 / 773 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 773 / 773 (1) 264 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 773 Use submatrix version of eigh solver. (1) Block: 500 / 773 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 773 / 773 (1) 264 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 773 Use submatrix version of eigh solver. (1) Block: 500 / 773 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 773 / 773 (1) 264 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6105, 6007), data: False |-- (773, 758), data: False |-- (773, 9), data: (773, 24) @ (24, 9) |-- (273, 264), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (773, 758), data: False |-- (773, 9), data: (773, 24) @ (24, 9) |-- (273, 264), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (773, 758), data: False |-- (773, 9), data: (773, 24) @ (24, 9) |-- (273, 264), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (1174, 1162), data: False |-- (1174, 20), data: (1174, 32) @ (32, 20) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1174, 1162), data: False |-- (1174, 20), data: (1174, 32) @ (32, 20) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1438, 1409), data: False |-- (1438, 38), data: (1438, 67) @ (67, 38) |-- (438, 425), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 231), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 20), data: (500, 49) @ (49, 20) |-- (250, 221), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.937 Solver_block: 200 / 1120 - Time: 1.721 Solver_block: 300 / 1120 - Time: 1.725 Solver_block: 400 / 1120 - Time: 1.723 Solver_block: 500 / 1120 - Time: 1.727 Solver_block: 600 / 1120 - Time: 1.728 Solver_block: 700 / 1120 - Time: 1.726 Solver_block: 800 / 1120 - Time: 1.726 Solver_block: 900 / 1120 - Time: 1.728 Solver_block: 1000 / 1120 - Time: 1.728 Solver_block: 1100 / 1120 - Time: 1.727 Solver_block: 1120 / 1120 - Time: 0.577 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.280 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 29340/29340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6105 Number of blocks in projector: 6105 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: 1438 Use submatrix version of eigh solver. (1) Block: 500 / 1438 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1438 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1438 / 1438 (1) 425 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1174 Use submatrix version of eigh solver. (1) Block: 500 / 1174 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1000 / 1174 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1174 / 1174 (1) 162 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1174 Use submatrix version of eigh solver. (1) Block: 500 / 1174 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1000 / 1174 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1174 / 1174 (1) 162 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 773 Use submatrix version of eigh solver. (1) Block: 500 / 773 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 773 / 773 (1) 264 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 773 Use submatrix version of eigh solver. (1) Block: 500 / 773 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 773 / 773 (1) 264 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 773 Use submatrix version of eigh solver. (1) Block: 500 / 773 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 773 / 773 (1) 264 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6105, 6007), data: False |-- (773, 758), data: False |-- (773, 9), data: (773, 24) @ (24, 9) |-- (273, 264), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (773, 758), data: False |-- (773, 9), data: (773, 24) @ (24, 9) |-- (273, 264), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (773, 758), data: False |-- (773, 9), data: (773, 24) @ (24, 9) |-- (273, 264), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (1174, 1162), data: False |-- (1174, 20), data: (1174, 32) @ (32, 20) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1174, 1162), data: False |-- (1174, 20), data: (1174, 32) @ (32, 20) |-- (174, 162), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1438, 1409), data: False |-- (1438, 38), data: (1438, 67) @ (67, 38) |-- (438, 425), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 231), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 20), data: (500, 49) @ (49, 20) |-- (250, 221), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:30:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:30:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.256692325085061 -3.644633870000000 0.000000000000000 b 6.256692325085061 3.644633870000000 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): 1 K 0.44645440639122 0.44645440639122 0.81287557130538 39.098 2 K 0.55354559360878 0.55354559360878 0.18712442869462 39.098 3 K 0.09031215053872 0.09031215053872 0.69455128657494 39.098 4 K 0.90968784946128 0.90968784946128 0.30544871342506 39.098 5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 6 Te 0.74238405555721 0.74238405555721 0.76255655762749 127.600 7 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 8 Te 0.25761594444279 0.25761594444279 0.23744344237251 127.600 9 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 10 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 11 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 12 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 13 O 0.01135634363555 0.01135634363555 0.15316235535005 15.999 14 O 0.74121672316959 0.74121672316959 0.05777762803905 15.999 15 O 0.79793798364826 0.79793798364826 0.48135887752121 15.999 16 O 0.20206201635174 0.20206201635174 0.51864112247879 15.999 17 O 0.68149250514285 0.08698521246551 0.95792642401322 15.999 18 O 0.44720132121773 0.01183534239859 0.34021689381243 15.999 19 O 0.91301478753449 0.31850749485715 0.04207357598678 15.999 20 O 0.47556529512447 0.85406636054828 0.84387857424658 15.999 21 O 0.31850749485715 0.91301478753449 0.04207357598678 15.999 22 O 0.39552889805556 0.77960262322304 0.45738730930006 15.999 23 O 0.14593363945172 0.52443470487554 0.15612142575342 15.999 24 O 0.98816465760141 0.55279867878227 0.65978310618757 15.999 25 O 0.22039737677696 0.60447110194444 0.54261269069994 15.999 26 O 0.41471718637385 0.41471718637385 0.33906115252943 15.999 27 O 0.01183534239859 0.44720132121773 0.34021689381243 15.999 28 O 0.77960262322304 0.39552889805556 0.45738730930006 15.999 29 O 0.25878327683041 0.25878327683041 0.94222237196095 15.999 30 O 0.52443470487553 0.14593363945172 0.15612142575342 15.999 31 O 0.58528281362615 0.58528281362615 0.66093884747057 15.999 32 O 0.55279867878227 0.98816465760141 0.65978310618757 15.999 33 O 0.60447110194444 0.22039737677696 0.54261269069994 15.999 34 O 0.85406636054828 0.47556529512447 0.84387857424658 15.999 35 O 0.98864365636445 0.98864365636445 0.84683764464995 15.999 36 O 0.08698521246551 0.68149250514285 0.95792642401322 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.513384650170122 0.000000000000000 0.000000000000000 b 0.000000000000000 14.578535479999999 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): 1 K 0.44645440639122 0.00000000000000 0.81287557130538 39.098 > 1 2 K 0.44645440639122 0.50000000000000 0.81287557130538 39.098 > 1 3 K 0.55354559360878 0.00000000000000 0.18712442869462 39.098 > 3 4 K 0.55354559360878 0.50000000000000 0.18712442869462 39.098 > 3 5 K 0.09031215053872 0.00000000000000 0.69455128657494 39.098 > 5 6 K 0.09031215053872 0.50000000000000 0.69455128657494 39.098 > 5 7 K 0.90968784946128 0.00000000000000 0.30544871342506 39.098 > 7 8 K 0.90968784946128 0.50000000000000 0.30544871342506 39.098 > 7 9 K 0.94645440639122 0.25000000000000 0.81287557130538 39.098 > 1 10 K 0.94645440639122 0.75000000000000 0.81287557130538 39.098 > 1 11 K 0.05354559360878 0.25000000000000 0.18712442869462 39.098 > 3 12 K 0.05354559360878 0.75000000000000 0.18712442869462 39.098 > 3 13 K 0.59031215053872 0.25000000000000 0.69455128657494 39.098 > 5 14 K 0.59031215053872 0.75000000000000 0.69455128657494 39.098 > 5 15 K 0.40968784946128 0.25000000000000 0.30544871342506 39.098 > 7 16 K 0.40968784946128 0.75000000000000 0.30544871342506 39.098 > 7 17 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 17 18 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 17 19 Te 0.74238405555721 0.00000000000000 0.76255655762749 127.600 > 19 20 Te 0.74238405555721 0.50000000000000 0.76255655762749 127.600 > 19 21 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 21 22 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 21 23 Te 0.25761594444279 0.00000000000000 0.23744344237251 127.600 > 23 24 Te 0.25761594444279 0.50000000000000 0.23744344237251 127.600 > 23 25 Te 0.75000000000000 0.37500000000000 0.00000000000000 127.600 > 25 26 Te 0.75000000000000 0.87500000000000 0.00000000000000 127.600 > 25 27 Te 0.75000000000000 0.12500000000000 0.50000000000000 127.600 > 27 28 Te 0.75000000000000 0.62500000000000 0.50000000000000 127.600 > 27 29 Te 0.75000000000000 0.37500000000000 0.50000000000000 127.600 > 29 30 Te 0.75000000000000 0.87500000000000 0.50000000000000 127.600 > 29 31 Te 0.75000000000000 0.12500000000000 0.00000000000000 127.600 > 31 32 Te 0.75000000000000 0.62500000000000 0.00000000000000 127.600 > 31 33 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 17 34 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 17 35 Te 0.24238405555721 0.25000000000000 0.76255655762749 127.600 > 19 36 Te 0.24238405555721 0.75000000000000 0.76255655762749 127.600 > 19 37 Te 0.00000000000000 0.25000000000000 0.50000000000000 127.600 > 21 38 Te 0.00000000000000 0.75000000000000 0.50000000000000 127.600 > 21 39 Te 0.75761594444279 0.25000000000000 0.23744344237251 127.600 > 23 40 Te 0.75761594444279 0.75000000000000 0.23744344237251 127.600 > 23 41 Te 0.25000000000000 0.12500000000000 0.00000000000000 127.600 > 25 42 Te 0.25000000000000 0.62500000000000 0.00000000000000 127.600 > 25 43 Te 0.25000000000000 0.37500000000000 0.50000000000000 127.600 > 27 44 Te 0.25000000000000 0.87500000000000 0.50000000000000 127.600 > 27 45 Te 0.25000000000000 0.12500000000000 0.50000000000000 127.600 > 29 46 Te 0.25000000000000 0.62500000000000 0.50000000000000 127.600 > 29 47 Te 0.25000000000000 0.37500000000000 0.00000000000000 127.600 > 31 48 Te 0.25000000000000 0.87500000000000 0.00000000000000 127.600 > 31 49 O 0.01135634363555 0.00000000000000 0.15316235535005 15.999 > 49 50 O 0.01135634363555 0.50000000000000 0.15316235535005 15.999 > 49 51 O 0.74121672316959 0.00000000000000 0.05777762803905 15.999 > 51 52 O 0.74121672316959 0.50000000000000 0.05777762803905 15.999 > 51 53 O 0.79793798364826 0.00000000000000 0.48135887752121 15.999 > 53 54 O 0.79793798364826 0.50000000000000 0.48135887752121 15.999 > 53 55 O 0.20206201635174 0.00000000000000 0.51864112247879 15.999 > 55 56 O 0.20206201635174 0.50000000000000 0.51864112247879 15.999 > 55 57 O 0.38423885880418 0.35137317683067 0.95792642401322 15.999 > 57 58 O 0.38423885880418 0.85137317683067 0.95792642401322 15.999 > 57 59 O 0.22951833180816 0.39115850529522 0.34021689381243 15.999 > 59 60 O 0.22951833180816 0.89115850529522 0.34021689381243 15.999 > 59 61 O 0.61576114119582 0.35137317683067 0.04207357598678 15.999 > 61 62 O 0.61576114119582 0.85137317683067 0.04207357598678 15.999 > 61 63 O 0.66481582783637 0.09462526635595 0.84387857424658 15.999 > 63 64 O 0.66481582783637 0.59462526635595 0.84387857424658 15.999 > 63 65 O 0.61576114119582 0.14862682316933 0.04207357598678 15.999 > 65 66 O 0.61576114119582 0.64862682316933 0.04207357598678 15.999 > 65 67 O 0.58756576063930 0.09601843129187 0.45738730930006 15.999 > 67 68 O 0.58756576063930 0.59601843129187 0.45738730930006 15.999 > 67 69 O 0.33518417216363 0.09462526635595 0.15612142575342 15.999 > 69 70 O 0.33518417216363 0.59462526635595 0.15612142575342 15.999 > 69 71 O 0.77048166819184 0.39115850529522 0.65978310618757 15.999 > 71 72 O 0.77048166819184 0.89115850529522 0.65978310618757 15.999 > 71 73 O 0.41243423936070 0.09601843129187 0.54261269069994 15.999 > 73 74 O 0.41243423936070 0.59601843129187 0.54261269069994 15.999 > 73 75 O 0.41471718637385 0.00000000000000 0.33906115252943 15.999 > 75 76 O 0.41471718637385 0.50000000000000 0.33906115252943 15.999 > 75 77 O 0.22951833180816 0.10884149470478 0.34021689381243 15.999 > 77 78 O 0.22951833180816 0.60884149470478 0.34021689381243 15.999 > 77 79 O 0.58756576063930 0.40398156870813 0.45738730930006 15.999 > 79 80 O 0.58756576063930 0.90398156870813 0.45738730930006 15.999 > 79 81 O 0.25878327683041 0.00000000000000 0.94222237196095 15.999 > 81 82 O 0.25878327683041 0.50000000000000 0.94222237196095 15.999 > 81 83 O 0.33518417216363 0.40537473364405 0.15612142575342 15.999 > 83 84 O 0.33518417216363 0.90537473364405 0.15612142575342 15.999 > 83 85 O 0.58528281362615 0.00000000000000 0.66093884747057 15.999 > 85 86 O 0.58528281362615 0.50000000000000 0.66093884747057 15.999 > 85 87 O 0.77048166819184 0.10884149470478 0.65978310618757 15.999 > 87 88 O 0.77048166819184 0.60884149470478 0.65978310618757 15.999 > 87 89 O 0.41243423936070 0.40398156870813 0.54261269069994 15.999 > 89 90 O 0.41243423936070 0.90398156870813 0.54261269069994 15.999 > 89 91 O 0.66481582783637 0.40537473364405 0.84387857424658 15.999 > 91 92 O 0.66481582783637 0.90537473364405 0.84387857424658 15.999 > 91 93 O 0.98864365636445 0.00000000000000 0.84683764464995 15.999 > 93 94 O 0.98864365636445 0.50000000000000 0.84683764464995 15.999 > 93 95 O 0.38423885880418 0.14862682316933 0.95792642401322 15.999 > 95 96 O 0.38423885880418 0.64862682316933 0.95792642401322 15.999 > 95 97 O 0.51135634363555 0.25000000000000 0.15316235535005 15.999 > 49 98 O 0.51135634363555 0.75000000000000 0.15316235535005 15.999 > 49 99 O 0.24121672316959 0.25000000000000 0.05777762803905 15.999 > 51 100 O 0.24121672316959 0.75000000000000 0.05777762803905 15.999 > 51 101 O 0.29793798364826 0.25000000000000 0.48135887752121 15.999 > 53 102 O 0.29793798364826 0.75000000000000 0.48135887752121 15.999 > 53 103 O 0.70206201635174 0.25000000000000 0.51864112247879 15.999 > 55 104 O 0.70206201635174 0.75000000000000 0.51864112247879 15.999 > 55 105 O 0.88423885880418 0.10137317683067 0.95792642401322 15.999 > 57 106 O 0.88423885880418 0.60137317683067 0.95792642401322 15.999 > 57 107 O 0.72951833180816 0.14115850529522 0.34021689381243 15.999 > 59 108 O 0.72951833180816 0.64115850529522 0.34021689381243 15.999 > 59 109 O 0.11576114119582 0.10137317683067 0.04207357598678 15.999 > 61 110 O 0.11576114119582 0.60137317683067 0.04207357598678 15.999 > 61 111 O 0.16481582783637 0.34462526635595 0.84387857424658 15.999 > 63 112 O 0.16481582783637 0.84462526635595 0.84387857424658 15.999 > 63 113 O 0.11576114119582 0.39862682316933 0.04207357598678 15.999 > 65 114 O 0.11576114119582 0.89862682316933 0.04207357598678 15.999 > 65 115 O 0.08756576063930 0.34601843129187 0.45738730930006 15.999 > 67 116 O 0.08756576063930 0.84601843129187 0.45738730930006 15.999 > 67 117 O 0.83518417216363 0.34462526635595 0.15612142575342 15.999 > 69 118 O 0.83518417216363 0.84462526635595 0.15612142575342 15.999 > 69 119 O 0.27048166819184 0.14115850529522 0.65978310618757 15.999 > 71 120 O 0.27048166819184 0.64115850529522 0.65978310618757 15.999 > 71 121 O 0.91243423936070 0.34601843129187 0.54261269069994 15.999 > 73 122 O 0.91243423936070 0.84601843129187 0.54261269069994 15.999 > 73 123 O 0.91471718637385 0.25000000000000 0.33906115252943 15.999 > 75 124 O 0.91471718637385 0.75000000000000 0.33906115252943 15.999 > 75 125 O 0.72951833180816 0.35884149470478 0.34021689381243 15.999 > 77 126 O 0.72951833180816 0.85884149470478 0.34021689381243 15.999 > 77 127 O 0.08756576063930 0.15398156870813 0.45738730930006 15.999 > 79 128 O 0.08756576063930 0.65398156870813 0.45738730930006 15.999 > 79 129 O 0.75878327683041 0.25000000000000 0.94222237196095 15.999 > 81 130 O 0.75878327683041 0.75000000000000 0.94222237196095 15.999 > 81 131 O 0.83518417216363 0.15537473364405 0.15612142575342 15.999 > 83 132 O 0.83518417216363 0.65537473364405 0.15612142575342 15.999 > 83 133 O 0.08528281362615 0.25000000000000 0.66093884747057 15.999 > 85 134 O 0.08528281362615 0.75000000000000 0.66093884747057 15.999 > 85 135 O 0.27048166819184 0.35884149470478 0.65978310618757 15.999 > 87 136 O 0.27048166819184 0.85884149470478 0.65978310618757 15.999 > 87 137 O 0.91243423936070 0.15398156870813 0.54261269069994 15.999 > 89 138 O 0.91243423936070 0.65398156870813 0.54261269069994 15.999 > 89 139 O 0.16481582783637 0.15537473364405 0.84387857424658 15.999 > 91 140 O 0.16481582783637 0.65537473364405 0.84387857424658 15.999 > 91 141 O 0.48864365636445 0.25000000000000 0.84683764464995 15.999 > 93 142 O 0.48864365636445 0.75000000000000 0.84683764464995 15.999 > 93 143 O 0.88423885880418 0.39862682316933 0.95792642401322 15.999 > 95 144 O 0.88423885880418 0.89862682316933 0.95792642401322 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2903794 0.0000000 -0.2240970 0.0000000 4.8986457 0.0000000 -0.2240970 0.0000000 5.0336414 -------------------------- Born effective charges -------------------------- 1 K 1.4274571 -0.0000000 -0.0480656 -0.0000000 1.2895951 -0.0000000 -0.0685183 0.0000000 1.2477907 2 K 1.4274571 -0.0000000 -0.0480656 -0.0000000 1.2895951 -0.0000000 -0.0685183 0.0000000 1.2477907 3 K 1.2610550 -0.0000000 -0.1040640 -0.0000000 1.3199298 -0.0000000 -0.1604962 0.0000000 1.3168374 4 K 1.2610550 -0.0000000 -0.1040640 -0.0000000 1.3199298 -0.0000000 -0.1604962 0.0000000 1.3168374 5 Te 6.6616664 -0.0000000 2.6537797 -0.0000000 4.8782719 -0.0000000 0.4459767 0.0000000 4.6783625 6 Te 4.5666269 -0.0000000 -0.5052524 -0.0000000 5.0082539 -0.0000000 -1.6015535 0.0000000 6.6250683 7 Te 6.7641741 -0.0000000 0.7897862 -0.0000000 4.9840161 -0.0000000 0.7655006 0.0000000 5.0082987 8 Te 4.5666269 -0.0000000 -0.5052524 -0.0000000 5.0082539 -0.0000000 -1.6015535 0.0000000 6.6250683 9 Te 4.5850437 0.8403824 -1.7088117 0.5607586 6.6966117 -1.3542327 0.4015120 -1.0957251 6.2858789 10 Te 5.8411159 0.7787757 -0.1043408 0.7327466 6.5123818 -0.7796826 -0.3707333 0.1416795 3.9070280 11 Te 5.8411159 -0.7787757 -0.1043408 -0.7327466 6.5123818 0.7796826 -0.3707333 -0.1416795 3.9070280 12 Te 4.5850437 -0.8403824 -1.7088117 -0.5607586 6.6966117 1.3542327 0.4015120 1.0957251 6.2858789 13 O -2.0313475 -0.0000000 -0.4014880 -0.0000000 -1.2109412 -0.0000000 -0.2561217 0.0000000 -2.1792521 14 O -1.2075075 -0.0000000 0.4022707 -0.0000000 -3.6583605 -0.0000000 0.1064109 0.0000000 -1.5492262 15 O -1.3237608 -0.0000000 0.2655178 -0.0000000 -4.1315025 -0.0000000 0.1683167 0.0000000 -1.0612237 16 O -1.3237608 -0.0000000 0.2655178 -0.0000000 -4.1315025 -0.0000000 0.1683167 0.0000000 -1.0612237 17 O -2.7474625 0.9229880 -0.1737007 0.8905245 -1.9434922 -0.1403041 -0.3219720 -0.1136071 -1.8373805 18 O -1.4441523 -0.4442926 0.5851658 -0.5330478 -1.7942176 1.1503742 0.5124264 0.3284091 -2.3607751 19 O -2.7474625 -0.9229880 -0.1737007 -0.8905245 -1.9434922 0.1403041 -0.3219720 0.1136071 -1.8373805 20 O -1.5679406 0.6732838 0.6095079 0.9364862 -2.2261753 -1.3055724 0.9800524 -1.4661390 -2.8648931 21 O -2.7474625 0.9229880 -0.1737007 0.8905245 -1.9434922 -0.1403041 -0.3219720 -0.1136071 -1.8373805 22 O -3.0243499 -0.9840188 -0.0875871 -1.0319313 -1.9039105 0.2839608 -0.0790945 0.1001064 -1.1011008 23 O -1.5679406 -0.6732838 0.6095079 -0.9364862 -2.2261753 1.3055724 0.9800524 1.4661390 -2.8648931 24 O -1.4441523 0.4442926 0.5851658 0.5330478 -1.7942176 -1.1503742 0.5124264 -0.3284091 -2.3607751 25 O -3.0243499 0.9840188 -0.0875871 1.0319313 -1.9039105 -0.2839608 -0.0790945 -0.1001064 -1.1011008 26 O -2.2637925 -0.0000000 -1.3843207 -0.0000000 -1.0215209 -0.0000000 -1.0073795 0.0000000 -3.1079331 27 O -1.4441523 0.4442926 0.5851658 0.5330478 -1.7942176 -1.1503742 0.5124264 -0.3284091 -2.3607751 28 O -3.0243499 0.9840188 -0.0875871 1.0319313 -1.9039105 -0.2839608 -0.0790945 -0.1001064 -1.1011008 29 O -1.2075075 -0.0000000 0.4022707 -0.0000000 -3.6583605 -0.0000000 0.1064109 0.0000000 -1.5492262 30 O -1.5679406 0.6732838 0.6095079 0.9364862 -2.2261753 -1.3055724 0.9800524 -1.4661390 -2.8648931 31 O -2.2637925 -0.0000000 -1.3843207 -0.0000000 -1.0215209 -0.0000000 -1.0073795 0.0000000 -3.1079331 32 O -1.4441523 -0.4442926 0.5851658 -0.5330478 -1.7942176 1.1503742 0.5124264 0.3284091 -2.3607751 33 O -3.0243499 -0.9840188 -0.0875871 -1.0319313 -1.9039105 0.2839608 -0.0790945 0.1001064 -1.1011008 34 O -1.5679406 -0.6732838 0.6095079 -0.9364862 -2.2261753 1.3055724 0.9800524 1.4661390 -2.8648931 35 O -2.0313475 -0.0000000 -0.4014880 -0.0000000 -1.2109412 -0.0000000 -0.2561217 0.0000000 -2.1792521 36 O -2.7474625 -0.9229880 -0.1737007 -0.8905245 -1.9434922 0.1403041 -0.3219720 0.1136071 -1.8373805 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 19, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 21, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 57, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 63, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 67, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 75, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:32:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:32:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.256692325085061 -3.644633870000000 0.000000000000000 b 6.256692325085061 3.644633870000000 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): 1 K 0.44645440639122 0.44645440639122 0.81287557130538 39.098 2 K 0.55354559360878 0.55354559360878 0.18712442869462 39.098 3 K 0.09031215053872 0.09031215053872 0.69455128657494 39.098 4 K 0.90968784946128 0.90968784946128 0.30544871342506 39.098 5 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 6 Te 0.74238405555721 0.74238405555721 0.76255655762749 127.600 7 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 8 Te 0.25761594444279 0.25761594444279 0.23744344237251 127.600 9 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 10 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 11 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 12 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 13 O 0.01135634363555 0.01135634363555 0.15316235535005 15.999 14 O 0.74121672316959 0.74121672316959 0.05777762803905 15.999 15 O 0.79793798364826 0.79793798364826 0.48135887752121 15.999 16 O 0.20206201635174 0.20206201635174 0.51864112247879 15.999 17 O 0.68149250514285 0.08698521246551 0.95792642401322 15.999 18 O 0.44720132121773 0.01183534239859 0.34021689381243 15.999 19 O 0.91301478753449 0.31850749485715 0.04207357598678 15.999 20 O 0.47556529512447 0.85406636054828 0.84387857424658 15.999 21 O 0.31850749485715 0.91301478753449 0.04207357598678 15.999 22 O 0.39552889805556 0.77960262322304 0.45738730930006 15.999 23 O 0.14593363945172 0.52443470487554 0.15612142575342 15.999 24 O 0.98816465760141 0.55279867878227 0.65978310618757 15.999 25 O 0.22039737677696 0.60447110194444 0.54261269069994 15.999 26 O 0.41471718637385 0.41471718637385 0.33906115252943 15.999 27 O 0.01183534239859 0.44720132121773 0.34021689381243 15.999 28 O 0.77960262322304 0.39552889805556 0.45738730930006 15.999 29 O 0.25878327683041 0.25878327683041 0.94222237196095 15.999 30 O 0.52443470487553 0.14593363945172 0.15612142575342 15.999 31 O 0.58528281362615 0.58528281362615 0.66093884747057 15.999 32 O 0.55279867878227 0.98816465760141 0.65978310618757 15.999 33 O 0.60447110194444 0.22039737677696 0.54261269069994 15.999 34 O 0.85406636054828 0.47556529512447 0.84387857424658 15.999 35 O 0.98864365636445 0.98864365636445 0.84683764464995 15.999 36 O 0.08698521246551 0.68149250514285 0.95792642401322 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.513384650170122 0.000000000000000 0.000000000000000 b 0.000000000000000 14.578535479999999 0.000000000000000 c -3.774094644738375 0.000000000000000 11.611018510456280 Atomic positions (fractional): 1 K 0.44645440639122 0.00000000000000 0.81287557130538 39.098 > 1 2 K 0.44645440639122 0.50000000000000 0.81287557130538 39.098 > 1 3 K 0.55354559360878 0.00000000000000 0.18712442869462 39.098 > 3 4 K 0.55354559360878 0.50000000000000 0.18712442869462 39.098 > 3 5 K 0.09031215053872 0.00000000000000 0.69455128657494 39.098 > 5 6 K 0.09031215053872 0.50000000000000 0.69455128657494 39.098 > 5 7 K 0.90968784946128 0.00000000000000 0.30544871342506 39.098 > 7 8 K 0.90968784946128 0.50000000000000 0.30544871342506 39.098 > 7 9 K 0.94645440639122 0.25000000000000 0.81287557130538 39.098 > 1 10 K 0.94645440639122 0.75000000000000 0.81287557130538 39.098 > 1 11 K 0.05354559360878 0.25000000000000 0.18712442869462 39.098 > 3 12 K 0.05354559360878 0.75000000000000 0.18712442869462 39.098 > 3 13 K 0.59031215053872 0.25000000000000 0.69455128657494 39.098 > 5 14 K 0.59031215053872 0.75000000000000 0.69455128657494 39.098 > 5 15 K 0.40968784946128 0.25000000000000 0.30544871342506 39.098 > 7 16 K 0.40968784946128 0.75000000000000 0.30544871342506 39.098 > 7 17 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 17 18 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 17 19 Te 0.74238405555721 0.00000000000000 0.76255655762749 127.600 > 19 20 Te 0.74238405555721 0.50000000000000 0.76255655762749 127.600 > 19 21 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 21 22 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 21 23 Te 0.25761594444279 0.00000000000000 0.23744344237251 127.600 > 23 24 Te 0.25761594444279 0.50000000000000 0.23744344237251 127.600 > 23 25 Te 0.75000000000000 0.37500000000000 0.00000000000000 127.600 > 25 26 Te 0.75000000000000 0.87500000000000 0.00000000000000 127.600 > 25 27 Te 0.75000000000000 0.12500000000000 0.50000000000000 127.600 > 27 28 Te 0.75000000000000 0.62500000000000 0.50000000000000 127.600 > 27 29 Te 0.75000000000000 0.37500000000000 0.50000000000000 127.600 > 29 30 Te 0.75000000000000 0.87500000000000 0.50000000000000 127.600 > 29 31 Te 0.75000000000000 0.12500000000000 0.00000000000000 127.600 > 31 32 Te 0.75000000000000 0.62500000000000 0.00000000000000 127.600 > 31 33 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 17 34 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 17 35 Te 0.24238405555721 0.25000000000000 0.76255655762749 127.600 > 19 36 Te 0.24238405555721 0.75000000000000 0.76255655762749 127.600 > 19 37 Te 0.00000000000000 0.25000000000000 0.50000000000000 127.600 > 21 38 Te 0.00000000000000 0.75000000000000 0.50000000000000 127.600 > 21 39 Te 0.75761594444279 0.25000000000000 0.23744344237251 127.600 > 23 40 Te 0.75761594444279 0.75000000000000 0.23744344237251 127.600 > 23 41 Te 0.25000000000000 0.12500000000000 0.00000000000000 127.600 > 25 42 Te 0.25000000000000 0.62500000000000 0.00000000000000 127.600 > 25 43 Te 0.25000000000000 0.37500000000000 0.50000000000000 127.600 > 27 44 Te 0.25000000000000 0.87500000000000 0.50000000000000 127.600 > 27 45 Te 0.25000000000000 0.12500000000000 0.50000000000000 127.600 > 29 46 Te 0.25000000000000 0.62500000000000 0.50000000000000 127.600 > 29 47 Te 0.25000000000000 0.37500000000000 0.00000000000000 127.600 > 31 48 Te 0.25000000000000 0.87500000000000 0.00000000000000 127.600 > 31 49 O 0.01135634363555 0.00000000000000 0.15316235535005 15.999 > 49 50 O 0.01135634363555 0.50000000000000 0.15316235535005 15.999 > 49 51 O 0.74121672316959 0.00000000000000 0.05777762803905 15.999 > 51 52 O 0.74121672316959 0.50000000000000 0.05777762803905 15.999 > 51 53 O 0.79793798364826 0.00000000000000 0.48135887752121 15.999 > 53 54 O 0.79793798364826 0.50000000000000 0.48135887752121 15.999 > 53 55 O 0.20206201635174 0.00000000000000 0.51864112247879 15.999 > 55 56 O 0.20206201635174 0.50000000000000 0.51864112247879 15.999 > 55 57 O 0.38423885880418 0.35137317683067 0.95792642401322 15.999 > 57 58 O 0.38423885880418 0.85137317683067 0.95792642401322 15.999 > 57 59 O 0.22951833180816 0.39115850529522 0.34021689381243 15.999 > 59 60 O 0.22951833180816 0.89115850529522 0.34021689381243 15.999 > 59 61 O 0.61576114119582 0.35137317683067 0.04207357598678 15.999 > 61 62 O 0.61576114119582 0.85137317683067 0.04207357598678 15.999 > 61 63 O 0.66481582783637 0.09462526635595 0.84387857424658 15.999 > 63 64 O 0.66481582783637 0.59462526635595 0.84387857424658 15.999 > 63 65 O 0.61576114119582 0.14862682316933 0.04207357598678 15.999 > 65 66 O 0.61576114119582 0.64862682316933 0.04207357598678 15.999 > 65 67 O 0.58756576063930 0.09601843129187 0.45738730930006 15.999 > 67 68 O 0.58756576063930 0.59601843129187 0.45738730930006 15.999 > 67 69 O 0.33518417216363 0.09462526635595 0.15612142575342 15.999 > 69 70 O 0.33518417216363 0.59462526635595 0.15612142575342 15.999 > 69 71 O 0.77048166819184 0.39115850529522 0.65978310618757 15.999 > 71 72 O 0.77048166819184 0.89115850529522 0.65978310618757 15.999 > 71 73 O 0.41243423936070 0.09601843129187 0.54261269069994 15.999 > 73 74 O 0.41243423936070 0.59601843129187 0.54261269069994 15.999 > 73 75 O 0.41471718637385 0.00000000000000 0.33906115252943 15.999 > 75 76 O 0.41471718637385 0.50000000000000 0.33906115252943 15.999 > 75 77 O 0.22951833180816 0.10884149470478 0.34021689381243 15.999 > 77 78 O 0.22951833180816 0.60884149470478 0.34021689381243 15.999 > 77 79 O 0.58756576063930 0.40398156870813 0.45738730930006 15.999 > 79 80 O 0.58756576063930 0.90398156870813 0.45738730930006 15.999 > 79 81 O 0.25878327683041 0.00000000000000 0.94222237196095 15.999 > 81 82 O 0.25878327683041 0.50000000000000 0.94222237196095 15.999 > 81 83 O 0.33518417216363 0.40537473364405 0.15612142575342 15.999 > 83 84 O 0.33518417216363 0.90537473364405 0.15612142575342 15.999 > 83 85 O 0.58528281362615 0.00000000000000 0.66093884747057 15.999 > 85 86 O 0.58528281362615 0.50000000000000 0.66093884747057 15.999 > 85 87 O 0.77048166819184 0.10884149470478 0.65978310618757 15.999 > 87 88 O 0.77048166819184 0.60884149470478 0.65978310618757 15.999 > 87 89 O 0.41243423936070 0.40398156870813 0.54261269069994 15.999 > 89 90 O 0.41243423936070 0.90398156870813 0.54261269069994 15.999 > 89 91 O 0.66481582783637 0.40537473364405 0.84387857424658 15.999 > 91 92 O 0.66481582783637 0.90537473364405 0.84387857424658 15.999 > 91 93 O 0.98864365636445 0.00000000000000 0.84683764464995 15.999 > 93 94 O 0.98864365636445 0.50000000000000 0.84683764464995 15.999 > 93 95 O 0.38423885880418 0.14862682316933 0.95792642401322 15.999 > 95 96 O 0.38423885880418 0.64862682316933 0.95792642401322 15.999 > 95 97 O 0.51135634363555 0.25000000000000 0.15316235535005 15.999 > 49 98 O 0.51135634363555 0.75000000000000 0.15316235535005 15.999 > 49 99 O 0.24121672316959 0.25000000000000 0.05777762803905 15.999 > 51 100 O 0.24121672316959 0.75000000000000 0.05777762803905 15.999 > 51 101 O 0.29793798364826 0.25000000000000 0.48135887752121 15.999 > 53 102 O 0.29793798364826 0.75000000000000 0.48135887752121 15.999 > 53 103 O 0.70206201635174 0.25000000000000 0.51864112247879 15.999 > 55 104 O 0.70206201635174 0.75000000000000 0.51864112247879 15.999 > 55 105 O 0.88423885880418 0.10137317683067 0.95792642401322 15.999 > 57 106 O 0.88423885880418 0.60137317683067 0.95792642401322 15.999 > 57 107 O 0.72951833180816 0.14115850529522 0.34021689381243 15.999 > 59 108 O 0.72951833180816 0.64115850529522 0.34021689381243 15.999 > 59 109 O 0.11576114119582 0.10137317683067 0.04207357598678 15.999 > 61 110 O 0.11576114119582 0.60137317683067 0.04207357598678 15.999 > 61 111 O 0.16481582783637 0.34462526635595 0.84387857424658 15.999 > 63 112 O 0.16481582783637 0.84462526635595 0.84387857424658 15.999 > 63 113 O 0.11576114119582 0.39862682316933 0.04207357598678 15.999 > 65 114 O 0.11576114119582 0.89862682316933 0.04207357598678 15.999 > 65 115 O 0.08756576063930 0.34601843129187 0.45738730930006 15.999 > 67 116 O 0.08756576063930 0.84601843129187 0.45738730930006 15.999 > 67 117 O 0.83518417216363 0.34462526635595 0.15612142575342 15.999 > 69 118 O 0.83518417216363 0.84462526635595 0.15612142575342 15.999 > 69 119 O 0.27048166819184 0.14115850529522 0.65978310618757 15.999 > 71 120 O 0.27048166819184 0.64115850529522 0.65978310618757 15.999 > 71 121 O 0.91243423936070 0.34601843129187 0.54261269069994 15.999 > 73 122 O 0.91243423936070 0.84601843129187 0.54261269069994 15.999 > 73 123 O 0.91471718637385 0.25000000000000 0.33906115252943 15.999 > 75 124 O 0.91471718637385 0.75000000000000 0.33906115252943 15.999 > 75 125 O 0.72951833180816 0.35884149470478 0.34021689381243 15.999 > 77 126 O 0.72951833180816 0.85884149470478 0.34021689381243 15.999 > 77 127 O 0.08756576063930 0.15398156870813 0.45738730930006 15.999 > 79 128 O 0.08756576063930 0.65398156870813 0.45738730930006 15.999 > 79 129 O 0.75878327683041 0.25000000000000 0.94222237196095 15.999 > 81 130 O 0.75878327683041 0.75000000000000 0.94222237196095 15.999 > 81 131 O 0.83518417216363 0.15537473364405 0.15612142575342 15.999 > 83 132 O 0.83518417216363 0.65537473364405 0.15612142575342 15.999 > 83 133 O 0.08528281362615 0.25000000000000 0.66093884747057 15.999 > 85 134 O 0.08528281362615 0.75000000000000 0.66093884747057 15.999 > 85 135 O 0.27048166819184 0.35884149470478 0.65978310618757 15.999 > 87 136 O 0.27048166819184 0.85884149470478 0.65978310618757 15.999 > 87 137 O 0.91243423936070 0.15398156870813 0.54261269069994 15.999 > 89 138 O 0.91243423936070 0.65398156870813 0.54261269069994 15.999 > 89 139 O 0.16481582783637 0.15537473364405 0.84387857424658 15.999 > 91 140 O 0.16481582783637 0.65537473364405 0.84387857424658 15.999 > 91 141 O 0.48864365636445 0.25000000000000 0.84683764464995 15.999 > 93 142 O 0.48864365636445 0.75000000000000 0.84683764464995 15.999 > 93 143 O 0.88423885880418 0.39862682316933 0.95792642401322 15.999 > 95 144 O 0.88423885880418 0.89862682316933 0.95792642401322 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2903794 0.0000000 -0.2240970 0.0000000 4.8986457 0.0000000 -0.2240970 0.0000000 5.0336414 -------------------------- Born effective charges -------------------------- 1 K 1.4274571 -0.0000000 -0.0480656 -0.0000000 1.2895951 -0.0000000 -0.0685183 0.0000000 1.2477907 2 K 1.4274571 -0.0000000 -0.0480656 -0.0000000 1.2895951 -0.0000000 -0.0685183 0.0000000 1.2477907 3 K 1.2610550 -0.0000000 -0.1040640 -0.0000000 1.3199298 -0.0000000 -0.1604962 0.0000000 1.3168374 4 K 1.2610550 -0.0000000 -0.1040640 -0.0000000 1.3199298 -0.0000000 -0.1604962 0.0000000 1.3168374 5 Te 6.6616664 -0.0000000 2.6537797 -0.0000000 4.8782719 -0.0000000 0.4459767 0.0000000 4.6783625 6 Te 4.5666269 -0.0000000 -0.5052524 -0.0000000 5.0082539 -0.0000000 -1.6015535 0.0000000 6.6250683 7 Te 6.7641741 -0.0000000 0.7897862 -0.0000000 4.9840161 -0.0000000 0.7655006 0.0000000 5.0082987 8 Te 4.5666269 -0.0000000 -0.5052524 -0.0000000 5.0082539 -0.0000000 -1.6015535 0.0000000 6.6250683 9 Te 4.5850437 0.8403824 -1.7088117 0.5607586 6.6966117 -1.3542327 0.4015120 -1.0957251 6.2858789 10 Te 5.8411159 0.7787757 -0.1043408 0.7327466 6.5123818 -0.7796826 -0.3707333 0.1416795 3.9070280 11 Te 5.8411159 -0.7787757 -0.1043408 -0.7327466 6.5123818 0.7796826 -0.3707333 -0.1416795 3.9070280 12 Te 4.5850437 -0.8403824 -1.7088117 -0.5607586 6.6966117 1.3542327 0.4015120 1.0957251 6.2858789 13 O -2.0313475 -0.0000000 -0.4014880 -0.0000000 -1.2109412 -0.0000000 -0.2561217 0.0000000 -2.1792521 14 O -1.2075075 -0.0000000 0.4022707 -0.0000000 -3.6583605 -0.0000000 0.1064109 0.0000000 -1.5492262 15 O -1.3237608 -0.0000000 0.2655178 -0.0000000 -4.1315025 -0.0000000 0.1683167 0.0000000 -1.0612237 16 O -1.3237608 -0.0000000 0.2655178 -0.0000000 -4.1315025 -0.0000000 0.1683167 0.0000000 -1.0612237 17 O -2.7474625 0.9229880 -0.1737007 0.8905245 -1.9434922 -0.1403041 -0.3219720 -0.1136071 -1.8373805 18 O -1.4441523 -0.4442926 0.5851658 -0.5330478 -1.7942176 1.1503742 0.5124264 0.3284091 -2.3607751 19 O -2.7474625 -0.9229880 -0.1737007 -0.8905245 -1.9434922 0.1403041 -0.3219720 0.1136071 -1.8373805 20 O -1.5679406 0.6732838 0.6095079 0.9364862 -2.2261753 -1.3055724 0.9800524 -1.4661390 -2.8648931 21 O -2.7474625 0.9229880 -0.1737007 0.8905245 -1.9434922 -0.1403041 -0.3219720 -0.1136071 -1.8373805 22 O -3.0243499 -0.9840188 -0.0875871 -1.0319313 -1.9039105 0.2839608 -0.0790945 0.1001064 -1.1011008 23 O -1.5679406 -0.6732838 0.6095079 -0.9364862 -2.2261753 1.3055724 0.9800524 1.4661390 -2.8648931 24 O -1.4441523 0.4442926 0.5851658 0.5330478 -1.7942176 -1.1503742 0.5124264 -0.3284091 -2.3607751 25 O -3.0243499 0.9840188 -0.0875871 1.0319313 -1.9039105 -0.2839608 -0.0790945 -0.1001064 -1.1011008 26 O -2.2637925 -0.0000000 -1.3843207 -0.0000000 -1.0215209 -0.0000000 -1.0073795 0.0000000 -3.1079331 27 O -1.4441523 0.4442926 0.5851658 0.5330478 -1.7942176 -1.1503742 0.5124264 -0.3284091 -2.3607751 28 O -3.0243499 0.9840188 -0.0875871 1.0319313 -1.9039105 -0.2839608 -0.0790945 -0.1001064 -1.1011008 29 O -1.2075075 -0.0000000 0.4022707 -0.0000000 -3.6583605 -0.0000000 0.1064109 0.0000000 -1.5492262 30 O -1.5679406 0.6732838 0.6095079 0.9364862 -2.2261753 -1.3055724 0.9800524 -1.4661390 -2.8648931 31 O -2.2637925 -0.0000000 -1.3843207 -0.0000000 -1.0215209 -0.0000000 -1.0073795 0.0000000 -3.1079331 32 O -1.4441523 -0.4442926 0.5851658 -0.5330478 -1.7942176 1.1503742 0.5124264 0.3284091 -2.3607751 33 O -3.0243499 -0.9840188 -0.0875871 -1.0319313 -1.9039105 0.2839608 -0.0790945 0.1001064 -1.1011008 34 O -1.5679406 -0.6732838 0.6095079 -0.9364862 -2.2261753 1.3055724 0.9800524 1.4661390 -2.8648931 35 O -2.0313475 -0.0000000 -0.4014880 -0.0000000 -1.2109412 -0.0000000 -0.2561217 0.0000000 -2.1792521 36 O -2.7474625 -0.9229880 -0.1737007 -0.8905245 -1.9434922 0.1403041 -0.3219720 0.1136071 -1.8373805 ---------------------------------------------------------------------------- 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 (zx) -0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.51, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 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 0.974 ( 0.000 0.000 0.000) 0.000 0.990 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.219 ( 0.000 0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.327 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 13.324 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.770 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 0.000) 0.000 15.002 ( 0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 17.609 ( 0.000 0.000 0.000) 0.000 18.026 ( 0.000 0.000 0.000) 0.000 18.081 ( 0.000 0.000 0.000) 0.000 18.152 ( 0.000 0.000 0.000) 0.000 18.201 ( 0.000 0.000 0.000) 0.000 18.351 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000 19.007 ( 0.000 0.000 0.000) 0.000 19.036 ( 0.000 0.000 0.000) 0.000 19.455 ( 0.000 0.000 0.000) 0.000 19.580 ( 0.000 0.000 0.000) 0.000 19.834 ( 0.000 0.000 0.000) 0.000 20.208 ( 0.000 0.000 0.000) 0.000 20.808 ( 0.000 0.000 0.000) 0.000 20.877 ( 0.000 0.000 0.000) 0.000 21.069 ( 0.000 0.000 0.000) 0.000 21.368 ( 0.000 0.000 0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 22.445 ( 0.000 0.000 0.000) 0.000 22.531 ( 0.000 0.000 0.000) 0.000 23.401 ( 0.000 0.000 0.000) 0.000 23.480 ( 0.000 0.000 0.000) 0.000 24.341 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 10.807 -25.409 11.426) 29.882 0.770 ( 20.768 -27.410 6.662) 35.028 1.029 ( -0.133 -4.656 0.561) 4.691 1.179 ( 13.818 -43.051 -0.752) 45.221 1.398 ( -7.603 -22.193 -7.710) 24.694 1.611 ( 2.685 -4.655 1.573) 5.600 1.857 ( -1.782 -4.939 -0.611) 5.286 1.919 ( 1.728 3.110 -1.296) 3.787 1.981 ( 9.004 -10.649 1.400) 14.015 2.073 ( 10.307 -3.649 6.301) 12.620 2.174 ( 0.337 -2.307 -1.439) 2.740 2.336 ( -0.286 -0.831 -0.522) 1.022 2.461 ( -5.543 -7.241 0.884) 9.161 2.708 ( -2.267 0.408 0.582) 2.376 2.772 ( -0.548 6.266 -4.262) 7.598 2.934 ( -1.823 10.100 0.062) 10.264 2.979 ( -1.738 4.682 -3.320) 5.997 3.096 ( -3.617 6.088 4.192) 8.229 3.249 ( -2.360 -4.944 4.741) 7.245 3.431 ( -4.169 -0.356 -7.566) 8.645 3.439 ( -3.256 -3.334 0.759) 4.721 3.461 ( 0.282 2.559 -3.541) 4.378 3.624 ( -0.113 -11.957 -1.341) 12.032 3.789 ( 5.761 8.680 9.665) 14.211 4.075 ( 2.578 2.512 -6.290) 7.247 4.164 ( 3.607 0.009 4.581) 5.831 4.287 ( -2.020 2.991 -0.534) 3.649 4.315 ( -0.345 -0.597 0.631) 0.935 4.430 ( 7.815 -1.121 -3.054) 8.465 4.626 ( -0.509 -5.004 4.026) 6.443 4.796 ( -5.818 -0.059 2.517) 6.339 5.051 ( -7.033 0.675 9.822) 12.099 5.255 ( 5.654 3.749 -0.001) 6.784 5.453 ( 0.295 4.186 -2.502) 4.886 5.620 ( -0.059 4.221 0.744) 4.287 5.710 ( -2.780 2.604 0.737) 3.879 5.803 ( -4.414 8.175 0.393) 9.299 6.024 ( 1.171 3.576 -0.416) 3.786 6.132 ( -0.392 -5.085 0.400) 5.116 6.259 ( 3.122 -5.469 -1.804) 6.551 6.444 ( -2.026 3.738 0.919) 4.349 6.497 ( 6.340 11.606 -0.330) 13.229 6.667 ( -1.489 1.978 0.299) 2.494 6.790 ( 7.728 -13.520 -0.818) 15.595 6.986 ( -0.929 0.651 1.879) 2.195 7.170 ( 4.474 -0.942 -3.184) 5.571 7.199 ( 2.867 -7.293 1.883) 8.059 7.602 ( -1.981 -3.793 -1.117) 4.422 7.770 ( 5.216 -2.879 2.102) 6.318 7.840 ( -1.564 4.749 -0.966) 5.092 8.038 ( 0.288 -5.612 -3.678) 6.716 8.148 ( 6.295 -2.490 -1.264) 6.887 8.171 ( -3.685 -0.249 3.445) 5.050 8.267 ( 5.441 -4.807 0.750) 7.299 8.799 ( 1.066 2.014 -4.703) 5.226 8.994 ( -3.668 4.484 6.150) 8.449 9.108 ( -6.829 -1.636 0.617) 7.050 9.535 ( -7.847 8.353 0.912) 11.497 9.587 ( -0.102 1.091 1.893) 2.187 9.678 ( 6.374 9.144 -1.683) 11.273 9.764 ( 8.463 9.059 -3.621) 12.916 10.009 ( 4.400 -6.178 2.699) 8.050 10.129 ( 3.238 -7.362 -1.939) 8.273 10.727 ( -1.111 -0.659 0.816) 1.528 10.853 ( -9.862 -5.824 -6.017) 12.937 11.247 ( 18.980 10.350 2.518) 21.765 11.261 ( 5.488 -1.652 -1.850) 6.022 11.510 ( 0.099 0.954 0.163) 0.972 11.727 ( -0.730 0.092 -0.550) 0.919 12.006 ( -1.444 0.930 0.181) 1.727 12.234 ( -0.279 0.684 -0.419) 0.849 12.343 ( 0.557 -1.615 0.353) 1.745 12.672 ( 0.497 0.698 -0.280) 0.901 12.955 ( -1.008 -4.911 -0.365) 5.027 13.233 ( -19.433 0.537 9.043) 21.440 13.298 ( -0.638 1.657 -12.718) 12.841 13.432 ( -4.805 -0.029 3.879) 6.175 13.556 ( -8.776 -4.983 -1.364) 10.184 13.697 ( -6.181 7.223 1.750) 9.666 13.829 ( -4.622 0.641 0.862) 4.745 13.866 ( 4.015 3.396 -6.871) 8.653 14.260 ( -5.668 -0.757 -8.579) 10.310 14.426 ( 2.524 -5.558 -13.019) 14.379 14.920 ( 0.691 10.335 1.661) 10.490 16.970 ( 0.498 -5.472 0.461) 5.514 17.580 ( 0.278 3.818 2.558) 4.604 18.058 ( -4.115 -2.533 3.197) 5.794 18.134 ( -2.864 -6.181 -4.769) 8.316 18.201 ( -10.493 18.581 -1.380) 21.384 18.279 ( 6.221 -3.689 -9.381) 11.845 18.358 ( -2.395 -1.335 1.567) 3.158 18.436 ( -0.639 -0.279 16.963) 16.977 19.036 ( 0.784 -0.124 -1.161) 1.407 19.393 ( 5.691 -7.583 1.067) 9.541 19.623 ( 5.371 -3.782 4.539) 7.985 19.796 ( 2.031 1.372 0.677) 2.543 20.157 ( -5.208 0.065 0.310) 5.218 20.652 ( 0.873 11.080 -1.642) 11.235 20.729 ( -1.791 7.336 0.076) 7.552 21.095 ( -1.693 -1.967 -6.395) 6.901 21.465 ( 0.588 -11.840 -0.764) 11.879 21.912 ( -10.093 -18.225 -37.270) 42.697 22.393 ( 1.739 -0.379 -0.648) 1.894 22.450 ( 1.037 -0.076 -0.770) 1.294 22.759 ( 14.979 15.756 29.332) 36.510 23.415 ( 1.366 -0.634 0.436) 1.568 23.493 ( 0.690 -1.097 -0.535) 1.401 24.334 ( -1.420 1.585 4.958) 