----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.440453110000901 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): *1 O 0.27953064629608 0.88264059832820 0.40557999344668 15.999 2 O 0.72046935370392 0.38264059832820 0.09442000655332 15.999 3 O 0.72046935370392 0.11735940167180 0.59442000655332 15.999 4 O 0.27953064629608 0.61735940167180 0.90557999344668 15.999 *5 O 0.88590706571489 0.82785667147136 0.45626720396695 15.999 6 O 0.11409293428511 0.32785667147136 0.04373279603305 15.999 7 O 0.11409293428511 0.17214332852864 0.54373279603305 15.999 8 O 0.88590706571489 0.67214332852864 0.95626720396695 15.999 *9 O 0.36812356912388 0.79159993163811 0.58741715329141 15.999 10 O 0.63187643087612 0.29159993163811 0.91258284670859 15.999 11 O 0.63187643087612 0.20840006836189 0.41258284670859 15.999 12 O 0.36812356912388 0.70840006836189 0.08741715329141 15.999 *13 O 0.27497712153215 0.55422195616468 0.27957453044882 15.999 14 O 0.72502287846785 0.05422195616468 0.22042546955118 15.999 15 O 0.72502287846785 0.44577804383532 0.72042546955118 15.999 16 O 0.27497712153215 0.94577804383532 0.77957453044882 15.999 *17 O 0.18232241490031 0.89505069491081 0.94156803596007 15.999 18 O 0.81767758509969 0.39505069491081 0.55843196403993 15.999 19 O 0.81767758509969 0.10494930508919 0.05843196403993 15.999 20 O 0.18232241490031 0.60494930508919 0.44156803596007 15.999 *21 O 0.00983505612825 0.14019541705158 0.84176702954948 15.999 22 O 0.99016494387175 0.64019541705158 0.65823297045052 15.999 23 O 0.99016494387175 0.85980458294842 0.15823297045052 15.999 24 O 0.00983505612825 0.35980458294842 0.34176702954948 15.999 *25 O 0.80128628176036 0.88838752888849 0.76436776142691 15.999 26 O 0.19871371823964 0.38838752888849 0.73563223857309 15.999 27 O 0.19871371823964 0.11161247111151 0.23563223857309 15.999 28 O 0.80128628176036 0.61161247111151 0.26436776142691 15.999 *29 P 0.17436727902379 0.78469703704449 0.47454674002262 30.974 30 P 0.82563272097621 0.28469703704449 0.02545325997738 30.974 31 P 0.82563272097621 0.21530296295551 0.52545325997738 30.974 32 P 0.17436727902379 0.71530296295551 0.97454674002262 30.974 *33 P 0.06734935425096 0.53023473057914 0.32647701393199 30.974 34 P 0.93265064574904 0.03023473057914 0.17352298606801 30.974 35 P 0.93265064574904 0.46976526942086 0.67352298606801 30.974 36 P 0.06734935425096 0.96976526942086 0.82647701393199 30.974 *37 Sr 0.48749264067495 0.67414752216816 0.77071014543909 87.620 38 Sr 0.51250735932505 0.17414752216817 0.72928985456091 87.620 39 Sr 0.51250735932505 0.32585247783184 0.22928985456091 87.620 40 Sr 0.48749264067495 0.82585247783184 0.27071014543909 87.620 *41 Cd 0.77906527648624 0.64229472339562 0.09455954088144 112.411 42 Cd 0.22093472351376 0.14229472339562 0.40544045911856 112.411 43 Cd 0.22093472351376 0.35770527660438 0.90544045911856 112.411 44 Cd 0.77906527648624 0.85770527660438 0.59455954088144 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.440453110000901 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): *1 O 0.27953064629608 0.88264059832820 0.40557999344668 15.999 > 1 2 O 0.72046935370392 0.38264059832820 0.09442000655332 15.999 > 2 3 O 0.72046935370392 0.11735940167180 0.59442000655332 15.999 > 3 4 O 0.27953064629608 0.61735940167180 0.90557999344668 15.999 > 4 *5 O 0.88590706571489 0.82785667147136 0.45626720396695 15.999 > 5 6 O 0.11409293428511 0.32785667147136 0.04373279603305 15.999 > 6 7 O 0.11409293428511 0.17214332852864 0.54373279603305 15.999 > 7 8 O 0.88590706571489 0.67214332852864 0.95626720396695 15.999 > 8 *9 O 0.36812356912388 0.79159993163811 0.58741715329141 15.999 > 9 10 O 0.63187643087612 0.29159993163811 0.91258284670859 15.999 > 10 11 O 0.63187643087612 0.20840006836189 0.41258284670859 15.999 > 11 12 O 0.36812356912388 0.70840006836189 0.08741715329141 15.999 > 12 *13 O 0.27497712153215 0.55422195616468 0.27957453044882 15.999 > 13 14 O 0.72502287846785 0.05422195616468 0.22042546955118 15.999 > 14 15 O 0.72502287846785 0.44577804383532 0.72042546955118 15.999 > 15 16 O 0.27497712153215 0.94577804383532 0.77957453044882 15.999 > 16 *17 O 0.18232241490031 0.89505069491081 0.94156803596007 15.999 > 17 18 O 0.81767758509969 0.39505069491081 0.55843196403993 15.999 > 18 19 O 0.81767758509969 0.10494930508919 0.05843196403993 15.999 > 19 20 O 0.18232241490031 0.60494930508919 0.44156803596007 15.999 > 20 *21 O 0.00983505612825 0.14019541705158 0.84176702954948 15.999 > 21 22 O 0.99016494387175 0.64019541705158 0.65823297045052 15.999 > 22 23 O 0.99016494387175 0.85980458294842 0.15823297045052 15.999 > 23 24 O 0.00983505612825 0.35980458294842 0.34176702954948 15.999 > 24 *25 O 0.80128628176036 0.88838752888849 0.76436776142691 15.999 > 25 26 O 0.19871371823964 0.38838752888849 0.73563223857309 15.999 > 26 27 O 0.19871371823964 0.11161247111151 0.23563223857309 15.999 > 27 28 O 0.80128628176036 0.61161247111151 0.26436776142691 15.999 > 28 *29 P 0.17436727902379 0.78469703704449 0.47454674002262 30.974 > 29 30 P 0.82563272097621 0.28469703704449 0.02545325997738 30.974 > 30 31 P 0.82563272097621 0.21530296295551 0.52545325997738 30.974 > 31 32 P 0.17436727902379 0.71530296295551 0.97454674002262 30.974 > 32 *33 P 0.06734935425096 0.53023473057914 0.32647701393199 30.974 > 33 34 P 0.93265064574904 0.03023473057914 0.17352298606801 30.974 > 34 35 P 0.93265064574904 0.46976526942086 0.67352298606801 30.974 > 35 36 P 0.06734935425096 0.96976526942086 0.82647701393199 30.974 > 36 *37 Sr 0.48749264067495 0.67414752216816 0.77071014543909 87.620 > 37 38 Sr 0.51250735932505 0.17414752216817 0.72928985456091 87.620 > 38 39 Sr 0.51250735932505 0.32585247783184 0.22928985456091 87.620 > 39 40 Sr 0.48749264067495 0.82585247783184 0.27071014543909 87.620 > 40 *41 Cd 0.77906527648624 0.64229472339562 0.09455954088144 112.411 > 41 42 Cd 0.22093472351376 0.14229472339562 0.40544045911856 112.411 > 42 43 Cd 0.22093472351376 0.35770527660438 0.90544045911856 112.411 > 43 44 Cd 0.77906527648624 0.85770527660438 0.59455954088144 112.411 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.880906220001801 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): *1 O 0.13976532314804 0.88264059832820 0.40557999344668 15.999 > 1 2 O 0.63976532314804 0.88264059832820 0.40557999344668 15.999 > 1 3 O 0.36023467685196 0.38264059832820 0.09442000655332 15.999 > 2 4 O 0.86023467685196 0.38264059832820 0.09442000655332 15.999 > 2 5 O 0.36023467685196 0.11735940167180 0.59442000655332 15.999 > 3 6 O 0.86023467685196 0.11735940167180 0.59442000655332 15.999 > 3 7 O 0.13976532314804 0.61735940167180 0.90557999344668 15.999 > 4 8 O 0.63976532314804 0.61735940167180 0.90557999344668 15.999 > 4 *9 O 0.44295353285745 0.82785667147136 0.45626720396695 15.999 > 5 10 O 0.94295353285745 0.82785667147136 0.45626720396695 15.999 > 5 11 O 0.05704646714255 0.32785667147136 0.04373279603305 15.999 > 6 12 O 0.55704646714255 0.32785667147136 0.04373279603305 15.999 > 6 13 O 0.05704646714255 0.17214332852864 0.54373279603305 15.999 > 7 14 O 0.55704646714255 0.17214332852864 0.54373279603305 15.999 > 7 15 O 0.44295353285745 0.67214332852864 0.95626720396695 15.999 > 8 16 O 0.94295353285745 0.67214332852864 0.95626720396695 15.999 > 8 *17 O 0.18406178456194 0.79159993163811 0.58741715329141 15.999 > 9 18 O 0.68406178456194 0.79159993163811 0.58741715329141 15.999 > 9 19 O 0.31593821543806 0.29159993163811 0.91258284670859 15.999 > 10 20 O 0.81593821543806 0.29159993163811 0.91258284670859 15.999 > 10 21 O 0.31593821543806 0.20840006836189 0.41258284670859 15.999 > 11 22 O 0.81593821543806 0.20840006836189 0.41258284670859 15.999 > 11 23 O 0.18406178456194 0.70840006836189 0.08741715329141 15.999 > 12 24 O 0.68406178456194 0.70840006836189 0.08741715329141 15.999 > 12 *25 O 0.13748856076608 0.55422195616468 0.27957453044882 15.999 > 13 26 O 0.63748856076608 0.55422195616468 0.27957453044882 15.999 > 13 27 O 0.36251143923392 0.05422195616468 0.22042546955118 15.999 > 14 28 O 0.86251143923392 0.05422195616468 0.22042546955118 15.999 > 14 29 O 0.36251143923392 0.44577804383532 0.72042546955118 15.999 > 15 30 O 0.86251143923392 0.44577804383532 0.72042546955118 15.999 > 15 31 O 0.13748856076608 0.94577804383532 0.77957453044882 15.999 > 16 32 O 0.63748856076608 0.94577804383532 0.77957453044882 15.999 > 16 *33 O 0.09116120745016 0.89505069491081 0.94156803596007 15.999 > 17 34 O 0.59116120745016 0.89505069491081 0.94156803596007 15.999 > 17 35 O 0.40883879254984 0.39505069491081 0.55843196403993 15.999 > 18 36 O 0.90883879254984 0.39505069491081 0.55843196403993 15.999 > 18 37 O 0.40883879254984 0.10494930508919 0.05843196403993 15.999 > 19 38 O 0.90883879254984 0.10494930508919 0.05843196403993 15.999 > 19 39 O 0.09116120745016 0.60494930508919 0.44156803596007 15.999 > 20 40 O 0.59116120745016 0.60494930508919 0.44156803596007 15.999 > 20 *41 O 0.00491752806412 0.14019541705158 0.84176702954948 15.999 > 21 42 O 0.50491752806412 0.14019541705158 0.84176702954948 15.999 > 21 43 O 0.49508247193588 0.64019541705158 0.65823297045052 15.999 > 22 44 O 0.99508247193588 0.64019541705158 0.65823297045052 15.999 > 22 45 O 0.49508247193588 0.85980458294842 0.15823297045052 15.999 > 23 46 O 0.99508247193588 0.85980458294842 0.15823297045052 15.999 > 23 47 O 0.00491752806412 0.35980458294842 0.34176702954948 15.999 > 24 48 O 0.50491752806412 0.35980458294842 0.34176702954948 15.999 > 24 *49 O 0.40064314088018 0.88838752888849 0.76436776142691 15.999 > 25 50 O 0.90064314088018 0.88838752888849 0.76436776142691 15.999 > 25 51 O 0.09935685911982 0.38838752888849 0.73563223857309 15.999 > 26 52 O 0.59935685911982 0.38838752888849 0.73563223857309 15.999 > 26 53 O 0.09935685911982 0.11161247111151 0.23563223857309 15.999 > 27 54 O 0.59935685911982 0.11161247111151 0.23563223857309 15.999 > 27 55 O 0.40064314088018 0.61161247111151 0.26436776142691 15.999 > 28 56 O 0.90064314088018 0.61161247111151 0.26436776142691 15.999 > 28 *57 P 0.08718363951190 0.78469703704449 0.47454674002262 30.974 > 29 58 P 0.58718363951190 0.78469703704449 0.47454674002262 30.974 > 29 59 P 0.41281636048810 0.28469703704449 0.02545325997738 30.974 > 30 60 P 0.91281636048810 0.28469703704449 0.02545325997738 30.974 > 30 61 P 0.41281636048810 0.21530296295551 0.52545325997738 30.974 > 31 62 P 0.91281636048810 0.21530296295551 0.52545325997738 30.974 > 31 63 P 0.08718363951190 0.71530296295551 0.97454674002262 30.974 > 32 64 P 0.58718363951190 0.71530296295551 0.97454674002262 30.974 > 32 *65 P 0.03367467712548 0.53023473057914 0.32647701393199 30.974 > 33 66 P 0.53367467712548 0.53023473057914 0.32647701393199 30.974 > 33 67 P 0.46632532287452 0.03023473057914 0.17352298606801 30.974 > 34 68 P 0.96632532287452 0.03023473057914 0.17352298606801 30.974 > 34 69 P 0.46632532287452 0.46976526942086 0.67352298606801 30.974 > 35 70 P 0.96632532287452 0.46976526942086 0.67352298606801 30.974 > 35 71 P 0.03367467712548 0.96976526942086 0.82647701393199 30.974 > 36 72 P 0.53367467712548 0.96976526942086 0.82647701393199 30.974 > 36 *73 Sr 0.24374632033747 0.67414752216816 0.77071014543909 87.620 > 37 74 Sr 0.74374632033747 0.67414752216816 0.77071014543909 87.620 > 37 75 Sr 0.25625367966253 0.17414752216817 0.72928985456091 87.620 > 38 76 Sr 0.75625367966253 0.17414752216817 0.72928985456091 87.620 > 38 77 Sr 0.25625367966253 0.32585247783184 0.22928985456091 87.620 > 39 78 Sr 0.75625367966253 0.32585247783184 0.22928985456091 87.620 > 39 79 Sr 0.24374632033747 0.82585247783184 0.27071014543909 87.620 > 40 80 Sr 0.74374632033747 0.82585247783184 0.27071014543909 87.620 > 40 *81 Cd 0.38953263824312 0.64229472339562 0.09455954088144 112.411 > 41 82 Cd 0.88953263824312 0.64229472339562 0.09455954088144 112.411 > 41 83 Cd 0.11046736175688 0.14229472339562 0.40544045911856 112.411 > 42 84 Cd 0.61046736175688 0.14229472339562 0.40544045911856 112.411 > 42 85 Cd 0.11046736175688 0.35770527660438 0.90544045911856 112.411 > 43 86 Cd 0.61046736175688 0.35770527660438 0.90544045911856 112.411 > 43 87 Cd 0.38953263824312 0.85770527660438 0.59455954088144 112.411 > 44 88 Cd 0.88953263824312 0.85770527660438 0.59455954088144 112.411 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9130659 0.0000000 -0.0120325 0.0000000 2.9341215 0.0000000 -0.0120331 0.0000000 2.8854633 -------------------------- Born effective charges -------------------------- 1 O -1.6348809 -0.2651033 0.3670723 -0.3880060 -1.8325038 0.4393098 0.4296196 0.2055828 -1.5928807 2 O -1.6348809 0.2651033 0.3670723 0.3880060 -1.8325038 -0.4393098 0.4296196 -0.2055828 -1.5928807 3 O -1.6348809 -0.2651033 0.3670723 -0.3880060 -1.8325038 0.4393098 0.4296196 0.2055828 -1.5928807 4 O -1.6348809 0.2651033 0.3670723 0.3880060 -1.8325038 -0.4393098 0.4296196 -0.2055828 -1.5928807 5 O -2.3342479 0.3170966 -0.1149218 0.2743072 -1.0862580 0.0394990 0.2282193 -0.1591902 -1.4846795 6 O -2.3342479 -0.3170966 -0.1149218 -0.2743072 -1.0862580 -0.0394990 0.2282193 0.1591902 -1.4846795 7 O -2.3342479 0.3170966 -0.1149218 0.2743072 -1.0862580 0.0394990 0.2282193 -0.1591902 -1.4846795 8 O -2.3342479 -0.3170966 -0.1149218 -0.2743072 -1.0862580 -0.0394990 0.2282193 0.1591902 -1.4846795 9 O -1.6807697 -0.1313999 -0.4718374 -0.1781111 -1.0619209 0.0917065 -0.4022066 0.0316940 -2.2533089 10 O -1.6807697 0.1313999 -0.4718374 0.1781111 -1.0619209 -0.0917065 -0.4022066 -0.0316940 -2.2533089 11 O -1.6807697 -0.1313999 -0.4718374 -0.1781111 -1.0619209 0.0917065 -0.4022066 0.0316940 -2.2533089 12 O -1.6807697 0.1313999 -0.4718374 0.1781111 -1.0619209 -0.0917065 -0.4022066 -0.0316940 -2.2533089 13 O -2.0704666 -0.0902783 0.3435179 -0.0258308 -1.5355079 -0.0711429 0.4198207 0.0725338 -1.2834102 14 O -2.0704666 0.0902783 0.3435179 0.0258308 -1.5355079 0.0711429 0.4198207 -0.0725338 -1.2834102 15 O -2.0704666 -0.0902783 0.3435179 -0.0258308 -1.5355079 -0.0711429 0.4198207 0.0725338 -1.2834102 16 O -2.0704666 0.0902783 0.3435179 0.0258308 -1.5355079 0.0711429 0.4198207 -0.0725338 -1.2834102 17 O -0.8652233 -0.1320223 0.0415275 -0.1016937 -2.3391432 1.0631866 0.1050191 1.1026240 -2.0495088 18 O -0.8652233 0.1320223 0.0415275 0.1016937 -2.3391432 -1.0631866 0.1050191 -1.1026240 -2.0495088 19 O -0.8652233 -0.1320223 0.0415275 -0.1016937 -2.3391432 1.0631866 0.1050191 1.1026240 -2.0495088 20 O -0.8652233 0.1320223 0.0415275 0.1016937 -2.3391432 -1.0631866 0.1050191 -1.1026240 -2.0495088 21 O -1.2997967 0.1621594 -0.0797253 0.2924546 -2.5445065 -0.2321214 -0.0823074 -0.3659630 -1.1993646 22 O -1.2997967 -0.1621594 -0.0797253 -0.2924546 -2.5445065 0.2321214 -0.0823074 0.3659630 -1.1993646 23 O -1.2997967 0.1621594 -0.0797253 0.2924546 -2.5445065 -0.2321214 -0.0823074 -0.3659630 -1.1993646 24 O -1.2997967 -0.1621594 -0.0797253 -0.2924546 -2.5445065 0.2321214 -0.0823074 0.3659630 -1.1993646 25 O -1.7393686 -0.3799774 -0.2845179 -0.3359969 -1.6669575 -0.1683668 -0.4114870 -0.3154748 -1.7323743 26 O -1.7393686 0.3799774 -0.2845179 0.3359969 -1.6669575 0.1683668 -0.4114870 0.3154748 -1.7323743 27 O -1.7393686 -0.3799774 -0.2845179 -0.3359969 -1.6669575 -0.1683668 -0.4114870 -0.3154748 -1.7323743 28 O -1.7393686 0.3799774 -0.2845179 0.3359969 -1.6669575 0.1683668 -0.4114870 0.3154748 -1.7323743 29 P 3.4324096 -0.0065416 0.4498660 0.2156413 3.4035523 -0.1963499 -0.3339655 0.7168678 3.3185261 30 P 3.4324096 0.0065416 0.4498660 -0.2156413 3.4035523 0.1963499 -0.3339655 -0.7168678 3.3185261 31 P 3.4324096 -0.0065416 0.4498660 0.2156413 3.4035523 -0.1963499 -0.3339655 0.7168678 3.3185261 32 P 3.4324096 0.0065416 0.4498660 -0.2156413 3.4035523 0.1963499 -0.3339655 -0.7168678 3.3185261 33 P 3.0205379 0.0413933 -0.1047662 0.2286250 3.7773498 0.6369679 0.0282286 -0.1328527 3.3818110 34 P 3.0205379 -0.0413933 -0.1047662 -0.2286250 3.7773498 -0.6369679 0.0282286 0.1328527 3.3818110 35 P 3.0205379 0.0413933 -0.1047662 0.2286250 3.7773498 0.6369679 0.0282286 -0.1328527 3.3818110 36 P 3.0205379 -0.0413933 -0.1047662 -0.2286250 3.7773498 -0.6369679 0.0282286 0.1328527 3.3818110 37 Sr 2.8417336 0.0332167 0.0384201 0.1328947 2.4510992 -0.0249728 0.0102966 -0.0798538 2.5255094 38 Sr 2.8417336 -0.0332167 0.0384201 -0.1328947 2.4510992 0.0249728 0.0102966 0.0798538 2.5255094 39 Sr 2.8417336 0.0332167 0.0384201 0.1328947 2.4510992 -0.0249728 0.0102966 -0.0798538 2.5255094 40 Sr 2.8417336 -0.0332167 0.0384201 -0.1328947 2.4510992 0.0249728 0.0102966 0.0798538 2.5255094 41 Cd 2.3300726 0.0647251 -0.1846351 0.1993412 2.4347966 0.1062105 0.0087625 0.1330341 2.3696807 42 Cd 2.3300726 -0.0647251 -0.1846351 -0.1993412 2.4347966 -0.1062105 0.0087625 -0.1330341 2.3696807 43 Cd 2.3300726 0.0647251 -0.1846351 0.1993412 2.4347966 0.1062105 0.0087625 0.1330341 2.3696807 44 Cd 2.3300726 -0.0647251 -0.1846351 -0.1993412 2.4347966 -0.1062105 0.0087625 -0.1330341 2.3696807 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.910 Solver_block: 200 / 1360 - Time: 0.794 Solver_block: 300 / 1360 - Time: 0.800 Solver_block: 400 / 1360 - Time: 0.792 Solver_block: 500 / 1360 - Time: 0.797 Solver_block: 600 / 1360 - Time: 0.796 Solver_block: 700 / 1360 - Time: 0.809 Solver_block: 800 / 1360 - Time: 0.797 Solver_block: 900 / 1360 - Time: 0.797 Solver_block: 1000 / 1360 - Time: 0.795 Solver_block: 1100 / 1360 - Time: 0.797 Solver_block: 1200 / 1360 - Time: 0.797 Solver_block: 1300 / 1360 - Time: 0.796 Solver_block: 1360 / 1360 - Time: 0.526 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.286 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:38:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:38:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.440453110000901 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): 1 O 0.27953064629608 0.88264059832820 0.40557999344668 15.999 2 O 0.72046935370392 0.38264059832820 0.09442000655332 15.999 3 O 0.72046935370392 0.11735940167180 0.59442000655332 15.999 4 O 0.27953064629608 0.61735940167180 0.90557999344668 15.999 5 O 0.88590706571489 0.82785667147136 0.45626720396695 15.999 6 O 0.11409293428511 0.32785667147136 0.04373279603305 15.999 7 O 0.11409293428511 0.17214332852864 0.54373279603305 15.999 8 O 0.88590706571489 0.67214332852864 0.95626720396695 15.999 9 O 0.36812356912388 0.79159993163811 0.58741715329141 15.999 10 O 0.63187643087612 0.29159993163811 0.91258284670859 15.999 11 O 0.63187643087612 0.20840006836189 0.41258284670859 15.999 12 O 0.36812356912388 0.70840006836189 0.08741715329141 15.999 13 O 0.27497712153215 0.55422195616468 0.27957453044882 15.999 14 O 0.72502287846785 0.05422195616468 0.22042546955118 15.999 15 O 0.72502287846785 0.44577804383532 0.72042546955118 15.999 16 O 0.27497712153215 0.94577804383532 0.77957453044882 15.999 17 O 0.18232241490031 0.89505069491081 0.94156803596007 15.999 18 O 0.81767758509969 0.39505069491081 0.55843196403993 15.999 19 O 0.81767758509969 0.10494930508919 0.05843196403993 15.999 20 O 0.18232241490031 0.60494930508919 0.44156803596007 15.999 21 O 0.00983505612825 0.14019541705158 0.84176702954948 15.999 22 O 0.99016494387175 0.64019541705158 0.65823297045052 15.999 23 O 0.99016494387175 0.85980458294842 0.15823297045052 15.999 24 O 0.00983505612825 0.35980458294842 0.34176702954948 15.999 25 O 0.80128628176036 0.88838752888849 0.76436776142691 15.999 26 O 0.19871371823964 0.38838752888849 0.73563223857309 15.999 27 O 0.19871371823964 0.11161247111151 0.23563223857309 15.999 28 O 0.80128628176036 0.61161247111151 0.26436776142691 15.999 29 P 0.17436727902379 0.78469703704449 0.47454674002262 30.974 30 P 0.82563272097621 0.28469703704449 0.02545325997738 30.974 31 P 0.82563272097621 0.21530296295551 0.52545325997738 30.974 32 P 0.17436727902379 0.71530296295551 0.97454674002262 30.974 33 P 0.06734935425096 0.53023473057914 0.32647701393199 30.974 34 P 0.93265064574904 0.03023473057914 0.17352298606801 30.974 35 P 0.93265064574904 0.46976526942086 0.67352298606801 30.974 36 P 0.06734935425096 0.96976526942086 0.82647701393199 30.974 37 Sr 0.48749264067495 0.67414752216816 0.77071014543909 87.620 38 Sr 0.51250735932505 0.17414752216817 0.72928985456091 87.620 39 Sr 0.51250735932505 0.32585247783184 0.22928985456091 87.620 40 Sr 0.48749264067495 0.82585247783184 0.27071014543909 87.620 41 Cd 0.77906527648624 0.64229472339562 0.09455954088144 112.411 42 Cd 0.22093472351376 0.14229472339562 0.40544045911856 112.411 43 Cd 0.22093472351376 0.35770527660438 0.90544045911856 112.411 44 Cd 0.77906527648624 0.85770527660438 0.59455954088144 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.880906220001801 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): 1 O 0.13976532314804 0.88264059832820 0.40557999344668 15.999 > 1 2 O 0.63976532314804 0.88264059832820 0.40557999344668 15.999 > 1 3 O 0.36023467685196 0.38264059832820 0.09442000655332 15.999 > 3 4 O 0.86023467685196 0.38264059832820 0.09442000655332 15.999 > 3 5 O 0.36023467685196 0.11735940167180 0.59442000655332 15.999 > 5 6 O 0.86023467685196 0.11735940167180 0.59442000655332 15.999 > 5 7 O 0.13976532314804 0.61735940167180 0.90557999344668 15.999 > 7 8 O 0.63976532314804 0.61735940167180 0.90557999344668 15.999 > 7 9 O 0.44295353285745 0.82785667147136 0.45626720396695 15.999 > 9 10 O 0.94295353285745 0.82785667147136 0.45626720396695 15.999 > 9 11 O 0.05704646714255 0.32785667147136 0.04373279603305 15.999 > 11 12 O 0.55704646714255 0.32785667147136 0.04373279603305 15.999 > 11 13 O 0.05704646714255 0.17214332852864 0.54373279603305 15.999 > 13 14 O 0.55704646714255 0.17214332852864 0.54373279603305 15.999 > 13 15 O 0.44295353285745 0.67214332852864 0.95626720396695 15.999 > 15 16 O 0.94295353285745 0.67214332852864 0.95626720396695 15.999 > 15 17 O 0.18406178456194 0.79159993163811 0.58741715329141 15.999 > 17 18 O 0.68406178456194 0.79159993163811 0.58741715329141 15.999 > 17 19 O 0.31593821543806 0.29159993163811 0.91258284670859 15.999 > 19 20 O 0.81593821543806 0.29159993163811 0.91258284670859 15.999 > 19 21 O 0.31593821543806 0.20840006836189 0.41258284670859 15.999 > 21 22 O 0.81593821543806 0.20840006836189 0.41258284670859 15.999 > 21 23 O 0.18406178456194 0.70840006836189 0.08741715329141 15.999 > 23 24 O 0.68406178456194 0.70840006836189 0.08741715329141 15.999 > 23 25 O 0.13748856076608 0.55422195616468 0.27957453044882 15.999 > 25 26 O 0.63748856076608 0.55422195616468 0.27957453044882 15.999 > 25 27 O 0.36251143923392 0.05422195616468 0.22042546955118 15.999 > 27 28 O 0.86251143923392 0.05422195616468 0.22042546955118 15.999 > 27 29 O 0.36251143923392 0.44577804383532 0.72042546955118 15.999 > 29 30 O 0.86251143923392 0.44577804383532 0.72042546955118 15.999 > 29 31 O 0.13748856076608 0.94577804383532 0.77957453044882 15.999 > 31 32 O 0.63748856076608 0.94577804383532 0.77957453044882 15.999 > 31 33 O 0.09116120745016 0.89505069491081 0.94156803596007 15.999 > 33 34 O 0.59116120745016 0.89505069491081 0.94156803596007 15.999 > 33 35 O 0.40883879254984 0.39505069491081 0.55843196403993 15.999 > 35 36 O 0.90883879254984 0.39505069491081 0.55843196403993 15.999 > 35 37 O 0.40883879254984 0.10494930508919 0.05843196403993 15.999 > 37 38 O 0.90883879254984 0.10494930508919 0.05843196403993 15.999 > 37 39 O 0.09116120745016 0.60494930508919 0.44156803596007 15.999 > 39 40 O 0.59116120745016 0.60494930508919 0.44156803596007 15.999 > 39 41 O 0.00491752806412 0.14019541705158 0.84176702954948 15.999 > 41 42 O 0.50491752806412 0.14019541705158 0.84176702954948 15.999 > 41 43 O 0.49508247193588 0.64019541705158 0.65823297045052 15.999 > 43 44 O 0.99508247193588 0.64019541705158 0.65823297045052 15.999 > 43 45 O 0.49508247193588 0.85980458294842 0.15823297045052 15.999 > 45 46 O 0.99508247193588 0.85980458294842 0.15823297045052 15.999 > 45 47 O 0.00491752806412 0.35980458294842 0.34176702954948 15.999 > 47 48 O 0.50491752806412 0.35980458294842 0.34176702954948 15.999 > 47 49 O 0.40064314088018 0.88838752888849 0.76436776142691 15.999 > 49 50 O 0.90064314088018 0.88838752888849 0.76436776142691 15.999 > 49 51 O 0.09935685911982 0.38838752888849 0.73563223857309 15.999 > 51 52 O 0.59935685911982 0.38838752888849 0.73563223857309 15.999 > 51 53 O 0.09935685911982 0.11161247111151 0.23563223857309 15.999 > 53 54 O 0.59935685911982 0.11161247111151 0.23563223857309 15.999 > 53 55 O 0.40064314088018 0.61161247111151 0.26436776142691 15.999 > 55 56 O 0.90064314088018 0.61161247111151 0.26436776142691 15.999 > 55 57 P 0.08718363951190 0.78469703704449 0.47454674002262 30.974 > 57 58 P 0.58718363951190 0.78469703704449 0.47454674002262 30.974 > 57 59 P 0.41281636048810 0.28469703704449 0.02545325997738 30.974 > 59 60 P 0.91281636048810 0.28469703704449 0.02545325997738 30.974 > 59 61 P 0.41281636048810 0.21530296295551 0.52545325997738 30.974 > 61 62 P 0.91281636048810 0.21530296295551 0.52545325997738 30.974 > 61 63 P 0.08718363951190 0.71530296295551 0.97454674002262 30.974 > 63 64 P 0.58718363951190 0.71530296295551 0.97454674002262 30.974 > 63 65 P 0.03367467712548 0.53023473057914 0.32647701393199 30.974 > 65 66 P 0.53367467712548 0.53023473057914 0.32647701393199 30.974 > 65 67 P 0.46632532287452 0.03023473057914 0.17352298606801 30.974 > 67 68 P 0.96632532287452 0.03023473057914 0.17352298606801 30.974 > 67 69 P 0.46632532287452 0.46976526942086 0.67352298606801 30.974 > 69 70 P 0.96632532287452 0.46976526942086 0.67352298606801 30.974 > 69 71 P 0.03367467712548 0.96976526942086 0.82647701393199 30.974 > 71 72 P 0.53367467712548 0.96976526942086 0.82647701393199 30.974 > 71 73 Sr 0.24374632033747 0.67414752216816 0.77071014543909 87.620 > 73 74 Sr 0.74374632033747 0.67414752216816 0.77071014543909 87.620 > 73 75 Sr 0.25625367966253 0.17414752216817 0.72928985456091 87.620 > 75 76 Sr 0.75625367966253 0.17414752216817 0.72928985456091 87.620 > 75 77 Sr 0.25625367966253 0.32585247783184 0.22928985456091 87.620 > 77 78 Sr 0.75625367966253 0.32585247783184 0.22928985456091 87.620 > 77 79 Sr 0.24374632033747 0.82585247783184 0.27071014543909 87.620 > 79 80 Sr 0.74374632033747 0.82585247783184 0.27071014543909 87.620 > 79 81 Cd 0.38953263824312 0.64229472339562 0.09455954088144 112.411 > 81 82 Cd 0.88953263824312 0.64229472339562 0.09455954088144 112.411 > 81 83 Cd 0.11046736175688 0.14229472339562 0.40544045911856 112.411 > 83 84 Cd 0.61046736175688 0.14229472339562 0.40544045911856 112.411 > 83 85 Cd 0.11046736175688 0.35770527660438 0.90544045911856 112.411 > 85 86 Cd 0.61046736175688 0.35770527660438 0.90544045911856 112.411 > 85 87 Cd 0.38953263824312 0.85770527660438 0.59455954088144 112.411 > 87 88 Cd 0.88953263824312 0.85770527660438 0.59455954088144 112.411 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9130659 0.0000000 -0.0120325 0.0000000 2.9341215 0.0000000 -0.0120331 0.0000000 2.8854633 -------------------------- Born effective charges -------------------------- 1 O -1.6348809 -0.2651033 0.3670723 -0.3880060 -1.8325038 0.4393098 0.4296196 0.2055828 -1.5928807 2 O -1.6348809 0.2651033 0.3670723 0.3880060 -1.8325038 -0.4393098 0.4296196 -0.2055828 -1.5928807 3 O -1.6348809 -0.2651033 0.3670723 -0.3880060 -1.8325038 0.4393098 0.4296196 0.2055828 -1.5928807 4 O -1.6348809 0.2651033 0.3670723 0.3880060 -1.8325038 -0.4393098 0.4296196 -0.2055828 -1.5928807 5 O -2.3342479 0.3170966 -0.1149218 0.2743072 -1.0862580 0.0394990 0.2282193 -0.1591902 -1.4846795 6 O -2.3342479 -0.3170966 -0.1149218 -0.2743072 -1.0862580 -0.0394990 0.2282193 0.1591902 -1.4846795 7 O -2.3342479 0.3170966 -0.1149218 0.2743072 -1.0862580 0.0394990 0.2282193 -0.1591902 -1.4846795 8 O -2.3342479 -0.3170966 -0.1149218 -0.2743072 -1.0862580 -0.0394990 0.2282193 0.1591902 -1.4846795 9 O -1.6807697 -0.1313999 -0.4718374 -0.1781111 -1.0619209 0.0917065 -0.4022066 0.0316940 -2.2533089 10 O -1.6807697 0.1313999 -0.4718374 0.1781111 -1.0619209 -0.0917065 -0.4022066 -0.0316940 -2.2533089 11 O -1.6807697 -0.1313999 -0.4718374 -0.1781111 -1.0619209 0.0917065 -0.4022066 0.0316940 -2.2533089 12 O -1.6807697 0.1313999 -0.4718374 0.1781111 -1.0619209 -0.0917065 -0.4022066 -0.0316940 -2.2533089 13 O -2.0704666 -0.0902783 0.3435179 -0.0258308 -1.5355079 -0.0711429 0.4198207 0.0725338 -1.2834102 14 O -2.0704666 0.0902783 0.3435179 0.0258308 -1.5355079 0.0711429 0.4198207 -0.0725338 -1.2834102 15 O -2.0704666 -0.0902783 0.3435179 -0.0258308 -1.5355079 -0.0711429 0.4198207 0.0725338 -1.2834102 16 O -2.0704666 0.0902783 0.3435179 0.0258308 -1.5355079 0.0711429 0.4198207 -0.0725338 -1.2834102 17 O -0.8652233 -0.1320223 0.0415275 -0.1016937 -2.3391432 1.0631866 0.1050191 1.1026240 -2.0495088 18 O -0.8652233 0.1320223 0.0415275 0.1016937 -2.3391432 -1.0631866 0.1050191 -1.1026240 -2.0495088 19 O -0.8652233 -0.1320223 0.0415275 -0.1016937 -2.3391432 1.0631866 0.1050191 1.1026240 -2.0495088 20 O -0.8652233 0.1320223 0.0415275 0.1016937 -2.3391432 -1.0631866 0.1050191 -1.1026240 -2.0495088 21 O -1.2997967 0.1621594 -0.0797253 0.2924546 -2.5445065 -0.2321214 -0.0823074 -0.3659630 -1.1993646 22 O -1.2997967 -0.1621594 -0.0797253 -0.2924546 -2.5445065 0.2321214 -0.0823074 0.3659630 -1.1993646 23 O -1.2997967 0.1621594 -0.0797253 0.2924546 -2.5445065 -0.2321214 -0.0823074 -0.3659630 -1.1993646 24 O -1.2997967 -0.1621594 -0.0797253 -0.2924546 -2.5445065 0.2321214 -0.0823074 0.3659630 -1.1993646 25 O -1.7393686 -0.3799774 -0.2845179 -0.3359969 -1.6669575 -0.1683668 -0.4114870 -0.3154748 -1.7323743 26 O -1.7393686 0.3799774 -0.2845179 0.3359969 -1.6669575 0.1683668 -0.4114870 0.3154748 -1.7323743 27 O -1.7393686 -0.3799774 -0.2845179 -0.3359969 -1.6669575 -0.1683668 -0.4114870 -0.3154748 -1.7323743 28 O -1.7393686 0.3799774 -0.2845179 0.3359969 -1.6669575 0.1683668 -0.4114870 0.3154748 -1.7323743 29 P 3.4324096 -0.0065416 0.4498660 0.2156413 3.4035523 -0.1963499 -0.3339655 0.7168678 3.3185261 30 P 3.4324096 0.0065416 0.4498660 -0.2156413 3.4035523 0.1963499 -0.3339655 -0.7168678 3.3185261 31 P 3.4324096 -0.0065416 0.4498660 0.2156413 3.4035523 -0.1963499 -0.3339655 0.7168678 3.3185261 32 P 3.4324096 0.0065416 0.4498660 -0.2156413 3.4035523 0.1963499 -0.3339655 -0.7168678 3.3185261 33 P 3.0205379 0.0413933 -0.1047662 0.2286250 3.7773498 0.6369679 0.0282286 -0.1328527 3.3818110 34 P 3.0205379 -0.0413933 -0.1047662 -0.2286250 3.7773498 -0.6369679 0.0282286 0.1328527 3.3818110 35 P 3.0205379 0.0413933 -0.1047662 0.2286250 3.7773498 0.6369679 0.0282286 -0.1328527 3.3818110 36 P 3.0205379 -0.0413933 -0.1047662 -0.2286250 3.7773498 -0.6369679 0.0282286 0.1328527 3.3818110 37 Sr 2.8417336 0.0332167 0.0384201 0.1328947 2.4510992 -0.0249728 0.0102966 -0.0798538 2.5255094 38 Sr 2.8417336 -0.0332167 0.0384201 -0.1328947 2.4510992 0.0249728 0.0102966 0.0798538 2.5255094 39 Sr 2.8417336 0.0332167 0.0384201 0.1328947 2.4510992 -0.0249728 0.0102966 -0.0798538 2.5255094 40 Sr 2.8417336 -0.0332167 0.0384201 -0.1328947 2.4510992 0.0249728 0.0102966 0.0798538 2.5255094 41 Cd 2.3300726 0.0647251 -0.1846351 0.1993412 2.4347966 0.1062105 0.0087625 0.1330341 2.3696807 42 Cd 2.3300726 -0.0647251 -0.1846351 -0.1993412 2.4347966 -0.1062105 0.0087625 -0.1330341 2.3696807 43 Cd 2.3300726 0.0647251 -0.1846351 0.1993412 2.4347966 0.1062105 0.0087625 0.1330341 2.3696807 44 Cd 2.3300726 -0.0647251 -0.1846351 -0.1993412 2.4347966 -0.1062105 0.0087625 -0.1330341 2.3696807 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:38:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:38:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.440453110000901 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): 1 O 0.27953064629608 0.88264059832820 0.40557999344668 15.999 2 O 0.72046935370392 0.38264059832820 0.09442000655332 15.999 3 O 0.72046935370392 0.11735940167180 0.59442000655332 15.999 4 O 0.27953064629608 0.61735940167180 0.90557999344668 15.999 5 O 0.88590706571489 0.82785667147136 0.45626720396695 15.999 6 O 0.11409293428511 0.32785667147136 0.04373279603305 15.999 7 O 0.11409293428511 0.17214332852864 0.54373279603305 15.999 8 O 0.88590706571489 0.67214332852864 0.95626720396695 15.999 9 O 0.36812356912388 0.79159993163811 0.58741715329141 15.999 10 O 0.63187643087612 0.29159993163811 0.91258284670859 15.999 11 O 0.63187643087612 0.20840006836189 0.41258284670859 15.999 12 O 0.36812356912388 0.70840006836189 0.08741715329141 15.999 13 O 0.27497712153215 0.55422195616468 0.27957453044882 15.999 14 O 0.72502287846785 0.05422195616468 0.22042546955118 15.999 15 O 0.72502287846785 0.44577804383532 0.72042546955118 15.999 16 O 0.27497712153215 0.94577804383532 0.77957453044882 15.999 17 O 0.18232241490031 0.89505069491081 