5.396 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.656 -5.700 -0.615) 5.771 1.136 ( 8.020 -21.316 8.151) 24.189 1.327 ( 4.124 -14.916 2.371) 15.656 1.426 ( 3.020 -9.944 4.482) 11.318 1.661 ( -2.903 -1.987 -1.245) 3.731 1.820 ( -3.151 -0.147 -1.287) 3.406 1.866 ( 1.143 5.166 0.395) 5.305 1.990 ( 4.486 -6.541 0.601) 7.954 2.132 ( -1.144 -1.936 -1.503) 2.705 2.220 ( 1.447 -9.208 -1.255) 9.405 2.349 ( -2.050 -1.259 0.678) 2.499 2.438 ( 5.269 -11.822 4.112) 13.581 2.594 ( -5.393 7.319 -3.152) 9.622 2.627 ( 4.899 5.177 -2.905) 7.697 2.703 ( 7.459 -13.268 3.499) 15.618 2.760 ( 3.035 2.031 0.371) 3.671 3.000 ( 3.758 -4.410 -0.332) 5.804 3.037 ( -5.046 -4.424 1.489) 6.874 3.297 ( -4.273 6.368 -5.270) 9.305 3.368 ( -1.097 -5.416 1.981) 5.871 3.388 ( 0.748 -6.227 -3.827) 7.347 3.526 ( -2.652 -9.108 0.095) 9.486 3.672 ( 5.662 3.721 6.955) 9.709 3.984 ( 2.019 -8.534 -1.908) 8.975 4.046 ( 3.959 -3.832 1.109) 5.620 4.194 ( -0.533 5.244 -3.651) 6.412 4.216 ( 4.561 -0.014 0.783) 4.628 4.339 ( 1.986 -1.660 -2.020) 3.283 4.502 ( 7.011 1.058 -2.736) 7.600 4.584 ( -3.592 7.489 1.427) 8.428 4.756 ( -8.723 -4.231 -0.881) 9.734 5.036 ( -2.879 -0.448 6.266) 6.910 5.269 ( -1.058 1.297 -2.394) 2.922 5.320 ( 3.104 8.703 0.185) 9.242 5.505 ( -1.608 4.791 2.707) 5.733 5.586 ( -5.583 6.213 1.288) 8.452 5.784 ( 1.944 -4.260 0.130) 4.685 5.967 ( -0.102 3.089 0.311) 3.106 6.211 ( -1.099 0.603 1.825) 2.214 6.252 ( -0.856 8.691 -1.499) 8.860 6.346 ( 1.064 0.379 -4.086) 4.240 6.467 ( 5.590 0.173 0.499) 5.615 6.592 ( 1.042 4.507 2.342) 5.185 6.950 ( 3.809 -2.796 0.525) 4.754 7.145 ( -2.798 -14.956 1.535) 15.293 7.214 ( 7.040 0.602 -2.672) 7.555 7.408 ( -0.463 -11.510 0.094) 11.520 7.682 ( -1.509 -7.894 -2.614) 8.451 7.754 ( -0.384 2.497 -0.538) 2.583 7.903 ( 2.790 -1.592 5.246) 6.151 8.048 ( 3.136 6.231 -0.000) 6.975 8.115 ( 0.071 -4.195 -3.550) 5.496 8.247 ( 2.365 -2.089 -0.105) 3.157 8.473 ( 4.397 -10.627 0.055) 11.501 8.678 ( 2.543 12.952 5.599) 14.338 9.017 ( -7.912 -7.105 -0.620) 10.652 9.084 ( -2.531 -4.311 -2.455) 5.569 9.309 ( -6.476 9.787 4.740) 12.657 9.582 ( 7.884 7.423 -0.176) 10.830 9.583 ( 1.366 2.687 -2.045) 3.642 9.702 ( 2.775 0.975 -1.958) 3.533 10.107 ( -0.056 -0.785 1.040) 1.304 10.215 ( 2.010 -0.387 0.567) 2.124 10.726 ( 2.477 3.452 -1.969) 4.682 10.879 ( -3.165 -8.109 -1.122) 8.777 11.250 ( 4.031 3.433 2.877) 6.026 11.353 ( 9.741 0.647 -2.095) 9.985 11.484 ( 1.356 2.637 -0.393) 2.991 11.719 ( -0.251 -0.385 -1.650) 1.713 11.994 ( -2.138 -2.654 0.256) 3.417 12.228 ( 1.239 -0.152 -0.888) 1.531 12.405 ( 1.003 -4.568 0.731) 4.733 12.642 ( -0.467 3.348 -0.199) 3.386 13.001 ( -7.135 1.210 -0.695) 7.271 13.047 ( -5.313 5.561 3.506) 8.453 13.199 ( 0.593 5.832 -1.751) 6.118 13.346 ( -4.575 5.147 0.970) 6.955 13.446 ( -7.844 5.853 0.189) 9.789 13.577 ( -7.456 -0.821 4.877) 8.947 13.736 ( -1.891 3.202 -3.749) 5.281 13.836 ( 0.810 2.072 -4.551) 5.065 14.176 ( -7.985 1.164 -3.117) 8.651 14.491 ( -1.109 -4.394 -5.788) 7.351 14.743 ( 3.060 11.305 2.743) 12.028 17.104 ( 0.436 -8.478 0.990) 8.547 17.517 ( -0.832 3.918 4.568) 6.076 17.783 ( -5.286 16.053 -4.811) 17.572 18.027 ( -4.556 1.672 -2.704) 5.556 18.234 ( -1.086 -7.330 -1.986) 7.671 18.336 ( -0.138 -1.876 -1.073) 2.165 18.461 ( 2.247 -8.921 5.280) 10.607 18.555 ( 8.638 -4.287 0.330) 9.649 19.045 ( 2.800 0.507 -0.926) 2.993 19.465 ( -5.688 -3.814 -0.306) 6.855 19.616 ( -1.993 6.387 0.409) 6.703 19.922 ( 5.922 -2.955 2.114) 6.948 20.148 ( 3.988 -1.779 3.872) 5.836 20.432 ( -3.933 11.358 -0.512) 12.030 20.555 ( -2.586 9.373 0.598) 9.742 21.036 ( -5.487 0.964 -8.877) 10.480 21.732 ( 1.912 -15.738 -0.359) 15.858 22.011 ( -4.229 -9.384 -6.790) 12.331 22.405 ( 1.488 0.959 -0.626) 1.878 22.461 ( 1.785 0.353 -0.255) 1.838 22.736 ( 6.988 6.508 7.917) 12.404 23.449 ( 1.985 -0.993 0.843) 2.374 23.522 ( 0.812 -1.373 -1.024) 1.895 24.305 ( -1.248 1.352 1.936) 2.671 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -1.654 -2.719 -0.703) 3.259 1.336 ( -4.919 -4.890 0.965) 7.003 1.509 ( -3.608 4.318 0.613) 5.660 1.620 ( 3.215 -7.420 5.056) 9.537 1.651 ( -2.404 -1.151 0.905) 2.814 1.792 ( 0.027 -0.737 -0.933) 1.189 1.862 ( 5.576 -1.509 3.460) 6.734 2.066 ( 3.662 -2.040 0.194) 4.196 2.102 ( -4.095 1.291 -0.435) 4.316 2.229 ( -2.510 1.468 -1.774) 3.406 2.312 ( -2.587 -0.776 -0.569) 2.760 2.427 ( -0.664 -0.384 -0.713) 1.048 2.470 ( 1.599 5.138 -1.319) 5.541 2.691 ( 0.462 -2.406 1.668) 2.964 2.772 ( 2.451 1.781 -2.125) 3.701 2.908 ( 0.323 4.170 9.633) 10.502 3.066 ( -7.295 -0.738 -3.370) 8.070 3.228 ( 1.742 -4.871 -1.005) 5.270 3.245 ( 10.733 -6.779 -1.078) 12.741 3.326 ( -7.479 -3.215 -1.331) 8.249 3.645 ( 8.083 -7.892 -1.533) 11.400 3.703 ( -7.170 -17.996 1.545) 19.433 3.855 ( 18.448 -7.151 2.689) 19.968 4.024 ( 3.161 0.599 4.860) 5.828 4.086 ( 2.160 4.534 -6.642) 8.327 4.181 ( 3.254 0.856 0.440) 3.394 4.286 ( -6.314 -5.587 -0.795) 8.469 4.360 ( -2.618 6.674 -5.097) 8.796 4.412 ( 3.286 -4.661 -3.588) 6.738 4.614 ( 6.430 -1.860 2.579) 7.174 4.719 ( -4.789 -0.591 0.677) 4.873 5.027 ( -1.291 0.814 2.797) 3.186 5.103 ( -5.978 5.952 -1.255) 8.529 5.258 ( 0.328 5.291 -0.057) 5.302 5.434 ( -3.485 6.711 1.002) 7.628 5.494 ( 0.040 -1.692 2.137) 2.726 5.899 ( -2.252 -6.186 0.261) 6.588 5.930 ( 0.955 -0.281 0.407) 1.075 6.038 ( -0.207 7.853 -0.799) 7.896 6.232 ( 2.320 4.116 0.619) 4.765 6.340 ( 1.477 -2.098 -2.999) 3.947 6.500 ( -0.046 2.215 1.631) 2.751 6.567 ( 4.502 1.127 0.911) 4.730 7.043 ( 1.944 -3.334 -0.505) 3.893 7.227 ( 5.366 2.408 -0.582) 5.910 7.403 ( -6.153 -15.519 1.318) 16.747 7.503 ( -3.856 -3.106 0.666) 4.996 7.676 ( 1.493 8.792 -2.112) 9.165 7.771 ( 1.400 -5.552 0.064) 5.726 7.931 ( -1.892 -8.311 -0.449) 8.535 8.138 ( 7.454 -1.775 -0.677) 7.692 8.151 ( 2.633 1.927 -0.745) 3.346 8.276 ( 1.948 1.234 -1.244) 2.620 8.502 ( -1.539 8.252 3.413) 9.061 8.679 ( 1.127 -7.278 0.984) 7.430 8.962 ( -3.354 2.393 2.157) 4.651 9.073 ( -5.495 0.186 -1.337) 5.659 9.239 ( 0.211 -0.934 3.997) 4.110 9.485 ( 1.467 5.218 -5.643) 7.824 9.598 ( 4.767 2.117 1.497) 5.426 9.828 ( 1.852 -11.472 -0.158) 11.622 10.072 ( 0.669 2.693 -1.258) 3.047 10.220 ( -1.753 -0.934 2.057) 2.859 10.609 ( 0.896 11.606 -1.704) 11.765 11.040 ( 2.310 -9.499 0.174) 9.777 11.252 ( 0.742 -0.513 2.005) 2.198 11.360 ( -0.617 3.130 -0.183) 3.196 11.460 ( 6.561 5.356 -0.614) 8.492 11.733 ( 1.290 -1.311 -1.871) 2.623 12.084 ( -1.733 -10.323 -0.306) 10.472 12.277 ( 5.267 -2.519 -1.725) 6.088 12.509 ( 0.463 -3.929 1.289) 4.161 12.538 ( -0.186 6.193 0.114) 6.197 12.776 ( -8.858 13.998 1.202) 16.609 12.827 ( -6.557 9.575 0.438) 11.613 13.177 ( -1.076 -1.591 -0.981) 2.157 13.253 ( -2.153 2.852 0.584) 3.621 13.355 ( -0.603 0.252 1.186) 1.354 13.502 ( -7.565 0.768 4.940) 9.068 13.683 ( 2.804 3.813 -5.704) 7.412 13.801 ( -0.740 -0.521 -0.583) 1.077 14.035 ( -7.429 4.308 -1.819) 8.779 14.512 ( -2.346 -2.146 -3.129) 4.461 14.652 ( 3.879 4.693 2.212) 6.477 17.232 ( -0.017 -4.788 -0.305) 4.798 17.444 ( -6.631 4.353 7.941) 11.223 17.594 ( 6.017 1.352 -6.823) 9.197 17.906 ( -3.331 6.131 -3.720) 7.907 18.284 ( -3.415 -1.619 1.214) 3.970 18.439 ( 2.134 -8.361 0.746) 8.661 18.637 ( 1.948 -5.324 0.390) 5.683 18.723 ( 8.297 -4.389 -1.015) 9.441 19.080 ( 4.188 -1.187 0.289) 4.363 19.450 ( -5.872 -1.821 -0.842) 6.205 19.469 ( -3.886 6.109 1.130) 7.329 19.904 ( -3.023 4.147 -0.628) 5.169 20.218 ( -5.240 3.680 -0.216) 6.407 20.292 ( 12.117 5.086 0.745) 13.162 20.426 ( -1.009 0.817 6.194) 6.329 20.916 ( -6.816 1.994 -7.663) 10.447 21.981 ( 1.801 -10.471 -2.676) 10.956 22.089 ( -2.925 -4.388 2.757) 5.951 22.388 ( 0.539 1.577 -0.590) 1.768 22.467 ( 1.836 1.190 0.824) 2.338 22.730 ( 3.381 1.962 0.575) 3.951 23.487 ( 1.530 -0.802 0.952) 1.972 23.543 ( 0.368 -0.797 -1.117) 1.421 24.281 ( -0.687 0.715 0.749) 1.243 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 -0.000 0.000) 0.000 1.360 ( 0.000 0.000 -0.000) 0.000 1.418 ( 0.000 -0.000 0.000) 0.000 1.625 ( 0.000 -0.000 0.000) 0.000 1.685 ( 0.000 -0.000 -0.000) 0.000 1.804 ( 0.000 -0.000 0.000) 0.000 1.913 ( 0.000 -0.000 0.000) 0.000 2.036 ( 0.000 -0.000 -0.000) 0.000 2.124 ( 0.000 -0.000 -0.000) 0.000 2.204 ( 0.000 -0.000 0.000) 0.000 2.374 ( 0.000 -0.000 0.000) 0.000 2.388 ( 0.000 0.000 -0.000) 0.000 2.592 ( 0.000 -0.000 0.000) 0.000 2.637 ( -0.000 0.000 -0.000) 0.000 2.738 ( 0.000 0.000 -0.000) 0.000 2.813 ( -0.000 0.000 0.000) 0.000 3.018 ( 0.000 -0.000 0.000) 0.000 3.200 ( 0.000 0.000 -0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.466 ( -0.000 -0.000 0.000) 0.000 3.750 ( -0.000 -0.000 0.000) 0.000 3.831 ( 0.000 -0.000 -0.000) 0.000 4.033 ( 0.000 -0.000 0.000) 0.000 4.051 ( -0.000 -0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 -0.000 0.000) 0.000 4.209 ( -0.000 -0.000 -0.000) 0.000 4.312 ( -0.000 -0.000 0.000) 0.000 4.520 ( 0.000 -0.000 0.000) 0.000 4.598 ( -0.000 0.000 0.000) 0.000 4.752 ( 0.000 -0.000 0.000) 0.000 5.005 ( -0.000 -0.000 0.000) 0.000 5.014 ( -0.000 -0.000 0.000) 0.000 5.220 ( 0.000 -0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 -0.000 0.000) 0.000 5.902 ( 0.000 -0.000 0.000) 0.000 5.952 ( 0.000 -0.000 -0.000) 0.000 6.023 ( 0.000 0.000 -0.000) 0.000 6.178 ( 0.000 -0.000 0.000) 0.000 6.420 ( -0.000 0.000 0.000) 0.000 6.429 ( 0.000 -0.000 0.000) 0.000 6.595 ( 0.000 -0.000 0.000) 0.000 7.079 ( 0.000 -0.000 0.000) 0.000 7.231 ( 0.000 -0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.527 ( -0.000 -0.000 -0.000) 0.000 7.576 ( -0.000 -0.000 0.000) 0.000 7.903 ( 0.000 -0.000 0.000) 0.000 8.035 ( -0.000 -0.000 -0.000) 0.000 8.097 ( 0.000 0.000 -0.000) 0.000 8.214 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 -0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 -0.000 0.000) 0.000 8.960 ( 0.000 0.000 -0.000) 0.000 9.049 ( 0.000 -0.000 0.000) 0.000 9.251 ( 0.000 -0.000 0.000) 0.000 9.421 ( 0.000 -0.000 0.000) 0.000 9.610 ( 0.000 -0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 -0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 -0.000 0.000) 0.000 11.174 ( 0.000 -0.000 0.000) 0.000 11.280 ( 0.000 -0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 -0.000 0.000) 0.000 11.754 ( 0.000 -0.000 -0.000) 0.000 12.253 ( 0.000 -0.000 0.000) 0.000 12.339 ( 0.000 -0.000 0.000) 0.000 12.443 ( -0.000 -0.000 -0.000) 0.000 12.491 ( 0.000 -0.000 0.000) 0.000 12.610 ( 0.000 -0.000 0.000) 0.000 12.691 ( 0.000 -0.000 0.000) 0.000 13.190 ( 0.000 -0.000 -0.000) 0.000 13.201 ( -0.000 -0.000 0.000) 0.000 13.356 ( 0.000 0.000 0.000) 0.000 13.487 ( 0.000 -0.000 0.000) 0.000 13.629 ( 0.000 -0.000 -0.000) 0.000 13.827 ( 0.000 -0.000 0.000) 0.000 13.931 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 -0.000 -0.000) 0.000 14.640 ( 0.000 -0.000 0.000) 0.000 17.268 ( 0.000 -0.000 0.000) 0.000 17.369 ( 0.000 -0.000 0.000) 0.000 17.679 ( 0.000 0.000 -0.000) 0.000 17.775 ( 0.000 -0.000 -0.000) 0.000 18.279 ( 0.000 -0.000 0.000) 0.000 18.563 ( 0.000 -0.000 0.000) 0.000 18.665 ( 0.000 -0.000 0.000) 0.000 18.811 ( 0.000 -0.000 0.000) 0.000 19.138 ( 0.000 -0.000 0.000) 0.000 19.387 ( 0.000 -0.000 0.000) 0.000 19.426 ( 0.000 -0.000 0.000) 0.000 19.824 ( 0.000 0.000 -0.000) 0.000 20.157 ( 0.000 -0.000 0.000) 0.000 20.274 ( 0.000 0.000 -0.000) 0.000 20.484 ( 0.000 -0.000 0.000) 0.000 20.833 ( 0.000 -0.000 0.000) 0.000 22.082 ( 0.000 -0.000 0.000) 0.000 22.115 ( 0.000 -0.000 -0.000) 0.000 22.373 ( 0.000 -0.000 -0.000) 0.000 22.466 ( 0.000 -0.000 0.000) 0.000 22.732 ( 0.000 -0.000 0.000) 0.000 23.505 ( 0.000 -0.000 0.000) 0.000 23.550 ( -0.000 -0.000 -0.000) 0.000 24.273 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 20.840 -0.000 18.113) 27.611 0.696 ( 25.351 -0.000 2.774) 25.503 0.962 ( 0.443 -0.000 2.045) 2.093 1.040 ( 6.916 -0.000 -3.120) 7.587 1.200 ( 52.459 -0.000 9.985) 53.401 1.649 ( 5.095 -0.000 -2.163) 5.535 1.829 ( 10.990 -0.000 1.095) 11.044 1.947 ( 7.574 -0.000 -0.872) 7.624 2.022 ( 3.749 -0.000 1.723) 4.126 2.127 ( -1.323 0.000 -1.125) 1.737 2.243 ( -3.143 0.000 0.797) 3.243 2.273 ( 11.954 -0.000 4.349) 12.720 2.327 ( -0.284 0.000 -1.384) 1.413 2.682 ( -3.818 0.000 0.907) 3.924 2.844 ( 0.619 -0.000 -3.859) 3.908 2.888 ( -9.760 0.000 -0.904) 9.802 3.053 ( -11.416 0.000 5.540) 12.689 3.133 ( -8.579 0.000 -1.084) 8.647 3.143 ( -7.093 0.000 0.120) 7.094 3.258 ( -1.913 0.000 -0.446) 1.964 3.424 ( -3.759 0.000 -1.135) 3.927 3.455 ( 4.756 -0.000 -8.840) 10.038 3.580 ( 5.267 -0.000 0.569) 5.298 3.997 ( -1.368 0.000 6.145) 6.295 4.146 ( 0.061 -0.000 6.038) 6.038 4.156 ( 12.187 -0.000 -4.732) 13.073 4.307 ( 0.792 -0.000 2.638) 2.754 4.318 ( 1.015 -0.000 -3.598) 3.738 4.476 ( 8.687 -0.000 -3.400) 9.328 4.586 ( -4.275 0.000 6.447) 7.735 4.752 ( -6.892 0.000 1.054) 6.972 5.008 ( -13.523 0.000 20.774) 24.788 5.294 ( -3.733 0.000 -0.052) 3.733 5.549 ( 7.500 -0.000 -1.096) 7.579 5.636 ( -8.175 0.000 -0.752) 8.210 5.664 ( 1.913 -0.000 -1.961) 2.740 5.848 ( -3.036 0.000 1.677) 3.469 6.110 ( -1.700 0.000 -2.566) 3.078 6.128 ( -2.073 0.000 -3.169) 3.787 6.225 ( 1.847 -0.000 3.264) 3.750 6.285 ( -2.408 0.000 -0.305) 2.427 6.589 ( -6.171 0.000 -0.720) 6.213 6.788 ( 13.714 -0.000 -0.652) 13.730 6.816 ( -0.046 0.000 -0.598) 0.600 7.086 ( 2.068 -0.000 2.144) 2.979 7.108 ( 6.988 -0.000 -2.276) 7.349 7.231 ( 3.902 -0.000 1.132) 4.063 7.529 ( -2.424 0.000 -0.959) 2.607 7.815 ( -10.571 0.000 0.710) 10.595 7.831 ( 11.229 -0.000 1.514) 11.330 8.091 ( 7.328 -0.000 -0.992) 7.395 8.092 ( -7.140 0.000 -0.351) 7.148 8.266 ( 3.549 -0.000 1.289) 3.776 8.310 ( 6.214 -0.000 0.973) 6.290 8.621 ( 8.158 -0.000 -19.497) 21.135 9.009 ( -9.801 0.000 1.618) 9.934 9.165 ( -4.699 0.000 14.176) 14.934 9.484 ( -10.830 0.000 -0.873) 10.865 9.588 ( -3.276 0.000 2.735) 4.267 9.816 ( -3.712 0.000 2.237) 4.334 9.976 ( 12.200 -0.000 0.209) 12.202 10.039 ( 8.806 -0.000 -5.769) 10.527 10.169 ( 9.660 -0.000 -6.875) 11.857 10.587 ( -1.595 0.000 0.102) 1.598 10.768 ( 2.136 -0.000 -4.197) 4.709 11.269 ( 5.238 -0.000 -0.528) 5.264 11.507 ( -1.289 0.000 0.817) 1.527 11.702 ( -2.070 0.000 -3.245) 3.849 11.933 ( -0.140 0.000 -9.805) 9.806 12.050 ( 3.813 -0.000 -4.473) 5.878 12.184 ( -0.923 0.000 -2.034) 2.234 12.274 ( 1.553 -0.000 2.298) 2.773 12.360 ( 3.103 -0.000 -4.376) 5.365 12.693 ( 0.743 -0.000 1.327) 1.521 12.890 ( -2.337 0.000 0.045) 2.337 13.278 ( -3.232 0.000 -1.955) 3.777 13.437 ( -1.049 0.000 5.301) 5.404 13.557 ( -0.373 0.000 -0.719) 0.810 13.674 ( -11.179 0.000 -0.685) 11.200 13.727 ( -11.616 0.000 0.557) 11.630 13.922 ( 3.113 -0.000 -4.442) 5.425 14.150 ( -0.080 0.000 -19.849) 19.849 14.417 ( 4.875 -0.000 -1.780) 5.190 15.015 ( -1.540 0.000 0.289) 1.567 16.930 ( 0.951 -0.000 0.369) 1.020 17.630 ( 1.650 -0.000 0.989) 1.924 18.024 ( 1.228 -0.000 -5.175) 5.319 18.100 ( 0.728 -0.000 4.201) 4.264 18.102 ( -11.463 0.000 5.489) 12.709 18.178 ( -20.643 0.000 5.388) 21.335 18.414 ( 6.334 -0.000 -0.693) 6.371 18.513 ( 4.807 -0.000 7.371) 8.800 19.019 ( 1.133 -0.000 0.336) 1.182 19.437 ( -2.036 0.000 0.309) 2.059 19.750 ( 24.003 -0.000 11.358) 26.555 19.807 ( -2.584 0.000 -0.234) 2.595 20.042 ( -9.364 0.000 -0.666) 9.387 20.775 ( -3.160 0.000 0.025) 3.160 20.834 ( -3.974 0.000 -0.041) 3.974 21.041 ( 1.431 -0.000 -11.378) 11.467 21.348 ( 2.472 -0.000 -5.225) 5.781 21.540 ( 17.827 -0.000 -34.508) 38.841 22.414 ( 3.254 -0.000 -0.026) 3.254 22.459 ( 1.256 -0.000 0.029) 1.256 23.013 ( -13.325 0.000 9.023) 16.092 23.490 ( 1.846 -0.000 4.395) 4.767 23.501 ( 4.886 -0.000 0.581) 4.921 24.354 ( -5.335 0.000 10.824) 12.068 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 12.678 -13.949 11.638) 22.153 0.989 ( -1.333 -7.348 -1.100) 7.549 1.094 ( 1.294 -13.919 2.514) 14.203 1.418 ( 22.768 -18.885 2.937) 29.726 1.643 ( 1.069 -0.879 -1.029) 1.725 1.817 ( 24.440 -10.506 1.122) 26.626 1.918 ( 7.896 4.085 0.417) 8.900 2.015 ( 6.896 2.879 0.385) 7.483 2.083 ( -1.046 -3.563 -2.251) 4.342 2.165 ( 4.198 -6.380 2.599) 8.068 2.276 ( 3.176 -5.622 1.156) 6.559 2.322 ( -1.498 -0.955 -1.273) 2.186 2.428 ( -2.372 -6.400 2.475) 7.261 2.631 ( -5.809 2.846 0.040) 6.469 2.763 ( 5.603 4.635 0.055) 7.272 2.849 ( -2.258 5.093 -1.697) 5.824 2.911 ( -2.920 -0.868 -2.680) 4.057 3.004 ( -6.800 -1.762 5.941) 9.200 3.177 ( -6.481 -6.246 -0.207) 9.003 3.302 ( 3.028 -1.599 -4.570) 5.710 3.373 ( -2.960 -0.141 -0.422) 2.993 3.487 ( 4.047 -0.511 -4.007) 5.719 3.696 ( 6.486 -9.411 -2.685) 11.741 3.902 ( 1.377 6.683 8.303) 10.747 4.196 ( -2.186 -1.140 2.216) 3.315 4.204 ( 9.007 5.012 -1.123) 10.368 4.319 ( 6.064 2.503 -1.024) 6.640 4.349 ( 3.395 -0.355 -1.531) 3.741 4.535 ( -2.118 1.875 -6.327) 6.930 4.579 ( -4.766 -5.340 0.062) 7.158 4.669 ( 0.091 2.294 2.416) 3.332 4.987 ( -6.726 -3.265 13.464) 15.401 5.237 ( -5.244 0.637 -2.294) 5.759 5.476 ( -1.925 5.788 -0.918) 6.168 5.571 ( -7.716 4.889 -1.103) 9.201 5.635 ( 2.286 5.420 1.579) 6.090 5.810 ( 2.655 2.377 0.280) 3.575 5.970 ( -1.396 0.485 -1.222) 1.917 6.184 ( -0.940 -3.873 -4.161) 5.762 6.246 ( -1.739 2.104 1.589) 3.159 6.384 ( -3.034 -4.188 2.525) 5.755 6.548 ( 3.893 -1.166 -0.567) 4.103 6.766 ( 7.379 8.084 0.291) 10.949 6.869 ( -0.916 -5.436 -3.237) 6.393 7.044 ( 3.762 5.262 2.394) 6.897 7.225 ( 5.337 -3.361 -3.078) 7.018 7.324 ( 4.381 -5.018 2.478) 7.107 7.547 ( -2.551 -4.667 -0.877) 5.390 7.735 ( -6.799 -1.622 0.813) 7.037 7.924 ( 2.464 0.649 1.510) 2.962 8.023 ( 3.909 -1.878 -0.561) 4.372 8.210 ( 6.882 1.338 -0.514) 7.030 8.255 ( 4.394 1.625 -0.594) 4.722 8.412 ( 8.214 -3.799 1.182) 9.127 8.760 ( -1.296 -11.145 -4.835) 12.218 8.930 ( -6.614 1.861 3.177) 7.570 9.046 ( 2.172 9.877 1.836) 10.278 9.344 ( -10.833 3.387 3.279) 11.815 9.554 ( -3.949 -0.489 0.565) 4.019 9.752 ( -1.713 3.144 1.321) 3.816 9.876 ( 5.952 12.923 -4.756) 15.002 10.140 ( 4.185 0.048 -0.701) 4.243 10.271 ( 12.262 1.341 1.985) 12.493 10.687 ( -0.710 -9.675 -0.136) 9.702 10.782 ( 2.749 0.255 -4.546) 5.318 11.343 ( 6.095 0.130 0.314) 6.105 11.464 ( -0.950 3.448 0.484) 3.609 11.617 ( 7.019 6.352 -5.760) 11.081 11.725 ( 5.079 5.184 0.837) 7.305 11.958 ( -2.979 1.159 0.524) 3.239 12.218 ( -0.803 -0.983 -1.159) 1.719 12.367 ( 1.438 -1.561 0.821) 2.276 12.679 ( 0.190 0.759 -1.363) 1.571 12.777 ( -14.318 -20.119 -2.962) 24.871 12.928 ( -3.608 -7.714 2.010) 8.750 13.227 ( -2.781 0.308 -3.332) 4.351 13.405 ( -4.167 5.383 3.807) 7.800 13.452 ( -8.718 4.876 0.203) 9.991 13.518 ( -7.648 2.173 0.979) 8.011 13.644 ( -11.796 -2.549 -0.171) 12.070 13.906 ( 4.572 3.738 -6.223) 8.579 14.100 ( -3.372 -0.593 -8.292) 8.971 14.444 ( 0.558 0.176 0.268) 0.643 14.926 ( -1.117 7.497 1.415) 7.710 16.991 ( 0.950 -5.407 0.877) 5.559 17.608 ( -0.047 4.820 4.175) 6.376 17.846 ( -16.988 6.621 -9.148) 20.399 18.021 ( -1.202 1.902 3.284) 3.981 18.085 ( -0.483 -6.519 -4.791) 8.104 18.257 ( -3.393 -8.046 9.373) 12.811 18.463 ( 9.111 1.950 -1.302) 9.408 18.599 ( 9.378 -1.378 0.928) 9.524 19.058 ( 2.314 -1.960 -0.320) 3.050 19.403 ( -2.602 0.407 0.138) 2.638 19.698 ( -4.776 6.473 -0.093) 8.044 19.951 ( -2.006 -1.408 -0.844) 2.592 20.103 ( 11.780 -6.347 8.090) 15.636 20.623 ( -2.013 13.709 -1.987) 13.997 20.662 ( -4.624 7.518 0.074) 8.827 21.009 ( -0.628 1.870 -6.674) 6.960 21.498 ( 2.618 -13.274 0.310) 13.533 21.771 ( 5.447 -14.082 -13.318) 20.133 22.441 ( 2.885 1.019 -0.195) 3.066 22.477 ( 1.860 -0.283 0.240) 1.896 22.857 ( -8.062 4.324 1.373) 9.251 23.503 ( 2.347 1.181 2.707) 3.773 23.538 ( 5.750 1.614 0.953) 6.047 24.319 ( -3.099 1.324 4.665) 5.756 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -2.650 -5.486 -0.645) 6.127 1.180 ( -2.160 -8.782 1.307) 9.138 1.449 ( 7.938 -13.856 3.747) 16.402 1.627 ( 0.278 1.293 -2.294) 2.648 1.799 ( 8.935 -2.660 3.073) 9.816 1.873 ( 14.870 9.617 -0.390) 17.713 1.999 ( 3.141 6.441 3.764) 8.094 2.047 ( 7.104 -2.664 -0.525) 7.605 2.082 ( 2.240 1.434 -2.689) 3.782 2.211 ( 1.071 2.238 2.063) 3.226 2.307 ( -1.702 0.562 0.081) 1.795 2.438 ( -4.962 4.358 -3.924) 7.682 2.526 ( 0.904 -4.285 2.457) 5.022 2.626 ( -9.665 -23.310 3.276) 25.446 2.713 ( -0.099 3.910 4.180) 5.725 2.841 ( 1.015 -1.003 -3.647) 3.916 2.886 ( -6.967 -6.539 0.682) 9.580 3.136 ( -8.105 1.889 -3.564) 9.053 3.196 ( -1.053 -4.056 6.908) 8.080 3.271 ( 0.302 -9.586 -1.929) 9.783 3.412 ( 12.530 -4.606 -1.780) 13.468 3.669 ( 7.157 -2.624 0.295) 7.629 3.930 ( 11.137 -8.367 0.008) 13.930 3.977 ( 3.079 -10.605 0.234) 11.046 4.114 ( -1.111 5.082 2.275) 5.678 4.227 ( 7.192 5.127 -3.427) 9.474 4.281 ( -1.053 4.400 -2.038) 4.962 4.382 ( -0.374 0.651 -1.501) 1.678 4.399 ( 1.054 1.037 -6.612) 6.776 4.604 ( -5.021 -3.006 0.988) 5.935 4.734 ( 8.015 -0.671 2.392) 8.391 5.020 ( -2.688 -0.661 7.328) 7.833 5.132 ( -6.220 3.443 -2.412) 7.508 5.353 ( -6.367 6.398 -0.998) 9.081 5.429 ( -3.537 -0.833 1.205) 3.829 5.534 ( -1.136 7.210 1.462) 7.444 5.839 ( 3.069 -0.211 0.306) 3.092 5.958 ( 0.227 0.905 -0.364) 1.002 6.105 ( -4.470 4.598 -2.357) 6.833 6.270 ( 2.349 -4.727 0.197) 5.283 6.380 ( 0.835 3.192 0.038) 3.299 6.590 ( 6.145 5.064 0.961) 8.021 6.707 ( 6.619 7.418 -0.056) 9.942 7.013 ( -5.280 -11.611 -2.253) 12.953 7.072 ( 3.080 -6.353 2.312) 7.429 7.254 ( -0.693 0.307 -2.119) 2.251 7.461 ( 4.430 -4.166 1.936) 6.382 7.633 ( -1.875 -7.364 -2.276) 7.932 7.691 ( -5.112 -1.274 2.618) 5.883 8.013 ( 4.264 4.033 2.406) 6.343 8.060 ( 0.874 -7.089 -4.160) 8.266 8.208 ( 6.958 2.090 -0.190) 7.268 8.284 ( 2.602 0.494 -1.095) 2.866 8.595 ( 5.009 -6.185 0.706) 7.990 8.736 ( 0.156 13.940 5.949) 15.158 8.882 ( -2.561 -3.591 -1.537) 4.671 8.991 ( -7.347 -2.086 -2.832) 8.145 9.240 ( -2.407 0.060 4.904) 5.463 9.551 ( -2.422 -1.111 -1.964) 3.310 9.682 ( 0.629 5.166 0.596) 5.238 9.741 ( 3.093 1.875 -1.537) 3.930 10.143 ( 3.150 3.378 -0.073) 4.619 10.287 ( 4.259 5.677 1.149) 7.189 10.763 ( 2.887 4.819 -2.894) 6.320 10.891 ( 4.110 -10.625 0.425) 11.400 11.327 ( 2.886 5.367 0.894) 6.159 11.404 ( -1.916 3.212 0.850) 3.836 11.649 ( 10.645 1.424 -3.261) 11.224 11.702 ( 1.455 2.457 -0.680) 2.936 11.941 ( -3.165 -3.763 0.240) 4.923 12.261 ( 2.897 -3.816 -1.462) 5.009 12.436 ( 1.306 -4.468 1.093) 4.782 12.602 ( -4.257 5.194 0.440) 6.730 12.773 ( -11.710 0.061 0.320) 11.715 12.993 ( -3.884 3.929 1.314) 5.678 13.133 ( -7.102 4.743 0.204) 8.542 13.233 ( -2.864 -2.333 -1.082) 3.849 13.350 ( -4.886 2.277 3.009) 6.174 13.499 ( -2.623 2.635 -0.016) 3.718 13.580 ( -9.061 -8.361 -0.488) 12.338 13.856 ( 4.403 4.976 -6.171) 9.069 14.023 ( -5.248 2.964 -1.581) 6.231 14.431 ( -2.840 -1.014 -2.270) 3.775 14.795 ( 0.211 7.055 2.640) 7.536 17.119 ( 0.108 -7.472 1.569) 7.635 17.482 ( -8.008 6.495 4.145) 11.113 17.635 ( -1.569 1.751 -7.116) 7.494 17.981 ( 1.450 4.833 -4.095) 6.499 18.180 ( -2.082 -6.664 1.935) 7.245 18.373 ( 1.048 -4.727 2.690) 5.539 18.563 ( 6.365 -4.287 0.218) 7.678 18.747 ( 10.180 -3.470 -0.601) 10.772 19.132 ( 6.487 -1.689 -0.601) 6.730 19.372 ( -3.890 -0.908 -0.566) 4.035 19.517 ( -7.907 6.174 0.563) 10.048 19.938 ( -2.307 0.010 -1.292) 2.644 20.182 ( -7.227 5.608 2.107) 9.387 20.463 ( -6.445 7.263 0.515) 9.724 20.495 ( 10.553 3.758 -0.049) 11.202 20.936 ( 0.708 4.471 1.359) 4.726 21.780 ( 2.799 -14.781 -0.962) 15.075 21.982 ( 2.571 -8.757 -2.394) 9.435 22.426 ( 0.950 2.651 -1.023) 2.996 22.499 ( 1.161 0.319 1.980) 2.318 22.737 ( -5.830 0.926 -4.903) 7.674 23.517 ( 2.040 0.738 1.753) 2.789 23.568 ( 4.638 1.454 1.008) 4.964 24.287 ( -1.746 0.777 1.848) 2.658 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -2.393 -4.078 -0.587) 4.764 1.293 ( -0.085 -6.044 1.272) 6.177 1.575 ( 9.994 5.160 -3.229) 11.702 1.635 ( -1.755 -2.326 -1.111) 3.118 1.826 ( 3.106 2.382 3.797) 5.453 1.873 ( -6.784 0.508 7.296) 9.976 1.921 ( 20.589 11.709 0.076) 23.686 2.073 ( 3.544 2.000 -2.225) 4.637 2.187 ( 9.366 2.768 -10.980) 14.695 2.201 ( 0.392 0.365 0.883) 1.033 2.300 ( 0.937 -3.625 2.156) 4.320 2.391 ( 1.016 -2.178 -6.884) 7.292 2.567 ( 5.496 -1.181 4.607) 7.268 2.654 ( -5.069 1.837 1.284) 5.543 2.739 ( -2.791 1.268 0.929) 3.203 2.885 ( -13.663 -4.441 6.382) 15.720 2.939 ( -1.994 3.190 3.766) 5.323 3.013 ( -6.401 -8.626 -1.114) 10.799 3.240 ( 0.721 -5.700 -0.808) 5.802 3.517 ( -9.889 -15.949 0.879) 18.786 3.632 ( 13.158 1.406 -0.852) 13.260 3.771 ( 5.461 -5.378 1.756) 7.863 4.014 ( 0.247 1.419 -1.507) 2.084 4.036 ( -11.016 -3.203 -2.813) 11.812 4.086 ( -2.477 5.829 -4.188) 7.593 4.178 ( -0.546 -1.295 3.286) 3.574 4.288 ( 2.774 6.557 -4.449) 8.395 4.362 ( 7.047 -5.928 -0.368) 9.216 4.474 ( 5.884 -2.086 1.547) 6.432 4.594 ( -1.304 0.379 -1.010) 1.692 4.824 ( 6.238 0.864 1.751) 6.536 5.012 ( -1.185 0.557 3.682) 3.908 5.040 ( 1.354 2.455 -0.792) 2.913 5.221 ( -2.364 0.864 -1.837) 3.116 5.387 ( -2.103 7.165 1.537) 7.624 5.450 ( -4.595 -3.783 0.537) 5.976 5.842 ( -3.104 -1.884 0.258) 3.640 5.938 ( 1.219 2.841 -2.620) 4.052 6.082 ( 4.937 -1.886 0.769) 5.340 6.297 ( 2.636 7.571 -0.460) 8.030 6.389 ( 2.956 -4.481 0.090) 5.369 6.508 ( 0.803 8.288 0.512) 8.342 6.647 ( 2.522 4.740 0.503) 5.392 7.115 ( -8.232 -5.571 -0.893) 9.980 7.157 ( 1.911 -2.341 -1.344) 3.308 7.261 ( -2.323 -2.298 1.363) 3.540 7.581 ( 5.922 -2.298 2.440) 6.805 7.708 ( 0.699 -3.005 2.679) 4.086 7.779 ( -0.697 -10.401 -2.577) 10.738 7.933 ( 3.394 3.191 -3.259) 5.685 8.167 ( 1.398 1.230 -1.921) 2.676 8.242 ( -3.262 -2.672 0.488) 4.245 8.282 ( 4.539 2.974 -0.215) 5.431 8.502 ( -0.559 14.611 3.301) 14.990 8.696 ( -1.107 -4.276 1.416) 4.639 8.858 ( -9.536 -4.551 2.002) 10.754 9.011 ( 1.575 -3.812 -4.429) 6.052 9.251 ( -0.701 -0.101 1.326) 1.503 9.464 ( 0.085 4.764 -1.497) 4.994 9.632 ( -1.882 2.637 1.500) 3.570 9.892 ( 4.235 -9.967 -0.109) 10.830 10.112 ( 2.951 3.570 0.493) 4.658 10.234 ( 2.112 1.262 -0.228) 2.471 10.619 ( 1.324 13.833 -1.059) 13.937 11.091 ( 2.003 -7.621 0.146) 7.881 11.289 ( 1.629 1.170 0.611) 2.096 11.319 ( -1.972 3.853 0.677) 4.380 11.588 ( 3.940 10.859 -0.274) 11.555 11.734 ( 1.025 -1.556 -1.831) 2.612 12.047 ( -1.716 -11.226 -0.278) 11.360 12.370 ( -0.605 -2.128 -0.461) 2.260 12.452 ( -1.060 2.302 0.442) 2.573 12.559 ( 1.729 -5.649 0.156) 5.910 12.647 ( -4.747 5.321 -0.181) 7.133 12.722 ( -2.874 11.914 2.445) 12.497 13.143 ( -1.505 -3.432 0.022) 3.748 13.225 ( -0.952 2.030 -1.350) 2.617 13.354 ( -0.981 -4.595 1.826) 5.041 13.401 ( -4.445 0.607 2.268) 5.028 13.682 ( 0.086 -4.111 -2.976) 5.076 13.798 ( 2.231 1.831 -5.288) 6.024 13.913 ( -4.623 2.062 4.016) 6.461 14.424 ( -4.153 -3.414 -3.996) 6.699 14.713 ( 0.730 4.360 2.876) 5.275 17.228 ( -0.264 -4.659 0.198) 4.671 17.339 ( -6.737 1.659 2.947) 7.539 17.669 ( 4.338 -4.766 -3.464) 7.316 17.850 ( 0.014 9.132 -3.799) 9.891 18.266 ( 0.224 -2.864 4.163) 5.058 18.487 ( 1.592 -6.422 -0.045) 6.616 18.670 ( 1.526 -1.930 -1.209) 2.741 18.854 ( 5.272 2.131 -0.572) 5.715 19.222 ( 9.218 2.076 0.329) 9.455 19.351 ( -4.940 -0.480 -0.825) 5.031 19.407 ( -0.938 -2.333 0.846) 2.653 19.850 ( -1.882 5.710 -0.337) 6.022 20.057 ( -9.894 -4.733 -0.520) 10.980 20.268 ( -8.741 5.528 0.541) 10.356 20.527 ( 3.469 3.536 -6.251) 7.975 20.931 ( 8.462 3.029 10.919) 14.142 22.017 ( 3.292 -9.730 -3.485) 10.847 22.109 ( 2.634 -2.866 2.945) 4.881 22.376 ( -0.508 2.084 -2.790) 3.520 22.488 ( -1.280 2.048 3.457) 4.217 22.670 ( -5.993 -1.873 -6.743) 9.213 23.522 ( 0.971 1.022 0.627) 1.543 23.585 ( 3.216 1.755 1.683) 4.032 24.271 ( -0.753 0.077 0.579) 0.953 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.384 -3.363 0.155) 3.389 1.392 ( 3.066 -2.655 0.330) 4.069 1.595 ( 4.540 2.943 -5.608) 7.792 1.647 ( 8.658 -0.671 0.205) 8.686 1.839 ( 1.905 1.795 4.076) 4.844 1.852 ( -2.190 2.489 6.303) 7.121 1.951 ( 20.521 9.269 -3.012) 22.717 2.069 ( 0.582 2.242 -2.391) 3.329 2.113 ( 4.151 3.560 -5.762) 7.943 2.208 ( 0.258 -0.084 -0.077) 0.282 2.378 ( 0.921 -3.171 1.305) 3.550 2.385 ( 2.514 0.193 -5.383) 5.944 2.474 ( -2.252 5.763 -2.985) 6.870 2.707 ( -2.756 -2.448 1.287) 3.905 2.745 ( -1.475 -0.877 1.973) 2.615 2.795 ( -2.044 1.818 0.238) 2.746 3.044 ( 1.813 -11.515 6.701) 13.446 3.069 ( -9.391 -4.512 3.817) 11.096 3.251 ( -4.176 3.912 -0.744) 5.770 3.517 ( -8.527 0.590 -0.837) 8.588 3.641 ( -3.205 5.373 1.077) 6.348 3.861 ( -2.383 1.324 -8.056) 8.505 3.900 ( -5.092 9.301 0.543) 10.618 3.978 ( 0.487 -4.244 3.254) 5.370 4.072 ( -2.750 -3.923 0.806) 4.859 4.171 ( 2.751 2.851 -1.349) 4.185 4.235 ( -0.897 -4.733 -0.487) 4.842 4.414 ( -2.766 2.770 0.859) 4.008 4.457 ( 1.809 8.980 2.328) 9.452 4.680 ( 5.738 -5.597 0.550) 8.034 4.783 ( 3.181 9.091 -0.659) 9.654 5.007 ( 0.132 -0.749 0.248) 0.800 5.068 ( 3.354 -2.976 -0.088) 4.485 5.258 ( 2.946 2.984 -0.101) 4.194 5.331 ( 0.262 -7.176 0.058) 7.181 5.456 ( -4.754 -2.267 -1.110) 5.383 5.882 ( -2.503 -5.968 0.203) 6.475 5.901 ( -0.425 0.392 -1.353) 1.471 6.156 ( 7.871 12.714 1.014) 14.988 6.180 ( 0.493 -1.168 -1.380) 1.874 6.389 ( 0.257 3.161 2.184) 3.851 6.468 ( 1.756 -1.880 -1.363) 2.911 6.576 ( -1.416 4.593 0.038) 4.806 7.055 ( -13.099 -3.520 0.132) 13.565 7.161 ( 4.894 6.204 0.332) 7.909 7.388 ( -1.675 -13.705 -1.776) 13.921 7.608 ( 3.402 6.114 1.045) 7.074 7.738 ( 8.744 4.231 4.915) 10.886 7.882 ( -1.354 4.781 -1.088) 5.087 7.982 ( -3.522 -7.338 -1.385) 8.256 8.049 ( -1.160 2.628 -9.092) 9.535 8.217 ( -5.316 -0.562 2.392) 5.857 8.238 ( 1.337 12.389 8.210) 14.923 8.419 ( 3.798 -5.822 -0.184) 6.954 8.747 ( 0.321 -0.742 -0.787) 1.128 8.836 ( -8.413 -5.221 -4.096) 10.715 9.106 ( 4.756 -4.143 -1.225) 6.425 9.240 ( -0.763 0.200 -0.866) 1.172 9.435 ( -0.410 -0.375 3.394) 3.440 9.550 ( -4.490 3.233 -0.146) 5.535 9.987 ( 2.861 2.778 -0.646) 4.040 10.064 ( -0.550 4.468 1.441) 4.727 10.348 ( 4.441 2.860 -2.106) 5.686 10.404 ( -0.305 -3.294 1.332) 3.566 11.117 ( -3.738 2.897 -0.283) 4.738 11.277 ( 0.089 0.741 -0.078) 0.751 11.339 ( 2.595 -3.209 0.362) 4.142 11.420 ( -0.895 8.715 -0.217) 8.763 11.727 ( -1.911 0.575 -0.014) 1.996 12.233 ( -2.527 -2.997 0.058) 3.921 12.294 ( -4.294 -5.076 1.789) 6.885 12.353 ( -0.401 8.961 -0.760) 9.002 12.570 ( -0.772 1.787 -0.297) 1.969 12.692 ( 9.136 -5.905 -1.273) 10.952 12.734 ( 2.277 -7.793 1.593) 8.273 13.179 ( -0.506 -1.917 0.416) 2.026 13.215 ( 0.896 -2.313 -1.689) 3.001 13.346 ( -0.272 0.012 1.394) 1.421 13.499 ( 0.604 -6.981 -0.156) 7.009 13.656 ( 2.624 3.535 -1.630) 4.694 13.776 ( -3.980 -1.101 -1.403) 4.361 14.005 ( 5.639 -8.412 4.275) 10.992 14.432 ( -5.699 -4.803 -4.181) 8.546 14.664 ( 0.731 3.671 2.802) 4.676 17.263 ( -0.852 -0.213 0.761) 1.162 17.349 ( -1.311 -7.080 0.106) 7.202 17.651 ( -0.556 10.302 -2.896) 10.715 17.833 ( 3.407 -7.922 1.148) 8.699 18.318 ( 2.852 -0.491 2.737) 3.983 18.553 ( -0.991 2.437 -2.027) 3.321 18.657 ( -1.184 0.676 -0.187) 1.376 18.761 ( -3.063 8.170 0.642) 8.749 19.163 ( 1.966 9.931 -0.515) 10.137 19.382 ( 0.217 -6.098 -0.561) 6.127 19.518 ( 7.790 -3.852 0.531) 8.706 19.857 ( 2.960 -5.079 0.055) 5.879 20.094 ( -7.506 -5.413 -0.887) 9.297 20.118 ( -10.228 -3.124 0.848) 10.728 20.438 ( -0.007 4.074 -6.232) 7.446 21.034 ( 9.912 1.294 10.591) 14.563 22.132 ( 3.400 5.304 2.952) 6.957 22.153 ( 4.859 -2.260 -3.556) 6.431 22.347 ( -0.726 -1.355 -4.820) 5.059 22.438 ( -4.091 1.407 5.311) 6.850 22.621 ( -7.879 -2.343 -5.606) 9.950 23.504 ( 0.062 1.749 0.037) 1.751 23.582 ( 1.715 2.091 1.819) 3.259 24.272 ( -0.056 -0.564 -0.058) 0.570 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.036 2.412 0.104) 2.415 1.374 ( -0.992 13.461 -2.811) 13.787 1.507 ( -0.518 2.611 -1.793) 3.209 1.662 ( 3.163 15.359 -2.449) 15.871 1.767 ( 2.270 6.356 -1.435) 6.900 1.826 ( 6.028 -2.349 4.539) 7.903 1.985 ( 5.026 5.186 -0.695) 7.255 2.020 ( 14.375 3.622 -3.982) 15.349 2.177 ( 2.148 0.632 0.450) 2.284 2.275 ( 0.814 -9.120 2.156) 9.407 2.397 ( 2.949 0.946 0.404) 3.123 2.418 ( 0.484 -0.337 -1.122) 1.267 2.525 ( 0.022 -5.776 5.132) 7.727 2.582 ( -9.254 5.378 -3.581) 11.286 2.703 ( -7.742 5.641 -1.826) 9.752 2.724 ( -2.653 0.488 -0.753) 2.801 2.948 ( -8.907 3.266 -0.184) 9.489 3.162 ( -11.237 -0.515 7.040) 13.270 3.271 ( 7.757 -3.574 0.283) 8.545 3.352 ( -6.580 -0.973 -2.113) 6.979 3.568 ( 6.925 7.967 -5.006) 11.682 3.643 ( -7.006 11.414 3.194) 13.769 3.826 ( 7.497 7.017 -2.390) 10.543 3.929 ( -0.388 7.025 1.744) 7.249 4.061 ( -8.428 -2.956 1.000) 8.987 4.193 ( 7.217 -0.838 -3.123) 7.908 4.322 ( -0.464 8.723 -0.039) 8.735 4.335 ( -7.488 -1.603 4.962) 9.125 4.433 ( 1.454 -12.963 0.332) 13.048 4.534 ( 0.174 15.512 -0.218) 15.514 4.852 ( 5.626 -3.435 0.461) 6.608 5.036 ( 2.447 -0.834 -0.503) 2.634 5.149 ( -5.238 -4.153 -1.817) 6.927 5.279 ( 5.530 -2.440 2.714) 6.626 5.417 ( -5.077 -3.206 -3.180) 6.794 5.498 ( 2.253 -7.113 -0.417) 7.473 5.907 ( -0.557 -2.285 -0.388) 2.383 5.937 ( 1.637 12.442 0.274) 12.552 6.021 ( -1.978 -9.735 0.049) 9.934 6.208 ( -0.271 -2.007 -1.270) 2.390 6.408 ( 2.593 1.741 4.213) 5.244 6.471 ( -1.893 4.289 -0.254) 4.695 6.531 ( 3.988 -3.726 -2.693) 6.086 7.010 ( -8.615 -3.987 1.219) 9.571 7.069 ( -0.353 7.229 -1.198) 7.337 7.430 ( -0.179 14.378 -0.160) 14.380 7.597 ( -0.224 -10.945 -2.872) 11.317 7.704 ( 5.361 12.137 6.402) 14.732 7.839 ( 6.363 1.961 0.298) 6.665 7.926 ( -5.174 3.850 -5.394) 8.408 8.009 ( -1.836 6.989 2.281) 7.578 8.078 ( -4.779 -2.714 0.013) 5.496 8.222 ( -2.276 -2.742 0.835) 3.660 8.516 ( 0.915 -2.590 -0.482) 2.789 8.672 ( 0.628 10.194 -1.272) 10.292 8.981 ( 0.287 -15.334 -0.559) 15.347 9.209 ( 0.449 0.610 -3.373) 3.457 9.228 ( 7.414 -0.677 1.705) 7.637 9.450 ( -7.198 0.131 -1.620) 7.379 9.463 ( -3.213 -3.266 3.596) 5.824 9.808 ( -0.468 12.373 0.198) 12.384 10.097 ( 1.423 -4.836 0.621) 5.079 10.254 ( 1.720 5.925 -1.136) 6.273 10.601 ( -0.555 -9.929 0.767) 9.974 11.014 ( -0.252 4.872 -0.050) 4.879 11.234 ( 0.249 5.697 -2.915) 6.404 11.286 ( -4.770 0.736 2.436) 5.407 11.431 ( 0.626 -3.581 0.193) 3.640 11.712 ( -1.075 -0.888 0.617) 1.525 12.116 ( 1.158 9.977 0.071) 10.044 12.210 ( -2.153 -0.172 0.773) 2.294 12.488 ( -0.541 5.424 -0.418) 5.466 12.530 ( -0.488 -11.265 -0.006) 11.276 12.900 ( 2.895 -10.308 -0.432) 10.716 12.930 ( 3.437 -10.665 -0.572) 11.220 13.192 ( -0.065 2.109 1.522) 2.602 13.279 ( 0.399 -5.028 -1.277) 5.203 13.406 ( 4.299 -5.328 -0.248) 6.851 13.602 ( 3.718 -3.555 -4.165) 6.618 13.666 ( -0.764 -2.847 2.859) 4.107 13.787 ( -2.365 -3.796 1.300) 4.658 14.230 ( 9.458 -4.254 3.502) 10.946 14.471 ( -6.992 -10.971 -4.132) 13.650 14.611 ( 0.454 4.444 2.807) 5.276 17.232 ( -0.155 5.039 0.293) 5.050 17.489 ( 3.148 1.036 -8.030) 8.687 17.540 ( -3.365 -11.845 6.897) 14.113 18.005 ( 3.320 -6.984 1.888) 7.960 18.362 ( 3.704 0.020 0.911) 3.815 18.407 ( -0.554 10.315 -0.888) 10.368 18.540 ( -6.307 6.967 -1.436) 9.507 18.622 ( -1.508 7.426 0.967) 7.639 19.039 ( -0.535 3.266 -0.078) 3.311 19.509 ( 0.884 -6.608 -0.479) 6.684 19.634 ( 11.861 2.694 1.022) 12.206 19.898 ( -9.482 1.851 -1.030) 9.716 20.041 ( -3.654 -5.596 -1.419) 6.833 20.274 ( 0.718 -12.328 0.092) 12.349 20.421 ( 0.165 -4.825 -1.735) 5.130 21.124 ( 5.572 0.876 6.105) 8.311 21.983 ( 0.225 13.778 1.164) 13.829 22.208 ( 10.457 3.358 -0.941) 11.023 22.369 ( -0.297 -2.408 -2.259) 3.315 22.410 ( -6.717 -1.739 5.833) 9.065 22.551 ( -8.146 -1.592 -7.024) 10.873 23.470 ( -0.206 2.032 0.045) 2.043 23.559 ( 0.494 2.429 1.057) 2.694 24.288 ( 0.278 -1.136 -0.364) 1.225 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 25.185 0.000) 25.185 1.117 ( 0.000 7.653 0.000) 7.653 1.258 ( 0.000 30.517 0.000) 30.517 1.496 ( 0.000 2.844 0.000) 2.844 1.684 ( 0.000 4.504 0.000) 4.504 1.874 ( 0.000 8.478 0.000) 8.478 1.938 ( 0.000 1.205 0.000) 1.205 2.023 ( 0.000 15.668 0.000) 15.668 2.104 ( 0.000 15.436 0.000) 15.436 2.130 ( 0.000 6.069 0.000) 6.069 2.299 ( 0.000 19.022 0.000) 19.022 2.358 ( 0.000 1.460 0.000) 1.460 2.498 ( -0.000 -2.513 -0.000) 2.513 2.613 ( -0.000 -15.057 -0.000) 15.057 2.707 ( -0.000 -1.662 -0.000) 1.662 2.814 ( -0.000 -12.222 -0.000) 12.222 2.854 ( -0.000 -0.181 -0.000) 0.181 3.177 ( 0.000 13.629 0.000) 13.629 3.214 ( -0.000 -6.989 -0.000) 6.989 3.448 ( -0.000 -5.310 -0.000) 5.310 3.457 ( -0.000 -0.075 -0.000) 0.075 3.535 ( 0.000 0.465 0.000) 0.465 3.596 ( 0.000 12.271 0.000) 12.271 3.997 ( 0.000 11.774 0.000) 11.774 4.052 ( 0.000 4.884 0.000) 4.884 4.059 ( -0.000 -4.570 -0.000) 4.570 4.253 ( -0.000 -1.861 -0.000) 1.861 4.359 ( 0.000 4.128 0.000) 4.128 4.371 ( -0.000 -2.734 -0.000) 2.734 4.626 ( -0.000 -6.626 -0.000) 6.626 4.889 ( 0.000 4.289 0.000) 4.289 5.081 ( 0.000 0.436 0.000) 0.436 5.122 ( -0.000 -4.030 -0.000) 4.030 5.403 ( -0.000 -3.638 -0.000) 3.638 5.466 ( -0.000 -9.327 -0.000) 9.327 5.665 ( -0.000 -10.139 -0.000) 10.139 5.760 ( 0.000 7.303 0.000) 7.303 5.953 ( -0.000 -3.204 -0.000) 3.204 6.205 ( -0.000 -7.708 -0.000) 7.708 6.238 ( -0.000 -4.434 -0.000) 4.434 6.359 ( 0.000 7.506 0.000) 7.506 6.409 ( -0.000 -1.286 -0.000) 1.286 6.633 ( -0.000 -4.266 -0.000) 4.266 6.910 ( 0.000 7.004 0.000) 7.004 7.067 ( -0.000 -5.727 -0.000) 5.727 7.194 ( 0.000 14.311 0.000) 14.311 7.420 ( 0.000 19.760 0.000) 19.760 7.724 ( -0.000 -4.554 -0.000) 4.554 7.728 ( 0.000 9.054 0.000) 9.054 7.838 ( 0.000 1.894 0.000) 1.894 8.076 ( -0.000 -2.835 -0.000) 2.835 8.107 ( -0.000 -5.585 -0.000) 5.585 8.219 ( 0.000 2.482 0.000) 2.482 8.436 ( 0.000 15.084 0.000) 15.084 8.605 ( -0.000 -8.870 -0.000) 8.870 9.104 ( 0.000 8.184 0.000) 8.184 9.163 ( -0.000 -1.665 -0.000) 1.665 9.382 ( -0.000 -10.645 -0.000) 10.645 9.453 ( -0.000 -6.861 -0.000) 6.861 9.547 ( -0.000 -8.573 -0.000) 8.573 9.677 ( 0.000 3.453 0.000) 3.453 10.132 ( 0.000 8.064 0.000) 8.064 10.177 ( -0.000 -1.104 -0.000) 1.104 10.706 ( -0.000 -2.980 -0.000) 2.980 10.979 ( 0.000 0.251 0.000) 0.251 11.109 ( 0.000 5.458 0.000) 5.458 11.270 ( 0.000 0.136 0.000) 0.136 11.485 ( -0.000 -2.227 -0.000) 2.227 11.726 ( -0.000 -0.619 -0.000) 0.619 12.016 ( 0.000 2.406 0.000) 2.406 12.218 ( -0.000 -1.145 -0.000) 1.145 12.392 ( 0.000 4.554 0.000) 4.554 12.645 ( -0.000 -2.965 -0.000) 2.965 13.036 ( 0.000 0.778 0.000) 0.778 13.145 ( -0.000 -11.678 -0.000) 11.678 13.176 ( -0.000 -5.398 -0.000) 5.398 13.376 ( -0.000 -5.290 -0.000) 5.290 13.571 ( -0.000 -9.343 -0.000) 9.343 13.664 ( -0.000 -1.708 -0.000) 1.708 13.744 ( -0.000 -5.867 -0.000) 5.867 13.837 ( -0.000 -2.257 -0.000) 2.257 14.296 ( 0.000 0.391 0.000) 0.391 14.538 ( 0.000 4.947 0.000) 4.947 14.683 ( -0.000 -15.460 -0.000) 15.460 17.095 ( 0.000 8.889 0.000) 8.889 17.507 ( -0.000 -3.575 -0.000) 3.575 17.850 ( -0.000 -21.570 -0.000) 21.570 18.133 ( -0.000 -4.782 -0.000) 4.782 18.215 ( 0.000 10.271 0.000) 10.271 18.394 ( 0.000 6.816 0.000) 6.816 18.396 ( -0.000 -0.978 -0.000) 0.978 18.448 ( 0.000 8.947 0.000) 8.947 19.023 ( -0.000 -0.535 -0.000) 0.535 19.554 ( 0.000 4.617 0.000) 4.617 19.657 ( 0.000 4.561 0.000) 4.561 19.754 ( 0.000 0.878 0.000) 0.878 20.121 ( -0.000 -4.703 -0.000) 4.703 20.482 ( -0.000 -10.616 -0.000) 10.616 20.574 ( -0.000 -10.983 -0.000) 10.983 21.145 ( 0.000 1.070 0.000) 1.070 21.716 ( 0.000 16.418 0.000) 16.418 22.221 ( 0.000 5.248 0.000) 5.248 22.383 ( -0.000 -0.666 -0.000) 0.666 22.409 ( -0.000 -3.065 -0.000) 3.065 22.501 ( -0.000 -0.366 -0.000) 0.366 23.436 ( 0.000 1.742 0.000) 1.742 23.521 ( 0.000 2.188 0.000) 2.188 24.311 ( -0.000 -1.370 -0.000) 1.370 ======================= Grid point 19 (13/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.568 -0.000 0.683) 0.889 0.998 ( 0.348 -0.000 0.683) 0.766 1.058 ( 18.918 -0.000 14.829) 24.037 1.353 ( 16.716 -0.000 -0.209) 16.717 1.630 ( -1.650 0.000 -1.641) 2.327 1.929 ( -5.824 0.000 -2.856) 6.486 1.952 ( 7.409 -0.000 3.208) 8.073 2.019 ( -2.965 0.000 -6.033) 6.722 2.122 ( 6.574 -0.000 1.406) 6.722 2.165 ( -3.790 0.000 2.844) 4.738 2.254 ( 15.738 -0.000 0.318) 15.742 2.299 ( -1.366 0.000 0.004) 1.366 2.538 ( 0.800 -0.000 7.524) 7.566 2.670 ( 3.508 -0.000 -0.831) 3.605 2.807 ( 1.874 -0.000 -0.257) 1.891 2.845 ( -4.526 0.000 -4.038) 6.066 2.939 ( 18.569 -0.000 -0.072) 18.569 2.976 ( -6.640 0.000 0.198) 6.643 3.075 ( 3.331 -0.000 6.719) 7.499 3.290 ( 8.964 -0.000 -2.552) 9.320 3.358 ( -2.818 0.000 -0.499) 2.862 3.466 ( 1.639 -0.000 -6.865) 7.058 3.701 ( 6.814 -0.000 -1.252) 6.928 3.994 ( 0.063 -0.000 1.088) 1.090 4.162 ( -2.929 0.000 3.913) 4.888 4.331 ( -0.019 0.000 1.690) 1.690 4.358 ( 3.928 -0.000 3.369) 5.175 4.410 ( 10.750 -0.000 -1.184) 10.815 4.442 ( -6.294 0.000 -7.994) 10.174 4.606 ( 5.138 -0.000 -0.993) 5.233 4.643 ( -5.734 0.000 0.821) 5.793 4.914 ( -7.084 0.000 12.654) 14.502 5.199 ( -3.625 0.000 -0.821) 3.717 5.423 ( -11.987 0.000 -0.287) 11.991 5.555 ( -5.080 0.000 -4.612) 6.861 5.775 ( 8.815 -0.000 1.094) 8.882 5.835 ( -1.767 0.000 0.986) 2.024 6.012 ( -2.168 0.000 -3.581) 4.187 6.057 ( -0.697 0.000 -2.775) 2.861 6.246 ( -4.303 0.000 3.211) 5.369 6.356 ( 7.545 -0.000 1.116) 7.627 6.506 ( -0.602 0.000 -1.662) 1.767 6.807 ( -0.791 0.000 -1.629) 1.811 6.948 ( 3.561 -0.000 -0.375) 3.581 7.095 ( -1.847 0.000 -0.369) 1.884 7.269 ( -0.605 0.000 2.488) 2.561 7.302 ( 7.650 -0.000 -1.854) 7.871 7.469 ( -2.927 0.000 -0.285) 2.941 7.648 ( -3.515 0.000 2.013) 4.051 7.924 ( -8.162 0.000 -0.255) 8.166 8.108 ( 13.346 -0.000 0.700) 13.364 8.295 ( 12.391 -0.000 -1.138) 12.443 8.371 ( 6.520 -0.000 2.094) 6.848 8.426 ( 3.883 -0.000 0.897) 3.985 8.620 ( -0.517 0.000 -5.632) 5.656 8.902 ( -0.193 0.000 1.074) 1.091 9.186 ( 0.494 -0.000 3.614) 3.648 9.276 ( -9.477 0.000 -0.820) 9.512 9.500 ( -6.465 0.000 1.268) 6.588 9.724 ( -6.847 0.000 3.368) 7.630 10.016 ( -1.901 0.000 -4.944) 5.296 10.210 ( 10.843 -0.000 -0.096) 10.844 10.494 ( 18.181 -0.000 1.553) 18.247 10.553 ( -1.611 0.000 0.026) 1.611 10.798 ( 3.216 -0.000 -3.463) 4.726 11.422 ( 10.487 -0.000 -0.593) 10.504 11.470 ( -3.127 0.000 0.908) 3.256 11.612 ( -4.159 0.000 -4.648) 6.237 11.857 ( -3.423 0.000 -1.227) 3.636 12.124 ( 6.306 -0.000 -3.500) 7.212 12.154 ( -0.874 0.000 -1.432) 1.677 12.329 ( 2.533 -0.000 1.527) 2.958 12.402 ( 2.642 -0.000 -1.207) 2.904 12.716 ( 0.342 -0.000 0.876) 0.940 12.824 ( -4.219 0.000 0.331) 4.232 13.186 ( -4.522 0.000 -1.711) 4.835 13.361 ( -18.565 0.000 -0.922) 18.588 13.423 ( -18.062 0.000 0.697) 18.075 13.431 ( -3.189 0.000 5.441) 6.306 13.537 ( -1.103 0.000 -0.953) 1.458 13.974 ( 5.863 -0.000 -7.429) 9.463 14.049 ( -1.298 0.000 -5.491) 5.643 14.459 ( -2.136 0.000 5.591) 5.985 14.973 ( -2.554 0.000 0.169) 2.560 16.955 ( 1.082 -0.000 0.424) 1.162 17.679 ( 2.100 -0.000 1.833) 2.788 17.680 ( -17.921 0.000 -9.631) 20.345 18.008 ( 0.851 -0.000 -5.701) 5.764 18.065 ( -5.993 0.000 14.211) 15.423 18.162 ( 2.435 -0.000 4.097) 4.766 18.584 ( 10.987 -0.000 -1.346) 11.069 18.691 ( 10.456 -0.000 -2.772) 10.817 19.057 ( 2.250 -0.000 0.722) 2.363 19.374 ( -4.666 0.000 0.595) 4.704 19.729 ( -4.950 0.000 -0.499) 4.975 19.781 ( -14.198 0.000 -2.841) 14.479 20.305 ( 22.471 -0.000 7.731) 23.764 20.693 ( -4.691 0.000 0.051) 4.691 20.740 ( -4.811 0.000 -0.058) 4.811 21.015 ( 2.163 -0.000 -3.476) 4.094 21.394 ( 2.712 -0.000 0.795) 2.826 21.656 ( 8.157 -0.000 -11.168) 13.830 22.482 ( 2.455 -0.000 -0.248) 2.468 22.500 ( 3.372 -0.000 0.239) 3.381 22.770 ( -12.339 0.000 -3.275) 12.766 23.531 ( 1.942 -0.000 1.122) 2.242 23.632 ( 5.367 -0.000 2.123) 5.772 24.310 ( -3.863 0.000 4.584) 5.995 ======================= Grid point 20 (14/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.014 -5.933 0.769) 6.068 1.042 ( -0.761 -4.994 -0.030) 5.051 1.355 ( 12.971 -9.156 7.500) 17.560 1.603 ( -1.594 -0.782 -1.969) 2.651 1.712 ( 5.272 -17.489 -0.082) 18.267 1.917 ( -8.273 0.708 -0.951) 8.358 2.001 ( -0.687 -4.438 -4.190) 6.142 2.050 ( -5.677 -16.336 -0.439) 17.299 2.165 ( 4.073 -0.473 -0.134) 4.103 2.213 ( 1.584 -6.056 1.643) 6.472 2.271 ( -2.758 -1.121 3.300) 4.445 2.326 ( -0.520 -0.824 -2.888) 3.048 2.482 ( 0.857 5.470 8.456) 10.107 2.613 ( 7.552 10.375 0.418) 12.839 2.787 ( 0.600 1.364 -0.613) 1.611 2.826 ( -1.482 3.933 -4.683) 