0.94156803596007 15.999 18 O 0.81767758509969 0.39505069491081 0.55843196403993 15.999 19 O 0.81767758509969 0.10494930508919 0.05843196403993 15.999 20 O 0.18232241490031 0.60494930508919 0.44156803596007 15.999 21 O 0.00983505612825 0.14019541705158 0.84176702954948 15.999 22 O 0.99016494387175 0.64019541705158 0.65823297045052 15.999 23 O 0.99016494387175 0.85980458294842 0.15823297045052 15.999 24 O 0.00983505612825 0.35980458294842 0.34176702954948 15.999 25 O 0.80128628176036 0.88838752888849 0.76436776142691 15.999 26 O 0.19871371823964 0.38838752888849 0.73563223857309 15.999 27 O 0.19871371823964 0.11161247111151 0.23563223857309 15.999 28 O 0.80128628176036 0.61161247111151 0.26436776142691 15.999 29 P 0.17436727902379 0.78469703704449 0.47454674002262 30.974 30 P 0.82563272097621 0.28469703704449 0.02545325997738 30.974 31 P 0.82563272097621 0.21530296295551 0.52545325997738 30.974 32 P 0.17436727902379 0.71530296295551 0.97454674002262 30.974 33 P 0.06734935425096 0.53023473057914 0.32647701393199 30.974 34 P 0.93265064574904 0.03023473057914 0.17352298606801 30.974 35 P 0.93265064574904 0.46976526942086 0.67352298606801 30.974 36 P 0.06734935425096 0.96976526942086 0.82647701393199 30.974 37 Sr 0.48749264067495 0.67414752216816 0.77071014543909 87.620 38 Sr 0.51250735932505 0.17414752216817 0.72928985456091 87.620 39 Sr 0.51250735932505 0.32585247783184 0.22928985456091 87.620 40 Sr 0.48749264067495 0.82585247783184 0.27071014543909 87.620 41 Cd 0.77906527648624 0.64229472339562 0.09455954088144 112.411 42 Cd 0.22093472351376 0.14229472339562 0.40544045911856 112.411 43 Cd 0.22093472351376 0.35770527660438 0.90544045911856 112.411 44 Cd 0.77906527648624 0.85770527660438 0.59455954088144 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.880906220001801 0.000000000000000 0.000000000000000 b 0.000000000000000 8.548193840000000 0.000000000000000 c -5.404303097957360 0.000000000000000 12.928387660799954 Atomic positions (fractional): 1 O 0.13976532314804 0.88264059832820 0.40557999344668 15.999 > 1 2 O 0.63976532314804 0.88264059832820 0.40557999344668 15.999 > 1 3 O 0.36023467685196 0.38264059832820 0.09442000655332 15.999 > 3 4 O 0.86023467685196 0.38264059832820 0.09442000655332 15.999 > 3 5 O 0.36023467685196 0.11735940167180 0.59442000655332 15.999 > 5 6 O 0.86023467685196 0.11735940167180 0.59442000655332 15.999 > 5 7 O 0.13976532314804 0.61735940167180 0.90557999344668 15.999 > 7 8 O 0.63976532314804 0.61735940167180 0.90557999344668 15.999 > 7 9 O 0.44295353285745 0.82785667147136 0.45626720396695 15.999 > 9 10 O 0.94295353285745 0.82785667147136 0.45626720396695 15.999 > 9 11 O 0.05704646714255 0.32785667147136 0.04373279603305 15.999 > 11 12 O 0.55704646714255 0.32785667147136 0.04373279603305 15.999 > 11 13 O 0.05704646714255 0.17214332852864 0.54373279603305 15.999 > 13 14 O 0.55704646714255 0.17214332852864 0.54373279603305 15.999 > 13 15 O 0.44295353285745 0.67214332852864 0.95626720396695 15.999 > 15 16 O 0.94295353285745 0.67214332852864 0.95626720396695 15.999 > 15 17 O 0.18406178456194 0.79159993163811 0.58741715329141 15.999 > 17 18 O 0.68406178456194 0.79159993163811 0.58741715329141 15.999 > 17 19 O 0.31593821543806 0.29159993163811 0.91258284670859 15.999 > 19 20 O 0.81593821543806 0.29159993163811 0.91258284670859 15.999 > 19 21 O 0.31593821543806 0.20840006836189 0.41258284670859 15.999 > 21 22 O 0.81593821543806 0.20840006836189 0.41258284670859 15.999 > 21 23 O 0.18406178456194 0.70840006836189 0.08741715329141 15.999 > 23 24 O 0.68406178456194 0.70840006836189 0.08741715329141 15.999 > 23 25 O 0.13748856076608 0.55422195616468 0.27957453044882 15.999 > 25 26 O 0.63748856076608 0.55422195616468 0.27957453044882 15.999 > 25 27 O 0.36251143923392 0.05422195616468 0.22042546955118 15.999 > 27 28 O 0.86251143923392 0.05422195616468 0.22042546955118 15.999 > 27 29 O 0.36251143923392 0.44577804383532 0.72042546955118 15.999 > 29 30 O 0.86251143923392 0.44577804383532 0.72042546955118 15.999 > 29 31 O 0.13748856076608 0.94577804383532 0.77957453044882 15.999 > 31 32 O 0.63748856076608 0.94577804383532 0.77957453044882 15.999 > 31 33 O 0.09116120745016 0.89505069491081 0.94156803596007 15.999 > 33 34 O 0.59116120745016 0.89505069491081 0.94156803596007 15.999 > 33 35 O 0.40883879254984 0.39505069491081 0.55843196403993 15.999 > 35 36 O 0.90883879254984 0.39505069491081 0.55843196403993 15.999 > 35 37 O 0.40883879254984 0.10494930508919 0.05843196403993 15.999 > 37 38 O 0.90883879254984 0.10494930508919 0.05843196403993 15.999 > 37 39 O 0.09116120745016 0.60494930508919 0.44156803596007 15.999 > 39 40 O 0.59116120745016 0.60494930508919 0.44156803596007 15.999 > 39 41 O 0.00491752806412 0.14019541705158 0.84176702954948 15.999 > 41 42 O 0.50491752806412 0.14019541705158 0.84176702954948 15.999 > 41 43 O 0.49508247193588 0.64019541705158 0.65823297045052 15.999 > 43 44 O 0.99508247193588 0.64019541705158 0.65823297045052 15.999 > 43 45 O 0.49508247193588 0.85980458294842 0.15823297045052 15.999 > 45 46 O 0.99508247193588 0.85980458294842 0.15823297045052 15.999 > 45 47 O 0.00491752806412 0.35980458294842 0.34176702954948 15.999 > 47 48 O 0.50491752806412 0.35980458294842 0.34176702954948 15.999 > 47 49 O 0.40064314088018 0.88838752888849 0.76436776142691 15.999 > 49 50 O 0.90064314088018 0.88838752888849 0.76436776142691 15.999 > 49 51 O 0.09935685911982 0.38838752888849 0.73563223857309 15.999 > 51 52 O 0.59935685911982 0.38838752888849 0.73563223857309 15.999 > 51 53 O 0.09935685911982 0.11161247111151 0.23563223857309 15.999 > 53 54 O 0.59935685911982 0.11161247111151 0.23563223857309 15.999 > 53 55 O 0.40064314088018 0.61161247111151 0.26436776142691 15.999 > 55 56 O 0.90064314088018 0.61161247111151 0.26436776142691 15.999 > 55 57 P 0.08718363951190 0.78469703704449 0.47454674002262 30.974 > 57 58 P 0.58718363951190 0.78469703704449 0.47454674002262 30.974 > 57 59 P 0.41281636048810 0.28469703704449 0.02545325997738 30.974 > 59 60 P 0.91281636048810 0.28469703704449 0.02545325997738 30.974 > 59 61 P 0.41281636048810 0.21530296295551 0.52545325997738 30.974 > 61 62 P 0.91281636048810 0.21530296295551 0.52545325997738 30.974 > 61 63 P 0.08718363951190 0.71530296295551 0.97454674002262 30.974 > 63 64 P 0.58718363951190 0.71530296295551 0.97454674002262 30.974 > 63 65 P 0.03367467712548 0.53023473057914 0.32647701393199 30.974 > 65 66 P 0.53367467712548 0.53023473057914 0.32647701393199 30.974 > 65 67 P 0.46632532287452 0.03023473057914 0.17352298606801 30.974 > 67 68 P 0.96632532287452 0.03023473057914 0.17352298606801 30.974 > 67 69 P 0.46632532287452 0.46976526942086 0.67352298606801 30.974 > 69 70 P 0.96632532287452 0.46976526942086 0.67352298606801 30.974 > 69 71 P 0.03367467712548 0.96976526942086 0.82647701393199 30.974 > 71 72 P 0.53367467712548 0.96976526942086 0.82647701393199 30.974 > 71 73 Sr 0.24374632033747 0.67414752216816 0.77071014543909 87.620 > 73 74 Sr 0.74374632033747 0.67414752216816 0.77071014543909 87.620 > 73 75 Sr 0.25625367966253 0.17414752216817 0.72928985456091 87.620 > 75 76 Sr 0.75625367966253 0.17414752216817 0.72928985456091 87.620 > 75 77 Sr 0.25625367966253 0.32585247783184 0.22928985456091 87.620 > 77 78 Sr 0.75625367966253 0.32585247783184 0.22928985456091 87.620 > 77 79 Sr 0.24374632033747 0.82585247783184 0.27071014543909 87.620 > 79 80 Sr 0.74374632033747 0.82585247783184 0.27071014543909 87.620 > 79 81 Cd 0.38953263824312 0.64229472339562 0.09455954088144 112.411 > 81 82 Cd 0.88953263824312 0.64229472339562 0.09455954088144 112.411 > 81 83 Cd 0.11046736175688 0.14229472339562 0.40544045911856 112.411 > 83 84 Cd 0.61046736175688 0.14229472339562 0.40544045911856 112.411 > 83 85 Cd 0.11046736175688 0.35770527660438 0.90544045911856 112.411 > 85 86 Cd 0.61046736175688 0.35770527660438 0.90544045911856 112.411 > 85 87 Cd 0.38953263824312 0.85770527660438 0.59455954088144 112.411 > 87 88 Cd 0.88953263824312 0.85770527660438 0.59455954088144 112.411 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9130659 0.0000000 -0.0120325 0.0000000 2.9341215 0.0000000 -0.0120331 0.0000000 2.8854633 -------------------------- Born effective charges -------------------------- 1 O -1.6348809 -0.2651033 0.3670723 -0.3880060 -1.8325038 0.4393098 0.4296196 0.2055828 -1.5928807 2 O -1.6348809 0.2651033 0.3670723 0.3880060 -1.8325038 -0.4393098 0.4296196 -0.2055828 -1.5928807 3 O -1.6348809 -0.2651033 0.3670723 -0.3880060 -1.8325038 0.4393098 0.4296196 0.2055828 -1.5928807 4 O -1.6348809 0.2651033 0.3670723 0.3880060 -1.8325038 -0.4393098 0.4296196 -0.2055828 -1.5928807 5 O -2.3342479 0.3170966 -0.1149218 0.2743072 -1.0862580 0.0394990 0.2282193 -0.1591902 -1.4846795 6 O -2.3342479 -0.3170966 -0.1149218 -0.2743072 -1.0862580 -0.0394990 0.2282193 0.1591902 -1.4846795 7 O -2.3342479 0.3170966 -0.1149218 0.2743072 -1.0862580 0.0394990 0.2282193 -0.1591902 -1.4846795 8 O -2.3342479 -0.3170966 -0.1149218 -0.2743072 -1.0862580 -0.0394990 0.2282193 0.1591902 -1.4846795 9 O -1.6807697 -0.1313999 -0.4718374 -0.1781111 -1.0619209 0.0917065 -0.4022066 0.0316940 -2.2533089 10 O -1.6807697 0.1313999 -0.4718374 0.1781111 -1.0619209 -0.0917065 -0.4022066 -0.0316940 -2.2533089 11 O -1.6807697 -0.1313999 -0.4718374 -0.1781111 -1.0619209 0.0917065 -0.4022066 0.0316940 -2.2533089 12 O -1.6807697 0.1313999 -0.4718374 0.1781111 -1.0619209 -0.0917065 -0.4022066 -0.0316940 -2.2533089 13 O -2.0704666 -0.0902783 0.3435179 -0.0258308 -1.5355079 -0.0711429 0.4198207 0.0725338 -1.2834102 14 O -2.0704666 0.0902783 0.3435179 0.0258308 -1.5355079 0.0711429 0.4198207 -0.0725338 -1.2834102 15 O -2.0704666 -0.0902783 0.3435179 -0.0258308 -1.5355079 -0.0711429 0.4198207 0.0725338 -1.2834102 16 O -2.0704666 0.0902783 0.3435179 0.0258308 -1.5355079 0.0711429 0.4198207 -0.0725338 -1.2834102 17 O -0.8652233 -0.1320223 0.0415275 -0.1016937 -2.3391432 1.0631866 0.1050191 1.1026240 -2.0495088 18 O -0.8652233 0.1320223 0.0415275 0.1016937 -2.3391432 -1.0631866 0.1050191 -1.1026240 -2.0495088 19 O -0.8652233 -0.1320223 0.0415275 -0.1016937 -2.3391432 1.0631866 0.1050191 1.1026240 -2.0495088 20 O -0.8652233 0.1320223 0.0415275 0.1016937 -2.3391432 -1.0631866 0.1050191 -1.1026240 -2.0495088 21 O -1.2997967 0.1621594 -0.0797253 0.2924546 -2.5445065 -0.2321214 -0.0823074 -0.3659630 -1.1993646 22 O -1.2997967 -0.1621594 -0.0797253 -0.2924546 -2.5445065 0.2321214 -0.0823074 0.3659630 -1.1993646 23 O -1.2997967 0.1621594 -0.0797253 0.2924546 -2.5445065 -0.2321214 -0.0823074 -0.3659630 -1.1993646 24 O -1.2997967 -0.1621594 -0.0797253 -0.2924546 -2.5445065 0.2321214 -0.0823074 0.3659630 -1.1993646 25 O -1.7393686 -0.3799774 -0.2845179 -0.3359969 -1.6669575 -0.1683668 -0.4114870 -0.3154748 -1.7323743 26 O -1.7393686 0.3799774 -0.2845179 0.3359969 -1.6669575 0.1683668 -0.4114870 0.3154748 -1.7323743 27 O -1.7393686 -0.3799774 -0.2845179 -0.3359969 -1.6669575 -0.1683668 -0.4114870 -0.3154748 -1.7323743 28 O -1.7393686 0.3799774 -0.2845179 0.3359969 -1.6669575 0.1683668 -0.4114870 0.3154748 -1.7323743 29 P 3.4324096 -0.0065416 0.4498660 0.2156413 3.4035523 -0.1963499 -0.3339655 0.7168678 3.3185261 30 P 3.4324096 0.0065416 0.4498660 -0.2156413 3.4035523 0.1963499 -0.3339655 -0.7168678 3.3185261 31 P 3.4324096 -0.0065416 0.4498660 0.2156413 3.4035523 -0.1963499 -0.3339655 0.7168678 3.3185261 32 P 3.4324096 0.0065416 0.4498660 -0.2156413 3.4035523 0.1963499 -0.3339655 -0.7168678 3.3185261 33 P 3.0205379 0.0413933 -0.1047662 0.2286250 3.7773498 0.6369679 0.0282286 -0.1328527 3.3818110 34 P 3.0205379 -0.0413933 -0.1047662 -0.2286250 3.7773498 -0.6369679 0.0282286 0.1328527 3.3818110 35 P 3.0205379 0.0413933 -0.1047662 0.2286250 3.7773498 0.6369679 0.0282286 -0.1328527 3.3818110 36 P 3.0205379 -0.0413933 -0.1047662 -0.2286250 3.7773498 -0.6369679 0.0282286 0.1328527 3.3818110 37 Sr 2.8417336 0.0332167 0.0384201 0.1328947 2.4510992 -0.0249728 0.0102966 -0.0798538 2.5255094 38 Sr 2.8417336 -0.0332167 0.0384201 -0.1328947 2.4510992 0.0249728 0.0102966 0.0798538 2.5255094 39 Sr 2.8417336 0.0332167 0.0384201 0.1328947 2.4510992 -0.0249728 0.0102966 -0.0798538 2.5255094 40 Sr 2.8417336 -0.0332167 0.0384201 -0.1328947 2.4510992 0.0249728 0.0102966 0.0798538 2.5255094 41 Cd 2.3300726 0.0647251 -0.1846351 0.1993412 2.4347966 0.1062105 0.0087625 0.1330341 2.3696807 42 Cd 2.3300726 -0.0647251 -0.1846351 -0.1993412 2.4347966 -0.1062105 0.0087625 -0.1330341 2.3696807 43 Cd 2.3300726 0.0647251 -0.1846351 0.1993412 2.4347966 0.1062105 0.0087625 0.1330341 2.3696807 44 Cd 2.3300726 -0.0647251 -0.1846351 -0.1993412 2.4347966 -0.1062105 0.0087625 -0.1330341 2.3696807 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 6 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: 0.49, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.756 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.763 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 12.256 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 0.000) 0.000 13.964 ( 0.000 0.000 0.000) 0.000 14.012 ( 0.000 0.000 0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.197 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 0.000) 0.000 15.005 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 15.273 ( 0.000 0.000 0.000) 0.000 15.347 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 16.419 ( 0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 0.000) 0.000 16.615 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 17.376 ( 0.000 0.000 0.000) 0.000 17.528 ( 0.000 0.000 0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.714 ( 0.000 0.000 0.000) 0.000 21.350 ( 0.000 0.000 0.000) 0.000 21.412 ( 0.000 0.000 0.000) 0.000 21.833 ( 0.000 0.000 0.000) 0.000 21.847 ( 0.000 0.000 0.000) 0.000 27.336 ( 0.000 0.000 0.000) 0.000 27.340 ( 0.000 0.000 0.000) 0.000 27.557 ( 0.000 0.000 0.000) 0.000 27.851 ( 0.000 0.000 0.000) 0.000 28.707 ( 0.000 0.000 0.000) 0.000 28.786 ( 0.000 0.000 0.000) 0.000 28.841 ( 0.000 0.000 0.000) 0.000 28.959 ( 0.000 0.000 0.000) 0.000 29.773 ( 0.000 0.000 0.000) 0.000 29.860 ( 0.000 0.000 0.000) 0.000 30.252 ( 0.000 0.000 0.000) 0.000 30.355 ( 0.000 0.000 0.000) 0.000 30.424 ( 0.000 0.000 0.000) 0.000 30.448 ( 0.000 0.000 0.000) 0.000 30.796 ( 0.000 0.000 0.000) 0.000 31.109 ( 0.000 0.000 0.000) 0.000 31.430 ( 0.000 0.000 0.000) 0.000 31.474 ( 0.000 0.000 0.000) 0.000 31.570 ( 0.000 0.000 0.000) 0.000 31.825 ( 0.000 0.000 0.000) 0.000 32.040 ( 0.000 0.000 0.000) 0.000 32.244 ( 0.000 0.000 0.000) 0.000 32.425 ( 0.000 0.000 0.000) 0.000 32.953 ( 0.000 0.000 0.000) 0.000 32.955 ( 0.000 0.000 0.000) 0.000 33.550 ( 0.000 0.000 0.000) 0.000 33.886 ( 0.000 0.000 0.000) 0.000 33.903 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 23.662 0.000 11.522) 26.318 0.598 ( 26.007 0.000 13.597) 29.347 1.082 ( 49.272 0.000 15.892) 51.772 1.572 ( 5.544 0.000 -8.334) 10.009 1.796 ( 8.704 0.000 2.040) 8.940 1.833 ( -5.924 0.000 -15.832) 16.904 1.941 ( 6.087 0.000 -1.744) 6.332 2.087 ( 1.208 0.000 -0.642) 1.368 2.188 ( 2.995 0.000 6.730) 7.366 2.206 ( 11.720 0.000 2.024) 11.894 2.336 ( 5.021 0.000 5.812) 7.680 2.502 ( 3.504 0.000 7.685) 8.446 2.555 ( 6.137 0.000 -0.100) 6.138 2.685 ( 4.303 0.000 3.848) 5.772 2.721 ( 1.430 0.000 1.722) 2.238 2.913 ( 0.436 0.000 -2.722) 2.757 2.940 ( 0.622 0.000 -1.188) 1.340 3.107 ( 5.887 0.000 -13.534) 14.758 3.160 ( -1.970 0.000 -2.986) 3.577 3.217 ( 5.565 0.000 -3.367) 6.504 3.385 ( 5.097 0.000 1.433) 5.294 3.426 ( -0.666 0.000 0.874) 1.099 3.474 ( 0.714 0.000 5.227) 5.276 3.683 ( -1.421 0.000 4.469) 4.690 3.784 ( -3.454 0.000 3.131) 4.661 3.849 ( -1.560 0.000 1.971) 2.514 3.924 ( 0.075 0.000 -2.860) 2.861 4.053 ( -3.427 0.000 1.221) 3.638 4.071 ( 2.994 0.000 -5.608) 6.358 4.176 ( -1.000 0.000 0.995) 1.411 4.204 ( -5.064 0.000 2.204) 5.523 4.316 ( -4.137 0.000 8.338) 9.308 4.442 ( 3.713 0.000 -0.351) 3.729 4.473 ( 2.616 0.000 -2.178) 3.404 4.488 ( 1.207 0.000 2.200) 2.509 4.650 ( -2.578 0.000 2.003) 3.265 4.745 ( 0.007 0.000 6.976) 6.976 4.853 ( -3.019 0.000 0.807) 3.125 5.139 ( 0.887 0.000 -6.586) 6.645 5.202 ( -1.642 0.000 -3.143) 3.546 5.374 ( -2.015 0.000 -0.194) 2.024 5.412 ( 1.609 0.000 -6.439) 6.637 5.452 ( -2.607 0.000 5.174) 5.794 5.642 ( -0.534 0.000 4.701) 4.732 5.698 ( -0.425 0.000 3.984) 4.006 5.788 ( 5.502 0.000 4.669) 7.216 6.064 ( -2.235 0.000 -4.006) 4.587 6.454 ( 11.397 0.000 -19.417) 22.515 6.602 ( -4.100 0.000 1.995) 4.559 6.836 ( 5.019 0.000 -3.115) 5.908 6.912 ( -3.904 0.000 -1.687) 4.253 6.970 ( -2.312 0.000 -1.803) 2.932 7.019 ( 4.748 0.000 7.897) 9.215 7.307 ( 0.167 0.000 -0.022) 0.168 7.742 ( -6.292 0.000 8.266) 10.388 7.834 ( -5.085 0.000 -6.919) 8.587 8.040 ( 0.588 0.000 -1.346) 1.469 8.160 ( -2.180 0.000 -6.461) 6.819 8.220 ( 2.477 0.000 3.315) 4.138 8.272 ( -1.368 0.000 -0.632) 1.507 9.370 ( 1.838 0.000 -0.005) 1.838 9.641 ( 2.316 0.000 2.380) 3.321 9.644 ( -0.548 0.000 -6.209) 6.233 9.744 ( -5.905 0.000 6.145) 8.522 9.832 ( 2.138 0.000 6.469) 6.813 9.926 ( 4.760 0.000 -4.633) 6.642 10.142 ( -2.261 0.000 0.100) 2.264 10.232 ( -0.111 0.000 2.166) 2.169 10.280 ( 0.268 0.000 -5.046) 5.053 10.323 ( 0.316 0.000 1.621) 1.651 10.762 ( 0.038 0.000 -0.273) 0.276 10.901 ( -0.052 0.000 -1.162) 1.163 12.283 ( 3.075 0.000 -0.430) 3.105 12.394 ( 1.769 0.000 -2.807) 3.318 12.654 ( 1.076 0.000 0.924) 1.418 12.671 ( -1.297 0.000 -0.651) 1.451 13.935 ( -2.681 0.000 -0.376) 2.708 14.026 ( -2.491 0.000 4.301) 4.970 14.107 ( -0.900 0.000 -2.739) 2.883 14.204 ( 0.167 0.000 1.355) 1.365 14.775 ( -6.107 0.000 14.617) 15.842 14.909 ( -3.954 0.000 2.065) 4.461 14.994 ( -0.812 0.000 -0.705) 1.075 15.084 ( -0.793 0.000 -0.552) 0.966 15.278 ( 0.496 0.000 0.155) 0.520 15.351 ( 0.108 0.000 0.735) 0.743 15.563 ( -2.880 0.000 8.034) 8.535 15.621 ( 1.962 0.000 -1.770) 2.642 15.688 ( 2.469 0.000 0.029) 2.469 15.834 ( -0.642 0.000 -1.136) 1.305 15.881 ( 2.594 0.000 -3.574) 4.416 16.253 ( -4.655 0.000 -1.511) 4.895 16.464 ( 3.646 0.000 0.829) 3.739 16.587 ( -1.891 0.000 -1.494) 2.410 16.667 ( 1.185 0.000 0.642) 1.348 16.805 ( 4.246 0.000 -8.079) 9.126 17.382 ( 0.374 0.000 0.597) 0.704 17.515 ( -1.327 0.000 -0.046) 1.328 17.689 ( -0.589 0.000 -2.910) 2.969 17.699 ( -1.607 0.000 0.085) 1.610 21.414 ( 0.279 0.000 -0.233) 0.363 21.424 ( -2.640 0.000 8.430) 8.833 21.818 ( -1.982 0.000 0.985) 2.213 21.826 ( -1.526 0.000 -1.607) 2.216 27.328 ( -1.794 0.000 2.347) 2.954 27.414 ( -8.300 0.000 18.126) 19.936 27.516 ( -3.689 0.000 -1.550) 4.001 27.786 ( -6.160 0.000 -1.425) 6.323 28.715 ( 0.715 0.000 0.377) 0.808 28.781 ( -0.168 0.000 -0.773) 0.791 28.869 ( -4.514 0.000 8.062) 9.240 28.947 ( -1.393 0.000 0.247) 1.415 29.794 ( -1.800 0.000 4.657) 4.993 29.855 ( -0.861 0.000 1.025) 1.339 30.261 ( 0.268 0.000 0.431) 0.508 30.313 ( -4.224 0.000 0.060) 4.225 30.420 ( 0.899 0.000 -1.955) 2.152 30.476 ( 3.463 0.000 0.334) 3.479 30.932 ( 8.568 0.000 -7.908) 11.659 31.276 ( 13.031 0.000 5.456) 14.127 31.455 ( 2.359 0.000 -0.088) 2.361 31.497 ( 2.634 0.000 -0.501) 2.681 31.582 ( 1.425 0.000 2.086) 2.526 31.948 ( -4.234 0.000 -7.639) 8.734 32.312 ( 5.665 0.000 1.921) 5.982 32.408 ( -0.323 0.000 -3.581) 3.596 32.965 ( 1.401 0.000 0.147) 1.409 32.966 ( 1.561 0.000 -1.016) 1.863 33.525 ( -0.722 0.000 -4.512) 4.569 33.743 ( -4.712 0.000 10.738) 11.726 33.897 ( -1.286 0.000 2.793) 3.075 34.356 ( 8.047 0.000 -23.994) 25.308 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 20.834 0.000 10.612) 23.381 1.149 ( 23.973 0.000 9.034) 25.619 1.600 ( 6.891 0.000 -11.475) 13.386 1.604 ( -3.426 0.000 -15.720) 16.089 1.942 ( 11.828 0.000 -0.257) 11.830 1.954 ( 0.684 0.000 -4.394) 4.447 1.967 ( 21.277 0.000 12.504) 24.679 2.167 ( 5.371 0.000 3.070) 6.187 2.372 ( 4.341 0.000 -4.637) 6.352 2.375 ( 14.313 0.000 4.968) 15.151 2.531 ( 4.227 0.000 11.340) 12.102 2.595 ( 1.796 0.000 1.416) 2.288 2.683 ( 8.078 0.000 0.523) 8.095 2.784 ( 2.685 0.000 5.022) 5.695 2.824 ( 7.417 0.000 6.693) 9.990 2.870 ( 3.802 0.000 -4.241) 5.696 3.069 ( 7.648 0.000 -5.425) 9.377 3.083 ( 2.896 0.000 -14.218) 14.510 3.125 ( 0.241 0.000 0.595) 0.642 3.329 ( 14.250 0.000 -12.207) 18.764 3.444 ( 1.477 0.000 3.006) 3.349 3.448 ( 0.943 0.000 3.047) 3.189 3.621 ( 10.207 0.000 0.207) 10.209 3.693 ( -1.009 0.000 4.885) 4.988 3.723 ( -6.271 0.000 5.071) 8.065 3.822 ( -3.717 0.000 2.326) 4.384 3.924 ( 4.367 0.000 -8.570) 9.618 3.966 ( -6.527 0.000 4.299) 7.816 4.079 ( 4.050 0.000 -2.465) 4.741 4.145 ( -2.088 0.000 -4.598) 5.050 4.152 ( -2.668 0.000 0.230) 2.678 4.322 ( -0.708 0.000 7.033) 7.069 4.444 ( -1.511 0.000 -1.678) 2.258 4.508 ( 3.552 0.000 -0.108) 3.553 4.554 ( -1.171 0.000 5.218) 5.348 4.620 ( 0.172 0.000 -3.646) 3.650 4.804 ( 1.296 0.000 5.466) 5.617 4.811 ( -0.957 0.000 -0.089) 0.961 5.100 ( 1.218 0.000 -7.976) 8.068 5.169 ( 1.596 0.000 -2.384) 2.869 5.331 ( -2.319 0.000 0.244) 2.332 5.346 ( -3.122 0.000 0.410) 3.149 5.518 ( 3.088 0.000 2.156) 3.766 5.623 ( -3.255 0.000 1.524) 3.595 5.719 ( -1.919 0.000 6.370) 6.652 5.954 ( 5.874 0.000 7.275) 9.350 6.004 ( -0.889 0.000 -2.935) 3.066 6.477 ( 6.683 0.000 -14.621) 16.076 6.607 ( -1.277 0.000 7.315) 7.426 6.829 ( -3.075 0.000 -0.720) 3.158 6.889 ( 4.733 0.000 -6.278) 7.862 6.915 ( -1.258 0.000 -1.997) 2.360 7.175 ( 3.326 0.000 10.566) 11.078 7.311 ( 0.330 0.000 -0.763) 0.831 7.682 ( -5.044 0.000 4.502) 6.761 7.686 ( -4.380 0.000 -7.014) 8.269 8.036 ( 0.411 0.000 -2.063) 2.103 8.049 ( -4.638 0.000 -4.474) 6.444 8.228 ( -2.140 0.000 -1.921) 2.876 8.257 ( -0.903 0.000 1.728) 1.950 9.407 ( 2.422 0.000 -1.114) 2.665 9.556 ( -2.630 0.000 -5.230) 5.854 9.730 ( 3.727 0.000 5.271) 6.456 9.732 ( -1.193 0.000 5.020) 5.160 9.945 ( 1.471 0.000 -5.335) 5.534 9.948 ( 3.795 0.000 8.156) 8.996 10.095 ( -3.231 0.000 1.245) 3.463 10.196 ( -2.965 0.000 -4.335) 5.251 10.278 ( 2.014 0.000 -0.852) 2.187 10.329 ( -1.195 0.000 1.886) 2.233 10.763 ( 0.278 0.000 -0.227) 0.359 10.891 ( -0.157 0.000 -0.837) 0.851 12.354 ( 4.829 0.000 -0.858) 4.904 12.415 ( 2.223 0.000 -1.114) 2.487 12.635 ( -1.907 0.000 -0.640) 2.012 12.680 ( 0.836 0.000 0.474) 0.961 13.878 ( -2.686 0.000 -0.255) 2.698 14.008 ( -1.778 0.000 1.197) 2.144 14.061 ( -1.179 0.000 -3.560) 3.750 14.223 ( 0.379 0.000 2.259) 2.290 14.771 ( -2.607 0.000 5.312) 5.917 14.855 ( -3.478 0.000 2.544) 4.309 14.971 ( -1.006 0.000 -0.622) 1.182 15.054 ( -2.259 0.000 0.141) 2.263 15.293 ( 1.146 0.000 -0.260) 1.175 15.363 ( 0.468 0.000 1.177) 1.267 15.569 ( -3.126 0.000 7.513) 8.138 15.613 ( -0.605 0.000 -4.560) 4.600 15.751 ( 3.912 0.000 0.594) 3.957 15.827 ( 0.856 0.000 -0.813) 1.180 15.912 ( 2.584 0.000 -1.049) 2.789 16.129 ( -5.269 0.000 -3.949) 6.585 16.541 ( -1.544 0.000 -1.446) 2.115 16.569 ( 4.456 0.000 4.009) 5.994 16.692 ( 1.241 0.000 0.487) 1.333 16.811 ( 1.109 0.000 -3.912) 4.067 17.397 ( 0.550 0.000 0.797) 0.968 17.482 ( -1.990 0.000 -0.166) 1.997 17.645 ( -2.364 0.000 -1.026) 2.577 17.660 ( -2.650 0.000 0.151) 2.655 21.420 ( 0.914 0.000 -0.596) 1.091 21.448 ( -0.125 0.000 4.281) 4.282 21.770 ( -2.585 0.000 -2.616) 3.678 21.779 ( -3.082 0.000 1.282) 3.338 27.308 ( -2.683 0.000 3.405) 4.335 27.396 ( -5.107 0.000 9.477) 10.765 27.409 ( -5.698 0.000 -2.796) 6.347 27.621 ( -9.130 0.000 -3.430) 9.753 28.736 ( 1.107 0.000 0.610) 1.264 28.771 ( -0.122 0.000 -0.973) 0.981 28.842 ( -3.119 0.000 3.525) 4.707 28.914 ( -2.189 0.000 -0.192) 2.197 29.801 ( 0.001 0.000 1.671) 1.671 29.849 ( -0.361 0.000 0.726) 0.811 30.220 ( -5.784 0.000 0.356) 5.795 30.235 ( -3.704 0.000 0.109) 3.705 30.459 ( 5.505 0.000 -2.449) 6.025 30.580 ( 6.796 0.000 1.191) 6.900 31.055 ( 7.818 0.000 -1.044) 7.887 31.468 ( -0.736 0.000 -1.239) 1.441 31.493 ( 5.674 0.000 0.988) 5.759 31.553 ( 3.882 0.000 -1.534) 4.174 31.780 ( 14.362 0.000 12.182) 18.832 31.812 ( -3.752 0.000 -7.066) 8.000 32.357 ( -1.352 0.000 -5.835) 5.989 32.420 ( 3.414 0.000 3.378) 4.802 32.994 ( 2.554 0.000 -1.608) 3.018 33.015 ( 3.843 0.000 0.777) 3.921 33.457 ( -1.253 0.000 -8.154) 8.250 33.725 ( -4.100 0.000 5.284) 6.688 33.926 ( 0.876 0.000 6.522) 6.581 34.312 ( 2.574 0.000 -12.081) 12.352 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 15.078 0.000 7.026) 16.635 1.547 ( 8.281 0.000 -6.615) 10.599 1.579 ( 12.436 0.000 1.746) 12.558 1.650 ( 10.986 0.000 -6.645) 12.840 1.962 ( 4.014 0.000 -3.985) 5.656 2.013 ( 4.955 0.000 -5.143) 7.141 2.246 ( 0.946 0.000 4.947) 5.037 2.289 ( 6.815 0.000 2.654) 7.313 2.364 ( 0.898 0.000 -4.264) 4.357 2.612 ( -0.116 0.000 2.062) 2.065 2.631 ( 4.491 0.000 3.083) 5.447 2.651 ( 0.995 0.000 9.812) 9.862 2.753 ( 0.445 0.000 -0.300) 0.537 2.881 ( 2.372 0.000 6.072) 6.519 2.943 ( -3.108 0.000 -6.307) 7.031 2.990 ( 4.999 0.000 -8.499) 9.860 3.040 ( 5.894 0.000 1.824) 6.170 3.095 ( 3.630 0.000 -11.298) 11.867 3.270 ( 12.028 0.000 9.191) 15.137 3.387 ( -0.433 0.000 0.148) 0.457 3.511 ( -5.925 0.000 3.707) 6.989 3.570 ( 1.959 0.000 3.661) 4.152 3.592 ( 5.709 0.000 -2.127) 6.093 3.720 ( -0.453 0.000 -2.637) 2.676 3.750 ( 1.273 0.000 -4.445) 4.623 3.832 ( 4.426 0.000 2.037) 4.872 3.947 ( 2.013 0.000 5.729) 6.072 4.000 ( -0.250 0.000 1.868) 1.885 4.006 ( 1.841 0.000 -10.301) 10.464 4.084 ( -2.619 0.000 -2.002) 3.297 4.212 ( 10.860 0.000 -2.475) 11.138 4.403 ( 3.242 0.000 4.996) 5.956 4.403 ( -2.606 0.000 -0.259) 2.619 4.519 ( -3.251 0.000 2.339) 4.005 4.579 ( 3.231 0.000 2.560) 4.122 4.607 ( 2.102 0.000 -4.324) 4.808 4.827 ( 1.409 0.000 1.161) 1.826 4.877 ( 2.873 0.000 2.444) 3.771 5.076 ( 2.483 0.000 -5.459) 5.997 5.235 ( 5.246 0.000 1.694) 5.513 5.301 ( -1.037 0.000 0.739) 1.274 5.315 ( -0.213 0.000 -0.240) 0.321 5.550 ( -1.206 0.000 2.748) 3.001 5.609 ( 3.034 0.000 -3.486) 4.621 5.715 ( -3.448 0.000 5.021) 6.091 5.992 ( 1.381 0.000 -1.707) 2.195 6.055 ( -1.693 0.000 6.398) 6.618 6.505 ( 7.178 0.000 -13.363) 15.169 6.615 ( -3.599 0.000 6.569) 7.491 6.814 ( 0.935 0.000 2.351) 2.531 6.902 ( 1.555 0.000 -5.497) 5.712 6.910 ( 1.045 0.000 0.877) 1.364 7.289 ( 1.523 0.000 8.276) 8.415 7.294 ( -0.709 0.000 -2.978) 3.062 7.588 ( -0.984 0.000 -5.096) 5.190 7.638 ( -3.741 0.000 4.993) 6.239 7.944 ( -3.454 0.000 -2.492) 4.259 8.018 ( -1.237 0.000 -1.243) 1.754 8.173 ( -1.741 0.000 -2.360) 2.933 8.222 ( -3.083 0.000 0.352) 3.103 9.440 ( 2.274 0.000 -1.509) 2.729 9.497 ( -0.089 0.000 -2.851) 2.853 9.758 ( -0.131 0.000 4.704) 4.706 9.835 ( 2.883 0.000 4.996) 5.768 9.901 ( -1.106 0.000 -6.519) 6.612 10.025 ( -1.360 0.000 -1.958) 2.384 10.091 ( -3.301 0.000 -6.751) 7.515 10.099 ( 1.796 0.000 10.269) 10.425 10.310 ( 1.230 0.000 0.788) 1.461 10.313 ( -1.646 0.000 1.457) 2.198 10.772 ( 0.759 0.000 0.314) 0.821 10.883 ( -0.164 0.000 -0.567) 0.590 12.436 ( 4.818 0.000 -1.535) 5.057 12.458 ( 2.769 0.000 0.196) 2.776 12.598 ( -1.814 0.000 0.418) 1.862 12.684 ( -0.366 0.000 -0.695) 0.786 13.843 ( -1.133 0.000 0.231) 1.157 13.981 ( -1.060 0.000 -1.121) 1.543 14.018 ( -1.098 0.000 -1.816) 2.122 14.253 ( 0.841 0.000 2.695) 2.823 14.764 ( -0.987 0.000 1.708) 1.973 14.826 ( -1.579 0.000 1.839) 2.424 14.948 ( -1.019 0.000 -0.554) 1.160 15.006 ( -3.108 0.000 0.558) 3.157 15.313 ( 1.171 0.000 -0.591) 1.312 15.386 ( 0.869 0.000 1.437) 1.680 15.539 ( -2.532 0.000 -5.510) 6.064 15.561 ( -3.228 0.000 5.654) 6.510 15.829 ( 3.569 0.000 1.163) 3.754 15.838 ( 0.759 0.000 -1.119) 1.352 15.957 ( 2.426 0.000 0.335) 2.449 16.033 ( -2.065 0.000 -2.674) 3.379 16.519 ( 0.273 0.000 -0.599) 0.658 16.638 ( 0.237 0.000 1.527) 1.545 16.744 ( 3.213 0.000 2.827) 4.279 16.783 ( -1.166 0.000 -3.159) 3.368 17.411 ( 0.383 0.000 0.501) 0.631 17.442 ( -1.995 0.000 -0.486) 2.054 17.594 ( -2.510 0.000 -0.122) 2.513 17.610 ( -2.723 0.000 0.258) 2.735 21.443 ( 2.226 0.000 -0.842) 2.380 21.483 ( 0.900 0.000 2.661) 2.809 21.699 ( -2.791 0.000 -2.642) 3.843 21.726 ( -3.731 0.000 1.152) 3.905 27.282 ( -5.237 0.000 -2.919) 5.996 27.285 ( -2.367 0.000 3.009) 3.829 27.374 ( -3.740 0.000 6.087) 7.144 27.426 ( -8.098 0.000 -4.481) 9.255 28.762 ( 1.078 0.000 0.529) 1.201 28.764 ( 0.043 0.000 -0.625) 0.627 28.813 ( -2.273 0.000 2.000) 3.028 28.868 ( -2.211 0.000 -0.826) 2.361 29.821 ( 1.116 0.000 0.663) 1.298 29.859 ( 1.138 0.000 0.121) 1.145 30.116 ( -5.706 0.000 0.654) 5.743 30.143 ( -5.320 0.000 -0.906) 5.397 30.570 ( 7.569 0.000 -1.230) 7.668 30.726 ( 7.375 0.000 1.504) 7.527 31.168 ( 3.201 0.000 1.263) 3.441 31.422 ( -1.867 0.000 -1.712) 2.533 31.592 ( 4.652 0.000 1.422) 4.865 31.596 ( 2.889 0.000 -4.276) 5.160 31.733 ( 0.152 0.000 -3.036) 3.040 32.135 ( 10.483 0.000 13.603) 17.173 32.265 ( -2.724 0.000 -7.501) 7.980 32.482 ( 0.893 0.000 2.693) 2.838 33.038 ( 3.142 0.000 -0.328) 3.159 33.115 ( 5.647 0.000 1.598) 5.869 33.368 ( -0.646 0.000 -9.056) 9.079 33.671 ( -4.628 0.000 1.872) 4.992 34.017 ( 2.561 0.000 7.221) 7.662 34.273 ( 1.231 0.000 -7.002) 7.109 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 2.708 0.000 -3.737) 4.616 1.665 ( 10.569 0.000 -1.409) 10.662 1.766 ( 7.614 0.000 6.943) 10.304 1.818 ( 2.432 0.000 -1.635) 2.930 2.027 ( 5.712 0.000 -3.419) 6.657 2.119 ( 8.571 0.000 -3.107) 9.117 2.264 ( 1.991 0.000 0.345) 2.021 2.389 ( 4.945 0.000 -2.545) 5.561 2.429 ( 7.954 0.000 -0.166) 7.955 2.622 ( -0.808 0.000 1.396) 1.613 2.660 ( -1.612 0.000 3.258) 3.635 2.676 ( -6.051 0.000 4.971) 7.831 2.721 ( -4.024 0.000 -1.843) 4.426 2.850 ( 0.364 0.000 3.567) 3.586 2.906 ( -6.352 0.000 5.406) 8.341 2.944 ( 0.671 0.000 -14.057) 14.073 3.132 ( 5.276 0.000 0.655) 5.317 3.145 ( 6.853 0.000 -3.090) 7.518 3.313 ( -7.973 0.000 2.273) 8.291 3.384 ( -2.245 0.000 3.335) 4.020 3.508 ( 4.621 0.000 6.590) 8.048 3.527 ( -5.909 0.000 -4.117) 7.201 3.658 ( -4.847 0.000 -1.260) 5.008 3.694 ( 1.076 0.000 0.220) 1.098 3.719 ( -1.880 0.000 -10.295) 10.465 3.809 ( -7.248 0.000 2.498) 7.666 3.877 ( 1.018 0.000 0.393) 1.092 4.100 ( 6.302 0.000 -3.207) 7.071 4.145 ( 10.715 0.000 6.206) 12.382 4.155 ( 5.327 0.000 -0.639) 5.366 4.331 ( -3.825 0.000 1.015) 3.957 4.369 ( 6.909 0.000 -2.357) 7.300 4.463 ( -0.260 0.000 2.415) 2.429 4.521 ( 0.427 0.000 0.167) 0.459 4.638 ( 4.933 0.000 -2.573) 5.564 4.668 ( 2.712 0.000 2.968) 4.020 4.869 ( 2.230 0.000 0.670) 2.328 4.916 ( 0.466 0.000 0.029) 0.467 5.101 ( 1.002 0.000 -0.943) 1.375 5.326 ( 2.666 0.000 -1.182) 2.916 5.348 ( 7.383 0.000 -0.739) 7.420 5.393 ( 8.840 0.000 3.752) 9.603 5.575 ( 3.639 0.000 -3.068) 4.759 5.634 ( 1.621 0.000 -0.893) 1.851 5.671 ( -4.843 0.000 3.993) 6.277 5.983 ( -10.184 0.000 4.375) 11.084 6.009 ( 0.748 0.000 -0.762) 1.068 6.458 ( -2.722 0.000 -8.537) 8.960 6.629 ( 1.559 0.000 1.940) 2.489 6.880 ( 0.032 0.000 -2.556) 2.556 6.885 ( 3.607 0.000 3.122) 4.770 6.945 ( 0.725 0.000 2.589) 2.689 7.248 ( -1.239 0.000 -3.550) 3.760 7.368 ( 1.711 0.000 4.189) 4.525 7.561 ( 0.883 0.000 -2.936) 3.066 7.615 ( -2.322 0.000 3.449) 4.158 7.887 ( -1.716 0.000 -0.384) 1.759 7.968 ( -3.174 0.000 -0.290) 3.188 8.135 ( -0.766 0.000 -1.571) 1.748 8.176 ( -1.552 0.000 -0.108) 1.556 9.465 ( 1.448 0.000 -1.029) 1.777 9.508 ( 2.264 0.000 -0.454) 2.309 9.782 ( -2.959 0.000 3.282) 4.418 9.833 ( 1.065 0.000 -4.015) 4.154 9.903 ( 1.307 0.000 2.600) 2.909 9.976 ( -2.048 0.000 -0.539) 2.118 9.981 ( -3.091 0.000 -6.205) 6.933 10.192 ( 1.194 0.000 3.725) 3.912 10.308 ( -0.144 0.000 2.340) 2.345 10.332 ( 0.540 0.000 0.681) 0.869 10.792 ( 0.863 0.000 0.611) 1.057 10.877 ( -0.090 0.000 -0.248) 0.264 12.497 ( 3.077 0.000 -2.211) 3.789 12.514 ( 2.651 0.000 1.041) 2.848 12.578 ( -1.198 0.000 1.705) 2.083 12.658 ( -1.416 0.000 -1.414) 2.001 13.835 ( -0.144 0.000 0.378) 0.404 13.957 ( -0.258 0.000 -1.525) 1.547 13.993 ( -0.802 0.000 -0.301) 0.857 14.290 ( 0.898 0.000 2.101) 2.285 14.765 ( 0.159 0.000 0.494) 0.519 14.820 ( -0.175 0.000 0.511) 0.540 14.924 ( -1.039 0.000 -0.640) 1.221 14.955 ( -2.630 0.000 0.570) 2.691 15.321 ( 0.190 0.000 -0.740) 0.764 15.417 ( 1.265 0.000 1.339) 1.842 15.462 ( -1.492 0.000 -3.501) 3.806 15.538 ( -2.675 0.000 2.621) 3.745 15.839 ( 0.269 0.000 -0.781) 0.826 15.891 ( 1.972 0.000 1.039) 2.229 15.998 ( 1.467 0.000 0.514) 1.555 16.003 ( -0.083 0.000 -1.035) 1.039 16.544 ( 2.227 0.000 0.761) 2.354 16.632 ( -0.801 0.000 0.043) 0.802 16.723 ( -2.629 0.000 -2.795) 3.838 16.819 ( 2.064 0.000 2.404) 3.168 17.406 ( -1.373 0.000 -0.623) 1.507 17.418 ( 0.114 0.000 0.119) 0.165 17.556 ( -1.508 0.000 0.235) 1.526 17.570 ( -1.692 0.000 0.282) 1.715 21.491 ( 3.551 0.000 -0.714) 3.622 21.518 ( 1.045 0.000 1.454) 1.791 21.636 ( -2.028 0.000 -1.737) 2.670 21.660 ( -4.189 0.000 0.831) 4.271 27.186 ( -2.907 0.000 -1.785) 3.411 27.269 ( -1.292 0.000 1.694) 2.130 27.276 ( -4.562 0.000 -3.093) 5.512 27.355 ( -2.116 0.000 3.172) 3.813 28.764 ( 0.287 0.000 -0.056) 0.292 28.781 ( 0.802 0.000 -0.193) 0.825 28.792 ( -1.373 0.000 1.474) 2.014 28.825 ( -1.577 0.000 -0.943) 1.838 29.851 ( 1.666 0.000 0.261) 1.686 29.892 ( 2.516 0.000 -0.343) 2.539 30.025 ( -4.756 0.000 0.827) 4.827 30.044 ( -4.248 0.000 -0.889) 4.340 30.699 ( 6.479 0.000 -0.217) 6.483 30.851 ( 4.688 0.000 0.851) 4.764 31.172 ( -2.732 0.000 0.499) 2.778 31.392 ( -0.387 0.000 -0.493) 0.626 31.619 ( 3.102 0.000 -3.055) 4.354 31.695 ( 4.855 0.000 2.755) 5.582 31.746 ( 1.589 0.000 -0.628) 1.709 32.101 ( -6.958 0.000 -5.131) 8.646 32.385 ( 5.909 0.000 6.172) 8.544 32.503 ( -0.205 0.000 1.505) 1.519 33.100 ( 2.500 0.000 1.977) 3.187 33.229 ( 4.817 0.000 1.757) 5.127 33.304 ( 0.369 0.000 -7.078) 7.088 33.595 ( -3.943 0.000 -0.242) 3.951 34.105 ( 1.727 0.000 4.361) 4.691 34.251 ( 0.628 0.000 -3.319) 3.378 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.850 ( -0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.163 ( -0.000 0.000 0.000) 0.000 2.325 ( -0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.605 ( -0.000 0.000 -0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.792 ( -0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.935 ( -0.000 0.000 -0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.502 ( -0.000 0.000 -0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.719 ( -0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.192 ( -0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.697 ( -0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 -0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.095 ( -0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 -0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.824 ( -0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.381 ( -0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 -0.000) 0.000 6.942 ( -0.000 0.000 -0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 -0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.735 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 9.925 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.340 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 12.515 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 12.576 ( -0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 13.836 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 -0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.308 ( 0.000 0.000 0.000) 0.000 14.770 ( 0.000 0.000 0.000) 0.000 14.822 ( 0.000 0.000 0.000) 0.000 14.909 ( 0.000 0.000 0.000) 0.000 14.931 ( 0.000 0.000 0.000) 0.000 15.316 ( 0.000 0.000 0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 15.439 ( 0.000 0.000 0.000) 0.000 15.517 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 16.000 ( 0.000 0.000 0.000) 0.000 16.014 ( 0.000 0.000 0.000) 0.000 16.586 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.670 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 17.419 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 17.556 ( 0.000 0.000 0.000) 0.000 21.536 ( 0.000 0.000 0.000) 0.000 21.540 ( -0.000 0.000 0.000) 0.000 21.606 ( 0.000 0.000 0.000) 0.000 21.607 ( 0.000 0.000 0.000) 0.000 27.153 ( 0.000 0.000 0.000) 0.000 27.221 ( 0.000 0.000 0.000) 0.000 27.264 ( 0.000 0.000 0.000) 0.000 27.348 ( 0.000 0.000 0.000) 0.000 28.769 ( 0.000 0.000 0.000) 0.000 28.783 ( 0.000 0.000 -0.000) 0.000 28.789 ( -0.000 0.000 0.000) 0.000 28.804 ( 0.000 0.000 0.000) 0.000 29.873 ( 0.000 0.000 0.000) 0.000 29.933 ( 0.000 0.000 -0.000) 0.000 29.965 ( -0.000 0.000 0.000) 0.000 29.995 ( 0.000 0.000 0.000) 0.000 30.769 ( 0.000 0.000 0.000) 0.000 30.898 ( 0.000 0.000 0.000) 0.000 31.134 ( 0.000 0.000 0.000) 0.000 31.390 ( 0.000 0.000 0.000) 0.000 31.641 ( 0.000 0.000 0.000) 0.000 31.760 ( 0.000 0.000 0.000) 0.000 31.779 ( 0.000 0.000 0.000) 0.000 31.982 ( 0.000 0.000 0.000) 0.000 32.462 ( 0.000 0.000 0.000) 0.000 32.505 ( 0.000 0.000 0.000) 0.000 33.137 ( 0.000 0.000 0.000) 0.000 33.277 ( 0.000 0.000 -0.000) 0.000 33.289 ( 0.000 0.000 0.000) 0.000 33.549 ( 0.000 0.000 0.000) 0.000 34.139 ( 0.000 0.000 0.000) 0.000 34.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 24.685 0.000) 24.685 0.547 ( 0.000 27.116 0.000) 27.116 0.966 ( 0.000 44.950 0.000) 44.950 1.591 ( 0.000 3.981 0.000) 3.981 1.699 ( 0.000 1.173 0.000) 1.173 1.863 ( 0.000 1.937 0.000) 1.937 1.922 ( 0.000 -3.196 0.000) 3.196 2.024 ( 0.000 1.313 0.000) 1.313 2.074 ( 0.000 2.172 0.000) 2.172 2.097 ( 0.000 -1.244 0.000) 1.244 2.240 ( 0.000 -5.349 0.000) 5.349 2.395 ( 0.000 6.190 0.000) 6.190 2.514 ( 0.000 0.268 0.000) 0.268 2.559 ( 0.000 -4.205 0.000) 4.205 2.656 ( 0.000 -1.960 0.000) 1.960 2.840 ( 0.000 -5.089 0.000) 5.089 3.011 ( 0.000 -0.326 0.000) 0.326 3.049 ( 0.000 -9.355 0.000) 9.355 3.078 ( 0.000 -3.210 0.000) 3.210 3.296 ( 0.000 8.117 0.000) 8.117 3.423 ( 0.000 -0.231 0.000) 0.231 3.448 ( 0.000 0.178 0.000) 0.178 3.504 ( 0.000 6.667 0.000) 6.667 3.607 ( 0.000 -6.118 0.000) 6.118 3.744 ( 0.000 0.121 0.000) 0.121 3.878 ( 0.000 0.062 0.000) 0.062 4.020 ( 0.000 -2.634 0.000) 2.634 4.075 ( 0.000 -1.741 0.000) 1.741 4.078 ( 0.000 5.404 0.000) 5.404 4.130 ( 0.000 -0.982 0.000) 0.982 4.189 ( 0.000 -9.354 0.000) 9.354 4.258 ( 0.000 0.262 0.000) 0.262 4.416 ( 0.000 0.467 0.000) 0.467 4.430 ( 0.000 2.588 0.000) 2.588 4.501 ( 0.000 3.953 0.000) 3.953 4.601 ( 0.000 4.542 0.000) 4.542 4.755 ( 0.000 5.287 0.000) 5.287 4.951 ( 0.000 -0.668 0.000) 0.668 4.994 ( 0.000 -5.753 0.000) 5.753 5.211 ( 0.000 4.512 0.000) 4.512 5.338 ( 0.000 -4.619 0.000) 4.619 5.391 ( 0.000 -2.251 0.000) 2.251 5.500 ( 0.000 -1.724 0.000) 1.724 5.590 ( 0.000 0.140 0.000) 0.140 5.716 ( 0.000 -0.580 0.000) 0.580 5.811 ( 0.000 3.579 0.000) 3.579 6.125 ( 0.000 1.692 0.000) 1.692 6.313 ( 0.000 3.731 0.000) 3.731 6.739 ( 0.000 4.282 0.000) 4.282 6.765 ( 0.000 -0.279 0.000) 0.279 6.827 ( 0.000 -4.946 0.000) 4.946 6.985 ( 0.000 -0.373 0.000) 0.373 7.063 ( 0.000 0.710 0.000) 0.710 7.153 ( 0.000 4.000 0.000) 4.000 7.770 ( 0.000 2.894 0.000) 2.894 7.947 ( 0.000 -5.733 0.000) 5.733 8.032 ( 0.000 -1.500 0.000) 1.500 8.078 ( 0.000 2.088 0.000) 2.088 8.158 ( 0.000 -0.268 0.000) 0.268 8.305 ( 0.000 0.420 0.000) 0.420 9.387 ( 0.000 4.586 0.000) 4.586 9.574 ( 0.000 -3.083 0.000) 3.083 9.697 ( 0.000 -0.655 0.000) 0.655 9.757 ( 0.000 1.022 0.000) 1.022 9.864 ( 0.000 2.484 0.000) 2.484 9.874 ( 0.000 2.289 0.000) 2.289 10.124 ( 0.000 -3.718 0.000) 3.718 10.191 ( 0.000 -2.381 0.000) 2.381 10.286 ( 0.000 -1.821 0.000) 1.821 10.370 ( 0.000 1.636 0.000) 1.636 10.680 ( 0.000 -7.853 0.000) 7.853 10.827 ( 0.000 -7.542 0.000) 7.542 12.318 ( 0.000 3.869 0.000) 3.869 12.319 ( 0.000 3.997 0.000) 3.997 12.628 ( 0.000 -1.183 0.000) 1.183 12.673 ( 0.000 -1.451 0.000) 1.451 13.944 ( 0.000 -1.475 0.000) 1.475 14.029 ( 0.000 1.544 0.000) 1.544 14.114 ( 0.000 -1.485 0.000) 1.485 14.323 ( 0.000 -5.162 0.000) 5.162 14.680 ( 0.000 -3.432 0.000) 3.432 14.944 ( 0.000 -6.271 0.000) 6.271 15.002 ( 0.000 4.200 0.000) 4.200 15.191 ( 0.000 -3.577 0.000) 3.577 15.405 ( 0.000 3.833 0.000) 3.833 15.494 ( 0.000 0.902 0.000) 0.902 15.614 ( 0.000 1.187 0.000) 1.187 15.689 ( 0.000 2.433 0.000) 2.433 15.796 ( 0.000 1.518 0.000) 1.518 15.888 ( 0.000 2.530 0.000) 2.530 16.073 ( 0.000 -0.183 0.000) 0.183 16.211 ( 0.000 -7.012 0.000) 7.012 16.429 ( 0.000 0.259 0.000) 0.259 16.565 ( 0.000 -3.439 0.000) 3.439 16.627 ( 0.000 -1.568 0.000) 1.568 16.657 ( 0.000 0.253 0.000) 0.253 17.393 ( 0.000 1.814 0.000) 1.814 17.597 ( 0.000 2.126 0.000) 2.126 17.671 ( 0.000 -1.993 0.000) 1.993 17.714 ( 0.000 -0.105 0.000) 0.105 21.399 ( 0.000 4.167 0.000) 4.167 21.463 ( 0.000 1.070 0.000) 1.070 21.848 ( 0.000 1.509 0.000) 1.509 21.868 ( 0.000 1.900 0.000) 1.900 27.340 ( 0.000 0.423 0.000) 0.423 27.345 ( 0.000 0.451 0.000) 0.451 27.897 ( 0.000 4.383 0.000) 4.383 28.226 ( 0.000 -1.536 0.000) 1.536 28.702 ( 0.000 -0.483 0.000) 0.483 28.736 ( 0.000 -2.749 0.000) 2.749 28.919 ( 0.000 5.582 0.000) 5.582 29.310 ( 0.000 -2.605 0.000) 2.605 29.790 ( 0.000 1.716 0.000) 1.716 29.992 ( 0.000 -1.967 0.000) 1.967 30.282 ( 0.000 2.743 0.000) 2.743 30.373 ( 0.000 1.671 0.000) 1.671 30.437 ( 0.000 1.148 0.000) 1.148 30.452 ( 0.000 0.410 0.000) 0.410 30.793 ( 0.000 -0.164 0.000) 0.164 31.086 ( 0.000 -5.065 0.000) 5.065 31.481 ( 0.000 0.665 0.000) 0.665 31.560 ( 0.000 -0.908 0.000) 0.908 31.832 ( 0.000 0.763 0.000) 0.763 31.956 ( 0.000 -1.256 0.000) 1.256 32.049 ( 0.000 0.971 0.000) 0.971 32.226 ( 0.000 -1.755 0.000) 1.755 32.430 ( 0.000 0.613 0.000) 0.613 32.811 ( 0.000 -10.408 0.000) 10.408 33.507 ( 0.000 10.313 0.000) 10.313 33.893 ( 0.000 -1.050 0.000) 1.050 33.924 ( 0.000 3.783 0.000) 3.783 34.343 ( 0.000 -3.082 0.000) 3.082 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 13.767 16.207 13.073) 24.961 0.803 ( 18.997 16.190 9.788) 26.811 1.386 ( 33.014 24.624 8.626) 42.079 1.580 ( 4.185 1.867 -9.945) 10.949 1.747 ( 7.449 -0.084 3.117) 8.075 1.837 ( -5.659 -0.316 -8.670) 10.359 1.954 ( 5.028 0.679 -3.256) 6.028 2.066 ( 2.240 -1.343 -2.581) 3.672 2.097 ( 8.405 -2.913 5.720) 10.576 2.265 ( 10.926 3.776 5.766) 12.918 2.388 ( 5.390 -4.492 10.422) 12.564 2.447 ( 6.154 5.223 1.289) 8.173 2.515 ( 3.085 -4.291 -2.131) 5.699 2.640 ( 3.550 -2.311 1.741) 4.580 2.691 ( 3.801 -1.259 0.565) 4.044 2.871 ( 3.672 -5.608 -1.941) 6.979 2.926 ( -4.054 -0.947 0.474) 4.190 3.021 ( 0.459 -6.090 -1.951) 6.411 3.163 ( 10.325 -0.510 -9.329) 13.925 3.360 ( 1.324 -2.374 0.523) 2.768 3.409 ( 3.552 8.904 -11.641) 15.080 3.446 ( 1.582 4.030 2.000) 4.770 3.538 ( 3.374 0.877 3.525) 4.958 3.587 ( -4.875 -2.034 4.640) 7.031 3.761 ( 2.104 -0.198 3.450) 4.046 3.866 ( -1.516 1.036 1.754) 2.540 3.969 ( -3.360 -4.658 -0.342) 5.754 4.041 ( -2.752 7.742 -0.456) 8.229 4.079 ( -0.573 -5.201 -3.305) 6.189 4.130 ( 0.645 1.387 -1.788) 2.353 4.242 ( -0.538 -1.803 0.610) 1.978 4.256 ( 0.608 -2.390 7.302) 7.708 4.393 ( -0.120 -1.599 -0.690) 1.746 4.460 ( -1.105 -0.816 1.012) 1.706 4.549 ( 3.521 3.494 2.490) 5.550 4.619 ( 2.172 1.547 -2.503) 3.657 4.808 ( 0.856 6.004 3.861) 7.189 4.881 ( -3.078 -0.190 -0.531) 3.129 5.037 ( 2.999 -5.753 -3.385) 7.318 5.279 ( 0.340 4.907 -0.344) 4.931 5.354 ( 2.020 -5.637 -1.385) 6.146 5.361 ( -0.972 -2.019 -2.381) 3.269 5.453 ( -2.368 -1.635 3.664) 4.660 5.602 ( -4.798 -0.523 1.270) 4.991 5.639 ( 1.849 -0.244 2.160) 2.854 5.894 ( 0.251 1.363 6.881) 7.019 6.105 ( -0.101 4.827 -3.098) 5.736 6.374 ( 7.882 -3.341 -7.480) 11.368 6.639 ( -4.674 3.083 -0.121) 5.600 6.760 ( -1.016 -3.285 -0.538) 3.480 6.965 ( 1.038 0.080 -1.310) 1.673 6.966 ( 4.977 2.845 1.929) 6.049 7.091 ( 0.807 3.092 -2.143) 3.848 7.196 ( 4.256 -5.489 3.109) 7.610 7.678 ( -7.429 1.471 4.710) 8.918 7.943 ( -1.924 3.116 -5.806) 6.865 8.018 ( -0.514 -3.009 -2.343) 3.848 8.060 ( 0.208 -6.005 -2.156) 6.383 8.228 ( 2.225 0.578 3.503) 4.190 8.288 ( -0.857 1.126 -0.915) 1.685 9.402 ( 1.201 4.023 0.080) 4.200 9.618 ( 1.911 -1.891 1.067) 2.893 9.682 ( 0.621 1.469 -3.318) 3.681 9.769 ( -1.857 1.820 4.541) 5.233 9.839 ( -0.496 1.287 7.112) 7.245 9.930 ( 3.991 0.853 -3.148) 5.154 10.114 ( -0.957 -2.855 -1.064) 3.194 10.190 ( -0.970 -3.185 1.770) 3.771 10.250 ( -0.286 -1.915 -5.034) 5.393 10.362 ( -1.405 1.771 0.997) 2.471 10.677 ( -0.076 -8.061 -0.450) 8.074 10.822 ( -0.180 -7.668 -0.680) 7.700 12.335 ( 2.538 4.565 -0.375) 5.237 12.371 ( 3.196 0.817 0.216) 3.306 12.640 ( 0.592 -1.419 0.523) 1.624 12.665 ( -0.503 -0.976 -0.280) 1.133 13.931 ( -1.930 -1.015 0.907) 2.362 14.010 ( -2.025 0.649 0.690) 2.236 14.088 ( -1.524 -1.401 -2.382) 3.156 14.256 ( -3.755 -1.596 -1.432) 4.324 14.712 ( -0.015 -4.114 5.864) 7.164 14.903 ( -2.014 -4.516 -3.986) 6.351 15.009 ( -0.444 2.192 1.627) 2.766 15.174 ( -2.842 -0.968 0.518) 3.047 15.368 ( -8.869 8.340 -1.083) 12.223 15.407 ( -1.810 4.519 -0.255) 4.874 15.610 ( -4.250 3.877 2.301) 6.196 15.635 ( 1.099 0.923 -0.379) 1.484 15.752 ( -0.310 4.568 1.142) 4.719 15.883 ( -1.532 4.272 0.819) 4.612 15.915 ( 0.042 3.326 -3.973) 5.182 16.214 ( -2.722 -4.155 -0.180) 4.970 16.437 ( 2.894 -1.503 -0.352) 3.280 16.561 ( -0.872 -2.323 -1.092) 2.711 16.632 ( 1.529 -1.844 0.568) 2.462 16.765 ( 5.212 -3.929 -3.519) 7.415 17.380 ( -0.330 0.963 -0.078) 1.021 17.560 ( -2.395 3.115 -0.195) 3.934 17.662 ( -0.833 -2.389 -1.516) 2.950 17.697 ( -1.742 -0.278 -0.047) 1.765 21.426 ( 0.590 2.764 2.628) 3.860 21.461 ( -0.821 1.917 2.449) 3.217 21.828 ( -2.577 1.077 0.885) 2.930 21.836 ( -2.225 1.285 -1.175) 2.826 27.332 ( -1.653 0.470 2.237) 2.821 27.357 ( -1.412 -0.577 4.774) 5.012 27.821 ( -8.021 4.890 -1.938) 9.592 27.892 ( -19.784 14.035 -3.223) 24.470 28.709 ( 0.668 -0.541 0.257) 0.897 28.739 ( 0.131 -2.532 0.083) 2.537 28.915 ( -1.773 4.354 2.507) 5.328 29.075 ( -10.673 7.052 0.402) 12.799 29.801 ( -0.946 0.899 3.186) 3.443 29.880 ( -4.285 1.415 1.402) 4.725 30.278 ( -0.671 1.664 0.192) 1.805 30.326 ( -4.707 1.103 0.059) 4.835 30.437 ( 1.616 1.702 -1.447) 2.757 30.488 ( 3.878 1.176 0.154) 4.055 30.909 ( 8.960 -1.554 -3.965) 9.920 31.211 ( 10.203 -6.817 2.892) 12.607 31.498 ( -0.403 3.453 -0.096) 3.478 31.540 ( 3.550 2.794 -0.597) 4.556 31.608 ( 1.037 3.099 0.556) 3.315 31.938 ( -3.723 -1.211 -8.233) 9.117 32.300 ( 6.638 -1.031 1.953) 6.996 32.416 ( 0.605 0.753 -1.310) 1.627 32.713 ( 19.862 -16.381 6.190) 26.479 32.854 ( 6.638 -11.179 -0.814) 13.027 33.500 ( -1.090 5.898 0.145) 6.000 33.843 ( -5.949 3.109 2.114) 7.037 33.883 ( -2.640 1.023 1.482) 3.196 34.312 ( 1.466 -3.777 -10.013) 10.801 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 15.961 7.019 12.451) 21.426 1.246 ( 20.906 8.783 6.550) 23.603 1.566 ( 2.980 -0.190 -12.849) 13.192 1.669 ( 0.631 4.281 -11.173) 11.982 1.848 ( 7.346 -6.509 1.882) 9.994 1.978 ( 2.034 1.151 -4.477) 5.051 2.075 ( 13.374 6.966 9.686) 17.922 2.129 ( 6.570 -1.340 3.512) 7.569 2.334 ( 12.324 -3.585 4.579) 13.627 2.420 ( 2.639 2.366 -3.187) 4.766 2.574 ( 6.115 5.458 6.940) 10.740 2.614 ( 7.493 1.539 0.678) 7.679 2.640 ( 10.135 -2.149 4.612) 11.340 2.699 ( 3.666 -6.173 3.470) 7.974 2.783 ( 6.340 -1.941 1.557) 6.811 2.852 ( 3.537 -2.732 -2.543) 5.142 3.027 ( 2.131 -1.095 -1.276) 2.714 3.043 ( 8.348 -3.716 -4.058) 9.999 3.292 ( 3.929 6.863 -10.112) 12.838 3.334 ( 10.650 -2.356 -10.165) 14.910 3.411 ( 0.284 1.182 2.300) 2.601 3.524 ( 2.090 6.368 1.179) 6.806 3.559 ( 1.124 -3.515 2.607) 4.518 3.685 ( 9.064 1.433 2.822) 9.600 3.793 ( -5.070 1.520 0.838) 5.359 3.835 ( -2.184 2.435 4.257) 5.368 3.935 ( 0.786 -2.876 -0.572) 3.036 4.008 ( 2.351 5.528 -4.281) 7.377 4.040 ( -0.299 0.898 -4.945) 5.035 4.087 ( -3.526 -0.356 3.313) 4.852 4.228 ( -1.575 1.158 -2.715) 3.346 4.317 ( 0.185 -0.586 6.456) 6.485 4.372 ( -0.872 -2.436 -0.096) 2.589 4.491 ( 4.785 -2.571 -0.352) 5.443 4.595 ( -0.141 2.026 1.101) 2.310 4.647 ( 2.040 1.727 -2.636) 3.754 4.792 ( -2.475 0.331 3.719) 4.479 4.877 ( -0.444 4.364 2.873) 5.244 5.072 ( 3.690 -3.512 -2.915) 5.869 5.171 ( -3.660 2.286 -6.266) 7.608 5.326 ( -1.640 -1.261 -2.081) 2.934 5.410 ( 0.848 0.746 -0.113) 1.135 5.454 ( 1.309 -4.746 0.749) 4.980 5.561 ( -5.145 -2.915 9.730) 11.386 5.692 ( 2.980 -0.165 -1.365) 3.282 5.935 ( -1.335 -2.007 7.803) 8.167 6.097 ( 1.173 6.604 -1.417) 6.855 6.449 ( 7.720 -3.793 -10.534) 13.600 6.597 ( -2.262 0.758 4.758) 5.322 6.738 ( 0.021 -3.142 -1.183) 3.358 6.930 ( -0.427 2.209 -2.898) 3.669 7.012 ( 1.148 6.427 -4.489) 7.923 7.162 ( 2.556 -0.295 8.074) 8.474 7.295 ( 4.603 -3.889 0.497) 6.046 7.597 ( -5.407 1.787 4.757) 7.420 7.846 ( -3.748 6.345 -4.084) 8.426 7.959 ( -3.808 -8.178 -3.708) 9.753 8.031 ( 0.198 -0.787 -3.508) 3.601 8.225 ( -2.392 -0.242 -0.714) 2.508 8.293 ( -0.104 2.444 1.235) 2.740 9.421 ( 1.051 2.193 -0.833) 2.571 9.587 ( -1.346 3.008 -4.397) 5.494 9.733 ( 2.082 1.646 2.650) 3.751 9.775 ( 0.151 1.556 4.982) 5.222 9.936 ( 2.790 -0.703 6.562) 7.165 9.958 ( 1.784 0.799 -1.696) 2.588 10.073 ( -2.982 -2.186 0.774) 3.777 10.152 ( -2.363 -3.411 -3.333) 5.322 10.244 ( 1.697 -2.841 -1.248) 3.537 10.331 ( -2.377 0.037 0.461) 2.422 10.675 ( 0.301 -8.413 -0.242) 8.422 10.812 ( -0.296 -7.766 -0.771) 7.810 12.392 ( 3.784 3.243 -0.828) 5.051 12.426 ( 3.082 1.780 -0.104) 3.561 12.627 ( -1.418 -0.831 -0.365) 1.684 12.674 ( 0.849 -0.768 0.268) 1.176 13.888 ( -2.742 0.684 0.337) 2.846 13.983 ( -1.902 -1.667 1.964) 3.202 14.036 ( -1.122 -1.519 -4.249) 4.650 14.210 ( -1.139 -2.452 0.832) 2.829 14.745 ( -0.514 -2.300 3.023) 3.833 14.838 ( -1.811 -3.864 -1.559) 4.543 15.007 ( -1.242 2.037 1.755) 2.962 15.090 ( -5.083 4.610 0.325) 6.870 15.282 ( -0.312 1.539 -0.708) 1.723 15.400 ( -0.369 2.731 1.118) 2.974 15.585 ( -2.201 1.881 3.702) 4.700 15.646 ( -0.368 1.499 -1.773) 2.350 15.760 ( 1.003 0.960 -0.137) 1.395 15.883 ( 0.952 4.981 0.031) 5.072 15.924 ( 1.924 0.976 -0.811) 2.305 16.127 ( -4.293 -0.160 -2.649) 5.047 16.526 ( 4.660 -3.579 2.127) 6.249 16.532 ( -0.883 -0.673 -0.926) 1.446 16.671 ( 1.898 -1.491 1.290) 2.736 16.789 ( 1.114 -2.640 -3.493) 4.518 17.386 ( 0.488 -0.262 0.684) 0.880 17.513 ( -2.480 2.404 -0.448) 3.483 17.622 ( -2.421 -2.238 -0.491) 3.333 17.654 ( -2.781 -0.569 0.078) 2.840 21.444 ( 0.551 2.344 0.145) 2.413 21.480 ( 0.190 2.596 3.417) 4.296 21.766 ( -3.660 0.013 -1.019) 3.799 21.785 ( -2.885 0.396 -0.069) 2.913 27.314 ( -2.499 0.637 3.320) 4.204 27.355 ( -2.597 -0.758 3.887) 4.736 27.566 ( -12.178 9.639 -0.801) 15.552 27.654 ( -9.965 3.179 -3.267) 10.958 28.728 ( 1.004 -0.741 0.410) 1.313 28.743 ( 0.333 -1.669 -0.158) 1.709 28.889 ( -2.748 3.569 1.969) 4.916 28.956 ( -4.174 3.428 -0.117) 5.403 29.805 ( -0.356 0.369 1.662) 1.739 29.848 ( -0.898 -0.171 0.812) 1.223 30.222 ( -6.007 0.303 0.226) 6.018 30.236 ( -4.424 0.147 0.065) 4.427 30.489 ( 5.659 2.900 -2.129) 6.706 30.595 ( 6.973 1.487 0.962) 7.194 31.045 ( 7.574 -0.951 -0.711) 7.666 31.354 ( 3.307 -8.547 -1.547) 9.294 31.521 ( 3.272 3.735 -0.039) 4.965 31.635 ( 2.390 4.189 -0.585) 4.858 31.765 ( 12.825 -1.341 10.301) 16.504 31.812 ( -2.898 -0.112 -6.288) 6.925 32.374 ( 0.443 1.948 -5.122) 5.498 32.454 ( 4.445 3.241 3.411) 6.473 32.891 ( 6.305 -6.116 -1.338) 8.885 33.035 ( 8.456 -4.027 -0.096) 9.366 33.456 ( -2.528 2.013 -3.466) 4.739 33.764 ( -5.196 2.807 3.885) 7.070 33.864 ( -0.768 -4.333 3.227) 5.456 34.259 ( 0.570 -4.970 -7.881) 9.335 ======================= Grid point 14 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 12.590 2.958 6.357) 14.410 1.547 ( 6.050 -0.024 -3.290) 6.887 1.603 ( 12.103 3.188 -3.964) 13.129 1.716 ( 12.426 5.831 -2.830) 14.015 1.919 ( 2.708 -4.748 -2.444) 5.987 2.013 ( 5.331 0.532 -3.625) 6.469 2.210 ( 2.934 -3.830 3.628) 6.036 2.297 ( 4.885 0.330 1.589) 5.148 2.401 ( -0.406 4.417 -1.973) 4.855 2.502 ( 2.118 -8.772 3.797) 9.790 2.682 ( -0.506 0.689 7.431) 7.480 2.702 ( 4.013 6.718 -1.318) 7.935 2.738 ( 1.907 -1.430 1.392) 2.760 2.793 ( 3.291 -4.048 2.277) 5.692 2.942 ( 0.017 -2.856 1.815) 3.384 2.965 ( 7.504 -2.822 -4.559) 9.223 3.074 ( 0.431 -0.182 -6.366) 6.383 3.124 ( 7.129 5.668 -9.337) 13.044 3.318 ( 7.194 5.454 6.952) 11.394 3.392 ( -3.513 -3.373 5.623) 7.439 3.492 ( 6.672 -1.943 -1.634) 7.139 3.590 ( -2.636 4.932 3.304) 6.496 3.627 ( 5.300 1.122 -0.041) 5.418 3.675 ( -1.242 -3.242 -3.934) 5.247 3.755 ( -4.323 2.778 -1.728) 5.421 3.887 ( 5.722 -1.360 2.322) 6.323 3.952 ( -2.951 7.209 -0.551) 7.809 3.980 ( 1.307 0.382 -7.082) 7.212 4.045 ( 0.914 3.382 2.045) 4.057 4.132 ( 9.147 2.461 -3.807) 10.208 4.196 ( 3.321 -0.782 -0.130) 3.414 4.352 ( 0.942 -3.106 1.620) 3.627 4.423 ( 4.239 0.757 2.418) 4.938 4.546 ( -5.044 3.573 0.832) 6.237 4.594 ( 4.611 0.017 0.513) 4.640 4.646 ( 1.022 2.102 -0.515) 2.393 4.844 ( 3.863 -2.928 2.865) 5.630 4.892 ( 0.678 5.741 2.363) 6.245 5.081 ( 2.325 0.273 -5.763) 6.220 5.166 ( 4.083 -6.268 0.563) 7.502 5.282 ( 0.208 -2.719 -3.062) 4.100 5.362 ( -3.293 3.406 0.074) 4.738 5.534 ( 4.631 -6.091 -0.491) 7.667 5.557 ( -1.313 0.917 6.590) 6.782 5.706 ( -0.944 0.217 0.163) 0.982 5.967 ( -0.862 -2.302 4.627) 5.239 6.100 ( -0.957 3.661 -0.103) 3.786 6.485 ( 2.914 -4.427 -8.575) 10.080 6.612 ( 1.295 2.491 2.769) 3.943 6.761 ( 2.807 -1.660 0.049) 3.261 6.916 ( 0.693 1.703 -0.881) 2.039 7.004 ( 0.574 5.859 -1.865) 6.175 7.240 ( 0.250 -0.081 5.395) 5.402 7.370 ( 3.389 0.201 -0.340) 3.412 7.555 ( -2.760 2.222 4.122) 5.436 7.739 ( -5.590 4.315 -1.746) 7.275 7.869 ( -1.962 -5.994 -3.107) 7.031 8.010 ( -0.503 -0.465 -2.444) 2.538 8.172 ( -2.296 -0.065 -0.642) 2.385 8.275 ( -2.123 3.729 0.114) 4.293 9.433 ( 1.148 0.757 -0.752) 1.567 9.548 ( 0.466 4.220 -3.175) 5.301 9.762 ( -0.017 0.621 3.216) 3.276 9.838 ( 1.467 -0.803 1.189) 2.052 9.929 ( -0.992 2.660 -1.326) 3.133 9.992 ( -1.197 -2.668 -3.231) 4.358 10.053 ( -2.948 -3.436 -1.570) 4.792 10.114 ( 2.065 0.963 7.047) 7.406 10.248 ( -0.739 -4.169 -1.868) 4.628 10.309 ( -0.366 -1.319 2.332) 2.704 10.687 ( 0.801 -8.250 0.522) 8.305 10.801 ( -0.227 -7.946 -0.500) 7.965 12.448 ( 3.104 1.416 -1.129) 3.593 12.490 ( 3.741 2.811 0.076) 4.680 12.601 ( -1.370 0.125 0.421) 1.439 12.681 ( -0.088 -0.476 -0.597) 0.768 13.852 ( -1.390 0.871 0.346) 1.677 13.966 ( -1.652 -1.879 2.075) 3.250 13.989 ( -0.186 -1.615 -4.505) 4.789 14.216 ( 0.275 -3.784 2.086) 4.330 14.741 ( 0.314 -1.180 -1.500) 1.934 14.824 ( -0.640 -2.234 2.303) 3.272 14.988 ( -2.190 2.466 1.304) 3.547 15.013 ( -3.493 2.522 -0.118) 4.311 15.293 ( 1.520 -0.371 -0.256) 1.585 15.401 ( -0.431 1.318 0.451) 1.458 15.563 ( -1.783 2.561 -0.748) 3.209 15.600 ( -3.069 2.292 1.308) 4.048 15.796 ( 2.343 -1.174 0.078) 2.622 15.894 ( 0.249 2.742 -0.099) 2.755 15.965 ( 2.299 1.072 0.429) 2.573 16.049 ( -1.878 1.552 -2.323) 3.366 16.523 ( 0.608 0.306 -0.245) 0.723 16.600 ( 1.471 -3.083 1.297) 3.653 16.731 ( 2.973 -1.317 2.490) 4.095 16.763 ( -1.059 -2.134 -3.224) 4.009 17.401 ( 0.482 -0.396 0.645) 0.897 17.463 ( -2.287 1.587 -0.779) 2.891 17.574 ( -2.465 -1.886 0.257) 3.114 17.602 ( -2.847 -0.835 0.231) 2.976 21.461 ( 1.518 1.855 -0.334) 2.420 21.512 ( 0.903 2.517 2.248) 3.494 21.688 ( -3.461 -0.690 -1.578) 3.866 21.729 ( -3.319 0.064 0.260) 3.330 27.292 ( -2.505 0.720 2.402) 3.544 27.307 ( -3.914 1.453 -1.607) 4.474 27.402 ( -6.464 3.165 3.603) 8.049 27.451 ( -8.560 2.261 -3.414) 9.489 28.744 ( 0.519 -0.959 0.189) 1.107 28.755 ( 1.125 -0.646 -0.095) 1.301 28.851 ( -2.558 2.905 1.240) 4.065 28.892 ( -2.754 2.014 -0.548) 3.455 29.818 ( 0.843 -0.182 0.700) 1.111 29.852 ( 0.883 -0.664 0.227) 1.128 30.112 ( -5.957 -0.300 0.465) 5.982 30.138 ( -5.623 -0.559 -0.713) 5.696 30.600 ( 7.371 2.911 -1.227) 8.019 30.741 ( 7.420 1.416 1.248) 7.656 31.154 ( 3.340 -1.227 0.953) 3.684 31.365 ( 0.432 -4.978 -1.583) 5.242 31.590 ( 3.814 1.544 -0.204) 4.120 31.637 ( 0.464 1.656 -4.448) 4.769 31.772 ( 1.560 3.113 -0.513) 3.520 32.073 ( 8.003 -5.242 11.997) 15.345 32.309 ( -0.648 5.004 -7.803) 9.293 32.556 ( 3.088 6.543 3.882) 8.211 32.990 ( 5.602 -3.796 -1.832) 7.010 33.171 ( 7.012 2.399 0.779) 7.452 33.369 ( -2.489 1.409 -5.501) 6.200 33.691 ( -5.262 1.843 1.567) 5.792 33.910 ( 1.728 -9.555 4.862) 10.860 34.220 ( 0.527 -5.353 -4.544) 7.041 ======================= Grid point 15 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 4.786 -1.858 -3.075) 5.984 1.708 ( 7.719 2.637 -3.042) 8.706 1.777 ( 6.871 1.818 5.948) 9.268 1.852 ( 1.155 1.793 -1.750) 2.759 2.023 ( 8.710 0.110 -0.955) 8.763 2.124 ( 8.738 -0.090 -1.640) 8.891 2.257 ( 2.036 -1.027 0.598) 2.357 2.363 ( 1.263 -3.259 -2.826) 4.494 2.420 ( 5.004 1.408 0.453) 5.218 2.492 ( -4.614 -8.826 1.196) 10.031 2.667 ( -4.053 1.736 4.750) 6.481 2.748 ( 2.096 6.533 -1.051) 6.941 2.807 ( 0.864 1.408 0.890) 1.876 2.856 ( -0.369 -3.876 4.107) 5.659 2.915 ( 1.520 6.784 0.297) 6.958 2.992 ( 1.753 2.512 -9.963) 10.424 3.086 ( 3.008 -1.743 -0.016) 3.476 3.152 ( 4.636 -0.931 -1.716) 5.030 3.263 ( -8.113 -1.374 3.356) 8.887 3.459 ( -1.684 -1.633 -0.076) 2.347 3.497 ( -6.620 3.401 4.615) 8.757 3.544 ( -2.211 1.927 0.790) 3.037 3.622 ( -5.480 -3.207 -3.434) 7.218 3.650 ( -0.296 -4.335 -0.687) 4.399 3.696 ( 0.171 0.025 -1.738) 1.746 3.857 ( -4.220 5.628 -4.419) 8.307 3.927 ( 1.674 5.411 -1.315) 5.814 4.069 ( 9.592 -2.397 1.677) 10.029 4.167 ( 5.615 3.634 1.773) 6.919 4.215 ( 3.622 2.807 -0.993) 4.689 4.313 ( 3.654 -2.816 0.885) 4.697 4.367 ( 1.001 1.837 -0.929) 2.289 4.465 ( -1.718 0.417 2.085) 2.734 4.524 ( 1.629 -0.191 1.488) 2.215 4.659 ( 3.158 1.305 -0.853) 3.522 4.699 ( 3.064 2.652 2.053) 4.542 4.902 ( 1.847 2.951 -0.204) 3.487 4.962 ( 3.825 1.175 1.131) 4.158 5.093 ( 0.254 2.081 -2.631) 3.364 5.223 ( 1.871 -9.662 -0.801) 9.874 5.351 ( 7.209 -0.472 1.250) 7.332 5.372 ( 7.336 -2.236 -1.252) 7.771 5.584 ( 1.947 0.801 1.752) 2.739 5.617 ( 1.736 -1.545 0.403) 2.359 5.678 ( -1.211 1.064 0.913) 1.852 5.940 ( -6.570 -1.969 3.842) 7.861 6.058 ( -2.503 2.918 -1.322) 4.065 6.419 ( -3.167 -4.115 -4.810) 7.078 6.677 ( 3.568 5.185 -0.342) 6.304 6.820 ( 3.133 -0.686 -0.536) 3.251 6.941 ( 1.183 0.623 2.085) 2.477 7.000 ( -0.175 4.820 -0.188) 4.827 7.263 ( -0.173 1.999 0.927) 2.211 7.415 ( 1.793 2.247 0.220) 2.883 7.553 ( -0.352 -0.210 0.896) 0.985 7.639 ( -4.057 1.132 1.415) 4.443 7.837 ( -0.448 -3.303 -0.491) 3.369 7.961 ( -2.485 0.173 -2.518) 3.542 8.146 ( -0.495 -0.292 0.617) 0.843 8.233 ( -1.854 5.008 -0.563) 5.370 9.453 ( 1.269 0.414 -0.188) 1.348 9.554 ( 1.816 3.538 -0.968) 4.093 9.793 ( -1.489 0.999 3.321) 3.774 9.805 ( -0.210 -2.467 -3.275) 4.106 9.930 ( -0.981 -1.503 -0.514) 1.867 9.941 ( 0.134 1.115 -2.362) 2.616 9.965 ( -3.394 -2.060 -2.230) 4.554 10.205 ( -0.141 -0.843 0.274) 0.898 10.228 ( 1.124 -3.344 4.264) 5.534 10.332 ( 0.573 -1.732 1.697) 2.492 10.706 ( 0.578 -8.278 0.552) 8.317 10.798 ( 0.088 -7.822 0.018) 7.823 12.489 ( 2.066 0.517 -0.894) 2.310 12.554 ( 3.045 2.389 -0.276) 3.881 12.586 ( -0.961 0.843 1.468) 1.947 12.662 ( -1.049 0.273 -1.069) 1.522 13.840 ( -0.336 0.464 0.268) 0.632 13.954 ( -1.026 -0.596 1.173) 1.669 13.962 ( 0.243 -2.297 -2.646) 3.513 14.241 ( 0.559 -4.638 1.761) 4.993 14.754 ( 2.128 -0.298 -1.073) 2.402 14.832 ( -0.119 0.271 1.374) 1.405 14.940 ( -3.748 0.307 0.640) 3.815 14.963 ( -1.477 1.883 -0.401) 2.426 15.322 ( 1.307 0.300 -0.271) 1.369 15.383 ( -0.998 -0.847 -0.721) 1.494 15.528 ( -0.449 4.077 -1.071) 4.239 15.566 ( -2.407 2.305 1.853) 3.813 15.832 ( 1.459 -0.487 -0.271) 1.561 15.899 ( 0.150 0.430 0.726) 0.857 16.004 ( 1.292 0.714 0.215) 1.492 16.018 ( -0.223 1.380 -0.981) 1.707 16.552 ( 2.209 0.662 1.023) 2.523 16.614 ( -0.046 -1.494 0.178) 1.505 16.704 ( -2.445 -1.705 -3.022) 4.245 16.799 ( 1.965 -1.939 2.080) 3.456 17.407 ( -0.420 0.220 -0.088) 0.482 17.426 ( -0.852 0.757 -0.345) 1.191 17.540 ( -1.447 -1.557 0.389) 2.161 17.560 ( -1.787 -1.069 0.253) 2.098 21.495 ( 2.342 0.798 -0.306) 2.493 21.547 ( 1.447 2.337 1.098) 2.960 21.621 ( -2.645 -1.009 -0.978) 2.995 21.668 ( -3.314 0.450 0.145) 3.348 27.210 ( -3.186 2.072 -2.082) 4.333 27.267 ( -2.194 0.209 -1.261) 2.539 27.304 ( -3.890 2.187 0.277) 4.471 27.364 ( -2.451 0.812 3.007) 3.964 28.757 ( 0.677 -0.274 0.183) 0.753 28.774 ( 0.995 -0.448 -0.357) 1.148 28.819 ( -1.759 2.078 0.878) 2.861 28.844 ( -1.857 1.556 -0.547) 2.484 29.845 ( 1.544 -0.495 0.269) 1.643 29.882 ( 2.322 -0.975 -0.247) 2.530 30.017 ( -4.790 -0.712 0.639) 4.884 30.036 ( -4.444 -0.839 -0.711) 4.578 30.724 ( 6.213 2.451 -0.287) 6.686 30.866 ( 4.730 1.296 0.747) 4.960 31.166 ( -1.928 -0.439 0.283) 1.997 31.364 ( 0.327 -2.720 -0.338) 2.761 31.627 ( 2.304 0.686 -3.005) 3.848 31.657 ( 2.468 -1.234 0.941) 2.915 31.824 ( 3.420 4.435 1.491) 5.795 32.100 ( -6.461 -1.141 -2.221) 6.927 32.346 ( 4.836 1.074 1.835) 5.283 32.626 ( 1.705 9.429 2.810) 9.986 33.064 ( 3.442 -3.445 -0.730) 4.924 33.297 ( -0.546 0.503 -4.683) 4.741 33.310 ( 5.979 5.817 2.585) 8.733 33.596 ( -5.138 0.519 -0.778) 5.223 33.973 ( 1.452 -12.009 2.703) 12.394 34.207 ( 0.494 -5.045 -1.602) 5.316 ======================= Grid point 16 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 -2.126 0.000) 2.126 1.779 ( 0.000 -0.183 0.000) 0.183 1.822 ( 0.000 1.169 0.000) 1.169 1.889 ( 0.000 4.437 -0.000) 4.437 2.098 ( 0.000 2.023 0.000) 2.023 2.222 ( 0.000 3.210 0.000) 3.210 2.318 ( -0.000 -0.305 0.000) 0.305 2.337 ( 0.000 -10.341 -0.000) 10.341 2.404 ( 0.000 -7.529 0.000) 7.529 2.527 ( 0.000 -2.178 0.000) 2.178 2.643 ( 0.000 3.068 -0.000) 3.068 2.764 ( -0.000 6.816 -0.000) 6.816 2.776 ( 0.000 -0.687 0.000) 0.687 2.846 ( 0.000 1.908 0.000) 1.908 2.931 ( 0.000 12.029 0.000) 12.029 3.040 ( -0.000 8.595 -0.000) 8.595 3.095 ( 0.000 -5.711 0.000) 5.711 3.209 ( 0.000 -4.070 0.000) 4.070 3.224 ( -0.000 -3.636 0.000) 3.636 3.338 ( 0.000 1.089 0.000) 1.089 3.460 ( -0.000 -2.951 -0.000) 2.951 3.493 ( 0.000 -1.737 0.000) 1.737 3.587 ( 0.000 -0.263 0.000) 0.263 3.651 ( 0.000 -5.589 0.000) 5.589 3.693 ( 0.000 1.057 0.000) 1.057 3.775 ( 0.000 8.518 0.000) 8.518 3.951 ( 0.000 4.491 0.000) 4.491 4.190 ( 0.000 3.871 0.000) 3.871 4.194 ( -0.000 -1.760 0.000) 1.760 4.253 ( 0.000 -1.426 -0.000) 1.426 4.306 ( 0.000 1.155 0.000) 1.155 4.447 ( -0.000 -1.831 0.000) 1.831 4.450 ( 0.000 0.071 0.000) 0.071 4.518 ( 0.000 1.561 0.000) 1.561 4.704 ( -0.000 0.375 0.000) 0.375 4.736 ( 0.000 3.019 0.000) 3.019 4.919 ( 0.000 4.392 0.000) 4.392 5.019 ( 0.000 -5.744 0.000) 5.744 5.052 ( -0.000 9.879 -0.000) 9.879 5.240 ( 0.000 -11.103 0.000) 11.103 5.436 ( 0.000 -3.786 0.000) 3.786 5.537 ( 0.000 0.074 0.000) 0.074 5.565 ( -0.000 -2.426 -0.000) 2.426 5.631 ( 0.000 1.033 0.000) 1.033 5.711 ( 0.000 0.493 0.000) 0.493 5.837 ( -0.000 1.830 0.000) 1.830 6.016 ( 0.000 1.636 -0.000) 1.636 6.360 ( 0.000 -2.283 0.000) 2.283 6.711 ( 0.000 5.646 0.000) 5.646 6.849 ( 0.000 -0.029 -0.000) 0.029 6.969 ( 0.000 0.484 0.000) 0.484 6.994 ( -0.000 2.872 -0.000) 2.872 7.261 ( 0.000 3.829 -0.000) 3.829 7.435 ( 0.000 2.095 0.000) 2.095 7.544 ( 0.000 -1.872 0.000) 1.872 7.618 ( 0.000 0.682 0.000) 0.682 7.834 ( 0.000 -2.982 0.000) 2.982 7.917 ( 0.000 1.177 0.000) 1.177 8.148 ( 0.000 -1.048 0.000) 1.048 8.211 ( 0.000 5.905 0.000) 5.905 9.466 ( 0.000 0.364 0.000) 0.364 9.578 ( 0.000 2.922 0.000) 2.922 9.745 ( 0.000 0.604 0.000) 0.604 9.858 ( 0.000 -1.673 0.000) 1.673 9.865 ( 0.000 -2.328 0.000) 2.328 9.925 ( 0.000 -2.861 0.000) 2.861 9.951 ( 0.000 2.270 0.000) 2.270 10.193 ( 0.000 -3.957 0.000) 3.957 10.266 ( 0.000 -0.389 0.000) 0.389 10.346 ( 0.000 -1.751 0.000) 1.751 10.713 ( 0.000 -8.565 0.000) 8.565 10.801 ( 0.000 -7.583 0.000) 7.583 12.505 ( 0.000 0.213 0.000) 0.213 12.581 ( -0.000 0.423 0.000) 0.423 12.591 ( 0.000 2.600 0.000) 2.600 12.640 ( 0.000 0.835 0.000) 0.835 13.838 ( 0.000 0.230 0.000) 0.230 13.949 ( 0.000 0.124 -0.000) 0.124 13.954 ( 0.000 -2.684 0.000) 2.684 14.254 ( 0.000 -5.021 0.000) 5.021 14.780 ( 0.000 1.137 0.000) 1.137 14.839 ( 0.000 1.527 0.000) 1.527 14.894 ( 0.000 -0.630 0.000) 0.630 14.948 ( 0.000 0.450 0.000) 0.450 15.328 ( 0.000 1.168 0.000) 1.168 15.374 ( 0.000 -1.874 0.000) 1.874 15.526 ( 0.000 4.191 0.000) 4.191 15.545 ( 0.000 2.500 0.000) 2.500 15.844 ( 0.000 0.541 0.000) 0.541 15.905 ( 0.000 -0.913 0.000) 0.913 16.007 ( 0.000 0.811 0.000) 0.811 16.023 ( 0.000 0.795 0.000) 0.795 16.596 ( 0.000 0.516 0.000) 0.516 16.615 ( 0.000 -0.155 0.000) 0.155 16.648 ( -0.000 -2.072 0.000) 2.072 16.826 ( 0.000 -2.150 0.000) 2.150 17.396 ( 0.000 0.736 0.000) 0.736 17.422 ( 0.000 0.285 0.000) 0.285 17.528 ( 0.000 -1.439 0.000) 1.439 17.544 ( 0.000 -1.180 0.000) 1.180 21.525 ( 0.000 0.036 0.000) 0.036 21.575 ( 0.000 2.198 0.000) 2.198 21.586 ( 0.000 -0.984 -0.000) 0.984 21.626 ( 0.000 0.899 0.000) 0.899 27.172 ( 0.000 1.760 0.000) 1.760 27.226 ( 0.000 0.500 0.000) 0.500 27.283 ( 0.000 1.802 0.000) 1.802 27.354 ( 0.000 0.544 0.000) 0.544 28.767 ( 0.000 0.088 0.000) 0.088 28.783 ( 0.000 -0.258 0.000) 0.258 28.804 ( -0.000 1.627 0.000) 1.627 28.823 ( 0.000 1.352 0.000) 1.352 29.866 ( 0.000 -0.578 0.000) 0.578 29.919 ( 0.000 -1.301 0.000) 1.301 29.959 ( -0.000 -0.610 0.000) 0.610 29.985 ( 0.000 -0.973 0.000) 0.973 30.790 ( 0.000 2.107 0.000) 2.107 30.913 ( 0.000 1.258 0.000) 1.258 31.137 ( 0.000 0.432 0.000) 0.432 31.367 ( 0.000 -2.273 0.000) 2.273 31.642 ( 0.000 0.093 0.000) 0.093 31.687 ( 0.000 -2.311 0.000) 2.311 31.904 ( 0.000 6.181 0.000) 6.181 31.976 ( 0.000 -0.558 0.000) 0.558 32.400 ( 0.000 -0.086 0.000) 0.086 32.654 ( 0.000 10.172 0.000) 10.172 33.096 ( 0.000 -4.234 0.000) 4.234 33.270 ( 0.000 1.919 0.000) 1.919 33.404 ( 0.000 8.660 0.000) 8.660 33.521 ( 0.000 -2.965 0.000) 2.965 33.997 ( 0.000 -12.658 0.000) 12.658 34.207 ( 0.000 -4.840 0.000) 4.840 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.000 23.380 0.000) 23.380 1.040 ( 0.000 23.126 0.000) 23.126 1.493 ( 0.000 3.478 0.000) 3.478 1.629 ( 0.000 -1.376 0.000) 1.376 1.831 ( 0.000 -1.418 0.000) 1.418 1.860 ( 0.000 11.069 0.000) 11.069 1.901 ( 0.000 0.082 0.000) 0.082 2.001 ( 0.000 -6.590 0.000) 6.590 2.089 ( 0.000 5.405 0.000) 5.405 2.167 ( 0.000 6.524 0.000) 6.524 2.288 ( 0.000 7.489 0.000) 7.489 2.346 ( 0.000 -1.714 0.000) 1.714 2.502 ( 0.000 -1.410 0.000) 1.410 2.537 ( 0.000 -0.571 0.000) 0.571 2.753 ( 