6.292 2.899 ( 2.436 3.356 5.035) 6.522 3.076 ( 3.095 2.793 5.160) 6.634 3.128 ( 7.793 3.157 -3.293) 9.030 3.349 ( 1.794 6.449 -0.048) 6.694 3.459 ( 13.443 -6.586 -1.174) 15.016 3.602 ( 10.001 -11.995 -3.212) 15.944 3.815 ( 5.084 -4.856 -0.748) 7.071 4.019 ( 7.160 -2.423 1.993) 7.817 4.126 ( -5.472 -0.227 -2.291) 5.937 4.287 ( -5.158 2.868 0.348) 5.912 4.364 ( -1.175 3.168 0.256) 3.388 4.405 ( 1.610 0.166 -3.271) 3.650 4.447 ( 4.559 5.472 -1.617) 7.303 4.536 ( 1.701 -1.050 0.542) 2.071 4.748 ( 3.134 -5.575 1.114) 6.491 4.944 ( -5.529 -5.334 5.895) 9.683 5.130 ( -3.004 3.727 1.252) 4.948 5.315 ( -9.849 -0.837 -0.275) 9.889 5.426 ( -5.266 5.315 -3.277) 8.168 5.687 ( -0.677 9.355 1.282) 9.467 5.898 ( 6.207 -1.029 0.451) 6.308 5.979 ( 1.796 1.953 -1.666) 3.133 6.094 ( -0.885 -2.171 -4.978) 5.503 6.211 ( -4.830 -0.898 3.449) 6.003 6.397 ( 2.912 0.046 1.246) 3.168 6.647 ( 3.953 -8.529 0.736) 9.429 6.777 ( -3.659 -0.951 -2.697) 4.644 6.916 ( 6.346 5.362 -0.210) 8.311 7.050 ( -3.784 -0.026 -1.524) 4.080 7.262 ( -1.785 1.196 0.478) 2.201 7.400 ( 2.085 -7.239 2.289) 7.874 7.495 ( -2.022 -5.500 -0.859) 5.923 7.681 ( 1.483 0.575 1.173) 1.976 7.853 ( -4.108 -4.138 0.065) 5.831 8.203 ( 7.769 3.225 0.476) 8.425 8.330 ( 4.039 6.056 0.667) 7.310 8.372 ( 8.056 3.166 -1.432) 8.773 8.542 ( 1.322 -3.867 0.970) 4.200 8.732 ( 1.822 -11.742 -2.374) 12.117 8.883 ( 1.427 4.733 -1.063) 5.056 9.063 ( -3.943 11.673 1.923) 12.471 9.218 ( -1.170 -1.142 2.141) 2.694 9.453 ( -5.689 -2.824 -0.100) 6.353 9.685 ( -4.937 -0.986 2.303) 5.536 9.894 ( -0.348 8.975 -2.110) 9.226 10.262 ( 7.107 4.648 0.266) 8.496 10.457 ( 3.819 6.912 0.214) 7.900 10.781 ( 10.161 -8.729 0.962) 13.430 10.829 ( 3.581 -0.332 -2.523) 4.393 11.412 ( -3.555 2.688 0.077) 4.457 11.473 ( 2.908 4.716 -0.618) 5.575 11.612 ( 3.543 -3.969 -2.945) 6.081 11.835 ( -1.010 -1.559 0.278) 1.879 11.989 ( 8.618 11.861 -0.367) 14.666 12.195 ( -0.447 -4.207 -1.068) 4.363 12.408 ( 1.954 -1.023 0.928) 2.393 12.568 ( -5.558 -10.596 -2.674) 12.260 12.661 ( -3.803 5.108 1.234) 6.487 12.870 ( -3.315 -8.672 1.570) 9.416 13.131 ( -12.707 3.137 -0.429) 13.096 13.153 ( -6.111 -1.039 -2.314) 6.616 13.272 ( -13.736 -3.462 0.257) 14.168 13.411 ( -4.268 -0.633 4.156) 5.991 13.513 ( -1.823 1.262 -1.022) 2.442 13.978 ( 5.341 4.947 -3.330) 8.006 14.018 ( 0.200 0.412 -5.833) 5.851 14.415 ( -5.319 2.596 4.696) 7.555 14.899 ( -1.952 5.159 0.785) 5.572 17.014 ( 0.668 -5.209 0.913) 5.331 17.466 ( -12.307 2.970 -6.437) 14.203 17.656 ( 0.442 4.004 1.967) 4.483 18.027 ( 1.227 -1.272 -5.930) 6.188 18.081 ( 0.560 -3.330 6.541) 7.361 18.267 ( -1.143 -6.665 5.513) 8.725 18.663 ( 11.484 3.177 -2.373) 12.150 18.803 ( 11.284 -1.983 -1.957) 11.623 19.124 ( 4.053 -4.179 0.268) 5.828 19.320 ( -5.934 0.065 0.138) 5.936 19.535 ( -10.030 6.039 -0.618) 11.724 19.777 ( -9.284 -7.407 -1.851) 12.020 20.396 ( 4.789 14.794 3.299) 15.896 20.555 ( -4.508 9.839 -0.636) 10.841 20.626 ( 4.581 2.814 -3.109) 6.211 21.049 ( 5.780 1.609 8.726) 10.590 21.551 ( 2.148 -13.126 -0.326) 13.304 21.816 ( 3.904 -11.638 -5.689) 13.529 22.484 ( 1.423 2.284 -0.617) 2.761 22.526 ( 2.260 0.712 0.959) 2.556 22.636 ( -10.224 -0.208 -6.466) 12.099 23.551 ( 1.881 0.499 1.085) 2.229 23.665 ( 4.781 2.311 1.610) 5.549 24.283 ( -2.620 0.448 2.479) 3.635 ======================= Grid point 21 (15/78) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.738 -4.247 -0.096) 4.589 1.158 ( -0.648 -8.897 0.577) 8.940 1.582 ( 0.706 -2.537 -0.706) 2.726 1.622 ( 4.375 -5.458 -5.103) 8.659 1.801 ( -7.601 1.217 3.771) 8.571 1.880 ( 1.523 -1.881 1.423) 2.808 2.067 ( 2.303 -3.343 -5.714) 7.009 2.195 ( 1.935 -0.573 -1.337) 2.421 2.225 ( 0.633 1.564 1.270) 2.111 2.265 ( -6.523 -8.579 5.520) 12.109 2.316 ( -1.689 -3.507 -1.515) 4.177 2.513 ( 8.039 5.529 -1.301) 9.843 2.534 ( 7.573 -2.249 4.128) 8.913 2.580 ( 2.854 -15.028 5.714) 16.329 2.703 ( 0.661 6.141 -3.801) 7.253 2.788 ( 5.097 5.874 1.129) 7.858 2.827 ( -1.035 -0.550 -2.570) 2.824 3.072 ( 1.253 4.266 7.196) 8.459 3.187 ( -3.104 -10.696 -0.506) 11.149 3.200 ( -0.471 5.949 -0.608) 5.999 3.735 ( 9.285 -3.675 -1.221) 10.060 3.783 ( 7.108 -2.651 -0.432) 7.599 3.866 ( -4.817 -1.600 -0.542) 5.105 4.035 ( -2.932 0.540 -2.732) 4.044 4.131 ( -5.823 5.366 -6.237) 10.080 4.193 ( 0.897 1.894 2.603) 3.342 4.275 ( -2.912 -1.640 0.090) 3.343 4.394 ( 2.741 1.321 -0.894) 3.171 4.506 ( 2.964 0.366 1.322) 3.266 4.607 ( 8.677 -4.968 -0.477) 10.010 4.859 ( 3.309 -2.307 2.178) 4.584 4.988 ( -5.316 -6.109 -2.609) 8.508 5.061 ( 0.543 2.634 4.931) 5.617 5.228 ( -2.633 3.387 -2.272) 4.855 5.346 ( -4.036 -1.861 1.035) 4.564 5.517 ( -1.758 8.935 0.732) 9.136 5.853 ( -1.619 5.482 -0.254) 5.722 6.017 ( 5.900 1.334 -1.175) 6.162 6.089 ( 3.407 -0.689 -1.449) 3.765 6.295 ( -0.224 -8.142 0.372) 8.153 6.377 ( -1.374 2.686 1.610) 3.420 6.707 ( 4.038 6.079 0.577) 7.320 6.774 ( -1.313 1.103 -1.349) 2.182 6.882 ( -3.339 0.415 1.340) 3.621 7.042 ( -4.386 -4.761 -4.165) 7.697 7.359 ( 7.622 -7.182 3.639) 11.087 7.540 ( 0.894 -4.847 1.612) 5.185 7.582 ( -1.162 -6.145 -3.235) 7.041 7.647 ( 2.071 -1.131 2.273) 3.277 8.004 ( -2.024 -12.505 0.480) 12.677 8.133 ( 3.506 9.851 -1.638) 10.584 8.263 ( 0.854 4.928 0.104) 5.003 8.392 ( 6.324 2.912 -1.885) 7.213 8.595 ( -3.259 -4.431 0.980) 5.587 8.682 ( -12.014 6.907 -1.848) 13.981 8.843 ( 0.157 12.297 5.145) 13.331 8.948 ( 5.530 -5.164 -2.667) 8.023 9.240 ( -0.191 -0.519 0.223) 0.596 9.500 ( -1.141 -3.205 -0.107) 3.404 9.644 ( -3.678 1.433 1.630) 4.271 9.804 ( 3.279 -1.288 -0.812) 3.616 10.226 ( 4.045 5.466 1.565) 6.978 10.353 ( 1.833 7.953 -1.749) 8.347 10.818 ( 3.226 6.222 -0.434) 7.022 11.007 ( 6.500 -6.708 0.364) 9.348 11.324 ( -3.209 2.772 -0.020) 4.240 11.391 ( -0.095 4.800 -0.260) 4.808 11.681 ( 1.436 0.858 -1.538) 2.272 11.878 ( 3.563 4.784 -0.916) 6.035 11.887 ( 3.571 0.178 1.106) 3.743 12.295 ( -0.872 -5.072 -0.989) 5.240 12.461 ( -0.702 -1.901 1.041) 2.278 12.496 ( -3.828 0.666 -0.958) 4.002 12.602 ( -3.807 -1.275 2.117) 4.539 12.886 ( -6.905 7.391 -0.016) 10.115 13.035 ( -2.676 -7.625 0.950) 8.136 13.193 ( -0.727 -4.733 -2.460) 5.383 13.247 ( -5.963 -2.801 1.787) 6.826 13.406 ( -4.485 -0.429 0.908) 4.596 13.509 ( -0.147 -6.583 -0.613) 6.613 13.871 ( -1.275 7.178 -2.741) 7.788 14.001 ( 5.247 4.963 -1.204) 7.322 14.329 ( -6.601 -0.164 -0.106) 6.604 14.797 ( -0.851 4.844 1.550) 5.157 17.128 ( -0.178 -6.452 1.734) 6.684 17.311 ( -6.638 2.090 -2.692) 7.461 17.626 ( 0.838 -0.733 -0.012) 1.113 17.988 ( 1.583 5.840 -4.602) 7.602 18.207 ( 2.236 -6.381 5.464) 8.693 18.378 ( -1.678 -6.767 0.013) 6.972 18.704 ( 7.350 2.593 -1.600) 7.957 18.944 ( 9.506 -0.606 -0.218) 9.528 19.253 ( -3.439 -2.601 0.677) 4.365 19.285 ( 0.677 -5.705 -0.810) 5.802 19.388 ( -0.475 2.020 0.232) 2.088 19.810 ( -10.005 -8.184 -1.488) 13.011 20.064 ( -3.394 19.575 0.598) 19.876 20.330 ( -5.728 10.240 -0.021) 11.734 20.610 ( 2.674 4.196 -5.301) 7.270 21.128 ( 10.046 3.379 13.657) 17.287 21.815 ( 1.381 -14.726 -2.009) 14.926 22.032 ( 2.675 -10.289 -1.254) 10.705 22.424 ( -0.548 3.907 -1.470) 4.210 22.518 ( -2.090 1.354 0.227) 2.501 22.548 ( -4.840 -0.732 -5.507) 7.368 23.556 ( 1.291 1.159 0.649) 1.853 23.667 ( 3.334 2.743 1.494) 4.569 24.264 ( -1.261 0.049 0.935) 1.570 ======================= Grid point 22 (16/78) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.274 -5.260 -0.232) 5.417 1.316 ( 1.053 -8.463 0.519) 8.544 1.580 ( -1.770 0.315 -1.740) 2.502 1.714 ( 1.661 -5.770 -3.877) 7.147 1.801 ( 0.894 -0.586 6.490) 6.578 1.903 ( 1.067 1.326 0.988) 1.968 2.109 ( 2.807 1.554 -4.644) 5.645 2.202 ( 0.042 0.578 2.045) 2.126 2.216 ( 1.569 1.229 2.193) 2.963 2.298 ( 2.146 -0.028 4.584) 5.061 2.375 ( 3.162 -0.479 -10.999) 11.454 2.473 ( 13.135 8.855 -5.660) 16.822 2.543 ( -7.274 2.817 -1.383) 7.922 2.569 ( -2.354 -0.097 1.589) 2.842 2.754 ( 0.089 1.122 -0.631) 1.291 2.877 ( 14.532 -2.603 6.899) 16.295 2.943 ( -1.448 -8.871 2.014) 9.211 2.961 ( 0.446 5.845 5.736) 8.201 3.207 ( -6.115 -4.345 -0.095) 7.502 3.328 ( -8.981 -6.317 0.903) 11.017 3.715 ( -4.759 5.660 -1.327) 7.513 3.792 ( -4.149 -0.949 -4.986) 6.555 3.882 ( 1.472 -4.819 2.414) 5.588 3.986 ( -1.100 2.387 -3.515) 4.389 4.062 ( 5.162 0.453 -1.819) 5.492 4.119 ( -3.266 0.580 3.030) 4.493 4.215 ( -7.199 2.726 -0.287) 7.703 4.446 ( 1.885 0.148 1.153) 2.214 4.563 ( 1.608 -7.601 -0.763) 7.806 4.691 ( 6.112 8.027 -0.225) 10.092 4.943 ( 4.157 -0.967 2.580) 4.988 4.983 ( -1.722 -0.492 -0.215) 1.804 5.122 ( 3.735 4.181 -0.846) 5.670 5.176 ( -1.367 -7.585 -0.690) 7.738 5.340 ( -3.221 -0.255 0.780) 3.324 5.388 ( -0.661 3.564 0.053) 3.625 5.794 ( -1.475 -0.993 0.032) 1.778 5.966 ( 2.399 6.548 -1.448) 7.123 6.151 ( -0.003 -1.871 -0.522) 1.942 6.376 ( 5.472 -1.249 2.978) 6.354 6.426 ( 0.980 -4.987 -1.078) 5.196 6.547 ( 2.565 15.633 -0.486) 15.849 6.678 ( 0.645 7.228 0.158) 7.258 6.844 ( -12.116 -4.417 -0.349) 12.901 7.149 ( -1.195 -11.204 -0.838) 11.299 7.371 ( 5.096 10.221 0.982) 11.463 7.710 ( 1.003 -9.895 1.370) 10.039 7.736 ( 1.369 -5.876 1.569) 6.234 7.756 ( 4.610 -7.891 -1.424) 9.250 7.977 ( 1.713 8.199 -1.380) 8.489 8.142 ( -5.894 -1.977 -0.179) 6.219 8.201 ( 3.311 8.227 -2.600) 9.242 8.306 ( -3.178 -1.191 2.606) 4.279 8.532 ( 1.878 5.473 1.993) 6.119 8.643 ( -8.099 0.260 -2.469) 8.471 8.689 ( 0.036 -2.568 1.025) 2.765 9.036 ( 1.464 -4.201 -1.715) 4.768 9.238 ( -0.789 0.237 0.146) 0.837 9.495 ( 3.475 3.032 -0.315) 4.622 9.574 ( -4.375 3.236 1.544) 5.657 9.960 ( 2.137 -8.029 -0.456) 8.321 10.178 ( 2.072 4.838 2.533) 5.841 10.257 ( 0.544 0.701 -2.467) 2.622 10.650 ( 1.562 15.136 0.026) 15.217 11.107 ( -0.146 -0.480 -0.127) 0.518 11.299 ( 0.316 -1.718 1.300) 2.178 11.324 ( 0.465 2.638 -0.537) 2.732 11.583 ( -1.528 8.133 -1.210) 8.364 11.788 ( 3.161 8.177 0.204) 8.769 12.017 ( -1.029 -11.806 -0.027) 11.851 12.235 ( -5.842 1.891 0.350) 6.151 12.528 ( 1.488 -4.044 -0.558) 4.345 12.589 ( 2.201 1.116 -0.682) 2.560 12.599 ( 0.165 -0.811 0.396) 0.918 12.717 ( -0.356 0.680 1.893) 2.042 13.125 ( -0.361 -3.630 -0.115) 3.650 13.190 ( -1.215 0.232 -0.990) 1.585 13.343 ( -0.825 -9.303 1.073) 9.401 13.364 ( -0.497 0.766 0.859) 1.253 13.671 ( 0.249 -7.581 -1.277) 7.691 13.739 ( -2.969 3.468 -2.341) 5.131 13.966 ( 4.105 1.354 2.843) 5.174 14.304 ( -4.527 -3.047 -2.480) 5.995 14.732 ( -0.002 3.119 1.241) 3.357 17.226 ( -0.016 -4.902 -0.066) 4.903 17.248 ( -2.907 -0.613 0.805) 3.078 17.714 ( 1.417 -7.714 -0.701) 7.874 17.839 ( 0.481 10.918 -2.085) 11.125 18.339 ( 3.313 -2.855 4.634) 6.372 18.471 ( -2.213 -6.664 -2.733) 7.535 18.683 ( 0.484 3.696 -0.570) 3.771 18.930 ( 2.273 9.227 -0.134) 9.504 19.264 ( -2.547 -5.816 0.197) 6.352 19.410 ( 7.573 8.718 -0.569) 11.562 19.436 ( 2.188 -8.500 0.443) 8.788 19.805 ( -4.002 -3.694 0.483) 5.468 19.875 ( -4.658 -5.726 -0.825) 7.427 20.101 ( -5.857 9.404 0.034) 11.078 20.515 ( 0.160 6.031 -3.153) 6.808 21.194 ( 6.862 3.389 8.046) 11.105 22.046 ( 1.216 -11.337 -2.398) 11.652 22.203 ( 3.903 -5.432 1.879) 6.948 22.349 ( 0.027 4.628 -1.541) 4.878 22.453 ( -4.320 0.421 -1.631) 4.637 22.500 ( -3.822 1.021 -1.820) 4.355 23.539 ( 0.442 1.869 0.157) 1.927 23.648 ( 1.517 2.769 1.087) 3.339 24.262 ( -0.347 -0.413 0.187) 0.571 ======================= Grid point 23 (17/78) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 -4.536 -0.000) 4.536 1.449 ( -0.000 -5.441 -0.000) 5.441 1.536 ( 0.000 3.922 0.000) 3.922 1.814 ( 0.000 3.149 0.000) 3.149 1.833 ( -0.000 -1.378 -0.000) 1.378 1.875 ( -0.000 -0.745 -0.000) 0.745 2.014 ( 0.000 3.237 0.000) 3.237 2.198 ( 0.000 2.769 0.000) 2.769 2.216 ( 0.000 1.354 0.000) 1.354 2.279 ( 0.000 8.837 0.000) 8.837 2.381 ( -0.000 -4.045 -0.000) 4.045 2.442 ( 0.000 3.301 0.000) 3.301 2.454 ( -0.000 -2.104 -0.000) 2.104 2.591 ( 0.000 1.182 0.000) 1.182 2.733 ( 0.000 0.951 0.000) 0.951 2.816 ( 0.000 7.373 0.000) 7.373 2.959 ( 0.000 3.118 0.000) 3.118 3.160 ( 0.000 8.091 0.000) 8.091 3.187 ( -0.000 -8.344 -0.000) 8.344 3.214 ( -0.000 -6.052 -0.000) 6.052 3.648 ( 0.000 0.685 0.000) 0.685 3.773 ( 0.000 1.183 0.000) 1.183 3.916 ( 0.000 5.739 0.000) 5.739 3.974 ( -0.000 -1.259 -0.000) 1.259 4.097 ( 0.000 3.344 0.000) 3.344 4.149 ( -0.000 -6.358 -0.000) 6.358 4.215 ( -0.000 -11.350 -0.000) 11.350 4.372 ( 0.000 8.785 0.000) 8.785 4.508 ( 0.000 13.559 0.000) 13.559 4.745 ( -0.000 -10.389 -0.000) 10.389 4.825 ( 0.000 14.520 0.000) 14.520 5.018 ( -0.000 -3.722 -0.000) 3.722 5.109 ( 0.000 1.655 0.000) 1.655 5.279 ( -0.000 -4.948 -0.000) 4.948 5.330 ( 0.000 1.029 0.000) 1.029 5.397 ( -0.000 -5.732 -0.000) 5.732 5.855 ( -0.000 -6.706 -0.000) 6.706 5.894 ( 0.000 1.752 0.000) 1.752 6.172 ( -0.000 -1.482 -0.000) 1.482 6.243 ( 0.000 18.937 0.000) 18.937 6.455 ( 0.000 0.410 0.000) 0.410 6.492 ( -0.000 -3.305 -0.000) 3.305 6.559 ( 0.000 6.322 0.000) 6.322 6.850 ( -0.000 -5.273 -0.000) 5.273 7.234 ( 0.000 8.909 0.000) 8.909 7.361 ( -0.000 -13.802 -0.000) 13.802 7.683 ( 0.000 12.953 0.000) 12.953 7.850 ( -0.000 -2.235 -0.000) 2.235 7.890 ( 0.000 2.237 0.000) 2.237 7.898 ( -0.000 -8.721 -0.000) 8.721 7.993 ( 0.000 10.902 0.000) 10.902 8.142 ( -0.000 -4.041 -0.000) 4.041 8.301 ( 0.000 17.858 0.000) 17.858 8.467 ( -0.000 -6.985 -0.000) 6.985 8.702 ( -0.000 -12.328 -0.000) 12.328 8.757 ( -0.000 -1.182 -0.000) 1.182 9.164 ( -0.000 -9.086 -0.000) 9.086 9.218 ( 0.000 1.234 0.000) 1.234 9.449 ( 0.000 4.505 0.000) 4.505 9.486 ( 0.000 3.522 0.000) 3.522 10.031 ( -0.000 -2.428 -0.000) 2.428 10.049 ( 0.000 12.658 0.000) 12.658 10.395 ( -0.000 -12.873 -0.000) 12.873 10.409 ( 0.000 11.628 0.000) 11.628 11.071 ( 0.000 2.956 0.000) 2.956 11.281 ( 0.000 1.783 0.000) 1.783 11.369 ( -0.000 -3.195 -0.000) 3.195 11.405 ( 0.000 10.295 0.000) 10.295 11.706 ( 0.000 1.915 0.000) 1.915 12.191 ( -0.000 -0.459 -0.000) 0.459 12.266 ( -0.000 -16.108 -0.000) 16.108 12.350 ( 0.000 15.345 0.000) 15.345 12.558 ( 0.000 2.029 0.000) 2.029 12.760 ( -0.000 -10.267 -0.000) 10.267 12.797 ( -0.000 -5.094 -0.000) 5.094 13.186 ( -0.000 -4.561 -0.000) 4.561 13.201 ( -0.000 -1.699 -0.000) 1.699 13.368 ( -0.000 -1.287 -0.000) 1.287 13.503 ( -0.000 -8.140 -0.000) 8.140 13.683 ( 0.000 2.788 0.000) 2.788 13.709 ( -0.000 -2.309 -0.000) 2.309 14.135 ( -0.000 -14.306 -0.000) 14.306 14.306 ( -0.000 -0.868 -0.000) 0.868 14.683 ( 0.000 3.199 0.000) 3.199 17.252 ( -0.000 -1.021 -0.000) 1.021 17.337 ( -0.000 -8.570 -0.000) 8.570 17.636 ( 0.000 11.594 0.000) 11.594 17.877 ( -0.000 -9.462 -0.000) 9.462 18.390 ( -0.000 -0.111 -0.000) 0.111 18.499 ( 0.000 1.864 0.000) 1.864 18.638 ( 0.000 2.464 0.000) 2.464 18.739 ( 0.000 11.366 0.000) 11.366 19.184 ( 0.000 13.535 0.000) 13.535 19.383 ( -0.000 -8.073 -0.000) 8.073 19.662 ( -0.000 -11.350 -0.000) 11.350 19.878 ( 0.000 5.108 0.000) 5.108 19.942 ( -0.000 -1.726 -0.000) 1.726 20.029 ( -0.000 -14.862 -0.000) 14.862 20.417 ( 0.000 3.843 0.000) 3.843 21.192 ( 0.000 2.302 0.000) 2.302 22.200 ( 0.000 10.431 0.000) 10.431 22.216 ( -0.000 -8.062 -0.000) 8.062 22.321 ( -0.000 -3.567 -0.000) 3.567 22.406 ( 0.000 5.056 0.000) 5.056 22.465 ( -0.000 -2.656 -0.000) 2.656 23.506 ( 0.000 2.181 0.000) 2.181 23.610 ( 0.000 2.747 0.000) 2.747 24.271 ( -0.000 -0.815 -0.000) 0.815 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 1.427 -0.000 0.989) 1.736 0.989 ( -1.322 0.000 -0.362) 1.370 1.459 ( 12.051 -0.000 9.641) 15.433 1.513 ( -1.445 0.000 -1.170) 1.859 1.587 ( -1.632 0.000 0.192) 1.643 1.707 ( -7.310 0.000 -1.655) 7.495 1.855 ( -8.086 0.000 -5.081) 9.549 2.025 ( 3.271 -0.000 -2.340) 4.021 2.101 ( -4.315 0.000 1.310) 4.509 2.194 ( 1.769 -0.000 -2.817) 3.327 2.281 ( -0.883 0.000 0.920) 1.275 2.290 ( -1.880 0.000 -2.922) 3.475 2.505 ( -7.508 0.000 12.339) 14.444 2.693 ( -3.305 0.000 1.506) 3.632 2.814 ( 2.257 -0.000 -2.311) 3.230 2.818 ( -2.998 0.000 -1.963) 3.583 2.953 ( 5.848 -0.000 0.157) 5.850 3.299 ( -2.855 0.000 0.768) 2.957 3.373 ( 15.596 -0.000 6.282) 16.813 3.452 ( 2.167 -0.000 -4.172) 4.701 3.520 ( 28.742 -0.000 2.559) 28.856 3.612 ( 19.500 -0.000 -0.016) 19.500 3.809 ( 4.955 -0.000 -3.964) 6.345 4.031 ( 4.202 -0.000 -1.056) 4.333 4.032 ( -8.845 0.000 -4.394) 9.877 4.256 ( -5.841 0.000 -0.501) 5.862 4.378 ( -1.642 0.000 1.744) 2.395 4.398 ( -2.449 0.000 0.441) 2.488 4.534 ( -4.005 0.000 -2.823) 4.900 4.589 ( 5.550 -0.000 2.062) 5.921 4.661 ( 0.905 -0.000 -0.117) 0.913 4.892 ( 0.687 -0.000 4.576) 4.627 5.143 ( -3.708 0.000 2.027) 4.226 5.195 ( -9.143 0.000 0.131) 9.144 5.420 ( -3.696 0.000 -4.337) 5.698 5.759 ( -3.326 0.000 -1.263) 3.558 5.940 ( 6.058 -0.000 2.047) 6.395 6.040 ( 3.792 -0.000 -2.293) 4.431 6.046 ( 0.582 -0.000 -1.694) 1.791 6.131 ( -6.954 0.000 2.634) 7.437 6.525 ( 2.147 -0.000 -0.114) 2.150 6.549 ( 10.100 -0.000 0.903) 10.141 6.750 ( -3.030 0.000 -2.770) 4.105 6.909 ( -6.685 0.000 -1.791) 6.921 7.036 ( -2.862 0.000 0.111) 2.864 7.275 ( -0.136 0.000 2.529) 2.532 7.334 ( -0.380 0.000 0.729) 0.822 7.412 ( -2.549 0.000 0.021) 2.549 7.705 ( 4.016 -0.000 0.124) 4.018 7.814 ( -1.932 0.000 -0.139) 1.937 8.292 ( 4.727 -0.000 -0.041) 4.727 8.454 ( -0.986 0.000 1.394) 1.708 8.482 ( 7.082 -0.000 -0.122) 7.084 8.550 ( -4.078 0.000 -2.541) 4.805 8.612 ( 14.080 -0.000 1.366) 14.146 8.977 ( 5.838 -0.000 -0.363) 5.849 9.088 ( -9.167 0.000 -0.707) 9.194 9.221 ( 1.479 -0.000 0.464) 1.550 9.362 ( -6.708 0.000 -0.968) 6.778 9.633 ( -3.461 0.000 3.255) 4.751 9.955 ( -2.465 0.000 -0.053) 2.466 10.394 ( 7.296 -0.000 0.050) 7.296 10.530 ( -0.745 0.000 -0.268) 0.792 10.814 ( 7.881 -0.000 -3.931) 8.807 10.866 ( 9.044 -0.000 3.947) 9.868 11.386 ( -5.654 0.000 -0.803) 5.710 11.499 ( -3.853 0.000 -2.535) 4.612 11.667 ( 13.355 -0.000 -0.270) 13.358 11.795 ( -2.344 0.000 0.510) 2.398 12.134 ( -0.619 0.000 -0.256) 0.670 12.256 ( 8.258 -0.000 -2.114) 8.525 12.381 ( 1.644 -0.000 -0.534) 1.728 12.442 ( 1.761 -0.000 -0.095) 1.763 12.689 ( -4.156 0.000 0.513) 4.188 12.742 ( -3.699 0.000 1.463) 3.977 12.980 ( -16.995 0.000 -0.832) 17.015 13.072 ( -15.583 0.000 0.239) 15.585 13.101 ( -2.255 0.000 -1.158) 2.535 13.384 ( -3.629 0.000 2.555) 4.438 13.511 ( -0.847 0.000 -0.360) 0.920 14.010 ( 1.484 -0.000 -4.747) 4.973 14.076 ( 6.402 -0.000 -2.772) 6.976 14.402 ( -7.221 0.000 6.578) 9.768 14.927 ( -1.764 0.000 -0.161) 1.771 16.975 ( 0.618 -0.000 0.246) 0.665 17.354 ( -9.067 0.000 -6.092) 10.924 17.727 ( 1.287 -0.000 1.710) 2.140 17.989 ( 0.430 -0.000 -3.716) 3.741 18.065 ( -1.954 0.000 8.571) 8.791 18.235 ( 2.425 -0.000 2.225) 3.291 18.815 ( 12.497 -0.000 -1.640) 12.604 18.889 ( 11.805 -0.000 -4.570) 12.659 19.114 ( 2.405 -0.000 1.060) 2.628 19.255 ( -7.490 0.000 0.851) 7.538 19.467 ( -14.887 0.000 -1.528) 14.965 19.616 ( -5.284 0.000 -0.663) 5.325 20.607 ( -3.470 0.000 0.038) 3.470 20.647 ( 8.464 -0.000 -1.768) 8.646 20.660 ( -2.907 0.000 -0.032) 2.907 21.154 ( 9.425 -0.000 11.808) 15.108 21.441 ( 1.424 -0.000 -0.633) 1.558 21.708 ( 2.091 -0.000 -5.180) 5.586 22.505 ( -9.794 0.000 -6.498) 11.754 22.515 ( 1.206 -0.000 -0.089) 1.210 22.567 ( 2.623 -0.000 0.076) 2.624 23.577 ( 1.676 -0.000 0.947) 1.925 23.729 ( 3.185 -0.000 0.752) 3.273 24.268 ( -2.294 0.000 1.853) 2.949 ======================= Grid point 29 (19/78) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.148 -3.130 0.986) 3.477 1.014 ( -1.536 -5.696 -0.527) 5.923 1.548 ( 2.523 -5.124 -0.927) 5.786 1.562 ( 0.004 -0.670 -1.014) 1.215 1.717 ( -2.786 -15.392 2.743) 15.881 1.750 ( -4.816 -1.200 -1.145) 5.094 1.882 ( -2.791 -14.218 -0.397) 14.495 2.073 ( 2.463 -2.715 -0.374) 3.685 2.164 ( -2.938 -14.105 0.959) 14.440 2.192 ( -0.252 -1.004 -3.008) 3.181 2.253 ( 0.014 1.266 -0.022) 1.266 2.287 ( -1.047 -0.428 0.456) 1.220 2.533 ( 0.210 -4.819 5.811) 7.552 2.657 ( -2.209 1.445 3.336) 4.254 2.756 ( -2.284 0.264 -2.259) 3.224 2.822 ( 1.468 1.719 -1.794) 2.886 3.026 ( 5.915 -0.085 -0.091) 5.916 3.139 ( -1.616 11.120 0.772) 11.263 3.360 ( 5.115 11.075 -0.461) 12.208 3.412 ( 13.734 13.890 2.393) 19.679 3.715 ( 4.264 -1.500 2.451) 5.142 3.805 ( 3.061 -0.961 -4.918) 5.872 3.883 ( 8.344 -2.399 1.412) 8.796 3.964 ( -1.901 -1.681 -3.568) 4.378 4.137 ( -8.636 4.185 -1.193) 9.671 4.170 ( 4.051 -4.626 -1.198) 6.264 4.313 ( -3.170 5.455 1.854) 6.576 4.376 ( -3.111 -2.675 -0.440) 4.127 4.544 ( 4.843 -6.928 0.983) 8.510 4.601 ( 1.665 3.356 0.347) 3.763 4.747 ( -3.437 -8.492 -0.483) 9.174 4.920 ( 3.012 0.860 -0.006) 3.132 5.097 ( -3.393 0.951 2.120) 4.112 5.169 ( -3.507 -3.867 0.234) 5.225 5.356 ( -0.256 2.855 -1.009) 3.039 5.651 ( -1.766 7.974 -0.259) 8.172 5.964 ( -0.394 7.767 -1.114) 7.856 6.036 ( 4.734 -3.861 1.124) 6.211 6.095 ( 0.265 -3.263 -1.647) 3.664 6.147 ( -1.410 -6.270 0.821) 6.479 6.476 ( 2.991 8.746 1.528) 9.369 6.616 ( -3.940 -3.670 -0.489) 5.407 6.783 ( 3.072 -2.428 -0.888) 4.015 6.890 ( -5.693 -4.511 -1.380) 7.394 7.067 ( 7.111 1.157 -3.029) 7.816 7.188 ( -6.792 -2.657 4.250) 8.441 7.433 ( -0.214 -5.886 1.013) 5.977 7.473 ( 0.404 -8.416 -0.185) 8.428 7.756 ( 4.369 3.115 -0.473) 5.387 7.809 ( -1.163 -6.026 0.404) 6.150 8.287 ( 1.511 4.732 0.082) 4.968 8.383 ( -0.436 7.215 0.465) 7.244 8.481 ( 2.944 0.736 -1.633) 3.446 8.524 ( -1.428 0.470 0.797) 1.702 8.716 ( -0.707 7.429 -1.282) 7.572 8.936 ( 1.224 -0.550 -0.166) 1.352 9.034 ( 1.713 4.311 0.899) 4.725 9.246 ( 1.348 0.535 -0.739) 1.628 9.359 ( -3.009 -7.939 0.532) 8.507 9.622 ( -2.112 -0.256 1.310) 2.498 9.875 ( -0.589 5.445 0.102) 5.478 10.384 ( 4.045 6.826 0.902) 7.986 10.475 ( -0.418 5.177 -1.242) 5.341 10.872 ( 1.612 -1.949 -1.054) 2.739 11.013 ( 9.268 -2.729 1.911) 9.848 11.310 ( -5.623 1.193 -1.146) 5.861 11.441 ( -1.664 2.465 -0.920) 3.113 11.763 ( 7.074 2.389 -0.272) 7.472 11.801 ( -1.024 -1.787 0.413) 2.100 12.170 ( 6.893 9.469 0.039) 11.712 12.188 ( 1.231 -3.645 -0.253) 3.856 12.420 ( -7.099 0.759 -1.721) 7.344 12.452 ( -0.314 -0.332 0.740) 0.869 12.599 ( -0.480 1.477 0.953) 1.822 12.830 ( -1.259 -9.009 1.012) 9.152 12.862 ( -9.604 -1.844 -0.520) 9.793 13.037 ( -5.677 -9.550 -1.473) 11.207 13.123 ( -0.872 -4.172 0.363) 4.278 13.356 ( -2.357 0.063 1.095) 2.600 13.491 ( -0.379 1.132 -0.208) 1.212 13.983 ( -0.338 4.853 -0.407) 4.882 14.112 ( 8.521 1.133 -5.033) 9.961 14.301 ( -8.301 4.530 4.728) 10.573 14.872 ( -0.822 4.207 0.203) 4.291 17.028 ( 0.243 -5.170 0.529) 5.203 17.265 ( -4.235 0.687 -3.061) 5.270 17.678 ( 0.263 4.999 1.303) 5.173 18.010 ( 0.225 -2.038 -2.330) 3.104 18.151 ( 1.727 -6.466 3.848) 7.720 18.267 ( -0.794 -1.872 0.683) 2.145 18.865 ( 9.121 5.894 -2.208) 11.082 19.019 ( 10.683 -2.146 -0.704) 10.919 19.172 ( -6.870 -1.955 -0.148) 7.145 19.183 ( -2.369 -2.256 0.698) 3.345 19.363 ( -4.191 -4.020 0.190) 5.810 19.600 ( -6.292 -3.684 -0.897) 7.346 20.415 ( -0.687 19.895 0.429) 19.911 20.483 ( -2.016 11.010 -0.067) 11.193 20.677 ( 1.650 2.498 -2.790) 4.092 21.308 ( 8.653 1.167 11.741) 14.632 21.560 ( -0.579 -13.234 -2.748) 13.529 21.828 ( 0.192 -12.406 -2.882) 12.738 22.406 ( -5.288 0.020 -4.213) 6.761 22.513 ( 0.295 1.521 -0.332) 1.584 22.569 ( 1.006 1.879 0.169) 2.138 23.586 ( 0.920 0.753 0.500) 1.290 23.738 ( 1.718 1.912 0.478) 2.615 24.255 ( -1.054 -0.051 0.736) 1.287 ======================= Grid point 30 (20/78) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.000 -2.815 -0.000) 2.815 1.155 ( -0.000 -10.003 -0.000) 10.003 1.573 ( -0.000 -0.379 -0.000) 0.379 1.616 ( -0.000 -3.473 -0.000) 3.473 1.789 ( -0.000 -3.359 -0.000) 3.359 1.898 ( -0.000 -4.293 -0.000) 4.293 2.080 ( -0.000 -11.540 -0.000) 11.540 2.142 ( -0.000 -4.144 -0.000) 4.144 2.210 ( -0.000 -5.303 -0.000) 5.303 2.236 ( 0.000 0.779 0.000) 0.779 2.290 ( -0.000 -0.623 -0.000) 0.623 2.515 ( -0.000 -16.566 -0.000) 16.566 2.555 ( 0.000 3.170 0.000) 3.170 2.651 ( 0.000 1.369 0.000) 1.369 2.791 ( -0.000 -1.691 -0.000) 1.691 2.864 ( -0.000 -12.521 -0.000) 12.521 2.879 ( 0.000 14.020 0.000) 14.020 3.150 ( -0.000 -8.326 -0.000) 8.326 3.157 ( 0.000 13.240 0.000) 13.240 3.245 ( 0.000 13.592 0.000) 13.592 3.757 ( 0.000 2.783 0.000) 2.783 3.759 ( -0.000 -0.807 -0.000) 0.807 3.904 ( 0.000 5.624 0.000) 5.624 3.974 ( -0.000 -1.176 -0.000) 1.176 4.073 ( -0.000 -2.284 -0.000) 2.284 4.182 ( 0.000 6.706 0.000) 6.706 4.208 ( 0.000 0.091 0.000) 0.091 4.433 ( -0.000 -3.338 -0.000) 3.338 4.519 ( 0.000 3.144 0.000) 3.144 4.764 ( -0.000 -6.710 -0.000) 6.710 4.869 ( -0.000 -8.590 -0.000) 8.590 4.923 ( -0.000 -0.907 -0.000) 0.907 5.088 ( -0.000 -1.531 -0.000) 1.531 5.201 ( 0.000 0.039 0.000) 0.039 5.315 ( 0.000 1.372 0.000) 1.372 5.495 ( 0.000 8.122 0.000) 8.122 5.829 ( 0.000 5.762 0.000) 5.762 6.113 ( -0.000 -2.179 -0.000) 2.179 6.117 ( 0.000 5.265 0.000) 5.265 6.290 ( -0.000 -9.533 -0.000) 9.533 6.365 ( 0.000 0.216 0.000) 0.216 6.687 ( -0.000 -5.671 -0.000) 5.671 6.767 ( 0.000 5.414 0.000) 5.414 6.882 ( 0.000 15.393 0.000) 15.393 6.974 ( -0.000 -8.313 -0.000) 8.313 7.439 ( -0.000 -18.641 -0.000) 18.641 7.550 ( 0.000 4.198 0.000) 4.198 7.553 ( -0.000 -8.745 -0.000) 8.745 7.752 ( -0.000 -2.945 -0.000) 2.945 7.982 ( -0.000 -12.497 -0.000) 12.497 8.158 ( 0.000 10.490 0.000) 10.490 8.253 ( 0.000 5.871 0.000) 5.871 8.470 ( 0.000 13.762 0.000) 13.762 8.488 ( -0.000 -0.590 -0.000) 0.590 8.560 ( -0.000 -4.765 -0.000) 4.765 8.887 ( 0.000 13.607 0.000) 13.607 8.995 ( -0.000 -2.371 -0.000) 2.371 9.236 ( 0.000 0.361 0.000) 0.361 9.502 ( -0.000 -6.174 -0.000) 6.174 9.598 ( 0.000 2.084 0.000) 2.084 9.838 ( -0.000 -3.365 -0.000) 3.365 10.289 ( 0.000 6.153 0.000) 6.153 10.350 ( 0.000 8.002 0.000) 8.002 10.854 ( 0.000 6.272 0.000) 6.272 11.102 ( -0.000 -1.238 -0.000) 1.238 11.267 ( -0.000 -0.844 -0.000) 0.844 11.381 ( 0.000 3.318 0.000) 3.318 11.699 ( 0.000 7.356 0.000) 7.356 11.857 ( -0.000 -6.139 -0.000) 6.139 12.014 ( 0.000 12.946 0.000) 12.946 12.228 ( 0.000 0.760 0.000) 0.760 12.410 ( -0.000 -7.213 -0.000) 7.213 12.487 ( -0.000 -4.456 -0.000) 4.456 12.647 ( -0.000 -3.689 -0.000) 3.689 12.766 ( 0.000 5.640 0.000) 5.640 13.014 ( -0.000 -9.952 -0.000) 9.952 13.162 ( -0.000 -4.402 -0.000) 4.402 13.203 ( -0.000 -5.565 -0.000) 5.565 13.363 ( -0.000 -1.515 -0.000) 1.515 13.507 ( -0.000 -5.927 -0.000) 5.927 13.841 ( 0.000 9.437 0.000) 9.437 14.110 ( 0.000 9.121 0.000) 9.121 14.210 ( -0.000 -4.060 -0.000) 4.060 14.793 ( 0.000 4.131 0.000) 4.131 17.134 ( -0.000 -6.032 -0.000) 6.032 17.231 ( 0.000 0.264 0.000) 0.264 17.637 ( -0.000 -0.922 -0.000) 0.922 17.987 ( 0.000 5.477 0.000) 5.477 18.299 ( -0.000 -6.297 -0.000) 6.297 18.316 ( -0.000 -6.525 -0.000) 6.525 18.787 ( 0.000 7.029 0.000) 7.029 19.073 ( 0.000 4.775 0.000) 4.775 19.161 ( -0.000 -3.391 -0.000) 3.391 19.249 ( -0.000 -9.409 -0.000) 9.409 19.542 ( -0.000 -12.770 -0.000) 12.770 19.590 ( -0.000 -0.074 -0.000) 0.074 20.038 ( 0.000 20.387 0.000) 20.387 20.267 ( 0.000 12.127 0.000) 12.127 20.611 ( 0.000 5.194 0.000) 5.194 21.314 ( 0.000 4.310 0.000) 4.310 21.813 ( -0.000 -15.265 -0.000) 15.265 22.053 ( -0.000 -12.631 -0.000) 12.631 22.383 ( -0.000 -1.159 -0.000) 1.159 22.456 ( 0.000 5.006 0.000) 5.006 22.536 ( 0.000 2.437 0.000) 2.437 23.572 ( 0.000 1.497 0.000) 1.497 23.706 ( 0.000 2.753 0.000) 2.753 24.254 ( -0.000 -0.265 -0.000) 0.265 ======================= Grid point 39 (21/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -0.000 0.000) 0.000 0.945 ( -0.000 0.000 -0.000) 0.000 1.431 ( 0.000 -0.000 0.000) 0.000 1.559 ( 0.000 -0.000 0.000) 0.000 1.661 ( 0.000 -0.000 0.000) 0.000 1.677 ( -0.000 0.000 -0.000) 0.000 1.686 ( 0.000 -0.000 0.000) 0.000 2.055 ( 0.000 -0.000 0.000) 0.000 2.070 ( 0.000 -0.000 -0.000) 0.000 2.178 ( 0.000 -0.000 0.000) 0.000 2.270 ( 0.000 -0.000 0.000) 0.000 2.275 ( 0.000 -0.000 -0.000) 0.000 2.474 ( 0.000 -0.000 0.000) 0.000 2.647 ( 0.000 -0.000 -0.000) 0.000 2.770 ( 0.000 -0.000 0.000) 0.000 2.835 ( 0.000 -0.000 0.000) 0.000 3.041 ( 0.000 -0.000 0.000) 0.000 3.265 ( -0.000 0.000 0.000) 0.000 3.432 ( 0.000 -0.000 0.000) 0.000 3.709 ( 0.000 -0.000 0.000) 0.000 3.728 ( -0.000 0.000 -0.000) 0.000 3.835 ( 0.000 -0.000 -0.000) 0.000 3.842 ( 0.000 -0.000 0.000) 0.000 4.024 ( 0.000 -0.000 -0.000) 0.000 4.093 ( -0.000 0.000 0.000) 0.000 4.180 ( 0.000 -0.000 0.000) 0.000 4.252 ( -0.000 0.000 0.000) 0.000 4.356 ( 0.000 -0.000 0.000) 0.000 4.476 ( 0.000 -0.000 0.000) 0.000 4.645 ( 0.000 -0.000 0.000) 0.000 4.669 ( 0.000 -0.000 0.000) 0.000 4.963 ( 0.000 -0.000 0.000) 0.000 5.075 ( 0.000 -0.000 -0.000) 0.000 5.105 ( 0.000 -0.000 0.000) 0.000 5.374 ( 0.000 -0.000 0.000) 0.000 5.725 ( 0.000 -0.000 -0.000) 0.000 6.014 ( 0.000 -0.000 0.000) 0.000 6.034 ( 0.000 -0.000 0.000) 0.000 6.047 ( 0.000 -0.000 -0.000) 0.000 6.099 ( 0.000 -0.000 0.000) 0.000 6.558 ( 0.000 -0.000 -0.000) 0.000 6.695 ( -0.000 0.000 0.000) 0.000 6.700 ( 0.000 -0.000 0.000) 0.000 6.793 ( 0.000 -0.000 0.000) 0.000 6.985 ( 0.000 -0.000 0.000) 0.000 7.286 ( -0.000 0.000 -0.000) 0.000 7.339 ( 0.000 -0.000 0.000) 0.000 7.382 ( 0.000 -0.000 0.000) 0.000 7.740 ( 0.000 -0.000 0.000) 0.000 7.817 ( 0.000 -0.000 -0.000) 0.000 8.334 ( 0.000 -0.000 -0.000) 0.000 8.451 ( 0.000 -0.000 0.000) 0.000 8.468 ( 0.000 -0.000 0.000) 0.000 8.558 ( 0.000 -0.000 0.000) 0.000 8.857 ( -0.000 0.000 0.000) 0.000 8.903 ( 0.000 -0.000 0.000) 0.000 9.057 ( 0.000 -0.000 0.000) 0.000 9.249 ( -0.000 0.000 -0.000) 0.000 9.262 ( 0.000 -0.000 0.000) 0.000 9.618 ( 0.000 -0.000 0.000) 0.000 9.927 ( 0.000 -0.000 0.000) 0.000 10.485 ( -0.000 0.000 0.000) 0.000 10.509 ( 0.000 -0.000 0.000) 0.000 10.845 ( 0.000 -0.000 0.000) 0.000 11.051 ( -0.000 0.000 0.000) 0.000 11.280 ( 0.000 -0.000 0.000) 0.000 11.451 ( 0.000 -0.000 0.000) 0.000 11.773 ( 0.000 -0.000 0.000) 0.000 11.847 ( 0.000 -0.000 0.000) 0.000 12.121 ( 0.000 -0.000 0.000) 0.000 12.360 ( -0.000 0.000 0.000) 0.000 12.379 ( 0.000 -0.000 0.000) 0.000 12.472 ( 0.000 -0.000 -0.000) 0.000 12.605 ( 0.000 -0.000 0.000) 0.000 12.719 ( 0.000 -0.000 0.000) 0.000 12.785 ( 0.000 -0.000 0.000) 0.000 12.889 ( 0.000 -0.000 0.000) 0.000 13.081 ( 0.000 -0.000 0.000) 0.000 13.350 ( 0.000 -0.000 0.000) 0.000 13.501 ( 0.000 -0.000 0.000) 0.000 14.011 ( 0.000 -0.000 0.000) 0.000 14.167 ( -0.000 0.000 0.000) 0.000 14.313 ( 0.000 -0.000 -0.000) 0.000 14.908 ( 0.000 -0.000 0.000) 0.000 16.982 ( 0.000 -0.000 0.000) 0.000 17.244 ( 0.000 -0.000 0.000) 0.000 17.746 ( 0.000 -0.000 0.000) 0.000 17.981 ( 0.000 -0.000 -0.000) 0.000 18.077 ( 0.000 -0.000 0.000) 0.000 18.270 ( 0.000 -0.000 0.000) 0.000 19.013 ( 0.000 -0.000 0.000) 0.000 19.058 ( -0.000 0.000 0.000) 0.000 19.081 ( -0.000 0.000 0.000) 0.000 19.176 ( -0.000 0.000 0.000) 0.000 19.243 ( 0.000 -0.000 0.000) 0.000 19.550 ( 0.000 -0.000 0.000) 0.000 20.570 ( 0.000 -0.000 0.000) 0.000 20.630 ( 0.000 -0.000 0.000) 0.000 20.705 ( 0.000 -0.000 0.000) 0.000 21.393 ( -0.000 0.000 -0.000) 0.000 21.408 ( 0.000 -0.000 0.000) 0.000 21.691 ( 0.000 -0.000 -0.000) 0.000 22.369 ( 0.000 -0.000 0.000) 0.000 22.528 ( 0.000 -0.000 0.000) 0.000 22.595 ( 0.000 -0.000 0.000) 0.000 23.599 ( 0.000 -0.000 0.000) 0.000 23.764 ( 0.000 -0.000 0.000) 0.000 24.250 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 11.013 -0.000 25.879) 28.124 0.628 ( -4.545 0.000 23.721) 24.153 0.952 ( 1.621 -0.000 -1.549) 2.242 1.046 ( -4.549 0.000 6.148) 7.648 1.170 ( -6.678 0.000 50.091) 50.534 1.432 ( -5.530 0.000 -10.010) 11.436 1.604 ( 3.699 -0.000 -8.082) 8.888 1.878 ( 7.565 -0.000 -2.422) 7.943 1.937 ( -2.974 0.000 0.313) 2.990 2.072 ( 7.678 -0.000 4.071) 8.690 2.163 ( -3.911 0.000 -1.020) 4.042 2.279 ( 1.286 -0.000 1.026) 1.645 2.330 ( -1.801 0.000 -0.351) 1.835 2.725 ( 6.136 -0.000 -1.684) 6.362 2.824 ( -5.334 0.000 -0.119) 5.336 2.938 ( 3.924 -0.000 -15.235) 15.732 3.059 ( -6.078 0.000 -1.202) 6.196 3.177 ( 6.618 -0.000 4.180) 7.828 3.241 ( -1.162 0.000 -10.005) 10.072 3.339 ( 1.023 -0.000 1.295) 1.650 3.373 ( -4.254 0.000 4.284) 6.037 3.482 ( -2.274 0.000 -2.599) 3.453 3.615 ( -5.426 0.000 5.327) 7.604 3.833 ( 12.911 -0.000 -4.309) 13.611 4.023 ( 5.558 -0.000 -4.606) 7.219 4.040 ( -6.175 0.000 -7.063) 9.382 4.269 ( 3.831 -0.000 0.223) 3.838 4.353 ( -3.003 0.000 0.118) 3.006 4.401 ( -4.656 0.000 1.137) 4.793 4.665 ( 4.280 -0.000 3.813) 5.733 4.859 ( -0.927 0.000 -3.003) 3.143 5.251 ( -1.066 0.000 -1.684) 1.993 5.389 ( 5.368 -0.000 -0.942) 5.450 5.642 ( -1.372 0.000 1.195) 1.819 5.737 ( -1.339 0.000 1.168) 1.777 5.971 ( 2.615 -0.000 1.288) 2.915 6.025 ( -1.627 0.000 -0.386) 1.672 6.059 ( 5.735 -0.000 0.238) 5.740 6.257 ( 0.608 -0.000 1.064) 1.225 6.347 ( -0.726 0.000 -4.101) 4.165 6.487 ( 0.130 -0.000 0.145) 0.195 6.556 ( 4.070 -0.000 0.117) 4.072 6.693 ( -0.965 0.000 0.624) 1.149 6.713 ( -4.810 0.000 5.211) 7.092 6.778 ( 0.877 -0.000 -3.136) 3.256 7.055 ( 0.924 -0.000 -1.251) 1.555 7.182 ( -0.094 0.000 2.084) 2.086 7.504 ( 0.165 -0.000 -3.252) 3.256 7.789 ( -0.086 0.000 5.402) 5.403 7.904 ( -3.974 0.000 -0.338) 3.988 7.976 ( -0.156 0.000 1.045) 1.057 8.001 ( -0.527 0.000 -2.094) 2.160 8.178 ( -0.171 0.000 0.190) 0.256 8.218 ( 1.185 -0.000 -0.251) 1.211 8.429 ( -8.978 0.000 -0.583) 8.997 9.119 ( 0.978 -0.000 -0.413) 1.061 9.278 ( 11.334 -0.000 -2.319) 11.568 9.609 ( 2.697 -0.000 1.293) 2.991 9.676 ( -2.176 0.000 -0.799) 2.318 9.779 ( 1.485 -0.000 1.364) 2.016 9.826 ( -5.608 0.000 4.367) 7.107 9.899 ( -1.659 0.000 1.376) 2.155 10.066 ( -9.201 0.000 -2.427) 9.516 10.579 ( 0.667 -0.000 -1.831) 1.949 10.791 ( -8.995 0.000 1.975) 9.210 11.006 ( 12.135 -0.000 -4.093) 12.807 11.263 ( -1.461 0.000 3.223) 3.539 11.552 ( -0.777 0.000 2.707) 2.817 11.732 ( -0.678 0.000 -0.265) 0.728 12.002 ( 0.879 -0.000 -1.667) 1.884 12.154 ( -0.128 0.000 -3.047) 3.049 12.272 ( 0.969 -0.000 1.137) 1.494 12.346 ( -0.869 0.000 -0.169) 0.885 12.687 ( 0.134 -0.000 -0.276) 0.307 12.958 ( -1.072 0.000 3.420) 3.584 13.404 ( -2.988 0.000 -1.460) 3.326 13.457 ( 4.079 -0.000 0.705) 4.139 13.590 ( -0.832 0.000 1.611) 1.813 13.764 ( -2.072 0.000 -0.693) 2.185 13.768 ( 0.150 -0.000 -2.406) 2.411 13.821 ( 0.896 -0.000 -1.158) 1.464 14.379 ( 4.221 -0.000 4.512) 6.179 14.747 ( -28.373 0.000 -3.595) 28.600 15.041 ( -1.995 0.000 -0.041) 1.996 16.966 ( -0.922 0.000 3.908) 4.015 17.503 ( 2.865 -0.000 -7.706) 8.221 17.969 ( -0.490 0.000 -1.490) 1.568 18.180 ( 0.608 -0.000 -1.517) 1.634 18.215 ( -1.479 0.000 6.643) 6.805 18.349 ( -0.591 0.000 -0.132) 0.606 18.585 ( -2.074 0.000 1.072) 2.335 19.003 ( 0.351 -0.000 -0.355) 0.500 19.043 ( -2.955 0.000 1.061) 3.139 19.378 ( 36.394 -0.000 0.939) 36.406 19.459 ( 0.149 -0.000 0.259) 0.298 19.823 ( 0.105 -0.000 -0.838) 0.845 20.060 ( -6.049 0.000 -0.756) 6.096 20.216 ( -23.863 0.000 -6.985) 24.864 20.805 ( 0.098 -0.000 -0.261) 0.279 20.877 ( -0.012 0.000 -0.055) 0.057 21.163 ( -1.795 0.000 6.265) 6.517 21.376 ( 0.229 -0.000 0.579) 0.623 22.382 ( -0.076 0.000 0.231) 0.243 22.447 ( -0.030 0.000 0.112) 0.116 22.893 ( 13.160 -0.000 -1.509) 13.246 23.418 ( 1.262 -0.000 1.374) 1.866 23.474 ( -0.880 0.000 -0.619) 1.076 24.627 ( 1.378 -0.000 -0.024) 1.379 ======================= Grid point 70 (23/78) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.759 -11.126 3.044) 12.132 1.064 ( 5.619 -11.874 4.149) 13.776 1.152 ( 12.017 -19.528 11.193) 25.516 1.267 ( 1.242 -13.236 22.542) 26.171 1.451 ( 6.010 -14.783 2.198) 16.108 1.537 ( 0.639 -26.175 8.169) 27.427 1.812 ( -0.949 -6.882 -2.322) 7.325 1.897 ( 6.983 3.733 -0.942) 7.974 1.997 ( 8.322 -14.363 -0.199) 16.601 2.132 ( -2.576 -2.032 -2.246) 3.976 2.167 ( 8.162 -1.212 2.694) 8.680 2.330 ( -0.591 -1.980 -0.257) 2.082 2.385 ( 3.714 -8.001 -2.337) 9.126 2.735 ( -7.786 4.945 0.619) 9.244 2.750 ( 4.448 2.702 -0.992) 5.298 2.816 ( -2.512 7.771 -11.392) 14.017 2.923 ( -1.437 3.210 -0.759) 3.598 3.141 ( -4.137 6.036 0.351) 7.326 3.205 ( -2.536 -0.328 -7.870) 8.275 3.296 ( 4.082 3.096 0.166) 5.126 3.384 ( -3.069 1.515 -4.730) 5.839 3.542 ( -1.534 -1.030 -0.725) 1.985 3.593 ( -6.126 -13.539 6.021) 16.034 3.934 ( 0.694 0.743 -5.969) 6.055 3.960 ( 9.575 1.455 4.986) 10.893 4.132 ( 2.916 -2.385 -5.820) 6.933 4.311 ( 0.106 1.701 0.499) 1.776 4.334 ( 4.326 -1.921 -1.581) 4.991 4.356 ( -1.544 1.560 1.002) 2.413 4.715 ( -1.126 -1.953 3.044) 3.788 4.787 ( -7.400 2.520 -2.131) 8.102 5.222 ( 3.081 2.592 -1.385) 4.258 5.353 ( 1.118 7.887 0.533) 7.984 5.514 ( -5.632 14.221 4.548) 15.958 5.662 ( -0.497 -0.006 1.528) 1.607 5.828 ( -7.713 6.732 2.022) 10.435 5.879 ( -8.063 20.194 12.858) 25.261 6.011 ( -1.186 1.902 -0.848) 2.396 6.127 ( -0.531 -5.458 -1.126) 5.598 6.263 ( -1.436 -3.390 2.717) 4.576 6.457 ( 1.254 6.249 0.256) 6.378 6.504 ( 5.770 10.017 1.025) 11.605 6.702 ( -3.085 0.956 2.192) 3.904 6.757 ( 4.586 -14.239 -1.875) 15.076 6.933 ( 5.937 -2.216 -4.656) 7.864 7.115 ( 1.479 -5.286 -1.838) 5.789 7.245 ( 5.464 -3.509 2.065) 6.814 7.558 ( -1.169 -2.935 -2.221) 3.862 7.818 ( -3.760 3.732 -0.785) 5.356 7.884 ( 3.238 -4.731 6.521) 8.682 7.969 ( 4.803 -1.842 -1.198) 5.282 8.091 ( 4.660 -3.443 -3.371) 6.703 8.224 ( -3.487 -6.196 0.956) 7.173 8.324 ( 4.364 -1.730 2.800) 5.466 8.669 ( -0.648 -20.350 -5.045) 20.976 9.067 ( 0.862 19.504 0.007) 19.523 9.106 ( -6.760 -1.675 -0.797) 7.010 9.549 ( -5.917 5.706 0.223) 8.223 9.615 ( -4.257 -0.160 -0.390) 4.278 9.687 ( 6.490 10.826 2.779) 12.925 9.744 ( 4.885 7.517 2.869) 9.413 10.031 ( 9.442 -4.685 -0.827) 10.573 10.100 ( -0.536 -6.437 -0.986) 6.534 10.694 ( -0.541 -3.819 -3.387) 5.133 10.785 ( -6.669 -6.236 1.487) 9.250 11.140 ( 14.917 0.378 -6.583) 16.309 11.305 ( 0.860 -2.520 2.812) 3.873 11.541 ( 0.118 1.816 2.589) 3.164 11.706 ( -0.782 1.745 -1.364) 2.349 11.993 ( -0.701 0.195 -1.013) 1.247 12.215 ( -0.613 -0.411 -1.459) 1.635 12.352 ( 0.973 -2.238 0.690) 2.536 12.567 ( 2.137 -21.301 -15.625) 26.503 12.705 ( 1.164 -5.390 -4.839) 7.336 13.009 ( -1.424 -5.916 2.156) 6.456 13.286 ( -4.399 7.314 -0.617) 8.558 13.455 ( 2.073 4.371 -0.362) 4.851 13.546 ( -1.712 3.511 1.356) 4.135 13.678 ( -4.231 5.985 -0.968) 7.393 13.800 ( -1.843 -1.590 -0.181) 2.441 13.810 ( -3.919 -3.171 -2.289) 5.536 14.284 ( -12.978 7.284 3.276) 15.239 14.536 ( -3.007 2.091 8.173) 8.956 14.946 ( 0.719 9.167 0.780) 9.229 17.024 ( -0.408 -5.520 3.919) 6.782 17.531 ( 2.715 -0.505 -7.505) 7.997 18.015 ( -1.473 -4.005 -2.114) 4.762 18.074 ( -9.918 3.369 -3.148) 10.938 18.220 ( 2.387 3.172 4.430) 5.948 18.243 ( -5.001 16.526 2.978) 17.521 18.399 ( 2.291 -1.893 3.203) 4.369 18.696 ( -4.680 12.415 1.733) 13.381 19.023 ( -0.438 -0.563 0.491) 0.865 19.449 ( -1.786 -4.457 2.389) 5.363 19.691 ( 7.376 2.876 1.921) 8.147 19.793 ( 11.089 -5.332 -1.695) 12.421 20.129 ( -3.239 -0.718 -2.051) 3.901 20.494 ( 1.898 -6.770 -9.587) 11.889 20.728 ( -1.769 6.597 -0.157) 6.832 20.949 ( -2.260 -6.427 -2.994) 7.441 21.357 ( 7.398 -20.777 -2.665) 22.215 21.511 ( 1.493 -13.912 -1.179) 14.041 22.400 ( 1.199 -0.834 0.594) 1.577 22.451 ( 0.908 -0.214 0.259) 0.968 22.873 ( 1.701 7.267 -4.286) 8.607 23.449 ( 3.669 0.256 1.861) 4.122 23.478 ( 0.569 -0.810 -1.000) 1.408 24.525 ( -3.708 7.235 4.842) 9.462 ======================= Grid point 71 (24/78) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.499 -5.840 -1.301) 6.004 1.289 ( -3.484 -10.066 0.032) 10.652 1.503 ( 1.187 -7.334 16.257) 17.874 1.562 ( 6.112 -7.054 5.391) 10.779 1.575 ( -1.590 -5.455 -4.137) 7.028 1.805 ( -1.737 -2.978 -1.856) 3.915 1.857 ( 4.257 6.050 0.460) 7.412 2.025 ( 0.302 -6.873 1.410) 7.023 2.121 ( -1.283 -1.916 1.773) 2.909 2.232 ( -0.213 -4.496 0.818) 4.575 2.329 ( -1.840 0.329 -3.206) 3.711 2.445 ( -2.351 -0.420 -10.355) 10.627 2.553 ( -0.978 6.335 0.208) 6.414 2.588 ( 11.040 -11.003 5.400) 16.496 2.734 ( 8.286 -0.475 -1.254) 8.394 2.860 ( 10.572 -7.464 5.968) 14.251 2.935 ( 1.530 -2.137 -4.713) 5.396 3.015 ( -5.114 -8.582 0.285) 9.994 3.147 ( -2.902 0.947 -6.012) 6.743 3.338 ( 1.502 -7.771 1.247) 8.013 3.410 ( 4.810 -7.592 -1.312) 9.083 3.569 ( -2.840 -5.542 2.765) 6.814 3.743 ( -3.533 -3.041 -2.267) 5.184 3.969 ( 3.900 -7.021 1.730) 8.216 4.064 ( 7.011 0.197 1.953) 7.280 4.082 ( -0.089 4.861 -5.807) 7.573 4.267 ( -0.257 3.650 2.611) 4.495 4.335 ( 1.203 0.787 0.307) 1.470 4.406 ( -0.382 -1.115 -1.495) 1.903 4.665 ( -1.145 2.669 1.607) 3.320 4.724 ( -6.256 -2.870 -0.274) 6.889 5.195 ( -1.200 7.441 4.597) 8.828 5.203 ( -2.527 2.459 -2.994) 4.625 5.350 ( 4.507 6.899 2.250) 8.542 5.559 ( -4.887 6.111 1.665) 8.000 5.631 ( -5.388 8.508 2.356) 10.342 5.792 ( 1.799 -4.069 0.498) 4.477 5.962 ( -1.783 1.498 -0.667) 2.422 6.183 ( -4.280 0.237 -3.651) 5.631 6.256 ( 1.696 4.701 1.778) 5.304 6.307 ( 3.620 6.849 0.543) 7.766 6.484 ( 7.148 1.639 0.759) 7.372 6.631 ( -2.405 2.997 0.998) 3.970 6.972 ( 2.562 -3.394 1.099) 4.392 7.101 ( -0.933 -18.132 -3.353) 18.463 7.196 ( 5.206 0.231 -0.351) 5.223 7.418 ( 2.811 -8.306 1.450) 8.888 7.600 ( -0.197 -4.873 -4.209) 6.442 7.743 ( -1.850 1.832 -0.396) 2.634 8.006 ( 3.659 -3.499 3.067) 5.919 8.064 ( -4.030 5.331 0.306) 6.690 8.090 ( 4.049 -4.997 1.867) 6.697 8.252 ( 1.116 0.289 0.575) 1.288 8.478 ( 6.218 -7.858 0.443) 10.031 8.798 ( 0.668 11.548 2.683) 11.874 8.930 ( -0.762 -12.141 -4.631) 13.016 9.052 ( -8.315 -0.763 -0.221) 8.353 9.410 ( -5.818 2.964 0.538) 6.551 9.528 ( 2.492 8.579 1.654) 9.086 9.661 ( 5.625 7.686 1.851) 9.703 9.672 ( 0.890 -3.059 2.765) 4.219 10.095 ( 0.434 1.274 -2.049) 2.452 10.193 ( 4.235 -1.108 -2.758) 5.174 10.701 ( 1.296 2.636 0.503) 2.980 10.880 ( -1.749 -9.207 0.915) 9.416 11.257 ( 10.702 -0.992 -4.024) 11.477 11.335 ( 1.325 1.455 2.479) 3.165 11.506 ( 0.258 3.243 2.412) 4.050 11.661 ( 0.396 1.786 -3.066) 3.571 11.997 ( -2.044 -3.092 0.047) 3.707 12.210 ( 0.936 0.036 -0.550) 1.087 12.426 ( 0.880 -4.865 1.211) 5.090 12.622 ( -0.306 3.061 -1.733) 3.531 12.866 ( -1.953 -6.083 -11.300) 12.982 13.078 ( -2.665 5.848 1.029) 6.509 13.131 ( 0.328 0.323 -2.875) 2.911 13.338 ( -4.837 7.539 -0.481) 8.970 13.421 ( -3.558 4.258 -1.092) 5.656 13.575 ( -0.645 1.685 -2.140) 2.799 13.759 ( -7.554 2.286 3.843) 8.778 13.809 ( -4.172 -2.298 0.209) 4.767 14.094 ( -7.194 2.400 -1.507) 7.733 14.502 ( -2.044 2.838 3.908) 5.245 14.798 ( 3.745 9.682 1.963) 10.565 17.142 ( 0.135 -5.850 2.058) 6.203 17.496 ( 2.864 4.671 -6.214) 8.284 17.760 ( -13.400 7.303 1.778) 15.364 18.007 ( -3.468 5.181 2.578) 6.746 18.193 ( 0.670 -9.715 -1.761) 9.896 18.300 ( 7.320 -4.088 -0.623) 8.407 18.531 ( 2.450 3.697 -2.005) 4.868 18.554 ( 3.263 -4.820 1.537) 6.020 19.040 ( 2.173 -0.424 0.437) 2.257 19.468 ( -6.484 -2.950 0.176) 7.126 19.608 ( -1.555 6.383 -0.868) 6.627 19.965 ( 1.976 -0.184 1.650) 2.581 20.180 ( 10.140 -1.704 -2.487) 10.579 20.390 ( -6.442 7.193 -1.851) 9.831 20.582 ( -4.083 5.731 0.695) 7.071 20.964 ( 0.948 2.306 3.971) 4.689 21.720 ( 1.927 -14.602 -0.564) 14.739 21.837 ( 3.985 -18.261 -6.607) 19.824 22.403 ( 0.109 1.987 0.784) 2.139 22.498 ( 2.720 -2.811 1.863) 4.332 22.729 ( -2.467 5.818 -5.340) 8.274 23.488 ( 2.675 -0.066 1.198) 2.932 23.503 ( 2.222 -0.817 -0.025) 2.368 24.400 ( -3.095 4.822 4.285) 7.155 ======================= Grid point 72 (25/78) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.255 -3.398 -0.558) 3.665 1.367 ( -3.557 -3.430 0.387) 4.957 1.484 ( -5.763 4.522 -0.193) 7.328 1.591 ( 0.382 0.050 -4.012) 4.030 1.658 ( -2.881 0.635 -1.310) 3.228 1.789 ( 4.460 4.943 -4.776) 8.193 1.845 ( 1.460 -0.653 2.469) 2.942 2.040 ( -0.696 -0.156 -3.396) 3.470 2.141 ( -2.408 -1.629 3.778) 4.767 2.233 ( -0.885 3.591 -10.629) 11.254 2.267 ( -4.405 -1.560 1.939) 5.059 2.368 ( -2.709 -3.373 -0.737) 4.388 2.503 ( 2.284 2.909 -0.415) 3.722 2.716 ( 1.871 0.394 0.850) 2.093 2.730 ( 2.172 4.314 2.186) 5.301 2.930 ( 8.190 0.122 -5.150) 9.675 3.008 ( -1.946 3.746 -0.883) 4.313 3.237 ( -2.651 -13.477 7.134) 15.478 3.356 ( 11.665 -12.191 5.665) 17.799 3.494 ( -11.227 -2.346 12.131) 16.695 3.605 ( 5.738 -4.341 -3.487) 7.995 3.684 ( 0.122 -11.260 -2.825) 11.610 3.879 ( 12.748 -12.597 -1.453) 17.981 3.972 ( -0.750 1.475 -0.990) 1.928 4.075 ( 4.710 2.402 -3.791) 6.506 4.152 ( 2.613 1.123 -0.325) 2.863 4.222 ( 1.032 -2.164 -3.001) 3.841 4.313 ( -6.997 -2.266 2.535) 7.779 4.428 ( 2.710 -2.519 2.714) 4.589 4.675 ( -0.302 2.190 1.911) 2.922 4.724 ( -0.247 -4.081 -0.037) 4.089 5.080 ( -1.278 5.197 0.548) 5.380 5.115 ( -4.327 2.828 2.931) 5.942 5.264 ( -0.903 6.303 0.589) 6.394 5.436 ( -2.350 7.533 -1.205) 7.982 5.492 ( -0.374 1.692 -2.137) 2.751 5.907 ( -2.831 -5.007 -1.041) 5.845 5.920 ( -1.676 -1.909 0.486) 2.586 6.046 ( 1.280 5.542 1.113) 5.795 6.231 ( 1.779 4.539 -0.678) 4.922 6.321 ( 4.113 -2.651 1.227) 5.045 6.522 ( -0.292 2.289 0.572) 2.377 6.569 ( 3.685 1.920 -0.901) 4.251 7.043 ( 0.517 -3.273 0.543) 3.358 7.211 ( 3.300 1.963 -0.396) 3.860 7.359 ( -3.744 -11.484 -4.522) 12.897 7.535 ( 1.047 -4.447 2.738) 5.326 7.656 ( -0.715 2.446 1.181) 2.809 7.752 ( 3.268 -7.633 -5.629) 10.031 7.892 ( -4.187 2.664 0.939) 5.051 8.149 ( 2.869 0.232 1.894) 3.446 8.207 ( 2.988 -2.576 3.827) 5.497 8.246 ( 3.132 -1.270 -1.649) 3.760 8.557 ( 1.497 8.335 0.909) 8.517 8.728 ( -1.637 -4.610 2.601) 5.541 8.985 ( -1.378 1.516 -0.744) 2.180 9.028 ( -6.455 -4.928 -1.337) 8.231 9.337 ( -3.962 0.240 -0.570) 4.010 9.418 ( 2.621 6.787 3.848) 8.230 9.618 ( 4.475 4.050 0.168) 6.038 9.842 ( 1.228 -12.581 1.631) 12.746 10.044 ( 1.173 3.448 -1.074) 3.797 10.212 ( 0.413 -1.826 -2.739) 3.318 10.600 ( 0.038 11.007 1.142) 11.067 11.051 ( 2.316 -9.150 0.624) 9.459 11.298 ( -0.755 1.332 1.565) 2.189 11.341 ( 3.093 1.136 -1.601) 3.664 11.464 ( 4.381 5.318 1.322) 7.016 11.658 ( 1.831 -2.082 -3.820) 4.720 12.081 ( -1.822 -9.354 0.086) 9.531 12.247 ( 4.755 -1.606 -0.695) 5.067 12.513 ( 0.787 2.142 -1.841) 2.932 12.536 ( 0.067 0.284 0.585) 0.654 12.783 ( -9.693 9.132 -0.564) 13.329 12.794 ( -2.244 12.744 -2.923) 13.267 13.156 ( -0.319 -1.885 -0.568) 1.995 13.250 ( -2.822 -0.232 -1.275) 3.105 13.345 ( 0.364 2.743 -1.487) 3.141 13.521 ( -0.729 4.410 -3.499) 5.677 13.665 ( -5.574 0.016 5.043) 7.517 13.822 ( -4.882 -4.332 1.552) 6.709 14.007 ( -2.305 2.818 0.114) 3.642 14.441 ( -2.196 0.917 -2.430) 3.401 14.723 ( 3.570 4.813 3.040) 6.719 17.201 ( 0.598 -0.928 -1.833) 2.140 17.385 ( 0.587 6.590 -7.561) 10.047 17.697 ( -5.715 -7.283 10.143) 13.732 17.912 ( -2.798 3.771 3.831) 6.061 18.305 ( -0.281 -0.752 0.759) 1.105 18.468 ( 1.083 -8.452 1.337) 8.626 18.533 ( 6.144 -4.750 -7.879) 11.063 18.673 ( 6.365 -0.230 -3.206) 7.131 19.094 ( 4.143 -1.742 0.638) 4.539 19.440 ( -6.696 -1.282 -0.069) 6.818 19.467 ( -2.731 5.645 -1.171) 6.379 19.916 ( -3.520 3.979 1.496) 5.519 20.213 ( -5.413 3.916 -0.447) 6.696 20.250 ( 10.509 4.636 -3.165) 11.914 20.483 ( -7.646 -0.222 -2.070) 7.924 20.960 ( 5.526 3.679 10.698) 12.590 21.923 ( 0.666 -7.996 -1.997) 8.269 22.093 ( 1.340 -10.689 -2.551) 11.070 22.341 ( -0.861 4.814 -0.255) 4.898 22.572 ( 0.470 1.071 4.562) 4.709 22.635 ( -1.358 -2.530 -7.068) 7.629 23.506 ( 0.768 -0.027 -0.384) 0.859 23.546 ( 2.961 -0.344 1.768) 3.466 24.326 ( -1.738 2.371 2.431) 3.815 ======================= Grid point 73 (26/78) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.134 -0.608 0.257) 0.673 1.338 ( 1.677 3.030 -1.999) 3.998 1.406 ( -3.046 -1.138 -0.476) 3.286 1.571 ( 2.659 0.331 -4.057) 4.862 1.600 ( 0.058 1.660 -4.284) 4.595 1.752 ( 4.961 2.201 -6.355) 8.357 1.860 ( 1.448 1.243 3.433) 3.928 2.036 ( -0.582 -1.517 -4.436) 4.724 2.112 ( -4.964 0.764 -13.722) 14.613 2.184 ( 0.110 -1.360 -2.143) 2.541 2.288 ( -3.716 -4.221 4.965) 7.502 2.434 ( -2.321 -3.705 0.421) 4.392 2.448 ( 0.340 1.313 -0.119) 1.361 2.681 ( 2.966 4.487 -4.320) 6.899 2.754 ( 2.316 -0.596 4.463) 5.063 2.890 ( -0.495 5.168 2.615) 5.813 3.028 ( 6.031 -2.086 1.010) 6.461 3.318 ( -3.241 4.342 10.229) 11.576 3.468 ( -2.206 -1.073 6.248) 6.712 3.490 ( -7.465 -1.584 3.885) 8.563 3.734 ( 7.963 -1.899 0.647) 8.211 3.804 ( 5.732 5.011 -4.293) 8.740 3.950 ( -2.967 -2.103 -5.867) 6.903 4.011 ( -1.832 0.901 0.435) 2.088 4.087 ( -3.751 -1.294 0.607) 4.015 4.182 ( -3.415 -3.819 -3.336) 6.114 4.287 ( 5.125 1.228 2.574) 5.865 4.309 ( -1.923 -3.984 0.854) 4.505 4.545 ( 5.997 -2.501 2.049) 6.813 4.616 ( -4.144 -0.903 0.946) 4.346 4.749 ( -0.776 3.846 0.174) 3.927 5.021 ( -0.300 1.383 1.013) 1.740 5.055 ( 1.081 0.707 3.675) 3.895 5.222 ( -1.611 -2.430 0.388) 2.941 5.311 ( 0.803 2.120 -0.954) 2.460 5.462 ( 0.330 1.650 -4.784) 5.071 5.883 ( -0.867 -0.250 -1.177) 1.483 5.978 ( -2.992 -3.687 1.680) 5.037 6.038 ( 3.224 4.289 1.128) 5.483 6.191 ( -2.053 -2.213 0.948) 3.164 6.409 ( 2.784 -2.460 -0.848) 3.811 6.436 ( -1.958 3.362 0.559) 3.931 6.589 ( 0.206 0.495 -0.422) 0.683 7.081 ( 0.741 0.006 0.083) 0.746 7.225 ( 0.706 -1.063 -0.281) 1.307 7.385 ( -3.080 -2.410 -5.615) 6.843 7.542 ( 4.267 7.951 2.605) 9.392 7.662 ( 0.933 -1.661 3.596) 4.069 7.881 ( -1.567 -2.359 -2.611) 3.852 7.921 ( -0.225 -7.379 -8.740) 11.441 8.068 ( -1.703 4.494 3.425) 5.902 8.274 ( 3.971 0.989 2.741) 4.926 8.360 ( 1.953 -6.449 3.304) 7.505 8.386 ( -3.328 7.074 3.419) 8.533 8.771 ( -0.533 0.774 1.517) 1.784 8.918 ( -3.363 2.608 -3.035) 5.227 9.045 ( -1.656 -2.287 -0.158) 2.828 9.279 ( -2.248 3.313 2.410) 4.673 9.443 ( 3.790 -4.808 0.948) 6.195 9.596 ( 0.280 1.341 -0.932) 1.657 9.959 ( -0.751 1.832 0.773) 2.125 10.041 ( 2.043 -2.670 -1.616) 3.731 10.319 ( -2.363 6.206 1.213) 6.751 10.395 ( 1.227 -5.972 -0.670) 6.134 11.180 ( -0.498 -0.229 0.435) 0.700 11.263 ( -0.005 1.966 -1.185) 2.296 11.319 ( -0.252 0.412 2.026) 2.083 11.434 ( 0.183 -0.336 0.307) 0.491 11.710 ( 0.889 -2.064 -3.522) 4.178 12.244 ( -0.175 -2.824 -0.558) 2.884 12.304 ( 2.475 1.120 -2.079) 3.420 12.444 ( 3.435 0.446 -0.820) 3.559 12.496 ( -4.264 -0.162 0.299) 4.278 12.598 ( 0.125 0.010 -0.938) 0.947 12.672 ( 1.201 2.856 -0.654) 3.166 13.175 ( -0.136 -0.079 -0.793) 0.808 13.225 ( -1.174 -0.720 1.158) 1.799 13.352 ( 2.623 -2.409 -0.496) 3.596 13.400 ( -0.456 6.587 -4.300) 7.879 13.688 ( -1.648 -4.535 2.705) 5.531 13.837 ( -2.613 -0.158 0.464) 2.658 13.985 ( 3.236 -0.203 4.702) 5.712 14.427 ( -1.303 -2.739 -5.719) 6.473 14.703 ( 0.898 1.701 3.501) 3.994 17.220 ( 1.855 -1.703 -2.950) 3.879 17.279 ( 1.285 4.201 -5.470) 7.016 17.783 ( -6.006 -1.193 6.463) 8.903 17.907 ( -0.589 -5.749 10.691) 12.153 18.271 ( 2.288 4.030 -1.822) 4.980 18.536 ( -0.525 1.614 -1.900) 2.548 18.659 ( 0.404 -3.083 -0.202) 3.116 18.698 ( 2.980 -0.425 -8.758) 9.261 19.127 ( -0.475 1.200 -0.771) 1.503 19.358 ( -0.580 0.786 -1.876) 2.115 19.445 ( 0.897 -0.560 1.068) 1.503 19.847 ( -0.515 -0.619 1.515) 1.716 20.161 ( -0.281 -0.566 0.250) 0.679 20.278 ( 5.187 -0.477 0.336) 5.220 20.371 ( -9.869 1.765 -5.962) 11.664 21.026 ( 7.464 0.953 12.002) 14.165 22.003 ( 1.087 -1.950 -3.000) 3.739 22.205 ( -2.192 5.038 3.677) 6.611 22.253 ( 1.045 -3.522 -5.505) 6.618 22.525 ( -1.919 1.091 -1.903) 2.914 22.686 ( -1.750 -3.010 -0.225) 3.489 23.503 ( -0.154 0.595 -0.277) 0.674 23.575 ( 1.510 0.329 1.756) 2.339 24.297 ( -0.598 0.478 1.768) 1.927 ======================= Grid point 74 (27/78) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.270 3.069 -0.978) 3.463 1.346 ( 5.507 3.090 1.084) 6.407 1.410 ( -2.179 -1.693 -3.733) 4.642 1.533 ( 0.218 6.825 -0.310) 6.836 1.630 ( 5.906 -3.062 -1.089) 6.741 1.770 ( -1.530 -1.062 -1.680) 2.508 1.851 ( 0.215 1.363 3.298) 3.575 1.992 ( -3.112 0.099 -5.668) 6.467 2.097 ( 5.453 -4.475 -7.119) 10.022 2.202 ( 1.332 -1.299 -2.407) 3.042 2.327 ( 1.490 0.675 0.633) 1.754 2.431 ( -0.662 -3.897 0.048) 3.953 2.551 ( -0.950 -6.195 4.416) 7.666 2.609 ( 2.045 3.674 -5.270) 6.742 2.778 ( -0.442 0.013 -0.598) 0.743 2.834 ( -2.183 1.693 2.617) 3.805 3.122 ( 3.932 2.598 1.464) 4.935 3.172 ( -4.848 8.192 4.563) 10.556 3.388 ( 4.983 8.029 1.971) 9.653 3.467 ( -11.066 3.893 8.061) 14.233 3.651 ( 0.378 16.539 -0.569) 16.553 3.658 ( 3.568 9.389 -2.355) 10.316 3.809 ( -16.302 6.487 0.115) 17.546 3.957 ( -1.101 -2.244 -0.631) 2.578 4.094 ( -6.864 -0.479 -4.818) 8.400 4.186 ( -1.083 -5.400 -0.338) 5.518 4.309 ( 3.692 2.306 0.350) 4.367 4.379 ( 0.722 -3.726 -0.678) 3.855 4.571 ( -3.198 3.339 6.515) 7.989 4.577 ( -6.129 2.926 -1.018) 6.867 4.703 ( 8.045 -0.277 -0.403) 8.060 5.010 ( 1.860 1.285 1.451) 2.687 5.166 ( 3.922 -7.868 4.405) 9.834 5.274 ( -1.652 -4.921 1.214) 5.330 5.392 ( 3.302 -1.135 -3.910) 5.242 5.421 ( 0.347 -4.291 -2.241) 4.853 5.893 ( 2.223 0.867 -0.689) 2.484 5.919 ( 0.267 6.822 0.237) 6.831 6.063 ( -1.534 -7.648 0.903) 7.852 6.222 ( -4.686 -3.176 -0.138) 5.662 6.427 ( 1.362 -2.308 3.968) 4.788 6.446 ( -0.640 -1.070 -2.728) 2.999 6.546 ( -4.645 0.684 -0.743) 4.753 7.058 ( -0.188 3.532 0.642) 3.594 7.210 ( -4.640 0.919 -1.725) 5.035 7.401 ( 7.055 5.822 -0.263) 9.150 7.450 ( -1.323 3.704 -1.459) 4.195 7.658 ( 4.495 2.942 -1.210) 5.507 7.848 ( -0.256 7.529 -4.354) 8.701 7.885 ( -4.152 -2.542 4.137) 6.388 8.124 ( -1.671 -6.250 0.023) 6.470 8.232 ( -5.330 4.635 2.341) 7.441 8.298 ( -3.063 1.446 0.271) 3.398 8.468 ( 1.018 -3.528 1.436) 3.943 8.693 ( -2.182 7.368 2.029) 7.947 8.932 ( 3.942 -5.244 -0.006) 6.561 9.077 ( 5.419 -1.205 -0.788) 5.607 9.206 ( -1.032 4.086 0.657) 4.266 9.565 ( -3.829 -1.777 -1.425) 4.455 9.596 ( -1.122 -7.319 3.574) 8.222 9.843 ( -1.215 10.248 1.303) 10.402 10.096 ( -1.257 -0.172 1.172) 1.727 10.144 ( 1.378 0.400 -4.484) 4.708 10.644 ( -1.081 -13.045 0.957) 13.125 11.046 ( -2.568 9.489 0.582) 9.847 11.232 ( -2.823 0.058 0.435) 2.857 11.353 ( 1.019 -1.326 -0.764) 1.839 11.480 ( -4.223 -5.780 1.152) 7.250 11.714 ( -1.133 -0.629 -3.366) 3.607 12.088 ( 1.512 10.043 0.007) 10.157 12.296 ( -4.840 1.776 -0.562) 5.186 12.476 ( 1.374 -0.843 -1.450) 2.169 12.544 ( -0.662 -0.876 1.077) 1.538 12.717 ( 6.828 -8.515 -3.513) 11.466 12.802 ( 8.618 -11.918 -1.050) 14.745 13.183 ( 3.556 -0.973 -0.210) 3.692 13.259 ( -1.937 2.867 -0.028) 3.460 13.283 ( 3.778 -0.107 -2.906) 4.768 13.455 ( 2.863 -4.931 0.152) 5.704 13.749 ( 0.277 -0.368 1.088) 1.181 13.838 ( 1.629 -2.855 1.194) 3.497 14.074 ( 7.787 -1.136 1.352) 7.985 14.475 ( -1.069 -6.775 -4.588) 8.251 14.703 ( -2.073 -1.128 4.380) 4.976 17.205 ( 1.034 4.549 -2.098) 5.115 17.295 ( 3.751 -4.493 -4.436) 7.344 17.767 ( -4.184 -3.071 8.162) 9.672 18.031 ( 0.783 -2.193 4.776) 5.314 18.231 ( 3.975 2.151 -2.353) 5.096 18.449 ( -2.076 5.633 1.356) 6.155 18.597 ( -3.242 7.083 -1.864) 8.009 18.634 ( -3.997 3.183 -8.277) 9.727 19.087 ( -4.301 -0.531 0.674) 4.386 19.433 ( 5.246 -6.274 -1.483) 8.312 19.467 ( 4.947 1.953 0.290) 5.326 19.937 ( 2.851 -4.811 1.797) 5.874 20.183 ( -9.215 4.560 -4.287) 11.139 20.231 ( 1.141 -6.275 -0.342) 6.387 20.393 ( 4.250 -6.073 1.339) 7.532 21.131 ( 4.512 -1.643 8.686) 9.925 22.008 ( 2.505 5.274 -3.894) 7.018 22.018 ( -2.031 9.471 0.255) 9.690 22.332 ( 0.154 -4.233 -1.895) 4.640 22.500 ( -1.024 -0.400 -1.645) 1.978 22.672 ( -5.238 0.564 -0.868) 5.339 23.482 ( -0.988 1.095 0.117) 1.479 23.573 ( -0.304 1.163 1.190) 1.691 24.309 ( 0.306 -1.193 2.654) 2.926 ======================= Grid point 75 (28/78) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.414 5.418 -1.155) 5.555 1.231 ( -8.634 11.588 12.620) 19.186 1.313 ( -8.993 14.217 5.665) 17.751 1.350 ( 6.515 9.258 -2.742) 11.648 1.678 ( -1.476 2.516 1.972) 3.520 1.809 ( 3.578 -2.138 -1.320) 4.372 1.907 ( 3.677 -2.362 3.213) 5.424 1.966 ( -3.837 -1.475 -1.861) 4.512 2.167 ( 0.198 -0.229 1.364) 1.398 2.260 ( 1.644 6.442 -1.333) 6.781 2.314 ( 3.161 -0.922 -3.567) 4.854 2.406 ( -6.619 19.523 0.694) 20.626 2.516 ( -1.649 1.486 -3.922) 4.507 2.671 ( -2.683 -3.316 1.180) 4.425 2.708 ( -3.096 2.188 -2.891) 4.768 2.792 ( -3.361 -1.485 5.483) 6.601 2.918 ( -1.387 4.141 -3.839) 5.815 3.037 ( 7.606 9.201 0.772) 11.963 3.277 ( -9.618 5.445 -2.465) 11.324 3.355 ( -3.125 2.781 -3.436) 5.414 3.460 ( 0.657 -0.185 2.741) 2.824 3.493 ( 3.859 6.814 -3.595) 8.617 3.661 ( 2.275 2.378 6.003) 6.846 3.958 ( 1.210 10.376 -4.174) 11.250 4.089 ( -3.558 -7.514 4.871) 9.636 4.178 ( -8.204 3.639 -2.744) 9.385 4.232 ( -1.121 0.223 -1.154) 1.625 4.400 ( -2.663 3.383 1.758) 4.651 4.462 ( -2.210 -4.009 -1.331) 4.767 4.654 ( -1.146 -3.587 2.323) 4.424 4.751 ( 10.298 3.320 -0.774) 10.848 5.032 ( 4.418 -0.009 4.974) 6.653 5.257 ( -7.204 -1.594 -2.204) 7.701 5.394 ( 3.842 -9.269 5.784) 11.582 5.455 ( -0.209 -8.929 -1.555) 9.066 5.586 ( 6.091 -7.392 1.501) 9.695 5.790 ( -2.050 3.868 0.578) 4.416 5.955 ( 1.929 -3.110 -0.572) 3.704 6.174 ( 2.191 0.471 -1.782) 2.863 6.263 ( -2.790 -10.558 0.209) 10.922 6.415 ( -1.703 2.525 -0.221) 3.053 6.468 ( -5.757 -2.182 0.965) 6.232 6.568 ( 1.583 -6.251 1.409) 6.601 6.950 ( -2.465 6.746 0.406) 7.194 7.078 ( -1.161 9.537 -2.826) 10.015 7.297 ( -6.888 2.105 3.727) 8.110 7.366 ( 1.336 10.279 -3.579) 10.966 7.657 ( 2.868 5.516 -3.958) 7.370 7.746 ( 5.808 1.149 -1.955) 6.235 7.897 ( -5.091 0.149 5.348) 7.385 8.066 ( -8.557 -2.204 0.646) 8.860 8.189 ( 0.231 4.298 1.280) 4.490 8.261 ( -1.297 -0.660 1.483) 2.078 8.457 ( -4.633 9.287 -0.899) 10.417 8.632 ( 1.226 -6.909 1.669) 7.213 9.005 ( 3.218 3.324 -1.413) 4.837 9.076 ( 2.592 4.481 -1.899) 5.514 9.294 ( 10.581 -7.885 2.330) 13.400 9.542 ( -3.837 -2.049 -0.711) 4.407 9.701 ( -5.680 -3.884 5.108) 8.570 9.730 ( -3.858 -4.642 0.464) 6.053 10.067 ( -1.107 2.440 -1.955) 3.317 10.180 ( -0.131 -1.682 -2.548) 3.056 10.760 ( -4.344 -1.671 0.912) 4.743 10.908 ( 2.677 3.775 0.701) 4.681 11.191 ( -6.513 -0.444 -2.390) 6.952 11.368 ( -2.688 -0.695 0.050) 2.777 11.519 ( -4.056 -3.192 2.395) 5.690 11.710 ( -0.300 -1.017 -2.694) 2.896 11.989 ( 2.254 3.751 0.014) 4.376 12.240 ( -2.066 0.231 -0.114) 2.082 12.400 ( -0.460 4.891 0.690) 4.961 12.632 ( 1.188 -3.441 -1.188) 3.829 12.843 ( 9.546 2.303 -11.731) 15.298 13.022 ( 2.636 -2.290 0.993) 3.630 13.194 ( 1.260 -2.695 -2.198) 3.699 13.311 ( 3.190 -5.110 -0.335) 6.033 13.411 ( 8.689 -8.837 -1.105) 12.442 13.541 ( 1.794 -1.929 0.424) 2.668 13.764 ( 5.446 0.906 0.258) 5.527 13.900 ( -0.662 -0.998 -0.640) 1.357 14.176 ( 8.660 -1.770 -1.952) 9.052 14.614 ( -1.297 -10.817 0.089) 10.894 14.757 ( -3.350 -7.978 4.966) 9.977 17.112 ( -0.252 6.362 1.800) 6.616 17.413 ( 4.371 -5.719 -3.696) 8.092 17.896 ( 2.002 -8.881 2.758) 9.513 18.029 ( 5.304 1.115 -1.838) 5.723 18.227 ( 0.331 5.531 -4.242) 6.978 18.312 ( -3.477 4.894 3.169) 6.788 18.451 ( -5.441 2.321 0.287) 5.923 18.525 ( -2.023 2.599 -0.937) 3.425 19.063 ( -2.836 -0.466 0.313) 2.891 19.480 ( 6.094 3.054 0.342) 6.825 19.594 ( 3.282 -5.811 -1.034) 6.753 19.911 ( -11.001 7.106 2.188) 13.278 20.073 ( 2.207 -1.781 -2.488) 3.773 20.424 ( 5.010 -10.441 -0.843) 11.612 20.564 ( 3.230 -8.404 0.864) 9.044 21.208 ( -1.783 -2.641 4.265) 5.324 21.733 ( -2.238 16.726 -0.088) 16.875 21.945 ( 1.061 7.683 -13.209) 15.318 22.398 ( 1.132 -3.245 0.306) 3.450 22.490 ( -1.900 0.579 -2.852) 3.476 22.577 ( -3.505 2.775 2.555) 5.149 23.450 ( -1.369 1.205 0.491) 1.889 23.541 ( -1.683 1.501 0.444) 2.298 24.365 ( 1.179 -3.243 5.281) 6.309 ======================= Grid point 76 (29/78) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -15.559 21.515 11.701) 29.015 0.990 ( -1.858 9.853 2.447) 10.321 1.046 ( -5.459 12.569 20.373) 24.553 1.182 ( 1.771 15.102 5.862) 16.297 1.523 ( -16.230 29.523 9.657) 35.047 1.627 ( -4.443 12.542 6.862) 14.971 1.835 ( 0.504 9.300 -1.669) 9.462 1.874 ( -7.389 13.153 -7.700) 16.938 1.972 ( -5.671 1.022 -0.845) 5.824 2.020 ( -0.145 1.591 4.175) 4.470 2.197 ( -2.784 -0.151 0.551) 2.842 2.332 ( 2.101 3.206 -2.102) 4.372 2.374 ( -1.663 5.605 -1.197) 5.968 2.648 ( 7.197 -1.289 -5.078) 8.902 2.841 ( -1.280 -2.854 0.207) 3.135 2.875 ( 1.919 -7.097 -5.192) 9.000 2.975 ( 0.413 -9.034 -3.784) 9.803 3.077 ( 8.019 -0.143 4.822) 9.358 3.201 ( 3.106 -3.598 -3.976) 6.196 3.309 ( -2.936 -1.761 -6.532) 7.375 3.417 ( 2.485 0.225 -2.886) 3.815 3.583 ( -0.012 -1.256 -3.815) 4.016 3.691 ( -5.815 11.461 3.698) 13.373 3.712 ( 8.183 0.703 6.835) 10.685 4.020 ( -2.093 2.130 -6.750) 7.381 4.175 ( -4.450 1.626 -0.971) 4.837 4.233 ( 0.154 -2.325 -0.687) 2.429 4.362 ( -1.114 -0.227 1.476) 1.863 4.451 ( -6.153 -0.653 -0.983) 6.265 4.640 ( 4.779 4.247 2.377) 6.821 4.830 ( 4.270 -1.719 -0.282) 4.612 5.202 ( 11.614 -8.302 9.299) 17.037 5.241 ( -5.142 -4.195 -1.035) 6.717 5.561 ( -0.698 -11.908 3.214) 12.354 5.642 ( 1.284 -3.047 2.954) 4.434 5.757 ( 6.593 -7.511 5.113) 11.226 5.845 ( 4.375 -10.684 5.276) 12.693 6.033 ( -1.783 -5.633 0.494) 5.929 6.120 ( 1.948 4.463 -0.787) 4.932 6.314 ( -2.119 5.724 2.780) 6.707 6.425 ( 2.799 -5.076 -0.247) 5.802 6.510 ( -9.309 -11.205 0.643) 14.582 6.692 ( 3.096 -3.461 1.926) 5.027 6.803 ( -9.851 14.682 0.962) 17.707 6.877 ( 2.175 1.185 -6.277) 6.748 7.146 ( -2.794 7.105 -2.765) 8.120 7.239 ( -4.515 2.429 2.573) 5.736 7.570 ( 1.275 4.028 -2.913) 5.132 7.809 ( 2.164 1.792 1.861) 3.370 7.872 ( -0.701 -4.021 3.582) 5.430 8.017 ( -10.009 0.899 -2.916) 10.464 8.106 ( -3.356 3.354 -2.720) 5.469 8.188 ( 3.766 8.955 1.869) 9.893 8.313 ( -3.007 2.419 3.211) 5.020 8.712 ( -0.281 5.200 -7.387) 9.038 8.997 ( 3.775 -7.628 3.012) 9.028 9.094 ( 8.087 2.185 -0.328) 8.383 9.523 ( 8.321 -5.414 0.266) 9.931 9.580 ( 2.263 -4.053 0.811) 4.712 9.728 ( -6.675 -6.436 2.586) 9.626 9.822 ( -11.089 -11.289 1.347) 15.881 9.964 ( -4.309 4.785 -0.626) 6.469 10.139 ( -1.741 4.124 -1.570) 4.744 10.702 ( 1.171 4.015 -1.410) 4.414 10.933 ( 5.573 1.484 0.899) 5.837 11.060 ( -15.206 2.808 -10.116) 18.478 11.312 ( -3.608 2.917 2.605) 5.321 11.539 ( -2.075 -1.793 2.640) 3.807 11.724 ( 0.060 -1.232 -1.109) 1.659 11.987 ( 2.050 -0.206 -1.147) 2.359 12.234 ( -0.454 -0.338 -0.910) 1.072 12.336 ( 0.424 3.009 -0.052) 3.040 12.601 ( 5.214 18.095 -16.209) 24.846 12.708 ( 2.586 6.943 -6.451) 9.824 13.000 ( 0.818 4.699 2.488) 5.379 13.329 ( 2.421 -7.861 -2.565) 8.616 13.397 ( 2.103 -2.912 1.186) 3.783 13.563 ( -0.408 -2.125 0.791) 2.304 13.678 ( 6.320 -8.215 -0.376) 10.371 13.803 ( 5.167 1.627 -1.897) 5.739 13.844 ( -2.037 3.897 -2.474) 5.045 14.290 ( 6.128 -2.481 0.712) 6.649 14.798 ( -11.825 -16.595 -1.683) 20.447 14.936 ( -0.804 -11.609 3.285) 12.092 17.013 ( -1.043 4.988 3.830) 6.375 17.521 ( 3.478 -1.233 -5.815) 6.887 17.997 ( 13.068 -3.288 -1.856) 13.602 18.051 ( -0.000 6.818 -2.491) 7.259 18.225 ( -6.078 0.344 0.142) 6.090 18.327 ( 2.360 -15.442 5.001) 16.402 18.405 ( -3.426 -5.863 5.218) 8.564 18.542 ( 9.880 -2.179 4.627) 11.126 19.048 ( -0.239 0.478 -0.067) 0.538 19.469 ( -0.353 7.467 6.138) 9.672 19.540 ( -5.710 8.468 -0.990) 10.261 19.774 ( -1.363 -2.244 -1.376) 2.964 20.126 ( 4.807 0.436 -1.743) 5.132 20.613 ( -2.730 -8.015 -5.374) 10.029 20.727 ( 1.927 -6.775 -0.131) 7.045 21.196 ( -10.443 -1.078 -1.309) 10.580 21.378 ( -7.933 26.359 -17.234) 32.477 21.547 ( -6.657 21.395 -12.903) 25.856 22.409 ( -2.545 1.916 -0.233) 3.194 22.445 ( -0.429 -0.760 0.270) 0.914 22.666 ( 13.053 -4.167 9.233) 16.522 23.422 ( -1.017 0.747 0.842) 1.517 23.500 ( -2.012 0.994 -0.180) 2.251 24.491 ( 3.162 -6.713 7.208) 10.345 ======================= Grid point 78 (30/78) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 4.988 -0.000 5.241) 7.235 0.979 ( 1.977 -0.000 -1.992) 2.807 1.125 ( 10.989 -0.000 14.521) 18.210 1.288 ( 13.026 -0.000 31.240) 33.847 1.505 ( 12.683 -0.000 -10.304) 16.341 1.529 ( 27.986 -0.000 20.161) 34.492 1.756 ( 13.191 -0.000 -8.078) 15.468 1.903 ( 4.281 -0.000 0.358) 4.296 2.025 ( 5.245 -0.000 -1.123) 5.364 2.078 ( -1.864 0.000 -2.436) 3.067 2.268 ( -3.224 0.000 0.454) 3.256 2.303 ( 13.700 -0.000 1.697) 13.805 2.319 ( 1.008 -0.000 1.433) 1.751 2.694 ( -7.362 0.000 -2.899) 7.912 2.805 ( 0.683 -0.000 -1.497) 1.646 2.838 ( -0.286 0.000 -12.478) 12.481 2.897 ( -8.141 0.000 1.651) 8.307 3.137 ( 1.720 -0.000 -10.857) 10.993 3.163 ( -10.055 0.000 2.089) 10.270 3.286 ( -5.837 0.000 2.053) 6.187 3.389 ( -1.722 0.000 -1.310) 2.164 3.444 ( -3.920 0.000 11.646) 12.288 3.553 ( 3.744 -0.000 -1.645) 4.089 3.891 ( -1.028 0.000 -11.092) 11.139 4.109 ( 6.814 -0.000 -7.987) 10.499 4.125 ( 14.760 -0.000 -1.622) 14.849 4.273 ( -4.782 0.000 0.031) 4.782 4.375 ( 1.412 -0.000 1.943) 2.402 4.439 ( 9.856 -0.000 1.891) 10.036 4.618 ( -10.636 0.000 -1.830) 10.792 4.789 ( -2.069 0.000 3.262) 3.863 5.212 ( -5.910 0.000 -2.144) 6.287 5.444 ( 0.903 -0.000 0.797) 1.205 5.638 ( -3.750 0.000 0.719) 3.818 5.651 ( -8.245 0.000 1.892) 8.459 5.755 ( -15.992 0.000 10.663) 19.221 5.890 ( -2.705 0.000 1.480) 3.083 6.056 ( -4.354 0.000 -2.993) 5.284 6.161 ( -12.446 0.000 8.684) 15.176 6.268 ( 1.617 -0.000 0.679) 1.754 6.278 ( 0.681 -0.000 -0.259) 0.729 6.600 ( -6.572 0.000 1.629) 6.771 6.769 ( 0.756 -0.000 -2.889) 2.987 6.798 ( 12.162 -0.000 1.521) 12.257 6.993 ( 15.162 -0.000 -5.712) 16.202 7.090 ( 1.068 -0.000 -1.617) 1.938 7.279 ( 4.571 -0.000 2.468) 5.194 7.485 ( -0.552 0.000 -2.338) 2.403 7.850 ( -11.364 0.000 1.637) 11.482 7.904 ( 8.520 -0.000 3.935) 9.385 8.057 ( 7.834 -0.000 -1.758) 8.029 8.081 ( -7.151 0.000 -0.420) 7.163 8.237 ( 20.367 -0.000 -5.509) 21.099 8.277 ( 4.528 -0.000 -0.464) 4.552 8.427 ( 5.576 -0.000 1.233) 5.710 9.001 ( -8.815 0.000 -1.462) 8.936 9.261 ( -4.325 0.000 -2.952) 5.236 9.474 ( -11.080 0.000 0.128) 11.081 9.609 ( -2.565 0.000 -1.473) 2.958 9.863 ( 4.414 -0.000 3.611) 5.703 9.928 ( -3.502 0.000 0.849) 3.603 9.985 ( 11.703 -0.000 0.457) 11.712 10.151 ( 16.392 -0.000 0.615) 16.403 10.565 ( -0.757 0.000 -1.685) 1.847 10.748 ( 0.097 -0.000 2.827) 2.828 11.297 ( 15.986 -0.000 -17.246) 23.516 11.301 ( 3.399 -0.000 2.861) 4.443 11.581 ( 1.650 -0.000 2.454) 2.957 11.721 ( 1.665 -0.000 -1.733) 2.403 11.985 ( -1.155 0.000 -1.912) 2.234 12.140 ( 0.221 -0.000 -1.696) 1.710 12.298 ( 1.306 -0.000 -0.098) 1.310 12.351 ( 1.287 -0.000 0.403) 1.349 12.701 ( 1.325 -0.000 -0.243) 1.347 12.936 ( -3.309 0.000 3.511) 4.825 13.292 ( -6.395 0.000 0.579) 6.421 13.514 ( 0.985 -0.000 -1.158) 1.520 13.585 ( -1.045 0.000 2.577) 2.781 13.642 ( -10.952 0.000 -2.317) 11.195 13.711 ( -10.704 0.000 -1.178) 10.768 13.771 ( 2.475 -0.000 -0.388) 2.505 14.216 ( -14.214 0.000 4.868) 15.025 14.600 ( 1.985 -0.000 11.306) 11.479 15.022 ( -1.539 0.000 0.529) 1.627 16.981 ( -0.228 0.000 3.742) 3.749 17.523 ( 4.235 -0.000 -8.433) 9.437 17.966 ( 0.744 -0.000 -0.191) 0.768 17.967 ( -20.647 0.000 -5.835) 21.456 18.248 ( -0.283 0.000 7.462) 7.468 18.390 ( 5.524 -0.000 -1.569) 5.743 18.417 ( -4.778 0.000 7.637) 9.008 18.680 ( -17.742 0.000 3.381) 18.061 19.022 ( 1.736 -0.000 -0.190) 1.746 19.444 ( -1.847 0.000 0.232) 1.861 19.792 ( -2.602 0.000 -0.887) 2.749 19.889 ( 18.201 -0.000 -1.583) 18.269 20.022 ( -3.001 0.000 -0.122) 3.003 20.557 ( 32.445 -0.000 -12.514) 34.775 20.772 ( -3.042 0.000 -0.259) 3.053 20.833 ( -3.987 0.000 -0.043) 3.988 21.282 ( 8.824 -0.000 3.670) 9.557 21.402 ( 2.281 -0.000 0.010) 2.281 22.416 ( 3.092 -0.000 0.204) 3.098 22.461 ( 1.296 -0.000 0.128) 1.302 22.875 ( -7.679 0.000 -9.058) 11.875 23.482 ( 2.005 -0.000 -1.088) 2.281 23.515 ( 6.282 -0.000 0.208) 6.285 24.548 ( -7.527 0.000 3.282) 8.212 ======================= Grid point 79 (31/78) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.953 -6.207 -0.248) 6.284 1.063 ( -1.269 -9.616 -0.602) 9.718 1.481 ( 0.884 -3.388 21.949) 22.226 1.572 ( 12.281 -13.971 8.169) 20.317 1.584 ( 8.861 -5.767 2.830) 10.944 1.812 ( 14.100 2.038 -4.782) 15.027 1.907 ( 8.109 -6.219 -0.332) 10.224 2.004 ( 3.593 3.325 0.296) 4.905 2.078 ( 4.238 -1.204 2.190) 4.920 2.152 ( 2.748 -13.489 -4.458) 14.470 2.251 ( 0.492 -0.554 -1.345) 1.536 2.343 ( 0.512 -0.205 0.580) 0.800 2.555 ( 7.439 -6.112 0.969) 9.676 2.562 ( -4.142 -1.072 1.521) 4.541 2.754 ( 4.276 1.389 -6.336) 7.769 2.809 ( 0.511 0.348 1.717) 1.825 2.868 ( -3.889 -0.221 -0.535) 3.932 3.037 ( -2.954 5.492 -0.231) 6.240 3.104 ( 1.255 1.508 -7.983) 8.221 3.329 ( 6.502 -10.337 -3.518) 12.709 3.354 ( -0.902 2.011 -0.804) 2.346 3.430 ( -10.599 -3.049 11.059) 15.618 3.656 ( 8.884 -4.993 -2.017) 10.388 3.911 ( 1.880 -4.143 -3.560) 5.777 4.124 ( 2.764 2.123 -11.146) 11.678 4.206 ( 3.441 2.072 1.057) 4.153 4.282 ( 5.503 -1.929 -0.640) 5.866 4.382 ( 1.681 2.494 1.485) 3.354 4.461 ( 0.190 6.408 2.118) 6.752 4.551 ( -4.332 -3.709 -1.260) 5.840 4.752 ( -1.211 1.935 3.434) 4.124 5.146 ( -7.843 -1.574 -2.832) 8.486 5.319 ( -6.609 8.039 6.632) 12.341 5.494 ( -1.481 4.809 2.471) 5.606 5.580 ( -9.588 3.498 2.046) 10.409 5.708 ( -1.514 4.330 4.127) 6.170 5.839 ( -0.335 6.214 3.002) 6.909 5.930 ( -1.707 -0.927 -2.675) 3.305 6.085 ( -4.211 -2.863 -3.020) 5.921 6.296 ( 2.340 1.712 2.298) 3.700 6.425 ( -4.217 -4.209 0.650) 5.993 6.577 ( 3.517 -2.555 2.966) 5.263 6.757 ( 6.180 6.152 -1.366) 8.826 6.796 ( 0.015 -1.371 -2.188) 2.582 7.068 ( 2.994 2.477 -0.486) 3.916 7.158 ( 7.230 -4.046 -2.004) 8.524 7.384 ( 4.587 -4.914 2.286) 7.100 7.515 ( -1.544 -3.998 -1.636) 4.587 7.717 ( -5.550 0.743 -1.858) 5.899 7.965 ( -4.562 0.070 1.426) 4.780 8.050 ( 8.299 -3.111 2.749) 9.279 8.197 ( 6.308 2.130 -0.157) 6.660 8.254 ( 6.219 -0.766 -0.219) 6.269 8.450 ( 6.396 -2.404 2.317) 7.215 8.642 ( 2.098 -14.582 -5.514) 15.731 8.931 ( -7.618 -1.323 -1.413) 7.860 9.080 ( 1.323 12.449 0.143) 12.520 9.383 ( -9.435 0.612 -0.589) 9.473 9.544 ( -3.802 0.640 -1.104) 4.011 9.802 ( -0.459 6.696 1.495) 6.876 9.846 ( 3.305 7.893 4.057) 9.470 10.120 ( 5.655 -0.579 -1.068) 5.784 10.280 ( 12.464 3.552 -1.727) 13.075 10.672 ( 1.625 -9.993 0.001) 10.124 10.771 ( 1.549 -0.591 3.504) 3.876 11.339 ( 7.165 1.393 -10.090) 12.454 11.376 ( 5.797 -1.326 1.971) 6.265 11.571 ( -0.160 2.273 2.575) 3.438 11.715 ( 4.960 3.307 -1.338) 6.110 11.951 ( -2.553 0.453 -0.994) 2.777 12.194 ( -0.534 -2.285 -0.670) 2.440 12.381 ( 1.497 -1.922 0.521) 2.491 12.507 ( 0.608 -17.641 -9.900) 20.239 12.702 ( -0.036 0.269 -0.913) 0.952 12.976 ( -3.271 -6.818 2.550) 7.980 13.187 ( -4.743 4.474 -0.737) 6.561 13.444 ( -10.957 5.918 0.069) 12.453 13.450 ( -4.437 7.056 -0.799) 8.373 13.564 ( -4.616 0.450 -0.069) 4.639 13.616 ( -10.116 -3.120 -1.152) 10.649 13.817 ( 2.450 -0.490 1.399) 2.864 14.073 ( -7.639 3.934 1.681) 8.756 14.596 ( -0.920 5.336 9.428) 10.872 14.949 ( -1.513 5.695 0.765) 5.942 17.043 ( -0.230 -5.547 3.343) 6.480 17.543 ( 3.240 0.480 -8.428) 9.042 17.692 ( -17.967 3.946 -4.337) 18.899 18.020 ( -0.008 -3.904 1.404) 4.148 18.164 ( -2.821 7.208 6.731) 10.258 18.380 ( 6.016 2.071 1.138) 6.464 18.494 ( -1.241 -3.981 3.302) 5.319 18.581 ( 4.362 -0.159 -2.433) 4.997 19.059 ( 3.183 -1.365 0.142) 3.466 19.408 ( -3.074 0.771 0.139) 3.172 19.680 ( -5.137 6.108 -1.272) 8.082 19.929 ( -6.872 -4.022 -0.694) 7.992 20.214 ( 16.160 -4.579 -1.264) 16.844 20.503 ( 0.470 14.393 -3.667) 14.860 20.662 ( -4.423 7.321 -0.143) 8.555 21.030 ( 8.498 -5.198 7.746) 12.619 21.499 ( 4.499 -13.304 -0.505) 14.054 21.573 ( 7.699 -15.035 -4.619) 17.512 22.444 ( 2.238 1.123 0.378) 2.532 22.486 ( 2.366 -1.350 0.226) 2.733 22.722 ( -9.514 2.871 -8.605) 13.145 23.503 ( 2.383 -0.076 -1.017) 2.593 23.564 ( 5.806 1.150 0.448) 5.936 24.447 ( -6.120 3.641 4.027) 8.181 ======================= Grid point 80 (32/78) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -1.526 -5.162 -0.472) 5.404 1.212 ( -3.539 -9.475 0.338) 10.120 1.562 ( -0.152 -2.169 0.075) 2.176 1.578 ( 0.454 4.637 6.852) 8.286 1.858 ( 9.572 3.132 -2.732) 10.435 1.883 ( 8.797 0.488 3.642) 9.533 1.967 ( 10.484 7.350 -3.804) 13.357 2.018 ( 3.078 1.335 -1.810) 3.812 2.095 ( -2.473 1.848 4.508) 5.464 2.239 ( 1.993 1.834 0.033) 2.709 2.279 ( 0.159 0.456 -3.741) 3.772 2.305 ( -1.742 2.103 -8.519) 8.946 2.593 ( 3.156 1.119 -0.488) 3.384 2.689 ( -4.454 -14.091 0.661) 14.793 2.787 ( -4.426 -1.315 -0.619) 4.658 2.794 ( -4.188 -0.965 0.126) 4.299 2.930 ( -5.807 -10.743 6.787) 13.971 3.051 ( -1.247 -4.034 -4.115) 5.896 3.156 ( 6.301 -8.147 -0.143) 10.300 3.438 ( 12.864 -6.596 2.799) 14.725 3.440 ( -8.438 -6.872 12.058) 16.242 3.581 ( 4.614 -7.004 -9.525) 12.691 3.897 ( 14.613 -9.405 -0.921) 17.402 4.021 ( -0.736 5.336 -4.691) 7.142 4.038 ( 3.797 -8.265 1.138) 9.167 4.211 ( -3.504 10.064 -2.501) 10.946 4.243 ( 3.356 0.749 -1.616) 3.800 4.326 ( 1.965 2.848 4.199) 5.441 4.436 ( 3.756 -1.042 3.502) 5.240 4.587 ( -3.869 -3.483 -1.863) 5.529 4.766 ( 5.342 -0.516 0.199) 5.370 5.081 ( -6.674 -0.387 -2.120) 7.013 5.185 ( -2.364 5.185 5.641) 8.019 5.354 ( -8.252 7.851 0.790) 11.418 5.465 ( -2.955 0.620 2.119) 3.688 5.565 ( -2.294 8.783 0.624) 9.099 5.844 ( 2.641 -0.516 -0.044) 2.692 5.921 ( 0.735 1.132 -2.354) 2.714 6.064 ( -3.443 -0.654 -0.407) 3.528 6.308 ( 1.689 -2.132 2.420) 3.641 6.395 ( 2.085 5.090 1.301) 5.652 6.617 ( 5.192 6.481 1.177) 8.387 6.664 ( 5.211 4.524 -3.337) 7.666 6.975 ( -2.590 -11.093 -0.919) 11.428 7.086 ( -2.576 -5.933 -1.408) 6.619 7.236 ( 3.934 -0.986 1.181) 4.225 7.514 ( 4.507 -3.667 1.886) 6.109 7.562 ( -1.231 -4.419 -3.358) 5.685 7.708 ( -2.273 -3.667 -1.136) 4.461 7.994 ( -1.902 -1.650 -1.233) 2.804 8.075 ( 2.229 3.091 3.191) 4.971 8.230 ( 7.556 -1.344 1.841) 7.892 8.276 ( 0.503 2.176 -0.034) 2.233 8.627 ( 4.225 -7.209 1.670) 8.521 8.738 ( -0.044 4.756 -5.983) 7.644 8.879 ( -4.944 -3.497 1.645) 6.275 8.973 ( -1.625 2.996 1.542) 3.741 9.283 ( -4.824 -0.224 -2.323) 5.359 9.533 ( -1.952 0.099 1.015) 2.202 9.724 ( 0.308 0.206 1.974) 2.009 9.738 ( 1.575 6.465 2.141) 6.990 10.142 ( 5.461 3.498 0.127) 6.486 10.260 ( 3.846 5.695 -3.403) 7.669 10.764 ( 3.547 5.117 3.038) 6.928 10.907 ( 3.569 -10.565 0.840) 11.183 11.330 ( 0.290 1.604 -1.489) 2.208 11.410 ( 1.969 3.850 -0.421) 4.345 11.585 ( 5.823 -1.724 -0.243) 6.078 11.688 ( 5.427 6.576 -0.963) 8.580 11.942 ( -3.169 -4.179 -0.057) 5.245 12.244 ( 2.626 -3.110 0.166) 4.074 12.454 ( 1.378 -4.435 0.598) 4.682 12.574 ( -3.762 2.934 -3.025) 5.649 12.721 ( -6.355 -3.397 -3.959) 8.222 13.009 ( -5.100 8.384 0.049) 9.814 13.113 ( -1.154 -1.753 -2.245) 3.074 13.181 ( -6.404 0.911 -1.624) 6.669 13.378 ( -2.092 1.364 -0.630) 2.575 13.527 ( -7.966 2.021 1.085) 8.290 13.554 ( -5.585 -5.888 -0.901) 8.165 13.803 ( 0.739 5.078 2.079) 5.537 13.992 ( -2.226 -0.736 -0.289) 2.362 14.482 ( -3.792 6.586 4.626) 8.896 14.839 ( -0.737 5.538 1.141) 5.702 17.147 ( -0.594 -4.937 0.461) 4.994 17.429 ( -6.681 4.438 -6.670) 10.432 17.593 ( -1.668 -2.703 2.604) 4.107 17.988 ( -0.875 4.823 4.156) 6.426 18.217 ( 1.900 -7.856 1.529) 8.226 18.417 ( -0.240 -0.708 0.703) 1.026 18.512 ( 5.759 -1.649 -3.767) 7.076 18.724 ( 9.804 -2.475 -1.232) 10.186 19.137 ( 7.041 -1.743 0.713) 7.289 19.365 ( -4.464 -0.604 0.029) 4.505 19.506 ( -7.287 5.484 -1.409) 9.228 19.933 ( -3.920 -2.048 0.844) 4.503 20.213 ( -9.240 10.873 0.252) 14.271 20.377 ( 8.955 -0.345 -6.798) 11.248 20.469 ( -5.754 8.323 0.071) 10.118 21.145 ( 8.683 3.858 12.746) 15.898 21.755 ( 1.907 -12.684 -0.639) 12.843 21.907 ( 5.709 -14.318 -3.853) 15.888 22.412 ( 0.135 3.944 -0.281) 3.957 22.540 ( -1.679 -2.463 -4.209) 5.158 22.582 ( -4.088 0.652 -1.185) 4.306 23.520 ( 1.932 0.387 -0.776) 2.118 23.599 ( 4.521 1.130 0.817) 4.731 24.353 ( -3.646 2.638 2.839) 5.320 ======================= Grid point 81 (33/78) ======================= q-point: ( 0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.934 -4.357 0.328) 4.779 1.317 ( -1.077 -5.782 -0.310) 5.889 1.525 ( 5.193 5.439 1.669) 7.703 1.586 ( 1.314 -1.218 -1.468) 2.316 1.843 ( 17.431 14.865 -8.679) 24.498 1.886 ( 7.029 2.811 -3.916) 8.523 1.927 ( 8.966 5.022 -2.026) 10.474 1.996 ( -2.573 0.097 -2.017) 3.271 2.056 ( -1.554 2.328 -0.989) 2.969 2.176 ( 2.403 3.752 -3.313) 5.552 2.240 ( 0.688 0.087 -0.943) 1.171 2.326 ( -1.626 -5.410 0.237) 5.654 2.514 ( 0.390 5.153 -2.278) 5.647 2.737 ( 0.197 1.393 -0.929) 1.686 2.774 ( -2.499 0.420 3.860) 4.618 2.907 ( -5.569 -3.403 -6.114) 8.942 3.009 ( 0.238 -4.371 4.555) 6.317 3.143 ( -5.909 -13.709 9.111) 17.489 3.371 ( -3.980 -5.547 10.312) 12.367 3.513 ( -4.747 -8.402 -1.257) 9.732 3.647 ( 3.446 -6.664 -2.227) 7.826 3.739 ( 3.447 -4.922 -0.344) 6.019 3.945 ( -4.158 1.175 -2.853) 5.178 3.981 ( 0.897 1.216 0.394) 1.561 4.037 ( -7.994 2.103 -2.570) 8.656 4.214 ( 5.287 3.424 -0.463) 6.316 4.268 ( 0.931 -1.531 2.350) 2.955 4.381 ( 9.947 -2.497 1.300) 10.338 4.525 ( 3.186 -3.160 2.614) 5.194 4.567 ( -1.797 0.227 -0.534) 1.889 4.845 ( 6.124 0.035 -0.439) 6.140 5.039 ( 0.276 0.804 -0.141) 0.862 5.114 ( -0.900 3.207 5.631) 6.543 5.176 ( -5.373 1.637 -1.751) 5.883 5.395 ( -1.398 7.728 -1.176) 7.941 5.442 ( -3.206 -0.412 -1.157) 3.434 5.853 ( -2.898 -2.062 0.338) 3.573 5.906 ( 1.997 1.585 0.251) 2.562 6.105 ( 4.027 -2.614 1.031) 4.910 6.311 ( 3.856 8.199 1.723) 9.223 6.392 ( 2.152 -2.980 0.072) 3.676 6.501 ( -0.051 7.855 -1.125) 7.935 6.646 ( 2.912 3.832 -0.597) 4.850 7.084 ( -3.467 -5.876 -1.415) 6.968 7.116 ( -4.401 -4.800 -1.665) 6.722 7.285 ( 0.631 1.430 0.643) 1.690 7.646 ( 6.015 -5.604 -0.040) 8.221 7.662 ( 1.300 -7.269 -2.101) 7.678 7.763 ( -0.630 -4.062 -1.585) 4.406 7.878 ( 2.856 7.629 1.010) 8.208 8.170 ( -0.062 2.328 2.213) 3.213 8.227 ( -3.237 -4.805 -1.491) 5.982 8.335 ( 5.658 -2.088 2.931) 6.705 8.550 ( -1.593 10.404 0.781) 10.555 8.736 ( -1.677 -2.352 1.270) 3.156 8.834 ( -12.373 1.396 -3.391) 12.905 8.978 ( 3.182 -5.774 1.992) 6.887 9.291 ( -1.140 -1.256 1.376) 2.184 9.451 ( -0.545 3.578 0.530) 3.658 9.646 ( -1.295 4.629 -0.395) 4.823 9.892 ( 3.161 -10.292 0.149) 10.767 10.118 ( 4.931 5.812 -0.109) 7.623 10.220 ( 1.943 -2.024 -0.807) 2.919 10.622 ( 1.248 14.880 1.269) 14.986 11.098 ( 1.486 -7.062 0.416) 7.228 11.303 ( 0.261 1.342 0.142) 1.374 11.339 ( -0.916 3.218 1.043) 3.505 11.574 ( 2.661 10.323 -0.666) 10.681 11.677 ( 3.781 -1.661 -2.446) 4.800 12.047 ( -1.630 -10.452 0.234) 10.581 12.347 ( 2.389 -3.368 -1.042) 4.259 12.450 ( -4.356 3.096 -1.349) 5.512 12.536 ( 1.184 -2.176 -1.571) 2.933 12.623 ( -4.697 5.976 -1.177) 7.691 12.755 ( 0.017 8.296 -0.025) 8.296 13.135 ( -1.015 -2.805 -0.279) 2.996 13.206 ( -0.958 -1.629 -1.153) 2.214 13.350 ( 0.566 -0.250 -1.295) 1.435 13.424 ( -5.387 1.219 -0.887) 5.594 13.650 ( 0.472 -5.127 1.351) 5.323 13.733 ( -3.549 -1.354 -0.718) 3.866 14.014 ( 1.331 -0.887 4.573) 4.845 14.370 ( -4.256 1.689 -0.900) 4.667 14.760 ( -0.822 3.378 1.080) 3.641 17.190 ( -0.391 -2.004 -2.549) 3.266 17.306 ( -3.010 2.198 -5.171) 6.374 17.698 ( -0.056 -6.912 6.551) 9.523 17.921 ( -0.465 3.863 7.547) 8.490 18.323 ( 1.582 -0.260 0.239) 1.621 18.463 ( -1.051 -6.852 -2.369) 7.326 18.617 ( 4.643 -2.702 -1.672) 5.627 18.771 ( 6.198 4.971 -6.028) 9.973 19.226 ( 8.208 3.527 -0.126) 8.934 19.335 ( -3.851 -0.377 -0.684) 3.929 19.417 ( -0.747 -3.084 0.104) 3.175 19.869 ( -2.114 5.398 1.733) 6.051 20.051 ( -9.911 -5.082 0.050) 11.138 20.272 ( -9.808 5.071 -0.411) 11.049 20.403 ( 6.029 3.512 -3.507) 7.809 21.183 ( 6.529 4.206 8.335) 11.393 21.947 ( 2.968 -7.157 -1.751) 7.943 22.134 ( 3.691 -8.064 -1.222) 8.952 22.325 ( 0.007 5.628 -0.510) 5.651 22.481 ( -4.500 -0.435 -5.634) 7.224 22.616 ( -2.557 -2.654 4.148) 5.549 23.521 ( 1.037 1.070 -0.514) 1.576 23.616 ( 2.509 1.350 0.560) 2.903 24.304 ( -1.760 0.901 1.778) 2.659 ======================= Grid point 82 (34/78) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.476 -2.836 -0.171) 2.881 1.398 ( 3.090 -2.882 -0.706) 4.284 1.495 ( 6.668 5.253 -0.636) 8.512 1.660 ( 8.472 -2.114 1.506) 8.861 1.789 ( 2.267 6.400 -9.707) 11.846 1.858 ( 8.004 4.813 -6.147) 11.181 1.894 ( 11.600 6.043 0.043) 13.080 1.989 ( 7.178 5.260 -4.133) 9.812 2.020 ( 4.912 -4.160 -4.840) 8.054 2.204 ( 1.050 0.210 1.247) 1.644 2.287 ( 1.760 -5.250 2.999) 6.297 2.409 ( -0.763 -2.615 0.361) 2.747 2.454 ( -0.330 -1.322 1.386) 1.944 2.692 ( 1.388 3.730 -4.098) 5.713 2.736 ( -6.681 0.135 1.091) 6.771 2.823 ( -5.327 1.937 -0.686) 5.709 3.095 ( -2.544 -3.002 -0.162) 3.938 3.283 ( -4.094 0.806 10.855) 11.629 3.386 ( -1.232 -0.735 8.630) 8.748 3.514 ( -13.706 2.507 0.019) 13.934 3.663 ( -12.658 2.940 -2.704) 13.273 3.736 ( 0.506 -3.591 1.740) 4.022 3.851 ( 0.506 6.142 -3.805) 7.243 3.970 ( -0.710 -4.296 -3.767) 5.757 4.073 ( 0.118 -5.274 0.233) 5.280 4.150 ( 3.623 9.345 0.783) 10.053 4.292 ( -2.456 -3.405 2.369) 4.821 4.404 ( 0.889 3.745 -0.770) 3.926 4.501 ( -2.372 3.971 0.320) 4.636 4.695 ( 5.002 -7.204 1.145) 8.845 4.798 ( 3.729 11.516 1.558) 12.204 5.027 ( 1.223 -0.102 1.039) 1.609 5.119 ( -1.037 -1.905 4.756) 5.227 5.234 ( 4.745 -3.651 -2.595) 6.525 5.311 ( -0.530 -3.082 -1.014) 3.287 5.403 ( -2.482 0.711 -3.295) 4.186 5.890 ( -4.071 -6.401 0.253) 7.590 5.911 ( 2.368 0.861 2.223) 3.360 6.165 ( 3.322 3.641 -0.407) 4.945 6.179 ( 2.685 10.434 1.449) 10.871 6.405 ( 1.169 -0.545 -2.330) 2.663 6.453 ( 1.509 -0.772 1.459) 2.237 6.572 ( -1.271 5.276 -0.324) 5.436 7.052 ( -13.787 -4.663 -0.376) 14.559 7.166 ( 5.790 4.748 -0.070) 7.488 7.330 ( 0.247 -8.988 -2.147) 9.244 7.661 ( 2.087 9.587 3.679) 10.478 7.750 ( 6.226 0.592 -3.458) 7.147 7.845 ( 0.039 -5.445 -7.588) 9.340 7.869 ( 1.110 -1.135 -0.014) 1.588 8.058 ( -1.059 5.029 5.677) 7.658 8.231 ( -7.686 0.023 -1.270) 7.790 8.377 ( -1.888 11.629 3.347) 12.248 8.447 ( 4.252 -3.175 1.834) 5.614 8.720 ( -4.408 -7.183 0.198) 8.430 8.811 ( -3.118 -3.998 1.453) 5.274 9.106 ( 5.348 -3.178 0.870) 6.281 9.250 ( -2.193 2.390 2.024) 3.823 9.467 ( -1.321 -3.098 -1.134) 3.554 9.547 ( -3.443 2.663 0.004) 4.353 9.984 ( 2.040 2.745 0.324) 3.435 10.078 ( 1.272 1.762 -0.304) 2.194 10.312 ( 1.571 10.959 -0.787) 11.099 10.426 ( 1.738 -8.011 0.582) 8.218 11.120 ( -4.013 2.551 0.552) 4.787 11.262 ( 0.488 3.304 -1.034) 3.496 11.361 ( 1.882 -1.985 1.511) 3.125 11.426 ( -0.890 5.499 0.562) 5.598 11.683 ( -0.765 0.679 -3.485) 3.632 12.217 ( -2.102 -3.933 -1.201) 4.618 12.314 ( -5.438 -7.085 0.042) 8.932 12.327 ( 1.051 10.691 -1.630) 10.865 12.560 ( -0.012 -0.070 -0.320) 0.328 12.627 ( 5.015 -6.467 -3.549) 8.920 12.769 ( 6.318 -3.299 1.096) 7.211 13.170 ( 0.324 -2.263 -0.746) 2.404 13.221 ( -0.608 -2.183 1.727) 2.849 13.354 ( -0.085 2.596 -2.232) 3.424 13.407 ( 2.752 -3.878 -3.176) 5.719 13.683 ( -1.105 -2.045 2.024) 3.082 13.811 ( -1.197 -5.485 3.053) 6.390 14.109 ( 6.424 -4.694 4.694) 9.238 14.328 ( -5.140 -2.999 -4.908) 7.714 14.704 ( -1.962 2.142 0.681) 2.983 17.223 ( 0.054 -2.396 -2.961) 3.809 17.256 ( 0.791 -0.633 -5.565) 5.656 17.757 ( -1.927 2.220 9.205) 9.663 17.967 ( -0.394 -6.270 9.787) 11.629 18.314 ( 3.383 2.665 -4.097) 5.944 18.501 ( -2.027 1.083 -2.552) 3.434 18.638 ( -0.966 3.700 -3.205) 4.989 18.678 ( 0.743 4.993 -4.557) 6.801 19.149 ( 2.375 9.531 -0.358) 9.829 19.360 ( 1.171 -5.458 -1.009) 5.673 19.526 ( 7.005 -3.779 0.029) 7.959 19.881 ( 2.710 -5.153 1.601) 6.039 20.071 ( -10.561 -0.452 -0.929) 10.612 20.124 ( -7.002 -5.775 -0.084) 9.076 20.397 ( 4.073 1.608 1.990) 4.810 21.187 ( 1.429 1.932 1.296) 2.730 22.055 ( 5.976 -1.310 -2.927) 6.782 22.193 ( -0.735 7.887 -2.865) 8.424 22.271 ( 2.985 -2.627 2.852) 4.894 22.459 ( -1.402 -2.092 -2.306) 3.415 22.613 ( -6.587 -0.692 3.941) 7.707 23.502 ( 0.152 1.642 -0.186) 1.660 23.603 ( 0.325 1.893 -0.203) 1.931 24.297 ( -0.609 -0.780 1.820) 2.071 ======================= Grid point 83 (35/78) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.397 2.675 -0.940) 2.863 1.433 ( 2.677 9.700 8.270) 13.025 1.462 ( 3.311 0.836 -2.552) 4.263 1.613 ( 4.104 11.234 -0.333) 11.965 1.769 ( 3.832 3.861 1.857) 5.749 1.860 ( -2.017 -1.562 -2.678) 3.698 1.956 ( 6.519 0.013 0.677) 6.554 1.985 ( 21.637 7.901 -0.993) 23.056 2.178 ( 2.103 -0.413 -1.132) 2.424 2.221 ( 4.807 -9.575 -6.426) 12.493 2.367 ( 1.902 2.640 -1.505) 3.584 2.424 ( 0.116 -3.376 1.646) 3.757 2.530 ( -10.175 0.438 -0.039) 10.185 2.621 ( 0.032 -1.391 1.440) 2.002 2.640 ( -3.695 1.621 -4.259) 5.867 2.759 ( -3.550 1.136 2.975) 4.769 2.992 ( -7.499 7.615 5.335) 11.945 3.128 ( -21.998 8.065 -5.188) 23.998 3.247 ( -2.090 -1.509 -4.794) 5.443 3.420 ( 7.667 4.017 2.299) 8.956 3.544 ( -5.794 6.546 7.340) 11.414 3.766 ( 4.429 4.310 3.217) 6.967 3.789 ( 3.397 14.266 0.994) 14.699 3.950 ( 0.531 -3.463 1.877) 3.975 4.039 ( -0.549 3.693 -5.274) 6.462 4.112 ( -1.525 -2.622 -2.914) 4.206 4.296 ( -1.860 3.983 -2.379) 4.998 4.368 ( -2.631 -0.823 -0.239) 2.767 4.504 ( -2.658 -9.148 2.530) 9.856 4.558 ( -0.623 14.257 3.298) 14.647 4.868 ( 5.732 -3.555 0.553) 6.767 5.055 ( 3.035 -0.448 1.178) 3.287 5.137 ( -5.663 -1.510 0.821) 5.918 5.325 ( -0.081 -4.414 -3.080) 5.383 5.356 ( 2.036 -2.944 2.818) 4.556 5.484 ( 3.438 -9.552 -0.511) 10.165 5.931 ( 0.017 -1.281 2.453) 2.768 5.944 ( 1.150 13.384 0.259) 13.436 6.010 ( -1.982 -10.256 -0.839) 10.480 6.189 ( 0.806 -1.340 -0.664) 1.698 6.398 ( -1.482 0.567 -3.862) 4.175 6.462 ( -2.163 4.477 -0.743) 5.027 6.553 ( 6.589 -3.789 3.800) 8.498 7.008 ( -9.701 -4.697 -0.796) 10.807 7.102 ( 1.227 7.696 3.290) 8.459 7.421 ( -0.349 9.012 -3.594) 9.708 7.491 ( 2.174 2.745 -0.343) 3.519 7.752 ( 3.121 4.533 -5.415) 7.721 7.815 ( 1.221 2.721 -2.229) 3.723 7.923 ( 5.349 0.981 5.542) 7.765 8.046 ( -8.900 8.432 -0.636) 12.277 8.100 ( -3.976 -8.178 3.416) 9.714 8.237 ( -2.936 0.892 0.283) 3.082 8.505 ( 1.285 0.052 -0.394) 1.345 8.709 ( 1.142 8.073 3.989) 9.077 8.965 ( 0.325 -10.730 -0.951) 10.777 9.170 ( 4.322 2.202 -0.301) 4.860 9.276 ( 5.473 -4.866 2.873) 7.866 9.425 ( -7.301 -1.328 -0.698) 7.453 9.549 ( -5.213 -3.765 3.074) 7.128 9.831 ( -1.267 12.463 2.147) 12.710 10.101 ( 0.195 -3.839 0.006) 3.844 10.178 ( 4.372 5.890 -5.347) 9.077 10.623 ( -1.441 -9.436 0.843) 9.583 11.016 ( -0.475 5.211 0.237) 5.238 11.184 ( -1.098 4.744 -1.341) 5.051 11.336 ( -1.921 0.782 1.825) 2.763 11.451 ( -0.632 -3.358 1.629) 3.785 11.664 ( -0.721 -1.491 -4.468) 4.765 12.115 ( 1.037 8.728 -0.107) 8.790 12.213 ( -2.808 0.099 -0.806) 2.923 12.485 ( 0.636 0.934 0.021) 1.130 12.526 ( -1.103 -6.812 0.118) 6.902 12.812 ( 4.896 -8.780 -5.778) 11.595 12.930 ( 3.960 -7.986 0.049) 8.914 13.209 ( -2.295 1.510 -1.789) 3.278 13.254 ( 2.544 -4.017 0.593) 4.792 13.366 ( 5.008 -3.602 -2.493) 6.653 13.507 ( 2.752 -4.611 -1.690) 5.629 13.726 ( -2.348 -3.683 2.259) 4.917 13.889 ( 0.068 -2.859 5.135) 5.877 14.238 ( 5.259 1.112 -4.563) 7.051 14.406 ( -0.384 -13.587 -0.020) 13.592 14.646 ( -4.992 0.590 0.625) 5.065 17.203 ( 0.305 2.761 -2.133) 3.502 17.338 ( 3.502 -5.934 -4.534) 8.248 17.755 ( -3.572 -3.798 11.236) 12.387 18.079 ( -0.512 -2.924 3.173) 4.345 18.278 ( 3.506 4.227 -5.673) 7.896 18.427 ( -0.592 3.299 -1.496) 3.670 18.461 ( -3.413 9.183 -3.812) 10.512 18.588 ( -0.017 5.735 -1.890) 6.038 19.048 ( -0.685 2.301 0.701) 2.501 19.491 ( 1.691 -6.624 -0.984) 6.907 19.648 ( 12.444 2.035 -0.090) 12.610 19.894 ( -12.985 2.591 0.914) 13.272 20.015 ( 1.664 -5.111 -0.431) 5.393 20.278 ( 0.785 -11.725 0.083) 11.752 20.465 ( 1.862 -4.770 4.611) 6.891 21.152 ( -4.580 -0.171 -4.100) 6.150 21.985 ( -1.340 13.771 -0.574) 13.848 22.073 ( 6.185 6.067 -8.664) 12.252 22.358 ( 2.225 -3.563 3.023) 5.176 22.472 ( -2.342 0.312 0.208) 2.372 22.569 ( -2.540 -1.042 4.845) 5.569 23.470 ( -0.273 1.853 0.201) 1.884 23.560 ( -1.177 2.224 -0.966) 2.695 24.330 ( -0.215 -2.697 3.186) 4.180 ======================= Grid point 84 (36/78) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.267 6.453 -1.074) 6.547 1.262 ( 2.290 16.495 13.982) 21.745 1.366 ( 1.345 15.525 14.414) 21.227 1.436 ( 4.059 14.133 -0.230) 14.706 1.711 ( -0.381 7.122 -0.156) 7.133 1.811 ( -2.229 0.256 -3.722) 4.346 1.919 ( -2.647 4.104 -2.727) 5.593 2.053 ( -4.819 15.676 3.103) 16.691 2.114 ( 0.984 4.921 1.884) 5.361 2.184 ( 1.849 5.090 1.530) 5.628 2.341 ( 1.985 22.519 2.862) 22.787 2.362 ( 2.818 6.285 0.431) 6.902 2.425 ( 1.845 -1.548 -4.989) 5.540 2.595 ( -1.222 -12.328 -2.305) 12.601 2.691 ( 0.000 -2.280 -3.610) 4.270 2.791 ( -5.954 -7.468 1.383) 9.651 2.841 ( 3.471 -0.388 -0.948) 3.619 3.078 ( 2.243 -7.619 -6.950) 10.553 3.247 ( 1.802 3.358 -3.718) 5.324 3.262 ( -2.389 8.638 -0.268) 8.967 3.473 ( 0.674 7.896 -1.843) 8.136 3.557 ( -0.073 1.299 0.110) 1.306 3.783 ( 3.107 2.501 9.613) 