0.000 -1.112 0.000) 1.112 2.756 ( 0.000 10.151 0.000) 10.151 2.836 ( 0.000 -10.201 0.000) 10.201 2.987 ( 0.000 -5.554 0.000) 5.554 3.056 ( 0.000 2.262 0.000) 2.262 3.276 ( 0.000 -8.340 0.000) 8.340 3.362 ( 0.000 -8.800 0.000) 8.800 3.420 ( 0.000 -4.780 0.000) 4.780 3.544 ( 0.000 6.220 0.000) 6.220 3.662 ( 0.000 6.538 0.000) 6.538 3.838 ( 0.000 1.880 0.000) 1.880 3.888 ( 0.000 2.245 0.000) 2.245 3.913 ( 0.000 -6.255 0.000) 6.255 4.020 ( 0.000 -6.339 0.000) 6.339 4.028 ( 0.000 3.875 0.000) 3.875 4.169 ( 0.000 2.180 0.000) 2.180 4.192 ( 0.000 5.834 0.000) 5.834 4.271 ( 0.000 1.447 0.000) 1.447 4.425 ( 0.000 -0.154 0.000) 0.154 4.447 ( 0.000 -0.559 0.000) 0.559 4.499 ( 0.000 -6.449 0.000) 6.449 4.646 ( 0.000 -1.875 0.000) 1.875 4.867 ( 0.000 2.548 0.000) 2.548 4.936 ( 0.000 -0.914 0.000) 0.914 4.949 ( 0.000 5.682 0.000) 5.682 5.237 ( 0.000 -4.742 0.000) 4.742 5.310 ( 0.000 4.615 0.000) 4.615 5.345 ( 0.000 -1.980 0.000) 1.980 5.512 ( 0.000 4.336 0.000) 4.336 5.592 ( 0.000 0.221 0.000) 0.221 5.686 ( 0.000 -2.399 0.000) 2.399 5.830 ( 0.000 -3.575 0.000) 3.575 6.205 ( 0.000 6.509 0.000) 6.509 6.363 ( 0.000 0.652 0.000) 0.652 6.698 ( 0.000 -3.069 0.000) 3.069 6.760 ( 0.000 -2.806 0.000) 2.806 6.853 ( 0.000 4.324 0.000) 4.324 7.006 ( 0.000 -0.483 0.000) 0.483 7.121 ( 0.000 6.929 0.000) 6.929 7.209 ( 0.000 1.981 0.000) 1.981 7.789 ( 0.000 -0.008 0.000) 0.008 7.832 ( 0.000 -4.778 0.000) 4.778 7.993 ( 0.000 -1.543 0.000) 1.543 8.112 ( 0.000 -1.265 0.000) 1.265 8.166 ( 0.000 1.285 0.000) 1.285 8.270 ( 0.000 -3.437 0.000) 3.437 9.520 ( 0.000 -1.881 0.000) 1.881 9.546 ( 0.000 9.526 0.000) 9.526 9.609 ( 0.000 -3.300 0.000) 3.300 9.852 ( 0.000 5.152 0.000) 5.152 9.889 ( 0.000 -0.896 0.000) 0.896 9.953 ( 0.000 6.543 0.000) 6.543 10.045 ( 0.000 -4.120 0.000) 4.120 10.166 ( 0.000 0.691 0.000) 0.691 10.205 ( 0.000 -6.434 0.000) 6.434 10.420 ( 0.000 3.390 0.000) 3.390 10.490 ( 0.000 -11.131 0.000) 11.131 10.645 ( 0.000 -9.508 0.000) 9.508 12.411 ( 0.000 5.174 0.000) 5.174 12.418 ( 0.000 5.725 0.000) 5.725 12.589 ( 0.000 -2.773 0.000) 2.773 12.626 ( 0.000 -3.425 0.000) 3.425 13.929 ( 0.000 0.482 0.000) 0.482 14.060 ( 0.000 -4.160 0.000) 4.160 14.071 ( 0.000 2.802 0.000) 2.802 14.216 ( 0.000 -4.952 0.000) 4.952 14.634 ( 0.000 -0.713 0.000) 0.713 14.791 ( 0.000 -8.109 0.000) 8.109 15.069 ( 0.000 2.471 0.000) 2.471 15.140 ( 0.000 -1.904 0.000) 1.904 15.472 ( 0.000 2.861 0.000) 2.861 15.518 ( 0.000 0.819 0.000) 0.819 15.661 ( 0.000 3.949 0.000) 3.949 15.752 ( 0.000 3.756 0.000) 3.756 15.805 ( 0.000 -0.906 0.000) 0.906 15.913 ( 0.000 -1.530 0.000) 1.530 16.070 ( 0.000 -0.162 0.000) 0.162 16.089 ( 0.000 -3.648 0.000) 3.648 16.430 ( 0.000 0.247 0.000) 0.247 16.499 ( 0.000 -3.046 0.000) 3.046 16.607 ( 0.000 -0.321 0.000) 0.321 16.643 ( 0.000 -1.442 0.000) 1.442 17.449 ( 0.000 3.830 0.000) 3.830 17.615 ( 0.000 -3.672 0.000) 3.672 17.644 ( 0.000 2.439 0.000) 2.439 17.707 ( 0.000 -0.687 0.000) 0.687 21.473 ( 0.000 2.821 0.000) 2.821 21.487 ( 0.000 1.219 0.000) 1.219 21.886 ( 0.000 2.149 0.000) 2.149 21.906 ( 0.000 1.562 0.000) 1.562 27.349 ( 0.000 0.462 0.000) 0.462 27.354 ( 0.000 0.309 0.000) 0.309 28.001 ( 0.000 5.671 0.000) 5.671 28.181 ( 0.000 -3.138 0.000) 3.138 28.690 ( 0.000 -0.621 0.000) 0.621 28.696 ( 0.000 -1.347 0.000) 1.347 29.034 ( 0.000 5.980 0.000) 5.980 29.241 ( 0.000 -4.317 0.000) 4.317 29.835 ( 0.000 2.731 0.000) 2.731 29.946 ( 0.000 -2.660 0.000) 2.660 30.343 ( 0.000 3.181 0.000) 3.181 30.403 ( 0.000 0.778 0.000) 0.778 30.462 ( 0.000 1.231 0.000) 1.231 30.465 ( 0.000 0.895 0.000) 0.895 30.799 ( 0.000 1.183 0.000) 1.183 30.966 ( 0.000 -6.573 0.000) 6.573 31.496 ( 0.000 0.865 0.000) 0.865 31.538 ( 0.000 -1.235 0.000) 1.235 31.854 ( 0.000 1.412 0.000) 1.412 31.924 ( 0.000 -1.896 0.000) 1.896 32.078 ( 0.000 1.953 0.000) 1.953 32.180 ( 0.000 -2.802 0.000) 2.802 32.454 ( 0.000 1.986 0.000) 1.986 32.629 ( 0.000 -7.692 0.000) 7.692 33.687 ( 0.000 7.554 0.000) 7.554 33.861 ( 0.000 -2.252 0.000) 2.252 34.022 ( 0.000 5.949 0.000) 5.949 34.260 ( 0.000 -5.300 0.000) 5.300 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 6.754 19.467 6.522) 21.613 1.131 ( 9.837 16.635 7.185) 20.619 1.569 ( 4.320 -3.400 -0.963) 5.581 1.611 ( 3.630 -0.032 -5.224) 6.361 1.850 ( -0.886 2.476 0.633) 2.704 1.895 ( 1.845 -4.052 0.002) 4.453 1.968 ( 9.319 6.502 4.881) 12.367 2.069 ( 6.195 -3.116 4.140) 8.076 2.137 ( 3.050 7.700 -6.494) 10.524 2.296 ( 13.931 5.786 3.306) 15.443 2.388 ( 5.712 3.335 4.605) 8.059 2.420 ( 7.452 -0.559 -0.194) 7.475 2.517 ( 4.899 1.767 -1.475) 5.413 2.640 ( 4.924 -2.062 4.033) 6.690 2.741 ( -1.560 -0.297 -0.902) 1.826 2.757 ( 2.744 3.799 -2.840) 5.480 2.880 ( 5.289 -5.744 0.693) 7.839 2.904 ( -1.977 -1.892 -1.067) 2.937 3.149 ( 6.855 -2.170 -1.172) 7.285 3.247 ( -1.766 -5.017 1.619) 5.560 3.392 ( 4.146 -9.748 -1.589) 10.712 3.480 ( 7.338 -4.400 -5.943) 10.417 3.565 ( 5.942 8.035 -7.295) 12.372 3.671 ( -1.291 4.058 1.876) 4.653 3.834 ( -0.726 0.658 2.833) 2.997 3.883 ( -3.082 0.368 2.013) 3.700 3.925 ( 3.429 4.573 1.398) 5.885 4.011 ( -0.203 1.054 -2.200) 2.448 4.085 ( 2.530 -3.776 4.202) 6.190 4.161 ( -2.764 1.542 2.046) 3.768 4.204 ( 3.562 5.276 -3.323) 7.181 4.307 ( 2.819 1.185 1.302) 3.323 4.373 ( -3.454 -1.245 -1.043) 3.817 4.435 ( -2.272 -0.414 -0.324) 2.332 4.547 ( 3.348 -4.574 3.197) 6.508 4.650 ( 1.020 -1.630 -4.010) 4.447 4.857 ( -1.315 -0.407 -0.756) 1.570 4.948 ( 1.581 -3.745 -1.287) 4.264 4.959 ( 1.102 8.536 2.130) 8.867 5.235 ( -0.724 -4.686 0.938) 4.833 5.314 ( -2.334 -0.798 -0.687) 2.560 5.350 ( 2.052 -0.421 2.032) 2.918 5.466 ( -4.382 5.276 -1.370) 6.994 5.632 ( -1.564 0.500 1.825) 2.455 5.646 ( 1.807 1.769 -2.735) 3.725 5.829 ( -1.140 -6.775 4.316) 8.114 6.217 ( 0.617 5.833 0.589) 5.895 6.349 ( -0.226 -0.640 -1.392) 1.548 6.653 ( -3.731 -1.072 0.806) 3.965 6.720 ( -1.286 -1.899 -0.100) 2.296 6.970 ( 6.687 1.031 1.254) 6.882 7.028 ( 1.864 0.925 2.128) 2.977 7.147 ( 3.201 5.806 -5.755) 8.779 7.197 ( 0.472 3.165 1.270) 3.443 7.701 ( -5.818 0.586 0.716) 5.891 7.843 ( -0.493 -7.144 -2.952) 7.745 7.992 ( -1.507 -1.872 -0.600) 2.477 8.051 ( -0.365 2.076 -3.752) 4.304 8.221 ( 0.370 -1.967 2.053) 2.867 8.272 ( 0.807 -2.159 0.867) 2.463 9.542 ( -0.715 7.941 0.362) 7.981 9.592 ( 4.623 1.784 2.601) 5.596 9.644 ( 3.521 -4.032 1.303) 5.509 9.834 ( -0.838 3.484 0.338) 3.599 9.888 ( -3.847 2.394 5.359) 7.018 9.939 ( 1.283 -0.289 -2.699) 3.002 10.065 ( 0.936 -1.144 -0.132) 1.484 10.144 ( -1.691 -0.587 -0.340) 1.822 10.200 ( 0.531 -3.204 -2.496) 4.096 10.391 ( -2.919 1.130 1.098) 3.317 10.487 ( 0.003 -9.960 -1.895) 10.139 10.635 ( -0.517 -10.135 -0.837) 10.182 12.425 ( 1.247 4.395 0.162) 4.571 12.441 ( 2.359 5.402 -0.018) 5.894 12.598 ( 0.394 -2.892 0.299) 2.934 12.628 ( 0.484 -2.850 -0.109) 2.893 13.921 ( -0.963 0.539 0.261) 1.134 14.028 ( -3.262 -1.338 0.562) 3.571 14.055 ( -0.931 0.222 -2.156) 2.358 14.181 ( -3.162 -4.488 0.207) 5.494 14.653 ( 1.022 -1.362 2.123) 2.721 14.777 ( -0.362 -6.879 -2.464) 7.316 15.055 ( -1.344 2.284 0.433) 2.685 15.137 ( -0.424 -2.043 -0.050) 2.087 15.463 ( -1.061 3.126 0.592) 3.354 15.495 ( -2.868 2.804 0.060) 4.011 15.669 ( 0.925 3.284 -0.619) 3.468 15.698 ( -5.286 4.894 -0.636) 7.232 15.790 ( -0.720 -0.512 -0.260) 0.921 15.910 ( -0.090 -2.515 -1.529) 2.945 16.003 ( -2.151 4.649 0.852) 5.193 16.129 ( 0.919 -3.274 0.605) 3.454 16.432 ( 1.141 0.845 -0.775) 1.618 16.512 ( 0.853 -2.484 -0.248) 2.638 16.610 ( 0.830 -0.474 0.414) 1.042 16.678 ( 3.135 -4.241 -1.619) 5.516 17.428 ( -1.450 3.758 -0.483) 4.057 17.600 ( -1.499 -3.918 -0.324) 4.207 17.617 ( -2.296 2.652 -0.601) 3.559 17.687 ( -1.990 -0.874 -0.235) 2.186 21.485 ( 0.328 2.398 1.074) 2.647 21.495 ( 0.320 1.535 1.929) 2.485 21.856 ( -3.244 1.618 0.333) 3.641 21.867 ( -3.480 1.421 -0.740) 3.831 27.343 ( -1.468 0.605 2.141) 2.665 27.355 ( -1.268 0.012 2.891) 3.157 27.916 ( -7.883 4.915 -2.087) 9.522 28.022 ( -13.429 1.334 -3.910) 14.051 28.697 ( 0.681 -0.575 0.096) 0.897 28.703 ( 0.626 -1.194 0.132) 1.354 29.010 ( -2.550 4.969 0.554) 5.612 29.137 ( -7.915 -0.160 -0.585) 7.938 29.828 ( -1.573 1.738 2.076) 3.131 29.887 ( -4.437 -0.644 1.329) 4.676 30.317 ( -2.835 1.927 -0.077) 3.429 30.345 ( -5.241 0.623 0.051) 5.278 30.482 ( 3.148 2.598 -0.685) 4.139 30.515 ( 4.614 1.282 -0.290) 4.798 30.892 ( 7.932 0.187 -0.721) 7.967 31.058 ( 7.631 -7.799 1.140) 10.971 31.540 ( 3.715 1.411 2.787) 4.854 31.570 ( 3.496 0.301 0.356) 3.527 31.704 ( -1.670 5.711 -5.147) 7.867 31.894 ( -2.208 -3.362 -9.033) 9.888 32.286 ( 9.233 0.096 4.438) 10.244 32.406 ( 10.878 -4.120 11.117) 16.090 32.506 ( 12.046 -2.023 -2.677) 12.504 32.669 ( 5.389 -7.703 -2.591) 9.752 33.646 ( -4.424 7.168 0.576) 8.443 33.823 ( -4.077 -2.451 0.573) 4.791 33.977 ( -4.528 6.034 0.120) 7.545 34.219 ( -2.647 -5.612 -3.075) 6.925 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 8.933 11.188 9.094) 16.961 1.422 ( 14.430 8.241 4.123) 17.122 1.580 ( 4.043 0.759 -7.438) 8.500 1.733 ( 5.599 -5.679 3.430) 8.681 1.804 ( 0.537 8.382 -7.714) 11.404 1.969 ( 5.135 -1.914 0.320) 5.489 2.080 ( -1.535 1.992 -3.110) 4.000 2.179 ( 5.893 -3.727 7.961) 10.583 2.237 ( 5.527 -4.434 4.581) 8.438 2.446 ( 1.602 0.039 0.141) 1.608 2.545 ( 5.186 -5.175 -2.367) 7.699 2.623 ( 10.196 -2.142 1.912) 10.592 2.674 ( -1.245 0.852 4.898) 5.125 2.716 ( 11.133 3.543 2.760) 12.005 2.771 ( 10.025 0.627 -1.821) 10.209 2.821 ( 3.457 3.326 0.781) 4.861 2.999 ( 10.272 1.035 -1.107) 10.384 3.026 ( 10.489 3.609 1.028) 11.140 3.196 ( 0.906 -8.355 -0.123) 8.405 3.343 ( 11.548 0.967 -3.831) 12.205 3.473 ( 3.848 -1.347 -4.195) 5.850 3.559 ( 5.353 1.435 -4.827) 7.349 3.611 ( 1.733 2.601 -3.521) 4.708 3.672 ( 3.267 -3.972 -2.237) 5.609 3.842 ( -3.183 5.532 2.996) 7.051 3.882 ( 2.526 2.113 2.494) 4.130 3.962 ( 4.062 5.501 -4.126) 7.986 4.038 ( -0.670 2.348 3.836) 4.548 4.094 ( 0.935 5.668 -0.955) 5.824 4.184 ( 0.234 -2.245 3.365) 4.052 4.217 ( 0.844 2.926 -2.421) 3.891 4.304 ( -2.682 2.248 2.153) 4.109 4.353 ( 3.186 -7.652 -2.349) 8.615 4.457 ( 2.927 6.425 3.777) 8.007 4.609 ( 1.801 -6.039 -8.098) 10.261 4.635 ( 1.952 1.673 4.658) 5.320 4.807 ( -3.108 0.603 0.058) 3.166 4.957 ( -2.131 -0.360 4.466) 4.961 5.028 ( 5.316 1.126 -1.536) 5.647 5.212 ( -3.381 -2.453 -1.409) 4.408 5.225 ( -5.257 -2.319 -3.308) 6.630 5.353 ( -0.780 -4.450 -1.933) 4.914 5.408 ( -0.634 2.358 2.480) 3.481 5.585 ( -2.384 0.717 2.573) 3.580 5.715 ( 3.880 2.153 -1.117) 4.576 5.858 ( -0.277 -5.372 6.408) 8.367 6.214 ( -1.359 4.819 0.218) 5.012 6.357 ( 2.353 -4.556 -2.688) 5.789 6.628 ( 0.881 2.111 1.086) 2.533 6.715 ( 1.166 -0.420 -0.156) 1.249 7.011 ( 0.521 4.954 -3.115) 5.875 7.120 ( 0.889 1.611 -1.781) 2.560 7.149 ( 3.918 2.228 4.934) 6.683 7.275 ( 5.183 2.895 0.195) 5.940 7.618 ( -4.784 -1.139 2.877) 5.697 7.776 ( -3.562 -8.570 -3.273) 9.841 7.922 ( -3.335 1.750 -2.331) 4.429 8.047 ( 1.189 1.763 -3.193) 3.837 8.202 ( -1.919 -1.860 -0.095) 2.674 8.301 ( 0.492 -1.944 1.161) 2.317 9.517 ( -1.427 7.454 -0.144) 7.591 9.663 ( 1.693 4.644 -3.125) 5.848 9.737 ( 4.407 -2.326 2.550) 5.598 9.816 ( -2.325 3.543 0.596) 4.279 9.900 ( 0.554 -3.521 8.200) 8.942 9.937 ( -0.254 -3.686 -1.405) 3.953 10.060 ( -0.880 2.060 -0.249) 2.254 10.114 ( -0.707 0.764 -1.320) 1.681 10.192 ( -0.097 -2.379 -0.829) 2.521 10.343 ( -2.749 1.603 0.215) 3.190 10.469 ( -0.027 -11.576 -1.097) 11.628 10.618 ( -0.596 -10.927 -0.738) 10.968 12.455 ( 2.017 3.449 -0.318) 4.008 12.494 ( 3.042 4.197 0.119) 5.185 12.599 ( -0.168 -2.060 -0.070) 2.068 12.646 ( 1.184 -2.169 0.063) 2.472 13.899 ( -1.590 0.792 0.413) 1.823 13.966 ( -3.294 -0.856 0.277) 3.415 14.014 ( -1.235 0.003 -2.453) 2.746 14.133 ( -2.095 -4.640 0.944) 5.178 14.697 ( 1.570 -1.945 2.201) 3.331 14.750 ( 0.265 -4.259 -3.251) 5.364 15.035 ( -1.488 1.717 1.079) 2.515 15.117 ( -1.832 -1.529 -0.200) 2.395 15.408 ( -4.460 7.987 -0.919) 9.195 15.453 ( -1.072 2.525 0.553) 2.798 15.628 ( -2.474 2.562 2.162) 4.167 15.671 ( -0.486 1.736 -1.809) 2.554 15.771 ( -0.397 -0.020 -0.145) 0.423 15.896 ( -0.172 -3.380 -0.591) 3.435 16.006 ( 0.603 5.549 0.638) 5.618 16.121 ( -1.715 -0.677 -0.316) 1.871 16.475 ( 3.743 -0.571 -0.765) 3.863 16.525 ( 0.949 -0.160 0.367) 1.030 16.643 ( 1.845 -1.283 1.357) 2.625 16.709 ( 1.839 -5.002 -2.727) 5.987 17.407 ( -0.567 2.562 0.301) 2.642 17.553 ( -1.991 -1.205 -3.132) 3.902 17.570 ( -3.424 -0.240 2.510) 4.252 17.637 ( -3.085 -1.218 -0.065) 3.317 21.496 ( 0.234 2.549 0.771) 2.673 21.524 ( 0.669 1.513 2.485) 2.985 21.777 ( -4.951 0.914 -0.444) 5.054 21.792 ( -3.737 0.280 -0.578) 3.792 27.329 ( -2.263 0.769 3.147) 3.952 27.348 ( -2.156 -0.217 3.333) 3.976 27.705 ( -12.323 4.304 -2.822) 13.354 27.729 ( -13.122 3.551 -3.662) 14.079 28.714 ( 0.957 -0.520 0.157) 1.101 28.720 ( 1.159 -0.751 0.005) 1.381 28.960 ( -3.242 3.390 0.745) 4.749 29.010 ( -5.376 1.570 -0.207) 5.604 29.815 ( -1.121 0.647 1.567) 2.032 29.841 ( -1.651 -0.499 1.051) 2.020 30.231 ( -6.543 0.470 0.034) 6.560 30.239 ( -5.816 0.093 0.024) 5.817 30.560 ( 6.076 3.909 -1.483) 7.376 30.626 ( 7.136 1.189 0.251) 7.239 31.030 ( 7.006 0.005 -0.052) 7.006 31.188 ( 5.367 -7.842 -0.414) 9.512 31.603 ( 2.917 4.211 -1.906) 5.466 31.690 ( 1.826 1.109 -2.149) 3.030 31.742 ( 9.329 -0.378 7.841) 12.192 31.800 ( -0.981 -1.278 -4.211) 4.509 32.448 ( 5.152 5.933 -3.366) 8.548 32.538 ( 7.084 5.158 4.199) 9.717 32.766 ( 8.160 -6.690 -3.017) 10.975 32.859 ( 16.557 -11.705 1.694) 20.347 33.550 ( -5.876 6.254 0.413) 8.592 33.743 ( -5.308 -3.840 2.734) 7.099 33.880 ( -5.402 5.009 -0.500) 7.384 34.138 ( -2.834 -7.022 -3.457) 8.324 ======================= Grid point 25 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 9.502 3.639 6.736) 12.202 1.592 ( 4.100 5.147 -5.781) 8.759 1.683 ( 10.833 3.150 -1.573) 11.391 1.819 ( 2.268 -5.716 1.669) 6.372 1.842 ( 10.259 7.530 -3.879) 13.304 2.029 ( 4.692 2.046 -3.873) 6.419 2.137 ( 4.784 -2.202 3.794) 6.491 2.281 ( 0.703 -3.131 2.330) 3.966 2.326 ( 3.531 -7.813 -0.090) 8.574 2.446 ( -1.396 -3.889 0.651) 4.182 2.639 ( 4.339 -4.980 3.391) 7.425 2.706 ( -0.257 0.881 7.051) 7.110 2.764 ( 3.687 -3.072 -2.829) 5.571 2.795 ( 3.570 4.460 0.637) 5.748 2.894 ( 5.720 -2.427 0.248) 6.218 2.943 ( 4.854 4.290 1.726) 6.704 3.091 ( 2.181 2.164 -4.117) 5.136 3.225 ( 4.419 1.843 -4.812) 6.788 3.303 ( 5.715 -1.012 1.477) 5.989 3.438 ( -3.508 0.357 -1.690) 3.910 3.489 ( 6.656 3.028 -2.070) 7.600 3.587 ( -1.620 -0.619 1.790) 2.493 3.601 ( 1.881 -3.423 -3.116) 4.997 3.690 ( 0.424 0.355 -3.287) 3.333 3.806 ( -2.761 3.008 0.483) 4.111 3.887 ( -1.432 0.652 -0.785) 1.759 4.046 ( 2.224 3.242 0.656) 3.986 4.079 ( 5.773 5.165 -0.133) 7.748 4.139 ( 4.717 3.705 -2.651) 6.557 4.208 ( 1.134 10.012 0.286) 10.080 4.239 ( 2.604 4.436 -0.703) 5.192 4.315 ( 3.463 0.010 2.965) 4.559 4.435 ( 3.910 -1.372 0.952) 4.251 4.540 ( 5.691 -2.433 1.179) 6.300 4.596 ( -2.815 -2.333 -0.751) 3.733 4.701 ( 4.171 5.534 0.167) 6.932 4.786 ( -0.012 -3.166 3.670) 4.847 4.974 ( 0.991 1.334 5.534) 5.778 5.042 ( -1.804 -4.092 -6.442) 7.842 5.131 ( 4.289 2.438 -2.760) 5.652 5.203 ( 1.943 -2.924 -1.545) 3.836 5.322 ( -1.196 -7.252 -1.975) 7.611 5.448 ( 3.039 -1.000 2.410) 4.005 5.578 ( -0.866 -0.607 2.850) 3.040 5.746 ( 0.262 3.409 -0.482) 3.453 5.905 ( -0.328 -3.920 5.185) 6.508 6.182 ( -1.669 4.406 -1.039) 4.825 6.360 ( -0.252 -6.467 -2.190) 6.832 6.700 ( 5.450 4.843 0.576) 7.314 6.765 ( 3.776 1.170 0.366) 3.970 6.988 ( 0.344 5.575 -3.244) 6.459 7.110 ( 0.006 4.490 -2.197) 4.999 7.256 ( 1.790 0.889 6.839) 7.125 7.359 ( 3.958 0.780 -0.631) 4.083 7.561 ( -4.213 -3.756 3.145) 6.461 7.677 ( -4.883 -7.390 -1.214) 8.940 7.860 ( -1.714 3.975 -1.079) 4.461 8.030 ( 0.057 1.402 -4.028) 4.266 8.169 ( -1.424 0.201 -0.047) 1.439 8.301 ( -1.042 -1.763 0.432) 2.093 9.501 ( -0.393 6.166 0.534) 6.201 9.647 ( 0.329 5.707 -3.809) 6.869 9.766 ( -1.358 -3.206 -0.614) 3.536 9.813 ( 0.420 1.110 0.948) 1.519 9.904 ( -1.145 -4.422 -0.943) 4.665 9.958 ( -0.210 -3.945 -0.126) 3.952 10.028 ( -2.187 3.497 0.358) 4.140 10.135 ( 1.497 1.085 3.599) 4.046 10.175 ( -0.152 -2.196 -0.867) 2.365 10.308 ( -1.377 2.160 1.434) 2.936 10.480 ( 0.991 -11.964 1.109) 12.056 10.604 ( -0.505 -11.259 -0.175) 11.272 12.490 ( 2.039 2.681 -0.586) 3.419 12.547 ( 2.506 2.327 0.122) 3.422 12.598 ( 0.242 -0.136 0.145) 0.313 12.662 ( 0.615 -1.465 -0.376) 1.632 13.872 ( -1.490 1.025 0.118) 1.812 13.923 ( -1.551 -1.918 -0.005) 2.466 13.981 ( -0.535 0.829 -1.677) 1.946 14.121 ( -0.434 -5.316 1.611) 5.571 14.725 ( 1.836 -0.475 -2.032) 2.780 14.764 ( 2.035 -2.940 1.060) 3.729 15.009 ( -2.505 1.254 1.034) 2.986 15.065 ( -3.445 0.226 -0.459) 3.483 15.350 ( -1.175 5.699 -0.338) 5.829 15.432 ( -1.629 1.500 -0.393) 2.249 15.614 ( -1.420 1.938 1.714) 2.951 15.628 ( -2.122 0.841 -0.515) 2.340 15.788 ( 1.832 0.428 0.167) 1.889 15.893 ( -0.179 -2.693 0.287) 2.714 16.018 ( 0.469 3.581 0.007) 3.611 16.080 ( -1.694 1.060 -1.236) 2.350 16.524 ( 1.936 -0.020 -0.144) 1.942 16.563 ( 2.186 -0.222 0.594) 2.276 16.696 ( 2.326 -2.160 1.833) 3.666 16.704 ( 0.154 -3.377 -2.921) 4.468 17.409 ( 0.166 1.383 0.727) 1.572 17.493 ( -2.208 0.725 -1.933) 3.023 17.529 ( -2.699 -1.944 1.743) 3.755 17.578 ( -3.141 -1.554 0.119) 3.507 21.507 ( 0.501 2.555 0.347) 2.626 21.554 ( 0.819 1.136 1.622) 2.143 21.685 ( -4.222 0.535 -0.804) 4.331 21.724 ( -3.254 -0.588 -0.258) 3.317 27.308 ( -2.244 0.798 1.919) 3.059 27.322 ( -2.522 0.256 0.509) 2.586 27.477 ( -9.732 3.460 -0.107) 10.329 27.497 ( -9.658 2.071 -2.265) 10.134 28.734 ( 1.159 -0.147 0.093) 1.172 28.744 ( 1.449 -0.492 -0.240) 1.549 28.906 ( -3.133 2.418 0.615) 4.005 28.929 ( -3.539 1.389 -0.227) 3.808 29.817 ( 0.328 0.055 0.744) 0.815 29.836 ( 0.373 -0.841 0.464) 1.030 30.108 ( -6.486 -0.078 0.128) 6.487 30.124 ( -6.290 -0.756 -0.390) 6.347 30.673 ( 7.012 4.211 -1.068) 8.248 30.766 ( 7.313 0.575 0.485) 7.352 31.135 ( 3.742 -0.163 0.526) 3.782 31.257 ( 3.001 -5.527 -0.582) 6.316 31.633 ( 2.051 2.299 -2.027) 3.688 31.660 ( -0.081 0.790 -5.520) 5.577 31.824 ( 2.218 2.264 3.065) 4.409 31.966 ( 5.339 -5.218 9.460) 12.050 32.467 ( 3.290 10.709 -7.620) 13.549 32.714 ( 6.804 9.549 4.851) 12.689 32.882 ( 7.166 -7.697 -4.594) 11.476 33.121 ( 11.286 -7.445 0.275) 13.523 33.457 ( -4.058 6.272 0.422) 7.482 33.687 ( -4.247 -6.456 5.479) 9.473 33.780 ( -4.012 2.519 -2.492) 5.352 34.077 ( -1.275 -8.768 -2.060) 9.097 ======================= Grid point 26 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 2.622 1.994 -4.836) 5.851 1.730 ( 5.748 -0.621 -2.872) 6.456 1.820 ( 2.654 1.883 4.492) 5.547 1.890 ( 6.872 2.080 2.141) 7.492 2.043 ( 8.745 1.528 0.206) 8.880 2.130 ( 8.145 1.519 -1.086) 8.356 2.207 ( 0.634 -1.125 -1.156) 1.733 2.287 ( 0.859 -3.631 -1.827) 4.154 2.359 ( -1.498 -5.534 0.740) 5.781 2.440 ( 2.271 -4.284 0.766) 4.908 2.706 ( -0.980 2.318 6.050) 6.553 2.767 ( 0.673 -4.047 3.437) 5.352 2.791 ( 4.180 -0.634 -3.641) 5.579 2.832 ( -1.185 3.081 1.438) 3.601 2.981 ( 2.515 -4.451 1.176) 5.245 3.067 ( 6.625 7.212 0.929) 9.838 3.110 ( 5.131 5.689 -5.128) 9.219 3.191 ( 0.155 4.106 -5.515) 6.877 3.250 ( -9.822 -1.431 3.071) 10.390 3.394 ( -0.178 -3.996 -3.356) 5.221 3.460 ( -3.636 -3.695 4.159) 6.646 3.545 ( -3.563 -4.741 -6.187) 8.571 3.603 ( -2.923 1.930 -0.068) 3.504 3.643 ( -6.405 1.208 -0.440) 6.533 3.732 ( -0.422 4.969 0.907) 5.069 3.968 ( 5.585 0.368 -1.596) 5.820 4.047 ( 0.125 3.582 -0.335) 3.600 4.093 ( -1.510 10.156 -1.192) 10.337 4.210 ( 2.764 0.174 0.237) 2.780 4.267 ( 4.226 0.203 0.306) 4.242 4.304 ( 3.983 5.190 0.107) 6.543 4.418 ( 3.594 1.439 0.493) 3.903 4.469 ( -8.252 0.141 1.749) 8.436 4.498 ( 1.091 -2.368 2.273) 3.459 4.681 ( 6.788 0.350 1.070) 6.881 4.759 ( 1.051 3.838 2.373) 4.634 4.873 ( 6.452 -2.878 -0.484) 7.082 5.019 ( 2.323 -2.412 -2.851) 4.398 5.042 ( 1.144 2.688 1.056) 3.106 5.196 ( 4.298 -1.078 -2.299) 4.992 5.293 ( 5.501 -0.696 -2.757) 6.192 5.312 ( 4.463 -3.750 2.659) 6.408 5.534 ( 3.714 -4.714 0.126) 6.003 5.594 ( 0.717 -2.039 2.077) 2.998 5.733 ( -0.965 4.118 0.202) 4.235 5.902 ( -3.592 -3.063 3.109) 5.652 6.134 ( -2.439 5.194 -1.327) 5.890 6.323 ( -1.658 -4.877 -1.624) 5.402 6.803 ( 4.519 5.913 0.583) 7.465 6.837 ( 3.402 1.724 -0.044) 3.815 6.984 ( 1.132 4.718 -1.372) 5.042 7.082 ( -1.175 3.715 -2.015) 4.387 7.317 ( 0.346 2.883 4.156) 5.070 7.412 ( 2.805 -1.324 -1.591) 3.486 7.506 ( -3.563 -5.378 1.594) 6.645 7.599 ( -3.342 -5.544 1.538) 6.654 7.837 ( -0.721 4.271 0.258) 4.339 7.995 ( -0.549 1.804 -3.056) 3.591 8.152 ( -0.553 1.429 0.245) 1.552 8.280 ( -1.174 -1.080 0.088) 1.598 9.508 ( 0.338 5.062 0.900) 5.152 9.633 ( 0.757 4.520 -1.888) 4.957 9.736 ( -1.166 -4.836 -1.043) 5.083 9.816 ( 0.212 1.117 0.709) 1.340 9.867 ( -1.702 -3.739 -1.829) 4.496 9.914 ( -2.231 -1.658 -2.985) 4.079 10.005 ( -0.720 3.443 0.400) 3.541 10.119 ( -1.302 -3.662 -1.314) 4.103 10.244 ( 2.548 0.642 4.496) 5.207 10.308 ( -0.114 1.557 1.436) 2.122 10.503 ( 0.279 -11.430 0.931) 11.471 10.602 ( 0.132 -11.155 0.602) 11.172 12.518 ( 1.350 2.158 -0.463) 2.587 12.579 ( 0.716 0.021 0.284) 0.771 12.614 ( 1.322 1.836 0.126) 2.266 12.662 ( -0.207 -0.414 -0.519) 0.696 13.852 ( -0.647 0.677 -0.138) 0.946 13.904 ( -0.565 -2.521 -0.130) 2.587 13.968 ( -0.003 1.681 -0.627) 1.795 14.132 ( 0.154 -5.915 1.253) 6.049 14.763 ( 3.722 1.070 -1.278) 4.078 14.819 ( 2.691 -1.394 1.575) 3.415 14.951 ( -4.192 1.053 0.139) 4.324 14.991 ( -3.811 0.234 -0.867) 3.916 15.349 ( 0.676 2.489 0.049) 2.579 15.389 ( -1.954 0.827 -0.901) 2.305 15.593 ( -0.558 2.350 -0.260) 2.430 15.606 ( -1.397 1.570 1.356) 2.501 15.828 ( 2.095 0.256 0.175) 2.118 15.889 ( -0.648 -1.625 0.414) 1.798 16.027 ( 0.504 1.564 0.075) 1.645 16.047 ( -0.891 1.232 -0.813) 1.724 16.558 ( 1.695 -0.038 0.559) 1.785 16.595 ( 0.973 -0.561 0.062) 1.125 16.672 ( -1.110 -0.875 -2.329) 2.724 16.748 ( 1.630 -3.046 1.350) 3.709 17.418 ( 0.165 1.044 0.400) 1.130 17.447 ( -1.412 1.383 -0.786) 2.127 17.501 ( -1.364 -2.207 0.850) 2.730 17.530 ( -2.027 -1.891 0.133) 2.775 21.521 ( 0.942 1.684 -0.070) 1.931 21.577 ( 0.388 -0.265 0.550) 0.723 21.619 ( -2.051 1.466 -0.290) 2.537 21.670 ( -2.472 -0.340 -0.023) 2.495 27.250 ( -3.105 1.733 -2.228) 4.197 27.274 ( -2.247 0.273 -1.928) 2.973 27.351 ( -4.370 2.312 1.507) 5.168 27.381 ( -3.419 0.704 2.548) 4.322 28.757 ( 1.263 0.258 0.021) 1.289 28.768 ( 1.370 -0.223 -0.432) 1.454 28.859 ( -2.333 1.762 0.494) 2.965 28.873 ( -2.370 1.092 -0.164) 2.615 29.837 ( 1.363 -0.205 0.260) 1.403 29.859 ( 1.864 -1.191 -0.028) 2.212 30.003 ( -4.914 -0.548 0.278) 4.952 30.016 ( -4.808 -1.057 -0.386) 4.938 30.787 ( 5.518 3.722 -0.343) 6.665 30.884 ( 4.665 0.039 0.374) 4.680 31.168 ( -0.037 1.076 0.006) 1.077 31.295 ( 1.324 -4.075 -0.078) 4.285 31.639 ( 1.268 0.604 -2.258) 2.659 31.654 ( 1.299 0.348 -0.805) 1.567 31.888 ( 2.375 2.599 2.648) 4.406 32.034 ( -2.826 -4.654 2.967) 6.201 32.488 ( 3.569 11.850 -3.497) 12.860 32.843 ( 3.778 12.802 2.732) 13.625 32.950 ( 3.649 -8.537 -3.463) 9.909 33.285 ( 6.492 -3.004 -0.239) 7.158 33.418 ( -0.856 3.802 0.895) 3.998 33.646 ( -4.766 2.659 3.954) 6.740 33.715 ( -0.429 -9.285 -2.527) 9.632 34.058 ( -0.054 -9.779 -0.535) 9.794 ======================= Grid point 27 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 0.413 0.000) 0.413 1.751 ( 0.000 -3.370 0.000) 3.370 1.871 ( 0.000 4.452 0.000) 4.452 2.003 ( -0.000 4.841 -0.000) 4.841 2.142 ( 0.000 1.376 0.000) 1.376 2.154 ( -0.000 -6.166 0.000) 6.166 2.225 ( 0.000 -0.693 0.000) 0.693 2.308 ( -0.000 -3.308 0.000) 3.308 2.315 ( 0.000 -0.449 -0.000) 0.449 2.500 ( -0.000 -2.387 0.000) 2.387 2.728 ( 0.000 4.686 0.000) 4.686 2.768 ( 0.000 -0.948 -0.001) 0.948 2.769 ( -0.000 1.029 0.001) 1.029 2.865 ( -0.000 -4.394 -0.000) 4.394 3.026 ( 0.000 0.211 0.000) 0.211 3.087 ( 0.000 -8.692 0.000) 8.692 3.167 ( -0.000 2.066 0.000) 2.066 3.181 ( -0.000 3.910 -0.000) 3.910 3.184 ( 0.000 9.303 -0.000) 9.303 3.394 ( -0.000 4.918 -0.000) 4.918 3.424 ( 0.000 -1.083 -0.000) 1.083 3.452 ( -0.000 -0.684 0.000) 0.684 3.542 ( 0.000 -5.602 0.000) 5.602 3.582 ( 0.000 -1.032 0.000) 1.032 3.741 ( 0.000 4.667 0.000) 4.667 3.977 ( 0.000 10.508 0.000) 10.508 4.073 ( 0.000 7.854 0.000) 7.854 4.083 ( -0.000 -8.065 0.000) 8.065 4.246 ( 0.000 -1.343 -0.000) 1.343 4.280 ( 0.000 4.865 0.000) 4.865 4.363 ( -0.000 -1.912 0.000) 1.912 4.387 ( 0.000 0.688 0.000) 0.688 4.456 ( 0.000 0.958 0.000) 0.958 4.509 ( 0.000 -3.270 0.000) 3.270 4.754 ( 0.000 5.763 0.000) 5.763 4.789 ( -0.000 2.140 0.000) 2.140 4.940 ( 0.000 -0.882 0.000) 0.882 5.033 ( 0.000 5.414 -0.000) 5.414 5.039 ( 0.000 -6.412 0.000) 6.412 5.227 ( 0.000 3.729 0.000) 3.729 5.316 ( 0.000 -5.043 0.000) 5.043 5.488 ( 0.001 -4.615 0.000) 4.615 5.490 ( -0.001 -3.716 -0.000) 3.716 5.641 ( 0.000 -3.111 0.000) 3.111 5.730 ( 0.000 3.146 0.000) 3.146 5.858 ( 0.000 -1.041 0.000) 1.041 6.096 ( 0.000 6.392 -0.000) 6.392 6.298 ( 0.000 -3.756 -0.000) 3.756 6.851 ( 0.000 6.639 0.000) 6.639 6.871 ( 0.000 1.722 -0.000) 1.722 6.996 ( 0.000 3.354 0.000) 3.354 7.054 ( 0.000 3.678 0.000) 3.678 7.336 ( -0.000 3.549 0.000) 3.549 7.435 ( -0.000 -1.916 0.000) 1.916 7.474 ( 0.000 -5.395 -0.000) 5.395 7.576 ( 0.000 -5.826 0.000) 5.826 7.832 ( 0.000 4.289 0.000) 4.289 7.976 ( 0.000 2.530 0.000) 2.530 8.149 ( 0.000 1.586 0.000) 1.586 8.268 ( 0.000 -0.743 0.000) 0.743 9.516 ( 0.000 4.671 0.000) 4.671 9.638 ( 0.000 3.301 0.000) 3.301 9.716 ( 0.000 -4.032 0.000) 4.032 9.838 ( -0.000 -4.298 0.000) 4.298 9.843 ( 0.000 0.799 -0.000) 0.799 9.857 ( 0.000 0.150 0.000) 0.150 10.001 ( 0.000 2.712 0.000) 2.712 10.101 ( 0.000 -3.685 -0.000) 3.685 10.287 ( 0.000 -1.186 0.000) 1.186 10.316 ( 0.000 2.710 0.000) 2.710 10.507 ( 0.000 -11.528 0.000) 11.528 10.608 ( 0.000 -10.924 0.000) 10.924 12.529 ( 0.000 1.948 0.000) 1.948 12.586 ( -0.000 -0.177 0.000) 0.177 12.633 ( -0.000 1.574 0.000) 1.574 12.653 ( 0.000 0.353 0.000) 0.353 13.845 ( 0.000 0.474 0.000) 0.474 13.898 ( 0.000 -2.642 0.000) 2.642 13.966 ( 0.000 1.991 0.000) 1.991 14.139 ( 0.000 -6.152 0.000) 6.152 14.816 ( 0.000 2.496 0.000) 2.496 14.870 ( 0.000 1.395 0.000) 1.395 14.887 ( -0.000 -0.276 -0.000) 0.276 14.933 ( 0.000 -1.871 0.000) 1.871 15.357 ( 0.000 1.577 0.000) 1.577 15.366 ( 0.000 0.640 0.000) 0.640 15.590 ( 0.000 2.289 0.000) 2.289 15.596 ( 0.000 2.201 0.000) 2.201 15.855 ( -0.000 0.394 0.000) 0.394 15.879 ( 0.000 -1.518 0.000) 1.518 16.031 ( 0.000 1.328 -0.000) 1.328 16.038 ( 0.000 0.706 0.000) 0.706 16.583 ( 0.000 -0.924 0.000) 0.924 16.603 ( 0.000 -2.174 0.000) 2.174 16.645 ( -0.000 2.437 -0.000) 2.437 16.769 ( 0.000 -3.441 0.000) 3.441 17.418 ( 0.000 1.478 0.000) 1.478 17.434 ( 0.000 1.115 0.000) 1.115 17.492 ( 0.000 -2.140 0.000) 2.140 17.511 ( 0.000 -2.091 0.000) 2.091 21.535 ( 0.000 0.845 0.000) 0.845 21.569 ( 0.000 -0.826 0.000) 0.826 21.615 ( 0.000 1.749 0.000) 1.749 21.639 ( 0.000 0.388 0.000) 0.388 27.209 ( 0.000 1.771 0.000) 1.771 27.236 ( 0.000 0.330 0.000) 0.330 27.325 ( 0.000 2.142 0.000) 2.142 27.363 ( 0.000 0.239 0.000) 0.239 28.773 ( 0.000 0.428 0.000) 0.428 28.781 ( 0.000 0.008 0.000) 0.008 28.836 ( -0.000 1.433 0.000) 1.433 28.847 ( 0.000 0.938 0.000) 0.938 29.857 ( 0.000 -0.182 0.000) 0.182 29.889 ( 0.000 -1.602 0.000) 1.602 29.947 ( -0.000 -0.488 0.000) 0.488 29.962 ( 0.000 -1.194 0.000) 1.194 30.844 ( 0.000 3.175 0.000) 3.175 30.929 ( 0.000 -0.085 0.000) 0.085 31.161 ( 0.000 2.301 0.000) 2.301 31.306 ( 0.000 -3.817 0.000) 3.817 31.647 ( 0.000 0.470 0.000) 0.470 31.665 ( 0.000 -0.398 0.000) 0.398 31.963 ( -0.000 0.196 -0.000) 0.196 31.963 ( 0.000 -0.690 0.000) 0.690 32.513 ( 0.000 10.908 0.000) 10.908 32.889 ( 0.000 13.969 0.000) 13.969 32.969 ( 0.000 -8.884 0.000) 8.884 33.344 ( 0.000 5.331 0.000) 5.331 33.423 ( 0.000 -7.772 0.000) 7.772 33.605 ( -0.000 11.539 0.000) 11.539 33.706 ( 0.000 -15.345 0.000) 15.345 34.057 ( 0.000 -10.030 0.000) 10.030 ======================= Grid point 33 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -15.244 0.000) 15.244 1.349 ( 0.000 15.244 0.000) 15.244 1.439 ( 0.000 -17.271 0.000) 17.271 1.439 ( 0.000 17.271 0.000) 17.271 1.872 ( 0.000 -3.986 0.000) 3.986 1.872 ( 0.000 3.986 0.000) 3.986 1.910 ( 0.000 -1.839 0.000) 1.839 1.910 ( 0.000 1.839 0.000) 1.839 2.217 ( 0.000 -6.075 0.000) 6.075 2.217 ( 0.000 6.075 0.000) 6.075 2.339 ( 0.000 -3.920 0.000) 3.920 2.339 ( 0.000 3.920 0.000) 3.920 2.541 ( 0.000 -7.094 0.000) 7.094 2.541 ( 0.000 7.094 0.000) 7.094 2.801 ( 0.000 -3.012 0.000) 3.012 2.801 ( 0.000 3.012 0.000) 3.012 2.907 ( 0.000 -1.621 0.000) 1.621 2.907 ( 0.000 1.621 0.000) 1.621 3.054 ( 0.000 -14.726 0.000) 14.726 3.054 ( 0.000 14.726 0.000) 14.726 3.308 ( 0.000 -6.833 0.000) 6.833 3.308 ( 0.000 6.833 0.000) 6.833 3.685 ( 0.000 -5.007 0.000) 5.007 3.685 ( 0.000 5.007 0.000) 5.007 3.832 ( 0.000 -1.441 0.000) 1.441 3.832 ( 0.000 1.441 0.000) 1.441 3.930 ( 0.000 -3.404 0.000) 3.404 3.930 ( 0.000 3.404 0.000) 3.404 4.184 ( 0.000 -0.941 0.000) 0.941 4.184 ( 0.000 0.941 0.000) 0.941 4.279 ( 0.000 -11.976 0.000) 11.976 4.279 ( 0.000 11.976 0.000) 11.976 4.408 ( 0.000 -4.278 0.000) 4.278 4.408 ( 0.000 4.278 0.000) 4.278 4.492 ( 0.000 -9.473 0.000) 9.473 4.492 ( 0.000 9.473 0.000) 9.473 4.905 ( 0.000 -2.120 0.000) 2.120 4.905 ( 0.000 2.120 0.000) 2.120 5.114 ( 0.000 -8.392 0.000) 8.392 5.114 ( 0.000 8.392 0.000) 8.392 5.350 ( 0.000 -0.779 0.000) 0.779 5.350 ( 0.000 0.779 0.000) 0.779 5.609 ( 0.000 -0.483 0.000) 0.483 5.609 ( 0.000 0.483 0.000) 0.483 5.690 ( 0.000 -7.859 0.000) 7.859 5.690 ( 0.000 7.859 0.000) 7.859 6.326 ( 0.000 -4.548 0.000) 4.548 6.326 ( 0.000 4.548 0.000) 4.548 6.692 ( 0.000 -2.496 0.000) 2.496 6.692 ( 0.000 2.496 0.000) 2.496 6.948 ( 0.000 -4.683 0.000) 4.683 6.948 ( 0.000 4.683 0.000) 4.683 7.222 ( 0.000 -1.580 0.000) 1.580 7.222 ( 0.000 1.580 0.000) 1.580 7.791 ( 0.000 -0.294 0.000) 0.294 7.791 ( 0.000 0.294 0.000) 0.294 8.021 ( 0.000 -5.094 0.000) 5.094 8.021 ( 0.000 5.094 0.000) 5.094 8.208 ( 0.000 -2.782 0.000) 2.782 8.208 ( 0.000 2.782 0.000) 2.782 9.518 ( 0.000 -1.967 0.000) 1.967 9.518 ( 0.000 1.967 0.000) 1.967 9.793 ( 0.000 -9.710 0.000) 9.710 9.793 ( 0.000 9.710 0.000) 9.710 9.947 ( 0.000 -5.461 0.000) 5.461 9.947 ( 0.000 5.461 0.000) 5.461 10.084 ( 0.000 -5.458 0.000) 5.458 10.084 ( 0.000 5.458 0.000) 5.458 10.265 ( 0.000 -10.194 0.000) 10.194 10.265 ( 0.000 10.194 0.000) 10.194 10.502 ( 0.000 -5.279 0.000) 5.279 10.502 ( 0.000 5.279 0.000) 5.279 12.498 ( 0.000 -1.851 0.000) 1.851 12.498 ( 0.000 1.851 0.000) 1.851 12.549 ( 0.000 -2.665 0.000) 2.665 12.549 ( 0.000 2.665 0.000) 2.665 13.973 ( 0.000 -3.901 0.000) 3.901 13.973 ( 0.000 3.901 0.000) 3.901 14.135 ( 0.000 -3.649 0.000) 3.649 14.135 ( 0.000 3.649 0.000) 3.649 14.666 ( 0.000 -4.168 0.000) 4.168 14.666 ( 0.000 4.168 0.000) 4.168 15.107 ( 0.000 -1.664 0.000) 1.664 15.107 ( 0.000 1.664 0.000) 1.664 15.513 ( 0.000 -1.269 0.000) 1.269 15.513 ( 0.000 1.269 0.000) 1.269 15.749 ( 0.000 -4.147 0.000) 4.147 15.749 ( 0.000 4.147 0.000) 4.147 15.838 ( 0.000 -4.570 0.000) 4.570 15.838 ( 0.000 4.570 0.000) 4.570 16.067 ( 0.000 -0.023 0.000) 0.023 16.067 ( 0.000 0.023 0.000) 0.023 16.451 ( 0.000 -1.885 0.000) 1.885 16.451 ( 0.000 1.885 0.000) 1.885 16.615 ( 0.000 -1.091 0.000) 1.091 16.615 ( 0.000 1.091 0.000) 1.091 17.533 ( 0.000 -4.517 0.000) 4.517 17.533 ( 0.000 4.517 0.000) 4.517 17.685 ( 0.000 -1.635 0.000) 1.635 17.685 ( 0.000 1.635 0.000) 1.635 21.501 ( 0.000 -0.116 0.000) 0.116 21.501 ( 0.000 0.116 0.000) 0.116 21.916 ( 0.000 -0.597 0.000) 0.597 21.916 ( 0.000 0.597 0.000) 0.597 27.356 ( 0.000 -0.121 0.000) 0.121 27.356 ( 0.000 0.121 0.000) 0.121 28.104 ( 0.000 -4.727 0.000) 4.727 28.104 ( 0.000 4.727 0.000) 4.727 28.683 ( 0.000 -0.053 0.000) 0.053 28.683 ( 0.000 0.053 0.000) 0.053 29.146 ( 0.000 -5.351 0.000) 5.351 29.146 ( 0.000 5.351 0.000) 5.351 29.891 ( 0.000 -2.914 0.000) 2.914 29.891 ( 0.000 2.914 0.000) 2.914 30.393 ( 0.000 -1.694 0.000) 1.694 30.393 ( 0.000 1.694 0.000) 1.694 30.476 ( 0.000 -0.040 0.000) 0.040 30.476 ( 0.000 0.040 0.000) 0.040 30.853 ( 0.000 -4.487 0.000) 4.487 30.853 ( 0.000 4.487 0.000) 4.487 31.515 ( 0.000 -1.087 0.000) 1.087 31.515 ( 0.000 1.087 0.000) 1.087 31.886 ( 0.000 -1.870 0.000) 1.870 31.886 ( 0.000 1.870 0.000) 1.870 32.124 ( 0.000 -2.753 0.000) 2.753 32.124 ( 0.000 2.753 0.000) 2.753 32.514 ( 0.000 -4.304 0.000) 4.304 32.514 ( 0.000 4.304 0.000) 4.304 33.800 ( 0.000 -4.223 0.000) 4.223 33.800 ( 0.000 4.223 0.000) 4.223 34.145 ( 0.000 -6.313 0.000) 6.313 34.145 ( 0.000 6.313 0.000) 6.313 ======================= Grid point 35 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 3.714 -5.811 3.469) 7.720 1.405 ( 3.714 5.811 3.469) 7.720 1.473 ( 4.145 -9.439 -0.397) 10.317 1.473 ( 4.145 9.439 -0.397) 10.317 1.869 ( 1.354 -2.118 1.154) 2.767 1.869 ( 1.354 2.118 1.154) 2.767 1.984 ( 4.900 -3.398 3.972) 7.165 1.984 ( 4.900 3.398 3.972) 7.165 2.317 ( 3.221 -9.469 -3.639) 10.644 2.317 ( 3.221 9.469 -3.639) 10.644 2.400 ( 10.385 -3.428 -0.783) 10.964 2.400 ( 10.385 3.428 -0.783) 10.964 2.612 ( 5.571 -3.698 3.899) 7.740 2.612 ( 5.571 3.698 3.899) 7.740 2.753 ( -2.412 -1.784 -0.982) 3.157 2.753 ( -2.412 1.784 -0.982) 3.157 2.926 ( 3.745 -9.781 -1.179) 10.539 2.926 ( 3.745 9.781 -1.179) 10.539 3.104 ( 4.295 -14.251 1.696) 14.980 3.104 ( 4.295 14.251 1.696) 14.980 3.352 ( 6.714 -7.239 -2.710) 10.238 3.352 ( 6.714 7.239 -2.710) 10.238 3.689 ( 1.299 -2.983 -4.498) 5.551 3.689 ( 1.299 2.983 -4.498) 5.551 3.837 ( 1.156 -2.203 -0.254) 2.501 3.837 ( 1.156 2.203 -0.254) 2.501 3.992 ( 3.613 -3.257 6.102) 7.804 3.992 ( 3.613 3.257 6.102) 7.804 4.173 ( -0.293 -5.152 -0.595) 5.195 4.173 ( -0.293 5.152 -0.595) 5.195 4.291 ( -3.010 -0.138 -1.783) 3.502 4.291 ( -3.010 0.138 -1.783) 3.502 4.400 ( 2.823 -5.805 0.287) 6.461 4.400 ( 2.823 5.805 0.287) 6.461 4.515 ( 2.822 -8.904 -0.829) 9.377 4.515 ( 2.822 8.904 -0.829) 9.377 4.886 ( -1.994 -2.641 0.075) 3.310 4.886 ( -1.994 2.641 0.075) 3.310 5.117 ( -0.027 -7.603 0.449) 7.617 5.117 ( -0.027 7.603 0.449) 7.617 5.337 ( -1.838 -1.640 0.974) 2.649 5.337 ( -1.838 1.640 0.974) 2.649 5.601 ( -2.885 -5.870 -2.276) 6.925 5.601 ( -2.885 5.870 -2.276) 6.925 5.688 ( 1.991 -4.467 1.732) 5.188 5.688 ( 1.991 4.467 1.732) 5.188 6.313 ( -1.806 -3.473 1.228) 4.102 6.313 ( -1.806 3.473 1.228) 4.102 6.665 ( -1.308 -2.612 0.135) 2.924 6.665 ( -1.308 2.612 0.135) 2.924 7.007 ( 4.023 -2.174 1.919) 4.959 7.007 ( 4.023 2.174 1.919) 4.959 7.233 ( 2.094 -1.630 -2.149) 3.415 7.233 ( 2.094 1.630 -2.149) 3.415 7.741 ( -3.372 -3.938 -3.301) 6.147 7.741 ( -3.372 3.938 -3.301) 6.147 8.011 ( -1.014 -3.988 0.217) 4.120 8.011 ( -1.014 3.988 0.217) 4.120 8.222 ( 0.678 -2.573 0.807) 2.780 8.222 ( 0.678 2.573 0.807) 2.780 9.580 ( 4.491 -1.902 2.838) 5.642 9.580 ( 4.491 1.902 2.838) 5.642 9.782 ( -0.915 -9.702 -0.053) 9.745 9.782 ( -0.915 9.702 -0.053) 9.745 9.918 ( -2.739 -2.633 0.468) 3.828 9.918 ( -2.739 2.633 0.468) 3.828 10.102 ( 1.544 -3.930 -0.528) 4.255 10.102 ( 1.544 3.930 -0.528) 4.255 10.256 ( -1.121 -9.434 0.401) 9.509 10.256 ( -1.121 9.434 0.401) 9.509 10.480 ( -1.448 -5.384 -1.790) 5.856 10.480 ( -1.448 5.384 -1.790) 5.856 12.506 ( 0.749 -2.437 0.047) 2.550 12.506 ( 0.749 2.437 0.047) 2.550 12.561 ( 1.270 -2.713 0.059) 2.996 12.561 ( 1.270 2.713 0.059) 2.996 13.961 ( -1.012 -3.444 -0.533) 3.629 13.961 ( -1.012 3.444 -0.533) 3.629 14.104 ( -3.040 -3.415 0.302) 4.582 14.104 ( -3.040 3.415 0.302) 4.582 14.672 ( 0.721 -3.395 -0.189) 3.476 14.672 ( 0.721 3.395 -0.189) 3.476 15.097 ( -0.863 -2.094 -0.159) 2.270 15.097 ( -0.863 2.094 -0.159) 2.270 15.506 ( -0.925 -1.150 0.461) 1.546 15.506 ( -0.925 1.150 0.461) 1.546 15.743 ( -0.838 -3.242 -0.736) 3.428 15.743 ( -0.838 3.242 -0.736) 3.428 15.813 ( -2.040 -6.017 -0.389) 6.365 15.813 ( -2.040 6.017 -0.389) 6.365 16.078 ( 0.753 -2.928 0.657) 3.094 16.078 ( 0.753 2.928 0.657) 3.094 16.465 ( 1.657 -2.322 -0.288) 2.867 16.465 ( 1.657 2.322 -0.288) 2.867 16.619 ( 0.807 -1.625 -0.682) 1.938 16.619 ( 0.807 1.625 -0.682) 1.938 17.514 ( -1.687 -4.691 -0.440) 5.005 17.514 ( -1.687 4.691 -0.440) 5.005 17.661 ( -2.229 -1.795 -0.361) 2.884 17.661 ( -2.229 1.795 -0.361) 2.884 21.510 ( 0.419 -0.237 1.282) 1.370 21.510 ( 0.419 0.237 1.282) 1.370 21.878 ( -3.721 -0.352 -0.298) 3.750 21.878 ( -3.721 0.352 -0.298) 3.750 27.352 ( -1.337 -0.289 2.329) 2.701 27.352 ( -1.337 0.289 2.329) 2.701 27.998 ( -9.546 -3.158 -2.881) 10.460 27.998 ( -9.546 3.158 -2.881) 10.460 28.691 ( 0.773 -0.091 0.104) 0.785 28.691 ( 0.773 0.091 0.104) 0.785 29.096 ( -4.400 -3.583 -0.278) 5.681 29.096 ( -4.400 3.583 -0.278) 5.681 29.863 ( -2.947 -1.666 1.536) 3.718 29.863 ( -2.947 1.666 1.536) 3.718 30.344 ( -4.578 -0.783 -0.052) 4.645 30.344 ( -4.578 0.783 -0.052) 4.645 30.521 ( 4.464 -0.993 -0.463) 4.596 30.521 ( 4.464 0.993 -0.463) 4.596 30.934 ( 7.050 -4.424 0.483) 8.337 30.934 ( 7.050 4.424 0.483) 8.337 31.563 ( 4.245 -0.890 2.057) 4.801 31.563 ( 4.245 0.890 2.057) 4.801 31.810 ( -1.424 -5.021 -7.984) 9.538 31.810 ( -1.424 5.021 -7.984) 9.538 32.318 ( 12.439 -3.272 8.987) 15.691 32.318 ( 12.439 3.272 8.987) 15.691 32.551 ( 5.309 -4.539 -3.444) 7.788 32.551 ( 5.309 4.539 -3.444) 7.788 33.758 ( -4.523 -4.371 0.576) 6.316 33.758 ( -4.523 4.371 0.576) 6.316 34.100 ( -4.088 -6.402 -1.001) 7.662 34.100 ( -4.088 6.402 -1.001) 7.662 ======================= Grid point 37 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 6.817 -5.288 2.486) 8.979 1.524 ( 6.817 5.288 2.486) 8.979 1.571 ( 5.703 -3.595 0.675) 6.775 1.571 ( 5.703 3.595 0.675) 6.775 1.937 ( 4.164 -3.327 0.177) 5.332 1.937 ( 4.164 3.327 0.177) 5.332 2.106 ( 4.084 -0.965 2.331) 4.800 2.106 ( 4.084 0.965 2.331) 4.800 2.278 ( -1.432 -10.922 -0.714) 11.038 2.278 ( -1.432 10.922 -0.714) 11.038 2.570 ( 6.053 -3.052 -0.901) 6.838 2.570 ( 6.053 3.052 -0.901) 6.838 2.704 ( 2.554 -3.026 2.060) 4.463 2.704 ( 2.554 3.026 2.060) 4.463 2.825 ( 7.953 -4.190 1.497) 9.113 2.825 ( 7.953 4.190 1.497) 9.113 3.041 ( 7.017 -6.278 1.682) 9.564 3.041 ( 7.017 6.278 1.682) 9.564 3.256 ( 11.565 -12.144 -0.677) 16.783 3.256 ( 11.565 12.144 -0.677) 16.783 3.485 ( 9.386 -5.033 -5.822) 12.138 3.485 ( 9.386 5.033 -5.822) 12.138 3.649 ( -2.008 -0.658 -3.458) 4.053 3.649 ( -2.008 0.658 -3.458) 4.053 3.887 ( 3.756 -1.212 0.529) 3.982 3.887 ( 3.756 1.212 0.529) 3.982 4.097 ( -3.939 -1.740 2.834) 5.155 4.097 ( -3.939 1.740 2.834) 5.155 4.167 ( 5.384 -4.800 0.814) 7.258 4.167 ( 5.384 4.800 0.814) 7.258 4.219 ( 1.985 -5.711 -1.906) 6.340 4.219 ( 1.985 5.711 -1.906) 6.340 4.432 ( 0.153 -9.599 -3.083) 10.083 4.432 ( 0.153 9.599 -3.083) 10.083 4.607 ( 4.332 -5.979 5.289) 9.083 4.607 ( 4.332 5.979 5.289) 9.083 4.842 ( -1.881 -4.590 -1.000) 5.061 4.842 ( -1.881 4.590 -1.000) 5.061 5.119 ( -0.353 -5.374 1.242) 5.527 5.119 ( -0.353 5.374 1.242) 5.527 5.272 ( -4.486 -3.857 -3.966) 7.123 5.272 ( -4.486 3.857 -3.966) 7.123 5.516 ( -3.124 -6.783 0.866) 7.518 5.516 ( -3.124 6.783 0.866) 7.518 5.768 ( 3.488 -3.394 2.303) 5.384 5.768 ( 3.488 3.394 2.303) 5.384 6.286 ( -1.627 -3.082 0.414) 3.510 6.286 ( -1.627 3.082 0.414) 3.510 6.683 ( 2.895 -2.894 0.696) 4.152 6.683 ( 2.895 2.894 0.696) 4.152 7.080 ( 1.880 -2.499 1.530) 3.482 7.080 ( 1.880 2.499 1.530) 3.482 7.270 ( 3.318 -5.470 -1.049) 6.484 7.270 ( 3.318 5.470 -1.049) 6.484 7.642 ( -4.312 -5.354 -3.047) 7.519 7.642 ( -4.312 5.354 -3.047) 7.519 7.992 ( -1.222 -5.680 0.221) 5.814 7.992 ( -1.222 5.680 0.221) 5.814 8.232 ( 0.113 -4.259 -0.101) 4.262 8.232 ( 0.113 4.259 -0.101) 4.262 9.660 ( 1.101 -5.701 0.339) 5.816 9.660 ( 1.101 5.701 0.339) 5.816 9.779 ( 0.759 -7.328 -0.007) 7.367 9.779 ( 0.759 7.328 -0.007) 7.367 9.879 ( -1.490 -2.418 1.666) 3.293 9.879 ( -1.490 2.418 1.666) 3.293 10.116 ( -0.192 -3.116 0.195) 3.128 10.116 ( -0.192 3.116 0.195) 3.128 10.240 ( -0.408 -9.185 0.527) 9.209 10.240 ( -0.408 9.185 0.527) 9.209 10.436 ( -1.643 -6.850 -1.441) 7.190 10.436 ( -1.643 6.850 -1.441) 7.190 12.523 ( 1.026 -2.749 -0.116) 2.937 12.523 ( 1.026 2.749 -0.116) 2.937 12.592 ( 1.892 -2.831 0.047) 3.405 12.592 ( 1.892 2.831 0.047) 3.405 13.930 ( -1.713 -2.196 -0.820) 2.904 13.930 ( -1.713 2.196 -0.820) 2.904 14.052 ( -2.537 -3.391 0.657) 4.286 14.052 ( -2.537 3.391 0.657) 4.286 14.691 ( 1.624 -1.517 -0.444) 2.266 14.691 ( 1.624 1.517 -0.444) 2.266 15.076 ( -1.380 -2.320 -0.084) 2.701 15.076 ( -1.380 2.320 -0.084) 2.701 15.484 ( -1.895 -0.086 0.080) 1.899 15.484 ( -1.895 0.086 0.080) 1.899 15.687 ( -3.617 -1.646 -0.814) 4.056 15.687 ( -3.617 1.646 -0.814) 4.056 15.800 ( 0.612 -4.621 0.374) 4.676 15.800 ( 0.612 4.621 0.374) 4.676 16.089 ( -0.343 -2.832 0.433) 2.885 16.089 ( -0.343 2.832 0.433) 2.885 16.505 ( 2.808 -2.320 -0.519) 3.679 16.505 ( 2.808 2.320 -0.519) 3.679 16.636 ( 1.611 -1.406 -0.568) 2.212 16.636 ( 1.611 1.406 -0.568) 2.212 17.477 ( -1.696 -4.225 -0.267) 4.560 17.477 ( -1.696 4.225 -0.267) 4.560 17.606 ( -3.338 -1.916 -0.014) 3.849 17.606 ( -3.338 1.916 -0.014) 3.849 21.531 ( 0.509 -0.830 1.572) 1.849 21.531 ( 0.509 0.830 1.572) 1.849 21.792 ( -4.864 -0.442 -0.575) 4.918 21.792 ( -4.864 0.442 -0.575) 4.918 27.342 ( -2.128 -0.469 3.117) 3.803 27.342 ( -2.128 0.469 3.117) 3.803 27.756 ( -12.790 -0.840 -3.461) 13.277 27.756 ( -12.790 0.840 -3.461) 13.277 28.711 ( 1.238 -0.198 0.056) 1.255 28.711 ( 1.238 0.198 0.056) 1.255 29.010 ( -4.436 -1.474 0.022) 4.675 29.010 ( -4.436 1.474 0.022) 4.675 29.829 ( -1.708 -0.712 1.341) 2.285 29.829 ( -1.708 0.712 1.341) 2.285 30.238 ( -6.664 -0.247 -0.008) 6.669 30.238 ( -6.664 0.247 -0.008) 6.669 30.621 ( 6.724 -1.920 -0.722) 7.030 30.621 ( 6.724 1.920 -0.722) 7.030 31.067 ( 6.414 -4.154 0.260) 7.646 31.067 ( 6.414 4.154 0.260) 7.646 31.671 ( 4.088 -2.516 -1.519) 5.034 31.671 ( 4.088 2.516 -1.519) 5.034 31.765 ( 2.048 -2.039 0.373) 2.914 31.765 ( 2.048 2.039 0.373) 2.914 32.597 ( 8.963 -7.320 0.908) 11.607 32.597 ( 8.963 7.320 0.908) 11.607 32.669 ( 12.179 -5.223 -0.253) 13.254 32.669 ( 12.179 5.223 -0.253) 13.254 33.661 ( -6.259 -4.789 1.384) 8.002 33.661 ( -6.259 4.789 1.384) 8.002 33.999 ( -5.237 -6.913 -1.505) 8.802 33.999 ( -5.237 6.913 -1.505) 8.802 ======================= Grid point 39 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 5.079 -4.354 -4.441) 8.029 1.651 ( 5.079 4.354 -4.441) 8.029 1.698 ( 7.023 -1.665 5.612) 9.143 1.698 ( 7.023 1.665 5.612) 9.143 2.024 ( 8.306 -8.044 -4.437) 12.385 2.024 ( 8.306 8.044 -4.437) 12.385 2.151 ( 0.463 -5.679 2.801) 6.349 2.151 ( 0.463 5.679 2.801) 6.349 2.304 ( 1.520 -5.951 1.008) 6.224 2.304 ( 1.520 5.951 1.008) 6.224 2.637 ( 2.785 -4.069 1.889) 5.280 2.637 ( 2.785 4.069 1.889) 5.280 2.794 ( 3.651 -3.432 2.384) 5.549 2.794 ( 3.651 3.432 2.384) 5.549 2.955 ( 4.951 -4.382 1.974) 6.900 2.955 ( 4.951 4.382 1.974) 6.900 3.161 ( 4.876 -4.732 0.669) 6.827 3.161 ( 4.876 4.732 0.669) 6.827 3.374 ( 0.199 -4.827 -6.317) 7.953 3.374 ( 0.199 4.827 -6.317) 7.953 3.534 ( -0.865 -2.529 -4.526) 5.257 3.534 ( -0.865 2.529 -4.526) 5.257 3.646 ( 4.846 -4.123 -0.826) 6.416 3.646 ( 4.846 4.123 -0.826) 6.416 3.872 ( -4.484 -2.596 -0.387) 5.196 3.872 ( -4.484 2.596 -0.387) 5.196 4.080 ( 4.036 -0.844 0.906) 4.222 4.080 ( 4.036 0.844 0.906) 4.222 4.301 ( 3.111 -4.527 0.825) 5.554 4.301 ( 3.111 4.527 0.825) 5.554 4.338 ( 6.999 -3.982 2.905) 8.560 4.338 ( 6.999 3.982 2.905) 8.560 4.400 ( 2.383 -10.925 -3.797) 11.809 4.400 ( 2.383 10.925 -3.797) 11.809 4.666 ( -2.959 -8.194 5.914) 10.530 4.666 ( -2.959 8.194 5.914) 10.530 4.852 ( 5.088 -8.999 -1.414) 10.434 4.852 ( 5.088 8.999 -1.414) 10.434 5.110 ( -2.278 -8.413 1.083) 8.783 5.110 ( -2.278 8.413 1.083) 8.783 5.199 ( 3.769 -3.505 -5.161) 7.289 5.199 ( 3.769 3.505 -5.161) 7.289 5.505 ( 0.109 -5.493 1.225) 5.629 5.505 ( 0.109 5.493 1.225) 5.629 5.822 ( 0.076 -4.230 2.722) 5.031 5.822 ( 0.076 4.230 2.722) 5.031 6.262 ( -0.910 -4.002 -0.802) 4.181 6.262 ( -0.910 4.002 -0.802) 4.181 6.767 ( 4.941 -1.625 1.114) 5.319 6.767 ( 4.941 1.625 1.114) 5.319 7.101 ( 0.683 -4.920 -1.287) 5.132 7.101 ( 0.683 4.920 -1.287) 5.132 7.328 ( 2.161 -5.725 1.804) 6.380 7.328 ( 2.161 5.725 1.804) 6.380 7.546 ( -4.123 -5.202 -1.219) 6.749 7.546 ( -4.123 5.202 -1.219) 6.749 7.971 ( -1.091 -6.451 0.041) 6.542 7.971 ( -1.091 6.451 0.041) 6.542 8.226 ( -0.336 -4.829 -0.684) 4.889 8.226 ( -0.336 4.829 -0.684) 4.889 9.645 ( -1.358 -7.662 -0.393) 7.791 9.645 ( -1.358 7.662 -0.393) 7.791 9.769 ( -0.908 -6.671 -1.792) 6.967 9.769 ( -0.908 6.671 -1.792) 6.967 9.891 ( 0.609 -3.509 0.007) 3.561 9.891 ( 0.609 3.509 0.007) 3.561 10.096 ( -1.824 -3.256 0.234) 3.740 10.096 ( -1.824 3.256 0.234) 3.740 10.262 ( 1.566 -9.234 1.824) 9.542 10.262 ( 1.566 9.234 1.824) 9.542 10.407 ( -1.038 -7.988 0.764) 8.091 10.407 ( -1.038 7.988 0.764) 8.091 12.542 ( 1.132 -2.271 -0.092) 2.539 12.542 ( 1.132 2.271 -0.092) 2.539 12.625 ( 1.577 -2.245 -0.179) 2.749 12.625 ( 1.577 2.245 -0.179) 2.749 13.893 ( -1.436 -1.256 -0.836) 2.083 13.893 ( -1.436 1.256 -0.836) 2.083 14.028 ( -0.810 -3.898 0.894) 4.080 14.028 ( -0.810 3.898 0.894) 4.080 14.727 ( 2.739 -0.819 -0.384) 2.884 14.727 ( 2.739 0.819 -0.384) 2.884 15.041 ( -2.479 -1.861 -0.127) 3.102 15.041 ( -2.479 1.861 -0.127) 3.102 15.436 ( -2.634 -1.859 -0.816) 3.326 15.436 ( -2.634 1.859 -0.816) 3.326 15.635 ( -1.953 -0.490 0.856) 2.188 15.635 ( -1.953 0.490 0.856) 2.188 15.823 ( 1.401 -3.360 0.294) 3.653 15.823 ( 1.401 3.360 0.294) 3.653 16.073 ( -1.183 -1.783 -0.186) 2.148 16.073 ( -1.183 1.783 -0.186) 2.148 16.548 ( 2.200 -1.930 -0.725) 3.015 16.548 ( 2.200 1.930 -0.725) 3.015 16.665 ( 1.648 -0.399 -0.030) 1.696 16.665 ( 1.648 0.399 -0.030) 1.696 17.453 ( -0.805 -2.916 0.140) 3.028 17.453 ( -0.805 2.916 0.140) 3.028 17.544 ( -3.384 -1.861 0.237) 3.869 17.544 ( -3.384 1.861 0.237) 3.869 21.549 ( 0.283 -1.470 0.954) 1.776 21.549 ( 0.283 1.470 0.954) 1.776 21.705 ( -3.776 -1.232 -0.467) 3.999 21.705 ( -3.776 1.232 -0.467) 3.999 27.320 ( -2.190 -0.382 1.356) 2.604 27.320 ( -2.190 0.382 1.356) 2.604 27.516 ( -10.325 -0.433 -1.472) 10.438 27.516 ( -10.325 0.433 -1.472) 10.438 28.736 ( 1.515 -0.288 -0.122) 1.547 28.736 ( 1.515 0.288 -0.122) 1.547 28.937 ( -3.597 -0.617 0.114) 3.651 28.937 ( -3.597 0.617 0.114) 3.651 29.822 ( 0.102 -0.532 0.673) 0.863 29.822 ( 0.102 0.532 0.673) 0.863 30.111 ( -6.708 -0.451 -0.138) 6.725 30.111 ( -6.708 0.451 -0.138) 6.725 30.746 ( 6.961 -2.730 -0.502) 7.493 30.746 ( 6.961 2.730 -0.502) 7.493 31.166 ( 4.023 -3.433 0.217) 5.293 31.166 ( 4.023 3.433 0.217) 5.293 31.663 ( 0.594 -0.641 -4.650) 4.731 31.663 ( 0.594 0.641 -4.650) 4.731 31.878 ( 3.470 -3.654 6.679) 8.367 31.878 ( 3.470 3.654 6.679) 8.367 32.692 ( 6.190 -11.383 -6.771) 14.619 32.692 ( 6.190 11.383 -6.771) 14.619 32.923 ( 10.988 -11.437 3.918) 16.336 32.923 ( 10.988 11.437 3.918) 16.336 33.568 ( -4.992 -5.231 2.010) 7.505 33.568 ( -4.992 5.231 2.010) 7.505 33.903 ( -3.657 -8.452 -1.405) 9.316 33.903 ( -3.657 8.452 -1.405) 9.316 ======================= Grid point 41 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.847 -4.671 -5.624) 7.540 1.667 ( 1.847 4.671 -5.624) 7.540 1.878 ( 6.383 -2.756 6.839) 9.753 1.878 ( 6.383 2.756 6.839) 9.753 2.117 ( 2.541 -5.729 -1.841) 6.532 2.117 ( 2.541 5.729 -1.841) 6.532 2.236 ( 6.239 -5.937 -0.925) 8.662 2.236 ( 6.239 5.937 -0.925) 8.662 2.314 ( 1.865 -6.131 -0.507) 6.429 2.314 ( 1.865 6.131 -0.507) 6.429 2.707 ( 2.178 -1.064 3.227) 4.036 2.707 ( 2.178 1.064 3.227) 4.036 2.848 ( 0.390 -3.742 1.977) 4.250 2.848 ( 0.390 3.742 1.977) 4.250 3.017 ( -1.890 -8.349 2.014) 8.794 3.017 ( -1.890 8.349 2.014) 8.794 3.221 ( 1.016 -2.658 -4.230) 5.098 3.221 ( 1.016 2.658 -4.230) 5.098 3.307 ( 3.293 -5.344 -1.438) 6.440 3.307 ( 3.293 5.344 -1.438) 6.440 3.447 ( -3.408 -3.572 -3.768) 6.211 3.447 ( -3.408 3.572 -3.768) 6.211 3.635 ( -5.234 -1.525 -0.925) 5.529 3.635 ( -5.234 1.525 -0.925) 5.529 3.870 ( 2.017 -7.527 1.714) 7.979 3.870 ( 2.017 7.527 1.714) 7.979 4.157 ( 1.515 -3.942 1.014) 4.343 4.157 ( 1.515 3.942 1.014) 4.343 4.255 ( -1.588 -2.730 -4.211) 5.264 4.255 ( -1.588 2.730 -4.211) 5.264 4.401 ( -3.555 -5.888 2.710) 7.393 4.401 ( -3.555 5.888 2.710) 7.393 4.457 ( 2.604 -3.262 1.191) 4.341 4.457 ( 2.604 3.262 1.191) 4.341 4.726 ( 6.071 -4.727 2.759) 8.174 4.726 ( 6.071 4.727 2.759) 8.174 4.967 ( 6.512 -7.978 -0.243) 10.301 4.967 ( 6.512 7.978 -0.243) 10.301 5.084 ( -0.675 -6.002 -1.272) 6.172 5.084 ( -0.675 6.002 -1.272) 6.172 5.298 ( 7.803 -2.565 -1.607) 8.370 5.298 ( 7.803 2.565 -1.607) 8.370 5.521 ( 0.606 -4.093 0.483) 4.166 5.521 ( 0.606 4.093 0.483) 4.166 5.819 ( -1.992 -4.666 2.207) 5.533 5.819 ( -1.992 4.666 2.207) 5.533 6.235 ( -1.235 -4.620 -1.078) 4.902 6.235 ( -1.235 4.620 -1.078) 4.902 6.859 ( 3.591 -0.189 0.967) 3.724 6.859 ( 3.591 0.189 0.967) 3.724 7.097 ( 0.471 -4.043 -2.002) 4.536 7.097 ( 0.471 4.043 -2.002) 4.536 7.365 ( 0.634 -4.054 1.201) 4.275 7.365 ( 0.634 4.054 1.201) 4.275 7.479 ( -2.748 -5.175 0.553) 5.886 7.479 ( -2.748 5.175 0.553) 5.886 7.954 ( -0.735 -5.791 0.093) 5.838 7.954 ( -0.735 5.791 0.093) 5.838 8.214 ( -0.359 -4.382 -0.490) 4.424 8.214 ( -0.359 4.382 -0.490) 4.424 9.624 ( -0.748 -6.209 0.301) 6.262 9.624 ( -0.748 6.209 0.301) 6.262 9.738 ( -0.697 -6.246 -1.599) 6.485 9.738 ( -0.697 6.246 -1.599) 6.485 9.883 ( -0.438 -2.525 -1.545) 2.992 9.883 ( -0.438 2.525 -1.545) 2.992 10.065 ( -1.294 -2.596 -0.267) 2.913 10.065 ( -1.294 2.596 -0.267) 2.913 10.303 ( 1.126 -6.916 1.146) 7.100 10.303 ( 1.126 6.916 1.146) 7.100 10.410 ( -0.092 -7.569 2.130) 7.864 10.410 ( -0.092 7.569 2.130) 7.864 12.560 ( 0.775 -1.832 -0.022) 1.989 12.560 ( 0.775 1.832 -0.022) 1.989 12.645 ( 0.853 -1.254 -0.222) 1.533 12.645 ( 0.853 1.254 -0.222) 1.533 13.868 ( -0.640 -1.191 -0.525) 1.450 13.868 ( -0.640 1.191 -0.525) 1.450 14.028 ( -0.018 -4.436 0.660) 4.485 14.028 ( -0.018 4.436 0.660) 4.485 14.789 ( 4.103 -1.497 0.303) 4.378 14.789 ( 4.103 1.497 0.303) 4.378 14.976 ( -4.229 -1.351 -0.703) 4.495 14.976 ( -4.229 1.351 -0.703) 4.495 15.391 ( -1.461 -1.110 -0.531) 1.910 15.391 ( -1.461 1.110 -0.531) 1.910 15.619 ( -0.739 -0.371 0.781) 1.137 15.619 ( -0.739 0.371 0.781) 1.137 15.849 ( 1.030 -1.932 0.158) 2.195 15.849 ( 1.030 1.932 0.158) 2.195 16.053 ( -0.734 -0.718 -0.109) 1.032 16.053 ( -0.734 0.718 -0.109) 1.032 16.571 ( 0.969 -1.435 -0.750) 1.887 16.571 ( 0.969 1.435 -0.750) 1.887 16.691 ( 0.949 -2.460 0.279) 2.651 16.691 ( 0.949 2.460 0.279) 2.651 17.448 ( -0.005 -1.776 0.140) 1.781 17.448 ( -0.005 1.776 0.140) 1.781 17.492 ( -2.360 -1.777 0.253) 2.965 17.492 ( -2.360 1.777 0.253) 2.965 21.554 ( -0.100 -1.578 0.105) 1.585 21.554 ( -0.100 1.578 0.105) 1.585 21.653 ( -1.732 -1.461 0.019) 2.267 21.653 ( -1.732 1.461 0.019) 2.267 27.272 ( -2.555 -0.537 -2.085) 3.342 27.272 ( -2.555 0.537 -2.085) 3.342 27.382 ( -4.309 -0.749 2.034) 4.824 27.382 ( -4.309 0.749 2.034) 4.824 28.763 ( 1.513 -0.282 -0.253) 1.560 28.763 ( 1.513 0.282 -0.253) 1.560 28.881 ( -2.569 -0.362 0.154) 2.599 28.881 ( -2.569 0.362 0.154) 2.599 29.841 ( 1.454 -0.611 0.169) 1.586 29.841 ( 1.454 0.611 0.169) 1.586 30.001 ( -4.993 -0.361 -0.067) 5.006 30.001 ( -4.993 0.361 -0.067) 5.006 30.855 ( 4.796 -2.851 -0.133) 5.581 30.855 ( 4.796 2.851 -0.133) 5.581 31.216 ( 1.404 -3.637 -0.002) 3.899 31.216 ( 1.404 3.637 -0.002) 3.899 31.652 ( 0.964 -0.579 -1.830) 2.148 31.652 ( 0.964 0.579 -1.830) 2.148 31.948 ( -0.031 -3.829 3.618) 5.268 31.948 ( -0.031 3.829 3.618) 5.268 32.738 ( 3.740 -12.629 -4.633) 13.962 32.738 ( 3.740 12.629 -4.633) 13.962 33.111 ( 6.601 -13.528 2.503) 15.259 33.111 ( 6.601 13.528 2.503) 15.259 33.505 ( -3.312 -6.234 1.060) 7.138 33.505 ( -3.312 6.234 1.060) 7.138 33.850 ( -1.271 -10.869 -0.651) 10.962 33.850 ( -1.271 10.869 -0.651) 10.962 ======================= Grid point 43 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 -4.945 0.000) 4.945 1.658 ( 0.000 4.945 0.000) 4.945 1.984 ( 0.000 -5.607 0.000) 5.607 1.984 ( 0.000 5.607 0.000) 5.607 2.122 ( 0.000 -2.070 0.000) 2.070 2.122 ( 0.000 2.070 0.000) 2.070 2.252 ( 0.000 -2.882 0.000) 2.882 2.252 ( 0.000 2.882 0.000) 2.882 2.387 ( 0.000 -7.417 -0.000) 7.417 2.387 ( 0.000 7.417 -0.000) 7.417 2.765 ( 0.000 -1.766 0.000) 1.766 2.765 ( 0.000 1.766 0.000) 1.766 2.825 ( 0.000 -0.628 0.000) 0.628 2.825 ( -0.000 0.628 0.000) 0.628 2.975 ( 0.000 -0.743 0.000) 0.743 2.975 ( 0.000 0.743 0.000) 0.743 3.205 ( 0.000 -0.753 0.000) 0.753 3.205 ( 0.000 0.753 0.000) 0.753 3.390 ( 0.000 -9.809 0.000) 9.809 3.390 ( 0.000 9.809 0.000) 9.809 3.411 ( 0.000 -0.584 0.000) 0.584 3.411 ( 0.000 0.585 0.000) 0.585 3.533 ( -0.000 -4.130 0.000) 4.130 3.533 ( -0.000 4.130 0.000) 4.130 3.897 ( 0.000 -10.385 0.000) 10.385 3.897 ( -0.000 10.385 -0.000) 10.385 4.156 ( 0.000 -7.877 -0.000) 7.877 4.156 ( -0.000 7.877 0.000) 7.877 4.230 ( 0.000 -7.281 -0.000) 7.281 4.230 ( 0.000 7.281 0.000) 7.281 4.373 ( 0.000 -4.656 0.000) 4.656 4.373 ( 0.000 4.656 0.000) 4.656 4.482 ( 0.000 -0.654 0.000) 0.654 4.482 ( 0.000 0.654 0.000) 0.654 4.814 ( 0.000 -0.177 0.000) 0.177 4.814 ( 0.000 0.177 0.000) 0.177 5.027 ( 0.000 -5.917 0.000) 5.917 5.027 ( -0.000 5.917 0.000) 5.917 5.072 ( 0.000 -9.751 0.000) 9.751 5.072 ( -0.000 9.751 0.000) 9.751 5.383 ( 0.000 -5.422 0.000) 5.422 5.383 ( 0.000 5.422 0.000) 5.422 5.527 ( 0.000 -6.711 -0.000) 6.711 5.527 ( 0.000 6.711 0.000) 6.711 5.805 ( 0.000 -3.758 0.000) 3.758 5.805 ( 0.000 3.758 0.000) 3.758 6.214 ( 0.000 -5.084 0.000) 5.084 6.214 ( 0.000 5.085 -0.000) 5.085 6.898 ( 0.000 -0.558 0.000) 0.558 6.898 ( 0.000 0.558 0.000) 0.558 7.093 ( 0.000 -2.451 0.000) 2.451 7.093 ( 0.000 2.451 0.000) 2.451 7.374 ( 0.000 -2.505 0.000) 2.505 7.374 ( 0.000 2.505 0.000) 2.505 7.456 ( 0.000 -5.011 0.000) 5.011 7.456 ( 0.000 5.011 0.000) 5.011 7.947 ( 0.000 -5.326 0.000) 5.326 7.947 ( 0.000 5.326 0.000) 5.326 8.209 ( 0.000 -4.035 0.000) 4.035 8.209 ( 0.000 4.035 0.000) 4.035 9.620 ( 0.000 -5.340 0.000) 5.340 9.620 ( 0.000 5.340 0.000) 5.340 9.725 ( 0.000 -5.782 0.000) 5.782 9.725 ( 0.000 5.782 0.000) 5.782 9.869 ( 0.000 -0.578 0.000) 0.578 9.869 ( 0.000 0.578 -0.000) 0.578 10.051 ( 0.000 -2.242 0.000) 2.242 10.051 ( 0.000 2.242 0.000) 2.242 10.317 ( 0.000 -6.244 0.000) 6.244 10.317 ( 0.000 6.244 0.000) 6.244 10.420 ( 0.000 -7.624 0.000) 7.624 10.420 ( 0.000 7.624 0.000) 7.624 12.567 ( 0.000 -1.657 0.000) 1.657 12.567 ( 0.000 1.657 0.000) 1.657 12.652 ( 0.000 -0.449 0.000) 0.449 12.652 ( 0.000 0.449 0.000) 0.449 13.860 ( 0.000 -1.239 0.000) 1.239 13.860 ( 0.000 1.239 0.000) 1.239 14.031 ( 0.000 -4.630 0.000) 4.630 14.031 ( 0.000 4.630 0.000) 4.630 14.868 ( -0.000 -2.245 0.000) 2.245 14.868 ( -0.000 2.245 -0.000) 2.245 14.894 ( 0.000 -1.416 0.000) 1.416 14.894 ( 0.000 1.416 0.000) 1.416 15.376 ( 0.000 -0.121 0.000) 0.121 15.376 ( 0.000 0.121 0.000) 0.121 15.615 ( 0.000 -0.298 0.000) 0.298 15.615 ( 0.000 0.298 0.000) 0.298 15.859 ( 0.000 -0.359 0.000) 0.359 15.859 ( 0.000 0.359 0.000) 0.359 16.046 ( 0.000 -0.089 0.000) 0.089 16.046 ( 0.000 0.089 0.000) 0.089 16.576 ( 0.000 -0.409 0.000) 0.409 16.576 ( 0.000 0.409 0.000) 0.409 16.701 ( 0.000 -3.315 0.000) 3.315 16.702 ( 0.000 3.315 0.000) 3.315 17.451 ( 0.000 -1.911 0.000) 1.911 17.451 ( 0.000 1.911 0.000) 1.911 17.468 ( 0.000 -2.206 -0.000) 2.206 17.468 ( 0.000 2.206 0.000) 2.206 21.552 ( 0.000 -0.886 0.000) 0.886 21.552 ( 0.000 0.886 0.000) 0.886 21.638 ( 0.000 -0.598 0.000) 0.598 21.638 ( 0.000 0.598 0.000) 0.598 27.234 ( 0.000 -0.656 0.000) 0.656 27.234 ( 0.000 0.656 0.000) 0.656 27.357 ( 0.000 -1.002 0.000) 1.002 27.357 ( 0.000 1.002 0.000) 1.002 28.780 ( 0.000 -0.205 0.000) 0.205 28.780 ( 0.000 0.205 0.000) 0.205 28.854 ( -0.000 -0.272 0.000) 0.272 28.854 ( 0.000 0.273 0.000) 0.273 29.864 ( 0.000 -0.879 0.000) 0.879 29.864 ( 0.000 0.879 0.000) 0.879 29.945 ( 0.000 -0.416 0.000) 0.416 29.945 ( 0.000 0.416 0.000) 0.416 30.902 ( 0.000 -2.493 0.000) 2.493 30.902 ( 0.000 2.493 -0.000) 2.493 31.226 ( 0.000 -4.075 0.000) 4.075 31.226 ( 0.000 4.075 0.000) 4.075 31.658 ( 0.000 -0.510 0.000) 0.510 31.658 ( 0.000 0.510 0.000) 0.510 31.956 ( 0.000 -0.143 0.000) 0.143 31.956 ( 0.000 0.143 0.000) 0.143 32.756 ( 0.000 -12.533 0.000) 12.533 32.756 ( 0.000 12.533 -0.000) 12.533 33.187 ( 0.000 -15.553 0.000) 15.553 33.187 ( 0.000 15.553 0.000) 15.553 33.473 ( 0.000 -8.361 0.000) 8.361 33.473 ( 0.000 8.361 0.000) 8.361 33.838 ( 0.000 -11.963 0.000) 11.963 33.838 ( -0.000 11.963 0.000) 11.963 ======================= Grid point 77 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 1.495 0.000 26.321) 26.363 0.585 ( 6.211 0.000 29.660) 30.303 0.908 ( -1.927 0.000 45.634) 45.675 1.398 ( -1.787 0.000 -14.781) 14.889 1.616 ( -2.448 0.000 -21.083) 21.225 1.735 ( 0.545 0.000 4.204) 4.239 1.877 ( -0.719 0.000 -3.021) 3.105 2.069 ( 4.921 0.000 0.334) 4.932 2.120 ( -2.178 0.000 -3.577) 4.188 2.226 ( 0.610 0.000 12.878) 12.893 2.272 ( 5.970 0.000 -5.415) 8.060 2.480 ( 2.484 0.000 3.622) 4.392 2.482 ( 0.905 0.000 0.500) 1.034 2.689 ( 0.727 0.000 3.776) 3.846 2.738 ( -0.074 0.000 -15.593) 15.594 2.773 ( 1.855 0.000 7.454) 7.681 2.928 ( -0.523 0.000 -2.204) 2.265 3.003 ( -0.659 0.000 -6.677) 6.709 3.162 ( -6.334 0.000 -1.034) 6.418 3.195 ( -3.937 0.000 0.792) 4.016 3.285 ( 9.231 0.000 1.414) 9.339 3.432 ( 0.255 0.000 -2.060) 2.075 3.553 ( -0.261 0.000 2.058) 2.074 3.703 ( 2.090 0.000 1.936) 2.849 3.805 ( 3.135 0.000 0.033) 3.135 3.889 ( 3.090 0.000 -3.115) 4.388 3.981 ( -4.005 0.000 0.507) 4.037 4.004 ( -7.291 0.000 2.643) 7.756 4.077 ( -1.052 0.000 -1.178) 1.579 4.188 ( 5.102 0.000 -5.233) 7.309 4.196 ( 4.388 0.000 2.204) 4.910 4.340 ( 0.233 0.000 -4.555) 4.561 4.407 ( 4.375 0.000 -2.733) 5.158 4.452 ( -7.042 0.000 -2.627) 7.516 4.496 ( -5.907 0.000 4.141) 7.214 4.765 ( 18.971 0.000 -1.008) 18.997 4.847 ( 3.195 0.000 2.045) 3.793 4.954 ( -1.958 0.000 5.855) 6.173 5.146 ( 18.562 0.000 -1.662) 18.636 5.161 ( -0.941 0.000 -6.660) 6.726 5.246 ( -21.161 0.000 2.654) 21.327 5.336 ( 0.381 0.000 -3.004) 3.028 5.418 ( -0.485 0.000 0.269) 0.555 5.501 ( 0.833 0.000 -2.133) 2.290 5.652 ( 1.274 0.000 5.713) 5.853 5.907 ( -0.741 0.000 15.354) 15.372 5.979 ( 0.502 0.000 -9.802) 9.815 6.393 ( -13.848 0.000 -3.335) 14.243 6.741 ( -5.755 0.000 1.187) 5.876 6.903 ( -5.632 0.000 6.729) 8.775 6.931 ( 0.166 0.000 -5.478) 5.480 6.973 ( -1.241 0.000 0.263) 1.268 6.978 ( 8.019 0.000 5.258) 9.589 7.303 ( -1.098 0.000 -2.153) 2.416 7.634 ( 19.513 0.000 3.201) 19.773 7.822 ( -3.082 0.000 -7.275) 7.901 7.995 ( -1.172 0.000 -2.209) 2.501 8.020 ( -1.184 0.000 -3.299) 3.505 8.194 ( 3.560 0.000 3.071) 4.701 8.279 ( -0.581 0.000 -0.851) 1.030 9.394 ( -1.811 0.000 3.780) 4.192 9.586 ( 0.630 0.000 -5.909) 5.942 9.612 ( 3.027 0.000 1.662) 3.453 9.784 ( 0.896 0.000 -4.047) 4.145 9.883 ( 1.555 0.000 7.880) 8.032 9.952 ( -4.632 0.000 5.866) 7.474 10.154 ( 0.765 0.000 -1.333) 1.537 10.188 ( -0.075 0.000 -3.329) 3.330 10.295 ( -3.558 0.000 -0.330) 3.573 10.301 ( 2.249 0.000 -0.666) 2.346 10.779 ( -0.845 0.000 1.646) 1.851 10.882 ( -0.171 0.000 -2.544) 2.550 12.258 ( -0.555 0.000 0.225) 0.599 12.277 ( 2.286 0.000 -0.580) 2.359 12.648 ( 0.755 0.000 0.878) 1.158 12.681 ( -0.570 0.000 -0.500) 0.758 13.978 ( -1.092 0.000 1.391) 1.768 14.060 ( 2.586 0.000 -2.372) 3.509 14.151 ( -2.900 0.000 1.531) 3.280 14.192 ( 1.690 0.000 -0.527) 1.770 14.952 ( 2.009 0.000 0.821) 2.170 14.997 ( -1.418 0.000 -0.868) 1.663 15.119 ( -2.109 0.000 2.533) 3.296 15.257 ( 0.562 0.000 -3.982) 4.021 15.289 ( -0.050 0.000 1.553) 1.554 15.356 ( -3.728 0.000 -0.528) 3.766 15.566 ( 8.198 0.000 0.690) 8.227 15.596 ( -1.219 0.000 -0.596) 1.356 15.705 ( 2.531 0.000 3.732) 4.510 15.834 ( -1.292 0.000 -1.569) 2.032 16.171 ( -20.244 0.000 0.743) 20.258 16.261 ( 3.535 0.000 -2.982) 4.625 16.430 ( 8.137 0.000 0.603) 8.159 16.442 ( -3.231 0.000 0.163) 3.235 16.617 ( -1.567 0.000 0.257) 1.588 16.640 ( 1.702 0.000 -0.740) 1.856 17.390 ( -1.384 0.000 1.458) 2.010 17.494 ( 1.366 0.000 -2.973) 3.272 17.727 ( -0.348 0.000 0.948) 1.010 17.733 ( -3.162 0.000 0.460) 3.195 21.430 ( -1.013 0.000 1.723) 1.999 21.511 ( 4.165 0.000 -1.607) 4.464 21.835 ( 1.011 0.000 0.229) 1.037 21.845 ( -0.993 0.000 -0.168) 1.007 27.374 ( 0.739 0.000 3.746) 3.818 27.536 ( -0.762 0.000 -2.388) 2.506 27.823 ( 1.022 0.000 -0.331) 1.074 27.834 ( -0.297 0.000 -1.285) 1.319 28.712 ( 0.071 0.000 0.603) 0.607 28.764 ( 0.116 0.000 -1.812) 1.816 28.990 ( -0.936 0.000 2.719) 2.876 29.106 ( 2.847 0.000 -2.377) 3.709 29.891 ( -0.040 0.000 3.032) 3.032 30.029 ( 5.401 0.000 -2.611) 5.999 30.276 ( -0.757 0.000 2.276) 2.399 30.351 ( 0.183 0.000 -0.563) 0.592 30.423 ( 0.667 0.000 -0.136) 0.681 30.437 ( 0.266 0.000 -0.956) 0.992 31.073 ( -42.433 0.000 0.663) 42.438 31.103 ( 7.828 0.000 -0.557) 7.848 31.431 ( -0.065 0.000 0.294) 0.301 31.465 ( 0.365 0.000 -0.867) 0.941 31.603 ( -0.294 0.000 3.154) 3.168 31.793 ( 9.444 0.000 -6.082) 11.233 32.139 ( 8.836 0.000 7.389) 11.518 32.386 ( -2.427 0.000 -3.952) 4.638 32.953 ( 0.572 0.000 0.031) 0.573 32.955 ( -0.833 0.000 -0.009) 0.833 33.484 ( 25.478 0.000 1.069) 25.501 33.538 ( -4.494 0.000 -1.143) 4.637 33.918 ( 1.834 0.000 1.429) 2.325 33.983 ( -12.630 0.000 -1.221) 12.689 ======================= Grid point 78 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 14.100 0.000 20.160) 24.601 1.020 ( 12.377 0.000 25.831) 28.643 1.304 ( 7.626 0.000 -15.931) 17.662 1.448 ( -1.490 0.000 -22.482) 22.532 1.559 ( 30.929 0.000 27.252) 41.223 1.836 ( 5.836 0.000 2.580) 6.381 1.885 ( 1.118 0.000 -5.019) 5.141 2.110 ( 12.648 0.000 -7.724) 14.819 2.138 ( 3.928 0.000 3.502) 5.263 2.324 ( 1.057 0.000 8.172) 8.240 2.398 ( 12.737 0.000 -12.595) 17.913 2.543 ( 4.972 0.000 2.507) 5.568 2.577 ( 4.150 0.000 3.696) 5.557 2.696 ( 7.760 0.000 -14.453) 16.404 2.751 ( 2.707 0.000 4.045) 4.867 2.892 ( 3.259 0.000 10.381) 10.880 2.911 ( 0.096 0.000 -5.766) 5.767 2.942 ( -1.971 0.000 -2.078) 2.864 3.027 ( -0.454 0.000 -7.719) 7.732 3.164 ( -1.245 0.000 3.924) 4.117 3.414 ( 5.360 0.000 0.763) 5.414 3.432 ( 2.197 0.000 -1.236) 2.521 3.531 ( -1.885 0.000 2.434) 3.078 3.754 ( 2.775 0.000 -1.441) 3.127 3.838 ( -0.472 0.000 2.176) 2.226 3.841 ( -2.346 0.000 -10.818) 11.070 3.886 ( -7.804 0.000 3.869) 8.710 3.978 ( 1.561 0.000 2.518) 2.962 4.055 ( 0.139 0.000 -0.903) 0.913 4.197 ( -2.790 0.000 -2.131) 3.511 4.241 ( -2.996 0.000 4.809) 5.665 4.337 ( 2.692 0.000 -5.199) 5.854 4.376 ( 2.719 0.000 -3.767) 4.645 4.426 ( -1.246 0.000 -1.856) 2.235 4.544 ( 7.246 0.000 3.506) 8.050 4.760 ( -9.702 0.000 7.733) 12.407 4.888 ( -6.496 0.000 1.756) 6.729 4.923 ( 5.514 0.000 -7.163) 9.039 4.994 ( -8.443 0.000 6.861) 10.879 5.104 ( 0.613 0.000 -5.498) 5.532 5.357 ( -1.614 0.000 -1.615) 2.283 5.358 ( 1.860 0.000 0.168) 1.868 5.507 ( 0.918 0.000 0.693) 1.150 5.587 ( 17.506 0.000 -8.550) 19.482 5.729 ( 0.384 0.000 5.257) 5.271 5.938 ( 2.171 0.000 -7.980) 8.270 6.027 ( 0.415 0.000 17.303) 17.308 6.238 ( -0.578 0.000 -6.677) 6.702 6.707 ( -1.715 0.000 6.009) 6.249 6.868 ( -2.590 0.000 -3.274) 4.174 6.872 ( -3.287 0.000 4.933) 5.928 6.919 ( -2.481 0.000 -1.965) 3.165 7.199 ( 7.330 0.000 8.827) 11.473 7.265 ( 0.670 0.000 -5.731) 5.770 7.689 ( -5.193 0.000 -7.548) 9.161 7.756 ( -0.123 0.000 -0.809) 0.818 7.999 ( 1.105 0.000 -1.742) 2.063 8.015 ( 1.817 0.000 -4.706) 5.044 8.242 ( -2.092 0.000 -2.460) 3.230 8.264 ( 1.609 0.000 1.346) 2.098 9.398 ( -0.548 0.000 2.762) 2.816 9.539 ( -1.450 0.000 -4.184) 4.428 9.712 ( 4.652 0.000 4.742) 6.643 9.748 ( 0.724 0.000 -6.700) 6.739 9.940 ( -2.525 0.000 5.981) 6.492 9.972 ( 1.652 0.000 5.645) 5.882 10.147 ( -0.597 0.000 -7.934) 7.956 10.154 ( -0.214 0.000 1.643) 1.657 10.252 ( -0.102 0.000 0.262) 0.281 10.341 ( 1.582 0.000 0.350) 1.620 10.779 ( -0.708 0.000 2.090) 2.207 10.868 ( 0.540 0.000 -2.201) 2.266 12.276 ( 2.518 0.000 -0.236) 2.529 12.330 ( 3.885 0.000 -2.098) 4.415 12.657 ( -1.347 0.000 -0.755) 1.544 12.672 ( 0.814 0.000 0.781) 1.128 13.940 ( -3.490 0.000 0.903) 3.605 14.038 ( -2.313 0.000 -1.873) 2.976 14.107 ( -2.878 0.000 1.377) 3.190 14.222 ( 1.528 0.000 0.389) 1.577 14.933 ( -4.849 0.000 -1.094) 4.971 14.958 ( -2.891 0.000 2.585) 3.878 15.080 ( -10.628 0.000 6.024) 12.216 15.085 ( -2.151 0.000 0.517) 2.212 15.300 ( -0.431 0.000 2.130) 2.174 15.352 ( 1.303 0.000 -0.790) 1.524 15.574 ( -0.664 0.000 -3.175) 3.244 15.647 ( 3.694 0.000 0.504) 3.728 15.801 ( 0.059 0.000 -2.261) 2.262 15.807 ( 0.422 0.000 8.351) 8.362 15.871 ( -7.468 0.000 3.951) 8.448 16.185 ( -6.796 0.000 -4.547) 8.177 16.507 ( 7.340 0.000 3.377) 8.080 16.572 ( -2.568 0.000 0.019) 2.568 16.664 ( 9.515 0.000 -5.262) 10.873 16.668 ( 1.463 0.000 -0.425) 1.524 17.389 ( 0.199 0.000 0.830) 0.854 17.487 ( 0.085 0.000 -2.324) 2.326 17.696 ( -2.523 0.000 1.689) 3.036 17.712 ( -2.017 0.000 0.997) 2.250 21.422 ( -0.951 0.000 0.810) 1.250 21.508 ( -1.072 0.000 0.368) 1.134 21.794 ( -3.269 0.000 -1.129) 3.459 21.833 ( -1.509 0.000 0.519) 1.595 27.399 ( -1.659 0.000 4.664) 4.951 27.465 ( -4.120 0.000 -3.751) 5.571 27.680 ( -11.536 0.000 6.867) 13.425 27.743 ( -7.884 0.000 -2.787) 8.362 28.726 ( 0.760 0.000 0.802) 1.105 28.753 ( 0.241 0.000 -1.690) 1.707 28.967 ( -3.153 0.000 1.322) 3.419 29.002 ( -7.682 0.000 2.838) 8.190 29.886 ( -2.333 0.000 1.548) 2.800 29.898 ( -7.618 0.000 2.845) 8.132 30.285 ( -0.892 0.000 1.631) 1.859 30.313 ( -3.777 0.000 -0.208) 3.783 30.399 ( -1.054 0.000 0.163) 1.067 30.470 ( 4.839 0.000 -0.813) 4.907 30.911 ( 6.423 0.000 4.075) 7.606 31.364 ( 12.307 0.000 3.155) 12.705 31.446 ( 1.027 0.000 -0.298) 1.070 31.481 ( 2.270 0.000 -1.057) 2.504 31.673 ( 7.968 0.000 7.194) 10.735 31.781 ( -1.623 0.000 -8.197) 8.356 32.306 ( -1.383 0.000 -6.759) 6.899 32.359 ( 7.440 0.000 3.158) 8.083 32.953 ( 0.902 0.000 -0.109) 0.909 32.976 ( 1.738 0.000 0.746) 1.891 33.432 ( -4.166 0.000 -4.918) 6.446 33.854 ( -4.834 0.000 2.242) 5.329 33.903 ( 20.073 