10.408 3.960 ( -5.510 -0.821 -3.953) 6.831 3.982 ( 0.390 15.432 -3.098) 15.745 4.096 ( 0.062 -5.594 2.888) 6.296 4.237 ( 3.093 -1.359 -3.840) 5.114 4.340 ( -2.540 -0.861 0.028) 2.682 4.418 ( -2.947 3.425 3.121) 5.492 4.659 ( -0.097 -6.732 2.487) 7.177 4.885 ( -1.697 4.251 -2.427) 5.181 5.123 ( 2.449 -3.618 -0.105) 4.370 5.159 ( 2.770 -6.578 4.748) 8.572 5.374 ( -4.025 -7.292 -0.983) 8.387 5.542 ( 3.400 -10.298 5.405) 12.117 5.693 ( 0.613 -11.077 2.229) 11.316 5.768 ( -0.094 6.683 0.648) 6.715 5.967 ( -0.139 -2.180 1.156) 2.472 6.193 ( 0.884 -4.284 -1.153) 4.524 6.218 ( 0.643 -7.717 -1.603) 7.907 6.365 ( -4.369 2.786 0.337) 5.192 6.388 ( 0.952 -1.557 -0.941) 2.054 6.675 ( 0.903 -3.463 2.807) 4.548 6.932 ( -0.427 8.023 1.602) 8.193 7.049 ( 4.016 2.163 -0.687) 4.613 7.178 ( -3.808 11.321 -2.425) 12.187 7.380 ( 1.260 12.691 -1.047) 12.796 7.632 ( -0.479 5.373 -5.079) 7.409 7.808 ( -3.108 -2.308 3.458) 5.190 7.912 ( 0.865 3.125 4.290) 5.378 7.989 ( 5.217 2.004 -2.249) 6.024 8.150 ( -2.901 0.759 -1.056) 3.179 8.256 ( -2.326 -4.694 3.360) 6.223 8.411 ( 0.693 10.609 -1.286) 10.710 8.692 ( 3.199 -5.109 6.154) 8.615 8.995 ( 0.740 5.105 -6.912) 8.625 9.175 ( -0.024 1.428 0.412) 1.486 9.446 ( -0.285 -8.846 2.243) 9.130 9.494 ( 4.341 -6.270 4.482) 8.845 9.559 ( -6.476 -7.471 0.883) 9.926 9.683 ( -1.899 3.637 1.137) 4.258 10.091 ( 3.343 6.844 -3.593) 8.421 10.157 ( -0.233 -1.129 -1.583) 1.958 10.703 ( -1.466 -2.270 -0.268) 2.715 10.951 ( -2.150 3.070 -1.796) 4.156 11.091 ( 3.261 4.882 -0.893) 5.938 11.324 ( -1.983 0.006 3.400) 3.936 11.501 ( -0.528 -2.535 1.639) 3.064 11.682 ( -0.159 -2.286 -3.621) 4.285 12.016 ( 0.190 3.174 0.109) 3.182 12.211 ( -0.540 -1.184 -0.762) 1.508 12.405 ( 0.255 4.957 1.404) 5.158 12.632 ( 0.026 -3.138 -1.214) 3.365 12.911 ( 5.511 3.380 -14.160) 15.566 13.078 ( 1.996 -1.143 0.443) 2.342 13.171 ( -2.027 -5.675 -1.631) 6.243 13.355 ( 1.569 -4.785 -0.695) 5.083 13.490 ( 0.513 -5.764 -2.736) 6.401 13.601 ( 0.911 -4.957 -0.813) 5.105 13.773 ( -0.639 -2.866 1.041) 3.116 13.911 ( -1.868 1.716 1.187) 2.801 14.244 ( -2.634 -4.021 -3.094) 5.716 14.553 ( -4.917 -0.359 2.375) 5.473 14.716 ( 0.676 -14.567 1.409) 14.651 17.124 ( 0.058 6.343 2.379) 6.775 17.467 ( 3.215 -6.029 -3.777) 7.807 17.929 ( -3.992 -16.823 6.042) 18.316 18.096 ( -1.978 -1.610 -2.271) 3.415 18.169 ( 2.935 6.600 -7.496) 10.410 18.233 ( -1.935 10.947 -0.730) 11.141 18.430 ( 2.108 2.089 2.470) 3.861 18.547 ( 1.571 -2.588 0.590) 3.085 19.032 ( -1.107 -0.218 0.832) 1.402 19.592 ( 2.281 -2.645 1.121) 3.668 19.617 ( -4.659 6.214 -1.246) 7.866 19.790 ( 5.697 4.416 2.351) 7.582 20.109 ( 1.420 -3.684 -0.693) 4.008 20.470 ( -0.377 -8.908 -1.048) 8.978 20.605 ( 0.115 -8.127 2.080) 8.389 21.074 ( -8.401 -0.228 -5.874) 10.254 21.703 ( -0.147 17.648 -1.033) 17.679 21.852 ( 0.733 19.563 -13.345) 23.692 22.413 ( -2.367 0.012 1.713) 2.922 22.440 ( 1.770 0.207 1.037) 2.062 22.680 ( 6.403 -6.788 4.822) 10.504 23.440 ( 0.214 1.487 0.942) 1.773 23.508 ( -1.081 1.814 -1.146) 2.402 24.409 ( -0.760 -5.499 5.478) 7.800 ======================= Grid point 87 (37/78) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.215 -0.000 0.333) 0.397 0.994 ( 0.399 -0.000 -0.882) 0.968 1.478 ( 9.569 -0.000 10.164) 13.960 1.512 ( 0.191 -0.000 6.201) 6.204 1.676 ( 4.466 -0.000 20.089) 20.580 1.837 ( -2.171 0.000 -5.130) 5.571 1.883 ( -1.499 0.000 -4.077) 4.344 2.010 ( 1.228 -0.000 -1.117) 1.660 2.084 ( 3.656 -0.000 -2.882) 4.655 2.184 ( -5.220 0.000 -0.689) 5.265 2.240 ( 7.251 -0.000 -1.132) 7.339 2.359 ( -0.211 0.000 3.740) 3.746 2.584 ( 6.439 -0.000 -6.939) 9.466 2.700 ( 10.289 -0.000 7.493) 12.728 2.799 ( -1.957 0.000 -0.265) 1.975 2.814 ( 1.456 -0.000 1.187) 1.879 2.879 ( 21.673 -0.000 -6.208) 22.545 3.049 ( -4.369 0.000 6.687) 7.987 3.167 ( 9.146 -0.000 -13.910) 16.648 3.226 ( 6.732 -0.000 -2.998) 7.370 3.356 ( -6.506 0.000 12.564) 14.149 3.362 ( -1.253 0.000 0.867) 1.524 3.715 ( 7.016 -0.000 3.542) 7.859 3.847 ( 3.965 -0.000 -11.870) 12.515 4.084 ( -5.713 0.000 -12.601) 13.835 4.241 ( 5.599 -0.000 -3.499) 6.602 4.358 ( 7.831 -0.000 -2.160) 8.124 4.416 ( -7.373 0.000 2.453) 7.770 4.466 ( 6.304 -0.000 3.488) 7.204 4.616 ( 5.536 -0.000 1.597) 5.761 4.719 ( -8.477 0.000 4.700) 9.693 5.029 ( -8.561 0.000 -3.264) 9.162 5.338 ( -8.660 0.000 6.742) 10.975 5.456 ( -12.151 0.000 2.912) 12.495 5.529 ( -6.209 0.000 4.589) 7.721 5.797 ( 7.520 -0.000 0.445) 7.534 5.866 ( -8.669 0.000 0.084) 8.670 5.923 ( 3.568 -0.000 -2.297) 4.244 6.071 ( -1.552 0.000 4.383) 4.649 6.269 ( -2.740 0.000 -1.145) 2.969 6.381 ( 7.413 -0.000 0.983) 7.478 6.523 ( -1.906 0.000 3.084) 3.626 6.754 ( -0.931 0.000 -2.601) 2.763 6.946 ( 3.289 -0.000 0.343) 3.307 7.047 ( -3.347 0.000 -3.355) 4.740 7.282 ( 11.696 -0.000 0.143) 11.697 7.330 ( -0.477 0.000 2.320) 2.369 7.448 ( -1.942 0.000 -1.483) 2.444 7.652 ( -5.906 0.000 -1.577) 6.113 7.914 ( -7.933 0.000 -0.450) 7.946 8.141 ( 11.236 -0.000 1.794) 11.378 8.269 ( 12.558 -0.000 -0.947) 12.593 8.392 ( 8.119 -0.000 -0.384) 8.128 8.454 ( 4.603 -0.000 1.054) 4.723 8.548 ( 2.216 -0.000 -0.322) 2.239 8.885 ( 0.912 -0.000 -1.791) 2.010 9.193 ( -0.536 0.000 -2.997) 3.044 9.267 ( -9.766 0.000 0.202) 9.768 9.497 ( -7.051 0.000 -1.191) 7.151 9.795 ( -7.929 0.000 1.295) 8.034 9.975 ( 2.732 -0.000 2.431) 3.657 10.214 ( 10.638 -0.000 0.397) 10.645 10.509 ( 16.800 -0.000 -0.746) 16.817 10.535 ( -1.006 0.000 -1.298) 1.642 10.812 ( 3.784 -0.000 5.874) 6.988 11.359 ( 1.835 -0.000 -11.130) 11.280 11.440 ( 8.995 -0.000 1.869) 9.187 11.576 ( -3.549 0.000 2.808) 4.525 11.809 ( 4.246 -0.000 -2.330) 4.843 11.975 ( 5.448 -0.000 -5.593) 7.808 12.141 ( 0.416 -0.000 0.442) 0.607 12.323 ( 1.783 -0.000 -1.809) 2.540 12.395 ( 2.597 -0.000 0.202) 2.605 12.720 ( 0.130 -0.000 -0.569) 0.583 12.877 ( -4.775 0.000 3.788) 6.095 13.173 ( -5.526 0.000 0.436) 5.543 13.326 ( -18.163 0.000 -2.264) 18.304 13.411 ( -17.499 0.000 -1.215) 17.541 13.486 ( -2.367 0.000 -2.030) 3.118 13.565 ( -2.815 0.000 2.745) 3.931 13.848 ( 5.004 -0.000 1.133) 5.131 14.064 ( -3.852 0.000 0.967) 3.971 14.660 ( -4.422 0.000 10.571) 11.459 14.970 ( -3.370 0.000 -0.500) 3.407 17.000 ( -0.212 0.000 3.269) 3.276 17.531 ( -16.069 0.000 -3.572) 16.462 17.555 ( 4.593 -0.000 -9.478) 10.532 17.996 ( 1.565 -0.000 2.127) 2.641 18.284 ( -0.500 0.000 5.995) 6.016 18.296 ( -11.522 0.000 5.072) 12.589 18.551 ( 11.010 -0.000 -1.346) 11.092 18.630 ( 8.954 -0.000 -1.268) 9.044 19.069 ( 2.978 -0.000 0.221) 2.986 19.384 ( -4.365 0.000 0.151) 4.367 19.708 ( -5.094 0.000 -1.017) 5.194 19.737 ( -13.208 0.000 -0.731) 13.228 20.347 ( 16.735 -0.000 -4.965) 17.456 20.691 ( -4.572 0.000 -0.243) 4.578 20.738 ( -4.829 0.000 -0.048) 4.829 21.045 ( 19.982 -0.000 8.935) 21.889 21.410 ( 1.842 -0.000 0.163) 1.849 21.509 ( 8.077 -0.000 -3.315) 8.731 22.482 ( 2.395 -0.000 0.188) 2.403 22.504 ( 3.318 -0.000 0.135) 3.320 22.605 ( -11.326 0.000 -8.767) 14.323 23.527 ( 2.848 -0.000 -1.048) 3.034 23.630 ( 5.317 -0.000 -1.167) 5.444 24.421 ( -6.863 0.000 3.332) 7.629 ======================= Grid point 88 (38/78) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.195 -5.221 0.333) 5.236 1.034 ( -1.405 -5.975 -0.782) 6.188 1.533 ( 0.289 -1.447 0.572) 1.583 1.652 ( -4.938 2.177 11.137) 12.375 1.790 ( 2.439 -14.342 6.878) 16.092 1.850 ( -5.015 -2.457 -1.910) 5.902 1.984 ( -4.196 -0.687 -1.973) 4.687 2.051 ( 4.130 -15.286 1.173) 15.878 2.104 ( 0.628 -3.354 -3.316) 4.758 2.202 ( -1.179 -5.367 -0.254) 5.500 2.268 ( -0.762 -3.000 -1.427) 3.408 2.387 ( -2.816 -6.531 2.722) 7.615 2.551 ( 8.298 8.633 -1.358) 12.052 2.638 ( 6.722 12.842 -0.015) 14.495 2.781 ( 2.354 3.764 -0.558) 4.475 2.789 ( 1.407 3.785 0.821) 4.121 2.970 ( 1.425 7.871 -2.020) 8.250 3.034 ( 3.404 1.443 -4.115) 5.532 3.184 ( 5.505 1.615 -2.759) 6.366 3.298 ( -2.494 -0.535 9.145) 9.494 3.456 ( 14.651 -7.600 -0.729) 16.521 3.540 ( 11.488 -6.241 -0.629) 13.089 3.838 ( 3.042 -6.321 1.596) 7.194 3.939 ( 6.649 -7.982 -7.953) 13.083 4.007 ( -2.884 -2.794 -5.663) 6.942 4.296 ( 5.631 -0.231 -4.443) 7.177 4.317 ( -4.475 6.903 2.942) 8.736 4.409 ( 4.961 -0.558 -1.770) 5.297 4.501 ( -4.121 6.024 5.617) 9.210 4.543 ( 4.422 0.172 1.394) 4.640 4.770 ( 1.302 -4.579 0.344) 4.773 4.947 ( -8.262 -1.476 -3.522) 9.102 5.244 ( -5.069 3.287 3.758) 7.115 5.347 ( -10.780 0.934 2.790) 11.175 5.468 ( -4.466 2.915 7.813) 9.460 5.699 ( -3.925 8.109 -1.081) 9.074 5.888 ( 4.756 -0.373 -1.428) 4.980 5.968 ( 5.503 0.509 0.142) 5.528 6.018 ( -0.096 1.244 -0.010) 1.248 6.282 ( -5.803 -1.505 2.563) 6.519 6.432 ( 4.934 -0.557 1.481) 5.182 6.674 ( 3.042 -9.602 1.463) 10.179 6.718 ( -3.612 -0.950 -1.958) 4.216 6.895 ( 6.522 8.353 -1.614) 10.720 6.986 ( -6.758 -1.977 -2.977) 7.645 7.317 ( 3.228 1.380 4.099) 5.397 7.440 ( 0.046 -6.632 -0.458) 6.648 7.480 ( -0.833 -5.626 0.463) 5.706 7.633 ( 1.175 -0.937 -4.911) 5.136 7.852 ( -4.941 -3.028 -0.075) 5.796 8.229 ( 6.001 2.491 1.450) 6.658 8.346 ( 7.258 4.182 -0.589) 8.398 8.363 ( 4.273 6.032 1.659) 7.576 8.550 ( 0.007 -4.247 -0.379) 4.264 8.674 ( 3.957 -8.061 -2.281) 9.265 8.859 ( 2.115 3.792 -0.697) 4.397 9.102 ( -1.914 7.381 1.534) 7.778 9.215 ( -3.236 -1.681 -2.388) 4.359 9.444 ( -4.925 -3.311 -0.662) 5.971 9.720 ( -5.879 0.308 0.145) 5.889 9.910 ( 0.169 9.062 3.275) 9.637 10.278 ( 8.346 3.750 1.137) 9.220 10.419 ( 3.339 8.040 -3.000) 9.208 10.779 ( 6.549 -9.715 -0.402) 11.723 10.879 ( 6.853 0.898 6.216) 9.295 11.326 ( -1.311 0.256 -6.800) 6.930 11.497 ( 0.186 3.809 2.056) 4.332 11.591 ( 6.106 -2.666 1.313) 6.791 11.830 ( 0.670 -1.676 -0.692) 1.933 11.945 ( 7.813 8.537 -2.823) 11.912 12.197 ( 0.776 -4.172 1.557) 4.520 12.420 ( 2.320 -2.270 -0.146) 3.249 12.458 ( -1.243 -8.564 -5.216) 10.104 12.662 ( -3.873 3.811 -1.100) 5.544 12.920 ( -3.790 -7.419 2.732) 8.767 13.087 ( -4.596 2.168 -2.269) 5.566 13.132 ( -16.343 1.991 -0.376) 16.468 13.266 ( -11.622 -4.308 -0.728) 12.416 13.443 ( -3.693 0.655 -1.826) 4.172 13.531 ( -2.971 1.431 2.256) 3.995 13.916 ( 6.169 0.583 1.931) 6.491 13.987 ( -1.837 4.400 -0.742) 4.825 14.569 ( -7.712 6.086 7.466) 12.340 14.901 ( -2.570 3.766 -0.746) 4.620 17.052 ( -0.664 -4.724 2.063) 5.197 17.379 ( -9.094 1.521 -0.897) 9.264 17.573 ( 2.751 -0.420 -6.605) 7.168 18.035 ( -0.520 -0.191 3.337) 3.383 18.167 ( -0.095 -0.242 1.354) 1.378 18.347 ( -4.777 -3.226 0.904) 5.835 18.619 ( 11.556 3.321 -0.676) 12.042 18.780 ( 11.799 -3.317 0.575) 12.270 19.143 ( 4.705 -4.238 0.985) 6.408 19.322 ( -5.747 0.952 0.046) 5.826 19.515 ( -9.442 5.766 -1.032) 11.111 19.755 ( -9.084 -7.693 0.158) 11.905 20.457 ( 9.296 2.139 -5.800) 11.164 20.461 ( -2.559 20.140 0.681) 20.314 20.571 ( -3.227 7.184 -0.761) 7.912 21.312 ( 8.829 0.152 11.538) 14.530 21.542 ( 1.184 -12.933 0.823) 13.013 21.695 ( 6.459 -14.228 -5.356) 16.518 22.451 ( -4.988 2.259 -4.570) 7.132 22.501 ( -0.330 0.887 -1.317) 1.622 22.549 ( 1.193 -1.228 0.699) 1.849 23.547 ( 2.330 0.401 -1.101) 2.608 23.664 ( 4.250 1.122 -1.145) 4.543 24.355 ( -4.959 1.435 2.618) 5.788 ======================= Grid point 89 (39/78) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.323 -3.927 0.258) 4.152 1.162 ( -1.381 -9.680 -0.656) 9.800 1.559 ( 0.658 -0.449 -0.642) 1.023 1.608 ( -0.769 1.266 4.623) 4.854 1.866 ( -3.249 -5.352 -0.358) 6.272 1.933 ( -2.592 -1.138 4.084) 4.969 1.957 ( -0.544 -1.452 -3.693) 4.005 2.096 ( 3.612 3.974 -4.240) 6.842 2.224 ( -0.367 -2.808 -2.146) 3.553 2.257 ( 0.677 1.311 -2.129) 2.590 2.389 ( 4.722 -1.787 4.318) 6.644 2.450 ( 10.530 11.055 -5.180) 16.122 2.534 ( -4.838 -7.892 0.905) 9.301 2.637 ( 10.773 5.099 -2.368) 12.151 2.722 ( -0.417 -5.856 -0.982) 5.952 2.772 ( 1.398 -1.512 -1.834) 2.757 2.889 ( -2.897 -2.294 3.263) 4.930 3.034 ( 0.892 -1.680 -2.555) 3.185 3.190 ( -0.136 -4.245 2.482) 4.919 3.353 ( -4.424 -4.794 10.588) 12.436 3.621 ( 6.137 0.082 -7.631) 9.793 3.749 ( 7.181 -4.148 0.435) 8.305 3.857 ( -2.704 -2.219 -4.213) 5.475 3.983 ( -3.081 0.042 -2.458) 3.942 4.110 ( -6.009 9.159 5.898) 12.441 4.214 ( 4.286 -5.840 0.766) 7.285 4.318 ( 3.661 1.116 -1.423) 4.083 4.410 ( -0.940 1.096 4.251) 4.489 4.533 ( 1.361 1.665 -0.425) 2.192 4.589 ( 10.214 -5.120 1.266) 11.496 4.859 ( 3.602 -1.821 -2.650) 4.828 4.931 ( -5.242 -8.434 -3.214) 10.437 5.161 ( -3.300 2.798 4.143) 5.990 5.223 ( -4.222 5.181 1.647) 6.884 5.410 ( -3.709 1.469 4.479) 5.998 5.517 ( -2.117 8.460 -1.357) 8.826 5.852 ( -1.259 4.345 0.106) 4.525 5.997 ( 6.744 2.460 0.035) 7.179 6.092 ( 4.520 -4.229 1.138) 6.294 6.321 ( -1.230 -6.119 1.528) 6.425 6.409 ( -1.815 4.520 1.289) 5.038 6.707 ( 1.819 6.543 -2.437) 7.216 6.729 ( 3.633 2.236 -0.506) 4.296 6.864 ( -7.325 -4.055 -2.752) 8.813 7.005 ( -0.522 -4.796 1.357) 5.012 7.412 ( 8.508 -0.883 0.566) 8.572 7.490 ( -3.996 -7.212 -4.076) 9.197 7.578 ( 1.338 -3.590 1.202) 4.015 7.686 ( 2.465 -5.474 1.014) 6.088 7.954 ( -0.816 -10.375 -3.224) 10.895 8.146 ( 2.118 9.255 2.298) 9.769 8.280 ( -0.150 6.024 0.608) 6.057 8.375 ( 5.333 0.088 0.561) 5.364 8.583 ( -4.678 -0.420 -2.816) 5.477 8.655 ( -7.720 0.979 0.130) 7.783 8.888 ( -1.394 9.626 -0.313) 9.731 8.963 ( 5.676 -1.477 2.932) 6.557 9.250 ( 1.128 -2.862 0.402) 3.103 9.480 ( -2.980 -0.995 -1.193) 3.361 9.673 ( -4.312 0.081 0.375) 4.329 9.801 ( 2.761 0.149 0.583) 2.826 10.270 ( 3.836 6.177 1.707) 7.469 10.298 ( 3.476 6.737 -2.170) 7.885 10.847 ( 2.140 6.817 2.550) 7.586 11.020 ( 6.569 -5.562 0.794) 8.644 11.288 ( -2.829 -0.513 -2.594) 3.873 11.415 ( -1.067 4.792 1.813) 5.233 11.668 ( 3.188 1.728 0.536) 3.666 11.846 ( 6.599 8.930 -1.874) 11.261 11.893 ( 0.971 -4.376 -0.368) 4.497 12.287 ( -0.923 -3.365 0.410) 3.514 12.438 ( -5.289 1.371 -3.165) 6.314 12.486 ( 0.155 -3.619 0.643) 3.679 12.609 ( -0.749 -1.641 -1.462) 2.322 12.874 ( -7.477 6.840 -0.780) 10.164 13.058 ( -3.149 -5.623 1.370) 6.589 13.115 ( 0.240 -6.873 -4.363) 8.145 13.283 ( -5.911 -5.195 1.058) 7.940 13.394 ( -2.965 0.187 -1.536) 3.345 13.504 ( -1.566 -2.881 0.530) 3.322 13.822 ( 0.286 8.748 -0.707) 8.781 14.029 ( 4.991 -1.950 3.031) 6.156 14.391 ( -8.016 6.201 4.221) 10.978 14.805 ( -1.982 3.914 -0.871) 4.473 17.122 ( -1.267 -3.780 -1.541) 4.274 17.291 ( -3.598 1.671 -0.501) 3.999 17.612 ( 0.928 -4.510 1.705) 4.910 18.015 ( 0.963 2.698 3.005) 4.151 18.281 ( 2.634 -6.825 1.450) 7.458 18.338 ( -4.052 -2.955 -2.151) 5.456 18.679 ( 9.092 2.527 0.404) 9.445 18.899 ( 8.636 2.663 -3.899) 9.843 19.269 ( -5.293 -1.642 1.030) 5.636 19.296 ( 2.146 -5.374 0.912) 5.858 19.373 ( 1.717 0.657 -1.127) 2.156 19.802 ( -10.094 -8.484 0.900) 13.217 20.076 ( -3.781 19.327 0.322) 19.696 20.325 ( -5.251 9.928 -0.290) 11.235 20.520 ( 6.530 3.532 -2.423) 7.809 21.314 ( 0.213 4.474 -0.030) 4.479 21.798 ( 2.350 -12.745 1.745) 13.077 21.996 ( 4.691 -13.155 -1.105) 14.010 22.378 ( -0.961 0.930 -1.615) 2.097 22.464 ( -0.272 3.288 0.539) 3.343 22.574 ( -1.366 -0.941 1.991) 2.592 23.550 ( 1.321 1.010 -0.999) 1.940 23.668 ( 2.378 1.866 -1.128) 3.226 24.303 ( -2.684 0.852 1.794) 3.339 ======================= Grid point 90 (40/78) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -1.144 -4.920 0.837) 5.120 1.311 ( 0.450 -8.303 -1.541) 8.457 1.562 ( 1.828 0.343 -0.850) 2.045 1.627 ( -0.937 -3.195 -4.561) 5.647 1.854 ( 0.154 5.131 -3.475) 6.199 1.931 ( -1.458 -3.129 3.661) 5.032 1.996 ( 5.742 3.320 -4.182) 7.841 2.078 ( 6.428 -2.312 -3.049) 7.481 2.232 ( -0.063 1.029 -2.320) 2.539 2.286 ( -1.300 -3.471 1.933) 4.180 2.338 ( 12.886 10.356 -2.005) 16.653 2.421 ( 15.057 7.001 0.288) 16.607 2.526 ( 4.085 6.780 -1.926) 8.146 2.615 ( -9.258 -3.317 3.061) 10.299 2.745 ( 2.050 1.235 0.486) 2.442 2.830 ( 0.528 1.939 -4.235) 4.688 2.966 ( -3.886 -8.325 -2.878) 9.628 3.165 ( -2.914 -11.059 5.099) 12.522 3.294 ( -12.326 -3.508 6.537) 14.386 3.388 ( -9.661 -4.481 4.291) 11.482 3.628 ( 5.109 3.412 -4.586) 7.666 3.744 ( -0.675 -0.325 2.669) 2.772 3.876 ( -4.225 1.684 -4.011) 6.064 3.923 ( 5.397 -0.700 -2.146) 5.850 4.009 ( -1.019 -0.420 0.355) 1.158 4.209 ( -5.657 2.851 1.493) 6.509 4.309 ( -0.601 1.925 7.989) 8.239 4.420 ( 1.304 0.274 -2.880) 3.173 4.589 ( 1.970 -4.448 1.820) 5.194 4.684 ( 4.489 4.744 0.942) 6.599 4.928 ( 3.161 -2.626 -2.127) 4.627 5.066 ( -1.938 -7.100 0.490) 7.376 5.096 ( -1.403 6.549 1.301) 6.823 5.143 ( 3.596 -2.614 -0.190) 4.449 5.357 ( -3.052 2.069 0.478) 3.718 5.381 ( -0.639 4.432 -0.836) 4.555 5.797 ( -1.978 -0.582 0.217) 2.073 6.006 ( 4.978 4.839 4.422) 8.231 6.161 ( -0.513 -0.261 1.379) 1.494 6.371 ( 0.873 -2.399 -2.934) 3.889 6.431 ( 2.495 -4.586 0.924) 5.302 6.528 ( 3.857 15.617 -1.315) 16.140 6.677 ( 0.638 6.437 -0.213) 6.472 6.833 ( -11.355 -4.686 -0.569) 12.297 7.135 ( 0.647 -9.326 0.325) 9.354 7.349 ( 3.188 7.755 -3.225) 8.984 7.667 ( 0.981 -8.230 -3.047) 8.830 7.713 ( 0.981 -9.867 -1.765) 10.072 7.790 ( 4.387 -0.322 1.936) 4.806 7.959 ( 2.617 7.068 0.089) 7.538 8.135 ( -4.037 0.225 -0.168) 4.047 8.212 ( 3.394 3.064 2.185) 5.068 8.398 ( -6.673 -4.266 4.829) 9.277 8.501 ( -1.708 -4.474 -5.238) 7.097 8.609 ( -1.071 14.246 0.662) 14.302 8.707 ( -1.995 -5.659 0.555) 6.026 9.084 ( 2.862 -3.732 4.681) 6.636 9.267 ( -2.629 1.310 2.801) 4.058 9.455 ( 3.062 -0.068 -3.261) 4.474 9.577 ( -4.575 4.861 -1.472) 6.835 9.959 ( 2.724 -8.157 0.330) 8.606 10.156 ( -0.084 5.341 -2.700) 5.985 10.291 ( 2.955 -0.382 3.587) 4.663 10.654 ( 0.956 16.619 0.287) 16.648 11.109 ( -0.147 -0.362 0.325) 0.508 11.293 ( -0.880 -1.922 -1.287) 2.475 11.347 ( 0.325 2.190 1.840) 2.878 11.581 ( 0.317 8.639 1.187) 8.726 11.753 ( 3.385 8.172 -3.096) 9.372 12.023 ( -0.910 -11.290 0.429) 11.335 12.223 ( -5.864 1.317 -1.286) 6.146 12.494 ( 3.306 -4.633 -2.184) 6.097 12.546 ( 0.607 -3.442 -2.654) 4.389 12.571 ( 0.649 8.761 -1.681) 8.944 12.763 ( -0.860 -2.580 1.355) 3.039 13.125 ( -0.020 -2.941 0.500) 2.983 13.193 ( 0.232 -1.993 0.224) 2.019 13.318 ( -1.859 -5.036 -2.356) 5.863 13.367 ( -0.774 -0.021 -0.472) 0.907 13.641 ( -0.251 -11.307 -1.312) 11.386 13.708 ( 0.721 3.595 0.752) 3.743 14.103 ( 0.848 -0.705 7.742) 7.820 14.272 ( -2.484 0.949 -0.955) 2.825 14.726 ( -1.814 2.809 -1.481) 3.657 17.161 ( -0.101 -3.163 -2.768) 4.204 17.236 ( -1.046 0.954 -3.333) 3.621 17.750 ( 0.448 -7.037 6.559) 9.630 17.976 ( 0.197 4.346 9.255) 10.227 18.314 ( -2.539 -1.966 -5.794) 6.624 18.451 ( 2.061 -5.573 0.931) 6.015 18.672 ( 1.433 4.111 -0.496) 4.382 18.832 ( 4.072 9.256 -7.397) 12.529 19.260 ( -1.792 -4.287 -0.461) 4.669 19.404 ( 6.634 5.129 -0.237) 8.389 19.448 ( 2.799 -3.848 0.643) 4.802 19.817 ( -5.882 -6.837 0.285) 9.023 19.891 ( -2.942 -3.507 2.079) 5.028 20.098 ( -5.683 9.624 -0.215) 11.178 20.508 ( 5.082 4.318 2.547) 7.139 21.206 ( -5.324 3.141 -7.042) 9.371 22.017 ( 3.849 -8.728 -0.386) 9.547 22.185 ( 1.737 -4.640 -2.593) 5.592 22.380 ( 3.950 4.865 3.593) 7.223 22.411 ( 0.010 -1.546 2.262) 2.740 22.558 ( -4.585 0.119 2.679) 5.312 23.533 ( 0.390 1.588 -0.646) 1.759 23.640 ( 0.161 2.409 -1.559) 2.874 24.284 ( -1.121 -0.269 1.420) 1.829 ======================= Grid point 91 (41/78) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.107 -3.513 -0.117) 3.517 1.430 ( 0.112 -5.045 -2.165) 5.491 1.586 ( 3.849 1.275 3.499) 5.356 1.640 ( -2.036 -3.623 -11.071) 11.825 1.783 ( -1.654 1.711 -2.431) 3.402 1.915 ( 0.222 3.531 -0.960) 3.666 2.050 ( 8.052 -1.126 3.883) 9.010 2.167 ( 6.759 1.194 -4.436) 8.172 2.203 ( -0.249 1.334 -0.841) 1.597 2.267 ( -6.390 2.264 4.366) 8.064 2.367 ( 3.126 -0.928 -2.389) 4.042 2.452 ( 4.090 2.813 1.194) 5.106 2.469 ( 4.285 5.841 1.300) 7.360 2.570 ( -1.970 -3.669 -2.102) 4.665 2.705 ( 0.753 5.344 -2.447) 5.926 2.830 ( 5.158 2.576 3.487) 6.738 2.966 ( -16.159 5.721 -1.064) 17.175 3.070 ( -3.687 -7.155 -7.660) 11.112 3.196 ( -4.913 10.206 1.924) 11.489 3.430 ( -1.973 -6.616 12.821) 14.562 3.637 ( 7.096 1.895 2.390) 7.724 3.826 ( 1.721 -4.203 1.214) 4.701 3.883 ( 4.489 0.520 -1.901) 4.903 3.926 ( -5.161 1.846 -3.275) 6.385 4.059 ( 2.565 -3.550 -3.380) 5.532 4.143 ( -1.476 -0.065 1.380) 2.022 4.314 ( 0.583 4.367 2.547) 5.089 4.358 ( -2.716 -0.156 2.308) 3.567 4.491 ( -0.737 11.968 -1.362) 12.068 4.742 ( -0.523 -3.185 -0.148) 3.231 4.851 ( -0.666 8.598 1.855) 8.821 5.074 ( -3.771 -2.475 4.057) 6.067 5.099 ( 3.129 0.229 -0.623) 3.199 5.264 ( -1.199 -3.395 -1.148) 3.779 5.325 ( 0.569 -2.591 -1.774) 3.191 5.370 ( 2.863 -4.109 -1.234) 5.157 5.840 ( 0.073 -5.614 -0.689) 5.657 5.967 ( -0.734 2.766 5.635) 6.320 6.176 ( 1.602 0.605 0.108) 1.715 6.243 ( 0.398 16.158 0.099) 16.163 6.380 ( -2.616 0.525 -4.707) 5.411 6.541 ( 0.451 -3.735 2.218) 4.367 6.555 ( 0.233 6.817 -0.283) 6.827 6.848 ( 0.504 -5.287 -0.081) 5.311 7.229 ( -0.671 4.943 -0.735) 5.042 7.337 ( 1.736 -9.880 -1.179) 10.101 7.668 ( -1.347 8.769 -0.809) 8.909 7.775 ( -3.577 0.044 -3.961) 5.338 7.872 ( 7.372 -3.009 -0.385) 7.971 7.906 ( -0.545 0.099 1.326) 1.437 8.085 ( -0.557 1.662 -3.002) 3.477 8.126 ( 1.849 6.155 3.991) 7.565 8.283 ( -6.423 11.174 0.209) 12.890 8.498 ( -1.589 -4.518 2.015) 5.196 8.727 ( 4.843 -11.854 2.235) 12.999 8.794 ( -0.614 -3.833 1.788) 4.274 9.194 ( 0.400 -6.036 2.564) 6.570 9.239 ( 1.137 0.993 1.958) 2.472 9.413 ( -2.367 5.418 -2.255) 6.328 9.496 ( -0.619 -0.491 -0.179) 0.810 10.022 ( 1.402 2.796 -0.472) 3.164 10.067 ( -2.468 4.672 1.294) 5.440 10.345 ( 2.109 9.376 -2.378) 9.900 10.449 ( -1.063 -6.153 1.495) 6.421 11.078 ( 0.140 2.870 0.496) 2.916 11.258 ( 0.238 2.969 -1.510) 3.340 11.384 ( -0.767 -3.111 1.401) 3.497 11.429 ( 0.192 9.118 1.674) 9.273 11.655 ( 1.022 2.716 -4.039) 4.974 12.172 ( -0.068 -0.807 -1.462) 1.671 12.262 ( -0.701 -12.847 -0.054) 12.867 12.335 ( 0.755 11.800 -1.394) 11.906 12.556 ( 0.203 0.898 -0.113) 0.928 12.671 ( 1.944 -8.958 -4.696) 10.299 12.843 ( -1.209 -5.557 1.620) 5.913 13.166 ( -0.163 -2.063 -0.653) 2.169 13.233 ( 1.111 -1.969 1.573) 2.755 13.343 ( -0.439 -1.431 -2.892) 3.257 13.428 ( 0.955 -5.956 -2.877) 6.683 13.682 ( 1.046 -0.571 1.504) 1.919 13.831 ( 0.134 -6.299 5.878) 8.617 14.131 ( -9.813 -6.531 0.235) 11.790 14.318 ( 9.073 -2.805 0.076) 9.497 14.652 ( -2.059 3.201 -1.987) 4.294 17.199 ( 0.398 -0.997 -3.629) 3.784 17.253 ( 1.904 -5.108 -4.459) 7.043 17.801 ( -0.943 4.515 11.325) 12.228 17.989 ( -4.447 -4.133 8.901) 10.774 18.299 ( -1.635 -1.816 -5.648) 6.154 18.492 ( 5.166 3.898 -4.711) 8.005 18.618 ( 0.202 4.984 -1.820) 5.310 18.660 ( 0.381 7.862 -3.961) 8.812 19.181 ( 0.452 13.116 -0.163) 13.125 19.372 ( 0.598 -7.576 -0.721) 7.633 19.663 ( -0.262 -11.923 0.056) 11.926 19.882 ( -0.260 8.233 -0.002) 8.237 19.948 ( 0.795 -3.381 0.833) 3.572 20.036 ( -0.488 -14.683 0.439) 14.698 20.506 ( 3.804 2.704 7.278) 8.646 21.073 ( -8.367 0.872 -9.384) 12.602 22.119 ( -1.874 2.916 -3.443) 4.886 22.185 ( 5.840 1.934 -5.725) 8.403 22.356 ( -0.731 0.471 6.814) 6.869 22.455 ( -1.952 0.257 3.901) 4.370 22.554 ( 3.426 -1.760 2.769) 4.743 23.503 ( 0.065 1.864 -0.002) 1.866 23.584 ( -1.238 2.538 -1.909) 3.409 24.297 ( -0.562 -1.555 1.806) 2.449 ======================= Grid point 92 (42/78) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -0.182 2.605 -0.932) 2.772 1.435 ( -2.917 2.799 0.074) 4.043 1.564 ( 3.028 6.043 3.960) 7.834 1.685 ( 0.448 0.898 0.269) 1.039 1.715 ( -4.864 -1.135 -3.642) 6.181 1.818 ( -4.977 6.688 2.219) 8.627 1.984 ( -11.230 9.889 -0.535) 14.974 2.107 ( -9.907 2.105 2.557) 10.446 2.164 ( -1.702 1.832 -0.634) 2.580 2.230 ( 4.146 -7.316 -4.243) 9.418 2.359 ( -2.489 5.169 -1.530) 5.938 2.444 ( 0.133 -5.975 -0.735) 6.021 2.460 ( 0.498 1.968 2.171) 2.972 2.635 ( 8.168 3.169 -2.108) 9.011 2.663 ( 3.228 0.879 -0.774) 3.434 2.739 ( 2.757 -3.897 -1.484) 5.000 2.965 ( 13.112 5.166 2.412) 14.298 3.082 ( 6.692 3.932 0.039) 7.762 3.167 ( 3.471 -2.691 -5.575) 7.097 3.471 ( -3.330 7.720 7.171) 11.050 3.611 ( 7.431 6.913 0.481) 10.161 3.728 ( -11.255 8.782 4.057) 14.841 3.850 ( -2.593 8.285 0.721) 8.711 3.906 ( 2.519 0.129 2.360) 3.454 4.039 ( 3.043 0.791 -2.732) 4.165 4.179 ( 5.353 1.407 -6.606) 8.618 4.198 ( -4.538 -0.702 -2.091) 5.046 4.336 ( 1.099 3.565 0.401) 3.752 4.467 ( -4.736 -2.697 3.113) 6.276 4.584 ( 1.921 5.586 3.541) 6.887 4.848 ( -6.409 -0.821 -0.025) 6.462 5.072 ( -0.168 -3.871 1.523) 4.164 5.188 ( 6.764 -1.035 0.158) 6.844 5.225 ( -5.616 -3.268 -0.916) 6.562 5.464 ( 3.794 -5.375 0.961) 6.649 5.497 ( -1.932 -10.012 -0.399) 10.205 5.936 ( -0.752 8.525 0.500) 8.573 5.945 ( -0.985 1.760 2.471) 3.190 6.007 ( 2.000 -8.484 -0.934) 8.766 6.236 ( 3.626 -0.072 0.137) 3.629 6.307 ( -5.585 0.376 -3.426) 6.563 6.461 ( 2.863 4.526 -0.858) 5.424 6.596 ( -4.036 -4.337 2.435) 6.406 6.991 ( 7.161 -2.341 -0.164) 7.536 7.122 ( -0.452 3.852 3.030) 4.921 7.404 ( 1.174 11.785 -4.976) 12.846 7.520 ( 1.415 2.112 0.506) 2.592 7.710 ( -2.913 -0.150 -1.747) 3.400 7.785 ( -5.035 10.238 -2.616) 11.705 7.993 ( -3.359 -5.009 1.367) 6.184 8.008 ( 5.872 2.589 0.812) 6.468 8.124 ( 5.026 2.952 4.194) 7.181 8.200 ( -0.005 -2.924 -0.840) 3.042 8.521 ( 1.156 1.128 -0.228) 1.631 8.746 ( -0.879 5.029 4.226) 6.627 8.972 ( 1.612 -7.717 -1.561) 8.037 9.186 ( -6.668 4.113 -1.396) 7.958 9.317 ( 2.832 -7.077 5.047) 9.142 9.414 ( -0.515 -5.172 -1.272) 5.351 9.499 ( 2.979 -0.509 2.894) 4.184 9.825 ( -0.580 13.370 2.072) 13.542 10.074 ( -2.034 -3.599 -1.402) 4.365 10.217 ( 1.989 4.630 -4.135) 6.518 10.604 ( -0.971 -8.375 0.941) 8.484 11.019 ( 0.486 5.624 0.297) 5.653 11.222 ( 6.528 3.998 -2.432) 8.032 11.314 ( -2.075 1.455 3.140) 4.035 11.445 ( -1.109 -3.719 1.596) 4.196 11.644 ( 1.784 -0.498 -4.702) 5.054 12.114 ( -1.259 9.043 0.037) 9.130 12.190 ( 1.385 -0.870 -0.984) 1.909 12.505 ( 0.497 4.946 1.150) 5.102 12.516 ( 0.893 -10.688 -1.235) 10.796 12.835 ( 1.148 -9.983 -5.283) 11.353 12.939 ( -3.957 -8.651 -0.106) 9.514 13.162 ( -0.657 1.433 -1.273) 2.026 13.289 ( 0.547 -2.894 -0.262) 2.957 13.381 ( -2.043 -4.545 -2.115) 5.413 13.523 ( 1.207 -4.681 -3.186) 5.790 13.725 ( -0.869 -2.818 2.858) 4.107 13.885 ( -4.548 -0.074 7.689) 8.934 14.126 ( -7.009 -3.926 -5.725) 9.865 14.502 ( -0.328 -6.333 -2.395) 6.779 14.590 ( 4.827 -0.751 2.622) 5.544 17.198 ( 0.655 1.067 -1.914) 2.287 17.377 ( 3.635 -7.038 -5.833) 9.837 17.748 ( -5.614 0.363 13.070) 14.230 18.000 ( -6.683 -2.489 0.420) 7.144 18.307 ( 1.497 2.390 -2.968) 4.095 18.430 ( 2.535 11.113 -2.818) 11.742 18.460 ( 4.584 2.975 -3.787) 6.649 18.595 ( 2.116 3.575 -1.143) 4.309 19.050 ( 0.434 3.271 0.693) 3.372 19.500 ( -0.099 -7.015 -1.222) 7.121 19.626 ( -11.492 3.496 0.343) 12.017 19.922 ( 7.985 -0.471 0.865) 8.045 20.045 ( 5.087 -6.166 -0.938) 8.048 20.276 ( -1.073 -11.884 0.097) 11.933 20.537 ( 0.630 -0.715 6.627) 6.695 20.967 ( -7.127 -1.232 -5.722) 9.223 21.946 ( -1.523 11.315 -1.531) 11.519 22.100 ( 1.933 11.615 -7.168) 13.785 22.370 ( -3.158 -2.826 2.815) 5.088 22.484 ( 3.474 0.004 4.686) 5.833 22.643 ( 3.951 -3.160 -0.223) 5.065 23.478 ( 0.891 1.568 1.151) 2.140 23.527 ( -0.699 1.951 -1.560) 2.594 24.338 ( -1.106 -3.218 3.021) 4.550 ======================= Grid point 96 (43/78) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 1.717 -0.000 -0.195) 1.728 0.980 ( -1.472 0.000 -0.110) 1.476 1.527 ( 0.929 -0.000 -0.418) 1.018 1.537 ( -5.741 0.000 3.206) 6.575 1.756 ( -3.497 0.000 4.917) 6.033 1.757 ( -7.606 0.000 -1.009) 7.672 1.812 ( -3.472 0.000 10.522) 11.080 1.997 ( 3.137 -0.000 -0.268) 3.148 2.061 ( -4.630 0.000 -3.566) 5.844 2.124 ( 2.582 -0.000 -1.378) 2.927 2.264 ( 0.124 -0.000 -1.059) 1.066 2.325 ( -3.247 0.000 1.344) 3.514 2.655 ( -0.734 0.000 0.899) 1.161 2.747 ( -3.910 0.000 3.308) 5.122 2.823 ( -3.177 0.000 4.398) 5.425 2.844 ( 1.744 -0.000 3.556) 3.960 2.995 ( -0.599 0.000 4.721) 4.759 3.150 ( 9.886 -0.000 -18.471) 20.951 3.316 ( -2.053 0.000 0.535) 2.122 3.483 ( 19.178 -0.000 0.226) 19.179 3.548 ( 17.782 -0.000 -6.439) 18.912 3.602 ( 21.492 -0.000 5.883) 22.283 3.777 ( -1.392 0.000 -2.796) 3.123 3.907 ( -2.974 0.000 -1.610) 3.381 3.916 ( 10.849 -0.000 -6.529) 12.662 4.296 ( -4.264 0.000 1.063) 4.395 4.372 ( 4.711 -0.000 -3.152) 5.668 4.397 ( -2.790 0.000 -0.569) 2.847 4.547 ( -10.172 0.000 5.684) 11.652 4.606 ( 4.613 -0.000 -0.085) 4.614 4.676 ( -0.042 0.000 0.241) 0.245 4.899 ( -1.610 0.000 -3.025) 3.427 5.216 ( -6.989 0.000 1.749) 7.204 5.246 ( -9.505 0.000 3.798) 10.236 5.494 ( -2.643 0.000 10.318) 10.651 5.707 ( -4.353 0.000 -2.873) 5.216 5.920 ( 4.873 -0.000 -3.015) 5.730 6.026 ( 4.409 -0.000 1.116) 4.548 6.102 ( 0.430 -0.000 5.315) 5.333 6.173 ( -4.893 0.000 0.751) 4.950 6.541 ( 0.870 -0.000 1.317) 1.579 6.561 ( 9.854 -0.000 -0.139) 9.855 6.711 ( -1.294 0.000 -0.246) 1.317 6.868 ( -6.808 0.000 -1.566) 6.985 7.005 ( -1.787 0.000 -2.128) 2.779 7.318 ( -1.612 0.000 1.155) 1.983 7.381 ( -1.372 0.000 3.064) 3.357 7.391 ( -2.293 0.000 -1.942) 3.005 7.649 ( 5.644 -0.000 -4.566) 7.260 7.805 ( -2.029 0.000 -0.496) 2.088 8.305 ( 4.130 -0.000 1.032) 4.256 8.462 ( -1.845 0.000 -1.146) 2.172 8.470 ( 7.735 -0.000 -0.736) 7.770 8.525 ( -3.796 0.000 0.974) 3.919 8.629 ( 14.041 -0.000 -0.142) 14.042 8.977 ( 6.539 -0.000 0.042) 6.539 9.078 ( -9.573 0.000 0.026) 9.573 9.205 ( 3.121 -0.000 -0.839) 3.232 9.349 ( -6.604 0.000 -0.571) 6.629 9.655 ( -5.396 0.000 -1.394) 5.573 10.000 ( -2.156 0.000 3.147) 3.815 10.401 ( 7.441 -0.000 0.505) 7.458 10.514 ( -0.488 0.000 -0.908) 1.031 10.751 ( 8.308 -0.000 -1.512) 8.445 10.982 ( 7.966 -0.000 6.816) 10.484 11.279 ( -3.201 0.000 -7.440) 8.099 11.518 ( -3.592 0.000 3.115) 4.754 11.670 ( 12.216 -0.000 0.437) 12.224 11.793 ( -2.271 0.000 -0.751) 2.392 12.154 ( 13.097 -0.000 -5.081) 14.048 12.166 ( 0.681 -0.000 3.134) 3.207 12.337 ( 1.082 -0.000 -3.204) 3.382 12.444 ( 1.929 -0.000 0.141) 1.935 12.665 ( -5.065 0.000 -2.097) 5.482 12.809 ( -4.270 0.000 4.151) 5.955 12.949 ( -15.890 0.000 -2.154) 16.035 13.049 ( -15.975 0.000 -1.861) 16.083 13.100 ( -1.803 0.000 1.015) 2.070 13.408 ( -3.871 0.000 -0.950) 3.986 13.528 ( -1.904 0.000 1.554) 2.458 13.975 ( 5.514 -0.000 2.392) 6.011 14.043 ( 1.931 -0.000 -1.238) 2.294 14.547 ( -11.153 0.000 5.371) 12.378 14.914 ( -1.358 0.000 -0.897) 1.628 17.012 ( -0.575 0.000 2.846) 2.903 17.321 ( -5.162 0.000 3.274) 6.113 17.577 ( 3.822 -0.000 -9.981) 10.688 18.050 ( 1.393 -0.000 4.476) 4.688 18.107 ( -7.214 0.000 -5.310) 8.958 18.304 ( -0.769 0.000 3.452) 3.536 18.787 ( 12.612 -0.000 -0.540) 12.624 18.871 ( 13.417 -0.000 3.511) 13.869 19.136 ( 2.876 -0.000 0.750) 2.972 19.267 ( -7.345 0.000 -0.061) 7.346 19.469 ( -13.548 0.000 1.622) 13.644 19.591 ( -5.148 0.000 -1.206) 5.287 20.564 ( 9.719 -0.000 -4.865) 10.868 20.604 ( -3.410 0.000 -0.236) 3.418 20.658 ( -2.880 0.000 -0.073) 2.880 21.389 ( -2.234 0.000 -4.346) 4.887 21.435 ( 6.751 -0.000 12.197) 13.941 21.594 ( 5.363 -0.000 -4.942) 7.293 22.398 ( -3.908 0.000 -1.643) 4.240 22.517 ( 1.191 -0.000 0.230) 1.213 22.570 ( 2.539 -0.000 0.104) 2.541 23.567 ( 1.668 -0.000 -1.766) 2.429 23.708 ( 3.336 -0.000 -1.756) 3.769 24.325 ( -4.408 0.000 2.233) 4.942 ======================= Grid point 97 (44/78) ======================= q-point: ( 0.50 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.589 -1.930 0.417) 2.060 0.995 ( -1.292 -6.736 -1.109) 6.948 1.555 ( 1.685 -1.440 0.489) 2.269 1.611 ( -1.514 -5.635 6.057) 8.410 1.718 ( -6.221 -4.682 1.693) 7.968 1.820 ( -2.792 -8.176 4.669) 9.820 1.895 ( -1.916 -6.869 0.314) 7.138 2.081 ( 1.424 -6.054 -2.159) 6.584 2.110 ( -3.805 -12.505 -3.429) 13.514 2.165 ( 3.218 -3.567 0.625) 4.845 2.255 ( 0.472 -0.298 -0.920) 1.076 2.301 ( -2.496 -0.430 -1.187) 2.797 2.623 ( 0.152 3.684 1.780) 4.094 2.651 ( -11.259 -0.476 0.398) 11.276 2.808 ( 2.908 2.570 0.739) 3.951 2.847 ( -0.973 0.387 7.181) 7.257 3.041 ( 2.368 -0.856 1.340) 2.852 3.123 ( 14.028 13.566 -10.938) 22.371 3.187 ( -2.337 5.060 0.264) 5.580 3.500 ( 9.676 12.920 0.696) 16.156 3.653 ( -4.269 -3.340 -7.986) 9.652 3.706 ( 10.189 -0.029 0.067) 10.189 3.851 ( 9.127 -1.625 -5.260) 10.659 3.947 ( 1.379 -2.309 2.272) 3.521 4.134 ( 3.820 -2.763 -0.514) 4.742 4.225 ( -4.028 1.687 6.366) 7.719 4.323 ( -0.678 -0.503 -2.498) 2.636 4.437 ( -4.580 3.208 6.021) 8.217 4.510 ( 5.076 -10.049 -3.179) 11.699 4.618 ( 0.839 2.329 1.156) 2.732 4.733 ( -3.014 -6.834 -0.935) 7.528 4.872 ( 1.995 1.100 -4.085) 4.677 5.149 ( -5.374 0.354 2.067) 5.768 5.202 ( -4.819 -1.515 2.776) 5.764 5.466 ( -2.296 4.260 8.919) 10.148 5.620 ( -1.087 5.880 -2.220) 6.379 5.948 ( 2.127 3.535 -0.475) 4.153 6.057 ( 2.106 -0.168 -0.634) 2.206 6.075 ( 2.583 -1.388 1.599) 3.339 6.198 ( -2.986 -5.218 2.514) 6.516 6.529 ( 1.036 9.671 2.964) 10.168 6.608 ( -3.691 -5.065 -0.022) 6.267 6.751 ( 4.191 -2.399 -2.056) 5.248 6.857 ( -2.928 -1.573 -1.345) 3.585 7.002 ( 5.531 -2.356 -2.319) 6.443 7.267 ( -8.073 -2.462 2.581) 8.826 7.410 ( -0.527 -4.156 -2.303) 4.780 7.489 ( -0.005 -9.252 0.861) 9.292 7.716 ( 6.574 -1.506 -2.930) 7.353 7.789 ( -1.289 -1.814 -1.281) 2.567 8.299 ( 1.078 4.987 0.839) 5.171 8.404 ( -0.662 7.322 1.031) 7.424 8.434 ( 1.010 1.190 -1.920) 2.474 8.522 ( 0.563 -0.330 -0.791) 1.025 8.720 ( 1.244 8.436 1.337) 8.631 8.940 ( 2.407 -1.806 0.345) 3.029 9.056 ( 0.304 3.169 0.819) 3.287 9.241 ( 2.974 -0.425 0.681) 3.081 9.353 ( -3.489 -6.977 -1.160) 7.886 9.612 ( -3.765 -1.019 -2.046) 4.404 9.902 ( -1.861 7.433 1.734) 7.856 10.415 ( 1.602 6.458 1.465) 6.813 10.440 ( 2.995 5.206 -1.376) 6.162 10.872 ( 2.954 -4.199 0.824) 5.200 11.073 ( 5.903 -0.114 3.837) 7.041 11.229 ( -2.818 -0.490 -5.289) 6.013 11.473 ( -1.800 2.767 2.779) 4.315 11.758 ( 5.743 1.737 -0.201) 6.003 11.797 ( -0.348 -1.908 -0.624) 2.037 12.138 ( 10.561 10.701 -2.556) 15.250 12.224 ( -1.128 -3.956 3.404) 5.339 12.365 ( -4.573 -0.584 -3.156) 5.587 12.456 ( -0.234 0.363 0.105) 0.445 12.581 ( -0.216 -0.740 -2.034) 2.175 12.842 ( -7.804 -0.205 -0.313) 7.813 12.867 ( -5.816 -9.110 1.561) 10.921 12.969 ( -2.177 -6.911 -3.942) 8.248 13.146 ( -1.570 -5.270 1.159) 5.620 13.366 ( -2.929 0.460 -0.378) 2.988 13.502 ( -0.949 1.442 1.028) 2.009 13.968 ( 0.367 6.491 -1.465) 6.665 14.081 ( 8.418 -0.538 2.647) 8.841 14.406 ( -11.004 4.302 3.780) 12.405 14.861 ( -0.737 4.276 -1.104) 4.477 17.046 ( -0.893 -3.244 1.286) 3.602 17.299 ( -0.806 1.182 4.689) 4.903 17.579 ( 1.850 -0.527 -5.521) 5.846 18.017 ( -1.472 -1.287 -4.162) 4.598 18.167 ( -0.213 -7.683 0.971) 7.747 18.293 ( -2.029 0.846 2.145) 3.072 18.860 ( 11.228 4.885 1.652) 12.355 19.017 ( 10.695 1.394 -0.021) 10.785 19.179 ( -7.414 -1.985 0.660) 7.704 19.212 ( -2.895 -2.210 1.900) 4.108 19.360 ( -2.403 -3.286 -0.576) 4.111 19.593 ( -5.936 -4.941 0.723) 7.757 20.419 ( -1.234 20.200 -0.263) 20.239 20.475 ( -1.579 10.320 -0.411) 10.448 20.631 ( 6.825 1.955 -0.853) 7.151 21.310 ( -8.090 1.247 -10.503) 13.316 21.603 ( 0.869 -11.601 4.351) 12.421 21.800 ( 5.533 -13.731 1.623) 14.892 22.387 ( 1.780 0.186 2.883) 3.393 22.518 ( 0.623 1.387 0.616) 1.641 22.577 ( 0.505 1.152 0.333) 1.301 23.568 ( 0.590 0.439 -2.158) 2.280 23.715 ( 1.672 1.533 -1.718) 2.845 24.292 ( -2.661 0.365 1.848) 3.260 ======================= Grid point 98 (45/78) ======================= q-point: (-0.38 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.169 -3.567 0.515) 3.608 1.143 ( -0.032 -9.946 -1.161) 10.014 1.586 ( 0.829 -0.467 1.037) 1.407 1.631 ( 3.138 4.855 -1.847) 6.069 1.801 ( -4.048 -7.568 5.443) 10.163 1.910 ( -0.110 1.167 -0.293) 1.208 1.994 ( 5.583 -8.247 -1.343) 10.049 2.144 ( 2.760 0.163 -0.489) 2.808 2.205 ( 0.120 -2.072 -3.002) 3.650 2.228 ( -1.652 -0.272 -1.266) 2.099 2.344 ( -4.760 -8.381 5.119) 10.913 2.445 ( 1.750 -11.354 -5.970) 12.947 2.552 ( -4.792 -3.232 0.735) 5.827 2.666 ( -1.477 -5.981 -3.553) 7.112 2.808 ( 3.120 -1.579 0.010) 3.497 2.846 ( -1.956 1.334 0.387) 2.399 2.906 ( 5.843 16.473 -1.419) 17.536 3.038 ( -1.347 2.623 -0.308) 2.964 3.210 ( 0.330 -4.833 0.787) 4.908 3.267 ( -11.802 6.822 3.107) 13.981 3.695 ( 4.705 -2.050 -3.317) 6.110 3.807 ( 9.986 0.585 2.111) 10.224 3.855 ( -6.213 3.050 -3.323) 7.678 3.981 ( 5.736 0.950 -4.029) 7.073 4.029 ( -1.304 4.361 3.034) 5.470 4.235 ( -0.650 1.510 2.416) 2.922 4.367 ( -2.454 3.179 10.159) 10.924 4.391 ( 0.828 -2.911 -2.588) 3.982 4.556 ( -1.329 0.213 2.742) 3.055 4.743 ( 0.298 -6.328 -1.313) 6.470 4.810 ( -0.991 -5.139 -2.705) 5.891 4.919 ( 2.407 -7.058 -4.857) 8.900 5.115 ( -3.812 0.895 3.762) 5.430 5.203 ( 1.818 -0.009 0.766) 1.973 5.377 ( -2.913 4.698 4.535) 7.150 5.489 ( 0.213 7.671 -0.651) 7.701 5.841 ( 0.168 6.394 0.973) 6.469 6.121 ( 1.916 -2.642 1.021) 3.419 6.158 ( -0.013 -1.168 1.670) 2.038 6.305 ( -1.407 -4.027 1.747) 4.609 6.350 ( -2.169 1.606 -0.762) 2.804 6.681 ( 0.804 -5.441 -0.431) 5.517 6.766 ( -0.624 4.953 -0.175) 4.995 6.788 ( 2.445 7.708 -5.807) 9.956 7.059 ( 2.300 -0.710 5.415) 5.926 7.366 ( -3.923 -10.048 -6.481) 12.584 7.496 ( 2.030 -7.233 -0.944) 7.572 7.617 ( 0.510 -4.202 2.420) 4.876 7.750 ( -2.347 -2.358 -0.265) 3.337 7.929 ( 0.927 -12.800 -3.319) 13.256 8.175 ( 0.304 8.089 1.162) 8.177 8.275 ( 0.099 6.305 1.704) 6.532 8.450 ( 5.127 2.763 -2.116) 6.196 8.487 ( -1.785 6.563 -0.638) 6.831 8.577 ( -0.754 -1.888 1.696) 2.647 8.881 ( -2.084 14.390 0.424) 14.546 9.050 ( 0.184 -4.733 3.277) 5.760 9.268 ( -0.985 0.149 2.832) 3.002 9.442 ( 1.528 -4.401 -4.248) 6.304 9.595 ( -1.804 1.079 -0.845) 2.265 9.841 ( 0.603 -3.331 0.189) 3.390 10.266 ( -1.725 8.335 -1.226) 8.599 10.385 ( 1.817 5.519 2.068) 6.167 10.873 ( -0.597 6.933 1.443) 7.107 11.111 ( -1.475 -0.860 0.921) 1.940 11.232 ( 1.908 -1.890 -2.396) 3.599 11.415 ( -0.077 4.005 2.087) 4.517 11.716 ( 0.577 6.125 1.463) 6.324 11.854 ( 0.229 -6.146 -0.167) 6.153 11.974 ( -0.290 12.672 -3.445) 13.135 12.226 ( 1.151 2.511 -0.126) 2.765 12.403 ( 1.718 -6.448 -0.389) 6.684 12.455 ( -0.906 -3.288 -2.353) 4.144 12.652 ( -3.330 -5.353 0.699) 6.343 12.751 ( 1.929 6.681 -1.210) 7.058 13.016 ( -1.321 -10.198 0.352) 10.289 13.123 ( 3.307 -7.541 -3.265) 8.858 13.227 ( -0.782 -4.342 1.231) 4.580 13.344 ( -1.097 -0.714 -1.004) 1.650 13.500 ( 0.854 -3.167 -0.214) 3.287 13.830 ( 1.587 8.453 -0.819) 8.639 14.159 ( 0.319 3.530 3.909) 5.277 14.269 ( -1.568 0.018 3.825) 4.134 14.767 ( -0.669 4.578 -1.952) 5.022 17.098 ( -0.106 -3.426 -0.953) 3.558 17.266 ( 0.903 3.558 -0.564) 3.714 17.645 ( 0.446 -6.310 4.705) 7.884 18.052 ( 1.949 -1.896 -2.147) 3.464 18.218 ( -5.341 -0.249 0.680) 5.390 18.353 ( 1.703 -8.293 0.946) 8.519 18.808 ( 0.453 8.764 1.622) 8.924 18.991 ( 3.537 6.891 -5.515) 9.509 19.172 ( -3.309 -2.772 -0.668) 4.368 19.261 ( 1.366 -8.472 1.087) 8.650 19.543 ( -2.749 -12.444 0.191) 12.746 19.621 ( 3.280 -0.195 2.346) 4.037 20.043 ( -0.429 19.254 0.397) 19.263 20.266 ( 0.032 12.028 -0.114) 12.028 20.645 ( 5.406 3.862 3.519) 7.518 21.140 ( -10.551 2.441 -12.661) 16.661 21.846 ( 0.737 -13.468 1.104) 13.533 22.060 ( 1.002 -10.611 0.493) 10.669 22.432 ( 2.988 0.524 4.307) 5.268 22.491 ( 2.560 2.632 2.407) 4.390 22.549 ( -1.030 1.358 0.643) 1.822 23.551 ( -0.309 0.831 -1.876) 2.075 23.678 ( -0.425 2.715 -1.705) 3.234 24.275 ( -1.062 -0.016 1.506) 1.843 ======================= Grid point 99 (46/78) ======================= q-point: (-0.25 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 1.053 -4.622 0.733) 4.797 1.300 ( -0.488 -8.431 -1.315) 8.547 1.550 ( 0.317 0.621 -9.799) 9.824 1.630 ( 4.405 -0.090 0.861) 4.490 1.791 ( -3.937 3.154 -1.100) 5.163 1.923 ( -4.912 0.712 2.467) 5.543 2.125 ( 1.995 1.761 -0.571) 2.722 2.159 ( 4.216 -4.384 -5.719) 8.349 2.187 ( -6.901 1.731 -0.516) 7.134 2.238 ( 2.097 -0.489 4.225) 4.741 2.450 ( 1.540 -5.161 -2.549) 5.958 2.465 ( -4.911 3.490 -0.917) 6.094 2.551 ( 5.495 5.337 -1.457) 7.798 2.652 ( -0.893 9.615 0.404) 9.664 2.691 ( -22.733 -3.918 -6.588) 23.990 2.774 ( -0.204 2.308 -0.015) 2.317 2.911 ( -2.188 -1.615 -0.607) 2.786 2.979 ( 7.435 -6.464 7.535) 12.403 3.283 ( -0.259 -11.008 6.026) 12.552 3.342 ( 3.995 -2.527 2.017) 5.139 3.729 ( -2.966 1.583 -3.104) 4.576 3.774 ( 7.525 -2.302 -1.408) 7.995 3.900 ( 6.862 0.459 0.421) 6.891 3.955 ( -2.311 2.264 -2.714) 4.223 4.016 ( 4.633 1.649 -0.148) 4.920 4.210 ( 6.218 3.899 1.224) 7.441 4.328 ( -1.883 1.209 9.210) 9.478 4.405 ( -2.725 0.412 -1.138) 2.982 4.589 ( -2.705 -2.261 0.484) 3.558 4.694 ( -4.214 4.069 1.338) 6.009 4.892 ( -3.840 -3.980 -1.255) 5.671 5.018 ( -4.884 -0.674 -1.104) 5.052 5.087 ( 1.299 -4.051 -0.731) 4.316 5.215 ( 1.423 2.544 2.773) 4.023 5.324 ( 0.884 0.907 -0.850) 1.525 5.383 ( 0.972 3.118 -0.513) 3.306 5.797 ( 1.694 -0.419 0.247) 1.762 6.051 ( -4.557 6.157 4.788) 9.033 6.185 ( 0.283 -2.468 2.837) 3.771 6.300 ( -2.530 -0.022 -3.826) 4.587 6.433 ( -1.651 -4.713 -0.138) 4.995 6.540 ( -3.083 14.208 -1.445) 14.610 6.673 ( -0.800 6.382 -0.110) 6.433 6.843 ( 12.092 -5.299 -0.560) 13.214 7.168 ( 2.481 -7.548 1.569) 8.099 7.307 ( -4.734 5.520 -4.774) 8.699 7.653 ( -0.184 -6.484 -2.379) 6.909 7.709 ( -5.839 -1.106 -0.394) 5.956 7.786 ( -0.181 -10.970 0.958) 11.013 7.985 ( 0.493 5.670 -0.631) 5.726 8.158 ( 4.299 1.494 1.668) 4.847 8.239 ( -5.016 1.423 -1.361) 5.389 8.326 ( 4.261 2.337 3.170) 5.802 8.499 ( 0.020 9.563 0.406) 9.572 8.647 ( 1.535 -3.786 -2.237) 4.658 8.684 ( 1.827 -6.689 1.415) 7.077 9.133 ( -1.074 -3.585 4.738) 6.038 9.261 ( 0.016 0.191 2.866) 2.872 9.462 ( -2.276 3.283 -3.410) 5.253 9.533 ( 4.294 3.194 -1.595) 5.584 9.973 ( -2.282 -9.054 0.473) 9.349 10.120 ( -1.020 5.917 -1.901) 6.298 10.324 ( -2.566 0.414 2.612) 3.685 10.654 ( -0.688 16.658 0.297) 16.675 11.113 ( -0.001 -0.694 0.318) 0.764 11.274 ( 0.490 -0.986 -0.792) 1.356 11.345 ( -1.981 2.330 1.314) 3.329 11.622 ( 1.296 8.995 2.139) 9.336 11.740 ( -1.188 7.705 -4.000) 8.762 12.024 ( 0.908 -11.847 0.477) 11.891 12.211 ( 5.377 2.595 -1.396) 6.132 12.511 ( -0.448 -5.221 -2.348) 5.742 12.539 ( 1.700 -3.161 -2.792) 4.547 12.576 ( -0.135 8.365 -1.726) 8.542 12.719 ( -3.666 -2.865 1.718) 4.960 13.132 ( 0.070 -3.730 0.707) 3.797 13.221 ( 1.823 -1.992 -0.025) 2.700 13.297 ( 1.263 -4.531 -1.317) 4.884 13.336 ( -1.007 -0.132 -1.142) 1.529 13.676 ( 3.092 -13.075 -1.459) 13.514 13.745 ( 3.581 4.411 -0.262) 5.687 14.032 ( -8.811 3.779 6.820) 11.765 14.361 ( 7.218 -1.986 1.231) 7.587 14.687 ( -0.611 3.343 -1.877) 3.883 17.164 ( 1.865 -4.051 -2.415) 5.072 17.217 ( 1.334 1.989 -3.366) 4.131 17.790 ( -1.128 -6.838 7.566) 10.261 18.036 ( -1.562 7.012 11.507) 13.566 18.194 ( -3.121 -4.562 -7.748) 9.517 18.504 ( 1.298 -5.969 0.276) 6.115 18.672 ( -0.403 4.864 -1.781) 5.195 18.837 ( 1.056 9.965 -7.307) 12.402 19.257 ( 1.950 -5.799 -0.285) 6.124 19.414 ( -6.468 6.308 -0.637) 9.057 19.442 ( -3.245 -4.387 1.029) 5.553 19.806 ( 4.883 -5.779 0.455) 7.579 19.911 ( 3.379 -4.016 1.884) 5.577 20.098 ( 5.704 9.635 -0.180) 11.198 20.633 ( 2.741 4.270 6.525) 8.266 20.962 ( -9.600 1.318 -10.015) 13.935 22.048 ( -0.090 -8.049 -2.133) 8.327 22.169 ( -2.080 -4.414 -1.391) 5.074 22.390 ( -2.667 4.107 2.856) 5.669 22.487 ( 0.380 1.670 2.994) 3.449 22.597 ( 7.676 -1.442 2.422) 8.177 23.525 ( -0.568 0.988 -0.955) 1.487 23.612 ( -1.632 2.903 -1.400) 3.612 24.279 ( -0.326 -0.613 1.420) 1.581 ======================= Grid point 100 (47/78) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.465 -2.240 0.078) 2.289 1.388 ( -3.017 -3.758 -0.695) 4.870 1.565 ( 1.624 -3.335 -9.707) 10.392 1.618 ( -13.040 4.195 -2.416) 13.910 1.695 ( 3.647 -1.935 1.042) 4.258 1.816 ( -7.524 2.455 -1.022) 7.980 1.968 ( -20.206 7.713 -1.056) 21.654 2.077 ( -2.466 2.186 -2.816) 4.334 2.177 ( -2.359 1.600 0.712) 2.938 2.212 ( 3.877 -0.149 -7.746) 8.664 2.387 ( -1.688 0.938 2.929) 3.509 2.412 ( -2.131 5.359 1.069) 5.865 2.512 ( -2.561 4.037 -0.104) 4.782 2.591 ( 6.121 -5.895 -2.609) 8.890 2.691 ( -0.805 -2.704 0.260) 2.833 2.815 ( 7.680 -2.350 0.575) 8.052 2.962 ( -0.354 -4.175 -3.495) 5.456 3.183 ( 7.553 -4.134 11.608) 14.453 3.347 ( 11.247 4.967 6.459) 13.888 3.551 ( 7.060 -6.422 2.357) 9.830 3.661 ( -5.317 3.775 