0.000 -16.134) 25.753 33.974 ( 2.054 0.000 5.106) 5.503 ======================= Grid point 79 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 9.382 0.000 -6.773) 11.571 1.331 ( 12.309 0.000 -10.298) 16.049 1.352 ( 10.510 0.000 5.575) 11.898 1.451 ( 11.429 0.000 15.679) 19.402 1.847 ( 2.282 0.000 -5.897) 6.323 1.910 ( 1.760 0.000 -0.626) 1.868 2.202 ( 8.053 0.000 6.024) 10.057 2.275 ( 4.238 0.000 -5.381) 6.850 2.314 ( 12.358 0.000 11.741) 17.046 2.416 ( 8.605 0.000 1.572) 8.748 2.559 ( 14.912 0.000 -11.124) 18.604 2.680 ( 3.466 0.000 7.387) 8.160 2.708 ( 7.822 0.000 -8.025) 11.206 2.750 ( 10.838 0.000 -12.393) 16.463 2.831 ( -1.037 0.000 4.829) 4.939 2.853 ( 5.182 0.000 3.973) 6.530 2.949 ( 4.977 0.000 -6.583) 8.253 3.041 ( 4.103 0.000 10.195) 10.990 3.108 ( 12.324 0.000 -6.673) 14.015 3.202 ( 2.154 0.000 6.917) 7.245 3.490 ( 3.351 0.000 1.694) 3.755 3.515 ( 1.978 0.000 4.720) 5.118 3.593 ( 9.415 0.000 -2.751) 9.808 3.707 ( -1.357 0.000 -11.518) 11.598 3.726 ( -4.054 0.000 -8.692) 9.591 3.811 ( -0.405 0.000 3.369) 3.393 3.821 ( -4.524 0.000 4.842) 6.627 4.029 ( 1.746 0.000 1.085) 2.056 4.030 ( -3.205 0.000 1.700) 3.628 4.114 ( -2.343 0.000 -3.881) 4.533 4.187 ( -4.768 0.000 2.257) 5.275 4.360 ( 3.714 0.000 -2.111) 4.272 4.418 ( 0.752 0.000 -0.415) 0.859 4.447 ( 6.506 0.000 -4.674) 8.010 4.610 ( -2.816 0.000 0.332) 2.835 4.638 ( -6.454 0.000 4.116) 7.655 4.846 ( 0.437 0.000 4.668) 4.688 4.932 ( 1.636 0.000 -4.475) 4.764 4.991 ( -0.897 0.000 7.255) 7.311 5.123 ( 5.109 0.000 -2.869) 5.860 5.301 ( -1.642 0.000 -2.712) 3.171 5.358 ( -2.556 0.000 1.549) 2.989 5.545 ( 2.052 0.000 -0.300) 2.074 5.703 ( -6.697 0.000 6.429) 9.284 5.730 ( 5.254 0.000 -4.956) 7.222 5.924 ( 1.504 0.000 -4.603) 4.842 6.163 ( 0.256 0.000 12.242) 12.245 6.222 ( 5.980 0.000 -11.495) 12.957 6.731 ( -1.424 0.000 4.933) 5.135 6.828 ( -0.204 0.000 0.221) 0.300 6.861 ( -1.032 0.000 2.717) 2.906 6.912 ( 1.981 0.000 3.894) 4.369 7.232 ( 0.754 0.000 -7.351) 7.389 7.332 ( 1.697 0.000 3.468) 3.861 7.544 ( -2.868 0.000 -8.150) 8.640 7.770 ( -0.614 0.000 7.454) 7.479 7.960 ( -3.204 0.000 -3.919) 5.062 8.017 ( 0.721 0.000 0.611) 0.945 8.178 ( -1.976 0.000 -3.097) 3.674 8.267 ( -1.556 0.000 -0.240) 1.574 9.415 ( 0.354 0.000 2.044) 2.075 9.485 ( -1.325 0.000 -1.494) 1.997 9.729 ( 2.681 0.000 -6.608) 7.132 9.831 ( 4.017 0.000 4.065) 5.715 9.927 ( -3.376 0.000 4.281) 5.452 10.005 ( -0.140 0.000 -0.398) 0.422 10.052 ( -2.230 0.000 -8.394) 8.685 10.186 ( 0.427 0.000 5.007) 5.025 10.278 ( 2.131 0.000 -0.382) 2.165 10.353 ( -0.645 0.000 1.070) 1.250 10.786 ( -0.412 0.000 2.614) 2.647 10.864 ( 0.644 0.000 -1.823) 1.934 12.339 ( 4.213 0.000 -0.484) 4.241 12.390 ( 3.991 0.000 -0.987) 4.111 12.630 ( -1.140 0.000 0.254) 1.168 12.681 ( -0.130 0.000 -0.346) 0.370 13.885 ( -2.767 0.000 0.934) 2.920 13.972 ( -2.539 0.000 -2.405) 3.497 14.072 ( -2.286 0.000 1.946) 3.002 14.254 ( 1.459 0.000 0.818) 1.673 14.836 ( -4.397 0.000 0.282) 4.406 14.903 ( -4.246 0.000 1.767) 4.599 14.994 ( -3.974 0.000 2.639) 4.771 15.051 ( -1.759 0.000 -0.530) 1.837 15.309 ( -0.209 0.000 1.931) 1.942 15.372 ( 1.398 0.000 -0.421) 1.460 15.509 ( -2.034 0.000 -6.211) 6.536 15.706 ( -1.228 0.000 4.058) 4.239 15.791 ( -0.903 0.000 4.008) 4.108 15.805 ( 1.391 0.000 -1.431) 1.996 15.915 ( 3.327 0.000 2.719) 4.297 16.043 ( -3.866 0.000 -4.259) 5.751 16.529 ( -1.654 0.000 0.046) 1.654 16.641 ( 1.711 0.000 1.905) 2.560 16.710 ( 4.210 0.000 2.699) 5.001 16.735 ( 2.685 0.000 -3.684) 4.559 17.402 ( 0.567 0.000 0.318) 0.650 17.461 ( -1.185 0.000 -1.903) 2.242 17.656 ( -3.124 0.000 1.364) 3.409 17.673 ( -3.029 0.000 1.084) 3.217 21.412 ( 0.107 0.000 -0.606) 0.615 21.505 ( 0.070 0.000 1.068) 1.070 21.721 ( -3.298 0.000 -1.819) 3.766 21.796 ( -2.738 0.000 0.533) 2.789 27.345 ( -5.342 0.000 -3.573) 6.427 27.384 ( -3.509 0.000 3.924) 5.264 27.531 ( -10.102 0.000 -5.845) 11.671 27.557 ( -7.816 0.000 6.186) 9.968 28.748 ( 0.435 0.000 -1.149) 1.229 28.749 ( 0.955 0.000 0.704) 1.187 28.907 ( -3.232 0.000 -0.920) 3.360 28.911 ( -4.871 0.000 2.679) 5.560 29.837 ( -1.811 0.000 1.312) 2.236 29.854 ( -0.942 0.000 -0.542) 1.087 30.227 ( -5.319 0.000 0.361) 5.331 30.229 ( -5.011 0.000 -0.691) 5.058 30.448 ( 5.167 0.000 1.325) 5.334 30.590 ( 7.918 0.000 -0.154) 7.920 31.098 ( 8.398 0.000 5.429) 10.000 31.403 ( -0.771 0.000 -5.164) 5.221 31.516 ( 2.051 0.000 -2.082) 2.923 31.526 ( 4.677 0.000 1.991) 5.083 31.693 ( -1.154 0.000 -5.017) 5.148 32.019 ( 15.120 0.000 11.153) 18.788 32.236 ( -0.965 0.000 -5.876) 5.954 32.473 ( 3.185 0.000 1.871) 3.694 32.997 ( 3.220 0.000 2.286) 3.949 33.039 ( 4.269 0.000 1.383) 4.487 33.319 ( -3.544 0.000 -5.374) 6.437 33.777 ( -5.064 0.000 0.732) 5.117 34.046 ( 9.855 0.000 -13.464) 16.685 34.073 ( 2.312 0.000 8.582) 8.888 ======================= Grid point 80 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 15.807 0.000 -3.455) 16.180 1.466 ( 10.127 0.000 -7.092) 12.364 1.688 ( 12.671 0.000 11.692) 17.241 1.777 ( 8.838 0.000 12.375) 15.207 1.896 ( 5.349 0.000 -1.595) 5.581 1.906 ( 3.339 0.000 -4.600) 5.684 2.258 ( 0.508 0.000 -2.837) 2.882 2.273 ( 2.508 0.000 -5.157) 5.734 2.413 ( -0.509 0.000 8.622) 8.637 2.617 ( 4.697 0.000 2.190) 5.182 2.669 ( 7.149 0.000 -10.135) 12.402 2.737 ( 3.116 0.000 -7.394) 8.024 2.766 ( -2.510 0.000 7.578) 7.983 2.821 ( 2.884 0.000 -2.218) 3.638 2.886 ( 0.872 0.000 5.882) 5.946 2.977 ( 0.915 0.000 -4.817) 4.903 2.992 ( 5.220 0.000 3.487) 6.278 3.107 ( -2.437 0.000 4.567) 5.176 3.330 ( 13.227 0.000 -3.693) 13.733 3.445 ( 11.155 0.000 7.658) 13.531 3.482 ( -2.346 0.000 -10.351) 10.613 3.570 ( -2.496 0.000 -8.772) 9.120 3.590 ( -11.240 0.000 3.612) 11.806 3.634 ( 7.298 0.000 4.354) 8.498 3.720 ( 2.583 0.000 1.092) 2.805 3.838 ( 3.712 0.000 -1.536) 4.017 3.846 ( 5.893 0.000 -6.455) 8.740 4.018 ( -0.957 0.000 1.018) 1.397 4.024 ( 1.125 0.000 -3.088) 3.287 4.052 ( 1.371 0.000 3.961) 4.192 4.200 ( 6.233 0.000 -0.785) 6.282 4.425 ( -1.639 0.000 2.436) 2.936 4.428 ( 4.136 0.000 -1.512) 4.404 4.510 ( 4.122 0.000 -4.209) 5.891 4.543 ( -3.015 0.000 1.089) 3.206 4.623 ( 2.089 0.000 0.718) 2.209 4.899 ( -0.171 0.000 5.820) 5.823 4.959 ( 2.271 0.000 0.787) 2.403 5.011 ( 0.193 0.000 2.093) 2.101 5.236 ( 8.645 0.000 -1.922) 8.856 5.278 ( 1.308 0.000 -2.131) 2.501 5.309 ( -2.628 0.000 -0.208) 2.636 5.531 ( -1.492 0.000 -3.046) 3.392 5.684 ( -1.109 0.000 8.792) 8.862 5.746 ( -0.055 0.000 -1.800) 1.801 5.935 ( 3.597 0.000 -3.978) 5.363 6.194 ( -4.953 0.000 7.313) 8.832 6.249 ( 5.804 0.000 -12.524) 13.803 6.716 ( -3.153 0.000 3.632) 4.810 6.862 ( 2.754 0.000 2.319) 3.600 6.872 ( 0.059 0.000 1.876) 1.877 7.006 ( 0.212 0.000 9.185) 9.188 7.181 ( 0.718 0.000 -7.898) 7.930 7.348 ( 0.401 0.000 -1.768) 1.813 7.481 ( 1.990 0.000 -6.188) 6.500 7.785 ( -6.471 0.000 8.091) 10.360 7.900 ( 0.210 0.000 -0.354) 0.412 8.015 ( -1.853 0.000 0.509) 1.921 8.133 ( -0.873 0.000 -1.510) 1.744 8.218 ( -2.848 0.000 -0.423) 2.879 9.441 ( 0.902 0.000 1.463) 1.719 9.485 ( 1.190 0.000 2.040) 2.362 9.731 ( 2.734 0.000 -7.020) 7.534 9.893 ( -3.383 0.000 4.640) 5.742 9.904 ( 1.901 0.000 0.289) 1.923 9.952 ( -2.129 0.000 -6.414) 6.758 9.983 ( -1.260 0.000 -0.629) 1.408 10.213 ( -0.101 0.000 0.449) 0.461 10.308 ( 1.628 0.000 -1.081) 1.954 10.353 ( -0.902 0.000 3.073) 3.203 10.803 ( -0.013 0.000 2.593) 2.593 10.863 ( 0.581 0.000 -1.466) 1.577 12.411 ( 3.868 0.000 -0.754) 3.941 12.462 ( 4.020 0.000 0.271) 4.029 12.621 ( -0.809 0.000 1.824) 1.995 12.662 ( -1.114 0.000 -1.487) 1.858 13.859 ( -1.248 0.000 1.385) 1.865 13.920 ( -0.823 0.000 -2.754) 2.875 14.052 ( -1.899 0.000 2.743) 3.337 14.285 ( 1.275 0.000 0.371) 1.328 14.784 ( -1.530 0.000 0.212) 1.544 14.845 ( -2.368 0.000 -0.471) 2.415 14.948 ( -2.551 0.000 0.540) 2.608 15.006 ( -2.598 0.000 -0.567) 2.659 15.319 ( -0.216 0.000 1.105) 1.126 15.398 ( 1.640 0.000 -0.277) 1.663 15.433 ( -0.767 0.000 -4.711) 4.773 15.659 ( -5.525 0.000 3.556) 6.570 15.819 ( 1.028 0.000 -0.800) 1.302 15.852 ( 3.412 0.000 0.994) 3.554 15.982 ( 1.518 0.000 2.640) 3.046 15.986 ( -0.158 0.000 -1.909) 1.916 16.525 ( 0.918 0.000 1.031) 1.380 16.638 ( -0.684 0.000 -1.319) 1.486 16.726 ( -0.672 0.000 -2.599) 2.684 16.811 ( 2.664 0.000 3.576) 4.459 17.412 ( 0.344 0.000 0.003) 0.344 17.420 ( -1.462 0.000 -1.739) 2.272 17.607 ( -2.988 0.000 0.982) 3.145 17.623 ( -3.092 0.000 0.912) 3.223 21.427 ( 2.270 0.000 -0.835) 2.419 21.522 ( 0.817 0.000 0.807) 1.148 21.652 ( -2.673 0.000 -1.503) 3.067 21.742 ( -3.655 0.000 0.591) 3.703 27.231 ( -4.221 0.000 -2.029) 4.683 27.331 ( -6.420 0.000 -4.987) 8.129 27.339 ( -3.677 0.000 2.139) 4.254 27.472 ( -5.888 0.000 3.642) 6.924 28.752 ( 0.642 0.000 -0.509) 0.819 28.767 ( 0.592 0.000 0.182) 0.619 28.845 ( -2.206 0.000 -1.567) 2.706 28.857 ( -3.128 0.000 2.026) 3.727 29.834 ( 0.537 0.000 0.547) 0.767 29.851 ( 1.184 0.000 -0.906) 1.490 30.122 ( -5.398 0.000 -1.080) 5.505 30.131 ( -5.452 0.000 0.837) 5.516 30.578 ( 7.092 0.000 1.797) 7.316 30.735 ( 7.630 0.000 -0.711) 7.664 31.246 ( 0.547 0.000 6.556) 6.579 31.361 ( 0.686 0.000 -4.270) 4.325 31.528 ( 3.089 0.000 -1.939) 3.647 31.632 ( 5.236 0.000 2.286) 5.714 31.688 ( 2.817 0.000 -1.877) 3.385 32.115 ( -3.263 0.000 -7.790) 8.446 32.327 ( 7.507 0.000 5.553) 9.337 32.512 ( 0.430 0.000 0.139) 0.452 33.108 ( 4.753 0.000 6.647) 8.171 33.145 ( 5.706 0.000 1.112) 5.814 33.232 ( -2.078 0.000 -3.419) 4.001 33.679 ( -5.408 0.000 -0.397) 5.422 34.103 ( 6.718 0.000 -9.881) 11.948 34.162 ( 0.129 0.000 7.419) 7.420 ======================= Grid point 81 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.449 0.000 -1.219) 6.563 1.649 ( 10.848 0.000 0.363) 10.854 1.830 ( -0.680 0.000 1.057) 1.257 1.902 ( 1.398 0.000 5.380) 5.558 2.032 ( 8.431 0.000 5.358) 9.990 2.093 ( 8.549 0.000 0.589) 8.569 2.265 ( 5.055 0.000 0.348) 5.067 2.332 ( 7.676 0.000 -3.374) 8.384 2.484 ( 1.590 0.000 5.828) 6.041 2.652 ( -2.371 0.000 2.976) 3.805 2.657 ( -4.547 0.000 -6.948) 8.304 2.692 ( -0.937 0.000 -2.866) 3.016 2.730 ( -5.223 0.000 3.553) 6.317 2.824 ( 0.282 0.000 2.976) 2.989 2.938 ( 1.216 0.000 0.422) 1.287 3.010 ( -7.865 0.000 3.705) 8.694 3.059 ( 11.955 0.000 -2.918) 12.306 3.141 ( 5.086 0.000 0.006) 5.086 3.331 ( -4.184 0.000 -6.753) 7.944 3.382 ( -11.694 0.000 4.805) 12.643 3.417 ( 0.763 0.000 -6.727) 6.770 3.565 ( 3.614 0.000 -0.848) 3.712 3.586 ( 2.212 0.000 0.055) 2.213 3.633 ( -4.329 0.000 -2.722) 5.113 3.689 ( -3.481 0.000 -0.083) 3.482 3.789 ( -4.766 0.000 -2.605) 5.431 3.940 ( 2.367 0.000 4.792) 5.344 4.077 ( 5.532 0.000 0.757) 5.583 4.108 ( 8.090 0.000 -3.388) 8.770 4.254 ( 9.593 0.000 3.290) 10.141 4.329 ( 7.195 0.000 -1.671) 7.387 4.385 ( -3.974 0.000 3.483) 5.285 4.447 ( 0.079 0.000 -2.974) 2.975 4.523 ( -1.190 0.000 1.125) 1.638 4.557 ( 4.574 0.000 -4.796) 6.628 4.673 ( 3.271 0.000 -2.789) 4.299 4.933 ( -0.767 0.000 5.203) 5.259 4.962 ( -1.812 0.000 3.038) 3.537 5.088 ( 4.006 0.000 -0.011) 4.006 5.287 ( 2.085 0.000 -3.612) 4.170 5.322 ( 5.689 0.000 -1.372) 5.852 5.410 ( 11.872 0.000 -1.093) 11.922 5.486 ( -0.963 0.000 -3.305) 3.442 5.717 ( -2.810 0.000 0.777) 2.915 5.750 ( -0.091 0.000 9.064) 9.064 5.977 ( 2.503 0.000 -2.431) 3.489 6.095 ( -11.804 0.000 7.131) 13.791 6.230 ( 4.240 0.000 -12.671) 13.362 6.704 ( -0.933 0.000 3.889) 3.999 6.890 ( 0.070 0.000 2.776) 2.777 6.942 ( 2.371 0.000 3.317) 4.078 7.012 ( -3.525 0.000 1.638) 3.887 7.162 ( 2.246 0.000 -3.861) 4.467 7.336 ( 0.945 0.000 -4.931) 5.021 7.511 ( 4.028 0.000 -1.686) 4.366 7.704 ( -5.301 0.000 2.325) 5.789 7.907 ( -1.973 0.000 3.377) 3.911 7.957 ( -3.342 0.000 -1.209) 3.554 8.123 ( 0.110 0.000 0.358) 0.374 8.179 ( -1.305 0.000 0.508) 1.401 9.470 ( 1.044 0.000 1.384) 1.733 9.548 ( 1.980 0.000 4.651) 5.055 9.707 ( 0.223 0.000 -5.373) 5.378 9.876 ( -0.884 0.000 -3.043) 3.169 9.908 ( 0.624 0.000 -4.137) 4.184 9.910 ( 0.347 0.000 5.044) 5.056 9.963 ( -1.426 0.000 1.524) 2.087 10.203 ( -0.132 0.000 -1.605) 1.610 10.319 ( 0.853 0.000 -1.822) 2.011 10.347 ( -1.816 0.000 0.506) 1.886 10.819 ( -0.345 0.000 1.826) 1.858 10.863 ( 0.583 0.000 -1.219) 1.351 12.467 ( 2.897 0.000 -0.688) 2.978 12.534 ( 2.848 0.000 0.882) 2.981 12.620 ( -1.368 0.000 2.407) 2.768 12.625 ( -1.010 0.000 -1.860) 2.116 13.852 ( -0.818 0.000 1.314) 1.548 13.900 ( 0.843 0.000 -2.590) 2.724 14.046 ( -1.514 0.000 3.878) 4.163 14.296 ( 0.290 0.000 -1.664) 1.689 14.777 ( 0.044 0.000 0.656) 0.658 14.815 ( -0.116 0.000 -1.191) 1.196 14.910 ( -1.319 0.000 -0.526) 1.420 14.953 ( -2.450 0.000 -0.651) 2.535 15.316 ( -0.149 0.000 0.180) 0.233 15.422 ( 1.253 0.000 -0.282) 1.285 15.423 ( 1.263 0.000 -0.718) 1.453 15.578 ( -4.939 0.000 1.250) 5.095 15.833 ( 0.771 0.000 0.179) 0.792 15.902 ( 1.370 0.000 0.033) 1.370 15.988 ( 0.925 0.000 -0.521) 1.061 16.011 ( 0.333 0.000 0.894) 0.954 16.571 ( 2.164 0.000 1.674) 2.736 16.616 ( -0.260 0.000 -1.648) 1.668 16.686 ( -1.481 0.000 -0.659) 1.621 16.853 ( 0.086 0.000 0.857) 0.861 17.390 ( -0.517 0.000 -0.803) 0.955 17.415 ( 0.127 0.000 -0.215) 0.250 17.566 ( -1.979 0.000 0.512) 2.044 17.579 ( -2.120 0.000 0.416) 2.160 21.480 ( 3.781 0.000 -0.345) 3.797 21.545 ( 0.820 0.000 0.952) 1.256 21.602 ( -1.472 0.000 -1.271) 1.945 21.671 ( -4.366 0.000 0.331) 4.378 27.169 ( -1.661 0.000 0.122) 1.665 27.229 ( -1.855 0.000 -1.513) 2.394 27.288 ( -2.594 0.000 0.121) 2.597 27.394 ( -4.329 0.000 0.758) 4.395 28.762 ( 0.590 0.000 -0.227) 0.632 28.771 ( 0.013 0.000 -0.485) 0.485 28.807 ( -0.800 0.000 -0.820) 1.146 28.826 ( -1.820 0.000 1.511) 2.366 29.859 ( 1.521 0.000 0.565) 1.623 29.879 ( 2.497 0.000 -0.909) 2.658 30.028 ( -3.745 0.000 -0.713) 3.812 30.043 ( -4.846 0.000 0.891) 4.927 30.716 ( 5.775 0.000 1.784) 6.044 30.842 ( 4.775 0.000 -1.783) 5.097 31.219 ( -5.447 0.000 3.831) 6.659 31.359 ( 1.554 0.000 -2.787) 3.191 31.620 ( 4.408 0.000 3.106) 5.393 31.733 ( 2.524 0.000 -0.254) 2.536 31.747 ( 4.581 0.000 1.972) 4.987 31.979 ( -3.633 0.000 -6.370) 7.333 32.430 ( 2.138 0.000 -1.144) 2.425 32.502 ( -0.589 0.000 -1.664) 1.765 33.185 ( -1.791 0.000 0.050) 1.792 33.242 ( 4.013 0.000 -0.853) 4.103 33.252 ( 4.323 0.000 7.644) 8.782 33.588 ( -3.778 0.000 -0.073) 3.779 34.152 ( 5.569 0.000 -6.413) 8.494 34.184 ( -2.304 0.000 3.600) 4.274 ======================= Grid point 82 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.260 0.000 1.641) 2.793 1.733 ( -0.360 0.000 -2.873) 2.895 1.866 ( 2.165 0.000 4.332) 4.843 1.883 ( -5.920 0.000 2.374) 6.379 2.152 ( -1.649 0.000 4.443) 4.739 2.161 ( 1.932 0.000 0.204) 1.942 2.401 ( -0.016 0.000 6.761) 6.761 2.472 ( 4.202 0.000 1.297) 4.397 2.537 ( -0.770 0.000 -2.973) 3.072 2.542 ( 0.385 0.000 0.391) 0.549 2.616 ( -2.229 0.000 -0.029) 2.229 2.652 ( -3.542 0.000 0.500) 3.578 2.662 ( 1.902 0.000 0.461) 1.957 2.835 ( -8.753 0.000 1.928) 8.963 2.839 ( -0.550 0.000 -2.668) 2.724 2.999 ( 6.384 0.000 -1.439) 6.544 3.198 ( -0.200 0.000 0.384) 0.433 3.199 ( 1.904 0.000 0.428) 1.951 3.283 ( -3.145 0.000 2.524) 4.033 3.336 ( -3.341 0.000 -5.663) 6.575 3.370 ( 10.936 0.000 2.779) 11.284 3.519 ( -5.732 0.000 -6.309) 8.524 3.553 ( 3.429 0.000 -1.216) 3.638 3.640 ( 2.797 0.000 -4.662) 5.437 3.692 ( 4.702 0.000 0.944) 4.795 3.725 ( -1.961 0.000 0.816) 2.125 4.000 ( -1.416 0.000 8.236) 8.357 4.156 ( 1.642 0.000 0.152) 1.649 4.177 ( 1.330 0.000 -1.238) 1.817 4.292 ( -5.670 0.000 -0.877) 5.738 4.329 ( -2.676 0.000 3.630) 4.509 4.420 ( -1.184 0.000 -3.227) 3.438 4.453 ( 5.114 0.000 -1.227) 5.259 4.493 ( -2.826 0.000 1.681) 3.288 4.589 ( 3.893 0.000 -8.070) 8.959 4.680 ( 0.208 0.000 -3.811) 3.816 4.941 ( -2.341 0.000 3.809) 4.470 4.976 ( -0.043 0.000 4.450) 4.450 5.098 ( -1.709 0.000 0.812) 1.892 5.310 ( 3.236 0.000 -5.059) 6.006 5.423 ( -3.381 0.000 -3.937) 5.189 5.446 ( 6.251 0.000 -1.932) 6.542 5.609 ( -8.794 0.000 -0.893) 8.839 5.627 ( 9.721 0.000 -0.811) 9.755 5.806 ( -1.423 0.000 8.560) 8.678 5.896 ( -13.154 0.000 7.418) 15.101 5.990 ( 1.679 0.000 -1.530) 2.272 6.286 ( 10.485 0.000 -8.462) 13.474 6.729 ( -0.888 0.000 6.044) 6.109 6.921 ( 0.490 0.000 4.384) 4.411 6.926 ( -4.270 0.000 -2.866) 5.143 6.966 ( -2.031 0.000 1.407) 2.471 7.209 ( 4.361 0.000 -0.973) 4.468 7.296 ( -0.312 0.000 -7.620) 7.626 7.576 ( 2.356 0.000 1.553) 2.822 7.635 ( -3.503 0.000 0.467) 3.534 7.886 ( -1.515 0.000 1.442) 2.092 7.919 ( 1.096 0.000 -0.756) 1.332 8.139 ( 0.784 0.000 1.470) 1.666 8.169 ( -0.334 0.000 0.297) 0.447 9.498 ( 0.319 0.000 2.280) 2.302 9.574 ( -2.669 0.000 2.603) 3.728 9.701 ( 2.399 0.000 -2.334) 3.347 9.869 ( 1.103 0.000 2.382) 2.624 9.883 ( 0.600 0.000 -5.231) 5.265 9.944 ( -1.150 0.000 -0.103) 1.154 9.990 ( 3.159 0.000 5.688) 6.506 10.179 ( -1.259 0.000 -3.159) 3.401 10.299 ( -1.921 0.000 -1.950) 2.737 10.314 ( 0.396 0.000 -2.230) 2.265 10.816 ( -1.147 0.000 1.097) 1.587 10.866 ( 0.664 0.000 -0.978) 1.182 12.511 ( 2.338 0.000 0.053) 2.338 12.542 ( -1.749 0.000 -0.946) 1.988 12.599 ( -2.794 0.000 1.768) 3.306 12.634 ( 2.384 0.000 0.149) 2.389 13.845 ( -0.852 0.000 0.876) 1.222 13.907 ( 1.781 0.000 -2.291) 2.902 14.057 ( -1.055 0.000 5.357) 5.460 14.270 ( -0.649 0.000 -3.837) 3.891 14.779 ( -0.808 0.000 0.805) 1.140 14.815 ( 0.388 0.000 -0.642) 0.750 14.903 ( 1.076 0.000 -0.479) 1.178 14.917 ( -0.309 0.000 -1.180) 1.220 15.330 ( 0.764 0.000 1.479) 1.665 15.418 ( -0.875 0.000 -2.013) 2.195 15.460 ( 2.080 0.000 1.965) 2.861 15.514 ( -1.993 0.000 -0.439) 2.041 15.848 ( 0.389 0.000 1.019) 1.091 15.902 ( -0.704 0.000 -1.090) 1.298 16.003 ( 0.765 0.000 0.245) 0.803 16.012 ( -0.560 0.000 -0.141) 0.578 16.579 ( -1.767 0.000 -0.247) 1.784 16.609 ( 0.786 0.000 -1.258) 1.483 16.709 ( 2.534 0.000 3.338) 4.191 16.831 ( -1.879 0.000 -1.770) 2.582 17.390 ( 0.711 0.000 0.202) 0.739 17.413 ( -0.016 0.000 -0.595) 0.595 17.547 ( -0.305 0.000 0.362) 0.473 17.557 ( -0.336 0.000 0.034) 0.338 21.541 ( -2.167 0.000 0.494) 2.223 21.544 ( 1.695 0.000 0.364) 1.733 21.601 ( -1.806 0.000 -0.441) 1.860 21.602 ( 2.484 0.000 -0.490) 2.532 27.170 ( 0.988 0.000 1.718) 1.982 27.238 ( 2.549 0.000 1.691) 3.059 27.249 ( -1.015 0.000 -1.477) 1.792 27.327 ( -2.325 0.000 -1.953) 3.037 28.764 ( 0.040 0.000 -0.443) 0.445 28.765 ( 0.028 0.000 -0.790) 0.791 28.808 ( -1.236 0.000 0.805) 1.475 28.809 ( 1.031 0.000 0.444) 1.123 29.879 ( -0.653 0.000 0.623) 0.902 29.919 ( 1.754 0.000 -1.136) 2.090 29.975 ( -2.128 0.000 0.731) 2.250 29.994 ( 1.167 0.000 -0.140) 1.175 30.784 ( -0.617 0.000 1.553) 1.671 30.875 ( 0.310 0.000 -2.164) 2.187 31.176 ( -1.546 0.000 4.044) 4.329 31.361 ( 1.151 0.000 -3.132) 3.336 31.694 ( 0.636 0.000 4.149) 4.197 31.747 ( -3.709 0.000 -2.094) 4.259 31.765 ( -0.061 0.000 1.571) 1.572 31.988 ( 6.763 0.000 -1.559) 6.940 32.404 ( -2.522 0.000 -3.225) 4.094 32.476 ( -0.139 0.000 -2.921) 2.925 33.156 ( -2.348 0.000 1.761) 2.935 33.259 ( -0.719 0.000 -2.693) 2.788 33.373 ( 2.170 0.000 8.075) 8.361 33.555 ( 0.154 0.000 -0.099) 0.183 34.136 ( -4.305 0.000 -0.060) 4.306 34.210 ( 4.681 0.000 -3.087) 5.607 ======================= Grid point 84 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -9.677 0.000 -4.230) 10.561 1.696 ( -1.752 0.000 1.359) 2.218 1.761 ( -7.887 0.000 3.877) 8.789 1.920 ( -3.138 0.000 6.949) 7.625 2.086 ( -5.667 0.000 1.653) 5.903 2.175 ( -3.365 0.000 2.273) 4.060 2.291 ( -12.061 0.000 1.690) 12.179 2.416 ( -2.944 0.000 -0.729) 3.033 2.434 ( -8.779 0.000 2.112) 9.030 2.558 ( -1.075 0.000 -2.949) 3.139 2.593 ( -0.414 0.000 -3.273) 3.299 2.658 ( 1.036 0.000 1.793) 2.071 2.728 ( 2.844 0.000 -0.122) 2.846 2.842 ( 3.427 0.000 -1.033) 3.579 2.879 ( 7.229 0.000 5.345) 8.990 3.103 ( 3.468 0.000 -3.335) 4.812 3.148 ( -5.138 0.000 3.112) 6.007 3.228 ( 0.255 0.000 -9.394) 9.398 3.266 ( 1.582 0.000 11.807) 11.913 3.277 ( -0.399 0.000 -2.846) 2.874 3.371 ( -0.864 0.000 -6.052) 6.114 3.588 ( 8.790 0.000 -0.212) 8.792 3.653 ( 3.909 0.000 0.927) 4.018 3.661 ( -5.414 0.000 -3.250) 6.314 3.714 ( 7.298 0.000 -5.770) 9.303 3.806 ( 8.884 0.000 -0.044) 8.884 3.999 ( -7.361 0.000 9.975) 12.397 4.046 ( -13.146 0.000 -3.489) 13.601 4.141 ( -2.927 0.000 -1.377) 3.235 4.161 ( -4.967 0.000 1.285) 5.130 4.358 ( 2.503 0.000 3.180) 4.047 4.361 ( -1.032 0.000 -6.488) 6.569 4.437 ( -4.649 0.000 5.246) 7.009 4.497 ( -1.339 0.000 -1.816) 2.256 4.573 ( 0.616 0.000 -5.839) 5.871 4.638 ( -1.284 0.000 -2.580) 2.882 4.902 ( -4.512 0.000 3.167) 5.512 4.993 ( -3.780 0.000 7.464) 8.366 5.108 ( 3.602 0.000 -1.079) 3.760 5.275 ( -4.059 0.000 -7.177) 8.245 5.329 ( -1.783 0.000 -0.821) 1.963 5.352 ( -10.673 0.000 0.324) 10.678 5.573 ( 4.694 0.000 -5.507) 7.236 5.641 ( -6.810 0.000 4.781) 8.321 5.751 ( -6.083 0.000 8.307) 10.296 5.934 ( 6.052 0.000 -0.299) 6.059 5.999 ( 0.352 0.000 -2.136) 2.165 6.421 ( 9.082 0.000 -7.725) 11.923 6.754 ( -3.502 0.000 10.062) 10.654 6.824 ( -3.418 0.000 -2.819) 4.431 6.934 ( -1.767 0.000 0.712) 1.905 6.980 ( 1.360 0.000 6.732) 6.868 7.208 ( -1.657 0.000 -9.373) 9.518 7.273 ( 2.846 0.000 -0.733) 2.939 7.578 ( -2.029 0.000 -2.193) 2.987 7.619 ( 1.084 0.000 3.163) 3.343 7.900 ( 2.476 0.000 0.949) 2.651 7.982 ( 4.411 0.000 1.035) 4.531 8.170 ( 1.281 0.000 1.673) 2.107 8.171 ( 0.949 0.000 -0.921) 1.322 9.511 ( -1.458 0.000 3.670) 3.949 9.539 ( -1.686 0.000 1.015) 1.968 9.717 ( 0.312 0.000 -0.317) 0.445 9.830 ( -2.139 0.000 -5.665) 6.056 9.936 ( 2.039 0.000 -4.491) 4.932 9.941 ( 2.556 0.000 4.899) 5.526 10.091 ( -3.888 0.000 -4.749) 6.137 10.094 ( 3.271 0.000 4.891) 5.885 10.276 ( 0.428 0.000 -0.981) 1.070 10.306 ( 0.351 0.000 -1.113) 1.167 10.800 ( -1.364 0.000 1.283) 1.872 10.873 ( 0.776 0.000 -0.688) 1.037 12.493 ( -2.265 0.000 -1.183) 2.555 12.541 ( -4.051 0.000 1.938) 4.491 12.558 ( 1.935 0.000 -0.148) 1.940 12.674 ( 1.510 0.000 0.140) 1.516 13.838 ( -0.349 0.000 0.680) 0.764 13.926 ( 2.033 0.000 -2.274) 3.050 14.090 ( -0.569 0.000 6.901) 6.925 14.225 ( -0.566 0.000 -4.387) 4.424 14.762 ( -1.222 0.000 0.349) 1.270 14.804 ( -0.694 0.000 -0.948) 1.175 14.932 ( 1.753 0.000 0.280) 1.776 14.934 ( 2.964 0.000 -1.377) 3.268 15.349 ( -0.593 0.000 2.076) 2.159 15.377 ( -1.029 0.000 -2.449) 2.657 15.487 ( -0.237 0.000 -2.521) 2.532 15.533 ( 3.695 0.000 3.333) 4.976 15.862 ( -0.122 0.000 1.516) 1.520 15.867 ( -2.025 0.000 -1.302) 2.408 15.989 ( -1.578 0.000 -0.370) 1.621 16.022 ( 1.200 0.000 0.730) 1.405 16.547 ( -1.420 0.000 0.986) 1.729 16.617 ( 0.692 0.000 -1.207) 1.392 16.766 ( -2.857 0.000 -3.015) 4.154 16.785 ( 2.409 0.000 3.442) 4.201 17.404 ( -0.214 0.000 -1.205) 1.224 17.412 ( 1.364 0.000 0.135) 1.371 17.564 ( 1.591 0.000 0.899) 1.827 17.569 ( 1.617 0.000 0.100) 1.620 21.493 ( -2.608 0.000 -1.014) 2.798 21.508 ( -3.448 0.000 1.152) 3.636 21.638 ( 3.961 0.000 -1.406) 4.203 21.662 ( 3.568 0.000 0.938) 3.689 27.230 ( 3.632 0.000 2.486) 4.401 27.231 ( 0.546 0.000 -2.108) 2.177 27.282 ( -0.100 0.000 -3.951) 3.953 27.338 ( 6.053 0.000 3.057) 6.781 28.761 ( 0.051 0.000 -0.896) 0.897 28.765 ( 0.276 0.000 -0.026) 0.277 28.793 ( -0.668 0.000 0.315) 0.738 28.841 ( 1.769 0.000 0.588) 1.864 29.851 ( -2.145 0.000 0.268) 2.162 29.889 ( -2.382 0.000 -0.631) 2.465 30.015 ( 4.373 0.000 -0.146) 4.376 30.057 ( 4.722 0.000 0.333) 4.734 30.727 ( -6.226 0.000 2.585) 6.742 30.815 ( -4.693 0.000 -2.564) 5.347 31.204 ( -0.086 0.000 3.491) 3.492 31.371 ( 2.883 0.000 -2.647) 3.914 31.662 ( -4.069 0.000 -0.447) 4.093 31.720 ( -3.138 0.000 6.640) 7.344 31.755 ( -0.074 0.000 0.475) 0.481 32.050 ( 1.394 0.000 -11.304) 11.390 32.341 ( -1.957 0.000 4.093) 4.537 32.454 ( 0.127 0.000 -3.039) 3.042 33.124 ( -3.251 0.000 3.288) 4.624 33.192 ( -4.173 0.000 -1.779) 4.536 33.464 ( 1.200 0.000 8.311) 8.397 33.572 ( 2.548 0.000 -3.273) 4.148 34.031 ( -5.729 0.000 -2.635) 6.306 34.276 ( 3.989 0.000 -0.540) 4.025 ======================= Grid point 85 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -17.802 0.000 -2.795) 18.020 1.518 ( -18.611 0.000 -4.419) 19.128 1.720 ( -0.854 0.000 8.282) 8.326 1.856 ( -8.212 0.000 10.372) 13.229 2.018 ( -2.684 0.000 1.576) 3.113 2.053 ( -6.929 0.000 -2.813) 7.478 2.136 ( -7.087 0.000 -4.918) 8.626 2.298 ( -8.921 0.000 5.623) 10.545 2.388 ( 1.439 0.000 -5.672) 5.852 2.501 ( -4.759 0.000 -1.872) 5.114 2.514 ( -3.320 0.000 -2.281) 4.028 2.666 ( -4.174 0.000 1.860) 4.570 2.748 ( -1.005 0.000 -0.854) 1.319 2.829 ( -3.234 0.000 0.373) 3.256 3.025 ( -6.358 0.000 0.889) 6.420 3.055 ( -15.437 0.000 2.499) 15.638 3.088 ( 6.334 0.000 5.018) 8.081 3.143 ( -1.951 0.000 -1.203) 2.292 3.212 ( 3.995 0.000 -9.435) 10.246 3.413 ( 2.356 0.000 9.183) 9.480 3.440 ( -4.616 0.000 -4.601) 6.517 3.487 ( 7.374 0.000 -4.161) 8.467 3.646 ( -4.332 0.000 3.917) 5.840 3.714 ( 4.001 0.000 -1.337) 4.218 3.769 ( -0.406 0.000 -3.513) 3.536 3.802 ( -15.871 0.000 0.261) 15.873 3.846 ( -2.846 0.000 -4.509) 5.333 3.945 ( 4.619 0.000 -2.198) 5.116 4.099 ( -0.633 0.000 -0.573) 0.854 4.165 ( 4.088 0.000 2.850) 4.983 4.262 ( -3.538 0.000 -7.459) 8.255 4.316 ( -12.292 0.000 6.169) 13.753 4.431 ( 1.313 0.000 1.713) 2.158 4.466 ( 1.412 0.000 0.461) 1.485 4.535 ( -1.317 0.000 -2.542) 2.863 4.617 ( 0.996 0.000 -2.140) 2.361 4.849 ( -3.601 0.000 2.639) 4.465 4.949 ( -7.551 0.000 8.400) 11.294 5.183 ( 0.256 0.000 -3.225) 3.235 5.190 ( 1.748 0.000 5.486) 5.758 5.226 ( 1.145 0.000 -6.648) 6.746 5.294 ( -0.891 0.000 -2.340) 2.504 5.574 ( -4.569 0.000 4.634) 6.508 5.593 ( 2.289 0.000 -6.089) 6.505 5.702 ( -5.219 0.000 6.105) 8.032 5.980 ( -0.978 0.000 -0.609) 1.152 5.982 ( 0.664 0.000 -3.248) 3.315 6.476 ( 3.780 0.000 -7.533) 8.428 6.744 ( -6.039 0.000 10.968) 12.520 6.787 ( 1.164 0.000 -0.685) 1.351 6.922 ( -0.204 0.000 0.992) 1.012 7.060 ( -0.441 0.000 9.533) 9.544 7.108 ( -1.703 0.000 -8.396) 8.567 7.299 ( 1.056 0.000 -1.270) 1.651 7.532 ( 1.112 0.000 -7.408) 7.491 7.689 ( 3.233 0.000 5.284) 6.195 7.987 ( 5.245 0.000 1.937) 5.592 8.052 ( 1.617 0.000 1.426) 2.156 8.190 ( 2.408 0.000 -3.188) 3.995 8.210 ( 1.769 0.000 1.067) 2.066 9.497 ( -3.387 0.000 4.170) 5.372 9.540 ( 1.645 0.000 -0.643) 1.766 9.717 ( -1.088 0.000 2.649) 2.864 9.730 ( -3.218 0.000 -6.238) 7.019 9.894 ( -1.551 0.000 -8.417) 8.559 10.009 ( 1.006 0.000 3.628) 3.765 10.042 ( 1.523 0.000 -0.608) 1.640 10.165 ( 1.900 0.000 0.307) 1.925 10.283 ( 0.957 0.000 -1.223) 1.553 10.321 ( 0.539 0.000 3.071) 3.118 10.790 ( -1.064 0.000 1.793) 2.085 10.882 ( 0.755 0.000 -0.729) 1.049 12.445 ( -1.907 0.000 -1.282) 2.297 12.460 ( -5.273 0.000 0.756) 5.327 12.605 ( 2.225 0.000 1.019) 2.447 12.685 ( -0.110 0.000 -0.650) 0.660 13.850 ( 1.117 0.000 0.958) 1.471 13.943 ( 1.901 0.000 -2.672) 3.280 14.138 ( -0.412 0.000 7.637) 7.648 14.188 ( 0.125 0.000 -3.822) 3.824 14.746 ( -0.843 0.000 0.707) 1.100 14.793 ( 0.767 0.000 -1.258) 1.474 14.965 ( 1.294 0.000 1.097) 1.696 14.988 ( 3.715 0.000 -1.189) 3.901 15.339 ( -1.951 0.000 1.908) 2.729 15.352 ( -0.128 0.000 -1.692) 1.697 15.463 ( 0.679 0.000 -4.309) 4.362 15.631 ( 3.328 0.000 3.836) 5.078 15.812 ( -3.031 0.000 -0.553) 3.081 15.857 ( -1.451 0.000 0.742) 1.629 15.956 ( -1.706 0.000 0.116) 1.710 16.072 ( 3.728 0.000 0.756) 3.803 16.548 ( 0.194 0.000 2.256) 2.264 16.592 ( -2.354 0.000 -2.591) 3.501 16.704 ( -1.367 0.000 -1.443) 1.988 16.841 ( 1.074 0.000 2.525) 2.744 17.389 ( -0.273 0.000 -1.226) 1.256 17.439 ( 1.736 0.000 -0.745) 1.889 17.613 ( 2.703 0.000 0.385) 2.730 17.616 ( 2.848 0.000 1.641) 3.287 21.435 ( -2.419 0.000 -1.973) 3.121 21.465 ( -2.361 0.000 1.600) 2.852 21.696 ( 3.705 0.000 -1.893) 4.161 21.738 ( 3.535 0.000 1.277) 3.759 27.238 ( 1.803 0.000 -1.455) 2.317 27.264 ( 1.644 0.000 -4.392) 4.690 27.334 ( 5.350 0.000 2.177) 5.776 27.494 ( 8.181 0.000 2.372) 8.518 28.748 ( -0.829 0.000 -0.561) 1.000 28.772 ( 0.393 0.000 0.146) 0.419 28.795 ( 0.702 0.000 0.101) 0.709 28.880 ( 2.096 0.000 0.456) 2.145 29.816 ( -1.769 0.000 0.243) 1.785 29.850 ( -1.197 0.000 -0.587) 1.333 30.107 ( 5.678 0.000 -0.228) 5.682 30.152 ( 5.063 0.000 -0.020) 5.063 30.623 ( -7.423 0.000 3.800) 8.339 30.683 ( -6.819 0.000 -2.732) 7.346 31.190 ( -4.154 0.000 3.110) 5.189 31.425 ( 4.078 0.000 -1.150) 4.237 31.583 ( -4.831 0.000 0.094) 4.831 31.659 ( -5.411 0.000 1.739) 5.683 31.824 ( 3.427 0.000 6.481) 7.331 31.852 ( -9.464 0.000 -14.212) 17.075 32.396 ( 1.506 0.000 5.873) 6.063 32.423 ( -1.336 0.000 -2.981) 3.267 33.085 ( -3.842 0.000 3.488) 5.189 33.096 ( -5.030 0.000 -0.134) 5.032 33.553 ( 1.166 0.000 9.130) 9.204 33.583 ( 2.956 0.000 -7.690) 8.239 33.901 ( -4.914 0.000 -3.866) 6.253 34.348 ( 3.832 0.000 0.298) 3.843 ======================= Grid point 86 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -22.967 0.000 1.602) 23.023 1.036 ( -27.153 0.000 -4.429) 27.512 1.761 ( -12.326 0.000 -2.618) 12.601 1.783 ( -21.432 0.000 2.436) 21.570 1.842 ( 5.757 0.000 7.530) 9.479 1.929 ( -11.046 0.000 -1.893) 11.207 2.005 ( -0.028 0.000 0.503) 0.503 2.216 ( -4.978 0.000 6.709) 8.354 2.286 ( -17.946 0.000 -1.245) 17.989 2.290 ( -5.549 0.000 -11.837) 13.073 2.444 ( -4.635 0.000 2.300) 5.174 2.519 ( -7.044 0.000 -2.417) 7.448 2.664 ( -6.001 0.000 -2.168) 6.381 2.782 ( -4.493 0.000 1.975) 4.908 2.803 ( -8.878 0.000 4.068) 9.765 2.898 ( -5.404 0.000 -1.405) 5.584 3.128 ( -8.418 0.000 1.323) 8.522 3.175 ( 0.858 0.000 4.085) 4.174 3.193 ( 1.589 0.000 -7.612) 7.776 3.384 ( 2.501 0.000 -2.509) 3.543 3.406 ( -2.842 0.000 -0.209) 2.850 3.470 ( -13.912 0.000 5.059) 14.804 3.584 ( -12.178 0.000 -2.969) 12.535 3.627 ( 8.022 0.000 -4.820) 9.359 3.666 ( -2.081 0.000 1.311) 2.459 3.768 ( 3.285 0.000 0.929) 3.414 3.905 ( 7.838 0.000 -0.809) 7.880 4.001 ( 4.825 0.000 -2.544) 5.455 4.124 ( 2.882 0.000 -2.198) 3.624 4.141 ( -8.871 0.000 7.551) 11.649 4.169 ( 0.857 0.000 -5.699) 5.763 4.248 ( -1.261 0.000 -0.687) 1.436 4.421 ( -0.235 0.000 -4.636) 4.641 4.477 ( -2.694 0.000 -2.910) 3.966 4.536 ( 1.780 0.000 6.430) 6.672 4.625 ( 0.643 0.000 -1.315) 1.464 4.820 ( 0.138 0.000 0.789) 0.801 4.873 ( -7.188 0.000 8.934) 11.467 5.170 ( -0.451 0.000 -5.227) 5.246 5.213 ( 0.762 0.000 1.659) 1.825 5.289 ( 5.064 0.000 -5.001) 7.117 5.322 ( 5.268 0.000 3.087) 6.105 5.532 ( -3.145 0.000 2.749) 4.177 5.575 ( 1.035 0.000 -5.867) 5.958 5.661 ( -4.340 0.000 6.258) 7.616 5.908 ( -6.451 0.000 2.125) 6.792 5.994 ( 3.992 0.000 -4.397) 5.939 6.470 ( 2.148 0.000 -6.407) 6.757 6.734 ( -3.089 0.000 10.417) 10.865 6.844 ( 4.557 0.000 0.174) 4.561 6.940 ( 1.424 0.000 0.053) 1.425 7.008 ( -3.780 0.000 -4.396) 5.798 7.096 ( -4.631 0.000 13.216) 14.004 7.306 ( 0.490 0.000 0.069) 0.495 7.490 ( 2.943 0.000 -16.101) 16.368 7.809 ( 4.748 0.000 5.195) 7.038 8.069 ( -0.528 0.000 0.980) 1.113 8.092 ( 4.389 0.000 -0.474) 4.414 8.184 ( 0.429 0.000 -6.137) 6.152 8.249 ( 1.847 0.000 0.495) 1.913 9.454 ( -4.308 0.000 3.718) 5.690 9.580 ( 4.278 0.000 -4.545) 6.242 9.633 ( -1.940 0.000 -5.616) 5.942 9.726 ( -1.255 0.000 6.054) 6.183 9.816 ( -1.570 0.000 -1.919) 2.480 10.031 ( -1.156 0.000 2.395) 2.659 10.086 ( 3.155 0.000 -1.028) 3.318 10.180 ( 1.006 0.000 -1.702) 1.977 10.287 ( 0.810 0.000 -1.928) 2.091 10.353 ( -0.724 0.000 3.963) 4.029 10.786 ( -0.934 0.000 1.849) 2.071 10.889 ( 0.890 0.000 -1.167) 1.468 12.368 ( -5.026 0.000 0.576) 5.059 12.400 ( -1.664 0.000 -2.793) 3.251 12.651 ( 1.800 0.000 0.964) 2.042 12.666 ( -1.043 0.000 -0.966) 1.421 13.895 ( 2.629 0.000 1.428) 2.992 13.955 ( 1.805 0.000 -2.804) 3.335 14.171 ( 0.803 0.000 -2.926) 3.035 14.181 ( -1.048 0.000 6.146) 6.234 14.759 ( 0.613 0.000 5.746) 5.779 14.820 ( 3.120 0.000 -0.875) 3.241 14.997 ( 0.869 0.000 1.673) 1.886 15.048 ( 3.450 0.000 -0.419) 3.476 15.314 ( -2.121 0.000 1.665) 2.696 15.344 ( 0.064 0.000 -0.103) 0.121 15.450 ( 1.759 0.000 -5.008) 5.308 15.686 ( -1.086 0.000 2.956) 3.149 15.753 ( -3.231 0.000 0.742) 3.315 15.836 ( -0.303 0.000 0.139) 0.333 15.938 ( -0.573 0.000 1.620) 1.718 16.156 ( 5.227 0.000 -2.106) 5.635 16.518 ( -3.022 0.000 -0.728) 3.109 16.583 ( 1.227 0.000 2.601) 2.876 16.678 ( -1.210 0.000 -0.707) 1.402 16.859 ( -0.429 0.000 -0.002) 0.429 17.380 ( -0.101 0.000 0.152) 0.183 17.464 ( 2.063 0.000 -1.864) 2.780 17.667 ( 2.551 0.000 0.647) 2.632 17.687 ( 3.221 0.000 2.097) 3.843 21.380 ( -1.810 0.000 -1.605) 2.419 21.444 ( -1.514 0.000 1.902) 2.431 21.748 ( 3.550 0.000 -1.838) 3.998 21.803 ( 2.513 0.000 0.632) 2.591 27.276 ( 2.613 0.000 -0.976) 2.789 27.280 ( 2.780 0.000 1.065) 2.977 27.446 ( 5.210 0.000 0.968) 5.299 27.660 ( 8.267 0.000 0.456) 8.280 28.728 ( -0.955 0.000 -0.120) 0.963 28.778 ( 0.239 0.000 -0.337) 0.413 28.817 ( 1.187 0.000 1.260) 1.731 28.924 ( 2.070 0.000 0.841) 2.234 29.793 ( -1.055 0.000 0.887) 1.379 29.839 ( 0.280 0.000 -0.110) 0.301 30.214 ( 5.932 0.000 -0.125) 5.933 30.232 ( 3.475 0.000 -0.065) 3.475 30.522 ( -6.376 0.000 3.364) 7.209 30.545 ( -5.603 0.000 -2.353) 6.077 31.131 ( -4.786 0.000 6.372) 7.969 31.432 ( -11.302 0.000 -6.702) 13.139 31.475 ( 1.099 0.000 -0.716) 1.312 31.570 ( -4.704 0.000 0.186) 4.708 31.610 ( -4.981 0.000 -3.155) 5.896 31.950 ( 3.926 0.000 6.866) 7.909 32.350 ( -3.875 0.000 -3.969) 5.547 32.448 ( -0.075 0.000 3.368) 3.369 33.018 ( -3.658 0.000 1.126) 3.828 33.035 ( -3.824 0.000 2.065) 4.346 33.555 ( 1.963 0.000 -12.243) 12.399 33.622 ( -2.217 0.000 8.887) 9.159 33.827 ( 0.941 0.000 -3.389) 3.517 34.409 ( 3.274 0.000 -3.287) 4.639 ======================= Grid point 87 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -21.342 0.000 13.435) 25.219 0.563 ( -21.468 0.000 10.253) 23.790 1.139 ( -43.939 0.000 21.517) 48.925 1.586 ( -8.194 0.000 -7.729) 11.264 1.739 ( -5.500 0.000 -0.045) 5.500 1.923 ( -1.037 0.000 -2.154) 2.390 1.955 ( -13.404 0.000 -17.593) 22.118 2.033 ( -8.695 0.000 -0.962) 8.748 2.080 ( 1.652 0.000 7.534) 7.713 2.195 ( -4.377 0.000 8.279) 9.364 2.319 ( -5.349 0.000 -3.049) 6.158 2.427 ( -2.042 0.000 4.496) 4.938 2.540 ( -6.125 0.000 -1.327) 6.268 2.702 ( -4.958 0.000 2.035) 5.359 2.733 ( -2.681 0.000 3.870) 4.708 2.832 ( 2.207 0.000 -9.986) 10.227 2.991 ( -6.459 0.000 2.566) 6.950 3.099 ( -3.132 0.000 -10.547) 11.002 3.179 ( -0.292 0.000 -1.992) 2.013 3.276 ( -8.615 0.000 3.031) 9.133 3.341 ( -10.542 0.000 -1.142) 10.604 3.415 ( 2.188 0.000 -0.943) 2.383 3.472 ( 4.155 0.000 5.097) 6.576 3.663 ( 0.375 0.000 2.152) 2.185 3.726 ( 6.118 0.000 -2.445) 6.588 3.838 ( 3.326 0.000 0.086) 3.327 4.041 ( 5.777 0.000 -1.071) 5.875 4.047 ( -6.216 0.000 6.736) 9.166 4.082 ( 2.601 0.000 -0.577) 2.664 4.157 ( -4.902 0.000 -1.834) 5.233 4.161 ( 3.070 0.000 -4.357) 5.330 4.258 ( 11.671 0.000 8.038) 14.171 4.396 ( 1.904 0.000 -6.250) 6.533 4.398 ( -2.833 0.000 -3.021) 4.141 4.559 ( -4.638 0.000 6.433) 7.931 4.592 ( -3.911 0.000 -1.738) 4.279 4.835 ( -4.389 0.000 9.010) 10.022 4.885 ( 4.142 0.000 3.030) 5.132 5.103 ( -0.350 0.000 -8.749) 8.756 5.208 ( -0.366 0.000 -2.086) 2.118 5.355 ( 2.573 0.000 -3.130) 4.052 5.407 ( 0.899 0.000 2.975) 3.108 5.505 ( -0.206 0.000 -1.393) 1.408 5.529 ( -2.898 0.000 -6.878) 7.463 5.633 ( -4.018 0.000 6.820) 7.915 5.840 ( -3.633 0.000 8.878) 9.593 6.029 ( 3.058 0.000 -7.379) 7.988 6.501 ( 5.202 0.000 -2.292) 5.685 6.780 ( -0.009 0.000 4.378) 4.378 6.923 ( -2.826 0.000 1.393) 3.150 6.926 ( 4.307 0.000 -2.638) 5.051 6.963 ( 1.100 0.000 -0.201) 1.118 7.136 ( -3.568 0.000 8.120) 8.869 7.318 ( -0.069 0.000 1.086) 1.089 7.327 ( -4.010 0.000 -14.365) 14.914 7.894 ( 1.113 0.000 -2.113) 2.388 8.059 ( -1.060 0.000 0.746) 1.296 8.093 ( -2.023 0.000 -6.252) 6.571 8.138 ( 0.728 0.000 -3.645) 3.717 8.280 ( 0.825 0.000 0.210) 0.851 9.411 ( -3.404 0.000 4.143) 5.362 9.584 ( 0.508 0.000 -3.033) 3.075 9.604 ( 2.910 0.000 -6.847) 7.440 9.766 ( 0.931 0.000 3.653) 3.769 9.815 ( 0.117 0.000 4.814) 4.815 10.004 ( -3.515 0.000 2.317) 4.210 10.132 ( 2.659 0.000 -1.379) 2.995 10.192 ( 1.109 0.000 -0.301) 1.149 10.285 ( 0.797 0.000 -1.998) 2.151 10.346 ( -2.263 0.000 1.692) 2.826 10.783 ( -0.888 0.000 1.679) 1.899 10.896 ( 0.978 0.000 -2.032) 2.255 12.292 ( -3.404 0.000 0.509) 3.441 12.324 ( -3.524 0.000 -4.899) 6.035 12.644 ( -0.564 0.000 -0.282) 0.630 12.681 ( 0.758 0.000 0.320) 0.823 13.955 ( 2.050 0.000 1.660) 2.637 13.987 ( 4.040 0.000 -0.607) 4.085 14.172 ( 1.324 0.000 -1.827) 2.257 14.185 ( -2.274 0.000 2.807) 3.613 14.887 ( 4.194 0.000 -0.150) 4.197 14.939 ( 12.273 0.000 15.347) 19.651 15.021 ( 1.101 0.000 3.319) 3.497 15.104 ( 1.887 0.000 1.288) 2.284 15.291 ( -1.457 0.000 1.371) 2.000 15.359 ( 0.691 0.000 3.032) 3.110 15.448 ( 1.983 0.000 -3.967) 4.435 15.645 ( -3.700 0.000 0.733) 3.772 15.708 ( -2.702 0.000 1.650) 3.166 15.848 ( 0.384 0.000 0.416) 0.566 15.992 ( 5.144 0.000 6.399) 8.210 16.212 ( 4.502 0.000 -5.687) 7.253 16.489 ( -2.007 0.000 3.018) 3.624 16.619 ( 0.527 0.000 1.530) 1.618 16.643 ( -1.150 0.000 -1.658) 2.018 16.785 ( -7.042 0.000 -9.837) 12.098 17.390 ( 0.043 0.000 2.156) 2.156 17.484 ( 2.036 0.000 -2.811) 3.471 17.710 ( 1.402 0.000 0.861) 1.646 17.757 ( 2.502 0.000 0.107) 2.504 21.374 ( 2.287 0.000 4.226) 4.805 21.435 ( -1.138 0.000 1.931) 2.241 21.798 ( 2.995 0.000 -0.916) 3.132 21.837 ( 1.083 0.000 -0.061) 1.085 27.323 ( 2.320 0.000 1.513) 2.770 27.458 ( 13.648 0.000 16.960) 21.770 27.526 ( 2.960 0.000 -0.595) 3.019 27.789 ( 5.660 0.000 -1.096) 5.766 28.714 ( -0.562 0.000 0.294) 0.635 28.775 ( 0.093 0.000 -1.246) 1.249 28.887 ( 5.456 0.000 7.344) 9.148 28.967 ( 1.244 0.000 1.964) 2.325 29.814 ( 2.836 0.000 5.055) 5.797 29.858 ( 1.208 0.000 1.328) 1.796 30.273 ( 0.358 0.000 1.376) 1.422 30.313 ( 4.289 0.000 -0.029) 4.289 30.446 ( -3.284 0.000 0.566) 3.332 30.456 ( -2.069 0.000 -1.628) 2.633 31.159 ( -9.072 0.000 -6.543) 11.186 31.182 ( 4.681 0.000 13.664) 14.444 31.452 ( -2.018 0.000 -0.026) 2.018 31.498 ( -2.854 0.000 -0.504) 2.898 31.586 ( -0.081 0.000 2.058) 2.060 32.042 ( 0.913 0.000 2.386) 2.555 32.186 ( -10.953 0.000 -12.626) 16.715 32.443 ( -1.872 0.000 0.061) 1.873 32.976 ( -2.092 0.000 0.582) 2.172 32.984 ( -2.625 0.000 0.643) 2.702 33.439 ( -4.258 0.000 -14.423) 15.038 33.606 ( -4.232 0.000 4.144) 5.923 33.867 ( 3.409 0.000 -0.451) 3.439 34.334 ( -7.321 0.000 -16.654) 18.192 ======================= Grid point 88 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 4.927 16.335 18.520) 25.181 0.797 ( 5.037 18.416 21.644) 28.861 1.293 ( -4.560 30.491 28.726) 42.139 1.429 ( -2.693 4.109 -13.002) 13.899 1.703 ( -2.387 8.213 -19.316) 21.125 1.729 ( -0.730 1.084 3.245) 3.498 1.864 ( -1.496 -1.219 -2.743) 3.353 2.037 ( 6.427 -1.859 5.770) 8.835 2.114 ( -1.470 -5.337 6.793) 8.763 2.204 ( -1.430 3.014 2.286) 4.045 2.370 ( 3.879 3.658 1.117) 5.447 2.409 ( 2.509 0.643 2.211) 3.405 2.486 ( 0.045 -2.153 0.586) 2.231 2.603 ( 1.507 -7.127 -0.659) 7.315 2.648 ( 0.990 -2.441 1.030) 2.828 2.841 ( -0.911 2.512 -4.700) 5.407 2.857 ( 1.081 -4.825 -7.293) 8.811 3.019 ( -0.517 -3.242 -2.537) 4.149 3.087 ( -8.054 -4.334 1.151) 9.218 3.202 ( 4.192 1.285 -8.255) 9.347 3.317 ( 4.075 2.237 -1.365) 4.845 3.423 ( -0.797 -2.848 -2.698) 4.004 3.545 ( -0.735 -1.989 3.459) 4.057 3.712 ( -0.239 -0.312 0.982) 1.058 3.763 ( 2.344 1.746 4.457) 5.330 3.890 ( -1.264 -2.066 0.650) 2.507 3.969 ( -0.254 0.107 -5.503) 5.510 4.029 ( 2.614 -1.336 -2.192) 3.664 4.087 ( -0.509 -4.856 0.307) 4.892 4.129 ( -4.173 5.116 1.888) 6.867 4.233 ( 4.084 1.113 -0.405) 4.253 4.344 ( -2.685 -4.743 2.398) 5.955 4.375 ( -0.077 -0.205 -0.774) 0.804 4.479 ( 3.058 1.363 0.963) 3.483 4.554 ( -2.074 3.524 -2.068) 4.582 4.595 ( 3.851 -3.833 6.021) 8.111 4.804 ( -0.832 1.426 4.810) 5.086 4.982 ( -0.165 -0.031 2.294) 2.300 4.988 ( -4.941 -5.205 0.901) 7.233 5.222 ( 7.937 3.343 0.287) 8.617 5.316 ( 0.733 -2.203 -1.681) 2.866 5.368 ( -2.904 -0.945 -4.262) 5.243 5.454 ( -0.360 2.975 -2.122) 3.672 5.590 ( -2.600 6.420 -5.242) 8.687 5.642 ( 7.341 1.019 -0.167) 7.413 5.824 ( 1.231 -4.384 4.572) 6.453 6.057 ( -1.146 4.090 -0.542) 4.282 6.381 ( -5.751 -1.007 -1.675) 6.074 6.753 ( -4.124 2.850 2.235) 5.489 6.830 ( -3.531 -4.021 3.353) 6.315 6.874 ( 5.944 -2.367 2.349) 6.815 6.975 ( 0.412 0.477 -1.730) 1.841 7.016 ( 1.292 1.749 2.161) 3.066 7.246 ( -3.029 -0.728 3.449) 4.648 7.750 ( 5.301 6.261 0.400) 8.214 7.920 ( -3.028 -3.690 -2.688) 5.478 7.963 ( 0.237 1.321 -4.441) 4.639 8.001 ( -0.998 -0.582 -6.686) 6.785 8.206 ( 3.717 1.083 3.240) 5.048 8.289 ( -0.845 0.766 -1.196) 1.652 9.436 ( -1.825 4.882 4.307) 6.761 9.583 ( 3.434 -2.355 1.998) 4.618 9.637 ( -0.257 4.174 -5.416) 6.843 9.748 ( 1.771 -2.632 -2.797) 4.229 9.879 ( 1.310 -0.138 5.199) 5.364 9.977 ( -2.354 2.375 6.416) 7.235 10.107 ( 0.471 -4.027 -2.778) 4.915 10.204 ( -0.898 0.512 -0.609) 1.200 10.253 ( -3.486 -3.318 -0.417) 4.830 10.352 ( 2.007 2.749 -1.815) 3.858 10.703 ( -1.243 -7.690 1.871) 8.011 10.801 ( 0.418 -7.653 -2.410) 8.035 12.306 ( 0.052 4.357 -0.389) 4.375 12.317 ( 0.993 3.882 -0.508) 4.039 12.637 ( 0.564 -1.231 0.834) 1.591 12.669 ( -0.416 -1.407 -0.463) 1.538 13.972 ( 0.026 -2.207 2.049) 3.012 14.024 ( 0.384 0.427 -0.576) 0.813 14.124 ( -2.366 -1.808 1.010) 3.144 14.228 ( 1.822 -0.246 -5.346) 5.653 14.778 ( 2.382 -10.538 5.632) 12.183 14.908 ( -2.445 -6.686 -2.304) 7.483 15.063 ( -1.606 1.320 4.204) 4.690 15.181 ( 1.124 -3.232 -1.188) 3.623 15.406 ( 1.643 4.557 0.092) 4.845 15.471 ( -1.964 3.462 -2.689) 4.803 15.605 ( -0.425 1.840 -1.249) 2.264 15.618 ( 2.035 3.833 -3.623) 5.653 15.772 ( 2.244 4.115 1.348) 4.877 15.866 ( -0.668 2.448 -1.675) 3.041 16.111 ( -8.241 -3.024 1.838) 8.968 16.186 ( 2.287 -6.223 -2.242) 6.998 16.438 ( 1.803 0.302 0.839) 2.011 16.510 ( -1.825 1.079 -3.913) 4.450 16.605 ( -1.108 -0.600 -0.441) 1.335 16.627 ( 2.414 -0.812 -1.053) 2.756 17.406 ( -1.507 1.737 1.523) 2.758 17.526 ( 1.599 2.359 -4.219) 5.091 17.713 ( -2.118 -1.721 1.702) 3.216 17.726 ( -0.451 -0.260 0.796) 0.951 21.451 ( -0.242 2.398 2.565) 3.520 21.499 ( 1.551 0.273 1.792) 2.386 21.856 ( 0.598 1.518 0.580) 1.731 21.867 ( -0.835 1.963 -0.070) 2.134 27.379 ( 0.635 0.477 3.798) 3.880 27.430 ( 0.439 -3.164 4.771) 5.742 27.874 ( -0.366 3.996 -1.659) 4.342 28.026 ( -0.140 7.480 -11.857) 14.020 28.702 ( 0.167 -0.824 0.278) 0.886 28.730 ( 0.217 -2.417 -0.775) 2.547 28.987 ( -0.693 2.115 4.459) 4.984 29.178 ( 1.957 2.413 -7.120) 7.768 29.877 ( 0.139 -0.255 4.936) 4.944 30.010 ( 2.189 -1.641 -0.450) 2.773 30.301 ( -0.958 2.418 2.011) 3.288 30.370 ( 0.170 1.821 -0.513) 1.900 30.438 ( 0.121 1.472 0.193) 1.489 30.466 ( 0.013 1.761 -0.169) 1.769 30.885 ( -12.790 -7.552 6.709) 16.298 31.060 ( 4.785 -5.498 -2.498) 7.704 31.480 ( 1.231 1.387 0.096) 1.857 31.571 ( -6.484 1.387 -1.669) 6.837 31.640 ( -7.905 6.190 -5.635) 11.514 31.799 ( 6.959 0.358 -6.792) 9.731 32.148 ( 8.456 0.876 7.302) 11.207 32.382 ( -0.818 -0.642 -3.238) 3.401 32.579 ( 2.961 -15.715 14.183) 21.375 32.799 ( -1.187 -11.149 -1.405) 11.300 33.565 ( -1.580 10.163 5.383) 11.609 33.853 ( 4.510 6.158 -6.350) 9.929 33.923 ( 1.774 1.506 1.693) 2.878 34.114 ( -3.524 7.960 -12.083) 14.892 ======================= Grid point 89 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 13.031 11.743 14.153) 22.539 1.114 ( 7.375 9.634 20.460) 23.786 1.331 ( 5.531 4.391 -11.744) 13.704 1.507 ( -0.319 6.584 -18.326) 19.475 1.742 ( 15.118 8.940 17.217) 24.595 1.839 ( 13.446 8.328 7.816) 17.642 1.886 ( 3.653 -0.186 -3.566) 5.109 2.126 ( 1.897 -1.188 4.656) 5.166 2.218 ( 6.429 -0.540 -0.161) 6.453 2.230 ( 6.766 3.286 0.734) 7.558 2.455 ( 6.683 1.152 -6.371) 9.305 2.503 ( 9.122 -0.207 0.111) 9.125 2.582 ( 3.755 -3.612 6.359) 8.220 2.646 ( 5.541 -5.372 -4.202) 8.787 2.715 ( 3.825 -1.890 1.984) 4.705 2.826 ( 5.388 0.427 -14.023) 15.028 2.859 ( 5.073 -3.052 1.525) 6.114 2.931 ( -6.939 -1.199 1.248) 7.151 3.032 ( 2.254 -2.015 -1.703) 3.470 3.208 ( 1.666 2.813 -3.708) 4.944 3.376 ( 4.054 -3.600 -1.019) 5.517 3.433 ( 3.036 -0.162 -2.072) 3.679 3.573 ( 2.908 -1.571 0.918) 3.430 3.690 ( -3.155 -3.835 4.578) 6.755 3.799 ( -0.618 2.514 -1.861) 3.188 3.861 ( -1.283 0.821 -7.382) 7.537 3.917 ( -0.854 -1.635 3.365) 3.837 4.029 ( -0.615 -1.623 -1.261) 2.146 4.063 ( -3.467 7.382 2.400) 8.501 4.158 ( 3.900 -1.611 2.358) 4.833 4.237 ( -4.439 0.736 -1.341) 4.696 4.330 ( 0.204 -0.947 0.560) 1.119 4.371 ( 2.188 1.569 -1.916) 3.305 4.481 ( -1.631 0.106 -0.983) 1.907 4.565 ( 2.442 -1.414 1.013) 2.999 4.631 ( -2.644 -4.105 3.037) 5.750 4.853 ( 3.622 1.867 -0.863) 4.165 4.922 ( -3.042 -2.957 4.364) 6.086 5.020 ( 1.259 -0.651 1.968) 2.425 5.184 ( -6.999 7.281 -5.051) 11.292 5.322 ( 0.233 -3.905 -2.547) 4.668 5.383 ( 0.376 1.674 2.610) 3.124 5.505 ( 4.579 -3.842 1.011) 6.062 5.542 ( 3.522 1.322 -3.619) 5.220 5.734 ( 0.586 -3.446 1.512) 3.808 5.931 ( 10.176 3.226 -6.759) 12.635 6.046 ( -2.273 0.939 7.673) 8.057 6.269 ( -2.725 2.051 -4.166) 5.384 6.703 ( -3.231 1.351 3.562) 4.995 6.793 ( -4.199 -4.473 3.912) 7.276 6.918 ( 0.616 1.525 -2.010) 2.597 6.952 ( 0.280 3.475 -2.833) 4.493 7.179 ( 6.624 -1.595 8.236) 10.689 7.228 ( 1.401 -2.208 -1.192) 2.873 7.721 ( -5.474 5.496 -0.109) 7.758 7.859 ( -2.380 1.403 -1.881) 3.343 7.953 ( 0.450 -3.701 -4.776) 6.059 7.973 ( 1.692 -2.084 -2.555) 3.706 8.247 ( -1.793 0.350 -1.825) 2.582 8.283 ( 2.030 1.511 0.769) 2.644 9.438 ( -1.258 4.512 3.412) 5.795 9.569 ( -2.224 2.292 -3.941) 5.072 9.693 ( 4.721 -0.365 2.094) 5.177 9.751 ( 2.877 -0.000 -5.187) 5.931 9.945 ( 0.835 -0.926 4.243) 4.423 9.999 ( -1.327 3.018 6.834) 7.588 10.093 ( 0.433 -4.406 -4.477) 6.296 10.150 ( -1.739 -1.421 -1.656) 2.790 10.230 ( -0.642 -0.929 2.631) 2.863 10.354 ( -0.165 0.583 -1.614) 1.724 10.695 ( -1.075 -8.189 2.189) 8.545 10.793 ( 0.509 -7.416 -2.115) 7.728 12.323 ( 2.281 4.260 -0.709) 4.884 12.357 ( 3.341 2.866 -0.894) 4.492 12.644 ( -0.868 -1.374 -0.317) 1.656 12.664 ( 0.663 -1.002 0.361) 1.254 13.954 ( -3.024 0.362 0.992) 3.203 14.012 ( -1.128 -1.403 -0.828) 1.982 14.073 ( -3.554 -2.191 1.223) 4.351 14.213 ( 0.324 -1.460 -2.015) 2.509 14.807 ( -3.545 -6.971 0.072) 7.821 14.865 ( 0.069 -9.098 2.086) 9.334 15.054 ( -1.789 2.021 2.674) 3.799 15.171 ( -2.131 -1.042 -0.968) 2.563 15.339 ( -6.674 7.256 -0.911) 9.900 15.419 ( -0.405 3.751 0.856) 3.869 15.595 ( 0.047 2.293 -2.141) 3.137 15.647 ( 2.546 0.290 0.486) 2.608 15.796 ( -1.576 0.702 1.880) 2.552 15.869 ( 2.584 2.240 -0.897) 3.535 15.925 ( -7.040 5.126 3.668) 9.450 16.176 ( -4.612 -1.377 -2.930) 5.635 16.450 ( 5.530 -3.708 1.489) 6.823 16.554 ( -1.354 -1.587 0.496) 2.145 16.635 ( 4.071 -1.056 -0.234) 4.212 16.676 ( 4.818 -1.674 -4.040) 6.507 17.395 ( -0.708 1.116 1.649) 2.113 17.512 ( 0.006 1.895 -3.268) 3.777 17.686 ( -2.645 -1.103 2.175) 3.598 17.707 ( -2.126 -0.558 0.793) 2.337 21.454 ( -0.831 2.863 1.117) 3.184 21.519 ( -0.065 1.087 1.061) 1.520 21.815 ( -3.838 1.907 -0.706) 4.344 21.845 ( -2.251 0.956 0.700) 2.544 27.401 ( -1.694 0.220 4.076) 4.420 27.433 ( -2.395 -1.408 0.895) 2.919 27.781 ( -8.554 4.652 -0.994) 9.788 27.811 ( -11.869 7.251 -3.622) 14.373 28.714 ( 0.780 -0.997 0.360) 1.316 28.729 ( 0.417 -1.828 -0.931) 2.093 28.977 ( -3.215 2.062 2.933) 4.816 29.064 ( -6.692 3.549 -1.595) 7.742 29.880 ( -3.048 0.072 3.170) 4.398 29.915 ( -6.307 0.792 0.920) 6.423 30.297 ( -1.707 1.161 1.406) 2.497 30.327 ( -4.560 1.318 -0.028) 4.747 30.423 ( -0.176 2.398 0.329) 2.426 30.487 ( 4.411 1.549 -0.277) 4.683 30.898 ( 7.215 -1.054 2.681) 7.769 31.226 ( 8.782 -9.681 -1.340) 13.139 31.479 ( 0.575 3.281 -0.644) 3.392 31.579 ( 6.088 5.311 2.862) 8.571 31.662 ( 6.053 -0.966 5.245) 8.067 31.774 ( -0.673 -0.733 -6.928) 6.999 32.305 ( -0.040 0.222 -5.227) 5.232 32.376 ( 7.109 1.574 1.589) 7.453 32.785 ( 4.511 -9.996 0.019) 10.966 32.848 ( 10.377 -13.622 0.741) 17.140 33.527 ( -5.657 9.082 2.172) 10.918 33.879 ( 1.851 -0.407 -2.686) 3.288 33.893 ( -4.236 2.277 2.010) 5.213 34.072 ( 5.178 4.981 -8.351) 11.017 ======================= Grid point 90 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 8.715 1.611 -10.379) 13.648 1.335 ( 8.476 6.422 -7.868) 13.228 1.453 ( 9.779 6.262 11.323) 16.219 1.522 ( 10.351 6.889 10.082) 16.008 1.879 ( 2.179 1.402 -4.429) 5.131 1.885 ( 1.915 -2.054 1.531) 3.199 2.185 ( 3.686 -5.220 0.254) 6.395 2.258 ( 2.537 2.741 2.430) 4.456 2.372 ( 3.849 2.379 2.201) 5.032 2.404 ( 16.361 0.588 4.383) 16.948 2.604 ( 10.277 2.069 -3.108) 10.934 2.634 ( 3.252 -3.505 -7.461) 8.861 2.691 ( 9.726 1.281 -2.164) 10.046 2.737 ( 4.843 -4.857 -0.055) 6.859 2.826 ( 10.864 0.059 -1.291) 10.940 2.833 ( -0.313 0.875 8.472) 8.523 2.930 ( 8.457 0.244 -5.817) 10.267 3.032 ( 2.758 -1.206 3.616) 4.705 3.102 ( 15.677 1.463 -6.717) 17.118 3.256 ( 4.610 2.252 4.679) 6.943 3.426 ( 1.879 -3.444 -1.174) 4.095 3.509 ( 5.142 -2.121 -0.634) 5.598 3.662 ( 3.371 3.550 0.098) 4.897 3.699 ( -0.791 -2.682 -0.145) 2.800 3.729 ( 2.018 -1.618 -2.382) 3.517 3.807 ( 2.884 3.947 -7.475) 8.931 3.894 ( -7.928 5.109 3.181) 9.953 4.001 ( -0.451 1.459 1.792) 2.355 4.041 ( -0.922 0.780 1.647) 2.042 4.120 ( -5.485 1.292 -2.162) 6.036 4.208 ( -1.011 2.510 0.813) 2.825 4.349 ( 3.531 -0.602 -1.578) 3.914 4.396 ( -0.262 -0.371 0.950) 1.052 4.491 ( 3.998 -0.859 -0.314) 4.101 4.578 ( 0.681 -3.607 0.186) 3.676 4.616 ( -0.835 0.393 -0.919) 1.303 4.908 ( 0.371 -2.604 5.505) 6.101 4.944 ( 1.423 3.281 3.144) 4.762 4.989 ( -3.247 5.301 -5.288) 8.162 5.105 ( 1.610 -1.011 0.830) 2.075 5.274 ( -2.443 -3.054 -2.419) 4.599 5.416 ( 0.015 4.159 0.704) 4.218 5.482 ( -1.108 -4.107 1.210) 4.422 5.660 ( 5.292 -5.616 -1.937) 7.957 5.704 ( -4.715 -1.945 3.491) 6.181 5.983 ( 1.856 6.945 -4.105) 8.279 6.133 ( 2.497 -3.622 6.086) 7.510 6.226 ( 3.830 0.220 -8.950) 9.737 6.696 ( -0.471 -1.300 2.756) 3.084 6.749 ( -2.888 -3.693 2.784) 5.452 6.916 ( 0.860 1.038 2.257) 2.629 6.974 ( 2.195 6.011 0.393) 6.411 7.254 ( 2.361 1.626 -2.864) 4.052 7.312 ( 2.437 -1.757 3.506) 4.617 7.608 ( -4.079 6.313 -4.649) 8.838 7.840 ( -0.490 2.593 4.661) 5.356 7.886 ( -4.614 -4.843 -1.231) 6.801 7.990 ( 0.717 -2.600 -0.561) 2.755 8.192 ( -1.780 0.982 -2.466) 3.197 8.298 ( -0.634 2.105 -0.591) 2.276 9.442 ( -0.845 3.112 2.876) 4.321 9.516 ( -0.636 2.991 -2.080) 3.698 9.728 ( 2.594 0.966 -5.831) 6.455 9.811 ( 2.809 -2.036 0.966) 3.601 9.966 ( -1.243 0.457 3.273) 3.531 9.992 ( -2.565 -0.280 0.037) 2.581 10.033 ( -0.801 -0.727 -6.619) 6.707 10.177 ( 1.277 -0.906 5.019) 5.258 10.245 ( 0.087 -2.362 1.788) 2.964 10.331 ( -0.806 -1.889 -0.630) 2.148 10.703 ( -0.267 -8.127 2.929) 8.643 10.786 ( 0.420 -7.594 -1.778) 7.811 12.371 ( 3.414 3.015 -0.961) 4.655 12.420 ( 3.963 2.979 -0.329) 4.969 12.624 ( -0.840 -0.741 0.082) 1.124 12.675 ( 0.126 -0.789 -0.187) 0.821 13.901 ( -2.973 1.352 0.852) 3.375 13.963 ( -2.137 -0.772 -2.516) 3.390 14.034 ( -2.325 -3.003 2.541) 4.570 14.218 ( 0.920 -3.333 0.066) 3.458 14.735 ( -2.161 -4.741 -2.236) 5.670 14.880 ( -1.174 -6.758 3.261) 7.595 15.042 ( -1.687 2.818 1.720) 3.707 15.086 ( -5.047 4.037 -0.959) 6.534 15.284 ( -0.515 0.889 0.873) 1.349 15.414 ( -0.649 2.408 0.228) 2.504 15.556 ( -1.441 4.071 -3.969) 5.866 15.693 ( -0.034 -1.098 2.877) 3.080 15.775 ( -1.313 0.038 1.727) 2.170 15.880 ( 0.570 4.328 -0.269) 4.374 15.931 ( 2.210 1.644 2.063) 3.442 16.061 ( -3.670 1.720 -3.424) 5.306 16.527 ( -0.803 -0.399 0.436) 0.997 16.575 ( 3.611 -4.864 2.034) 6.390 16.693 ( 2.924 -1.584 -0.250) 3.335 16.720 ( 2.601 -2.174 -1.620) 3.757 17.402 ( 0.074 0.453 1.214) 1.298 17.478 ( -1.254 1.341 -2.500) 3.102 17.645 ( -3.384 -1.108 1.825) 4.001 17.665 ( -3.070 -0.808 0.858) 3.288 21.445 ( -0.216 3.044 -0.213) 3.059 21.527 ( 0.307 1.785 0.633) 1.919 21.732 ( -4.059 1.138 -1.271) 4.403 21.797 ( -3.198 0.051 0.657) 3.265 27.360 ( -4.360 1.037 -2.837) 5.304 27.377 ( -3.482 -0.298 1.697) 3.885 27.586 ( -10.776 4.706 -2.084) 11.942 27.603 ( -9.506 3.987 3.211) 10.796 28.731 ( 0.744 -1.230 -0.366) 1.484 28.735 ( 0.884 -1.177 -0.178) 1.483 28.928 ( -3.479 2.338 1.171) 4.352 28.954 ( -4.760 3.008 -0.019) 5.631 29.840 ( -2.080 0.289 1.281) 2.460 29.854 ( -1.365 0.055 -0.446) 1.437 30.227 ( -5.909 0.153 0.063) 5.912 30.234 ( -5.288 0.320 -0.206) 5.302 30.479 ( 5.164 3.017 1.123) 6.086 30.606 ( 7.783 1.501 0.079) 7.926 31.076 ( 8.089 -1.981 4.090) 9.278 31.295 ( 3.003 -7.626 -4.288) 9.250 31.523 ( 3.124 1.777 -0.024) 3.594 31.605 ( -0.540 2.833 -1.872) 3.438 31.726 ( 1.299 3.692 -2.554) 4.674 31.995 ( 14.514 -2.307 12.359) 19.202 32.239 ( -1.103 1.094 -7.759) 7.913 32.505 ( 5.165 2.928 1.092) 6.037 32.878 ( 6.401 -8.002 0.508) 10.260 33.022 ( 8.455 -4.401 -1.156) 9.602 33.417 ( -6.173 8.403 -0.050) 10.427 33.797 ( -5.419 1.981 -0.332) 5.780 33.930 ( 2.761 -6.804 0.418) 7.354 34.107 ( 3.393 -0.593 -3.281) 4.757 ======================= Grid point 91 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 12.111 1.932 -3.364) 12.717 1.450 ( 11.866 0.784 -7.840) 14.244 1.746 ( 9.347 2.943 11.403) 15.036 1.803 ( 7.974 2.902 8.717) 12.165 1.889 ( 2.337 0.019 0.339) 2.362 1.953 ( 7.325 2.250 -1.240) 7.763 2.229 ( 1.821 -3.652 -4.114) 5.795 2.270 ( 2.683 0.326 -2.999) 4.037 2.430 ( 0.041 2.427 5.847) 6.331 2.568 ( 0.835 -10.178 0.815) 10.245 2.608 ( 4.191 -0.424 -7.965) 9.010 2.735 ( 3.645 1.422 -1.914) 4.356 2.805 ( 4.521 1.987 -1.077) 5.054 2.816 ( 4.035 0.434 1.363) 4.281 2.877 ( -0.846 0.004 5.870) 5.930 2.951 ( 3.458 -1.937 -3.786) 5.482 3.026 ( 2.024 3.154 1.102) 3.906 3.100 ( 0.563 -0.454 4.728) 4.783 3.326 ( 8.032 -2.453 -7.696) 11.391 3.446 ( 3.857 -2.484 1.134) 4.725 3.503 ( 10.322 -0.294 -0.010) 10.326 3.557 ( -1.354 2.083 0.898) 2.642 3.624 ( -3.357 1.237 0.532) 3.617 3.663 ( -2.770 5.955 -6.169) 9.010 3.729 ( -1.100 -0.194 4.872) 4.998 3.837 ( 3.345 2.640 -2.946) 5.180 3.930 ( 0.592 6.720 -2.568) 7.218 3.947 ( 4.866 -3.213 0.692) 5.872 4.047 ( 1.105 2.817 -2.171) 3.725 4.084 ( 3.323 1.534 1.391) 3.915 4.208 ( 4.011 0.408 -0.394) 4.051 4.391 ( -0.786 -1.227 2.451) 2.852 4.430 ( 4.978 0.395 -1.555) 5.230 4.564 ( -2.099 3.636 1.270) 4.386 4.585 ( 3.443 0.049 -1.201) 3.646 4.633 ( 4.368 1.870 -0.682) 4.800 4.917 ( 0.693 -1.436 -1.436) 2.146 4.957 ( -1.912 -0.578 5.548) 5.897 5.012 ( 4.173 3.254 1.840) 5.602 5.157 ( 2.935 -5.008 -1.434) 5.979 5.242 ( 2.227 -2.801 -0.875) 3.684 5.364 ( -3.368 3.961 -0.140) 5.201 5.521 ( 2.354 -3.300 -0.806) 4.133 5.671 ( -0.884 0.091 4.548) 4.634 5.694 ( 0.741 -4.322 -1.796) 4.739 5.992 ( 1.504 5.009 -1.408) 5.416 6.155 ( -4.280 -3.632 5.713) 8.009 6.252 ( 5.852 -0.272 -12.477) 13.784 6.703 ( -1.465 -0.135 4.053) 4.311 6.757 ( 2.698 -2.443 -0.056) 3.640 6.971 ( 0.882 -0.126 4.810) 4.892 7.019 ( 0.430 3.852 4.056) 5.610 7.250 ( 0.636 5.632 -4.346) 7.143 7.350 ( 1.453 -0.182 -1.676) 2.226 7.526 ( -0.164 4.603 -5.748) 7.366 7.787 ( -6.118 -1.812 2.882) 7.001 7.885 ( -0.953 -0.619 7.306) 7.394 7.974 ( -1.608 -2.469 -1.351) 3.241 8.160 ( -0.315 1.157 -0.503) 1.301 8.259 ( -2.335 3.437 -1.567) 4.441 9.457 ( 0.005 2.334 2.952) 3.764 9.518 ( 1.501 2.928 0.610) 3.346 9.732 ( 2.538 0.340 -5.718) 6.265 9.829 ( 0.105 -3.651 -1.961) 4.146 9.927 ( -3.310 -0.752 -0.831) 3.495 9.958 ( -1.120 -2.365 -1.227) 2.890 9.987 ( -1.195 3.330 0.222) 3.544 10.201 ( -0.294 -1.953 -1.126) 2.273 10.269 ( 0.427 -1.556 2.468) 2.949 10.332 ( 0.392 -2.590 1.525) 3.031 10.721 ( -0.248 -7.893 2.441) 8.265 10.784 ( 0.664 -7.710 -1.180) 7.828 12.428 ( 3.232 1.876 -0.612) 3.787 12.492 ( 3.838 2.675 0.112) 4.679 12.616 ( -0.607 -0.509 0.901) 1.200 12.666 ( -0.621 0.083 -0.693) 0.934 13.866 ( -1.697 0.652 1.027) 2.088 13.917 ( -0.570 -0.161 -2.617) 2.683 14.018 ( -1.722 -2.927 2.850) 4.433 14.239 ( 0.908 -4.383 0.120) 4.478 14.708 ( 0.880 -3.074 -1.500) 3.531 14.875 ( -1.617 -2.714 2.406) 3.971 14.993 ( -3.398 4.712 -1.565) 6.017 15.012 ( -3.018 1.059 0.461) 3.232 15.300 ( 1.071 -0.264 0.834) 1.383 15.392 ( -1.253 0.807 -1.379) 2.030 15.511 ( -0.092 5.044 -2.380) 5.578 15.665 ( -4.564 0.400 2.892) 5.418 15.795 ( 2.058 -0.983 -0.124) 2.284 15.900 ( 0.891 2.864 0.562) 3.051 15.980 ( 1.472 0.039 0.760) 1.657 16.007 ( -0.304 2.000 -0.994) 2.254 16.535 ( 1.126 0.874 1.376) 1.981 16.609 ( 0.364 -2.549 -0.534) 2.630 16.697 ( -0.237 -2.634 -3.114) 4.085 16.787 ( 2.545 -2.344 2.906) 4.519 17.411 ( -0.048 0.312 0.478) 0.573 17.434 ( -1.312 1.091 -1.815) 2.491 17.595 ( -3.174 -1.234 1.223) 3.619 17.612 ( -3.133 -1.059 0.674) 3.375 21.452 ( 1.493 2.412 -0.577) 2.895 21.541 ( 0.921 1.607 0.118) 1.856 21.655 ( -3.247 0.418 -0.968) 3.414 21.740 ( -3.618 -0.264 0.653) 3.686 27.253 ( -4.198 1.815 -2.544) 5.234 27.304 ( -3.868 -0.601 -2.427) 4.606 27.409 ( -7.131 4.540 0.626) 8.477 27.487 ( -6.558 1.509 3.433) 7.554 28.742 ( 0.870 -0.724 -0.240) 1.157 28.750 ( 0.874 -1.113 -0.378) 1.465 28.877 ( -2.446 2.416 -0.412) 3.463 28.883 ( -3.409 2.211 0.979) 4.179 29.831 ( 0.288 -0.242 0.451) 0.588 29.846 ( 0.888 -0.461 -0.822) 1.295 30.116 ( -5.710 -0.452 -0.560) 5.755 30.129 ( -5.769 -0.297 0.408) 5.791 30.606 ( 6.946 2.785 1.675) 7.669 30.751 ( 7.602 1.485 -0.437) 7.758 31.209 ( 1.324 -3.215 4.588) 5.757 31.315 ( 2.614 -4.038 -3.360) 5.868 31.553 ( 2.462 1.975 -1.640) 3.557 31.627 ( 2.821 0.147 2.020) 3.473 31.761 ( 3.501 5.749 -0.985) 6.803 32.134 ( -3.774 1.263 -8.203) 9.117 32.281 ( 7.681 -2.278 7.175) 10.755 32.582 ( 3.321 5.699 -1.339) 6.730 33.015 ( 5.837 -6.267 4.392) 9.624 33.159 ( 7.561 -0.393 -1.963) 7.821 33.330 ( -3.235 7.921 1.733) 8.730 33.685 ( -5.894 0.756 -1.397) 6.104 33.978 ( 2.633 -9.871 -0.894) 10.256 34.144 ( 1.776 -3.608 -0.310) 4.033 ======================= Grid point 92 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 7.154 -2.313 -1.837) 7.740 1.669 ( 10.624 1.842 1.250) 10.855 1.820 ( -0.171 -0.473 -1.147) 1.252 1.926 ( 1.694 1.806 5.612) 6.134 2.070 ( 6.023 2.583 4.944) 8.210 2.129 ( 9.445 1.728 2.971) 10.051 2.234 ( 4.694 -2.331 -2.604) 5.852 2.316 ( 2.883 -2.327 -1.469) 3.985 2.485 ( 1.515 0.591 5.225) 5.472 2.532 ( -6.857 -7.827 3.846) 11.094 2.611 ( 3.304 -0.974 -7.968) 8.680 2.752 ( 0.395 2.498 -0.910) 2.688 2.828 ( -2.860 2.875 1.552) 4.342 2.859 ( 0.347 5.997 0.742) 6.053 2.937 ( 1.593 -0.122 -3.451) 3.803 2.980 ( 4.987 -0.971 4.559) 6.826 3.087 ( 2.253 1.039 -1.997) 3.185 3.115 ( 2.535 -0.772 0.713) 2.744 3.320 ( -4.307 -5.294 1.214) 6.932 3.385 ( -8.654 2.082 -0.619) 8.922 3.441 ( -3.029 1.669 -7.006) 7.813 3.552 ( 3.853 1.452 -0.550) 4.154 3.617 ( -5.784 -0.138 -0.808) 5.842 3.645 ( 2.921 3.742 0.589) 4.783 3.701 ( -4.848 -1.305 2.194) 5.479 3.780 ( -4.751 1.865 -2.823) 5.832 3.956 ( 1.786 2.291 3.999) 4.943 4.070 ( 6.791 0.452 -1.780) 7.035 4.138 ( 6.978 2.496 -2.427) 7.798 4.225 ( 6.942 -1.450 0.565) 7.114 4.334 ( 8.335 -0.685 -0.444) 8.375 4.372 ( -2.589 0.212 1.510) 3.005 4.489 ( 0.251 2.853 -0.737) 2.958 4.532 ( -0.349 0.491 1.328) 1.458 4.623 ( 1.230 4.836 -2.266) 5.480 4.691 ( 3.140 1.706 -2.992) 4.661 4.960 ( 0.593 0.944 3.339) 3.520 4.974 ( 2.597 -2.823 1.232) 4.029 5.080 ( 0.396 5.000 1.786) 5.324 5.188 ( 2.488 -7.261 -2.208) 7.987 5.351 ( 3.233 0.903 -0.965) 3.492 5.366 ( 10.904 -3.278 -0.140) 11.387 5.522 ( -0.201 1.715 -3.632) 4.022 5.679 ( -1.045 -3.248 0.952) 3.542 5.743 ( 2.343 -1.253 5.379) 5.999 5.994 ( -2.171 1.675 0.428) 2.775 6.074 ( -8.426 -1.523 4.842) 9.837 6.235 ( 3.841 0.142 -11.530) 12.153 6.727 ( 0.835 2.774 3.390) 4.459 6.822 ( 3.318 -1.441 1.054) 3.768 6.996 ( -1.137 0.185 1.876) 2.201 7.037 ( -1.886 2.227 4.068) 5.006 7.236 ( 1.274 6.641 -2.870) 7.346 7.350 ( 1.704 1.075 -5.490) 5.848 7.512 ( 2.085 0.501 -2.760) 3.495 7.705 ( -5.209 -0.901 1.817) 5.590 7.897 ( -2.175 -2.295 4.517) 5.513 7.934 ( -2.235 0.843 1.464) 2.801 8.162 ( -0.145 -0.114 0.827) 0.847 8.206 ( -1.307 4.790 -1.937) 5.329 9.480 ( 0.150 1.605 2.478) 2.956 9.573 ( 2.059 2.133 3.140) 4.318 9.724 ( 0.829 1.718 -3.787) 4.240 9.809 ( 0.372 -4.545 -4.188) 6.191 9.886 ( -0.508 -1.355 0.924) 1.717 9.925 ( -0.577 -1.815 -0.534) 1.978 9.978 ( -1.273 2.284 2.040) 3.316 10.187 ( 0.038 -2.599 -0.812) 2.723 10.274 ( -0.541 -1.299 -1.189) 1.842 10.340 ( -0.577 -1.976 -0.494) 2.117 10.728 ( -0.498 -8.532 1.372) 8.656 10.789 ( 0.529 -7.515 -0.958) 7.595 12.477 ( 2.391 1.284 -0.097) 2.715 12.555 ( 2.307 1.668 0.193) 2.854 12.610 ( -0.231 -0.067 0.323) 0.403 12.647 ( -1.081 1.093 0.171) 1.546 13.851 ( -0.793 -0.044 0.837) 1.154 13.900 ( 0.617 0.108 -2.238) 2.324 14.016 ( -1.215 -2.671 3.629) 4.667 14.243 ( 0.127 -4.934 -1.674) 5.212 14.741 ( 3.047 -1.026 -0.190) 3.221 14.857 ( -1.876 1.582 1.121) 2.698 14.939 ( -0.666 0.475 -2.044) 2.202 14.949 ( -3.821 1.426 0.242) 4.085 15.320 ( 0.610 0.610 0.040) 0.864 15.372 ( 0.223 -0.691 0.050) 0.728 15.511 ( 0.910 4.424 -0.755) 4.579 15.595 ( -4.244 1.479 0.869) 4.577 15.830 ( 1.579 -0.225 0.060) 1.596 15.909 ( -0.267 0.211 0.083) 0.350 15.996 ( 0.897 0.939 -0.519) 1.398 16.018 ( 0.510 0.784 0.701) 1.169 16.583 ( 1.985 0.751 1.429) 2.558 16.605 ( 0.336 -0.575 -0.919) 1.135 16.661 ( -1.237 -2.320 -0.931) 2.790 16.828 ( 0.297 -2.427 0.748) 2.557 17.397 ( -0.523 0.774 -0.744) 1.194 17.420 ( -0.049 0.500 -0.093) 0.511 17.553 ( -2.062 -1.315 0.612) 2.522 17.566 ( -2.117 -1.270 0.236) 2.480 21.490 ( 2.704 1.039 -0.163) 2.902 21.564 ( 1.530 1.489 0.104) 2.137 21.599 ( -2.234 -0.066 -0.623) 2.320 21.674 ( -3.877 0.210 0.314) 3.895 27.186 ( -1.648 1.583 -0.173) 2.291 27.232 ( -1.496 0.309 -1.299) 2.006 27.319 ( -3.677 2.771 0.324) 4.615 27.402 ( -4.552 0.744 0.791) 4.680 28.758 ( 0.844 -0.226 0.066) 0.876 28.761 ( 0.806 -0.519 -0.755) 1.221 28.832 ( -1.651 1.935 -0.392) 2.574 28.844 ( -1.990 1.560 1.037) 2.732 29.852 ( 1.423 -0.613 0.443) 1.611 29.870 ( 2.317 -0.823 -0.855) 2.603 30.020 ( -3.976 -0.721 -0.507) 4.073 30.034 ( -4.933 -0.819 0.699) 5.049 30.740 ( 5.561 2.403 1.806) 6.321 30.861 ( 4.828 1.781 -1.380) 5.327 31.200 ( -3.981 -1.703 3.080) 5.314 31.333 ( 1.854 -2.565 -2.739) 4.185 31.628 ( 3.678 0.701 3.157) 4.898 31.688 ( 1.472 -1.191 2.027) 2.774 31.835 ( 5.068 4.714 -0.652) 6.952 31.990 ( -4.460 1.142 -6.900) 8.295 32.397 ( 1.761 0.018 2.126) 2.760 32.608 ( 1.658 7.922 -3.957) 9.009 33.138 ( 2.040 -4.763 6.586) 8.380 33.238 ( 2.762 2.508 -1.249) 3.934 33.352 ( 3.397 6.146 1.596) 7.202 33.571 ( -4.963 -1.321 -1.270) 5.290 34.014 ( 1.228 -11.127 0.475) 11.205 34.160 ( 1.107 -4.500 -2.114) 5.093 ======================= Grid point 93 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 2.818 -1.194 1.792) 3.546 1.756 ( -1.355 2.025 -3.215) 4.034 1.851 ( 2.458 -1.519 4.282) 5.166 1.922 ( -4.431 2.568 1.728) 5.405 2.142 ( -0.687 0.474 3.068) 3.179 2.210 ( -1.019 1.945 -1.120) 2.465 2.361 ( 3.314 -7.182 3.323) 8.580 2.379 ( 4.236 -3.579 2.514) 6.089 2.429 ( -6.584 -5.731 5.671) 10.409 2.536 ( -1.664 -1.711 0.549) 2.449 2.587 ( -0.218 2.365 -2.976) 3.807 2.747 ( -1.412 5.054 -0.579) 5.279 2.785 ( 1.313 1.549 -1.485) 2.516 2.841 ( -2.164 3.487 0.700) 4.163 2.923 ( -1.125 8.778 -3.565) 9.541 3.040 ( 5.078 0.053 -7.574) 9.119 3.103 ( -0.756 -3.746 2.196) 4.408 3.206 ( -2.030 -3.163 -0.010) 3.758 3.226 ( 1.020 0.754 5.780) 5.918 3.366 ( 3.888 0.577 0.331) 3.945 3.406 ( 1.550 3.342 1.726) 4.068 3.531 ( -5.702 1.143 -4.825) 7.557 3.541 ( 1.645 -0.743 0.496) 1.872 3.636 ( -0.474 -2.047 -0.548) 2.171 3.704 ( -0.084 -1.263 0.373) 1.319 3.745 ( 6.904 5.947 -2.575) 9.469 4.016 ( 0.144 1.950 5.966) 6.278 4.158 ( 3.501 0.888 -1.844) 4.055 4.170 ( -2.217 -1.599 -2.075) 3.432 4.259 ( -0.422 0.030 -0.964) 1.053 4.343 ( -3.992 -0.331 3.057) 5.039 4.438 ( 1.079 -0.153 -0.958) 1.451 4.472 ( 0.325 2.030 0.978) 2.276 4.495 ( -4.298 0.999 0.532) 4.444 4.636 ( 3.257 3.554 -5.974) 7.676 4.694 ( 0.265 1.286 -4.253) 4.451 4.981 ( -1.509 3.828 4.960) 6.445 5.024 ( -1.237 -4.921 1.046) 5.181 5.073 ( 0.980 7.788 1.581) 8.007 5.210 ( 1.733 -8.232 -3.105) 8.967 5.427 ( 3.630 -2.114 -0.977) 4.313 5.456 ( -3.785 1.295 -3.961) 5.630 5.573 ( 5.573 -2.676 -0.270) 6.188 5.621 ( -2.247 -1.481 -2.123) 3.428 5.806 ( -3.924 -1.046 8.262) 9.206 5.873 ( -7.672 -0.267 3.249) 8.336 6.024 ( 1.319 2.607 0.823) 3.035 6.269 ( 8.057 -1.480 -8.122) 11.535 6.767 ( -0.312 3.584 4.420) 5.699 6.866 ( -0.386 -0.904 0.774) 1.251 6.967 ( -2.066 1.580 0.869) 2.742 7.026 ( -1.401 3.922 2.197) 4.709 7.240 ( 0.001 2.795 -1.894) 3.376 7.338 ( 2.847 3.427 -6.921) 8.231 7.555 ( 2.553 -2.113 1.071) 3.483 7.617 ( -3.787 -1.929 -1.094) 4.389 7.889 ( -2.955 -0.191 4.255) 5.183 7.936 ( 2.384 2.160 1.403) 3.509 8.149 ( -1.254 -0.583 0.338) 1.424 8.199 ( 1.458 4.143 -1.221) 4.559 9.497 ( -0.836 0.512 3.051) 3.205 9.597 ( -1.301 2.183 1.492) 2.947 9.728 ( 1.691 2.257 -3.010) 4.125 9.803 ( 1.690 -4.214 -0.223) 4.546 9.896 ( 2.108 -1.312 -1.565) 2.935 9.936 ( -0.919 -0.535 0.823) 1.345 9.990 ( 1.330 0.524 5.022) 5.222 10.190 ( 0.171 0.232 -1.585) 1.611 10.227 ( -2.313 -3.885 -2.264) 5.057 10.309 ( -0.632 -2.050 -3.329) 3.960 10.726 ( -0.890 -8.571 1.204) 8.701 10.787 ( 0.388 -7.904 -1.341) 8.026 12.512 ( 0.849 0.586 0.709) 1.252 12.559 ( -0.337 1.170 -1.354) 1.820 12.615 ( -2.181 1.420 1.451) 2.979 12.643 ( 1.844 0.744 0.091) 1.991 13.845 ( -0.565 0.110 0.729) 0.929 13.901 ( 1.254 -0.421 -2.116) 2.496 14.029 ( -0.812 -2.497 4.809) 5.479 14.219 ( -0.414 -4.703 -3.472) 5.860 14.789 ( 0.529 1.130 0.861) 1.515 14.830 ( -0.583 1.318 -0.849) 1.672 14.898 ( -1.039 0.063 0.405) 1.117 14.935 ( 1.235 0.797 -1.169) 1.878 15.337 ( 0.758 0.884 1.034) 1.557 15.378 ( -0.154 -1.539 -0.016) 1.546 15.523 ( 0.792 3.820 -0.015) 3.901 15.542 ( -1.330 2.409 -0.388) 2.779 15.851 ( 0.251 0.196 0.689) 0.759 15.894 ( -0.624 -0.854 -1.027) 1.474 16.011 ( 0.708 0.870 0.359) 1.178 16.022 ( -0.341 0.862 -0.094) 0.932 16.583 ( -1.669 0.196 -0.595) 1.783 16.603 ( 0.365 -0.385 -1.042) 1.169 16.693 ( 2.684 -1.430 3.497) 4.634 16.811 ( -1.657 -2.018 -1.624) 3.075 17.397 ( 0.651 0.705 0.154) 0.971 17.416 ( -0.073 0.340 -0.528) 0.632 17.532 ( -0.430 -1.427 0.377) 1.537 17.544 ( -0.236 -1.273 -0.054) 1.296 21.530 ( -0.053 -0.053 0.601) 0.605 21.565 ( 0.192 0.511 -0.828) 0.992 21.593 ( -0.509 0.624 0.615) 1.013 21.621 ( 0.528 0.986 -0.533) 1.239 27.190 ( 1.314 1.761 1.713) 2.786 27.244 ( 2.577 0.518 1.684) 3.121 27.269 ( -1.425 1.803 -1.440) 2.712 27.334 ( -2.303 0.559 -1.947) 3.067 28.764 ( -0.376 