0.927) 6.586 3.789 ( -3.673 5.636 -6.257) 9.187 3.908 ( 7.070 -1.979 -4.344) 8.531 4.005 ( 2.775 -0.051 4.836) 5.576 4.032 ( 4.363 -0.061 -1.548) 4.630 4.200 ( 1.725 0.806 2.289) 2.977 4.268 ( -5.815 11.309 -1.863) 12.852 4.395 ( 5.698 -2.027 1.616) 6.260 4.448 ( -4.138 6.437 0.903) 7.705 4.681 ( -4.386 0.280 1.012) 4.510 4.809 ( -3.822 3.515 1.038) 5.296 5.026 ( -1.791 -1.878 1.488) 2.992 5.095 ( -4.441 -3.360 1.962) 5.904 5.246 ( -0.161 3.908 -1.037) 4.047 5.305 ( 0.320 -8.613 -1.741) 8.793 5.443 ( 3.667 -3.049 -2.326) 5.306 5.883 ( 3.273 -5.797 0.282) 6.663 5.955 ( -2.045 2.259 2.671) 4.052 6.138 ( -8.338 9.659 -0.315) 12.763 6.225 ( -1.539 0.822 2.578) 3.113 6.332 ( 3.960 5.245 -3.080) 7.259 6.487 ( -3.173 -3.977 0.472) 5.109 6.571 ( 1.384 4.823 -0.307) 5.027 7.052 ( 12.687 -2.581 -0.110) 12.947 7.151 ( -4.803 3.029 -0.512) 5.701 7.372 ( 2.919 -10.265 -2.494) 10.960 7.621 ( -6.334 2.482 1.615) 6.992 7.656 ( -2.471 3.563 -0.808) 4.410 7.902 ( 0.659 4.327 -0.715) 4.435 7.967 ( 2.100 -1.794 -5.149) 5.843 8.079 ( -2.001 4.893 -1.218) 5.425 8.182 ( 4.813 0.629 -0.189) 4.858 8.262 ( 1.750 7.118 7.759) 10.674 8.446 ( -3.563 -6.693 1.616) 7.753 8.775 ( -1.335 -2.167 1.701) 3.062 8.881 ( 6.757 -8.032 -0.809) 10.527 9.152 ( -5.829 0.341 1.267) 5.975 9.291 ( 0.593 -2.444 4.566) 5.213 9.366 ( 1.068 2.088 -2.457) 3.397 9.541 ( 4.417 0.752 -0.879) 4.566 10.008 ( -3.770 2.793 0.938) 4.784 10.031 ( 0.262 2.814 -1.041) 3.012 10.358 ( 0.148 14.756 -1.594) 14.843 10.403 ( -3.145 -11.753 1.480) 12.256 11.128 ( 3.682 2.830 0.529) 4.674 11.264 ( 0.837 -0.363 -1.038) 1.382 11.353 ( -2.979 -3.784 1.702) 5.108 11.430 ( -0.431 9.414 0.363) 9.431 11.683 ( 3.552 2.533 -3.453) 5.564 12.212 ( 4.202 -1.036 -1.412) 4.552 12.264 ( 1.069 -1.047 -0.421) 1.555 12.350 ( 2.237 3.000 -1.082) 3.895 12.568 ( 0.967 0.740 -0.324) 1.260 12.643 ( -2.332 -7.888 -3.799) 9.060 12.746 ( -7.549 -6.564 1.495) 10.115 13.172 ( 0.702 -0.361 -0.126) 0.800 13.253 ( -1.290 -1.638 1.015) 2.319 13.312 ( 0.884 -0.302 -1.693) 1.934 13.423 ( 0.795 -7.224 -3.516) 8.074 13.710 ( -0.742 2.310 1.515) 2.860 13.895 ( 2.242 -3.408 6.219) 7.438 13.936 ( -7.944 -3.898 -0.255) 8.853 14.449 ( 3.385 -1.382 -4.048) 5.455 14.641 ( 1.884 1.296 1.997) 3.036 17.200 ( 1.892 0.219 -3.412) 3.908 17.270 ( 2.550 -6.267 -4.558) 8.158 17.854 ( -1.233 5.480 11.634) 12.919 17.897 ( -8.526 0.924 6.087) 10.517 18.256 ( 0.441 -5.081 -2.616) 5.732 18.555 ( 0.892 0.985 -2.650) 2.965 18.639 ( 4.804 1.468 -4.540) 6.771 18.654 ( 1.979 10.397 -3.950) 11.297 19.163 ( -1.811 8.865 -0.399) 9.057 19.377 ( 0.295 -6.188 -0.878) 6.257 19.511 ( -8.102 -3.587 0.017) 8.861 19.879 ( -3.341 -4.281 1.541) 5.645 20.092 ( 11.782 0.249 -1.301) 11.856 20.110 ( 4.825 -7.762 0.594) 9.159 20.580 ( -3.995 2.997 1.543) 5.227 20.877 ( -2.197 -0.955 1.418) 2.784 22.041 ( -2.498 3.560 -3.163) 5.377 22.247 ( 3.673 0.202 -6.262) 7.263 22.273 ( -6.985 0.869 4.659) 8.441 22.514 ( 1.798 -1.517 5.093) 5.610 22.671 ( 4.557 1.094 -1.813) 5.025 23.506 ( 0.060 0.634 0.237) 0.680 23.553 ( -0.434 2.006 -0.293) 2.074 24.298 ( -0.554 -1.415 1.754) 2.321 ======================= Grid point 105 (48/78) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.641 0.000 -1.022) 1.934 0.964 ( 1.190 -0.000 0.725) 1.394 1.497 ( 1.162 -0.000 5.052) 5.184 1.557 ( 1.585 -0.000 1.784) 2.386 1.618 ( -6.878 0.000 2.263) 7.241 1.725 ( -1.988 0.000 4.696) 5.100 1.801 ( 1.253 -0.000 1.395) 1.875 1.995 ( 0.645 -0.000 -4.271) 4.320 2.077 ( 4.428 -0.000 -1.846) 4.797 2.181 ( 3.338 -0.000 -3.603) 4.911 2.247 ( -1.133 0.000 -1.848) 2.168 2.289 ( -0.796 0.000 0.287) 0.847 2.524 ( -14.285 0.000 10.409) 17.675 2.660 ( -0.335 0.000 0.873) 0.935 2.848 ( 1.054 -0.000 0.916) 1.396 2.865 ( -1.265 0.000 8.222) 8.319 3.061 ( 0.887 -0.000 1.574) 1.807 3.258 ( 10.452 -0.000 -11.523) 15.557 3.269 ( -2.111 0.000 0.546) 2.180 3.534 ( -7.545 0.000 -9.209) 11.905 3.681 ( 2.907 -0.000 -12.916) 13.239 3.823 ( -4.984 0.000 -0.772) 5.044 3.867 ( 8.403 -0.000 5.569) 10.081 4.017 ( 5.497 -0.000 -0.452) 5.516 4.183 ( 4.006 -0.000 0.184) 4.010 4.187 ( -3.476 0.000 3.857) 5.192 4.254 ( -1.606 0.000 0.336) 1.641 4.392 ( 0.325 -0.000 -0.087) 0.336 4.501 ( 1.226 -0.000 6.600) 6.713 4.629 ( -2.988 0.000 -1.549) 3.366 4.651 ( 1.238 -0.000 -1.283) 1.783 4.872 ( -1.309 0.000 -6.197) 6.333 5.115 ( -2.033 0.000 2.569) 3.277 5.160 ( -1.830 0.000 4.085) 4.476 5.524 ( -1.359 0.000 10.490) 10.577 5.677 ( 3.004 -0.000 -3.517) 4.626 5.952 ( 0.273 -0.000 -3.536) 3.546 6.047 ( -0.880 0.000 0.994) 1.328 6.121 ( -1.374 0.000 4.118) 4.341 6.147 ( -1.063 0.000 3.388) 3.551 6.542 ( -0.303 0.000 -0.958) 1.005 6.710 ( -2.425 0.000 0.843) 2.567 6.734 ( 2.244 -0.000 2.539) 3.389 6.795 ( 4.736 -0.000 0.213) 4.740 6.926 ( -0.191 0.000 -4.606) 4.610 7.278 ( -2.539 0.000 -0.192) 2.546 7.356 ( -1.745 0.000 1.150) 2.089 7.360 ( 0.944 -0.000 -2.042) 2.250 7.701 ( 1.228 -0.000 -2.598) 2.874 7.805 ( 0.496 -0.000 -1.028) 1.142 8.347 ( -0.248 0.000 0.972) 1.004 8.420 ( -1.203 0.000 -2.224) 2.528 8.489 ( 2.364 -0.000 1.462) 2.780 8.550 ( 0.231 -0.000 -0.628) 0.669 8.861 ( -8.485 0.000 0.417) 8.495 8.895 ( 8.127 -0.000 -0.710) 8.158 9.091 ( 1.309 -0.000 2.064) 2.444 9.219 ( -3.469 0.000 -0.813) 3.563 9.296 ( 3.784 -0.000 2.026) 4.292 9.565 ( -1.953 0.000 -4.399) 4.813 9.961 ( -1.894 0.000 2.447) 3.095 10.487 ( -1.822 0.000 0.164) 1.830 10.506 ( 2.090 -0.000 -0.316) 2.113 10.858 ( 2.847 -0.000 0.948) 3.001 11.060 ( -7.624 0.000 1.248) 7.725 11.238 ( 6.697 -0.000 -3.073) 7.369 11.495 ( -0.059 0.000 2.961) 2.962 11.758 ( -0.167 0.000 -1.248) 1.259 11.835 ( 0.530 -0.000 -0.762) 0.928 12.167 ( -2.497 0.000 3.440) 4.251 12.325 ( 2.189 -0.000 -2.781) 3.539 12.364 ( 3.476 -0.000 -1.288) 3.707 12.467 ( -0.342 0.000 -0.244) 0.421 12.559 ( 1.223 -0.000 -3.043) 3.279 12.721 ( -3.542 0.000 0.045) 3.542 12.788 ( -0.005 0.000 0.429) 0.429 12.870 ( 2.037 -0.000 -1.517) 2.540 13.099 ( 0.320 -0.000 1.202) 1.244 13.348 ( -1.292 0.000 -0.158) 1.301 13.514 ( -0.228 0.000 0.928) 0.956 14.023 ( 0.611 -0.000 -0.773) 0.985 14.175 ( 8.385 -0.000 3.131) 8.950 14.342 ( -10.197 0.000 1.096) 10.255 14.901 ( 0.399 -0.000 -0.558) 0.686 17.014 ( -1.059 0.000 2.667) 2.870 17.346 ( 3.221 -0.000 8.869) 9.436 17.578 ( 2.721 -0.000 -9.753) 10.126 17.941 ( -3.953 0.000 -10.904) 11.598 18.101 ( 0.318 -0.000 5.477) 5.486 18.290 ( -2.477 0.000 1.944) 3.149 19.023 ( 9.159 -0.000 0.895) 9.203 19.075 ( -9.017 0.000 -0.625) 9.038 19.177 ( 6.853 -0.000 8.289) 10.755 19.180 ( -0.848 0.000 0.310) 0.903 19.232 ( -4.602 0.000 -0.613) 4.643 19.534 ( 1.256 -0.000 -1.242) 1.766 20.567 ( 0.052 -0.000 -0.246) 0.252 20.629 ( 0.045 -0.000 -0.080) 0.091 20.702 ( 5.011 -0.000 0.571) 5.044 21.166 ( -11.207 0.000 -12.885) 17.077 21.497 ( -1.650 0.000 2.213) 2.760 21.726 ( 4.799 -0.000 2.454) 5.390 22.438 ( 5.040 -0.000 4.979) 7.084 22.531 ( -0.020 0.000 0.251) 0.252 22.596 ( -0.079 0.000 0.091) 0.121 23.564 ( -0.339 0.000 -3.066) 3.084 23.734 ( 0.185 -0.000 -1.708) 1.718 24.278 ( -1.646 0.000 1.963) 2.562 ======================= Grid point 106 (49/78) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.515 -4.230 0.236) 4.499 1.012 ( 1.830 -4.467 -0.761) 4.887 1.578 ( -4.217 -1.247 0.670) 4.448 1.623 ( -2.855 -6.556 5.276) 8.886 1.716 ( 7.148 -10.859 4.068) 13.622 1.840 ( 2.075 -5.716 5.816) 8.414 1.907 ( 3.383 -10.066 1.921) 10.791 2.063 ( 2.611 -11.481 -5.798) 13.124 2.107 ( 0.294 -0.207 0.848) 0.921 2.213 ( -0.048 0.468 -0.512) 0.695 2.246 ( 2.068 -4.124 -7.461) 8.772 2.269 ( 0.628 -1.274 -7.274) 7.411 2.419 ( -8.809 1.860 8.395) 12.310 2.642 ( 0.909 1.742 1.010) 2.209 2.832 ( -1.685 1.359 2.067) 2.993 2.902 ( 1.556 1.462 5.310) 5.723 3.046 ( -5.443 0.517 1.555) 5.684 3.130 ( -0.870 8.526 0.198) 8.572 3.280 ( 4.100 9.931 -9.435) 14.299 3.314 ( -14.717 11.675 -0.405) 18.790 3.625 ( -0.680 -6.976 -5.067) 8.649 3.775 ( -8.988 -1.652 -4.711) 10.281 3.898 ( 1.121 1.140 0.597) 1.707 4.030 ( 1.968 -1.111 0.784) 2.392 4.133 ( 1.230 2.594 -1.368) 3.180 4.199 ( -2.171 -3.277 0.945) 4.043 4.374 ( 1.429 -1.310 0.551) 2.016 4.429 ( 1.719 -0.356 7.034) 7.249 4.514 ( -1.297 -1.976 1.054) 2.588 4.592 ( -2.785 0.446 -0.114) 2.823 4.737 ( 1.756 -6.687 -1.506) 7.076 4.843 ( -1.358 -1.997 -6.103) 6.564 5.120 ( 0.633 0.894 3.538) 3.704 5.197 ( 3.209 -2.263 2.593) 4.706 5.476 ( -1.203 6.780 7.684) 10.318 5.635 ( 2.600 7.108 -1.408) 7.698 5.987 ( 1.371 1.035 0.082) 1.720 6.017 ( -4.864 2.374 -0.395) 5.427 6.105 ( 1.120 -3.799 0.519) 3.994 6.184 ( -1.209 -5.532 2.327) 6.122 6.485 ( -5.088 8.510 2.646) 10.262 6.619 ( 3.762 -2.997 -0.274) 4.818 6.790 ( -1.873 -0.457 -0.468) 1.984 6.887 ( 7.040 1.278 -2.198) 7.485 7.060 ( -1.586 -13.942 -4.077) 14.613 7.170 ( 1.783 6.507 3.712) 7.701 7.401 ( 0.520 -5.977 -1.160) 6.111 7.482 ( -0.533 -9.242 0.385) 9.265 7.727 ( -4.123 -1.040 -3.101) 5.263 7.782 ( 1.825 -1.364 -0.940) 2.464 8.295 ( -1.928 5.014 0.692) 5.416 8.381 ( -0.872 4.907 -0.032) 4.984 8.487 ( 3.790 0.249 -1.189) 3.979 8.507 ( -2.554 2.675 -0.218) 3.705 8.752 ( 1.129 5.181 1.125) 5.421 8.944 ( 0.589 -0.289 0.231) 0.696 9.033 ( -6.948 5.034 1.082) 8.647 9.263 ( -2.279 -2.002 0.869) 3.156 9.340 ( 3.851 -3.744 -1.170) 5.497 9.573 ( 2.301 -2.847 -2.282) 4.314 9.899 ( 1.096 6.223 1.740) 6.554 10.379 ( -3.937 7.630 0.395) 8.595 10.484 ( -0.164 3.974 -0.406) 3.998 10.902 ( -1.425 -1.863 0.660) 2.436 11.004 ( -8.996 -3.435 2.000) 9.835 11.286 ( 6.375 1.570 -2.770) 7.126 11.492 ( 1.877 2.991 2.494) 4.323 11.770 ( -6.516 1.734 0.327) 6.751 11.782 ( 1.468 -2.460 -1.107) 3.072 12.137 ( -7.268 11.719 -2.805) 14.072 12.223 ( -0.357 -5.320 2.828) 6.036 12.404 ( 3.809 -0.188 -3.496) 5.174 12.447 ( 4.051 1.843 0.814) 4.524 12.563 ( -0.049 1.094 -1.470) 1.833 12.818 ( 0.726 -10.262 0.107) 10.288 12.863 ( 9.768 0.027 -0.330) 9.774 13.008 ( 7.777 -8.825 -3.233) 12.199 13.147 ( 0.650 -4.297 1.567) 4.620 13.338 ( 0.203 0.483 -0.223) 0.569 13.507 ( 0.788 1.117 0.962) 1.671 13.973 ( 1.028 5.738 -1.539) 6.030 14.215 ( -6.937 4.371 -0.505) 8.215 14.286 ( 7.369 -1.691 6.958) 10.275 14.855 ( 0.841 5.313 -1.096) 5.490 17.038 ( -0.903 -2.895 1.654) 3.454 17.375 ( 4.829 5.320 2.654) 7.659 17.591 ( 2.165 -2.676 0.195) 3.447 17.937 ( -0.698 -6.449 -11.508) 13.211 18.181 ( -0.791 -5.461 5.897) 8.076 18.258 ( -2.831 -0.163 0.869) 2.966 18.922 ( -9.279 6.284 2.502) 11.483 19.009 ( -8.597 1.741 -2.287) 9.065 19.170 ( 7.619 -0.281 0.005) 7.624 19.222 ( 0.049 -3.923 3.379) 5.178 19.355 ( 4.117 -2.224 -0.517) 4.708 19.623 ( 7.524 -5.897 1.145) 9.627 20.407 ( -0.208 19.906 -0.241) 19.909 20.478 ( 2.300 10.608 -0.370) 10.861 20.738 ( -0.108 0.727 2.019) 2.148 21.026 ( -7.531 1.163 -10.401) 12.894 21.607 ( -1.888 -12.782 1.411) 12.998 21.881 ( 1.452 -10.710 1.437) 10.903 22.498 ( 3.561 1.534 2.661) 4.703 22.528 ( 0.405 0.201 0.516) 0.686 22.578 ( 0.544 0.868 0.874) 1.346 23.545 ( -1.003 0.207 -2.921) 3.096 23.704 ( -1.780 1.888 -1.509) 3.002 24.274 ( -0.408 0.072 2.003) 2.045 ======================= Grid point 107 (50/78) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 1.580 -4.977 0.290) 5.229 1.147 ( 1.147 -8.827 -0.597) 8.921 1.549 ( -4.053 -0.117 -2.208) 4.617 1.700 ( 1.424 -0.678 2.399) 2.871 1.831 ( 5.336 4.023 2.898) 7.284 1.890 ( -4.104 0.210 3.603) 5.465 2.097 ( -1.074 -3.268 -6.373) 7.242 2.161 ( 1.662 0.106 -4.074) 4.402 2.174 ( -2.056 1.514 -0.893) 2.706 2.216 ( 1.563 -4.447 2.031) 5.132 2.340 ( 1.163 -4.005 1.791) 4.539 2.384 ( -4.614 -4.746 -4.003) 7.736 2.465 ( -3.977 -12.640 -4.572) 14.018 2.567 ( -7.594 2.329 2.840) 8.436 2.748 ( -4.431 0.920 -1.764) 4.857 2.843 ( -2.135 4.878 0.205) 5.329 2.889 ( -5.603 0.821 2.791) 6.313 2.970 ( 8.744 6.800 -2.433) 11.341 3.165 ( -1.811 -3.486 3.530) 5.281 3.243 ( 1.500 -6.164 3.888) 7.441 3.679 ( -6.680 -0.374 -5.663) 8.765 3.765 ( -3.257 -6.162 0.099) 6.971 3.932 ( 2.233 -3.703 1.394) 4.543 4.008 ( 3.073 5.789 -3.665) 7.509 4.139 ( 3.248 0.073 1.303) 3.500 4.270 ( -0.192 -5.175 -1.120) 5.299 4.338 ( -0.053 4.685 3.564) 5.886 4.437 ( 0.378 2.851 2.814) 4.023 4.516 ( -4.933 -1.600 3.687) 6.363 4.597 ( -6.588 -4.862 0.581) 8.208 4.807 ( -1.479 -2.586 -2.658) 3.993 4.894 ( -0.066 -4.922 -7.096) 8.636 5.110 ( 1.119 2.370 6.142) 6.678 5.289 ( 5.054 -0.678 1.577) 5.338 5.366 ( 0.166 5.577 3.318) 6.492 5.505 ( 1.075 8.896 -0.475) 8.973 5.861 ( 0.675 6.041 0.326) 6.087 6.024 ( -7.085 -2.575 -0.424) 7.551 6.134 ( -2.795 0.169 1.207) 3.049 6.309 ( -0.354 -7.162 1.202) 7.270 6.361 ( 2.079 3.716 1.218) 4.429 6.696 ( -4.078 5.932 -0.656) 7.228 6.767 ( 0.164 6.193 -1.681) 6.419 6.835 ( 8.298 -5.333 -2.263) 10.120 7.124 ( -0.269 -3.580 1.773) 4.004 7.274 ( -1.115 -3.213 -2.476) 4.207 7.520 ( 0.003 -7.167 -0.332) 7.175 7.597 ( -5.847 -0.491 -2.005) 6.200 7.643 ( 0.303 -6.902 2.492) 7.345 7.955 ( 3.235 -10.726 -2.656) 11.514 8.172 ( -1.687 4.965 1.475) 5.447 8.275 ( -1.951 4.835 0.649) 5.254 8.430 ( -4.576 2.197 0.565) 5.107 8.568 ( 4.072 -3.721 -1.718) 5.777 8.699 ( 11.018 7.049 -2.374) 13.294 8.771 ( -4.794 14.336 2.377) 15.302 9.007 ( -5.955 -8.134 1.694) 10.223 9.246 ( -3.167 -1.082 0.539) 3.390 9.478 ( 4.516 -4.554 -1.510) 6.589 9.632 ( 4.472 2.066 0.584) 4.960 9.824 ( -2.136 0.338 0.667) 2.263 10.210 ( -3.222 6.585 0.129) 7.332 10.363 ( -4.448 6.453 -0.659) 7.865 10.858 ( -1.670 6.899 2.492) 7.523 11.010 ( -6.652 -6.285 0.763) 9.183 11.300 ( 4.048 1.534 -1.926) 4.738 11.414 ( -2.140 6.445 1.402) 6.934 11.714 ( -0.680 0.406 0.928) 1.220 11.844 ( -6.544 8.057 -2.506) 10.678 11.884 ( 1.262 -3.922 -0.247) 4.127 12.316 ( 3.405 -1.728 0.648) 3.873 12.421 ( -0.526 -2.279 -2.622) 3.514 12.507 ( 5.395 -0.463 0.496) 5.437 12.547 ( 0.849 -1.227 -1.778) 2.321 12.869 ( 6.772 8.882 -1.186) 11.232 13.018 ( 1.897 -9.089 -0.375) 9.292 13.170 ( 2.316 -4.174 -3.174) 5.732 13.279 ( 3.668 -1.552 3.407) 5.241 13.355 ( 5.057 -3.015 -2.980) 6.599 13.522 ( 0.912 -3.915 0.480) 4.049 13.887 ( 4.963 6.005 -1.334) 7.904 14.056 ( -7.074 5.518 2.758) 9.386 14.413 ( 7.146 -1.169 5.443) 9.059 14.756 ( 0.564 5.656 -1.419) 5.859 17.100 ( 0.397 -4.270 -0.164) 4.292 17.304 ( 3.833 6.027 -3.708) 8.047 17.706 ( 1.690 -4.906 8.735) 10.160 18.032 ( 0.058 -7.919 -10.626) 13.252 18.167 ( -2.367 4.929 8.915) 10.458 18.364 ( -0.620 -9.998 -0.611) 10.036 18.723 ( -7.492 5.861 1.010) 9.565 18.888 ( -7.959 1.366 -5.566) 9.808 19.256 ( 6.014 -0.759 0.856) 6.122 19.321 ( 0.783 -5.423 1.501) 5.681 19.366 ( -3.606 0.579 -1.163) 3.832 19.845 ( 10.321 -7.550 1.072) 12.833 20.058 ( 2.147 18.479 0.225) 18.605 20.327 ( 5.653 10.335 -0.165) 11.781 20.664 ( -9.735 1.442 -4.633) 10.877 20.939 ( 1.821 3.606 2.506) 4.754 21.838 ( -1.688 -14.474 0.118) 14.572 22.039 ( -2.502 -6.755 -0.429) 7.216 22.449 ( -1.479 4.209 0.226) 4.467 22.514 ( -0.516 0.702 1.037) 1.355 22.645 ( 6.201 -2.126 0.237) 6.559 23.521 ( -1.257 0.230 -1.728) 2.149 23.634 ( -2.908 2.554 -0.652) 3.924 24.279 ( 0.290 0.043 1.943) 1.965 ======================= Grid point 108 (51/78) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.216 -3.899 0.130) 4.486 1.286 ( 0.098 -5.528 0.233) 5.534 1.522 ( 1.712 -1.401 -6.797) 7.148 1.617 ( -13.400 11.415 0.091) 17.603 1.738 ( 5.782 3.189 -3.240) 7.355 1.803 ( -5.334 4.440 0.291) 6.946 1.908 ( -19.717 9.300 -0.812) 21.815 2.089 ( -1.767 2.403 -1.919) 3.547 2.134 ( -3.318 -3.751 -7.701) 9.186 2.207 ( 0.791 -0.993 -3.599) 3.816 2.334 ( -4.545 -5.108 -1.543) 7.009 2.426 ( 0.883 -0.760 -0.008) 1.166 2.553 ( 3.451 0.002 -3.151) 4.673 2.590 ( -2.194 4.448 3.239) 5.923 2.703 ( 6.327 0.116 2.791) 6.916 2.802 ( 2.280 -1.905 0.664) 3.044 2.963 ( 5.822 -1.589 1.435) 6.203 3.176 ( 7.040 -9.770 10.227) 15.799 3.275 ( -3.684 -11.375 3.333) 12.413 3.499 ( 9.071 -13.397 -0.273) 16.181 3.652 ( -0.768 -2.222 -5.255) 5.757 3.732 ( -12.828 -1.769 3.599) 13.440 3.942 ( 3.608 2.183 -3.068) 5.215 4.025 ( 5.806 1.730 -3.613) 7.054 4.179 ( 1.674 -0.273 2.608) 3.111 4.245 ( -2.473 2.677 3.575) 5.105 4.291 ( -4.220 1.936 -2.051) 5.076 4.427 ( -9.394 0.070 1.432) 9.503 4.471 ( 6.086 1.274 1.469) 6.389 4.630 ( -1.401 -1.809 4.184) 4.768 4.777 ( -8.346 -1.582 -3.250) 9.095 4.958 ( 1.554 -3.647 -0.534) 4.000 5.082 ( -0.034 3.861 2.885) 4.820 5.265 ( 1.608 3.429 2.728) 4.667 5.348 ( 1.843 5.964 -1.979) 6.548 5.417 ( 2.528 -1.576 -2.190) 3.697 5.847 ( 2.581 -2.177 0.522) 3.417 5.966 ( -4.348 0.805 -0.609) 4.463 6.096 ( -4.536 0.795 1.839) 4.958 6.325 ( -2.000 4.878 1.965) 5.626 6.394 ( -0.763 -3.180 0.601) 3.325 6.475 ( -1.189 9.304 -2.320) 9.662 6.635 ( -3.157 3.719 -0.393) 4.895 7.110 ( 12.980 -7.548 -1.534) 15.094 7.138 ( -7.238 1.663 -2.166) 7.736 7.260 ( 5.335 -4.244 1.219) 6.925 7.552 ( -6.939 -0.707 -0.781) 7.018 7.639 ( -0.126 -5.263 -1.589) 5.499 7.840 ( 2.330 -10.870 0.859) 11.150 7.955 ( -3.193 4.581 0.139) 5.586 8.165 ( -2.023 5.068 -1.748) 5.730 8.235 ( 2.504 -0.900 0.359) 2.685 8.348 ( -2.597 0.517 1.792) 3.198 8.478 ( -2.997 9.943 3.269) 10.887 8.691 ( 3.148 -4.700 0.650) 5.694 8.807 ( 8.310 -5.351 -1.784) 10.044 9.073 ( -4.906 -4.015 0.504) 6.359 9.247 ( -2.556 -2.160 0.885) 3.461 9.506 ( 5.655 7.184 1.401) 9.249 9.600 ( 2.161 2.672 -0.661) 3.499 9.893 ( -4.379 -9.387 -0.030) 10.359 10.105 ( -0.152 4.488 -0.072) 4.491 10.228 ( -6.368 -0.432 -0.691) 6.420 10.650 ( -0.330 15.642 1.238) 15.694 11.094 ( -2.136 -7.865 0.416) 8.161 11.292 ( -3.523 2.650 0.894) 4.498 11.310 ( 2.800 1.742 -0.081) 3.299 11.581 ( -4.845 10.256 -0.708) 11.365 11.732 ( 1.208 0.613 -2.057) 2.462 12.055 ( 1.663 -11.353 0.293) 11.478 12.352 ( 5.798 2.569 -1.353) 6.485 12.441 ( -2.404 -1.710 -1.424) 3.276 12.549 ( -0.718 -2.980 -0.495) 3.105 12.613 ( 6.043 -0.718 -1.832) 6.355 12.687 ( 0.936 14.225 -0.306) 14.259 13.140 ( 0.898 -3.582 0.076) 3.694 13.247 ( 1.924 -0.498 -2.422) 3.133 13.290 ( -1.283 -4.780 0.137) 4.951 13.382 ( 4.334 4.404 0.027) 6.179 13.709 ( 1.876 -9.700 -0.314) 9.885 13.826 ( 2.647 5.848 -2.718) 6.971 13.959 ( -0.617 1.698 6.733) 6.971 14.474 ( 3.469 1.449 -1.727) 4.137 14.688 ( 0.490 2.423 2.135) 3.266 17.188 ( 1.887 -4.966 -2.246) 5.767 17.247 ( 3.684 3.490 -4.020) 6.474 17.798 ( -3.195 -2.669 7.502) 8.580 18.026 ( -4.460 6.564 7.876) 11.181 18.166 ( 3.605 -4.664 -3.404) 6.807 18.491 ( -2.255 -5.305 0.536) 5.789 18.643 ( -0.955 -2.350 -2.755) 3.745 18.772 ( -2.917 3.139 -7.300) 8.465 19.222 ( -9.053 3.927 0.287) 9.872 19.337 ( 5.204 0.768 -1.811) 5.564 19.411 ( 0.029 -3.611 1.000) 3.747 19.877 ( 1.982 5.545 1.662) 6.119 20.067 ( 9.284 -4.992 0.191) 10.543 20.257 ( 8.540 5.976 -0.374) 10.430 20.505 ( -12.887 0.532 -6.994) 14.673 20.943 ( 5.412 2.919 10.953) 12.561 22.015 ( -0.685 -4.561 -2.953) 5.476 22.089 ( -4.813 -7.694 0.595) 9.095 22.354 ( -0.847 5.083 -1.926) 5.501 22.515 ( -0.052 -0.487 1.905) 1.967 22.716 ( 2.727 -0.224 -2.245) 3.539 23.504 ( -1.050 -0.090 -0.310) 1.099 23.576 ( -1.230 1.325 0.844) 1.995 24.289 ( 0.191 -0.093 1.838) 1.851 ======================= Grid point 114 (52/78) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -1.246 0.000 -0.125) 1.252 0.991 ( 0.721 -0.000 -0.105) 0.729 1.440 ( -14.456 0.000 7.575) 16.321 1.577 ( -0.126 0.000 3.820) 3.822 1.615 ( 1.976 -0.000 2.290) 3.025 1.803 ( 7.206 -0.000 5.259) 8.921 1.897 ( 5.297 -0.000 1.032) 5.397 2.018 ( 4.420 -0.000 -4.372) 6.217 2.097 ( -4.258 0.000 -1.171) 4.416 2.192 ( 6.167 -0.000 -8.436) 10.449 2.208 ( 1.304 -0.000 -3.280) 3.530 2.295 ( 0.908 -0.000 1.072) 1.405 2.445 ( -3.216 0.000 9.718) 10.236 2.682 ( 1.293 -0.000 0.642) 1.444 2.865 ( 0.355 -0.000 1.632) 1.670 2.920 ( 0.947 -0.000 4.257) 4.361 2.973 ( -8.818 0.000 4.563) 9.929 3.256 ( -15.904 0.000 -5.680) 16.887 3.287 ( 3.386 -0.000 -0.601) 3.439 3.390 ( 4.578 -0.000 -4.879) 6.691 3.495 ( -21.397 0.000 0.638) 21.407 3.547 ( -8.912 0.000 -6.252) 10.887 3.915 ( -7.307 0.000 3.346) 8.037 3.950 ( -9.690 0.000 -6.099) 11.449 4.009 ( 1.598 -0.000 -4.504) 4.779 4.217 ( 2.511 -0.000 -2.665) 3.661 4.387 ( 0.970 -0.000 -0.446) 1.068 4.478 ( 4.768 -0.000 1.855) 5.116 4.569 ( -3.355 0.000 0.730) 3.434 4.596 ( 3.082 -0.000 7.608) 8.208 4.658 ( -0.181 0.000 -0.715) 0.738 4.773 ( -1.539 0.000 -4.845) 5.083 5.169 ( 3.391 -0.000 2.843) 4.426 5.238 ( 7.606 -0.000 3.429) 8.343 5.588 ( 1.649 -0.000 8.941) 9.092 5.749 ( 5.505 -0.000 -2.348) 5.984 5.879 ( -4.787 0.000 -2.968) 5.632 6.078 ( 1.298 -0.000 -0.497) 1.390 6.108 ( -1.924 0.000 2.209) 2.930 6.130 ( -0.598 0.000 4.927) 4.963 6.528 ( -10.847 0.000 -0.840) 10.880 6.543 ( 0.422 -0.000 1.221) 1.291 6.790 ( 1.664 -0.000 -0.107) 1.668 6.928 ( 4.405 -0.000 -0.730) 4.465 6.997 ( 7.150 -0.000 -2.494) 7.573 7.243 ( -0.498 0.000 0.511) 0.714 7.356 ( 1.481 -0.000 2.528) 2.930 7.395 ( 3.355 -0.000 -1.325) 3.607 7.651 ( -5.196 0.000 -4.013) 6.565 7.806 ( 2.684 -0.000 -0.647) 2.761 8.307 ( -4.906 0.000 1.084) 5.024 8.423 ( 2.094 -0.000 -0.999) 2.320 8.472 ( -6.899 0.000 -0.827) 6.949 8.593 ( -14.846 0.000 -0.083) 14.846 8.600 ( 5.908 -0.000 1.191) 6.026 8.972 ( -8.555 0.000 -1.116) 8.627 9.097 ( 9.597 -0.000 0.008) 9.597 9.214 ( -3.221 0.000 0.942) 3.356 9.366 ( 3.758 -0.000 -1.595) 4.082 9.566 ( 5.582 -0.000 -1.235) 5.717 9.998 ( 3.475 -0.000 2.963) 4.567 10.399 ( -7.111 0.000 0.459) 7.126 10.522 ( 0.492 -0.000 -0.857) 0.988 10.786 ( -12.323 0.000 -2.697) 12.615 10.928 ( -3.273 0.000 5.799) 6.659 11.351 ( 5.362 -0.000 -3.754) 6.545 11.564 ( 4.725 -0.000 2.303) 5.257 11.677 ( -12.100 0.000 0.405) 12.107 11.778 ( 2.803 -0.000 -0.876) 2.937 12.172 ( 0.159 -0.000 3.072) 3.076 12.192 ( -8.186 0.000 -6.404) 10.393 12.351 ( -3.055 0.000 -3.169) 4.402 12.447 ( -1.396 0.000 0.150) 1.404 12.660 ( 5.546 -0.000 -1.569) 5.764 12.759 ( 4.716 -0.000 2.909) 5.541 12.992 ( 17.151 -0.000 0.424) 17.157 13.033 ( 15.267 -0.000 -3.143) 15.587 13.130 ( 2.612 -0.000 0.893) 2.760 13.350 ( 1.107 -0.000 -0.199) 1.125 13.532 ( 1.248 -0.000 1.227) 1.751 14.018 ( -0.679 0.000 -1.660) 1.794 14.186 ( -4.682 0.000 -0.945) 4.776 14.385 ( 8.960 -0.000 8.961) 12.672 14.920 ( 1.861 -0.000 -0.723) 1.996 17.005 ( -1.605 0.000 2.776) 3.207 17.549 ( 10.467 -0.000 9.958) 14.448 17.561 ( 1.778 -0.000 -9.138) 9.309 17.821 ( -0.285 0.000 -11.291) 11.295 18.123 ( -1.273 0.000 2.875) 3.144 18.239 ( -3.896 0.000 4.111) 5.664 18.834 ( -12.350 0.000 -0.327) 12.354 18.978 ( -12.762 0.000 2.171) 12.946 19.107 ( -3.100 0.000 0.805) 3.202 19.241 ( 7.657 -0.000 -0.307) 7.664 19.525 ( 15.139 -0.000 2.650) 15.369 19.611 ( 6.000 -0.000 -1.061) 6.093 20.600 ( -16.581 0.000 -6.159) 17.688 20.603 ( 3.523 -0.000 -0.233) 3.531 20.659 ( 2.974 -0.000 -0.075) 2.975 21.018 ( 3.895 -0.000 1.853) 4.313 21.453 ( -3.512 0.000 0.915) 3.629 21.794 ( 1.598 -0.000 1.431) 2.145 22.520 ( -1.202 0.000 0.237) 1.225 22.568 ( -2.737 0.000 0.096) 2.739 22.575 ( 5.763 -0.000 -1.913) 6.072 23.524 ( -1.385 0.000 -2.943) 3.252 23.690 ( -3.444 0.000 -1.435) 3.732 24.283 ( 0.543 -0.000 2.757) 2.810 ======================= Grid point 115 (53/78) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.287 -6.543 0.680) 6.703 1.036 ( 1.103 -5.049 -0.744) 5.221 1.377 ( -15.825 -7.458 8.464) 19.435 1.658 ( 0.396 -2.434 3.652) 4.407 1.771 ( -6.348 -14.911 4.517) 16.824 1.940 ( 1.784 -3.958 0.779) 4.411 2.032 ( 1.873 -2.535 -3.767) 4.912 2.065 ( 0.246 -8.758 -1.230) 8.847 2.138 ( 5.913 -7.886 1.541) 9.977 2.171 ( -1.836 0.231 0.910) 2.062 2.281 ( 0.435 3.556 1.635) 3.938 2.292 ( 7.865 -3.144 -6.219) 10.507 2.359 ( -4.648 2.842 -0.267) 5.455 2.620 ( -9.207 10.313 -0.094) 13.826 2.750 ( -5.062 8.827 -3.058) 10.625 2.826 ( -2.126 1.842 -0.106) 2.815 2.935 ( -4.420 3.021 3.104) 6.188 3.061 ( -6.106 -0.339 1.437) 6.282 3.225 ( 3.825 3.531 -1.577) 5.439 3.262 ( -1.097 5.187 2.783) 5.988 3.460 ( -9.317 -7.118 -0.380) 11.731 3.616 ( -4.284 -7.903 -1.732) 9.155 3.848 ( -4.491 -3.898 -0.312) 5.955 3.932 ( -15.188 -7.610 -3.138) 17.275 4.079 ( 3.877 -4.542 -5.611) 8.194 4.219 ( 3.261 0.040 -3.230) 4.590 4.375 ( -1.995 -0.237 -0.487) 2.068 4.473 ( -1.585 4.879 -0.183) 5.133 4.519 ( -1.310 0.770 0.574) 1.625 4.595 ( 2.949 2.365 9.800) 10.503 4.711 ( -3.124 -2.973 -3.012) 5.260 4.817 ( 2.408 -4.717 -2.697) 5.943 5.195 ( 3.658 1.673 4.818) 6.277 5.348 ( 8.990 -0.258 2.273) 9.276 5.543 ( 2.822 9.348 6.271) 11.605 5.662 ( -0.063 8.718 -1.207) 8.801 5.886 ( -5.004 -1.994 -0.863) 5.456 6.011 ( -2.224 5.495 0.532) 5.951 6.117 ( 2.810 -0.534 -2.998) 4.144 6.213 ( 1.911 -5.337 4.092) 6.992 6.401 ( -4.247 1.097 1.536) 4.648 6.651 ( -2.104 -6.983 1.124) 7.379 6.790 ( 2.373 -0.950 -2.060) 3.283 6.909 ( -3.616 6.936 -0.816) 7.864 7.026 ( 2.404 -1.018 -3.102) 4.054 7.296 ( 3.972 -1.470 3.017) 5.200 7.394 ( -2.728 -3.794 2.367) 5.238 7.509 ( 3.196 -8.049 0.261) 8.665 7.588 ( -3.293 0.283 -6.330) 7.141 7.850 ( 5.266 -2.804 -0.034) 5.966 8.214 ( -7.683 2.996 1.285) 8.345 8.333 ( -3.783 4.639 0.484) 6.005 8.397 ( -7.990 1.927 0.551) 8.238 8.526 ( -0.187 -4.492 -0.112) 4.497 8.741 ( -3.098 -6.729 -2.604) 7.852 8.873 ( -3.653 2.693 -1.296) 4.720 9.059 ( 8.504 11.565 2.170) 14.518 9.166 ( -5.252 -1.256 -1.790) 5.689 9.439 ( 5.601 -3.137 -1.155) 6.523 9.664 ( 5.883 -2.329 0.606) 6.356 9.961 ( 2.780 9.121 2.849) 9.952 10.267 ( -7.565 5.136 0.703) 9.171 10.421 ( -5.469 7.066 -2.331) 9.234 10.770 ( -7.871 -9.800 0.004) 12.570 10.924 ( -3.481 0.258 5.198) 6.261 11.362 ( 3.689 2.138 -4.670) 6.324 11.496 ( -5.808 5.613 1.290) 8.180 11.667 ( 0.059 -3.515 1.259) 3.735 11.818 ( 1.113 -1.073 -1.097) 1.896 11.949 ( -7.718 9.420 -3.355) 12.632 12.238 ( -0.417 -4.663 2.904) 5.509 12.369 ( -1.195 -2.139 -3.073) 3.930 12.517 ( 3.302 -7.829 -4.781) 9.749 12.647 ( 5.099 4.763 -0.508) 6.996 12.874 ( 3.162 -6.130 2.203) 7.241 13.119 ( 12.663 5.135 -1.503) 13.747 13.165 ( 8.981 0.273 -1.482) 9.106 13.275 ( 13.625 -7.629 0.037) 15.615 13.351 ( 0.984 1.155 -0.334) 1.554 13.544 ( 1.887 1.159 1.397) 2.618 13.980 ( -0.471 1.583 -0.662) 1.780 14.107 ( -1.103 5.405 -2.325) 5.986 14.511 ( 8.555 0.460 11.987) 14.734 14.874 ( 1.581 6.506 -1.233) 6.808 17.028 ( -1.304 -3.472 2.197) 4.310 17.451 ( 3.630 7.573 -6.886) 10.860 17.737 ( 9.238 -1.796 9.109) 13.098 17.865 ( 1.604 -6.929 -10.688) 12.838 18.180 ( -2.638 -7.334 -1.913) 8.026 18.219 ( -1.738 0.071 8.280) 8.460 18.709 ( -11.760 1.378 1.423) 11.925 18.797 ( -10.538 3.761 -2.304) 11.424 19.144 ( -5.380 -5.969 1.516) 8.177 19.319 ( 5.815 -0.890 0.058) 5.883 19.533 ( 10.082 8.065 -0.954) 12.947 19.812 ( 9.620 -7.787 0.526) 12.388 20.315 ( -12.774 9.291 -3.503) 16.179 20.554 ( 4.913 9.829 -0.468) 10.998 20.590 ( -2.696 6.543 -3.899) 8.080 21.066 ( 5.793 2.430 8.930) 10.918 21.556 ( -3.519 -13.808 0.488) 14.258 21.899 ( 0.336 -7.622 0.232) 7.633 22.496 ( -2.282 3.233 -0.839) 4.046 22.510 ( -1.427 -0.018 0.119) 1.432 22.639 ( 3.260 -2.937 -6.586) 7.914 23.501 ( -1.675 -0.079 -1.775) 2.441 23.631 ( -4.426 1.460 -0.472) 4.684 24.300 ( 1.245 0.417 3.411) 3.655 ======================= Grid point 116 (54/78) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 2.423 -5.466 -0.586) 6.008 1.193 ( 3.669 -8.448 1.388) 9.314 1.412 ( -9.124 -8.434 2.527) 12.679 1.648 ( -13.789 3.582 1.943) 14.378 1.795 ( -6.244 -2.273 1.529) 6.818 1.878 ( -9.238 6.761 -1.247) 11.516 1.899 ( -11.843 14.561 -1.091) 18.801 2.018 ( 1.305 -0.256 -2.540) 2.867 2.127 ( 0.695 3.479 -0.128) 3.550 2.204 ( 0.482 1.214 0.541) 1.414 2.285 ( 2.504 -1.065 -2.356) 3.600 2.433 ( 4.968 -2.437 -7.756) 9.528 2.534 ( 5.296 -16.516 -1.359) 17.397 2.571 ( 3.821 -3.029 4.831) 6.864 2.705 ( 0.575 -3.155 2.418) 4.017 2.820 ( 0.475 3.045 -1.843) 3.591 2.909 ( 3.897 -7.959 0.677) 8.887 3.086 ( -8.102 -9.812 0.350) 12.730 3.208 ( 12.935 1.623 0.104) 13.036 3.338 ( 3.997 -5.695 5.121) 8.639 3.471 ( -11.421 -8.117 1.437) 14.085 3.619 ( -5.235 -0.377 -1.917) 5.588 3.882 ( -20.950 -8.898 -1.837) 22.835 3.963 ( 0.919 -7.447 -3.081) 8.112 4.105 ( 1.303 1.212 2.068) 2.728 4.269 ( 0.573 -0.363 -1.531) 1.675 4.326 ( -7.765 3.897 0.530) 8.704 4.381 ( 2.013 0.235 0.060) 2.027 4.551 ( 3.799 -2.951 -2.399) 5.375 4.595 ( -1.048 3.362 6.103) 7.046 4.670 ( -4.078 -0.590 -2.150) 4.647 4.928 ( 3.995 -4.050 0.158) 5.691 5.220 ( 5.443 3.924 5.284) 8.541 5.380 ( 1.037 3.820 -0.910) 4.061 5.424 ( 3.361 8.328 2.787) 9.403 5.511 ( 0.524 7.049 -0.643) 7.098 5.838 ( -2.803 -0.199 0.149) 2.814 5.939 ( -0.495 1.995 -1.782) 2.721 6.121 ( 2.267 1.620 -0.875) 2.920 6.297 ( -1.771 -1.434 1.816) 2.914 6.403 ( 0.935 -1.070 2.143) 2.572 6.586 ( -6.374 6.885 0.434) 9.393 6.672 ( -6.757 8.859 -2.519) 11.423 6.997 ( 3.737 -13.503 -2.699) 14.268 7.062 ( -1.078 -3.357 0.413) 3.550 7.299 ( 1.664 0.950 1.724) 2.577 7.446 ( -5.324 -4.695 0.188) 7.101 7.583 ( 4.376 -1.174 -3.907) 5.982 7.688 ( 2.233 -8.928 0.587) 9.222 7.977 ( -1.863 -1.566 -0.531) 2.492 8.146 ( -0.688 -4.399 3.326) 5.557 8.216 ( -4.797 3.521 -0.038) 5.951 8.324 ( -5.471 -0.574 1.373) 5.670 8.596 ( -5.137 7.020 -3.819) 9.500 8.610 ( -1.089 -3.172 0.903) 3.473 8.910 ( 1.531 -1.375 1.106) 2.336 9.038 ( 13.420 4.028 0.714) 14.030 9.156 ( -4.983 -4.245 -1.717) 6.767 9.553 ( 2.657 -4.747 -0.965) 5.525 9.718 ( 1.635 1.543 2.411) 3.297 9.786 ( -2.630 8.843 2.337) 9.517 10.141 ( -3.803 2.751 -0.144) 4.696 10.238 ( -5.042 5.680 -2.671) 8.051 10.841 ( -3.124 7.327 3.014) 8.516 10.896 ( -3.559 -10.427 0.865) 11.052 11.309 ( -3.853 3.573 -1.097) 5.368 11.380 ( 0.868 3.192 -0.900) 3.428 11.662 ( -9.104 7.197 -0.546) 11.618 11.720 ( 0.303 -1.512 -0.845) 1.758 11.935 ( 2.986 -4.901 -0.085) 5.739 12.294 ( -3.502 -3.381 0.969) 4.963 12.412 ( -0.511 -4.560 -0.556) 4.622 12.575 ( 5.416 4.371 -1.693) 7.162 12.700 ( 9.697 -0.781 -4.968) 10.924 12.965 ( 3.280 5.127 -0.492) 6.106 13.119 ( 8.002 1.890 -0.917) 8.273 13.205 ( 4.290 0.607 -2.442) 4.973 13.321 ( 0.969 3.018 0.578) 3.222 13.514 ( 3.319 4.903 0.687) 5.960 13.572 ( 9.448 -10.617 -0.745) 14.231 13.956 ( -4.268 4.690 1.047) 6.427 14.010 ( 8.144 2.854 -1.588) 8.775 14.567 ( 4.161 4.749 5.235) 8.202 14.763 ( -0.148 5.830 1.450) 6.010 17.107 ( 0.072 -5.546 0.723) 5.594 17.356 ( 4.303 5.731 -5.387) 8.965 17.820 ( 3.100 3.216 8.178) 9.319 17.975 ( 1.448 -6.503 -6.879) 9.576 18.205 ( 1.099 1.189 4.239) 4.538 18.336 ( -1.672 -9.708 0.575) 9.868 18.573 ( -7.868 0.814 2.374) 8.259 18.680 ( -8.206 -1.954 -6.736) 10.795 19.158 ( -7.101 -1.325 0.994) 7.291 19.386 ( 3.608 -1.829 0.421) 4.067 19.488 ( 8.351 7.328 -1.652) 11.232 19.976 ( 2.168 0.303 1.599) 2.711 20.126 ( 1.141 -0.251 -2.325) 2.602 20.386 ( -4.657 7.035 -4.788) 9.701 20.468 ( 4.912 8.137 -0.134) 9.506 21.101 ( 5.267 3.851 11.916) 13.586 21.789 ( -3.042 -15.739 0.091) 16.030 21.984 ( -1.331 -3.340 -2.764) 4.535 22.411 ( -1.251 3.656 -2.079) 4.388 22.508 ( -0.742 -0.364 0.763) 1.125 22.686 ( -0.685 -2.996 -6.996) 7.641 23.484 ( -1.904 -0.427 -0.098) 1.954 23.575 ( -2.650 0.428 1.089) 2.897 24.311 ( 1.153 1.018 3.405) 3.737 ======================= Grid point 123 (55/78) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.197 0.000 0.338) 0.391 0.982 ( -1.589 0.000 -0.477) 1.659 1.175 ( -19.167 0.000 20.340) 27.948 1.473 ( -14.889 0.000 9.187) 17.496 1.648 ( -1.054 0.000 2.022) 2.280 1.902 ( -1.087 0.000 -5.614) 5.719 1.911 ( -4.066 0.000 0.694) 4.125 2.012 ( -11.909 0.000 -5.644) 13.179 2.144 ( 7.473 -0.000 1.280) 7.581 2.161 ( -3.113 0.000 4.381) 5.375 2.228 ( -17.235 0.000 -0.282) 17.237 2.337 ( 1.954 -0.000 2.747) 3.371 2.386 ( 12.237 -0.000 -6.216) 13.725 2.660 ( -8.870 0.000 -0.809) 8.907 2.801 ( -2.692 0.000 -0.587) 2.756 2.869 ( -0.353 0.000 -1.065) 1.122 2.932 ( -18.540 0.000 -0.327) 18.543 3.030 ( 3.972 -0.000 4.502) 6.004 3.053 ( 0.653 -0.000 -1.149) 1.322 3.329 ( -2.980 0.000 1.288) 3.246 3.383 ( 0.152 -0.000 1.590) 1.597 3.535 ( 3.264 -0.000 4.561) 5.609 3.768 ( -8.790 0.000 3.742) 9.553 3.786 ( -0.258 0.000 -14.579) 14.581 3.981 ( 1.576 -0.000 -12.064) 12.166 4.257 ( 4.121 -0.000 -3.135) 5.178 4.332 ( -4.777 0.000 -0.347) 4.789 4.463 ( -8.512 0.000 3.507) 9.207 4.542 ( 1.318 -0.000 -1.371) 1.902 4.622 ( -3.253 0.000 0.069) 3.254 4.714 ( 3.563 -0.000 6.894) 7.761 4.810 ( 6.537 -0.000 2.241) 6.910 5.253 ( 3.036 -0.000 3.469) 4.610 5.462 ( 11.094 -0.000 2.827) 11.448 5.670 ( 0.263 -0.000 4.531) 4.538 5.756 ( -5.218 0.000 -0.589) 5.251 5.821 ( 1.040 -0.000 -0.750) 1.283 6.048 ( 2.798 -0.000 -1.166) 3.031 6.157 ( 0.064 -0.000 5.152) 5.152 6.175 ( 3.197 -0.000 -1.170) 3.404 6.340 ( -6.668 0.000 0.057) 6.669 6.572 ( 0.867 -0.000 3.491) 3.597 6.789 ( -0.055 0.000 -3.482) 3.482 6.956 ( -1.260 0.000 0.287) 1.292 7.063 ( 0.731 -0.000 -2.896) 2.987 7.261 ( 0.634 -0.000 2.083) 2.177 7.336 ( -12.513 0.000 0.412) 12.520 7.461 ( 3.599 -0.000 -0.932) 3.718 7.584 ( 8.950 -0.000 -2.480) 9.287 7.926 ( 8.519 -0.000 -0.149) 8.521 8.121 ( -14.292 0.000 1.692) 14.392 8.304 ( -12.378 0.000 -1.072) 12.425 8.332 ( -6.028 0.000 -0.123) 6.029 8.429 ( -3.850 0.000 1.136) 4.014 8.712 ( 6.485 -0.000 -1.151) 6.587 8.856 ( -1.412 0.000 -0.186) 1.425 9.083 ( -6.459 0.000 -4.069) 7.634 9.290 ( 9.842 -0.000 0.192) 9.844 9.459 ( 5.515 -0.000 -1.195) 5.643 9.714 ( 7.076 -0.000 2.036) 7.363 10.100 ( 4.145 -0.000 1.563) 4.430 10.216 ( -11.077 0.000 0.396) 11.084 10.476 ( -16.210 0.000 -0.022) 16.210 10.535 ( 1.606 -0.000 -1.275) 2.051 10.901 ( -3.536 0.000 5.457) 6.502 11.403 ( 3.261 -0.000 -7.129) 7.839 11.456 ( -9.912 0.000 1.824) 10.078 11.672 ( 4.141 -0.000 0.971) 4.254 11.835 ( 1.834 -0.000 -3.686) 4.117 11.982 ( -5.920 0.000 -9.971) 11.596 12.198 ( 0.358 -0.000 2.414) 2.440 12.265 ( -2.415 0.000 -3.721) 4.436 12.413 ( -1.720 0.000 -0.412) 1.768 12.709 ( 0.302 -0.000 -0.007) 0.302 12.866 ( 3.325 -0.000 3.574) 4.881 13.218 ( 5.512 -0.000 0.191) 5.515 13.365 ( 19.413 -0.000 -2.459) 19.568 13.379 ( 1.677 -0.000 0.564) 1.770 13.380 ( 18.097 -0.000 -0.844) 18.117 13.569 ( 1.145 -0.000 1.651) 2.009 13.957 ( -3.915 0.000 -1.777) 4.300 14.164 ( 3.397 -0.000 -3.577) 4.933 14.677 ( 11.930 -0.000 19.292) 22.683 14.958 ( 2.485 -0.000 -1.422) 2.863 16.987 ( -2.023 0.000 3.136) 3.732 17.534 ( 1.298 -0.000 -8.381) 8.481 17.738 ( 5.952 -0.000 -12.817) 14.132 17.939 ( 15.232 -0.000 12.602) 19.769 18.077 ( -3.176 0.000 -1.605) 3.558 18.215 ( -2.793 0.000 8.129) 8.595 18.595 ( -10.761 0.000 -0.645) 10.781 18.731 ( -12.613 0.000 0.514) 12.624 19.049 ( -2.564 0.000 0.177) 2.570 19.367 ( 4.753 -0.000 0.042) 4.754 19.723 ( 5.311 -0.000 -0.930) 5.392 19.814 ( 12.537 -0.000 -1.108) 12.586 20.140 ( -23.758 0.000 -4.035) 24.098 20.689 ( 4.743 -0.000 -0.237) 4.748 20.740 ( 4.870 -0.000 -0.054) 4.870 21.155 ( 2.498 -0.000 9.346) 9.674 21.385 ( -2.731 0.000 -0.042) 2.732 21.833 ( 2.271 -0.000 -1.923) 2.976 22.490 ( -1.806 0.000 0.283) 1.828 22.496 ( -4.134 0.000 0.040) 4.134 22.582 ( -0.132 0.000 -16.455) 16.455 23.476 ( -2.059 0.000 -1.153) 2.360 23.594 ( -4.954 0.000 -0.069) 4.955 24.338 ( 2.483 -0.000 5.544) 6.075 ======================= Grid point 124 (56/78) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 2.414 -6.036 -0.266) 6.506 1.059 ( 2.131 -12.568 0.378) 12.753 1.130 ( -16.819 -9.355 21.637) 28.958 1.405 ( -31.031 -4.868 2.346) 31.498 1.677 ( -3.194 -4.517 4.487) 7.123 1.858 ( -17.773 -9.166 2.502) 20.154 1.909 ( -1.175 -2.014 -0.764) 2.453 1.959 ( -8.994 -9.993 -0.502) 13.454 2.099 ( -4.960 -2.697 0.857) 5.710 2.153 ( -3.120 -1.859 0.120) 3.634 2.264 ( -3.269 -1.153 -0.117) 3.469 2.322 ( -1.537 2.768 -1.598) 3.547 2.442 ( -0.778 -7.195 1.701) 7.434 2.513 ( 10.205 -2.374 -7.632) 12.962 2.803 ( 5.319 6.986 -0.710) 8.809 2.845 ( 2.222 1.215 -1.196) 2.800 2.860 ( -1.569 -3.141 -0.430) 3.537 2.973 ( 4.922 7.394 -1.308) 8.978 3.205 ( -3.019 -10.045 1.302) 10.569 3.364 ( 1.522 3.308 -0.811) 3.731 3.419 ( 0.094 -6.469 -0.323) 6.478 3.523 ( 1.525 5.014 5.477) 7.580 3.657 ( -4.526 2.974 -8.055) 9.706 3.777 ( -5.041 -9.081 2.122) 10.601 4.088 ( 0.808 -8.048 -7.767) 11.214 4.254 ( -1.159 2.563 0.660) 2.889 4.299 ( -3.838 1.148 -1.189) 4.178 4.376 ( -3.853 -0.152 0.587) 3.901 4.545 ( 0.833 -0.285 -1.280) 1.554 4.598 ( -4.030 -1.769 -1.468) 4.640 4.725 ( 4.036 4.264 5.512) 8.053 4.928 ( 8.045 -1.980 5.898) 10.170 5.285 ( 1.833 0.412 2.109) 2.825 5.532 ( 5.059 6.902 3.964) 9.431 5.606 ( -1.356 4.830 -0.584) 5.050 5.634 ( 2.068 8.687 3.167) 9.475 5.821 ( -2.060 1.890 1.212) 3.047 5.984 ( 1.493 3.552 -0.094) 3.854 6.147 ( 0.969 0.535 -4.263) 4.404 6.310 ( 5.211 -3.229 4.131) 7.392 6.348 ( -1.519 -4.454 -0.369) 4.720 6.598 ( -3.884 1.511 3.569) 5.487 6.738 ( -4.734 4.595 -2.349) 7.003 6.882 ( 0.477 1.369 -2.578) 2.957 7.008 ( -5.272 0.729 0.205) 5.326 7.245 ( -7.574 -5.816 -2.289) 9.820 7.314 ( -3.409 -3.589 2.298) 5.458 7.544 ( 2.452 -4.984 -1.066) 5.656 7.688 ( 9.758 0.427 -2.253) 10.024 7.931 ( -2.316 1.816 1.903) 3.505 8.065 ( -2.674 -5.167 2.629) 6.384 8.219 ( -8.823 -0.508 0.390) 8.846 8.267 ( -3.784 1.629 -0.609) 4.164 8.406 ( -9.398 -4.924 1.146) 10.672 8.739 ( 4.500 4.164 -8.141) 10.191 8.889 ( 4.211 -3.233 2.525) 5.879 9.024 ( -3.766 -1.775 -0.496) 4.192 9.304 ( 11.724 7.532 0.376) 13.940 9.530 ( 3.994 -1.471 -1.015) 4.376 9.765 ( 2.301 2.266 2.007) 3.803 9.970 ( -6.307 11.894 3.139) 13.824 10.136 ( -3.960 3.119 -1.411) 5.235 10.231 ( -10.579 2.020 -1.378) 10.858 10.688 ( -0.645 -9.809 0.242) 9.833 10.893 ( -2.191 0.235 4.430) 4.947 11.324 ( -5.012 4.768 -6.519) 9.505 11.398 ( -2.488 -0.191 -1.892) 3.132 11.660 ( -11.216 6.172 -0.633) 12.818 11.710 ( 1.743 -0.384 -0.153) 1.791 11.934 ( 3.619 0.037 -1.248) 3.829 12.243 ( -0.406 -0.807 0.949) 1.310 12.339 ( -0.201 -3.732 -1.876) 4.182 12.565 ( 6.902 -16.099 -12.206) 21.350 12.697 ( 0.947 -0.091 -0.590) 1.120 12.949 ( 2.387 -4.156 2.971) 5.639 13.245 ( 5.906 3.705 -2.042) 7.265 13.367 ( 1.070 3.451 0.667) 3.674 13.457 ( 14.199 8.301 0.174) 16.448 13.533 ( 5.998 -0.725 0.759) 6.089 13.623 ( 9.533 -1.965 -1.365) 9.828 13.926 ( -3.522 -1.494 -1.409) 4.077 14.159 ( 6.639 4.105 -2.750) 8.276 14.779 ( 7.781 9.944 15.516) 20.004 14.892 ( 0.867 7.728 -0.979) 7.838 17.016 ( -1.499 -4.284 3.076) 5.483 17.473 ( 3.701 4.716 -5.830) 8.362 17.835 ( 5.830 -6.306 -10.840) 13.830 18.054 ( 9.726 6.001 7.169) 13.490 18.118 ( 0.815 -4.756 0.448) 4.846 18.259 ( 0.212 -3.263 7.315) 8.013 18.505 ( -8.594 -0.518 0.555) 8.627 18.572 ( -10.135 2.348 -0.448) 10.413 19.069 ( -2.537 -3.254 0.205) 4.131 19.407 ( 3.269 -0.274 0.347) 3.298 19.677 ( 3.559 6.818 -1.643) 7.865 19.935 ( -18.476 -5.640 -1.572) 19.382 19.995 ( 8.329 -3.933 -0.486) 9.224 20.608 ( 3.381 14.911 -1.875) 15.404 20.659 ( 4.712 7.416 -0.166) 8.788 21.218 ( 1.164 0.058 10.247) 10.313 21.490 ( -2.719 -13.465 -0.511) 13.747 21.884 ( -1.186 -5.702 -12.727) 13.996 22.442 ( -1.417 1.897 -0.462) 2.412 22.494 ( -0.052 -1.002 1.306) 1.647 22.551 ( -4.907 -4.998 -12.202) 14.070 23.455 ( -2.377 -0.367 0.214) 2.415 23.549 ( -3.439 -0.090 0.973) 3.575 24.372 ( 2.902 1.951 6.590) 7.460 ======================= Grid point 132 (57/78) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -12.846 0.000 7.662) 14.957 0.938 ( -0.423 0.000 -0.639) 0.766 0.959 ( -24.575 0.000 22.944) 33.621 1.179 ( -16.228 0.000 11.418) 19.842 1.223 ( -38.898 0.000 23.588) 45.491 1.660 ( -6.645 0.000 3.338) 7.436 1.730 ( -8.571 0.000 -7.942) 11.685 1.900 ( -2.413 0.000 -2.722) 3.637 2.027 ( -13.839 0.000 -3.249) 14.216 2.062 ( -5.611 0.000 -0.023) 5.611 2.238 ( 2.527 -0.000 0.236) 2.538 2.264 ( -10.730 0.000 2.420) 11.000 2.359 ( -1.214 0.000 1.175) 1.689 2.590 ( 10.222 -0.000 -6.015) 11.860 2.876 ( 4.765 -0.000 -2.209) 5.252 2.893 ( 1.892 -0.000 -3.917) 4.350 2.935 ( 12.388 -0.000 2.810) 12.703 3.118 ( 1.759 -0.000 -1.280) 2.175 3.156 ( 8.529 -0.000 -6.462) 10.701 3.361 ( 3.262 -0.000 8.903) 9.482 3.422 ( 2.324 -0.000 -1.488) 2.760 3.507 ( -8.914 0.000 0.230) 8.917 3.662 ( -4.422 0.000 6.740) 8.062 3.738 ( 4.726 -0.000 -14.621) 15.366 3.961 ( 3.762 -0.000 -7.254) 8.171 4.209 ( -6.425 0.000 -3.113) 7.139 4.307 ( -7.989 0.000 3.894) 8.887 4.347 ( 4.944 -0.000 -1.311) 5.115 4.523 ( -6.752 0.000 0.657) 6.784 4.549 ( 1.889 -0.000 1.000) 2.137 4.814 ( 3.331 -0.000 2.459) 4.140 5.085 ( 16.694 -0.000 10.743) 19.852 5.319 ( -0.279 0.000 2.552) 2.567 5.640 ( 0.825 -0.000 4.682) 4.754 5.675 ( 7.389 -0.000 2.234) 7.719 5.721 ( -0.355 0.000 3.619) 3.637 5.832 ( 3.089 -0.000 0.404) 3.115 6.135 ( 0.507 -0.000 -4.627) 4.655 6.192 ( 2.052 -0.000 2.869) 3.527 6.193 ( 1.011 -0.000 3.532) 3.674 6.314 ( 4.160 -0.000 2.859) 5.048 6.632 ( 3.329 -0.000 2.953) 4.450 6.772 ( 1.292 -0.000 -4.240) 4.432 6.830 ( -15.773 0.000 3.203) 16.095 6.978 ( -7.028 0.000 -6.576) 9.625 7.093 ( -3.753 0.000 -2.471) 4.493 7.248 ( -4.133 0.000 2.369) 4.764 7.510 ( 1.820 -0.000 -2.265) 2.906 7.823 ( 11.734 -0.000 1.142) 11.790 7.861 ( -10.751 0.000 3.574) 11.330 8.090 ( -7.451 0.000 -1.127) 7.536 8.095 ( 7.323 -0.000 -0.082) 7.324 8.241 ( -3.032 0.000 -0.485) 3.070 8.259 ( -12.700 0.000 -3.362) 13.137 8.722 ( -6.191 0.000 -16.206) 17.348 8.965 ( 10.849 -0.000 6.573) 12.685 9.015 ( 3.851 -0.000 2.875) 4.806 9.498 ( 10.876 -0.000 0.130) 10.877 9.546 ( 3.518 -0.000 -0.384) 3.538 9.831 ( 2.264 -0.000 3.092) 3.832 9.979 ( -12.565 0.000 0.443) 12.573 10.070 ( -10.819 0.000 0.460) 10.829 10.251 ( -2.762 0.000 -2.983) 4.065 10.563 ( 1.875 -0.000 -1.640) 2.491 10.871 ( -2.019 0.000 4.583) 5.008 11.306 ( -10.098 0.000 -25.262) 27.206 11.315 ( -5.706 0.000 2.830) 6.369 11.628 ( -10.207 0.000 -5.012) 11.371 11.730 ( 1.153 -0.000 -0.088) 1.157 11.969 ( 3.361 -0.000 -1.755) 3.792 12.186 ( -0.992 0.000 -3.007) 3.167 12.245 ( 0.763 -0.000 1.239) 1.455 12.377 ( -1.461 0.000 -1.026) 1.786 12.697 ( -1.000 0.000 0.218) 1.024 12.934 ( 1.238 -0.000 3.436) 3.652 13.338 ( 6.208 -0.000 -0.378) 6.220 13.421 ( 1.471 -0.000 1.373) 2.012 13.590 ( -0.109 0.000 1.699) 1.703 13.667 ( 11.422 -0.000 -2.864) 11.775 13.690 ( 12.329 -0.000 -0.589) 12.343 13.855 ( -4.710 0.000 -2.554) 5.358 14.247 ( 6.169 -0.000 -1.215) 6.288 14.976 ( 1.577 -0.000 -0.865) 1.799 15.091 ( 12.123 -0.000 5.588) 13.349 16.969 ( -1.813 0.000 3.615) 4.044 17.509 ( 1.646 -0.000 -7.759) 7.931 17.883 ( 18.766 -0.000 -0.462) 18.772 18.007 ( -2.193 0.000 -1.967) 2.946 18.214 ( -2.614 0.000 7.698) 8.130 18.358 ( 12.269 -0.000 9.864) 15.742 18.417 ( -6.177 0.000 -0.528) 6.199 18.560 ( 1.997 -0.000 8.237) 8.476 19.012 ( -1.091 0.000 -0.227) 1.114 19.435 ( 2.146 -0.000 0.186) 2.154 19.591 ( -26.634 0.000 -0.131) 26.634 19.799 ( 2.802 -0.000 -0.851) 2.928 20.033 ( 7.360 -0.000 -1.087) 7.440 20.771 ( 3.247 -0.000 -0.256) 3.258 20.834 ( 3.973 -0.000 -0.047) 3.973 21.145 ( -8.100 0.000 -1.092) 8.173 21.360 ( -1.404 0.000 -2.447) 2.821 21.563 ( -29.111 0.000 -41.429) 50.634 22.417 ( -3.347 0.000 0.207) 3.354 22.460 ( -1.263 0.000 0.125) 1.269 22.528 ( 8.944 -0.000 8.392) 12.265 23.429 ( -2.104 0.000 0.634) 2.197 23.517 ( -3.018 0.000 0.620) 3.081 24.473 ( 6.878 -0.000 8.281) 10.765 ======================= Grid point 133 (58/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.000 0.000 0.000) 0.000 0.899 ( 0.000 -0.000 -0.000) 0.000 1.052 ( 0.000 -0.000 0.000) 0.000 1.133 ( -0.000 0.000 -0.000) 0.000 1.307 ( -0.000 0.000 0.000) 0.000 1.353 ( 0.000 -0.000 -0.000) 0.000 1.778 ( -0.000 0.000 0.000) 0.000 1.867 ( 0.000 -0.000 0.000) 0.000 2.100 ( 0.000 -0.000 0.000) 0.000 2.110 ( -0.000 0.000 0.000) 0.000 2.298 ( -0.000 0.000 0.000) 0.000 2.309 ( 0.000 -0.000 0.000) 0.000 2.311 ( -0.000 0.000 -0.000) 0.000 2.330 ( -0.000 0.000 0.000) 0.000 2.787 ( 0.000 -0.000 0.000) 0.000 2.823 ( -0.000 0.000 0.000) 0.000 3.040 ( 0.000 -0.000 0.000) 0.000 3.127 ( -0.000 0.000 0.000) 0.000 3.291 ( -0.000 0.000 -0.000) 0.000 3.329 ( -0.000 0.000 0.000) 0.000 3.339 ( -0.000 0.000 0.000) 0.000 3.488 ( 0.000 -0.000 0.000) 0.000 3.694 ( -0.000 0.000 0.000) 0.000 3.847 ( 0.000 -0.000 0.000) 0.000 3.859 ( -0.000 0.000 -0.000) 0.000 3.971 ( 0.000 -0.000 0.000) 0.000 4.287 ( 0.000 -0.000 0.000) 0.000 4.342 ( -0.000 0.000 0.000) 0.000 4.410 ( 0.000 -0.000 0.000) 0.000 4.721 ( 0.000 -0.000 -0.000) 0.000 4.817 ( 0.000 -0.000 0.000) 0.000 5.225 ( -0.000 0.000 0.000) 0.000 5.377 ( 0.000 -0.000 0.000) 0.000 5.661 ( 0.000 -0.000 0.000) 0.000 5.752 ( -0.000 0.000 0.000) 0.000 5.990 ( 0.000 -0.000 0.000) 0.000 6.018 ( -0.000 0.000 -0.000) 0.000 6.062 ( 0.000 -0.000 0.000) 0.000 6.272 ( -0.000 0.000 0.000) 0.000 6.298 ( -0.000 0.000 0.000) 0.000 6.489 ( -0.000 0.000 0.000) 0.000 6.556 ( 0.000 -0.000 0.000) 0.000 6.701 ( 0.000 -0.000 0.000) 0.000 6.737 ( 0.000 -0.000 0.000) 0.000 6.781 ( -0.000 0.000 0.000) 0.000 7.034 ( -0.000 0.000 0.000) 0.000 7.211 ( -0.000 0.000 0.000) 0.000 7.464 ( -0.000 0.000 0.000) 0.000 7.870 ( -0.000 0.000 -0.000) 0.000 7.905 ( -0.000 0.000 0.000) 0.000 7.959 ( 0.000 -0.000 0.000) 0.000 7.985 ( 0.000 -0.000 0.000) 0.000 8.182 ( 0.000 -0.000 0.000) 0.000 8.215 ( -0.000 0.000 0.000) 0.000 8.420 ( 0.000 -0.000 0.000) 0.000 9.114 ( -0.000 0.000 0.000) 0.000 9.246 ( 0.000 -0.000 0.000) 0.000 9.629 ( 0.000 -0.000 0.000) 0.000 9.666 ( 0.000 -0.000 0.000) 0.000 9.797 ( -0.000 0.000 0.000) 0.000 9.881 ( -0.000 0.000 0.000) 0.000 9.939 ( 0.000 -0.000 -0.000) 0.000 10.011 ( 0.000 -0.000 0.000) 0.000 10.554 ( -0.000 0.000 0.000) 0.000 10.841 ( 0.000 -0.000 0.000) 0.000 10.927 ( -0.000 0.000 0.000) 0.000 11.307 ( -0.000 0.000 0.000) 0.000 11.592 ( -0.000 0.000 0.000) 0.000 11.725 ( -0.000 0.000 0.000) 0.000 11.979 ( -0.000 0.000 0.000) 0.000 12.115 ( 0.000 -0.000 0.000) 0.000 12.284 ( -0.000 0.000 0.000) 0.000 12.344 ( 0.000 -0.000 0.000) 0.000 12.683 ( 0.000 -0.000 0.000) 0.000 13.008 ( -0.000 0.000 0.000) 0.000 13.385 ( -0.000 0.000 0.000) 0.000 13.469 ( 0.000 -0.000 0.000) 0.000 13.609 ( -0.000 0.000 0.000) 0.000 13.727 ( -0.000 0.000 0.000) 0.000 13.754 ( 0.000 -0.000 0.000) 0.000 13.811 ( 0.000 -0.000 0.000) 0.000 14.453 ( -0.000 0.000 0.000) 0.000 14.685 ( -0.000 0.000 0.000) 0.000 15.040 ( -0.000 0.000 0.000) 0.000 17.031 ( 0.000 -0.000 0.000) 0.000 17.391 ( -0.000 0.000 0.000) 0.000 17.956 ( 0.000 -0.000 0.000) 0.000 18.159 ( -0.000 0.000 0.000) 0.000 18.293 ( 0.000 -0.000 0.000) 0.000 18.349 ( -0.000 0.000 0.000) 0.000 18.600 ( 0.000 -0.000 0.000) 0.000 18.997 ( 0.000 -0.000 0.000) 0.000 19.058 ( 0.000 -0.000 0.000) 0.000 19.391 ( -0.000 0.000 0.000) 0.000 19.463 ( 0.000 -0.000 0.000) 0.000 19.811 ( 0.000 -0.000 0.000) 0.000 20.048 ( 0.000 -0.000 0.000) 0.000 20.128 ( -0.000 0.000 -0.000) 0.000 20.801 ( 0.000 -0.000 0.000) 0.000 20.876 ( -0.000 0.000 0.000) 0.000 21.244 ( 0.000 -0.000 0.000) 0.000 21.383 ( 0.000 -0.000 0.000) 0.000 22.385 ( -0.000 0.000 0.000) 0.000 22.448 ( -0.000 0.000 0.000) 0.000 22.872 ( 0.000 -0.000 0.000) 0.000 23.445 ( 0.000 -0.000 0.000) 0.000 23.458 ( -0.000 0.000 -0.000) 0.000 24.627 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 135 (59/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.572 -4.853 0.487) 4.911 1.068 ( 0.786 -14.639 -0.687) 14.676 1.164 ( 4.511 -15.090 -15.436) 22.053 1.441 ( 15.421 -10.765 11.915) 22.263 1.616 ( 5.416 -15.247 -10.268) 19.163 1.658 ( 4.961 -18.709 10.507) 22.023 1.845 ( 2.613 -14.047 -2.941) 14.587 1.901 ( 5.935 -5.170 -0.571) 7.892 2.067 ( -2.264 -3.339 -4.981) 6.410 2.159 ( 0.883 0.324 6.526) 6.594 2.253 ( 3.526 2.137 -11.989) 12.679 2.269 ( 0.462 0.213 -5.252) 5.277 2.347 ( 0.019 -1.749 3.539) 3.948 2.416 ( 3.144 -7.040 5.879) 9.696 2.765 ( -4.181 4.826 2.528) 6.867 2.817 ( 0.360 -0.916 2.036) 2.262 2.925 ( 0.406 6.558 0.844) 6.624 3.094 ( -6.974 0.601 -0.236) 7.004 3.203 ( 0.131 9.774 4.047) 10.580 3.254 ( -2.481 0.232 -6.734) 7.180 3.353 ( 1.264 1.540 3.175) 3.749 3.504 ( 0.029 -1.336 1.133) 1.751 3.728 ( -2.899 -5.824 2.266) 6.888 3.848 ( -1.151 -8.428 -3.757) 9.299 3.955 ( 0.254 0.922 -2.966) 3.117 4.081 ( 6.416 -7.406 3.788) 10.505 4.279 ( 4.956 3.772 -2.291) 6.636 4.345 ( -2.897 -2.692 1.966) 4.417 4.408 ( 3.943 2.864 2.504) 5.479 4.696 ( -7.979 -2.682 -2.693) 8.838 4.803 ( 0.201 2.625 1.686) 3.126 5.209 ( 1.186 2.699 0.672) 3.023 5.317 ( -0.126 6.112 -2.928) 6.778 5.565 ( -2.374 13.124 1.339) 13.404 5.672 ( 0.847 -0.202 -0.262) 0.909 5.836 ( -7.334 7.668 -1.566) 10.726 5.960 ( -6.184 10.176 -2.996) 12.279 6.038 ( -1.898 11.903 1.188) 12.111 6.106 ( -2.208 -4.687 -0.099) 5.182 6.329 ( -4.188 -3.052 1.826) 5.494 6.448 ( 1.260 7.398 -1.333) 7.622 6.521 ( 9.246 7.929 -0.117) 12.181 6.715 ( -3.002 -0.072 -0.310) 3.019 6.770 ( -1.005 -5.723 3.150) 6.609 6.848 ( 9.123 -8.690 -3.113) 12.978 7.099 ( 1.215 -5.930 0.849) 6.113 7.272 ( 6.326 -3.065 -0.060) 7.029 7.529 ( -1.323 -3.345 0.194) 3.602 7.811 ( -5.547 3.529 0.193) 6.577 7.953 ( 4.563 -3.669 -0.927) 5.928 8.010 ( 8.353 -0.911 -3.285) 9.022 8.021 ( 2.857 -2.956 5.053) 6.514 8.222 ( -3.474 -8.043 -1.025) 8.821 8.354 ( 4.142 -3.624 -0.251) 5.509 8.619 ( -2.448 -17.150 0.906) 17.347 9.038 ( -0.945 14.386 -1.549) 14.500 9.096 ( -6.942 -0.869 -0.249) 7.000 9.543 ( -7.791 4.688 -0.925) 9.140 9.597 ( -3.827 2.537 -0.785) 4.658 9.750 ( 5.284 7.850 1.621) 9.600 9.815 ( 9.785 9.367 2.086) 13.705 9.990 ( 6.430 -1.621 -2.484) 7.081 10.091 ( 0.041 -5.398 1.340) 5.562 10.671 ( -0.028 -6.996 0.931) 7.058 10.855 ( -2.050 -1.361 4.736) 5.338 11.021 ( 8.083 -5.727 -3.780) 10.603 11.347 ( 1.484 -2.664 0.176) 3.055 11.584 ( 1.597 1.868 -0.154) 2.462 11.689 ( -0.717 3.380 0.875) 3.564 11.977 ( -1.240 -0.806 -0.315) 1.512 12.198 ( -0.010 -2.652 0.892) 2.798 12.362 ( 0.067 -4.528 -2.227) 5.047 12.399 ( 0.308 -13.551 1.919) 13.689 12.684 ( 0.505 0.277 0.030) 0.576 13.044 ( -0.941 -4.162 -0.283) 4.277 13.282 ( -3.218 8.341 1.010) 8.997 13.433 ( -0.173 3.927 -1.604) 4.245 13.569 ( -0.044 3.852 0.435) 3.876 13.671 ( -5.257 7.210 0.179) 8.925 13.768 ( -5.482 -5.381 -0.002) 7.681 13.813 ( 1.267 -0.885 0.819) 1.749 14.313 ( -9.752 6.324 -0.519) 11.635 14.692 ( 5.013 6.588 6.447) 10.492 14.957 ( 1.520 9.355 0.161) 9.479 17.083 ( 0.217 -5.085 -0.526) 5.117 17.415 ( 0.248 -1.526 0.155) 1.554 17.991 ( -8.958 4.211 -0.715) 9.924 18.032 ( -5.355 -2.587 -0.284) 5.954 18.235 ( 6.253 6.051 -0.301) 8.707 18.352 ( -0.985 3.552 2.418) 4.409 18.496 ( -5.549 10.817 4.760) 13.056 18.596 ( 0.205 10.133 -8.218) 13.048 19.040 ( -1.481 -0.668 0.642) 1.747 19.479 ( -4.424 -3.315 0.927) 5.605 19.674 ( 6.179 -3.784 -6.743) 9.898 19.744 ( 9.451 -3.543 0.734) 10.120 20.104 ( -3.923 -0.674 0.011) 3.981 20.454 ( 6.139 -7.396 5.773) 11.213 20.726 ( -1.848 6.468 -0.034) 6.727 20.975 ( 6.180 -9.944 5.451) 12.915 21.342 ( 4.190 -12.671 -1.494) 13.429 21.504 ( 0.783 -12.048 -0.028) 12.074 22.409 ( 1.468 -1.600 0.131) 2.175 22.452 ( 0.747 -0.125 -0.222) 0.789 22.781 ( -6.452 4.618 -3.861) 8.824 23.449 ( 0.712 -0.663 -1.433) 1.732 23.485 ( 3.061 -0.494 1.180) 3.318 24.562 ( -2.629 5.026 -0.609) 5.705 ======================= Grid point 136 (60/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.459 -5.607 0.489) 5.646 1.288 ( -2.699 -10.265 0.767) 10.642 1.398 ( 1.991 -8.442 -7.712) 11.607 1.606 ( 0.028 -2.136 -5.314) 5.727 1.739 ( 1.902 -2.077 0.269) 2.829 1.848 ( 2.973 4.093 -1.410) 5.251 1.912 ( 1.270 0.395 4.451) 4.645 2.017 ( -0.982 3.773 -12.135) 12.746 2.079 ( -8.140 5.024 6.736) 11.699 2.186 ( 2.062 -1.501 1.858) 3.155 2.238 ( -0.932 -5.199 0.140) 5.283 2.366 ( -4.911 -3.227 1.659) 6.106 2.552 ( 6.761 -8.616 -1.443) 11.047 2.618 ( -0.477 0.633 0.937) 1.227 2.731 ( 15.671 -4.690 -1.282) 16.408 2.844 ( -2.244 3.202 -0.214) 3.916 2.938 ( 3.496 -17.046 -3.885) 17.829 3.062 ( 3.308 -8.361 0.678) 9.017 3.149 ( 1.763 -0.168 7.826) 8.024 3.343 ( 2.984 -11.834 -2.506) 12.459 3.417 ( 1.885 -8.014 3.407) 8.910 3.523 ( 2.030 -2.332 -3.973) 5.035 3.740 ( -7.248 -2.754 1.173) 7.842 3.926 ( -0.685 -1.048 -4.530) 4.700 4.070 ( 5.835 -8.073 5.263) 11.266 4.143 ( 2.542 5.780 3.418) 7.180 4.230 ( 2.279 4.418 -3.507) 6.084 4.400 ( 4.422 2.274 2.154) 5.419 4.427 ( -3.942 -5.757 2.446) 7.393 4.655 ( -4.719 -2.161 0.152) 5.193 4.746 ( -3.188 1.827 0.367) 3.693 5.142 ( -4.115 2.745 -3.597) 6.116 5.221 ( 5.070 5.069 0.361) 7.179 5.406 ( 2.924 7.763 2.355) 8.624 5.533 ( -5.733 10.440 -4.464) 12.720 5.637 ( -5.445 9.721 -2.103) 11.339 5.800 ( 1.743 -2.982 -0.070) 3.455 5.950 ( -3.962 1.198 -0.215) 4.145 6.145 ( -2.993 -1.002 0.306) 3.171 6.268 ( 4.753 10.685 -0.126) 11.695 6.358 ( 2.115 1.862 3.324) 4.358 6.490 ( 7.100 3.351 -0.390) 7.861 6.622 ( -4.304 3.585 -2.035) 5.960 6.971 ( 0.487 -10.125 -1.330) 10.224 7.050 ( 2.755 -9.721 -0.435) 10.114 7.240 ( 3.570 -4.582 4.627) 7.426 7.408 ( 3.135 -6.705 -3.653) 8.254 7.571 ( -0.311 -2.635 2.680) 3.772 7.732 ( -4.935 -0.984 -0.453) 5.052 8.016 ( 1.260 -1.435 -4.294) 4.700 8.054 ( 5.572 2.465 1.452) 6.263 8.159 ( 3.143 -5.778 3.090) 7.267 8.270 ( -1.745 2.135 0.836) 2.881 8.473 ( 7.554 -6.037 -1.289) 9.755 8.714 ( -4.768 -0.566 -5.593) 7.372 8.957 ( 4.477 -2.128 3.117) 5.856 9.051 ( -8.744 -2.803 0.307) 9.188 9.361 ( -9.045 4.894 -3.325) 10.808 9.544 ( 2.783 2.361 -0.511) 3.685 9.707 ( 3.813 4.538 2.457) 6.417 9.761 ( 3.468 3.422 1.332) 5.051 10.049 ( 2.761 0.123 -0.891) 2.903 10.142 ( 1.512 0.642 -0.419) 1.695 10.745 ( 3.560 2.661 2.425) 5.063 10.900 ( -1.379 -6.698 0.853) 6.891 11.180 ( 7.943 -3.829 -1.923) 9.025 11.371 ( 0.111 1.883 0.341) 1.917 11.558 ( 2.478 3.676 0.042) 4.433 11.632 ( 0.472 2.738 2.378) 3.658 11.995 ( -2.151 -3.937 -0.291) 4.495 12.217 ( 1.551 -0.044 1.317) 2.035 12.436 ( 0.448 -4.981 -1.376) 5.187 12.588 ( -1.619 -1.003 0.847) 2.084 12.715 ( -1.162 -5.567 -0.974) 5.770 13.061 ( -2.630 7.600 -2.388) 8.389 13.133 ( -1.504 -0.858 2.650) 3.166 13.328 ( -3.449 7.203 -0.894) 8.036 13.404 ( -5.846 7.160 -0.347) 9.250 13.554 ( -1.166 2.569 -0.543) 2.873 13.772 ( -8.212 -3.785 -0.717) 9.071 13.851 ( 0.581 -0.429 2.896) 2.985 14.122 ( -8.420 4.257 2.675) 9.807 14.579 ( -0.418 9.980 2.659) 10.336 14.818 ( 4.425 8.578 -0.431) 9.662 17.159 ( -0.208 -3.101 -1.283) 3.362 17.385 ( -1.556 4.712 -1.957) 5.334 17.821 ( -10.593 -4.201 4.667) 12.315 18.064 ( -2.067 8.998 -0.675) 9.257 18.186 ( 3.139 -5.847 1.039) 6.717 18.305 ( 7.746 -4.462 1.815) 9.121 18.483 ( -1.809 3.950 -2.617) 5.072 18.540 ( 5.087 -2.553 -1.642) 5.924 19.056 ( 1.957 -0.610 0.798) 2.200 19.472 ( -6.271 -2.510 0.481) 6.772 19.590 ( -3.105 6.204 -0.569) 6.961 19.984 ( 8.255 -3.882 -1.192) 9.200 20.069 ( 0.775 0.471 -4.217) 4.314 20.397 ( -5.716 7.572 1.513) 9.607 20.580 ( -4.380 6.184 -0.540) 7.597 21.140 ( 8.760 2.812 9.258) 13.052 21.732 ( 3.581 -17.807 2.563) 18.344 21.751 ( 2.001 -15.441 -1.152) 15.613 22.418 ( -0.910 2.015 -0.005) 2.211 22.491 ( 1.486 -2.596 -2.387) 3.827 22.635 ( -3.941 2.214 -2.407) 5.121 23.469 ( 1.345 -0.813 -1.218) 1.989 23.534 ( 3.237 -0.869 1.145) 3.541 24.439 ( -2.528 5.004 -0.883) 5.675 ======================= Grid point 137 (61/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -1.005 -3.844 0.286) 3.984 1.355 ( -4.016 -2.439 -0.600) 4.737 1.433 ( 0.590 2.657 -3.424) 4.374 1.592 ( -3.343 0.895 -2.841) 4.478 1.635 ( -6.763 6.519 -0.515) 9.407 1.748 ( 0.427 6.692 7.626) 10.155 1.876 ( -1.205 4.980 -11.446) 12.540 1.925 ( 2.715 1.590 2.128) 3.798 1.982 ( -3.218 -0.485 -2.555) 4.138 2.199 ( 0.704 -0.259 0.524) 0.915 2.314 ( -3.012 -4.611 1.448) 5.695 2.406 ( -4.227 -5.332 2.815) 7.364 2.504 ( 0.069 3.826 2.507) 4.575 2.652 ( 3.495 5.191 -4.501) 7.709 2.781 ( 0.766 0.961 -0.225) 1.250 2.863 ( 4.353 -2.760 -1.007) 5.252 3.091 ( 0.792 0.854 4.798) 4.937 3.327 ( 4.123 -12.535 2.209) 13.379 3.421 ( -0.346 -5.668 -11.523) 12.846 3.499 ( 3.615 -16.687 5.312) 17.881 3.644 ( 5.037 -10.987 -0.258) 12.089 3.681 ( -3.270 -1.063 0.384) 3.460 3.833 ( 8.542 -14.047 -2.043) 16.567 3.974 ( -0.609 1.845 -0.842) 2.117 3.983 ( 7.846 4.935 1.799) 9.442 4.177 ( 1.636 4.562 -0.174) 4.849 4.243 ( -1.313 -5.304 5.113) 7.483 4.362 ( -2.734 2.289 1.318) 3.802 4.507 ( 3.577 -3.004 4.202) 6.282 4.679 ( -2.566 1.773 -1.780) 3.591 4.710 ( -1.455 -5.230 -1.259) 5.572 5.059 ( -1.526 2.006 -2.207) 3.350 5.199 ( -0.119 4.300 3.724) 5.690 5.279 ( -2.597 5.821 0.348) 6.383 5.369 ( -0.671 4.263 -3.817) 5.761 5.433 ( -1.101 7.464 -2.487) 7.944 5.886 ( -3.608 -1.080 -0.300) 3.778 5.928 ( -1.370 -7.512 -0.227) 7.639 6.066 ( 2.037 5.668 0.549) 6.048 6.222 ( 4.986 3.392 -0.099) 6.031 6.371 ( 2.395 0.570 3.091) 3.952 6.514 ( -3.010 3.742 -2.479) 5.405 6.541 ( 5.449 -0.953 -0.535) 5.558 7.059 ( -1.360 -3.328 0.610) 3.646 7.197 ( 3.101 -1.730 -0.823) 3.645 7.328 ( -2.193 -2.410 2.486) 4.099 7.535 ( -1.312 -8.625 -5.292) 10.204 7.627 ( -0.069 -5.016 1.110) 5.138 7.755 ( 1.913 -1.337 3.755) 4.421 7.911 ( -1.659 5.910 0.651) 6.173 8.175 ( 1.565 4.449 -3.011) 5.595 8.215 ( 4.376 -6.340 2.282) 8.034 8.284 ( 2.340 -4.009 2.044) 5.072 8.531 ( 2.081 4.814 -2.956) 6.020 8.740 ( -0.124 -5.944 -1.538) 6.141 8.953 ( -2.610 3.651 -1.449) 4.716 9.044 ( -6.012 -2.431 1.919) 6.763 9.260 ( -0.869 -2.666 -3.928) 4.827 9.527 ( 1.748 4.988 2.987) 6.071 9.621 ( 2.144 6.662 0.421) 7.011 9.870 ( -0.215 -10.618 -0.216) 10.622 10.054 ( 1.076 1.875 2.805) 3.541 10.139 ( 2.038 -2.590 -3.051) 4.491 10.637 ( 0.335 12.539 1.521) 12.636 11.057 ( 2.591 -9.061 -0.216) 9.427 11.272 ( 4.205 1.960 -2.832) 5.436 11.335 ( -0.448 -1.287 0.720) 1.541 11.497 ( 2.120 6.161 0.334) 6.524 11.632 ( 1.784 -0.122 2.432) 3.019 12.085 ( -1.637 -9.247 0.225) 9.393 12.260 ( 4.186 -0.884 1.866) 4.667 12.470 ( -0.997 3.898 -1.204) 4.200 12.553 ( -0.142 -1.458 0.711) 1.628 12.706 ( -1.266 4.693 -3.075) 5.752 12.788 ( -9.129 13.051 0.325) 15.930 13.165 ( -1.441 0.084 1.357) 1.981 13.225 ( -3.039 -3.753 -0.249) 4.835 13.307 ( 0.400 2.805 -1.864) 3.391 13.474 ( -1.478 5.429 -1.341) 5.784 13.746 ( -3.367 0.610 1.798) 3.866 13.840 ( -5.645 -2.340 0.424) 6.125 14.056 ( -2.930 -1.223 3.036) 4.393 14.414 ( -0.241 7.927 0.382) 7.939 14.757 ( 2.938 3.313 -0.300) 4.438 17.179 ( -0.274 -0.508 0.056) 0.580 17.269 ( -1.610 4.580 -2.293) 5.369 17.866 ( -3.822 -3.820 2.788) 6.081 17.998 ( -0.703 -3.506 3.253) 4.834 18.283 ( 1.000 1.579 -3.533) 3.997 18.436 ( 3.238 -1.300 2.190) 4.120 18.501 ( 4.238 -7.756 0.817) 8.876 18.600 ( 3.006 -1.321 -2.041) 3.866 19.098 ( 4.101 -0.037 -0.245) 4.109 19.428 ( -5.942 5.640 -0.966) 8.249 19.458 ( -3.862 -1.558 0.728) 4.228 19.948 ( -3.415 4.968 0.937) 6.101 20.162 ( 8.029 -2.311 -2.335) 8.675 20.227 ( -2.039 5.340 0.152) 5.718 20.431 ( -6.963 3.985 -2.100) 8.293 21.175 ( 4.995 3.150 5.613) 8.147 21.923 ( -0.538 -6.212 2.482) 6.711 22.036 ( 2.911 -11.441 -1.739) 11.933 22.338 ( -2.371 4.065 -1.317) 4.886 22.481 ( -2.075 0.615 -2.849) 3.578 22.664 ( 2.618 -2.837 1.776) 4.250 23.490 ( 0.951 -0.516 -0.681) 1.279 23.579 ( 2.045 -0.722 0.770) 2.302 24.351 ( -1.314 2.606 -0.526) 2.965 ======================= Grid point 138 (62/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.364 ( -0.000 0.000 -0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.552 ( -0.000 -0.000 0.000) 0.000 1.719 ( -0.000 0.000 0.000) 0.000 1.793 ( -0.000 0.000 -0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.970 ( -0.000 0.000 -0.000) 0.000 2.209 ( -0.000 -0.000 0.000) 0.000 2.357 ( -0.000 0.000 0.000) 0.000 2.408 ( -0.000 0.000 0.000) 0.000 2.519 ( -0.000 -0.000 0.000) 0.000 2.577 ( 0.000 0.000 -0.000) 0.000 2.780 ( -0.000 0.000 0.000) 0.000 2.919 ( -0.000 0.000 0.000) 0.000 3.081 ( -0.000 0.000 0.000) 0.000 3.430 ( -0.000 0.000 0.000) 0.000 3.505 ( -0.000 0.000 0.000) 0.000 3.616 ( -0.000 -0.000 0.000) 0.000 3.710 ( 0.000 0.000 -0.000) 0.000 3.798 ( -0.000 0.000 0.000) 0.000 3.860 ( -0.000 -0.000 -0.000) 0.000 4.029 ( -0.000 0.000 0.000) 0.000 4.093 ( -0.000 -0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.296 ( -0.000 -0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.591 ( -0.000 0.000 -0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.760 ( -0.000 0.000 0.000) 0.000 5.037 ( -0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.242 ( -0.000 0.000 0.000) 0.000 5.300 ( -0.000 0.000 0.000) 0.000 5.374 ( -0.000 -0.000 0.000) 0.000 5.869 ( -0.000 0.000 0.000) 0.000 5.997 ( -0.000 0.000 0.000) 0.000 6.055 ( -0.000 -0.000 0.000) 0.000 6.204 ( -0.000 0.000 0.000) 0.000 6.397 ( -0.000 0.000 0.000) 0.000 6.444 ( -0.000 0.000 0.000) 0.000 6.583 ( -0.000 0.000 0.000) 0.000 7.081 ( -0.000 0.000 0.000) 0.000 7.224 ( -0.000 0.000 0.000) 0.000 7.316 ( -0.000 -0.000 0.000) 0.000 7.586 ( -0.000 0.000 0.000) 0.000 7.736 ( -0.000 0.000 0.000) 0.000 7.754 ( -0.000 -0.000 -0.000) 0.000 7.863 ( -0.000 0.000 0.000) 0.000 8.121 ( -0.000 0.000 0.000) 0.000 8.314 ( -0.000 0.000 0.000) 0.000 8.351 ( -0.000 0.000 0.000) 0.000 8.465 ( -0.000 0.000 0.000) 0.000 8.791 ( -0.000 0.000 0.000) 0.000 8.877 ( 0.000 -0.000 0.000) 0.000 9.044 ( -0.000 0.000 0.000) 0.000 9.319 ( -0.000 0.000 -0.000) 0.000 9.444 ( -0.000 0.000 0.000) 0.000 9.586 ( -0.000 0.000 0.000) 0.000 9.981 ( -0.000 0.000 0.000) 0.000 10.008 ( -0.000 0.000 0.000) 0.000 10.338 ( -0.000 0.000 0.000) 0.000 10.383 ( -0.000 -0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.247 ( -0.000 0.000 0.000) 0.000 11.350 ( -0.000 0.000 0.000) 0.000 11.440 ( -0.000 0.000 0.000) 0.000 11.655 ( -0.000 0.000 0.000) 0.000 12.239 ( -0.000 -0.000 0.000) 0.000 12.278 ( -0.000 0.000 -0.000) 0.000 12.425 ( -0.000 0.000 0.000) 0.000 12.498 ( -0.000 0.000 0.000) 0.000 12.584 ( -0.000 0.000 0.000) 0.000 12.672 ( -0.000 0.000 0.000) 0.000 13.163 ( -0.000 0.000 0.000) 0.000 13.237 ( -0.000 0.000 0.000) 0.000 13.336 ( -0.000 0.000 0.000) 0.000 13.363 ( -0.000 0.000 0.000) 0.000 13.717 ( -0.000 0.000 0.000) 0.000 13.841 ( -0.000 0.000 0.000) 0.000 14.065 ( -0.000 0.000 -0.000) 0.000 14.340 ( -0.000 0.000 0.000) 0.000 14.745 ( -0.000 0.000 0.000) 0.000 17.197 ( 0.000 -0.000 0.000) 0.000 17.199 ( -0.000 0.000 -0.000) 0.000 17.876 ( -0.000 0.000 0.000) 0.000 18.089 ( -0.000 0.000 0.000) 0.000 18.208 ( -0.000 0.000 0.000) 0.000 18.500 ( -0.000 0.000 0.000) 0.000 18.571 ( -0.000 0.000 0.000) 0.000 18.661 ( -0.000 0.000 0.000) 0.000 19.116 ( -0.000 0.000 0.000) 0.000 19.333 ( -0.000 -0.000 0.000) 0.000 19.458 ( -0.000 0.000 0.000) 0.000 19.866 ( -0.000 0.000 0.000) 0.000 20.164 ( -0.000 -0.000 0.000) 0.000 20.286 ( -0.000 0.000 -0.000) 0.000 20.300 ( 0.000 -0.000 0.000) 0.000 21.181 ( -0.000 0.000 0.000) 0.000 21.973 ( -0.000 0.000 0.000) 0.000 22.178 ( -0.000 -0.000 0.000) 0.000 22.258 ( -0.000 0.000 0.000) 0.000 22.456 ( -0.000 0.000 0.000) 0.000 22.711 ( -0.000 0.000 0.000) 0.000 23.498 ( -0.000 0.000 0.000) 0.000 23.597 ( -0.000 0.000 0.000) 0.000 24.321 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 144 (63/78) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.404 0.000 -0.624) 0.743 0.938 ( 3.125 -0.000 -1.289) 3.380 1.241 ( 26.068 -0.000 -12.645) 28.974 1.474 ( 11.766 -0.000 8.474) 14.500 1.503 ( 14.425 -0.000 -8.495) 16.740 1.671 ( 19.306 -0.000 1.276) 19.348 1.736 ( 9.897 -0.000 7.793) 12.597 1.954 ( 7.071 -0.000 -10.388) 12.566 2.010 ( 1.389 -0.000 -3.079) 3.378 2.182 ( 0.558 -0.000 -2.469) 2.531 2.254 ( -2.678 0.000 -1.095) 2.893 2.256 ( 4.175 -0.000 -10.629) 11.420 2.361 ( 2.255 -0.000 1.204) 2.556 2.410 ( 3.202 -0.000 9.966) 10.468 2.796 ( -2.143 0.000 4.489) 4.974 2.828 ( 1.547 -0.000 1.831) 2.397 2.945 ( -9.046 0.000 2.021) 9.269 3.005 ( -7.166 0.000 0.783) 7.209 3.153 ( -8.187 0.000 -3.628) 8.954 3.358 ( 0.784 -0.000 4.241) 4.312 3.457 ( -8.494 0.000 9.262) 12.567 3.521 ( 13.471 -0.000 0.226) 13.473 3.612 ( -2.443 0.000 -13.508) 13.727 3.678 ( -2.812 0.000 5.615) 6.280 3.948 ( -1.818 0.000 -5.135) 5.447 4.130 ( 11.615 -0.000 2.738) 11.934 4.288 ( -6.064 0.000 2.184) 6.445 4.370 ( 6.923 -0.000 -1.565) 7.097 4.506 ( 7.102 -0.000 2.313) 7.470 4.577 ( -7.560 0.000 -1.701) 7.749 4.831 ( -0.308 0.000 0.392) 0.498 5.176 ( -9.789 0.000 -1.146) 9.856 5.399 ( 4.098 -0.000 -3.633) 5.477 5.671 ( -3.482 0.000 1.229) 3.693 5.691 ( -6.964 0.000 1.089) 7.049 5.798 ( -8.142 0.000 -2.434) 8.498 5.872 ( -3.416 0.000 -2.726) 4.370 6.050 ( -4.414 0.000 2.634) 5.140 6.238 ( -4.610 0.000 -1.161) 4.754 6.250 ( -0.335 0.000 -2.193) 2.219 6.342 ( -5.677 0.000 2.496) 6.201 6.660 ( -5.000 0.000 3.379) 6.034 6.710 ( 0.626 -0.000 -2.094) 2.186 6.857 ( 13.382 -0.000 4.008) 13.969 6.907 ( 14.797 -0.000 -3.035) 15.105 7.056 ( 0.245 -0.000 -0.214) 0.325 7.298 ( 5.007 -0.000 -1.263) 5.164 7.465 ( -0.566 0.000 1.055) 1.197 7.854 ( -11.508 0.000 -1.212) 11.572 7.935 ( 8.298 -0.000 -2.002) 8.536 8.051 ( 8.043 -0.000 1.768) 8.235 8.086 ( -8.001 0.000 0.674) 8.030 8.197 ( 19.198 -0.000 1.354) 19.245 8.253 ( 4.049 -0.000 -1.311) 4.256 8.506 ( 5.214 -0.000 5.742) 7.756 8.973 ( -9.627 0.000 -0.532) 9.642 9.160 ( -4.776 0.000 -5.676) 7.418 9.488 ( -11.058 0.000 0.875) 11.092 9.567 ( -3.166 0.000 -1.857) 3.671 9.905 ( -2.595 0.000 -2.644) 3.705 9.988 ( 12.030 -0.000 -0.223) 12.032 10.020 ( 0.907 -0.000 6.845) 6.905 10.160 ( 16.422 -0.000 1.650) 16.505 10.542 ( -1.109 0.000 -0.057) 1.110 10.879 ( 1.710 -0.000 8.148) 8.325 11.046 ( 11.090 -0.000 -5.927) 12.575 11.347 ( 3.898 -0.000 0.497) 3.929 11.629 ( 4.069 -0.000 0.059) 4.069 11.708 ( -1.869 0.000 1.111) 2.175 11.952 ( -2.306 0.000 -0.621) 2.389 12.130 ( 1.174 -0.000 1.199) 1.678 12.279 ( -0.019 0.000 -1.436) 1.436 12.360 ( 1.415 -0.000 0.562) 1.523 12.697 ( 1.183 -0.000 -0.008) 1.183 12.986 ( -2.098 0.000 -0.123) 2.101 13.310 ( -6.083 0.000 1.352) 6.231 13.467 ( -0.355 0.000 -2.623) 2.647 13.609 ( -0.249 0.000 0.022) 0.250 13.611 ( -11.539 0.000 0.647) 11.557 13.694 ( -11.176 0.000 -0.474) 11.186 13.807 ( 3.898 -0.000 2.348) 4.551 14.251 ( -11.162 0.000 -0.561) 11.176 14.844 ( 2.641 -0.000 10.480) 10.807 15.046 ( -1.741 0.000 2.178) 2.788 17.036 ( 0.636 -0.000 -0.519) 0.821 17.401 ( 0.966 -0.000 -0.204) 0.987 17.892 ( -23.055 0.000 -1.344) 23.094 17.978 ( 1.855 -0.000 0.942) 2.080 18.335 ( 2.280 -0.000 -3.341) 4.045 18.377 ( 4.451 -0.000 3.478) 5.649 18.501 ( 1.444 -0.000 -1.368) 1.989 18.669 ( -22.595 0.000 -2.566) 22.740 19.014 ( 1.765 -0.000 -0.374) 1.804 19.442 ( -1.946 0.000 -0.355) 1.979 19.725 ( 22.423 -0.000 -10.014) 24.558 19.784 ( -2.836 0.000 0.271) 2.849 20.016 ( -4.574 0.000 0.110) 4.575 20.680 ( 35.201 -0.000 20.268) 40.619 20.768 ( -3.133 0.000 -0.021) 3.133 20.833 ( -3.983 0.000 0.038) 3.983 21.323 ( 6.362 -0.000 -0.975) 6.436 21.398 ( 1.812 -0.000 -0.335) 1.842 22.419 ( 3.181 -0.000 0.029) 3.181 22.462 ( 1.308 -0.000 -0.032) 1.308 22.706 ( -11.462 0.000 -7.109) 13.488 23.454 ( 2.121 -0.000 -1.389) 2.536 23.522 ( 4.278 -0.000 0.142) 4.280 24.561 ( -5.421 0.000 -1.341) 5.584 ======================= Grid point 145 (64/78) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -1.087 -5.302 0.657) 5.452 1.049 ( -1.435 -11.408 -0.147) 11.498 1.420 ( 13.969 -1.038 -6.672) 15.516 1.644 ( 15.841 -0.907 -10.209) 18.868 1.797 ( 11.437 -11.997 8.043) 18.424 1.869 ( 1.699 -1.259 -4.296) 4.788 1.881 ( 3.547 -6.494 -5.393) 9.156 2.021 ( 5.791 -2.726 -0.279) 6.406 2.119 ( 7.540 -1.986 6.745) 10.310 2.141 ( -4.843 4.166 6.286) 8.962 2.226 ( -0.634 -2.250 -3.122) 3.900 2.294 ( 5.065 0.105 -4.826) 6.997 2.382 ( 1.685 -3.872 -4.027) 5.835 2.559 ( 5.287 -10.591 -5.398) 13.010 2.720 ( -3.486 6.677 4.449) 8.748 2.834 ( -1.302 0.568 -0.633) 1.555 2.858 ( -1.770 1.451 1.764) 2.890 2.952 ( -0.575 -2.360 -1.210) 2.714 3.207 ( 3.983 -4.083 5.052) 7.619 3.302 ( -0.306 -2.262 4.335) 4.899 3.353 ( -1.289 2.981 0.646) 3.312 3.558 ( 8.965 -0.746 -4.337) 9.987 3.664 ( -4.074 -1.129 6.788) 7.997 3.846 ( 2.398 -6.431 -10.461) 12.512 3.941 ( -0.784 -10.225 4.068) 11.032 4.228 ( 0.856 0.318 1.562) 1.809 4.274 ( 1.214 -2.444 0.822) 2.851 4.386 ( 4.684 5.164 -0.213) 6.975 4.531 ( 2.149 2.086 0.352) 3.016 4.552 ( -1.004 -0.563 2.616) 2.858 4.788 ( -1.889 3.163 -0.310) 3.697 5.063 ( -10.272 -1.214 -4.885) 11.439 5.335 ( -0.902 4.798 -2.229) 5.367 5.558 ( -1.494 5.691 2.817) 6.523 5.608 ( -5.296 5.456 -0.987) 7.667 5.713 ( -1.325 5.511 -3.150) 6.484 5.852 ( -1.815 2.599 -1.675) 3.585 5.952 ( -3.168 4.866 3.321) 6.689 6.075 ( -2.996 -0.495 1.706) 3.483 6.330 ( 2.056 -0.146 0.679) 2.171 6.402 ( -3.008 -4.819 -2.799) 6.332 6.647 ( 3.603 4.532 2.094) 6.157 6.701 ( 2.335 -4.443 -2.005) 5.405 6.813 ( 2.032 7.003 2.797) 7.810 7.035 ( 2.231 -0.642 -1.805) 2.941 7.172 ( 9.914 -5.554 3.007) 11.755 7.380 ( 3.678 -4.053 -2.742) 6.121 7.511 ( -0.984 -4.597 1.478) 4.928 7.678 ( -8.235 2.551 -1.219) 8.707 7.970 ( -3.281 0.215 -1.044) 3.450 8.098 ( 5.617 -5.243 0.460) 7.698 8.222 ( 6.324 -0.344 2.359) 6.758 8.234 ( 8.298 0.087 -1.090) 8.370 8.461 ( 7.836 -5.459 -2.752) 9.939 8.597 ( -0.443 -3.924 3.390) 5.204 8.910 ( -7.861 -2.291 -0.191) 8.190 9.051 ( 3.427 4.241 -2.293) 5.915 9.343 ( -10.507 4.630 -2.367) 11.723 9.524 ( -3.840 -0.716 -0.477) 3.935 9.807 ( -2.051 4.499 -1.155) 5.077 9.968 ( 2.560 8.950 4.383) 10.289 10.105 ( 6.809 0.839 0.211) 6.864 10.229 ( 11.296 5.108 -1.670) 12.509 10.687 ( 1.843 -11.546 0.604) 11.708 10.900 ( 2.650 3.102 5.903) 7.176 11.178 ( 7.094 -4.231 -1.374) 8.373 11.407 ( 4.554 -0.085 0.045) 4.555 11.651 ( 1.415 2.165 3.247) 4.151 11.684 ( 3.346 2.212 -0.708) 4.073 11.928 ( -2.945 -0.837 -0.767) 3.156 12.213 ( 0.575 -2.911 2.619) 3.957 12.348 ( 0.524 -7.290 -3.395) 8.058 12.423 ( 0.678 -7.914 2.043) 8.202 12.692 ( -0.285 1.630 -0.075) 1.657 13.005 ( -2.445 -4.450 -0.968) 5.169 13.192 ( -6.000 6.007 1.704) 8.659 13.404 ( -1.641 3.516 -2.273) 4.497 13.454 ( -14.558 8.552 0.353) 16.887 13.538 ( -8.540 -2.825 -0.684) 9.021 13.609 ( -4.952 -0.435 0.102) 4.972 13.879 ( 3.824 -1.614 2.925) 5.078 14.110 ( -9.181 4.331 1.675) 10.289 14.779 ( -1.707 10.382 6.545) 12.391 14.954 ( -3.351 5.787 -0.960) 6.755 17.082 ( 0.142 -4.111 -1.191) 4.282 17.411 ( -1.081 1.144 -1.404) 2.109 17.675 ( -12.802 -1.367 3.181) 13.262 18.054 ( 1.879 -5.015 1.445) 5.547 18.249 ( -7.671 10.083 -2.320) 12.880 18.374 ( 4.471 1.101 -2.306) 5.150 18.472 ( -0.739 -0.614 -0.592) 1.129 18.582 ( 8.888 -0.567 0.483) 8.919 19.063 ( 3.210 -2.260 0.381) 3.944 19.409 ( -3.495 0.298 0.061) 3.509 19.660 ( -4.772 6.531 -0.249) 8.092 19.927 ( -2.757 -6.802 0.234) 7.343 20.067 ( 11.867 -2.855 -7.457) 14.303 20.546 ( -1.648 15.427 3.911) 16.000 20.658 ( -4.564 7.160 -0.105) 8.491 21.297 ( 11.066 -2.254 12.889) 17.136 21.453 ( 8.981 -18.853 -1.710) 20.953 21.544 ( 3.173 -11.877 3.099) 12.678 22.451 ( 1.078 1.558 -0.158) 1.901 22.472 ( 1.271 -0.318 -1.115) 1.720 22.576 ( -6.691 -1.118 -4.579) 8.185 23.476 ( 2.504 -0.268 -1.333) 2.849 23.565 ( 4.126 -0.039 -0.376) 4.143 24.469 ( -5.030 3.029 -1.786) 6.137 ======================= Grid point 146 (65/78) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -1.506 -5.085 0.535) 5.330 1.205 ( -4.227 -9.267 -0.346) 10.191 1.496 ( 4.478 -0.626 -3.401) 5.658 1.752 ( 14.052 7.593 -2.132) 16.114 1.866 ( 3.489 2.769 -2.550) 5.132 1.876 ( -4.318 10.387 6.865) 13.178 1.934 ( 8.238 4.482 -3.210) 9.913 1.982 ( 8.993 10.225 -9.956) 16.869 2.031 ( 3.106 4.404 3.060) 6.197 2.209 ( -4.235 -2.920 4.243) 6.668 2.232 ( 2.450 3.825 -0.661) 4.590 2.277 ( -3.153 -4.737 3.279) 6.567 2.560 ( -5.620 -4.542 -2.935) 7.799 2.629 ( 1.353 -9.735 -1.245) 9.907 2.754 ( -3.278 -5.650 -2.026) 6.839 2.802 ( -3.004 0.152 0.888) 3.136 2.936 ( -2.790 -16.145 -3.152) 16.684 3.131 ( -1.446 -4.555 5.203) 7.065 3.266 ( -0.580 -8.563 -1.208) 8.667 3.307 ( 2.445 -3.089 -4.094) 5.682 3.485 ( 8.988 -7.273 0.425) 11.570 3.668 ( 1.380 -1.260 2.117) 2.824 3.844 ( 8.824 -4.955 -1.824) 10.283 3.898 ( 9.897 -10.390 0.483) 14.357 4.122 ( -3.547 -2.109 1.471) 4.381 4.227 ( -0.015 -0.012 1.338) 1.338 4.260 ( 4.816 6.990 5.313) 10.014 4.367 ( -1.039 -2.412 0.538) 2.680 4.517 ( 4.269 -0.122 1.642) 4.576 4.570 ( -2.391 -0.742 1.934) 3.164 4.738 ( 1.908 0.991 -2.878) 3.592 5.001 ( -6.513 -2.803 -4.878) 8.607 5.276 ( -1.271 1.441 2.319) 3.011 5.360 ( -6.662 10.469 -0.635) 12.425 5.484 ( 1.381 7.594 -0.857) 7.766 5.534 ( -3.352 8.426 -2.933) 9.531 5.841 ( 2.092 -0.348 -0.124) 2.124 5.903 ( 1.055 1.329 0.908) 1.925 6.084 ( -1.814 -1.539 1.884) 3.035 6.330 ( 1.938 0.246 -0.747) 2.091 6.428 ( 0.613 0.539 0.812) 1.151 6.602 ( 4.410 8.346 -1.577) 9.570 6.636 ( 5.967 6.309 0.717) 8.713 6.965 ( -1.961 -12.978 0.089) 13.126 7.059 ( -2.910 -3.709 -0.161) 4.717 7.291 ( 2.451 -0.111 2.780) 3.707 7.468 ( 3.916 -3.087 -2.807) 5.722 7.554 ( -1.979 -2.822 -0.029) 3.447 7.686 ( -0.473 -7.397 -0.043) 7.412 7.982 ( -2.766 -2.945 -0.467) 4.068 8.152 ( 2.103 2.820 3.176) 4.740 8.230 ( 3.455 0.331 -1.674) 3.854 8.306 ( 4.121 0.628 2.315) 4.768 8.598 ( -0.859 2.350 -4.207) 4.895 8.648 ( 6.285 -6.736 -1.149) 9.284 8.910 ( -2.465 -4.910 1.168) 5.617 9.018 ( -5.936 7.497 1.918) 9.753 9.193 ( -0.644 -2.108 -4.341) 4.869 9.543 ( -2.128 -4.113 -0.013) 4.631 9.747 ( -1.349 -1.312 -0.128) 1.886 9.801 ( -0.347 11.492 1.826) 11.641 10.147 ( 7.299 2.157 -0.310) 7.617 10.200 ( 4.100 6.383 -0.312) 7.593 10.847 ( 3.347 8.506 2.900) 9.590 10.914 ( 3.387 -10.462 -0.415) 11.004 11.288 ( 1.792 -3.324 -0.592) 3.822 11.390 ( 2.975 5.699 -1.300) 6.558 11.643 ( 2.956 2.047 3.468) 4.995 11.672 ( 4.432 4.751 0.335) 6.506 11.939 ( -3.051 -5.062 -0.270) 5.917 12.273 ( 2.675 -2.263 2.195) 4.135 12.440 ( 0.872 -4.050 -2.373) 4.774 12.534 ( -4.071 -0.800 1.026) 4.274 12.655 ( -4.579 -1.713 -1.259) 5.048 12.984 ( -4.116 10.996 -1.857) 11.887 13.095 ( -3.641 -5.361 0.925) 6.546 13.172 ( -7.390 4.677 0.450) 8.757 13.348 ( -0.405 2.207 -1.638) 2.777 13.526 ( -7.750 2.078 -0.529) 8.041 13.556 ( -5.505 -7.589 0.680) 9.400 13.893 ( -1.512 6.865 4.750) 8.484 14.001 ( -1.882 -2.327 0.492) 3.033 14.569 ( -3.472 10.838 2.921) 11.749 14.831 ( -1.784 4.434 -2.238) 5.277 17.137 ( -1.130 -2.923 -1.288) 3.388 17.313 ( -3.230 4.481 -2.323) 5.992 17.733 ( -3.294 -8.528 9.595) 13.253 18.010 ( -1.826 3.777 -4.177) 5.920 18.241 ( 2.491 -6.769 0.251) 7.218 18.390 ( -2.071 -1.720 -2.317) 3.552 18.524 ( 8.418 -0.365 5.381) 9.997 18.659 ( 8.369 2.060 -4.584) 9.762 19.157 ( 7.415 -1.785 0.903) 7.680 19.377 ( -4.047 -1.188 0.961) 4.325 19.476 ( -7.717 6.314 -0.809) 10.004 19.968 ( -4.522 -2.907 1.974) 5.727 20.151 ( 0.228 4.342 -4.395) 6.182 20.323 ( 2.618 5.704 1.216) 6.393 20.469 ( -5.886 8.004 -0.111) 9.936 21.290 ( 0.841 4.779 -2.331) 5.384 21.787 ( 2.014 -12.292 1.602) 12.559 21.872 ( 7.057 -12.611 3.741) 14.928 22.380 ( -1.337 3.208 -0.986) 3.612 22.479 ( 0.147 0.726 1.156) 1.373 22.615 ( 0.184 -4.559 1.126) 4.700 23.499 ( 2.007 -0.066 -1.054) 2.268 23.598 ( 2.886 0.198 -0.759) 2.991 24.373 ( -3.028 2.531 -1.274) 4.147 ======================= Grid point 147 (66/78) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -1.508 -4.677 0.430) 4.933 1.288 ( -1.600 -4.680 -1.067) 5.060 1.510 ( 0.341 0.764 -4.319) 4.399 1.642 ( 12.566 15.405 -1.705) 19.953 1.687 ( -3.375 3.591 3.247) 5.901 1.818 ( 15.082 10.514 -0.427) 18.390 1.902 ( 3.677 5.601 0.373) 6.710 1.939 ( 8.793 3.538 -1.356) 9.575 2.017 ( 2.560 2.012 3.698) 4.927 2.214 ( 1.028 0.381 -1.131) 1.575 2.270 ( -1.311 -5.959 4.299) 7.464 2.358 ( -2.688 -6.129 3.381) 7.498 2.508 ( -0.977 2.381 1.062) 2.784 2.682 ( 1.814 6.540 -4.300) 8.034 2.769 ( -0.003 -0.858 -1.996) 2.173 2.847 ( -4.605 -6.375 -0.655) 7.892 3.035 ( -7.989 0.087 -3.646) 8.782 3.248 ( -4.605 -21.132 0.663) 21.638 3.430 ( 7.343 -5.780 -4.749) 10.483 3.500 ( -5.442 -7.804 0.182) 9.516 3.575 ( -3.632 -8.488 -1.503) 9.354 3.808 ( 4.758 -0.651 -0.637) 4.844 3.908 ( -6.840 2.657 0.175) 7.340 3.919 ( -1.320 -0.176 3.341) 3.597 4.168 ( -1.799 4.210 7.148) 8.488 4.230 ( 3.979 2.657 0.860) 4.861 4.266 ( 3.596 -2.599 -0.599) 4.477 4.412 ( 9.442 0.986 1.561) 9.621 4.505 ( -6.527 -0.089 -2.089) 6.854 4.653 ( 5.267 -2.184 5.496) 7.920 4.782 ( 5.807 -2.953 -5.327) 8.415 4.999 ( -1.285 -3.842 -3.165) 5.141 5.137 ( -3.648 6.416 -1.597) 7.552 5.257 ( -2.147 1.940 5.816) 6.496 5.342 ( -0.663 6.331 -3.120) 7.089 5.407 ( -0.731 3.534 -1.551) 3.928 5.855 ( -2.167 -2.244 -0.102) 3.121 5.934 ( 4.303 0.351 1.821) 4.686 6.119 ( 4.291 -1.057 0.004) 4.419 6.356 ( 6.343 4.655 0.894) 7.919 6.388 ( -3.199 1.579 0.348) 3.584 6.463 ( 0.242 6.458 -1.804) 6.709 6.634 ( 3.549 3.108 -0.300) 4.727 7.074 ( -6.853 -5.648 0.758) 8.912 7.105 ( -0.770 -3.556 0.794) 3.724 7.286 ( -2.090 -0.075 -0.721) 2.212 7.565 ( 4.763 -3.811 -2.726) 6.682 7.641 ( 1.959 -6.505 -1.268) 6.910 7.804 ( -0.066 -4.161 3.215) 5.258 7.929 ( 1.721 6.120 2.819) 6.954 8.168 ( -0.192 5.048 -2.198) 5.509 8.230 ( -1.994 -5.181 1.330) 5.709 8.364 ( 4.278 -1.339 -0.318) 4.494 8.545 ( 2.221 3.202 -1.157) 4.065 8.720 ( -6.700 1.097 -2.009) 7.080 8.796 ( -8.266 -2.601 -0.462) 8.678 9.040 ( 5.089 -4.425 2.938) 7.356 9.280 ( 3.713 -4.409 -1.783) 6.034 9.490 ( -6.495 5.862 2.228) 9.028 9.620 ( -2.221 5.623 -1.665) 6.270 9.894 ( 3.192 -9.787 -0.069) 10.295 10.109 ( 1.573 6.608 -0.456) 6.808 10.214 ( 6.888 -3.452 0.344) 7.713 10.653 ( 0.286 16.643 1.027) 16.677 11.102 ( 1.642 -7.238 -0.145) 7.423 11.300 ( -0.529 3.200 -0.075) 3.245 11.336 ( 1.444 0.161 -1.598) 2.159 11.569 ( 3.736 9.967 0.231) 10.647 11.672 ( 0.813 0.762 2.233) 2.495 12.054 ( -1.610 -10.619 0.337) 10.745 12.337 ( -2.081 0.506 0.110) 2.144 12.414 ( -0.786 -0.462 -0.406) 0.998 12.529 ( -1.247 0.838 0.739) 1.674 12.605 ( -5.552 2.937 -0.452) 6.298 12.719 ( 2.357 7.423 -2.638) 8.223 13.142 ( -0.595 -2.080 0.383) 2.197 13.188 ( -1.010 -5.347 0.815) 5.502 13.320 ( 1.281 0.059 -1.358) 1.868 13.397 ( -4.871 4.157 -1.238) 6.522 13.688 ( -2.558 -10.853 1.397) 11.237 13.764 ( -3.810 3.759 2.867) 6.072 14.059 ( 3.364 -1.775 -1.486) 4.084 14.393 ( -3.576 6.305 3.413) 8.011 14.751 ( -2.114 2.118 -2.035) 3.619 17.161 ( -1.366 -2.205 0.174) 2.600 17.215 ( -2.121 2.784 -1.810) 3.940 17.869 ( 0.598 -3.916 5.708) 6.948 18.013 ( 0.848 -5.466 0.380) 5.545 18.264 ( 0.639 3.649 -5.387) 6.537 18.467 ( -0.577 -5.436 3.275) 6.372 18.603 ( 3.684 2.019 -0.241) 4.208 18.669 ( 4.450 1.837 -0.685) 4.863 19.224 ( 8.229 4.867 0.092) 9.561 19.319 ( -4.036 0.842 -0.389) 4.141 19.421 ( -0.165 -4.093 0.133) 4.098 19.896 ( -2.247 5.635 0.263) 6.072 20.060 ( -9.156 -5.653 0.665) 10.781 20.256 ( -8.717 5.557 -0.486) 10.349 20.393 ( 9.661 1.147 2.468) 10.037 21.184 ( -3.718 3.289 -8.004) 9.418 21.959 ( 2.248 -4.548 2.089) 5.487 22.100 ( 3.937 -7.805 -1.032) 8.802 22.328 ( 2.213 3.856 0.811) 4.519 22.471 ( 0.369 0.732 3.813) 3.900 22.675 ( -2.720 -2.546 1.269) 3.935 23.509 ( 1.076 0.440 -0.486) 1.260 23.605 ( 0.856 0.848 -1.344) 1.805 24.321 ( -1.231 0.674 -0.519) 1.496 ======================= Grid point 148 (67/78) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.291 -1.636 0.302) 1.689 1.357 ( 1.002 -4.734 -1.193) 4.984 1.500 ( 2.696 -0.596 -1.926) 3.366 1.606 ( 6.810 -0.172 -2.381) 7.217 1.697 ( 8.417 0.706 0.812) 8.486 1.833 ( 12.061 4.609 -2.486) 13.149 1.860 ( 4.035 2.894 8.443) 9.795 1.967 ( 11.115 4.881 2.294) 12.355 2.046 ( 5.326 1.028 3.907) 6.685 2.207 ( 0.337 1.084 -0.848) 1.416 2.375 ( 1.940 -2.524 2.684) 4.164 2.423 ( 0.526 -0.649 1.721) 1.913 2.508 ( -2.368 -4.950 3.134) 6.319 2.574 ( 1.811 5.265 -5.296) 7.684 2.745 ( -3.307 0.703 -0.770) 3.468 2.830 ( -7.722 0.844 1.021) 7.835 3.003 ( -2.885 -4.666 -7.324) 9.151 3.374 ( -9.903 4.930 -5.879) 12.528 3.430 ( -18.922 0.525 -0.316) 18.932 3.567 ( 1.217 1.710 6.743) 7.062 3.671 ( 0.907 -12.639 -5.718) 13.902 3.762 ( 3.213 2.754 0.443) 4.254 3.787 ( -0.643 3.637 2.399) 4.404 3.965 ( -5.821 0.512 4.517) 7.386 4.078 ( -4.379 -2.821 -1.063) 5.317 4.196 ( 4.770 11.772 3.172) 13.091 4.270 ( -1.566 1.980 -3.472) 4.293 4.418 ( 1.715 -1.111 1.167) 2.353 4.466 ( 0.155 4.933 -1.958) 5.309 4.719 ( 2.511 0.515 -0.617) 2.636 4.815 ( 4.709 4.122 0.099) 6.259 5.044 ( 1.644 0.067 0.220) 1.660 5.155 ( 4.312 -7.162 -3.711) 9.147 5.216 ( -2.470 1.454 2.695) 3.934 5.289 ( -0.656 -4.163 -1.018) 4.335 5.378 ( -0.891 -0.723 2.270) 2.544 5.890 ( -4.108 -5.776 -0.229) 7.092 5.967 ( 5.137 1.926 1.849) 5.789 6.149 ( 5.444 8.174 -0.983) 9.870 6.230 ( 0.559 7.760 2.884) 8.297 6.328 ( -2.864 -0.106 -3.701) 4.681 6.485 ( 3.193 -3.995 0.837) 5.182 6.567 ( -1.237 5.535 -0.022) 5.671 7.048 ( -13.349 -3.917 0.132) 13.912 7.153 ( 5.486 1.136 -0.757) 5.653 7.324 ( -0.242 -5.204 1.386) 5.391 7.666 ( 5.346 -1.912 -3.225) 6.530 7.702 ( -0.255 0.994 -3.656) 3.798 7.787 ( 0.468 7.630 6.109) 9.786 7.895 ( 2.824 0.685 2.061) 3.563 8.110 ( -0.877 -0.821 -1.445) 1.878 8.197 ( -6.811 2.539 -1.104) 7.352 8.380 ( -2.695 9.830 -2.817) 10.575 8.465 ( 3.293 -4.279 0.008) 5.400 8.776 ( -0.749 -7.283 2.645) 7.785 8.843 ( -4.016 -6.723 1.451) 7.964 9.137 ( 6.374 0.706 1.718) 6.639 9.313 ( -2.337 3.295 3.026) 5.047 9.403 ( -0.987 -3.843 -4.454) 5.966 9.535 ( -3.724 -0.149 -0.697) 3.792 9.997 ( 1.125 2.771 0.850) 3.109 10.053 ( 3.600 -0.001 -1.768) 4.011 10.321 ( -1.197 17.823 1.435) 17.921 10.427 ( 3.215 -11.309 -0.570) 11.771 11.132 ( -3.938 2.422 0.260) 4.631 11.249 ( -0.333 1.979 0.076) 2.008 11.386 ( 2.313 -2.339 -0.109) 3.291 11.431 ( 0.286 5.906 -0.060) 5.913 11.631 ( -2.375 2.915 0.062) 3.761 12.198 ( -3.462 -2.155 -0.263) 4.087 12.282 ( 0.054 1.965 -1.975) 2.787 12.322 ( -3.214 0.243 1.030) 3.384 12.566 ( -0.966 -0.315 0.198) 1.035 12.584 ( 2.808 -8.089 0.618) 8.585 12.773 ( 7.393 -3.440 -0.698) 8.184 13.166 ( -0.143 -0.503 0.370) 0.641 13.259 ( 1.356 -3.244 1.005) 3.657 13.288 ( -1.969 2.324 -1.129) 3.249 13.393 ( 1.229 -5.066 0.073) 5.213 13.716 ( -0.724 -1.025 0.833) 1.506 13.871 ( 1.500 -8.569 2.414) 9.029 14.094 ( 5.379 1.798 -7.177) 9.147 14.323 ( -3.182 -1.565 5.489) 6.534 14.693 ( -3.850 0.639 -1.717) 4.263 17.169 ( -1.184 -0.123 -1.076) 1.604 17.205 ( -0.405 -3.911 0.940) 4.043 17.922 ( 2.576 -0.003 3.399) 4.265 18.113 ( 3.862 3.830 -3.990) 6.746 18.210 ( 0.330 -4.307 -0.810) 4.395 18.436 ( -6.932 5.757 2.033) 9.237 18.576 ( 1.305 2.731 -0.189) 3.033 18.645 ( -1.121 3.503 -0.651) 3.735 19.152 ( 2.267 8.739 0.476) 9.041 19.356 ( 0.879 -5.982 0.689) 6.085 19.519 ( 7.171 -3.346 -0.543) 7.932 19.901 ( 3.122 -4.420 -0.116) 5.412 20.068 ( -11.418 1.422 0.682) 11.526 20.120 ( -5.110 -7.082 -0.324) 8.739 20.488 ( 8.036 0.282 5.808) 9.919 21.070 ( -6.226 0.282 -10.503) 12.213 22.013 ( 3.792 1.954 -0.627) 4.311 22.162 ( -2.221 3.617 1.176) 4.404 22.328 ( 6.279 -0.558 0.241) 6.309 22.503 ( 2.125 -1.150 5.354) 5.874 22.647 ( -5.896 0.712 -0.605) 5.970 23.503 ( 0.260 0.965 0.315) 1.048 23.577 ( -1.051 1.575 -1.841) 2.641 24.321 ( -0.025 -1.558 -0.008) 1.558 ======================= Grid point 149 (68/78) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.371 3.517 -0.078) 3.537 1.420 ( 1.879 1.030 -0.346) 2.171 1.565 ( 8.113 0.957 2.716) 8.609 1.688 ( -3.178 -5.466 2.091) 6.660 1.776 ( 5.524 -1.013 -5.061) 7.560 1.820 ( 0.173 2.186 1.155) 2.478 1.971 ( 13.938 10.020 0.971) 17.194 2.009 ( 6.351 -1.789 8.734) 10.946 2.112 ( 11.952 -0.227 -0.590) 11.969 2.183 ( -0.165 1.052 -0.677) 1.262 2.349 ( 0.557 5.562 -0.082) 5.591 2.465 ( -0.043 -0.349 1.765) 1.800 2.504 ( 3.494 1.472 -5.209) 6.443 2.570 ( -14.906 -2.371 2.352) 15.276 2.664 ( -4.303 1.336 1.280) 4.684 2.767 ( 0.685 -2.375 -2.461) 3.488 3.042 ( -11.639 2.976 -4.582) 12.858 3.054 ( -8.362 3.368 -0.968) 9.067 3.138 ( -14.868 6.328 0.419) 16.164 3.526 ( 2.410 4.697 5.301) 7.481 3.641 ( 4.196 13.339 -3.133) 14.330 3.754 ( -0.140 14.208 0.676) 14.224 3.878 ( 6.110 4.569 2.004) 7.888 3.912 ( 0.303 -6.024 -0.848) 6.091 4.002 ( 2.385 3.165 -0.467) 3.990 4.083 ( -7.882 -1.678 2.226) 8.360 4.214 ( 0.456 2.745 -4.204) 5.042 4.352 ( -3.250 2.851 -1.098) 4.461 4.517 ( 4.686 -4.149 -0.640) 6.292 4.625 ( -3.453 4.578 0.770) 5.785 4.859 ( 6.712 0.608 -1.074) 6.824 5.076 ( 0.052 -3.406 0.820) 3.503 5.151 ( -3.852 1.935 0.904) 4.404 5.262 ( -0.297 -5.222 -2.198) 5.673 5.439 ( 0.779 -5.834 3.242) 6.720 5.486 ( 2.847 -13.149 0.553) 13.465 5.944 ( 0.986 11.716 -0.266) 11.760 5.977 ( -1.515 -2.172 0.484) 2.693 6.000 ( 1.216 -5.787 0.040) 5.914 6.187 ( -1.136 0.857 1.476) 2.051 6.321 ( 0.435 -1.220 -2.786) 3.072 6.450 ( -2.927 4.387 -0.077) 5.275 6.613 ( 5.264 -4.447 1.117) 6.980 6.996 ( -8.144 -3.352 -0.373) 8.815 7.161 ( 2.112 3.410 0.841) 4.099 7.334 ( -0.139 8.231 -1.129) 8.309 7.578 ( -1.478 9.631 5.023) 10.962 7.615 ( 0.134 4.738 -4.664) 6.649 7.787 ( 7.462 0.334 -0.899) 7.524 7.988 ( 4.097 -4.224 0.998) 5.968 8.030 ( -9.589 3.128 -0.359) 10.092 8.154 ( -2.380 -3.650 0.731) 4.419 8.227 ( -1.840 3.292 -1.548) 4.077 8.508 ( -0.819 2.319 0.655) 2.545 8.784 ( 1.308 4.155 1.544) 4.621 8.949 ( -1.473 -3.817 -0.092) 4.092 9.171 ( 6.730 2.343 0.180) 7.128 9.346 ( 2.562 -6.163 2.595) 7.161 9.412 ( -5.765 -4.035 -0.821) 7.084 9.560 ( -2.454 -4.237 -1.926) 5.261 9.875 ( 0.164 12.108 -0.246) 12.111 10.065 ( 2.497 1.809 -2.315) 3.856 10.129 ( -1.252 1.495 2.598) 3.248 10.625 ( -0.060 -8.157 -0.667) 8.185 11.022 ( -0.760 5.922 0.111) 5.972 11.181 ( -4.200 3.860 1.069) 5.804 11.355 ( 1.360 0.664 -0.365) 1.557 11.484 ( 0.145 -4.049 -0.109) 4.053 11.578 ( -1.786 -0.679 -0.970) 2.143 12.116 ( 1.274 8.113 0.092) 8.213 12.186 ( -2.073 -0.714 -0.969) 2.397 12.490 ( 0.586 -7.874 0.726) 7.929 12.530 ( -1.199 1.568 -0.561) 2.052 12.744 ( 0.698 -5.634 1.107) 5.784 12.933 ( 4.324 -7.659 0.277) 8.800 13.158 ( -0.648 0.697 -1.367) 1.665 13.279 ( 1.049 -2.122 0.768) 2.489 13.346 ( 2.265 -4.578 0.671) 5.152 13.497 ( 0.932 -5.337 0.166) 5.420 13.759 ( -0.812 -3.281 0.120) 3.382 13.980 ( 5.793 4.166 3.018) 7.747 14.087 ( 1.557 -3.647 -6.594) 7.695 14.445 ( 3.350 -9.996 2.510) 10.837 14.641 ( -7.043 -1.919 -1.305) 7.415 17.176 ( -0.212 -1.051 -0.073) 1.074 17.298 ( 0.264 -6.330 1.030) 6.419 17.967 ( 1.652 -1.652 5.576) 6.046 18.019 ( 8.424 7.121 -9.738) 14.715 18.201 ( -9.435 6.060 2.068) 11.402 18.363 ( -0.864 -3.975 0.136) 4.070 18.470 ( -0.372 8.671 0.333) 8.685 18.564 ( -1.257 3.188 0.229) 3.434 19.058 ( -0.551 2.350 0.069) 2.415 19.480 ( 0.736 -6.453 0.239) 6.499 19.638 ( 11.948 2.788 -0.597) 12.284 19.922 ( -11.866 -0.438 0.997) 11.916 20.021 ( 0.661 -4.941 0.878) 5.062 20.277 ( 1.069 -11.428 -0.074) 11.478 20.569 ( 4.312 -0.540 3.724) 5.723 20.996 ( -5.472 -2.278 -7.679) 9.701 21.947 ( 2.947 9.867 -2.258) 10.542 21.998 ( -2.586 12.280 2.130) 12.729 22.413 ( 4.768 -1.234 0.048) 4.925 22.525 ( -4.422 2.935 2.938) 6.066 22.603 ( 0.715 -3.919 0.113) 3.985 23.486 ( 0.051 1.299 1.117) 1.714 23.526 ( -1.791 1.826 -1.861) 3.163 24.373 ( 0.545 -4.157 0.195) 4.197 ======================= Grid point 150 (69/78) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 6.347 0.000) 6.347 1.318 ( 0.000 11.768 0.000) 11.768 1.548 ( 0.000 12.465 0.000) 12.465 1.592 ( -0.000 17.941 -0.000) 17.941 1.750 ( -0.000 4.715 0.000) 4.715 1.797 ( 0.000 0.306 0.000) 0.306 1.858 ( -0.000 3.947 0.000) 3.947 2.111 ( 0.000 -3.763 0.000) 3.763 2.153 ( 0.000 2.937 0.000) 2.937 2.190 ( -0.000 5.105 0.000) 5.105 2.243 ( -0.000 0.152 0.000) 0.152 2.380 ( 0.000 13.653 0.000) 13.653 2.444 ( -0.000 14.748 0.000) 14.748 2.471 ( -0.000 0.619 0.000) 0.619 2.662 ( 0.000 -8.927 0.000) 8.927 2.810 ( -0.000 0.881 0.000) 0.881 2.865 ( -0.000 -0.316 0.000) 0.316 3.017 ( 0.000 -5.886 0.000) 5.886 3.113 ( 0.000 -1.933 0.000) 1.933 3.382 ( 0.000 18.462 0.000) 18.462 3.414 ( -0.000 8.014 0.000) 8.014 3.526 ( 0.000 1.645 0.000) 1.645 3.882 ( 0.000 1.177 0.000) 1.177 3.923 ( -0.000 10.428 0.000) 10.428 3.943 ( -0.000 -1.296 0.000) 1.296 4.157 ( 0.000 -7.802 -0.000) 7.802 4.158 ( -0.000 2.810 0.000) 2.810 4.338 ( 0.000 -2.352 0.000) 2.352 4.460 ( -0.000 8.362 0.000) 8.362 4.697 ( -0.000 -7.759 0.000) 7.759 4.835 ( 0.000 5.757 0.000) 5.757 5.121 ( -0.000 -3.685 0.000) 3.685 5.202 ( -0.000 -7.938 0.000) 7.938 5.369 ( 0.000 -9.007 0.000) 9.007 5.615 ( 0.000 -12.283 0.000) 12.283 5.726 ( -0.000 -11.865 0.000) 11.865 5.780 ( 0.000 4.175 0.000) 4.175 5.986 ( -0.000 -0.479 0.000) 0.479 6.168 ( 0.000 1.564 0.000) 1.564 6.198 ( 0.000 -14.605 0.000) 14.605 6.365 ( -0.000 -4.026 0.000) 4.026 6.385 ( -0.000 0.766 0.000) 0.766 6.711 ( -0.000 -2.865 0.000) 2.865 6.953 ( 0.000 7.494 0.000) 7.494 7.065 ( 0.000 18.031 0.000) 18.031 7.113 ( -0.000 0.322 0.000) 0.322 7.388 ( 0.000 12.302 0.000) 12.302 7.561 ( 0.000 1.524 0.000) 1.524 7.844 ( 0.000 -1.313 0.000) 1.313 7.923 ( -0.000 0.824 0.000) 0.824 8.033 ( 0.000 3.796 0.000) 3.796 8.107 ( -0.000 5.047 0.000) 5.047 8.301 ( 0.000 -6.652 0.000) 6.652 8.396 ( 0.000 8.689 0.000) 8.689 8.794 ( 0.000 -7.543 0.000) 7.543 8.886 ( 0.000 9.578 0.000) 9.578 9.178 ( -0.000 2.226 0.000) 2.226 9.472 ( 0.000 -9.015 0.000) 9.015 9.556 ( -0.000 -10.366 -0.000) 10.366 9.563 ( 0.000 -0.598 0.000) 0.598 9.722 ( 0.000 3.989 0.000) 3.989 10.025 ( -0.000 3.693 0.000) 3.693 10.135 ( 0.000 -0.117 0.000) 0.117 10.699 ( -0.000 -1.511 0.000) 1.511 10.930 ( 0.000 5.019 0.000) 5.019 11.081 ( -0.000 4.879 0.000) 4.879 11.368 ( -0.000 -0.133 0.000) 0.133 11.539 ( 0.000 -2.583 0.000) 2.583 11.618 ( -0.000 -4.311 0.000) 4.311 12.019 ( -0.000 3.788 0.000) 3.788 12.197 ( 0.000 -1.155 0.000) 1.155 12.437 ( -0.000 5.196 0.000) 5.196 12.598 ( 0.000 0.190 0.000) 0.190 12.728 ( 0.000 7.379 0.000) 7.379 13.117 ( 0.000 -11.032 0.000) 11.032 13.119 ( -0.000 3.287 -0.000) 3.287 13.355 ( 0.000 -5.124 0.000) 5.124 13.469 ( -0.000 -7.409 0.000) 7.409 13.593 ( 0.000 -5.211 0.000) 5.211 13.790 ( 0.000 -1.293 0.000) 1.293 13.900 ( -0.000 6.540 0.000) 6.540 14.215 ( -0.000 -9.006 0.000) 9.006 14.589 ( -0.000 -1.778 0.000) 1.778 14.729 ( -0.000 -14.557 0.000) 14.557 17.165 ( -0.000 3.091 0.000) 3.091 17.402 ( 0.000 -3.908 0.000) 3.908 18.019 ( -0.000 0.862 0.000) 0.862 18.060 ( 0.000 -2.068 0.000) 2.068 18.098 ( 0.000 -12.788 0.000) 12.788 18.217 ( 0.000 11.070 0.000) 11.070 18.486 ( 0.000 4.738 0.000) 4.738 18.514 ( 0.000 -5.730 -0.000) 5.730 19.044 ( 0.000 -0.229 0.000) 0.229 19.573 ( -0.000 -1.148 0.000) 1.148 19.632 ( 0.000 1.042 0.000) 1.042 19.822 ( 0.000 6.073 0.000) 6.073 20.102 ( -0.000 -2.799 0.000) 2.799 20.453 ( 0.000 -6.211 0.000) 6.211 20.632 ( 0.000 -4.515 0.000) 4.515 20.989 ( 0.000 -1.031 0.000) 1.031 21.683 ( -0.000 22.874 0.000) 22.874 21.739 ( 0.000 14.455 0.000) 14.455 22.442 ( -0.000 2.668 0.000) 2.668 22.450 ( 0.000 0.142 -0.000) 0.142 22.713 ( 0.000 -6.648 0.000) 6.648 23.469 ( 0.000 1.200 0.000) 1.200 23.479 ( -0.000 1.427 -0.000) 1.427 24.470 ( 0.000 -6.302 0.000) 6.302 ======================= Grid point 154 (70/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.150 0.000 -0.676) 0.692 0.980 ( 1.347 -0.000 -0.250) 1.370 1.469 ( 4.517 -0.000 -5.009) 6.744 1.655 ( 2.447 -0.000 -2.752) 3.683 1.748 ( 8.608 -0.000 4.329) 9.635 1.839 ( -0.812 0.000 -7.302) 7.347 1.878 ( 3.472 -0.000 -1.402) 3.745 2.040 ( 5.617 -0.000 -4.360) 7.111 2.169 ( -6.397 0.000 -0.703) 6.436 2.176 ( -7.028 0.000 15.368) 16.898 2.201 ( 5.684 -0.000 -1.570) 5.897 2.354 ( 18.153 -0.000 -11.957) 21.737 2.389 ( -1.395 0.000 -1.167) 1.818 2.687 ( 13.508 -0.000 -5.263) 14.497 2.795 ( -1.113 0.000 -0.075) 1.115 2.827 ( 3.075 -0.000 3.257) 4.479 2.889 ( 0.701 -0.000 5.412) 5.457 2.993 ( 17.269 -0.000 -1.354) 17.322 3.122 ( 6.543 -0.000 -3.119) 7.249 3.286 ( -10.503 0.000 8.266) 13.366 3.394 ( 0.420 -0.000 1.969) 2.013 3.611 ( 7.426 -0.000 -5.358) 9.157 3.647 ( -2.680 0.000 12.529) 12.813 3.766 ( -4.874 0.000 -14.236) 15.047 3.827 ( 7.517 -0.000 4.383) 8.702 4.205 ( -1.434 0.000 0.572) 1.544 4.328 ( 6.939 -0.000 -0.382) 6.950 4.478 ( -3.935 0.000 3.133) 5.030 4.509 ( 6.614 -0.000 0.205) 6.617 4.627 ( 3.551 -0.000 -0.582) 3.599 4.786 ( -5.108 0.000 0.768) 5.165 4.919 ( -9.425 0.000 -6.192) 11.277 5.334 ( -4.941 0.000 -3.360) 5.975 5.504 ( -11.195 0.000 0.197) 11.197 5.667 ( 0.516 -0.000 4.485) 4.515 5.781 ( 3.193 -0.000 -1.870) 3.700 5.813 ( -4.621 0.000 -1.194) 4.772 5.975 ( -0.207 0.000 4.075) 4.081 6.181 ( -0.790 0.000 3.461) 3.550 6.214 ( -2.050 0.000 -3.219) 3.816 6.376 ( 5.880 -0.000 -1.959) 6.198 6.603 ( -2.760 0.000 2.309) 3.599 6.718 ( 0.627 -0.000 0.510) 0.808 6.960 ( -0.107 0.000 0.235) 0.258 7.006 ( -1.746 0.000 0.925) 1.976 7.307 ( 16.507 -0.000 2.064) 16.635 7.327 ( -0.069 0.000 -2.780) 2.781 7.437 ( -2.980 0.000 0.887) 3.109 7.595 ( -10.940 0.000 -2.863) 11.308 7.916 ( -8.327 0.000 0.556) 8.346 8.155 ( 12.311 -0.000 -0.811) 12.338 8.271 ( 11.238 -0.000 1.208) 11.303 8.360 ( 8.797 -0.000 -2.019) 9.026 8.457 ( 5.194 -0.000 -0.845) 5.262 8.603 ( -1.182 0.000 5.028) 5.165 8.866 ( 0.983 -0.000 0.280) 1.022 9.095 ( 3.396 -0.000 -4.629) 5.741 9.281 ( -10.112 0.000 0.810) 10.144 9.465 ( -5.906 0.000 -1.336) 6.056 9.772 ( -7.771 0.000 -2.617) 8.200 10.069 ( -0.693 0.000 4.129) 4.187 10.221 ( 10.886 -0.000 0.094) 10.886 10.486 ( 15.148 -0.000 -0.872) 15.173 10.518 ( -1.057 0.000 -0.003) 1.057 10.983 ( 3.907 -0.000 3.231) 5.070 11.195 ( 3.387 -0.000 2.645) 4.297 11.473 ( 8.418 -0.000 0.548) 8.436 11.650 ( -4.184 0.000 2.902) 5.092 11.778 ( 7.173 -0.000 -0.074) 7.173 11.905 ( 0.820 -0.000 -0.883) 1.205 12.178 ( 2.277 -0.000 2.919) 3.702 12.267 ( 0.363 -0.000 -2.954) 2.976 12.403 ( 2.257 -0.000 0.455) 2.302 12.709 ( -0.723 0.000 -0.197) 0.750 12.927 ( -3.457 0.000 -0.565) 3.503 13.197 ( -5.620 0.000 1.522) 5.823 13.300 ( -18.981 0.000 1.175) 19.018 13.389 ( -17.988 0.000 -0.755) 18.004 13.424 ( -1.734 0.000 -3.005) 3.469 13.590 ( -1.774 0.000 -0.061) 1.775 13.917 ( 5.027 -0.000 2.844) 5.776 14.087 ( -5.381 0.000 2.148) 5.794 14.848 ( -10.026 0.000 4.874) 11.148 14.943 ( -4.240 0.000 -2.125) 4.743 17.046 ( 0.716 -0.000 -0.577) 0.919 17.423 ( 1.308 -0.000 -0.366) 1.358 17.542 ( -10.720 0.000 4.752) 11.726 18.040 ( 3.222 -0.000 1.782) 3.682 18.212 ( -15.317 0.000 -10.784) 18.732 18.338 ( 0.507 -0.000 -2.195) 2.253 18.557 ( 10.593 -0.000 2.116) 10.802 18.688 ( 10.904 -0.000 4.288) 11.717 19.062 ( 3.435 -0.000 -0.766) 3.520 19.376 ( -4.445 0.000 -0.704) 4.500 19.702 ( -5.494 0.000 0.586) 5.525 19.756 ( -10.837 0.000 2.448) 11.110 20.186 ( 18.527 -0.000 -6.899) 19.770 20.687 ( -4.630 0.000 -0.044) 4.631 20.739 ( -4.881 0.000 0.052) 4.881 21.342 ( 14.132 -0.000 3.356) 14.525 21.365 ( 0.007 -0.000 -1.365) 1.365 21.513 ( 7.112 -0.000 12.758) 14.606 22.463 ( -6.107 0.000 -3.390) 6.985 22.488 ( 2.317 -0.000 0.289) 2.335 22.503 ( 3.508 -0.000 -0.281) 3.519 23.495 ( 2.472 -0.000 -1.713) 3.007 23.607 ( 4.430 -0.000 -0.938) 4.528 24.433 ( -5.434 0.000 -2.183) 5.856 ======================= Grid point 155 (71/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.592 -6.023 -0.402) 6.066 1.023 ( -1.338 -5.313 0.111) 5.480 1.506 ( 3.740 -1.148 -2.260) 4.518 1.812 ( -4.765 -6.208 1.839) 8.039 1.829 ( 0.041 -5.956 -6.697) 8.963 1.875 ( 1.016 -3.948 2.245) 4.654 1.984 ( -0.060 -8.654 3.109) 9.196 2.049 ( -3.019 -4.790 -0.246) 5.667 2.121 ( -0.259 0.791 4.251) 4.332 2.229 ( -0.175 -1.392 -1.517) 2.066 2.236 ( -5.103 -11.250 0.931) 12.388 2.320 ( -5.317 1.080 -6.777) 8.682 2.434 ( 13.502 5.341 -7.540) 16.362 2.624 ( 18.608 18.610 -2.361) 26.423 2.702 ( 0.337 5.741 1.962) 6.076 2.831 ( 2.790 2.950 0.036) 4.061 2.886 ( 2.158 2.640 3.554) 4.925 3.117 ( 1.009 1.344 1.559) 2.293 3.186 ( -1.674 1.629 -2.565) 3.469 3.336 ( 4.538 -0.646 0.809) 4.655 3.455 ( 11.028 -8.212 -0.493) 13.759 3.673 ( -0.305 0.073 -2.310) 2.332 3.732 ( -4.872 -7.195 4.978) 10.015 3.851 ( 18.508 -13.571 0.406) 22.954 4.006 ( 1.556 -7.026 2.405) 7.588 4.206 ( 2.251 -0.719 -2.272) 3.279 4.370 ( 2.071 0.843 -0.176) 2.242 4.418 ( -0.700 4.120 3.847) 5.680 4.531 ( 0.667 2.745 -0.166) 2.830 4.626 ( 1.920 0.651 3.355) 3.920 4.754 ( -0.042 0.382 -2.245) 2.278 4.844 ( -7.251 -3.166 -5.058) 9.391 5.267 ( -4.185 0.714 -1.085) 4.382 5.386 ( -9.735 1.883 -0.261) 9.919 5.618 ( -0.995 6.661 3.657) 7.664 5.646 ( -3.385 8.521 -2.961) 9.635 5.866 ( 3.466 -2.450 0.116) 4.246 5.996 ( 4.140 5.586 1.801) 7.183 6.055 ( 0.172 0.306 2.385) 2.411 6.293 ( -4.111 -3.115 -2.060) 5.554 6.437 ( 6.531 -0.117 -1.229) 6.646 6.687 ( -1.964 -6.548 -1.753) 7.057 6.718 ( 0.479 -2.708 3.282) 4.282 6.882 ( 2.822 10.784 1.073) 11.199 6.965 ( -4.780 -3.682 1.335) 6.180 7.375 ( -0.583 -2.157 -3.613) 4.248 7.429 ( 5.100 -1.875 4.958) 7.355 7.486 ( -3.071 -1.726 -2.466) 4.300 7.528 ( 1.196 -7.424 -1.823) 7.738 7.851 ( -5.922 -2.359 -0.022) 6.375 8.241 ( 5.916 2.214 -0.647) 6.350 8.340 ( 4.694 4.129 -0.140) 6.253 8.392 ( 6.677 3.594 0.870) 7.632 8.537 ( -1.992 -4.252 -0.699) 4.748 8.664 ( 6.266 -3.828 2.097) 7.636 8.858 ( 3.057 1.731 0.468) 3.544 9.114 ( -6.943 7.845 -1.365) 10.565 9.156 ( 4.782 -2.153 -1.506) 5.456 9.429 ( -5.218 -3.490 -0.401) 6.291 9.696 ( -6.543 -1.054 -1.848) 6.880 9.977 ( -2.539 9.070 1.692) 9.569 10.288 ( 9.215 3.871 -0.784) 10.026 10.382 ( 4.566 8.552 0.551) 9.710 10.774 ( 6.412 -10.672 -0.213) 12.452 11.000 ( 4.598 3.425 0.909) 5.805 11.240 ( -1.009 -2.300 2.531) 3.565 11.519 ( 4.346 4.793 -0.347) 6.479 11.646 ( 0.949 -2.262 2.833) 3.747 11.812 ( 1.174 -1.077 -0.676) 1.730 11.906 ( 6.294 5.844 -0.148) 8.590 12.262 ( 2.333 -2.825 3.743) 5.238 12.335 ( 0.207 -7.692 -3.970) 8.659 12.450 ( 0.866 -3.377 1.593) 3.833 12.641 ( -5.128 4.490 -0.357) 6.826 12.939 ( -2.974 -5.262 -2.327) 6.477 13.070 ( -8.469 4.319 1.811) 9.678 13.136 ( -15.698 1.851 0.811) 15.828 13.261 ( -10.397 -6.319 0.512) 12.178 13.388 ( -1.894 0.878 -2.707) 3.419 13.559 ( -2.458 1.378 0.198) 2.825 13.973 ( -0.116 0.904 -0.093) 0.916 14.013 ( 2.010 4.070 5.199) 6.902 14.668 ( -11.370 6.217 -0.161) 12.960 14.871 ( -2.013 4.348 -1.382) 4.986 17.075 ( -0.104 -2.448 -0.763) 2.566 17.359 ( -2.081 5.001 0.027) 5.417 17.590 ( -2.089 -8.270 8.814) 12.266 18.001 ( -7.434 2.437 -8.912) 11.859 18.148 ( 2.381 -6.407 0.442) 6.849 18.343 ( -0.987 -0.681 -2.315) 2.607 18.660 ( 11.538 1.659 4.185) 12.385 18.790 ( 11.215 2.927 -0.577) 11.605 19.158 ( 5.830 -5.638 0.287) 8.115 19.322 ( -5.467 -0.339 -0.127) 5.479 19.507 ( -9.753 7.804 0.699) 12.510 19.785 ( -9.051 -8.108 2.203) 12.349 20.314 ( 12.568 5.431 -4.063) 14.282 20.515 ( -1.631 14.151 2.443) 14.452 20.561 ( -4.012 7.823 -0.177) 8.793 21.301 ( -5.825 1.503 -9.939) 11.618 21.584 ( 3.967 -12.781 -2.291) 13.578 21.758 ( 6.313 -11.902 12.492) 18.373 22.416 ( 0.079 1.473 3.011) 3.353 22.506 ( 1.472 0.520 0.724) 1.721 22.557 ( 1.776 -2.391 0.269) 2.991 23.512 ( 1.677 -0.158 -1.837) 2.493 23.639 ( 3.715 0.853 -0.943) 3.926 24.366 ( -3.738 1.246 -1.661) 4.276 ======================= Grid point 156 (72/78) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -1.167 -4.346 0.125) 4.502 1.142 ( -1.748 -9.198 -0.535) 9.378 1.544 ( 2.574 1.301 -0.841) 3.004 1.720 ( -8.611 7.909 2.272) 11.911 1.849 ( 1.082 2.404 -1.542) 3.054 1.937 ( 3.916 -3.560 5.978) 7.984 2.019 ( -3.774 3.566 -1.638) 5.445 2.085 ( 0.632 -3.386 0.558) 3.489 2.127 ( 2.612 0.223 0.076) 2.623 2.251 ( -0.989 -1.759 0.277) 2.037 2.367 ( 3.782 -0.301 -1.989) 4.284 2.387 ( 13.297 10.323 -4.862) 17.522 2.454 ( 1.391 -11.751 -2.018) 12.004 2.607 ( 6.440 -3.066 0.214) 7.136 2.743 ( 3.040 -3.196 -0.594) 4.451 2.803 ( -2.661 3.537 5.298) 6.904 2.881 ( -1.895 -6.153 -1.323) 6.573 2.961 ( -3.494 3.094 -3.955) 6.117 3.247 ( -0.982 -8.445 -0.611) 8.523 3.398 ( 3.527 -2.251 -5.141) 6.628 3.600 ( 5.585 2.829 0.085) 6.261 3.759 ( -0.931 -7.168 0.302) 7.234 3.840 ( -1.302 -5.116 7.454) 9.134 3.962 ( -3.483 4.812 0.642) 5.975 4.164 ( -2.978 -1.461 -0.571) 3.366 4.264 ( 4.799 -3.177 -1.422) 5.928 4.313 ( 0.024 2.946 4.678) 5.528 4.467 ( -0.478 1.842 -0.584) 1.991 4.519 ( 10.702 -2.673 1.592) 11.145 4.677 ( 2.524 -2.778 4.695) 6.011 4.752 ( 3.195 -1.795 -6.156) 7.164 4.857 ( -4.349 -6.444 -2.485) 8.161 5.205 ( -3.141 2.737 -1.228) 4.343 5.273 ( -4.689 1.929 2.302) 5.568 5.455 ( -0.698 8.182 -3.477) 8.917 5.489 ( -1.398 7.846 1.370) 8.086 5.859 ( -0.220 4.904 0.484) 4.933 6.009 ( 7.709 -1.505 0.705) 7.886 6.124 ( 3.327 -2.950 1.527) 4.701 6.331 ( -0.690 -5.364 -0.693) 5.453 6.415 ( -1.420 5.417 -1.754) 5.868 6.668 ( 1.948 7.246 0.699) 7.536 6.738 ( 2.377 5.308 0.755) 5.865 6.816 ( -9.476 -7.957 -0.899) 12.406 7.073 ( 3.003 -5.369 4.238) 7.470 7.326 ( -1.254 3.049 -5.514) 6.424 7.494 ( -0.536 -6.684 2.134) 7.036 7.584 ( 6.237 -3.229 -0.433) 7.037 7.683 ( 1.181 -8.135 -1.113) 8.295 7.921 ( -2.744 -9.838 0.247) 10.217 8.190 ( 0.649 4.729 0.620) 4.813 8.277 ( 1.704 6.335 -0.003) 6.560 8.411 ( 3.760 0.741 1.880) 4.269 8.537 ( -5.346 1.138 -0.131) 5.468 8.665 ( -4.263 0.760 0.565) 4.366 8.854 ( -1.166 12.545 -3.242) 13.010 9.010 ( 7.018 -6.141 1.225) 9.406 9.252 ( 4.765 -3.382 -0.085) 5.844 9.463 ( -5.779 -2.735 -0.225) 6.398 9.657 ( -5.492 0.817 -1.408) 5.728 9.822 ( 1.362 1.765 0.895) 2.403 10.233 ( 2.526 7.752 -2.017) 8.399 10.332 ( 6.444 4.903 2.134) 8.374 10.887 ( 0.650 6.810 0.370) 6.851 11.030 ( 6.859 -3.766 -0.408) 7.836 11.260 ( -3.491 -2.137 0.768) 4.165 11.437 ( 1.091 6.078 -0.213) 6.178 11.700 ( 2.368 0.727 1.953) 3.154 11.815 ( 7.560 11.222 -0.392) 13.536 11.882 ( -1.991 -7.061 -0.331) 7.344 12.311 ( -3.496 0.518 1.338) 3.779 12.387 ( -1.930 -1.070 -0.685) 2.310 12.502 ( -4.307 -2.156 0.727) 4.871 12.561 ( 2.991 -2.708 -2.268) 4.628 12.859 ( -7.042 8.869 -0.401) 11.332 13.035 ( -0.597 -8.806 -2.365) 9.137 13.102 ( -3.036 -4.578 2.770) 6.152 13.304 ( -6.725 -5.800 1.319) 8.978 13.350 ( -1.252 0.262 -2.577) 2.877 13.521 ( -1.892 -1.647 0.591) 2.577 13.843 ( -3.151 7.265 2.103) 8.194 14.081 ( 6.962 -1.072 0.896) 7.100 14.461 ( -8.393 6.087 1.354) 10.456 14.768 ( -2.093 3.967 -2.083) 4.946 17.109 ( -0.920 -2.253 -0.184) 2.441 17.252 ( -1.869 4.727 -0.695) 5.131 17.770 ( -0.404 -9.401 10.817) 14.337 17.937 ( -1.102 -3.400 -8.998) 9.681 18.280 ( 1.311 -1.576 -1.261) 2.407 18.355 ( -0.373 -6.091 0.964) 6.178 18.737 ( 8.674 5.160 4.412) 11.015 18.798 ( 7.628 5.674 -3.647) 10.182 19.280 ( -7.135 1.113 -1.092) 7.304 19.308 ( -2.525 -3.019 1.430) 4.187 19.365 ( 8.110 -3.672 -0.039) 8.902 19.836 ( -10.228 -7.710 1.659) 12.915 20.071 ( -2.510 17.923 -0.693) 18.111 20.324 ( -5.161 10.123 0.147) 11.364 20.531 ( 10.543 1.677 3.921) 11.373 21.147 ( -8.309 3.032 -12.042) 14.942 21.833 ( 1.632 -12.189 0.573) 12.311 22.015 ( 4.501 -8.688 1.815) 9.952 22.418 ( 3.636 2.200 3.411) 5.449 22.506 ( 0.729 1.166 2.705) 3.034 22.601 ( -2.589 -2.352 1.228) 3.707 23.520 ( 0.776 0.010 -1.360) 1.565 23.641 ( 2.003 1.967 -1.031) 2.991 24.316 ( -1.773 0.765 -0.784) 2.084 ======================= Grid point 157 (73/78) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.771 -5.359 0.182) 5.418 1.264 ( -0.625 -5.522 -0.557) 5.585 1.467 ( -0.598 2.012 -2.492) 3.258 1.619 ( -1.553 -0.400 1.680) 2.322 1.804 ( 0.618 2.991 -2.366) 3.864 1.946 ( 0.622 3.978 -0.406) 4.046 2.035 ( 6.107 0.566 4.634) 7.687 2.124 ( 5.483 2.256 4.025) 7.166 2.163 ( 3.782 -0.313 -2.064) 4.320 2.294 ( 0.032 -2.464 0.440) 2.503 2.367 ( 9.165 2.008 3.871) 10.150 2.439 ( 9.023 1.671 1.799) 9.351 2.510 ( 2.551 2.335 0.466) 3.490 2.624 ( -7.572 3.688 -2.283) 8.726 2.753 ( 1.668 -4.657 -2.772) 5.670 2.772 ( 1.055 3.421 -2.113) 4.157 2.879 ( -0.864 -1.658 -0.154) 1.876 3.117 ( -11.302 -11.368 -4.814) 16.738 3.380 ( -4.047 -2.771 -0.856) 4.979 3.427 ( -3.525 -8.526 -2.823) 9.648 3.638 ( 7.668 0.192 3.628) 8.485 3.765 ( -1.025 -1.286 -1.660) 2.337 3.864 ( -3.192 4.690 1.963) 6.003 3.912 ( -1.147 -3.249 4.716) 5.841 4.010 ( -8.280 4.333 -1.343) 9.441 4.238 ( -5.066 2.850 -0.090) 5.814 4.362 ( 4.005 0.175 -0.853) 4.099 4.441 ( 3.157 2.480 2.419) 4.686 4.597 ( 1.752 2.514 -0.483) 3.102 4.736 ( 2.265 1.436 0.540) 2.736 4.874 ( 5.562 -5.757 -0.787) 8.044 4.986 ( -0.730 -11.099 -2.517) 11.404 5.121 ( 3.335 5.302 -0.919) 6.330 5.215 ( -4.770 1.314 3.524) 6.074 5.335 ( 1.783 5.097 -2.093) 5.791 5.372 ( -2.095 3.526 0.191) 4.106 5.800 ( -2.047 -0.083 0.002) 2.048 6.091 ( 8.409 2.897 1.699) 9.055 6.212 ( 0.789 -0.014 3.469) 3.557 6.284 ( -3.464 0.506 -5.004) 6.107 6.434 ( 1.256 -4.570 -0.239) 4.746 6.509 ( 4.390 12.854 0.373) 13.588 6.674 ( 0.807 6.037 -0.061) 6.091 6.829 ( -11.114 -5.624 0.358) 12.462 7.183 ( 0.989 -5.347 3.491) 6.462 7.254 ( 0.830 2.582 -3.929) 4.775 7.633 ( 1.701 -5.538 -0.322) 5.802 7.699 ( 4.387 -3.566 0.418) 5.669 7.804 ( -0.187 -5.406 -0.487) 5.431 7.969 ( -0.106 3.721 0.610) 3.772 8.160 ( -0.478 6.180 2.444) 6.663 8.223 ( 2.937 1.735 -1.343) 3.666 8.392 ( -4.519 -4.213 -3.771) 7.238 8.490 ( -6.421 -3.819 2.978) 8.042 8.620 ( 3.868 9.335 0.039) 10.105 8.710 ( -2.260 -6.912 -0.503) 7.289 9.162 ( 3.174 -4.182 1.644) 5.501 9.354 ( -5.751 4.958 0.762) 7.631 9.370 ( 5.609 -3.489 -0.538) 6.627 9.531 ( -4.673 5.028 -1.687) 7.068 9.971 ( 3.089 -9.171 0.598) 9.696 10.112 ( -0.313 6.322 -1.123) 6.429 10.345 ( 4.056 -0.805 0.881) 4.228 10.658 ( -0.023 18.364 -0.015) 18.364 11.116 ( -0.028 -0.464 0.120) 0.480 11.270 ( -1.102 -1.499 -0.525) 1.933 11.369 ( 1.450 1.946 -0.273) 2.442 11.635 ( 1.992 11.577 3.412) 12.233 11.684 ( -0.154 5.855 -2.355) 6.313 12.029 ( -0.887 -11.563 0.075) 11.597 12.198 ( -5.308 2.143 -0.459) 5.743 12.467 ( 2.054 -5.251 0.416) 5.654 12.515 ( -1.237 -1.000 -0.088) 1.594 12.549 ( -0.161 8.491 0.100) 8.493 12.761 ( 2.253 -3.795 -1.462) 4.649 13.143 ( 0.125 -2.712 0.376) 2.741 13.189 ( 0.393 -6.249 0.659) 6.296 13.288 ( -3.237 0.913 -0.138) 3.366 13.347 ( 0.886 -1.531 -1.380) 2.243 13.640 ( -2.679 -12.218 1.150) 12.561 13.735 ( -0.528 1.856 1.054) 2.198 14.167 ( 8.473 0.109 -4.083) 9.406 14.308 ( -7.747 3.237 5.189) 9.870 14.688 ( -1.847 2.505 -1.605) 3.501 17.141 ( -0.628 -2.690 0.541) 2.815 17.171 ( -1.068 2.232 -1.011) 2.673 17.923 ( 0.808 -4.031 3.622) 5.480 18.031 ( 0.839 -9.323 -0.715) 9.388 18.248 ( 0.685 3.178 -3.555) 4.817 18.470 ( -0.827 -1.790 2.344) 3.063 18.656 ( 2.047 7.860 -1.066) 8.192 18.721 ( 0.643 7.176 0.471) 7.220 19.254 ( -1.629 -5.254 -0.028) 5.501 19.402 ( 6.610 4.632 0.227) 8.074 19.456 ( 3.070 -1.393 -0.112) 3.373 19.816 ( -6.072 -7.575 -0.325) 9.714 19.929 ( -2.383 -2.872 0.641) 3.787 20.095 ( -5.542 9.857 0.002) 11.308 20.618 ( 8.538 2.153 6.780) 11.113 20.983 ( -7.530 1.616 -10.664) 13.154 22.013 ( 1.616 -6.465 0.536) 6.686 22.149 ( 1.124 -2.535 -0.288) 2.788 22.432 ( 7.129 2.573 0.305) 7.585 22.516 ( 0.822 -0.607 3.240) 3.397 22.580 ( -7.001 -0.348 0.905) 7.068 23.518 ( 0.198 0.423 -0.457) 0.653 23.607 ( 0.292 2.777 -0.935) 2.945 24.301 ( -0.462 -0.474 -0.187) 0.688 ======================= Grid point 158 (74/78) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.000 -2.382 0.000) 2.382 1.355 ( -0.000 -7.001 0.000) 7.001 1.526 ( -0.000 -6.447 0.000) 6.447 1.633 ( 0.000 -1.154 0.000) 1.154 1.762 ( -0.000 1.098 0.000) 1.098 1.878 ( 0.000 3.742 0.000) 3.742 2.064 ( -0.000 1.009 0.000) 1.009 2.140 ( 0.000 1.007 0.000) 1.007 2.194 ( -0.000 0.839 0.000) 0.839 2.331 ( 0.000 -1.462 0.000) 1.462 2.414 ( -0.000 8.366 0.000) 8.366 2.442 ( 0.000 -1.894 -0.000) 1.894 2.467 ( -0.000 3.833 -0.000) 3.833 2.539 ( 0.000 -1.886 0.000) 1.886 2.677 ( 0.000 5.654 0.000) 5.654 2.898 ( 0.000 -4.424 -0.000) 4.424 2.909 ( -0.000 4.329 0.000) 4.329 2.958 ( 0.000 0.428 0.000) 0.428 3.227 ( 0.000 11.226 0.000) 11.226 3.584 ( -0.000 -1.255 0.000) 1.255 3.735 ( 0.000 -8.989 0.000) 8.989 3.791 ( -0.000 0.020 -0.000) 0.020 3.855 ( 0.000 -3.463 0.000) 3.463 3.890 ( 0.000 2.430 0.000) 2.430 3.992 ( -0.000 -3.557 0.000) 3.557 4.204 ( 0.000 -1.871 0.000) 1.871 4.272 ( 0.000 13.414 -0.000) 13.414 4.446 ( -0.000 -2.178 0.000) 2.178 4.470 ( 0.000 11.194 0.000) 11.194 4.736 ( 0.000 1.653 0.000) 1.653 4.876 ( -0.000 4.807 0.000) 4.807 5.087 ( 0.000 0.512 0.000) 0.512 5.144 ( -0.000 -2.158 0.000) 2.158 5.257 ( -0.000 4.795 -0.000) 4.795 5.260 ( 0.000 -12.657 0.000) 12.657 5.367 ( 0.000 -3.482 0.000) 3.482 5.832 ( -0.000 -5.064 0.000) 5.064 6.064 ( -0.000 4.767 0.000) 4.767 6.170 ( 0.000 2.301 0.000) 2.301 6.243 ( 0.000 14.979 0.000) 14.979 6.308 ( -0.000 -0.858 0.000) 0.858 6.550 ( -0.000 7.825 0.000) 7.825 6.567 ( -0.000 -5.161 0.000) 5.161 6.848 ( 0.000 -5.410 0.000) 5.410 7.216 ( 0.000 1.529 0.000) 1.529 7.326 ( -0.000 -7.359 0.000) 7.359 7.674 ( 0.000 2.040 0.000) 2.040 7.717 ( -0.000 4.936 0.000) 4.936 7.866 ( 0.000 -0.646 0.000) 0.646 7.927 ( 0.000 -1.799 0.000) 1.799 8.044 ( 0.000 7.104 0.000) 7.104 8.140 ( -0.000 2.506 0.000) 2.506 8.317 ( -0.000 8.574 0.000) 8.574 8.522 ( 0.000 -1.700 0.000) 1.700 8.762 ( -0.000 -15.246 0.000) 15.246 8.809 ( 0.000 -3.679 0.000) 3.679 9.228 ( -0.000 -0.962 -0.000) 0.962 9.281 ( 0.000 -0.554 0.000) 0.554 9.383 ( -0.000 4.913 0.000) 4.913 9.482 ( 0.000 -3.954 0.000) 3.954 10.016 ( 0.000 4.212 0.000) 4.212 10.087 ( -0.000 -1.440 0.000) 1.440 10.315 ( 0.000 19.285 0.000) 19.285 10.465 ( 0.000 -9.614 0.000) 9.614 11.085 ( -0.000 2.745 0.000) 2.745 11.238 ( -0.000 3.731 0.000) 3.731 11.410 ( 0.000 -3.697 0.000) 3.697 11.452 ( -0.000 8.922 0.000) 8.922 11.591 ( -0.000 3.646 0.000) 3.646 12.151 ( 0.000 -1.014 0.000) 1.014 12.267 ( 0.000 -14.178 0.000) 14.178 12.309 ( -0.000 12.854 0.000) 12.854 12.556 ( 0.000 -0.184 0.000) 0.184 12.612 ( -0.000 -8.781 0.000) 8.781 12.860 ( -0.000 -4.950 0.000) 4.950 13.160 ( -0.000 0.292 0.000) 0.292 13.261 ( -0.000 -0.286 0.000) 0.286 13.285 ( -0.000 -4.340 -0.000) 4.340 13.408 ( 0.000 -4.937 0.000) 4.937 13.704 ( -0.000 -2.108 0.000) 2.108 13.899 ( 0.000 -13.016 0.000) 13.016 14.144 ( 0.000 6.377 -0.000) 6.377 14.304 ( -0.000 -6.433 0.000) 6.433 14.630 ( -0.000 2.609 0.000) 2.609 17.152 ( -0.000 -0.716 0.000) 0.716 17.203 ( 0.000 -4.720 0.000) 4.720 17.968 ( 0.000 -0.595 0.000) 0.595 18.172 ( 0.000 5.512 0.000) 5.512 18.208 ( 0.000 -9.023 -0.000) 9.023 18.333 ( -0.000 11.520 0.000) 11.520 18.603 ( -0.000 3.640 0.000) 3.640 18.620 ( 0.000 4.383 0.000) 4.383 19.179 ( -0.000 12.859 0.000) 12.859 19.364 ( 0.000 -7.171 0.000) 7.171 19.664 ( -0.000 -12.430 0.000) 12.430 19.880 ( 0.000 9.373 0.000) 9.373 19.962 ( -0.000 -3.231 0.000) 3.231 20.041 ( 0.000 -14.575 0.000) 14.575 20.635 ( 0.000 2.813 0.000) 2.813 20.917 ( 0.000 -1.199 0.000) 1.199 22.081 ( 0.000 0.651 0.000) 0.651 22.114 ( -0.000 5.786 0.000) 5.786 22.473 ( -0.000 1.400 0.000) 1.400 22.504 ( 0.000 0.551 0.000) 0.551 22.553 ( 0.000 -2.200 0.000) 2.200 23.508 ( 0.000 0.837 0.000) 0.837 23.555 ( -0.000 2.846 -0.000) 2.846 24.321 ( -0.000 -2.166 0.000) 2.166 ======================= Grid point 164 (75/78) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.306 -0.000 -0.924) 1.600 0.986 ( -0.717 0.000 0.373) 0.808 1.530 ( 3.770 -0.000 0.046) 3.771 1.610 ( -4.154 0.000 1.839) 4.542 1.774 ( -0.373 0.000 -8.932) 8.940 1.840 ( -1.316 0.000 1.889) 2.302 1.851 ( -4.766 0.000 9.446) 10.581 1.984 ( -5.103 0.000 -4.154) 6.580 1.994 ( -7.183 0.000 -2.032) 7.465 2.143 ( -0.780 0.000 1.008) 1.275 2.234 ( 0.229 -0.000 -1.793) 1.807 2.318 ( -2.819 0.000 -1.226) 3.074 2.613 ( 7.695 -0.000 -4.417) 8.873 2.755 ( 3.811 -0.000 -6.524) 7.555 2.865 ( -0.178 0.000 0.997) 1.013 2.913 ( 7.512 -0.000 2.233) 7.837 3.032 ( 2.704 -0.000 11.110) 11.434 3.133 ( -4.457 0.000 1.367) 4.662 3.270 ( 4.602 -0.000 -3.834) 5.990 3.410 ( 8.289 -0.000 -4.556) 9.458 3.423 ( 1.688 -0.000 0.936) 1.930 3.596 ( 10.051 -0.000 -8.742) 13.321 3.789 ( 8.615 -0.000 9.861) 13.094 3.859 ( 17.698 -0.000 1.419) 17.754 3.984 ( 2.733 -0.000 2.807) 3.918 4.219 ( 2.340 -0.000 -3.397) 4.125 4.384 ( -1.514 0.000 -0.312) 1.546 4.420 ( -4.723 0.000 4.147) 6.285 4.602 ( 2.482 -0.000 -1.016) 2.682 4.650 ( -0.489 0.000 -1.062) 1.169 4.672 ( -4.833 0.000 5.127) 7.045 4.789 ( -1.304 0.000 -7.291) 7.407 5.220 ( -5.060 0.000 -1.239) 5.209 5.295 ( -7.949 0.000 -0.522) 7.966 5.683 ( -1.269 0.000 3.545) 3.766 5.687 ( -6.176 0.000 1.820) 6.439 5.849 ( 4.170 -0.000 -2.150) 4.692 6.062 ( 2.570 -0.000 1.378) 2.917 6.158 ( 0.401 -0.000 -1.880) 1.922 6.191 ( -0.748 0.000 1.042) 1.283 6.534 ( 10.794 -0.000 -1.657) 10.921 6.559 ( -2.363 0.000 0.017) 2.363 6.745 ( 0.737 -0.000 2.907) 3.000 6.873 ( -5.428 0.000 2.476) 5.966 6.976 ( -5.164 0.000 -0.318) 5.173 7.296 ( -0.238 0.000 -3.300) 3.309 7.369 ( -3.973 0.000 0.725) 4.039 7.415 ( -4.545 0.000 -1.412) 4.759 7.583 ( 9.060 -0.000 0.586) 9.079 7.798 ( -2.967 0.000 -0.019) 2.967 8.321 ( 4.267 -0.000 0.093) 4.268 8.427 ( -3.254 0.000 -1.350) 3.522 8.460 ( 7.545 -0.000 0.030) 7.545 8.576 ( -4.914 0.000 2.850) 5.681 8.609 ( 14.833 -0.000 -1.307) 14.891 8.965 ( 8.382 -0.000 -0.733) 8.414 9.088 ( -9.981 0.000 0.689) 10.005 9.221 ( 7.821 -0.000 1.460) 7.956 9.333 ( -6.422 0.000 -0.237) 6.427 9.596 ( -7.283 0.000 -3.101) 7.916 10.038 ( -3.070 0.000 -0.139) 3.073 10.408 ( 7.313 -0.000 -0.098) 7.314 10.505 ( -0.302 0.000 0.322) 0.441 10.747 ( 10.471 -0.000 0.936) 10.513 11.059 ( 4.375 -0.000 -4.912) 6.577 11.218 ( -3.407 0.000 6.545) 7.379 11.577 ( -4.027 0.000 1.431) 4.274 11.679 ( 11.015 -0.000 0.239) 11.018 11.772 ( -2.765 0.000 -0.641) 2.839 12.098 ( 12.942 -0.000 0.759) 12.965 12.243 ( 0.237 -0.000 -0.311) 0.390 12.269 ( 3.220 -0.000 1.073) 3.394 12.447 ( 1.736 -0.000 0.120) 1.740 12.638 ( -6.433 0.000 0.030) 6.433 12.841 ( -4.729 0.000 -3.395) 5.822 12.943 ( -14.909 0.000 3.744) 15.372 13.014 ( -17.220 0.000 -1.163) 17.259 13.127 ( -2.067 0.000 1.030) 2.309 13.371 ( -1.685 0.000 -1.806) 2.470 13.547 ( -1.968 0.000 0.036) 1.968 13.998 ( 0.836 -0.000 -0.148) 0.849 14.097 ( 4.830 -0.000 5.284) 7.159 14.569 ( -13.593 0.000 -4.372) 14.279 14.904 ( -1.148 0.000 0.348) 1.200 17.055 ( 0.394 -0.000 -0.324) 0.511 17.444 ( 0.870 -0.000 -0.291) 0.918 17.482 ( -1.946 0.000 10.649) 10.825 17.892 ( -8.935 0.000 -12.448) 15.323 18.116 ( 2.803 -0.000 1.891) 3.381 18.331 ( 0.098 -0.000 -1.910) 1.912 18.803 ( 12.226 -0.000 1.855) 12.366 18.965 ( 13.502 -0.000 3.253) 13.889 19.136 ( 4.153 -0.000 -0.996) 4.270 19.249 ( -7.796 0.000 -1.105) 7.874 19.525 ( -13.303 0.000 2.559) 13.547 19.585 ( -5.983 0.000 0.807) 6.037 20.503 ( 15.082 -0.000 0.638) 15.096 20.601 ( -3.464 0.000 -0.035) 3.464 20.657 ( -2.945 0.000 0.029) 2.945 21.193 ( -9.140 0.000 -11.523) 14.708 21.489 ( 3.778 -0.000 -2.520) 4.541 21.714 ( 2.330 -0.000 9.176) 9.468 22.455 ( 1.802 -0.000 6.211) 6.467 22.522 ( 1.190 -0.000 0.097) 1.194 22.570 ( 2.649 -0.000 -0.084) 2.651 23.516 ( 0.896 -0.000 -2.061) 2.247 23.682 ( 3.272 -0.000 -0.497) 3.310 24.337 ( -2.856 0.000 -1.313) 3.143 ======================= Grid point 165 (76/78) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 1.495 -4.986 -1.129) 5.326 0.992 ( -2.085 -3.358 0.841) 4.041 1.575 ( 2.709 -0.646 0.939) 2.939 1.726 ( -3.500 -2.521 0.771) 4.381 1.790 ( -0.680 -11.756 -1.917) 11.931 1.864 ( -3.325 -3.640 7.513) 8.986 1.976 ( -0.394 -4.710 -2.443) 5.321 1.993 ( -1.923 -9.819 0.947) 10.050 2.048 ( -4.577 -19.462 -1.421) 20.044 2.132 ( -1.021 0.494 -4.042) 4.198 2.199 ( 0.562 4.573 0.008) 4.608 2.235 ( -1.693 1.790 -1.581) 2.928 2.629 ( 5.448 2.858 -3.384) 7.021 2.685 ( 1.841 4.358 -3.691) 6.000 2.845 ( -1.866 2.798 1.652) 3.747 2.916 ( -1.531 10.750 2.248) 11.088 2.964 ( 5.793 5.418 2.978) 8.472 3.125 ( 1.055 1.099 3.567) 3.878 3.222 ( 7.308 7.516 -1.907) 10.656 3.403 ( 2.782 1.790 -5.841) 6.713 3.537 ( -4.547 -10.616 -0.909) 11.585 3.736 ( 10.981 -0.357 -1.615) 11.105 3.817 ( 3.542 2.298 6.492) 7.744 4.004 ( -2.046 1.824 2.425) 3.660 4.124 ( 5.644 -2.817 -0.446) 6.324 4.248 ( 1.854 -2.034 -3.256) 4.263 4.342 ( -3.493 0.749 3.231) 4.817 4.462 ( 3.783 -8.955 -0.868) 9.760 4.554 ( 0.372 2.616 2.897) 3.921 4.639 ( -1.547 -0.644 -0.124) 1.681 4.732 ( -1.536 -4.246 2.452) 5.139 4.752 ( 0.681 -0.075 -5.739) 5.780 5.172 ( -3.691 -0.227 -0.499) 3.732 5.242 ( -3.552 -0.447 -0.329) 3.595 5.570 ( -1.644 6.773 -0.627) 6.998 5.619 ( -0.852 6.628 1.373) 6.822 5.953 ( 3.488 -5.547 1.509) 6.724 6.035 ( 0.384 8.837 -1.234) 8.931 6.109 ( 1.023 -2.575 0.768) 2.875 6.220 ( -1.034 -4.016 -0.674) 4.201 6.557 ( 4.864 8.562 -2.060) 10.060 6.610 ( -3.404 -5.233 0.192) 6.245 6.746 ( 1.632 0.767 2.881) 3.399 6.840 ( -5.227 3.545 0.369) 6.327 6.993 ( 3.342 -11.190 1.585) 11.786 7.259 ( -5.147 1.587 -3.487) 6.416 7.385 ( -1.933 -5.284 0.365) 5.639 7.492 ( 0.418 -9.958 -0.473) 9.978 7.678 ( 6.025 -2.817 0.382) 6.662 7.773 ( -1.493 -0.170 -0.135) 1.509 8.309 ( 1.696 5.105 -0.241) 5.385 8.385 ( 1.420 2.931 -0.865) 3.370 8.453 ( -4.607 4.445 1.853) 6.664 8.507 ( 2.511 0.718 -0.362) 2.637 8.750 ( 0.996 6.526 1.067) 6.687 8.945 ( 1.944 -1.985 0.075) 2.779 9.059 ( 4.386 2.899 -0.659) 5.299 9.275 ( 4.340 1.401 1.290) 4.740 9.319 ( -4.712 -5.915 -0.910) 7.617 9.563 ( -4.505 -3.752 -1.540) 6.062 9.923 ( -2.221 8.059 -0.099) 8.360 10.398 ( 2.392 7.829 -1.324) 8.292 10.461 ( 2.550 3.439 1.563) 4.558 10.893 ( 3.693 -4.452 0.926) 5.858 11.092 ( 5.982 -0.341 -4.911) 7.748 11.196 ( -5.171 -0.217 4.847) 7.091 11.517 ( -1.696 3.363 0.581) 3.811 11.758 ( 2.633 0.128 0.460) 2.676 11.784 ( 1.826 -1.839 -0.554) 2.651 12.098 ( 9.436 11.146 -0.199) 14.605 12.292 ( -1.642 -5.001 -2.774) 5.950 12.317 ( -1.924 0.950 3.864) 4.420 12.457 ( -2.539 1.652 -0.163) 3.034 12.551 ( 0.918 -1.478 -0.378) 1.781 12.835 ( -6.748 -5.593 -0.630) 8.787 12.870 ( -6.709 -1.910 -1.767) 7.196 12.938 ( -4.467 -7.597 2.481) 9.156 13.162 ( -1.220 -4.745 0.173) 4.902 13.348 ( -0.898 0.444 -0.937) 1.371 13.518 ( -1.268 1.410 0.142) 1.902 13.948 ( -0.595 5.933 0.164) 5.965 14.165 ( 7.554 0.878 3.706) 8.460 14.418 ( -10.512 1.324 -3.207) 11.069 14.842 ( -0.651 5.506 -0.193) 5.548 17.071 ( -0.022 -1.476 -0.126) 1.481 17.342 ( -0.437 6.942 0.882) 7.012 17.639 ( 0.455 -9.521 8.895) 13.037 17.811 ( -3.865 -3.392 -10.235) 11.454 18.207 ( 1.768 -6.717 1.275) 7.061 18.317 ( -0.448 0.863 -1.293) 1.618 18.919 ( 10.999 1.816 3.310) 11.629 18.993 ( 8.546 8.367 -1.851) 12.102 19.180 ( -7.722 -2.064 -0.625) 8.017 19.254 ( -1.917 -1.105 0.932) 2.401 19.347 ( -1.379 -2.124 -0.148) 2.536 19.626 ( -6.831 -6.954 1.321) 9.837 20.408 ( 0.265 19.812 -0.394) 19.817 20.473 ( -2.160 10.111 0.098) 10.339 20.674 ( 10.210 0.444 5.051) 11.400 21.051 ( -9.838 1.210 -10.587) 14.503 21.629 ( 1.403 -11.790 -0.609) 11.889 21.870 ( 1.227 -11.359 2.673) 11.733 22.485 ( 2.056 0.607 4.126) 4.650 22.531 ( 0.566 0.201 0.278) 0.662 22.580 ( 0.187 0.934 0.186) 0.971 23.518 ( 0.301 -0.210 -1.237) 1.290 23.692 ( 1.656 1.664 -0.299) 2.367 24.308 ( -1.268 0.427 -0.578) 1.457 ======================= Grid point 166 (77/78) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.000 -3.715 0.000) 3.715 1.123 ( -0.000 -9.585 -0.000) 9.585 1.602 ( 0.001 -0.629 -0.000) 0.629 1.603 ( -0.001 11.282 0.000) 11.282 1.869 ( -0.000 5.065 0.000) 5.065 1.929 ( -0.000 -3.731 0.000) 3.731 2.041 ( -0.000 -3.668 -0.000) 3.668 2.057 ( 0.000 -7.757 0.000) 7.757 2.206 ( 0.000 -0.593 0.000) 0.593 2.208 ( -0.000 -2.515 -0.000) 2.515 2.354 ( -0.000 -16.107 0.000) 16.107 2.389 ( -0.000 -16.883 -0.000) 16.883 2.610 ( 0.000 4.110 -0.000) 4.110 2.634 ( -0.000 12.152 0.000) 12.152 2.721 ( -0.000 -8.597 -0.000) 8.597 2.841 ( -0.000 3.297 -0.000) 3.297 2.848 ( 0.000 7.117 0.000) 7.117 3.075 ( -0.000 10.277 0.000) 10.277 3.235 ( -0.000 -7.617 -0.000) 7.617 3.342 ( -0.000 1.614 0.000) 1.614 3.674 ( -0.000 -6.238 -0.000) 6.238 3.759 ( -0.000 2.806 -0.000) 2.806 3.859 ( -0.000 -2.903 0.000) 2.903 3.927 ( 0.000 4.681 0.000) 4.681 4.059 ( -0.000 6.137 0.000) 6.137 4.281 ( -0.000 4.491 0.000) 4.491 4.337 ( -0.000 -4.918 -0.000) 4.918 4.515 ( -0.000 3.006 0.000) 3.006 4.603 ( -0.000 -0.828 0.000) 0.828 4.739 ( -0.000 -8.640 0.000) 8.640 4.776 ( -0.000 -4.558 0.000) 4.558 4.809 ( -0.000 -6.170 0.000) 6.170 5.166 ( -0.000 -1.528 0.000) 1.528 5.221 ( 0.000 1.911 -0.000) 1.911 5.441 ( -0.000 7.098 0.000) 7.098 5.478 ( -0.000 8.358 -0.000) 8.358 5.857 ( -0.000 7.537 0.000) 7.537 6.129 ( -0.000 -7.400 0.000) 7.400 6.170 ( 0.000 -3.471 0.000) 3.471 6.325 ( -0.000 -7.861 0.000) 7.861 6.364 ( -0.000 12.351 -0.000) 12.351 6.678 ( -0.000 -5.146 0.000) 5.146 6.700 ( -0.000 6.756 0.000) 6.756 6.765 ( -0.000 3.354 0.000) 3.354 7.160 ( -0.000 1.848 0.000) 1.848 7.244 ( -0.000 -6.985 -0.000) 6.985 7.488 ( -0.000 -8.789 0.000) 8.789 7.648 ( -0.000 -6.566 0.000) 6.566 7.743 ( -0.000 -0.347 0.000) 0.347 7.888 ( -0.000 -14.276 -0.000) 14.276 8.193 ( -0.000 6.540 0.000) 6.540 8.300 ( -0.000 5.956 -0.000) 5.956 8.416 ( -0.000 1.445 0.000) 1.445 8.470 ( -0.000 6.426 -0.000) 6.426 8.602 ( -0.000 0.143 0.000) 0.143 8.894 ( -0.000 14.501 0.000) 14.501 9.089 ( -0.000 -6.036 0.000) 6.036 9.325 ( -0.000 -4.218 0.000) 4.218 9.372 ( -0.000 -0.787 -0.000) 0.787 9.577 ( -0.000 1.456 0.000) 1.456 9.844 ( -0.000 -3.317 0.000) 3.317 10.251 ( -0.000 9.316 0.000) 9.316 10.410 ( -0.000 4.255 0.000) 4.255 10.893 ( -0.000 7.453 0.000) 7.453 11.132 ( -0.000 1.464 0.000) 1.464 11.195 ( -0.000 -4.653 -0.000) 4.653 11.441 ( -0.000 4.501 0.000) 4.501 11.741 ( -0.000 3.642 0.000) 3.642 11.858 ( -0.000 -7.328 -0.000) 7.328 11.912 ( -0.000 14.920 0.000) 14.920 12.224 ( -0.000 4.067 0.000) 4.067 12.405 ( -0.000 -7.221 -0.000) 7.221 12.418 ( -0.000 -0.880 0.000) 0.880 12.666 ( -0.000 -6.311 0.000) 6.311 12.733 ( -0.000 7.691 0.000) 7.691 13.031 ( -0.000 -11.255 0.000) 11.255 13.064 ( 0.000 -8.358 -0.000) 8.358 13.237 ( -0.000 -4.144 -0.000) 4.144 13.337 ( -0.000 0.047 0.000) 0.047 13.499 ( -0.000 -1.567 0.000) 1.567 13.819 ( -0.000 7.322 0.000) 7.322 14.216 ( 0.000 -0.154 0.000) 0.154 14.316 ( -0.000 2.883 0.000) 2.883 14.739 ( -0.000 5.019 0.000) 5.019 17.100 ( -0.000 -1.938 -0.000) 1.938 17.230 ( -0.000 5.340 0.000) 5.340 17.825 ( -0.000 -8.485 -0.000) 8.485 17.873 ( -0.000 -8.050 0.000) 8.050 18.285 ( -0.000 1.935 0.000) 1.935 18.363 ( -0.000 -8.795 0.000) 8.795 18.871 ( -0.000 8.816 0.000) 8.816 18.872 ( 0.000 12.492 -0.000) 12.492 19.158 ( -0.000 -3.788 -0.000) 3.788 19.275 ( -0.000 -7.375 0.000) 7.375 19.546 ( -0.000 -12.406 -0.000) 12.406 19.654 ( 0.000 0.771 0.000) 0.771 20.049 ( -0.000 17.930 0.000) 17.930 20.264 ( -0.000 11.927 -0.000) 11.927 20.732 ( -0.000 2.191 0.000) 2.191 20.936 ( -0.000 1.736 -0.000) 1.736 21.852 ( -0.000 -12.205 0.000) 12.205 22.066 ( -0.000 -8.732 0.000) 8.732 22.505 ( -0.000 -0.435 -0.000) 0.435 22.529 ( -0.000 0.534 -0.000) 0.534 22.542 ( 0.000 2.432 0.000) 2.432 23.520 ( -0.000 -0.061 -0.000) 0.061 23.659 ( -0.000 2.860 0.000) 2.860 24.295 ( -0.000 0.187 0.000) 0.187 ======================= Grid point 175 (78/78) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.000 0.000 0.000) 0.000 0.972 ( -0.000 0.000 0.000) 0.000 1.573 ( -0.000 0.000 0.000) 0.000 1.586 ( -0.000 0.000 -0.000) 0.000 1.726 ( 0.000 -0.000 -0.000) 0.000 1.789 ( -0.000 0.000 -0.000) 0.000 1.852 ( -0.000 0.000 0.000) 0.000 1.893 ( -0.000 0.000 -0.000) 0.000 1.934 ( -0.000 0.000 0.000) 0.000 2.140 ( -0.000 0.000 0.000) 0.000 2.226 ( -0.000 0.000 -0.000) 0.000 2.285 ( -0.000 0.000 0.000) 0.000 2.652 ( -0.000 0.000 -0.000) 0.000 2.804 ( 0.000 -0.000 -0.000) 0.000 2.859 ( 0.000 -0.000 -0.000) 0.000 3.009 ( -0.000 0.000 -0.000) 0.000 3.042 ( -0.000 0.000 0.000) 0.000 3.084 ( -0.000 0.000 -0.000) 0.000 3.301 ( -0.000 0.000 0.000) 0.000 3.409 ( -0.000 0.000 0.000) 0.000 3.453 ( -0.000 0.000 -0.000) 0.000 3.813 ( -0.000 0.000 -0.000) 0.000 3.947 ( -0.000 0.000 0.000) 0.000 3.996 ( -0.000 0.000 -0.000) 0.000 4.186 ( -0.000 0.000 -0.000) 0.000 4.222 ( -0.000 0.000 0.000) 0.000 4.261 ( 0.000 -0.000 0.000) 0.000 4.368 ( -0.000 0.000 -0.000) 0.000 4.602 ( -0.000 0.000 0.000) 0.000 4.634 ( 0.000 -0.000 -0.000) 0.000 4.696 ( -0.000 0.000 -0.000) 0.000 4.719 ( -0.000 0.000 0.000) 0.000 5.149 ( -0.000 0.000 0.000) 0.000 5.219 ( 0.000 -0.000 0.000) 0.000 5.626 ( -0.000 0.000 0.000) 0.000 5.678 ( -0.000 0.000 0.000) 0.000 5.892 ( -0.000 0.000 -0.000) 0.000 6.061 ( -0.000 0.000 0.000) 0.000 6.177 ( -0.000 0.000 0.000) 0.000 6.193 ( -0.000 0.000 0.000) 0.000 6.530 ( -0.000 0.000 0.000) 0.000 6.726 ( 0.000 -0.000 0.000) 0.000 6.766 ( -0.000 0.000 -0.000) 0.000 6.800 ( -0.000 0.000 0.000) 0.000 6.854 ( -0.000 0.000 0.000) 0.000 7.292 ( 0.000 -0.000 -0.000) 0.000 7.316 ( -0.000 0.000 0.000) 0.000 7.371 ( -0.000 0.000 0.000) 0.000 7.668 ( -0.000 0.000 -0.000) 0.000 7.789 ( -0.000 0.000 0.000) 0.000 8.360 ( -0.000 0.000 0.000) 0.000 8.389 ( 0.000 -0.000 -0.000) 0.000 8.509 ( -0.000 0.000 0.000) 0.000 8.541 ( -0.000 0.000 0.000) 0.000 8.874 ( 0.000 -0.000 -0.000) 0.000 8.878 ( -0.000 0.000 0.000) 0.000 9.111 ( 0.000 -0.000 0.000) 0.000 9.216 ( -0.000 0.000 0.000) 0.000 9.341 ( -0.000 0.000 0.000) 0.000 9.487 ( -0.000 0.000 -0.000) 0.000 9.994 ( -0.000 0.000 0.000) 0.000 10.490 ( 0.000 -0.000 -0.000) 0.000 10.500 ( -0.000 0.000 0.000) 0.000 10.870 ( 0.000 -0.000 -0.000) 0.000 11.094 ( -0.000 0.000 -0.000) 0.000 11.185 ( -0.000 0.000 0.000) 0.000 11.535 ( -0.000 0.000 0.000) 0.000 11.738 ( -0.000 0.000 -0.000) 0.000 11.826 ( -0.000 0.000 0.000) 0.000 12.218 ( -0.000 0.000 -0.000) 0.000 12.285 ( 0.000 -0.000 -0.000) 0.000 12.342 ( -0.000 0.000 -0.000) 0.000 12.465 ( -0.000 0.000 0.000) 0.000 12.521 ( -0.000 0.000 0.000) 0.000 12.720 ( -0.000 0.000 0.000) 0.000 12.798 ( -0.000 0.000 0.000) 0.000 12.845 ( -0.000 0.000 -0.000) 0.000 13.114 ( -0.000 0.000 0.000) 0.000 13.346 ( -0.000 0.000 0.000) 0.000 13.526 ( -0.000 0.000 0.000) 0.000 14.002 ( -0.000 0.000 0.000) 0.000 14.244 ( 0.000 -0.000 0.000) 0.000 14.340 ( -0.000 0.000 -0.000) 0.000 14.893 ( -0.000 0.000 0.000) 0.000 17.058 ( -0.000 0.000 -0.000) 0.000 17.452 ( -0.000 0.000 0.000) 0.000 17.527 ( -0.000 0.000 0.000) 0.000 17.736 ( -0.000 0.000 -0.000) 0.000 18.155 ( -0.000 0.000 -0.000) 0.000 18.323 ( -0.000 0.000 0.000) 0.000 19.043 ( -0.000 0.000 -0.000) 0.000 19.059 ( 0.000 -0.000 0.000) 0.000 19.185 ( -0.000 0.000 -0.000) 0.000 19.219 ( -0.000 0.000 -0.000) 0.000 19.294 ( 0.000 -0.000 0.000) 0.000 19.516 ( -0.000 0.000 -0.000) 0.000 20.564 ( -0.000 0.000 0.000) 0.000 20.628 ( -0.000 0.000 0.000) 0.000 20.735 ( -0.000 0.000 -0.000) 0.000 20.974 ( -0.000 0.000 -0.000) 0.000 21.519 ( -0.000 0.000 0.000) 0.000 21.759 ( -0.000 0.000 0.000) 0.000 22.506 ( -0.000 0.000 -0.000) 0.000 22.534 ( -0.000 0.000 0.000) 0.000 22.597 ( -0.000 0.000 0.000) 0.000 23.515 ( -0.000 0.000 0.000) 0.000 23.716 ( -0.000 0.000 0.000) 0.000 24.304 ( -0.000 0.000 0.000) 0.000 =================== 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 3/27648 10.0 2.760 3.258 2.510 -0.000 0.468 0.000 3/27648 20.0 1.006 1.042 0.807 0.000 0.020 0.000 3/27648 30.0 0.658 0.655 0.474 0.000 -0.002 0.000 3/27648 40.0 0.513 0.511 0.346 0.000 -0.006 0.000 3/27648 50.0 0.440 0.446 0.281 0.000 -0.008 0.000 3/27648 60.0 0.398 0.415 0.243 0.000 -0.008 0.000 3/27648 70.0 0.372 0.400 0.218 0.000 -0.007 0.000 3/27648 80.0 0.353 0.392 0.200 0.000 -0.007 0.000 3/27648 90.0 0.340 0.386 0.186 0.000 -0.006 0.000 3/27648 100.0 0.329 0.382 0.175 0.000 -0.006 0.000 3/27648 110.0 0.319 0.377 0.166 0.000 -0.005 0.000 3/27648 120.0 0.311 0.372 0.158 0.000 -0.005 0.000 3/27648 130.0 0.303 0.367 0.151 0.000 -0.005 0.000 3/27648 140.0 0.296 0.361 0.146 0.000 -0.004 0.000 3/27648 150.0 0.289 0.355 0.141 0.000 -0.004 0.000 3/27648 160.0 0.283 0.349 0.137 0.000 -0.004 0.000 3/27648 170.0 0.277 0.343 0.133 0.000 -0.003 0.000 3/27648 180.0 0.271 0.336 0.129 0.000 -0.003 0.000 3/27648 190.0 0.265 0.330 0.126 0.000 -0.003 0.000 3/27648 200.0 0.260 0.324 0.123 0.000 -0.003 0.000 3/27648 210.0 0.255 0.318 0.121 0.000 -0.002 0.000 3/27648 220.0 0.249 0.311 0.118 0.000 -0.002 0.000 3/27648 230.0 0.244 0.305 0.116 0.000 -0.002 0.000 3/27648 240.0 0.239 0.299 0.113 0.000 -0.001 0.000 3/27648 250.0 0.235 0.293 0.111 0.000 -0.001 0.000 3/27648 260.0 0.230 0.288 0.109 0.000 -0.001 0.000 3/27648 270.0 0.225 0.282 0.107 0.000 -0.001 0.000 3/27648 280.0 0.221 0.277 0.105 0.000 -0.000 0.000 3/27648 290.0 0.217 0.271 0.103 0.000 -0.000 0.000 3/27648 300.0 0.212 0.266 0.101 0.000 0.000 0.000 3/27648 310.0 0.208 0.261 0.099 0.000 0.000 0.000 3/27648 320.0 0.204 0.256 0.097 0.000 0.000 0.000 3/27648 330.0 0.200 0.251 0.096 0.000 0.001 0.000 3/27648 340.0 0.197 0.246 0.094 0.000 0.001 0.000 3/27648 350.0 0.193 0.242 0.092 0.000 0.001 0.000 3/27648 360.0 0.189 0.237 0.091 0.000 0.001 0.000 3/27648 370.0 0.186 0.233 0.089 0.000 0.001 0.000 3/27648 380.0 0.182 0.228 0.088 0.000 0.001 0.000 3/27648 390.0 0.179 0.224 0.086 0.000 0.001 0.000 3/27648 400.0 0.176 0.220 0.085 0.000 0.001 0.000 3/27648 410.0 0.173 0.216 0.083 0.000 0.001 0.000 3/27648 420.0 0.170 0.213 0.082 0.000 0.001 0.000 3/27648 430.0 0.167 0.209 0.081 0.000 0.001 0.000 3/27648 440.0 0.164 0.205 0.079 0.000 0.001 0.000 3/27648 450.0 0.161 0.202 0.078 0.000 0.001 0.000 3/27648 460.0 0.159 0.199 0.077 0.000 0.002 0.000 3/27648 470.0 0.156 0.195 0.076 0.000 0.002 0.000 3/27648 480.0 0.153 0.192 0.074 0.000 0.002 0.000 3/27648 490.0 0.151 0.189 0.073 0.000 0.002 0.000 3/27648 500.0 0.149 0.186 0.072 0.000 0.002 0.000 3/27648 510.0 0.146 0.183 0.071 0.000 0.002 0.000 3/27648 520.0 0.144 0.180 0.070 0.000 0.002 0.000 3/27648 530.0 0.142 0.177 0.069 0.000 0.002 0.000 3/27648 540.0 0.140 0.175 0.068 0.000 0.002 0.000 3/27648 550.0 0.137 0.172 0.067 0.000 0.002 0.000 3/27648 560.0 0.135 0.170 0.066 0.000 0.002 0.000 3/27648 570.0 0.133 0.167 0.065 0.000 0.002 0.000 3/27648 580.0 0.132 0.165 0.064 0.000 0.002 0.000 3/27648 590.0 0.130 0.162 0.063 0.000 0.002 0.000 3/27648 600.0 0.128 0.160 0.062 0.000 0.002 0.000 3/27648 610.0 0.126 0.158 0.062 0.000 0.002 0.000 3/27648 620.0 0.124 0.156 0.061 0.000 0.002 0.000 3/27648 630.0 0.123 0.153 0.060 0.000 0.002 0.000 3/27648 640.0 0.121 0.151 0.059 0.000 0.002 0.000 3/27648 650.0 0.119 0.149 0.058 0.000 0.002 0.000 3/27648 660.0 0.118 0.147 0.058 0.000 0.002 0.000 3/27648 670.0 0.116 0.145 0.057 0.000 0.002 0.000 3/27648 680.0 0.115 0.144 0.056 0.000 0.002 0.000 3/27648 690.0 0.113 0.142 0.056 0.000 0.002 0.000 3/27648 700.0 0.112 0.140 0.055 0.000 0.002 0.000 3/27648 710.0 0.110 0.138 0.054 0.000 0.002 0.000 3/27648 720.0 0.109 0.136 0.054 0.000 0.002 0.000 3/27648 730.0 0.108 0.135 0.053 0.000 0.002 0.000 3/27648 740.0 0.106 0.133 0.052 0.000 0.002 0.000 3/27648 750.0 0.105 0.132 0.052 0.000 0.002 0.000 3/27648 760.0 0.104 0.130 0.051 0.000 0.002 0.000 3/27648 770.0 0.103 0.128 0.051 0.000 0.002 0.000 3/27648 780.0 0.101 0.127 0.050 0.000 0.002 0.000 3/27648 790.0 0.100 0.126 0.049 0.000 0.002 0.000 3/27648 800.0 0.099 0.124 0.049 0.000 0.002 0.000 3/27648 810.0 0.098 0.123 0.048 0.000 0.002 0.000 3/27648 820.0 0.097 0.121 0.048 0.000 0.002 0.000 3/27648 830.0 0.096 0.120 0.047 0.000 0.002 0.000 3/27648 840.0 0.095 0.119 0.047 0.000 0.002 0.000 3/27648 850.0 0.094 0.117 0.046 0.000 0.002 0.000 3/27648 860.0 0.093 0.116 0.046 0.000 0.002 0.000 3/27648 870.0 0.092 0.115 0.045 0.000 0.002 0.000 3/27648 880.0 0.091 0.114 0.045 0.000 0.002 0.000 3/27648 890.0 0.090 0.112 0.044 0.000 0.002 0.000 3/27648 900.0 0.089 0.111 0.044 0.000 0.001 0.000 3/27648 910.0 0.088 0.110 0.043 0.000 0.001 0.000 3/27648 920.0 0.087 0.109 0.043 0.000 0.001 0.000 3/27648 930.0 0.086 0.108 0.043 0.000 0.001 0.000 3/27648 940.0 0.085 0.107 0.042 0.000 0.001 0.000 3/27648 950.0 0.085 0.106 0.042 0.000 0.001 0.000 3/27648 960.0 0.084 0.105 0.041 0.000 0.001 0.000 3/27648 970.0 0.083 0.104 0.041 0.000 0.001 0.000 3/27648 980.0 0.082 0.103 0.041 0.000 0.001 0.000 3/27648 990.0 0.081 0.102 0.040 0.000 0.001 0.000 3/27648 1000.0 0.081 0.101 0.040 0.000 0.001 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:42:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|