0.222 -0.243) 0.500 28.771 ( 0.838 0.286 -0.716) 1.139 28.817 ( -0.831 1.111 0.772) 1.588 28.826 ( 0.305 1.224 0.231) 1.283 29.871 ( -0.579 -0.687 0.523) 1.040 29.907 ( 1.435 -1.139 -1.032) 2.102 29.967 ( -1.752 -0.766 0.635) 2.015 29.984 ( 1.011 -0.969 -0.138) 1.407 30.806 ( -0.584 2.228 1.673) 2.847 30.897 ( 0.140 1.988 -1.740) 2.646 31.169 ( -1.156 -0.595 3.326) 3.571 31.338 ( 1.171 -2.301 -3.055) 4.000 31.691 ( -0.245 -0.182 3.209) 3.223 31.705 ( -1.259 -1.106 3.153) 3.571 31.845 ( -2.148 4.106 -3.686) 5.921 31.974 ( 6.015 -1.445 -2.680) 6.742 32.405 ( -1.680 3.120 1.504) 3.849 32.585 ( 0.089 8.665 -5.609) 10.322 33.168 ( -2.922 0.278 5.156) 5.933 33.293 ( 2.394 1.824 0.906) 3.143 33.387 ( -1.514 3.465 0.574) 3.825 33.524 ( 1.690 -3.260 -0.774) 3.752 34.013 ( -2.820 -10.716 1.992) 11.259 34.168 ( 2.726 -5.142 -3.802) 6.952 ======================= Grid point 95 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -9.588 0.499 -5.639) 11.135 1.668 ( -2.367 -0.826 3.619) 4.403 1.814 ( -7.224 3.724 1.643) 8.292 1.926 ( -0.720 -0.511 5.197) 5.272 2.072 ( -7.744 -1.767 2.650) 8.373 2.169 ( -6.401 -0.196 2.591) 6.908 2.270 ( -9.166 -1.017 1.859) 9.407 2.388 ( -4.628 -5.871 -0.585) 7.498 2.405 ( -1.329 0.657 0.136) 1.489 2.508 ( -0.876 -4.455 2.433) 5.152 2.584 ( 2.272 -0.711 -2.954) 3.794 2.730 ( -1.515 6.381 -1.708) 6.778 2.770 ( -0.355 -2.396 -2.518) 3.494 2.832 ( -1.642 4.706 1.626) 5.243 2.930 ( 3.377 3.626 1.895) 5.305 3.068 ( 0.324 -3.723 -2.810) 4.675 3.118 ( -0.747 -3.165 -3.388) 4.696 3.170 ( 5.385 -0.676 1.614) 5.662 3.316 ( -0.531 3.838 9.873) 10.606 3.349 ( -5.148 3.398 -6.803) 9.183 3.410 ( 5.079 2.811 -2.098) 6.172 3.570 ( 7.573 1.509 0.982) 7.784 3.602 ( -0.574 -2.108 -2.361) 3.217 3.672 ( 2.459 -1.046 -0.856) 2.806 3.709 ( 5.067 -0.213 -1.214) 5.215 3.892 ( 9.105 6.213 -1.819) 11.172 4.021 ( -7.337 -0.346 -0.346) 7.353 4.027 ( -9.196 1.634 5.843) 11.017 4.130 ( -4.553 1.812 -1.234) 5.054 4.227 ( -3.451 3.402 -0.986) 4.945 4.285 ( -1.382 -3.076 -2.822) 4.397 4.412 ( -4.345 -1.550 3.089) 5.552 4.440 ( 1.666 3.124 1.191) 3.736 4.476 ( -2.297 -0.918 -1.881) 3.108 4.628 ( -0.251 3.148 -2.885) 4.277 4.652 ( -1.299 1.700 -2.647) 3.403 4.952 ( -5.662 2.460 0.146) 6.175 4.970 ( -4.518 -1.171 5.451) 7.176 5.149 ( 3.656 4.073 2.219) 5.906 5.193 ( -1.104 -5.932 -3.328) 6.891 5.330 ( -5.850 -1.769 -0.538) 6.135 5.379 ( -5.659 3.359 -2.060) 6.896 5.518 ( -1.260 -5.193 -1.797) 5.638 5.638 ( -3.648 -2.407 1.356) 4.576 5.720 ( -4.052 -0.533 4.175) 5.842 5.906 ( 2.519 -0.826 1.417) 3.006 6.066 ( 2.250 4.030 -0.923) 4.707 6.372 ( 8.168 -4.626 -7.093) 11.766 6.769 ( -4.130 1.568 5.929) 7.394 6.814 ( -3.545 -0.098 -1.146) 3.727 6.965 ( -0.807 3.476 4.361) 5.635 7.036 ( 0.572 4.380 2.931) 5.301 7.186 ( -1.943 0.228 -5.494) 5.832 7.359 ( 3.366 5.218 -3.915) 7.341 7.507 ( -4.050 -3.609 -2.135) 5.830 7.667 ( 5.457 -0.026 2.048) 5.828 7.883 ( -0.169 -0.917 2.865) 3.013 8.013 ( 3.314 2.753 2.521) 4.991 8.140 ( 0.427 -1.150 -0.023) 1.226 8.225 ( 2.224 3.389 -1.315) 4.262 9.492 ( -2.169 -0.460 3.478) 4.125 9.588 ( -0.453 4.007 1.311) 4.241 9.725 ( 0.239 0.448 -1.236) 1.337 9.823 ( 0.519 -1.451 -4.491) 4.748 9.908 ( 0.150 -0.568 -1.975) 2.061 9.956 ( 3.269 -0.186 1.597) 3.643 10.063 ( -0.475 -2.011 3.296) 3.890 10.105 ( -1.947 0.815 -3.001) 3.669 10.242 ( 2.010 -2.669 1.937) 3.862 10.274 ( -0.289 -2.942 -3.307) 4.435 10.713 ( -1.339 -8.416 1.211) 8.607 10.789 ( 0.844 -8.168 -0.793) 8.250 12.500 ( -2.030 0.913 -0.068) 2.227 12.561 ( -1.443 0.741 -0.318) 1.653 12.572 ( -0.674 2.032 0.788) 2.281 12.676 ( 1.166 0.039 0.188) 1.182 13.842 ( -0.157 0.498 0.548) 0.757 13.912 ( 1.522 -1.119 -1.971) 2.730 14.059 ( -0.534 -2.701 5.810) 6.429 14.184 ( -0.095 -3.978 -3.842) 5.531 14.769 ( -1.866 0.544 -0.342) 1.973 14.819 ( -0.588 0.760 0.962) 1.360 14.923 ( 2.816 0.040 -1.073) 3.014 14.961 ( 2.311 2.152 -0.400) 3.183 15.330 ( -1.805 -0.553 0.321) 1.915 15.386 ( 0.762 0.636 -0.292) 1.035 15.523 ( 0.090 3.056 -1.590) 3.446 15.565 ( 2.887 2.331 1.759) 4.107 15.837 ( -2.037 -1.143 0.086) 2.338 15.890 ( 0.688 0.703 0.050) 0.985 15.997 ( -1.620 0.958 -0.343) 1.913 16.036 ( 1.266 1.229 0.532) 1.843 16.550 ( -1.485 0.339 0.720) 1.685 16.602 ( -0.038 -1.202 -0.766) 1.426 16.751 ( -2.646 -1.510 -2.888) 4.198 16.768 ( 2.207 -1.744 3.255) 4.302 17.400 ( -0.405 -0.003 -0.719) 0.825 17.426 ( 1.655 1.077 -0.207) 1.985 17.546 ( 1.374 -1.770 0.875) 2.406 17.558 ( 1.756 -1.078 0.064) 2.062 21.499 ( -2.222 0.745 -0.116) 2.346 21.532 ( -2.831 1.909 -0.129) 3.417 21.625 ( 3.589 -0.781 -0.529) 3.711 21.672 ( 3.412 0.529 0.407) 3.476 27.240 ( 0.782 1.034 -1.438) 1.936 27.263 ( 3.096 2.448 1.732) 4.310 27.289 ( 1.092 0.946 -3.350) 3.648 27.350 ( 6.264 1.065 2.697) 6.903 28.750 ( -0.631 -0.219 -0.390) 0.774 28.772 ( -0.511 -0.028 -0.419) 0.662 28.815 ( 0.718 2.040 0.306) 2.184 28.855 ( 2.012 1.236 0.461) 2.406 29.844 ( -2.009 -0.592 0.195) 2.104 29.878 ( -2.216 -1.076 -0.622) 2.541 30.010 ( 4.502 -0.487 -0.084) 4.529 30.046 ( 4.814 -1.027 0.286) 4.931 30.753 ( -6.052 2.514 2.587) 7.045 30.837 ( -4.815 2.040 -2.171) 5.662 31.191 ( -0.311 -1.151 2.833) 3.074 31.342 ( 2.022 -2.859 -2.535) 4.324 31.664 ( -3.147 0.798 1.765) 3.695 31.726 ( -1.491 0.508 6.586) 6.772 31.788 ( -1.371 2.305 -2.126) 3.422 32.005 ( 0.398 -4.001 -9.955) 10.737 32.397 ( -1.104 6.267 5.755) 8.580 32.534 ( -0.920 7.275 -5.442) 9.132 33.132 ( -5.093 0.438 4.702) 6.945 33.258 ( -4.378 5.721 -2.325) 7.570 33.413 ( 1.445 -4.191 6.055) 7.504 33.572 ( 4.266 -0.666 -3.584) 5.612 33.942 ( -5.288 -8.175 0.041) 9.736 34.206 ( 3.498 -6.760 -1.585) 7.775 ======================= Grid point 96 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -15.846 1.442 -4.311) 16.485 1.572 ( -17.299 4.878 -4.957) 18.645 1.690 ( -0.578 -1.588 6.919) 7.123 1.882 ( -8.321 2.730 9.580) 12.979 1.962 ( -5.693 -6.702 2.140) 9.050 2.062 ( -3.796 1.609 0.499) 4.153 2.142 ( -6.434 -0.040 -4.577) 7.896 2.267 ( -8.231 -2.593 2.272) 8.924 2.396 ( 1.100 0.647 -5.267) 5.419 2.444 ( -5.597 -2.083 0.565) 5.998 2.595 ( -1.066 0.139 -1.256) 1.653 2.683 ( -2.522 -0.053 -2.266) 3.391 2.748 ( -1.923 0.178 1.178) 2.262 2.779 ( -5.202 1.261 2.370) 5.854 2.952 ( -5.637 -5.282 0.560) 7.745 3.008 ( -1.992 -2.759 1.515) 3.725 3.133 ( -15.584 5.210 -4.400) 17.011 3.155 ( 2.277 -0.360 -0.744) 2.422 3.267 ( 3.837 -2.525 -2.177) 5.083 3.401 ( 3.262 3.995 5.200) 7.324 3.462 ( -2.929 1.305 -4.126) 5.226 3.550 ( 4.632 4.526 3.039) 7.153 3.636 ( -0.826 0.303 -0.094) 0.885 3.698 ( 0.935 -0.828 -1.367) 1.851 3.790 ( -2.805 2.811 1.523) 4.253 3.819 ( -7.103 1.659 -3.528) 8.103 3.925 ( -1.941 6.048 -2.130) 6.700 3.992 ( 0.111 4.006 -2.552) 4.751 4.082 ( -0.145 0.611 0.841) 1.050 4.163 ( -3.200 -1.722 -1.140) 3.808 4.205 ( -0.747 -0.946 -1.710) 2.092 4.362 ( -5.842 1.717 3.090) 6.828 4.394 ( -2.711 -4.596 2.248) 5.790 4.505 ( 2.383 3.678 -2.494) 5.042 4.600 ( -2.349 4.804 -0.100) 5.348 4.620 ( 0.822 1.041 -1.013) 1.669 4.829 ( -5.167 -1.527 -0.817) 5.450 4.925 ( -5.014 -2.108 6.225) 8.266 5.155 ( -0.032 -1.391 -0.524) 1.487 5.182 ( -2.000 -0.947 3.793) 4.391 5.308 ( -0.299 2.838 -2.257) 3.638 5.320 ( 6.046 5.406 -5.084) 9.572 5.474 ( -3.194 -8.078 1.908) 8.894 5.571 ( -5.050 -4.482 2.251) 7.117 5.696 ( -0.232 1.537 -0.348) 1.593 5.914 ( -2.530 -2.134 1.153) 3.505 6.085 ( 1.133 4.923 -2.367) 5.579 6.430 ( 4.171 -5.056 -7.540) 9.990 6.712 ( -5.835 -1.385 5.366) 8.048 6.763 ( -1.245 -1.050 0.528) 1.713 6.987 ( -1.237 5.606 5.577) 8.003 7.084 ( 0.909 1.423 3.783) 4.143 7.116 ( -1.279 1.728 -3.506) 4.113 7.370 ( -2.489 2.523 0.413) 3.568 7.435 ( 2.030 -1.911 -7.546) 8.045 7.793 ( 5.979 3.927 2.455) 7.563 7.929 ( 2.760 -4.665 2.109) 5.817 8.072 ( 0.446 1.985 3.588) 4.125 8.169 ( 2.973 -1.079 -1.563) 3.528 8.254 ( 1.911 2.738 -1.775) 3.781 9.483 ( -1.871 -0.160 3.969) 4.391 9.594 ( 0.468 4.889 -0.051) 4.912 9.718 ( -0.695 0.763 -2.087) 2.328 9.758 ( -2.241 1.350 -2.580) 3.674 9.878 ( -1.129 -1.595 -8.378) 8.603 9.989 ( 0.617 -1.725 0.666) 1.949 10.046 ( 1.506 0.139 2.144) 2.623 10.139 ( 1.090 -1.907 1.670) 2.759 10.250 ( 0.436 -2.902 -2.108) 3.613 10.308 ( 1.983 -1.158 3.635) 4.299 10.702 ( -1.019 -8.478 1.676) 8.702 10.802 ( 0.873 -7.867 -0.503) 7.932 12.454 ( -2.475 1.297 -0.704) 2.881 12.491 ( -4.345 2.630 0.164) 5.082 12.603 ( 1.717 -0.251 0.608) 1.838 12.683 ( -0.277 -0.346 -0.372) 0.578 13.855 ( 1.143 0.554 0.660) 1.432 13.925 ( 1.639 -1.294 -1.939) 2.850 14.091 ( -0.485 -3.310 4.459) 5.574 14.169 ( 1.134 -2.937 -1.681) 3.569 14.724 ( -1.684 -1.055 -2.494) 3.189 14.844 ( 1.334 1.048 4.003) 4.348 14.956 ( 2.048 0.258 -1.875) 2.788 15.013 ( 3.324 3.269 0.072) 4.663 15.305 ( -1.095 -0.563 0.752) 1.443 15.384 ( -0.138 2.057 -1.066) 2.321 15.512 ( 0.632 3.625 -2.672) 4.547 15.648 ( 3.301 1.113 2.904) 4.535 15.793 ( -2.292 -0.955 -0.127) 2.486 15.902 ( -0.229 2.811 0.574) 2.879 15.961 ( -1.817 0.711 0.005) 1.951 16.074 ( 2.839 0.382 -0.119) 2.867 16.544 ( -0.283 -0.315 1.734) 1.785 16.575 ( -2.505 -1.509 -0.889) 3.057 16.685 ( -1.886 -1.637 -2.246) 3.358 16.818 ( 0.842 -2.444 2.112) 3.338 17.386 ( -0.382 0.087 -0.529) 0.658 17.458 ( 2.194 1.593 -1.087) 2.921 17.594 ( 2.631 -2.129 1.668) 3.773 17.605 ( 2.884 -0.834 0.434) 3.033 21.458 ( -1.737 2.064 -1.170) 2.940 21.486 ( -2.155 1.964 0.558) 2.969 21.688 ( 3.923 -0.445 -1.127) 4.106 21.741 ( 3.397 0.089 0.930) 3.524 27.247 ( 1.744 0.765 -1.584) 2.477 27.268 ( 1.534 0.433 -3.571) 3.911 27.401 ( 7.979 5.782 1.954) 10.046 27.512 ( 8.792 1.722 2.256) 9.238 28.736 ( -0.601 -0.797 -0.358) 1.060 28.753 ( -0.897 -0.752 -0.319) 1.213 28.842 ( 1.714 3.213 0.285) 3.652 28.901 ( 2.644 1.770 0.342) 3.200 29.812 ( -1.475 -0.285 0.194) 1.515 29.842 ( -0.976 -0.735 -0.544) 1.337 30.106 ( 5.957 -0.073 -0.157) 5.960 30.145 ( 5.398 -0.679 -0.002) 5.440 30.650 ( -7.386 2.626 3.515) 8.591 30.706 ( -6.926 2.182 -2.347) 7.632 31.170 ( -4.169 -1.813 2.436) 5.158 31.370 ( 1.906 -5.463 -1.161) 5.901 31.604 ( -4.973 2.946 1.037) 5.873 31.695 ( -3.548 2.713 0.061) 4.467 31.827 ( 1.955 0.028 4.005) 4.457 31.839 ( -6.805 -1.165 -8.524) 10.969 32.437 ( -0.800 4.148 3.862) 5.723 32.469 ( -1.743 4.646 -3.004) 5.801 33.046 ( -7.426 -2.348 2.911) 8.315 33.156 ( -5.449 2.766 -0.426) 6.126 33.482 ( 1.394 -3.887 3.078) 5.150 33.625 ( 4.851 1.460 -2.787) 5.782 33.847 ( -3.614 -4.299 -1.208) 5.745 34.265 ( 3.492 -7.719 -0.390) 8.481 ======================= Grid point 97 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -18.717 6.585 0.013) 19.841 1.128 ( -23.165 8.346 -5.659) 25.265 1.791 ( -0.511 -1.729 2.679) 3.229 1.794 ( -7.554 1.673 6.830) 10.321 1.835 ( -6.663 -5.647 0.773) 8.769 1.933 ( -13.626 9.174 -1.459) 16.491 2.012 ( -1.875 -0.483 -1.342) 2.355 2.180 ( -3.922 -1.984 6.363) 7.734 2.290 ( -14.264 0.244 2.870) 14.552 2.316 ( -4.551 1.361 -11.177) 12.144 2.492 ( -14.515 1.122 -2.511) 14.774 2.555 ( -3.091 6.637 0.699) 7.355 2.635 ( -7.999 -0.335 -1.410) 8.129 2.731 ( -6.957 -4.886 5.171) 9.951 2.780 ( -7.669 -0.301 1.077) 7.750 2.867 ( -3.132 -4.126 -0.643) 5.220 3.038 ( 0.618 -4.668 -0.922) 4.798 3.091 ( -10.278 -3.211 0.719) 10.792 3.288 ( 1.913 -1.895 -6.327) 6.876 3.432 ( -6.845 1.340 -0.862) 7.028 3.451 ( -3.413 4.178 1.875) 5.711 3.478 ( 1.363 0.114 -3.144) 3.429 3.599 ( -7.426 2.947 2.269) 8.306 3.626 ( -5.100 4.413 1.523) 6.914 3.714 ( -1.438 2.370 -5.919) 6.536 3.810 ( 6.712 4.931 2.894) 8.817 3.907 ( 0.837 -2.036 -1.707) 2.786 4.025 ( 3.997 1.820 -2.647) 5.128 4.080 ( -1.661 -0.715 2.541) 3.119 4.113 ( 2.187 1.096 -0.726) 2.552 4.216 ( -1.265 0.937 -0.857) 1.793 4.291 ( -1.881 3.404 -0.838) 3.978 4.395 ( -2.241 -6.834 4.867) 8.684 4.476 ( -1.440 0.832 -2.415) 2.933 4.549 ( -0.710 0.626 -1.590) 1.851 4.633 ( 0.214 4.371 -1.623) 4.667 4.816 ( 2.900 -0.540 0.108) 2.952 4.879 ( -4.899 1.459 5.959) 7.851 5.144 ( -2.444 -3.087 4.065) 5.659 5.241 ( 5.929 -1.995 -1.954) 6.554 5.260 ( 0.023 4.735 -7.970) 9.271 5.421 ( 4.723 6.038 -1.011) 7.732 5.446 ( -0.559 -8.086 2.506) 8.484 5.501 ( -4.950 -5.617 4.619) 8.797 5.696 ( 0.338 2.804 -1.173) 3.058 5.853 ( -4.580 -2.865 1.784) 5.689 6.081 ( 1.181 5.362 -3.079) 6.294 6.421 ( 1.432 -5.409 -6.723) 8.747 6.677 ( -1.753 -2.876 5.473) 6.427 6.772 ( 0.886 -3.544 1.534) 3.963 7.000 ( -1.731 5.737 4.588) 7.547 7.035 ( -3.417 1.777 -3.982) 5.540 7.158 ( 0.476 1.941 8.738) 8.964 7.271 ( -6.259 -4.801 -2.652) 8.322 7.472 ( 6.576 5.125 -5.991) 10.266 7.913 ( 5.215 5.180 1.301) 7.465 7.997 ( 3.033 -6.114 0.612) 6.853 8.089 ( -1.218 -1.192 2.086) 2.693 8.190 ( 1.012 0.774 -5.243) 5.396 8.272 ( 1.465 1.359 -0.139) 2.003 9.472 ( -3.083 2.191 4.269) 5.704 9.603 ( 1.220 1.819 -3.470) 4.104 9.649 ( 0.010 2.472 -6.828) 7.261 9.742 ( -1.601 0.132 1.595) 2.264 9.807 ( -0.928 -0.245 0.052) 0.961 10.008 ( -0.294 -1.642 0.933) 1.911 10.096 ( 2.531 -0.230 0.703) 2.637 10.154 ( 0.532 -1.948 -0.138) 2.024 10.263 ( 1.782 -1.631 -0.126) 2.419 10.350 ( -0.219 -0.752 1.866) 2.023 10.702 ( -0.648 -8.006 2.096) 8.301 10.810 ( 0.700 -7.700 -1.066) 7.805 12.396 ( -3.189 2.060 -0.892) 3.900 12.415 ( -3.699 2.629 -0.691) 4.590 12.634 ( 1.000 -1.390 0.197) 1.724 12.667 ( -0.684 -0.326 -0.248) 0.797 13.893 ( 2.131 -0.101 0.867) 2.303 13.948 ( 2.604 -0.165 -1.467) 2.993 14.110 ( 0.354 -2.862 1.561) 3.279 14.195 ( 1.708 -2.284 0.110) 2.854 14.681 ( -0.743 -2.892 -1.600) 3.388 14.918 ( 2.079 -2.987 4.447) 5.746 14.981 ( 2.090 2.415 -0.087) 3.195 15.082 ( 4.330 4.569 -0.438) 6.310 15.306 ( 0.571 1.671 1.243) 2.160 15.383 ( 1.039 3.196 -0.060) 3.361 15.510 ( 1.639 4.659 -2.929) 5.742 15.688 ( -1.624 0.110 1.751) 2.391 15.774 ( -0.159 1.317 1.148) 1.755 15.879 ( -1.491 4.399 -0.286) 4.654 15.952 ( 0.177 0.578 1.786) 1.886 16.130 ( 3.959 -2.164 -2.763) 5.291 16.509 ( -3.458 -0.855 0.649) 3.621 16.565 ( 0.535 -1.541 2.088) 2.650 16.644 ( -1.402 -2.555 -1.406) 3.236 16.824 ( -1.272 -3.651 -0.633) 3.918 17.384 ( 0.099 0.788 1.042) 1.310 17.489 ( 2.581 2.041 -2.337) 4.036 17.659 ( 2.769 -1.684 1.526) 3.582 17.665 ( 2.787 -1.188 1.424) 3.348 21.418 ( -1.296 3.476 -1.066) 3.860 21.465 ( -1.075 1.821 1.455) 2.567 21.752 ( 3.999 0.555 -1.281) 4.236 21.805 ( 2.751 0.226 0.728) 2.855 27.281 ( 2.541 0.538 -0.005) 2.598 27.286 ( 2.490 0.628 -0.896) 2.720 27.593 ( 12.101 10.894 0.890) 16.306 27.690 ( 9.094 2.974 0.217) 9.570 28.719 ( -0.902 -0.665 -0.233) 1.145 28.740 ( -0.330 -1.900 -0.285) 1.950 28.879 ( 1.848 4.210 1.079) 4.723 28.960 ( 3.720 3.017 0.260) 4.797 29.796 ( -0.596 0.351 0.860) 1.104 29.838 ( 0.817 -0.148 0.015) 0.830 30.220 ( 6.286 0.515 -0.046) 6.307 30.234 ( 4.169 0.224 -0.037) 4.175 30.543 ( -6.605 2.119 2.469) 7.363 30.569 ( -5.863 2.300 -1.400) 6.451 31.096 ( -5.996 -2.932 4.312) 7.947 31.331 ( -6.599 -8.679 -4.709) 11.876 31.512 ( -2.611 4.038 -1.065) 4.925 31.625 ( -4.903 2.619 -1.772) 5.834 31.649 ( -4.049 4.248 -0.086) 5.870 31.950 ( 3.732 -0.093 7.169) 8.083 32.354 ( -4.814 0.478 -4.742) 6.774 32.462 ( -2.026 1.411 2.055) 3.212 32.915 ( -8.599 -6.976 0.908) 11.109 33.023 ( -8.980 -5.207 -1.416) 10.476 33.504 ( 0.649 0.343 -0.299) 0.793 33.716 ( 4.942 4.580 1.147) 6.835 33.813 ( 1.409 -0.504 -2.019) 2.513 34.316 ( 2.785 -7.956 -2.770) 8.872 ======================= Grid point 98 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -14.066 15.630 8.224) 22.578 0.759 ( -13.933 16.189 8.150) 22.861 1.477 ( -29.969 24.726 17.017) 42.416 1.618 ( -8.836 4.498 -6.322) 11.759 1.724 ( -2.728 0.692 1.264) 3.086 1.910 ( -0.687 -1.749 0.376) 1.917 1.970 ( -2.948 -2.605 -2.379) 4.598 2.018 ( -12.445 4.082 -13.173) 18.576 2.116 ( -3.943 2.354 4.009) 6.096 2.178 ( -3.192 -2.454 9.693) 10.497 2.318 ( -5.197 -4.509 4.422) 8.179 2.462 ( -5.505 10.770 -1.065) 12.142 2.531 ( -2.168 -2.018 -2.022) 3.586 2.631 ( -5.649 -6.432 1.306) 8.659 2.682 ( -4.509 -1.872 -0.228) 4.888 2.854 ( 3.234 0.031 -5.959) 6.780 2.928 ( -6.471 -5.337 2.603) 8.782 3.035 ( 0.332 -5.378 -1.896) 5.712 3.229 ( -6.328 -1.907 -2.540) 7.081 3.262 ( -3.558 0.151 -8.555) 9.266 3.339 ( -5.435 0.987 -3.734) 6.668 3.464 ( -1.166 4.437 -2.476) 5.213 3.523 ( -0.001 1.401 2.996) 3.308 3.671 ( 1.289 2.423 8.202) 8.649 3.693 ( 2.479 0.255 -3.080) 3.962 3.896 ( -0.255 -0.647 3.436) 3.506 3.935 ( 4.384 -1.149 -3.597) 5.786 4.067 ( -1.662 -3.269 -2.276) 4.315 4.084 ( 2.560 0.134 1.333) 2.890 4.136 ( 0.505 0.231 -0.444) 0.711 4.227 ( -0.387 3.204 -1.814) 3.703 4.260 ( 2.013 -1.319 7.830) 8.192 4.399 ( 1.311 -0.656 -2.138) 2.592 4.426 ( -1.191 1.455 -1.978) 2.729 4.555 ( -1.990 2.217 4.327) 5.254 4.606 ( -0.689 1.403 -2.301) 2.782 4.815 ( -3.598 0.822 3.233) 4.906 4.909 ( 3.989 0.947 1.654) 4.421 5.109 ( -5.805 -5.452 3.559) 8.723 5.182 ( -0.487 6.174 -6.833) 9.222 5.316 ( 2.837 -3.430 -3.594) 5.721 5.432 ( -1.928 0.919 1.019) 2.367 5.457 ( -0.517 -5.212 0.771) 5.294 5.528 ( 4.686 1.909 0.667) 5.104 5.672 ( -2.240 3.346 -1.263) 4.220 5.804 ( -2.381 -2.808 3.317) 4.956 6.081 ( 1.044 3.763 -3.854) 5.487 6.417 ( 2.081 -6.503 -1.827) 7.068 6.735 ( 3.808 -2.815 3.900) 6.135 6.798 ( -0.930 -4.494 3.382) 5.701 6.915 ( -6.368 0.342 -1.843) 6.638 6.993 ( -2.007 5.050 1.656) 5.681 7.104 ( -6.754 -3.789 -6.205) 9.924 7.235 ( -0.838 2.033 9.221) 9.480 7.586 ( 9.443 9.049 -1.939) 13.222 7.974 ( 2.002 1.377 -4.992) 5.552 8.027 ( -1.645 -6.781 -2.801) 7.519 8.068 ( -1.359 3.057 1.683) 3.745 8.139 ( 0.174 0.160 -3.575) 3.583 8.297 ( 0.640 0.589 -0.006) 0.870 9.445 ( -3.027 4.129 4.521) 6.830 9.562 ( -0.418 -1.973 -3.357) 3.916 9.655 ( 3.567 5.152 -6.756) 9.215 9.729 ( -0.537 -3.969 2.421) 4.679 9.831 ( 0.192 1.297 4.742) 4.920 9.990 ( -2.451 -0.231 2.359) 3.410 10.119 ( 0.688 -2.560 -2.510) 3.650 10.189 ( 1.425 -0.880 2.672) 3.154 10.307 ( 2.823 1.252 0.081) 3.090 10.325 ( -2.301 -1.508 -1.614) 3.190 10.705 ( -0.747 -7.490 2.081) 7.810 10.810 ( 0.550 -7.895 -1.958) 8.153 12.335 ( -2.309 3.151 -1.248) 4.101 12.343 ( -3.078 3.545 -0.701) 4.747 12.632 ( -0.392 -1.221 -0.166) 1.294 12.670 ( 0.343 -1.162 0.249) 1.237 13.938 ( 1.778 -1.294 1.356) 2.584 13.997 ( 2.884 0.954 -0.557) 3.089 14.132 ( 0.336 -1.635 1.537) 2.270 14.220 ( 2.662 -1.400 -4.092) 5.079 14.694 ( 1.841 -6.344 3.182) 7.332 14.946 ( -0.304 -6.674 -0.593) 6.707 15.037 ( 0.834 1.523 4.584) 4.902 15.155 ( 3.373 0.304 -1.431) 3.676 15.356 ( 4.100 5.065 -1.231) 6.632 15.442 ( 4.283 2.943 1.822) 5.506 15.544 ( 5.531 9.473 -2.670) 11.289 15.647 ( -2.903 0.463 0.480) 2.979 15.759 ( -2.017 4.107 1.295) 4.755 15.877 ( 0.509 2.645 -0.092) 2.695 16.010 ( 4.654 0.595 4.407) 6.437 16.172 ( 4.005 -3.540 -4.065) 6.716 16.460 ( -3.776 -2.299 1.651) 4.719 16.585 ( -0.010 -2.614 0.979) 2.791 16.613 ( -0.340 -1.988 -1.186) 2.340 16.735 ( -6.698 -3.657 -5.677) 9.511 17.404 ( 0.268 1.473 2.169) 2.635 17.515 ( 2.706 2.369 -3.545) 5.050 17.709 ( 1.509 -0.396 0.972) 1.838 17.718 ( 1.034 -2.693 1.540) 3.270 21.414 ( 0.714 3.740 2.739) 4.690 21.465 ( -0.062 2.033 1.602) 2.590 21.815 ( 3.412 1.474 -0.412) 3.740 21.851 ( 1.791 1.300 0.324) 2.237 27.329 ( 2.199 0.588 1.662) 2.818 27.355 ( 2.767 -1.342 4.811) 5.710 27.829 ( 6.238 3.776 -1.203) 7.390 27.878 ( 18.762 14.348 -4.176) 23.986 28.704 ( -0.548 -0.716 0.039) 0.903 28.734 ( -0.090 -2.476 -0.390) 2.509 28.936 ( 2.143 3.950 3.982) 6.004 29.060 ( 8.497 5.676 -1.076) 10.275 29.816 ( 1.351 0.675 3.805) 4.094 29.883 ( 4.258 1.419 1.534) 4.743 30.290 ( 1.271 1.635 1.169) 2.378 30.327 ( 4.782 1.260 0.086) 4.946 30.458 ( -3.330 1.423 0.412) 3.644 30.481 ( -2.624 2.102 -0.649) 3.424 31.024 ( -7.223 -7.930 5.974) 12.278 31.128 ( -6.782 -5.285 -4.534) 9.720 31.491 ( -1.038 0.904 -0.361) 1.423 31.571 ( 0.148 1.339 1.659) 2.137 31.637 ( 2.015 8.467 2.451) 9.042 32.047 ( 1.453 0.430 3.586) 3.893 32.165 ( -12.748 -2.082 -14.582) 19.481 32.408 ( -4.058 -4.671 1.159) 6.296 32.672 ( -17.719 -14.838 2.727) 23.271 32.866 ( -5.748 -8.940 0.261) 10.632 33.528 ( 1.111 8.058 2.713) 8.575 33.799 ( 4.956 9.854 -2.949) 11.418 33.859 ( 3.558 -0.747 0.225) 3.643 34.285 ( -1.958 -4.128 -10.240) 11.213 ======================= Grid point 99 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 3.044 18.153 10.301) 21.093 1.188 ( 1.728 19.733 13.984) 24.247 1.488 ( -2.870 0.801 -8.596) 9.098 1.622 ( -2.165 1.200 7.587) 7.981 1.835 ( -1.551 -0.353 -4.310) 4.595 1.864 ( -1.340 7.433 -7.356) 10.543 1.950 ( -0.615 8.767 0.163) 8.790 2.007 ( 1.358 -0.969 9.839) 9.979 2.067 ( 1.853 1.658 8.039) 8.415 2.216 ( 1.319 -0.407 3.205) 3.490 2.321 ( 2.838 -0.559 3.406) 4.469 2.388 ( -1.688 -5.340 -0.656) 5.639 2.471 ( -0.825 4.656 0.951) 4.823 2.592 ( 2.913 0.297 1.862) 3.470 2.710 ( -1.403 6.602 -2.978) 7.377 2.794 ( -2.273 3.665 -1.073) 4.444 2.851 ( 0.480 -8.182 2.400) 8.541 2.938 ( 1.940 2.209 -4.184) 5.113 3.010 ( -2.863 -2.261 -2.862) 4.637 3.254 ( 5.101 -3.594 -4.820) 7.885 3.324 ( -0.740 0.924 -8.593) 8.674 3.357 ( 0.670 1.378 -5.320) 5.537 3.422 ( -4.321 -9.850 3.315) 11.255 3.680 ( 0.971 -5.165 -7.091) 8.826 3.794 ( 2.265 -2.698 0.546) 3.565 3.843 ( 1.489 -3.772 -2.766) 4.909 3.990 ( -2.029 7.148 2.664) 7.893 4.023 ( 4.587 2.299 3.727) 6.341 4.058 ( -2.072 0.892 1.001) 2.468 4.210 ( -2.198 1.618 2.994) 4.052 4.229 ( 3.283 3.844 2.403) 5.597 4.280 ( -3.343 -1.118 3.435) 4.921 4.407 ( -1.022 0.650 -2.206) 2.517 4.443 ( 1.155 -2.985 -1.841) 3.693 4.531 ( 2.428 -6.490 2.352) 7.318 4.606 ( -2.835 -1.374 -3.211) 4.498 4.866 ( -0.172 3.431 1.124) 3.614 4.934 ( -0.967 1.260 -0.194) 1.600 5.015 ( -1.610 2.604 5.145) 5.987 5.221 ( 2.036 -4.679 -2.422) 5.648 5.318 ( 2.166 2.822 0.826) 3.652 5.341 ( -2.006 0.488 -0.126) 2.068 5.500 ( 2.194 2.715 0.307) 3.504 5.640 ( -2.196 3.531 4.115) 5.850 5.667 ( -2.652 -3.529 -5.176) 6.803 5.818 ( 5.067 1.805 0.845) 5.445 6.119 ( 0.859 3.567 -3.624) 5.157 6.335 ( 1.626 -4.131 -4.711) 6.473 6.761 ( -2.584 -1.459 5.543) 6.287 6.813 ( -2.561 -2.604 3.487) 5.050 6.854 ( 4.104 4.170 0.337) 5.861 7.005 ( 1.132 -0.501 -3.742) 3.942 7.101 ( -1.668 8.377 3.311) 9.161 7.248 ( -3.181 0.334 1.928) 3.734 7.785 ( 2.302 -2.652 -2.332) 4.216 7.792 ( -3.307 -6.083 -1.765) 7.146 7.964 ( 1.845 1.152 -1.823) 2.838 8.039 ( -2.780 2.070 -4.540) 5.712 8.218 ( 2.614 -0.451 2.694) 3.781 8.270 ( -0.261 -2.835 -0.204) 2.855 9.542 ( 2.891 -1.191 2.300) 3.881 9.597 ( -0.905 9.707 4.584) 10.773 9.620 ( -0.863 -3.225 0.223) 3.346 9.808 ( 2.853 6.524 -4.815) 8.596 9.886 ( 0.575 1.214 2.359) 2.715 10.017 ( -2.188 1.139 4.205) 4.875 10.024 ( 1.453 -3.575 -2.187) 4.436 10.175 ( -2.979 -4.550 -2.958) 6.191 10.211 ( -0.489 0.452 4.457) 4.506 10.390 ( 1.584 1.269 -2.819) 3.474 10.514 ( -2.086 -10.284 2.054) 10.692 10.617 ( 0.323 -9.768 -2.575) 10.107 12.407 ( 0.908 5.528 -0.240) 5.607 12.414 ( -0.422 5.694 -0.415) 5.725 12.597 ( 0.319 -2.909 0.676) 3.003 12.623 ( -0.235 -3.394 -0.363) 3.421 13.940 ( -0.099 -0.257 1.223) 1.253 14.025 ( 0.235 -2.080 -2.403) 3.187 14.101 ( -1.703 0.747 1.949) 2.694 14.190 ( 1.249 -2.652 -2.271) 3.708 14.658 ( 1.286 -2.554 2.192) 3.603 14.763 ( -1.224 -6.966 -2.504) 7.503 15.088 ( -0.642 0.995 1.653) 2.033 15.136 ( 0.258 -1.736 -0.451) 1.812 15.479 ( 0.330 2.755 0.685) 2.858 15.513 ( 0.663 1.170 -0.545) 1.451 15.659 ( -0.429 4.311 -0.169) 4.336 15.714 ( 0.313 5.304 -3.509) 6.368 15.807 ( -0.234 -0.640 0.974) 1.189 15.887 ( -0.138 -1.413 -2.192) 2.611 16.070 ( 2.354 -1.508 0.019) 2.796 16.085 ( -2.566 -2.656 -0.447) 3.720 16.434 ( 1.207 -0.240 0.518) 1.335 16.483 ( -1.058 -2.372 -1.565) 3.032 16.596 ( 0.117 -0.235 -0.785) 0.828 16.615 ( 0.277 -0.764 -1.827) 2.000 17.457 ( -1.053 3.376 1.086) 3.699 17.559 ( 1.209 0.339 -3.618) 3.830 17.681 ( -1.319 -0.944 1.945) 2.532 17.714 ( -0.491 -1.028 0.316) 1.183 21.502 ( -0.141 2.184 2.105) 3.037 21.518 ( 0.486 1.191 2.346) 2.675 21.889 ( 0.248 1.680 0.281) 1.722 21.904 ( -0.466 1.416 -0.193) 1.503 27.390 ( 0.470 0.551 3.783) 3.852 27.404 ( 0.532 -0.398 3.947) 4.003 27.964 ( -0.312 4.649 -2.881) 5.478 28.082 ( -0.398 -0.340 -8.301) 8.317 28.686 ( 0.211 -0.675 -0.165) 0.726 28.693 ( 0.214 -1.289 -0.278) 1.336 29.053 ( -0.375 3.899 1.698) 4.269 29.177 ( 1.064 -1.782 -4.770) 5.201 29.893 ( 0.026 1.647 4.450) 4.745 29.973 ( 0.512 -2.063 1.441) 2.568 30.359 ( -0.997 3.225 1.683) 3.772 30.409 ( 0.107 1.602 0.052) 1.606 30.469 ( 0.248 1.437 0.830) 1.678 30.487 ( -1.895 0.463 1.558) 2.497 30.808 ( -2.137 -1.037 1.361) 2.738 30.936 ( 3.090 -6.395 -2.940) 7.686 31.508 ( 1.698 1.379 1.341) 2.566 31.560 ( -0.355 -1.214 1.871) 2.258 31.730 ( -9.655 2.978 -8.204) 13.016 31.797 ( 0.367 -0.641 -7.558) 7.594 32.176 ( 7.408 2.071 7.136) 10.492 32.320 ( 5.395 -5.315 6.059) 9.699 32.449 ( -3.054 0.123 1.250) 3.302 32.608 ( -1.763 -7.823 -2.219) 8.320 33.737 ( -1.346 6.901 4.818) 8.523 33.877 ( -0.250 -1.095 1.040) 1.531 34.002 ( 1.130 5.239 -1.479) 5.560 34.167 ( 0.416 -1.398 -7.958) 8.091 ======================= Grid point 100 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 4.704 10.399 5.509) 12.673 1.338 ( 5.902 10.897 8.831) 15.217 1.456 ( 3.236 6.547 1.823) 7.527 1.688 ( -0.989 9.372 -7.299) 11.920 1.724 ( 3.672 -2.815 2.272) 5.154 1.874 ( 4.216 0.842 -6.163) 7.514 2.070 ( 0.695 -0.901 3.860) 4.024 2.114 ( 10.244 0.957 6.199) 12.012 2.230 ( 3.194 -0.621 8.826) 9.406 2.314 ( 9.629 2.209 0.799) 9.911 2.412 ( 8.191 -0.839 -0.446) 8.246 2.459 ( 3.823 -3.128 1.507) 5.164 2.520 ( 7.799 5.255 0.483) 9.417 2.668 ( 5.334 1.558 -2.599) 6.135 2.698 ( 1.901 -1.109 -1.406) 2.612 2.799 ( 4.578 4.719 1.417) 6.726 2.864 ( -3.105 -2.116 -0.876) 3.858 2.924 ( 4.591 -3.673 3.706) 6.950 3.049 ( 8.240 8.638 -5.885) 13.309 3.226 ( -1.946 -2.619 -4.870) 5.862 3.309 ( 6.565 -0.514 -8.491) 10.745 3.393 ( 1.746 -9.409 2.106) 9.799 3.438 ( 7.588 -1.723 -2.792) 8.267 3.646 ( 0.301 -3.682 -3.695) 5.225 3.828 ( 1.675 -2.843 -5.063) 6.043 3.859 ( 2.112 -3.939 0.737) 4.530 3.962 ( -3.961 9.741 0.682) 10.538 4.032 ( 0.959 4.949 1.091) 5.157 4.138 ( 4.491 0.794 3.294) 5.625 4.189 ( -3.897 1.985 1.949) 4.788 4.256 ( -1.849 -0.228 4.988) 5.324 4.345 ( -2.960 -3.823 -1.570) 5.083 4.359 ( 7.105 3.866 1.308) 8.193 4.409 ( -2.809 -1.966 -0.694) 3.498 4.516 ( -1.269 -3.661 -4.929) 6.270 4.638 ( 3.461 -0.927 1.979) 4.093 4.857 ( -1.756 1.046 1.328) 2.437 4.925 ( 1.243 0.484 -0.389) 1.390 5.049 ( 0.686 3.082 5.087) 5.987 5.227 ( -0.894 -4.979 -2.207) 5.519 5.286 ( -2.718 3.070 -1.515) 4.371 5.371 ( 0.911 -6.171 -1.040) 6.324 5.457 ( -4.395 6.039 1.532) 7.624 5.618 ( -1.527 3.273 -0.323) 3.627 5.672 ( 3.051 -1.318 1.453) 3.628 5.910 ( 3.736 -6.184 2.737) 7.726 6.121 ( 3.139 6.084 -5.615) 8.854 6.284 ( -1.842 -0.784 -5.396) 5.755 6.726 ( -4.650 -1.718 5.090) 7.105 6.739 ( -3.815 0.169 0.800) 3.902 6.967 ( 3.301 3.947 -0.400) 5.161 7.032 ( 4.258 3.476 -4.616) 7.178 7.162 ( 2.823 1.478 8.319) 8.908 7.228 ( 1.170 1.320 1.681) 2.437 7.722 ( -3.786 -5.685 0.538) 6.852 7.769 ( -0.871 -6.218 -3.220) 7.056 7.961 ( -2.184 2.417 -0.910) 3.383 7.991 ( 1.106 3.816 -2.463) 4.674 8.233 ( -1.731 -1.913 -0.479) 2.624 8.284 ( 1.703 -2.012 0.069) 2.637 9.562 ( -2.295 4.960 0.327) 5.475 9.621 ( -0.063 5.954 0.581) 5.983 9.664 ( 5.363 -2.834 1.672) 6.292 9.810 ( 1.019 5.596 -4.572) 7.298 9.919 ( 0.590 -1.666 1.427) 2.272 9.987 ( -1.018 -4.224 1.752) 4.685 10.066 ( 0.334 2.019 1.253) 2.399 10.110 ( -0.755 -2.101 -0.777) 2.364 10.226 ( -1.665 0.420 3.953) 4.310 10.365 ( -1.132 0.919 -3.577) 3.863 10.493 ( -1.748 -11.176 2.609) 11.609 10.607 ( 0.338 -10.480 -1.827) 10.643 12.417 ( 1.196 4.994 -0.712) 5.184 12.440 ( 2.605 5.185 -0.095) 5.804 12.601 ( -0.306 -2.997 -0.047) 3.013 12.628 ( 0.968 -2.825 0.120) 2.989 13.940 ( -1.255 -0.576 1.668) 2.165 13.993 ( -1.291 -2.026 -2.624) 3.558 14.062 ( -3.867 1.726 1.616) 4.532 14.168 ( -1.472 -2.853 -1.344) 3.481 14.699 ( 0.497 -3.775 1.378) 4.049 14.721 ( -0.235 -5.134 -1.787) 5.441 15.075 ( -1.571 0.710 1.317) 2.169 15.134 ( -0.434 -2.135 -0.329) 2.204 15.472 ( -2.202 3.681 -0.342) 4.303 15.484 ( -2.383 3.541 -0.579) 4.307 15.655 ( 0.151 3.877 -0.673) 3.938 15.683 ( -1.043 3.742 -0.288) 3.895 15.795 ( -1.728 -1.062 0.882) 2.211 15.880 ( 0.759 -1.792 -1.213) 2.293 16.014 ( -1.593 3.869 -0.042) 4.185 16.131 ( 0.749 -2.669 -0.315) 2.790 16.416 ( 0.988 0.254 -0.435) 1.109 16.517 ( 1.460 -2.518 0.653) 2.983 16.613 ( 2.800 -1.357 -0.681) 3.185 16.625 ( 1.827 -2.232 -2.174) 3.612 17.439 ( -1.654 3.221 1.621) 3.967 17.539 ( -0.463 0.253 -3.213) 3.256 17.660 ( -2.750 -0.981 2.426) 3.797 17.690 ( -2.203 -1.210 0.325) 2.534 21.511 ( -0.369 2.581 1.410) 2.964 21.542 ( 0.405 0.970 1.467) 1.804 21.853 ( -4.102 1.611 -0.464) 4.431 21.864 ( -3.317 0.858 0.382) 3.447 27.408 ( -1.699 0.377 3.246) 3.683 27.419 ( -1.625 -0.285 2.330) 2.855 27.865 ( -8.003 3.762 -1.687) 9.003 27.910 ( -10.438 2.479 -5.623) 12.113 28.695 ( 0.834 -0.743 -0.141) 1.126 28.700 ( 0.762 -1.056 -0.406) 1.364 29.032 ( -2.968 3.039 1.517) 4.511 29.102 ( -4.699 0.294 -2.437) 5.301 29.890 ( -3.238 0.841 3.019) 4.506 29.920 ( -5.065 -0.297 0.940) 5.160 30.326 ( -3.609 1.665 0.957) 4.088 30.352 ( -5.760 0.848 0.421) 5.837 30.481 ( 1.656 3.098 0.751) 3.592 30.519 ( 4.304 1.367 0.536) 4.548 30.885 ( 7.751 0.132 0.315) 7.758 31.045 ( 8.214 -8.210 -2.328) 11.844 31.545 ( 0.450 3.086 -2.022) 3.716 31.632 ( 7.308 -1.256 4.370) 8.607 31.666 ( 2.712 2.819 1.405) 4.156 31.752 ( 1.581 -1.560 -3.430) 4.086 32.328 ( 2.507 2.382 -3.616) 5.003 32.415 ( 7.919 2.130 -0.918) 8.252 32.600 ( 9.063 -10.053 1.428) 13.610 32.621 ( 8.924 -6.842 1.996) 11.421 33.696 ( -6.523 7.244 3.980) 10.529 33.855 ( -2.939 -1.809 1.867) 3.924 33.963 ( -4.150 4.259 -0.844) 6.007 34.105 ( -0.473 -1.262 -6.897) 7.028 ======================= Grid point 101 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 8.791 6.588 -5.024) 12.080 1.473 ( 1.724 5.921 -7.660) 9.834 1.588 ( 8.787 5.711 10.636) 14.932 1.690 ( 4.630 10.412 5.201) 12.526 1.829 ( 1.143 -4.389 4.112) 6.122 1.886 ( 4.109 0.928 -4.600) 6.237 2.118 ( 2.945 -0.656 1.398) 3.325 2.263 ( 2.470 -1.549 -2.370) 3.758 2.298 ( 2.162 -7.579 3.760) 8.732 2.417 ( 2.145 -4.119 -3.472) 5.798 2.545 ( 6.084 -3.584 1.076) 7.143 2.633 ( 9.156 -5.000 -1.713) 10.572 2.675 ( 7.326 4.380 -1.720) 8.707 2.776 ( 7.125 0.983 -0.360) 7.202 2.831 ( 8.536 5.163 0.719) 10.002 2.848 ( 1.639 0.411 7.383) 7.574 2.972 ( 8.600 4.065 1.855) 9.691 3.040 ( 7.367 3.067 -0.399) 7.990 3.186 ( 9.586 4.066 -5.571) 11.810 3.232 ( 6.596 -3.939 -0.822) 7.727 3.365 ( 5.893 -1.502 -5.097) 7.935 3.496 ( 7.279 -0.816 -0.005) 7.324 3.588 ( 7.595 -4.376 1.823) 8.953 3.641 ( 1.042 -2.573 -0.783) 2.884 3.814 ( 2.016 5.372 -6.996) 9.048 3.880 ( -2.999 2.769 -0.944) 4.190 3.923 ( 4.056 0.132 0.772) 4.131 4.060 ( -1.131 3.328 -0.419) 3.540 4.123 ( -1.964 6.730 2.937) 7.601 4.214 ( -5.008 1.111 -1.106) 5.248 4.240 ( 2.074 2.669 2.925) 4.470 4.318 ( 3.978 -2.850 0.081) 4.895 4.373 ( -1.912 -0.175 3.056) 3.609 4.462 ( 1.535 -6.543 -6.058) 9.048 4.498 ( 5.831 5.227 0.203) 7.833 4.694 ( 0.914 5.176 1.913) 5.593 4.851 ( 0.150 -0.742 3.812) 3.886 4.970 ( 2.974 -4.075 -2.420) 5.595 5.091 ( -1.125 3.158 5.553) 6.487 5.123 ( -7.089 2.480 -4.292) 8.651 5.191 ( -2.982 -4.143 -0.860) 5.177 5.350 ( -1.283 -7.689 0.961) 7.854 5.473 ( 0.250 -1.199 3.185) 3.412 5.574 ( -1.219 1.514 -2.486) 3.156 5.728 ( 1.733 2.760 0.817) 3.359 5.985 ( 0.277 -8.466 5.746) 10.235 6.143 ( 3.963 5.598 -7.068) 9.849 6.229 ( 1.743 -0.007 -6.829) 7.048 6.703 ( -1.394 0.379 4.723) 4.939 6.713 ( 1.075 0.649 -0.642) 1.410 6.970 ( -0.152 5.025 -0.862) 5.101 7.080 ( 2.034 4.200 -0.373) 4.682 7.264 ( 4.018 -0.357 1.322) 4.245 7.309 ( 2.656 1.606 4.720) 5.649 7.653 ( -4.067 -4.204 -0.010) 5.850 7.727 ( -1.913 -6.878 -0.435) 7.152 7.917 ( -2.426 3.719 1.791) 4.788 7.990 ( 0.054 3.164 -1.077) 3.343 8.193 ( -1.668 -1.029 -0.820) 2.124 8.299 ( 0.387 -2.799 -1.393) 3.150 9.531 ( -0.966 5.022 0.547) 5.143 9.612 ( -0.731 7.515 -0.481) 7.566 9.733 ( 1.675 -5.091 -2.871) 6.080 9.793 ( 1.168 4.880 -3.241) 5.974 9.914 ( -1.137 -4.512 -0.668) 4.701 9.971 ( -1.321 -2.362 -1.155) 2.942 10.059 ( -0.627 2.439 -0.271) 2.533 10.163 ( 2.163 -1.876 6.425) 7.034 10.201 ( -2.814 -0.028 1.471) 3.175 10.319 ( -0.866 0.877 -2.699) 2.968 10.504 ( -0.025 -10.829 4.177) 11.607 10.599 ( 0.082 -10.507 -1.312) 10.589 12.443 ( 2.095 4.097 -0.673) 4.651 12.494 ( 3.144 4.109 -0.090) 5.175 12.596 ( 0.022 -2.098 -0.137) 2.102 12.646 ( 0.817 -2.215 -0.031) 2.361 13.918 ( -2.456 0.099 1.267) 2.765 13.945 ( -1.685 -1.377 -1.781) 2.812 14.006 ( -2.914 1.148 1.210) 3.357 14.140 ( -0.658 -4.320 -0.249) 4.377 14.678 ( 0.188 -1.213 -2.555) 2.835 14.755 ( 1.399 -5.251 2.320) 5.908 15.056 ( -1.570 0.443 0.812) 1.823 15.110 ( -1.999 -1.532 -0.442) 2.557 15.392 ( -3.642 7.348 -0.468) 8.214 15.457 ( -1.536 1.943 -0.230) 2.487 15.636 ( -1.483 3.747 -1.378) 4.259 15.682 ( -0.743 0.423 2.587) 2.724 15.774 ( -0.642 -0.208 0.528) 0.857 15.890 ( 0.688 -3.022 0.029) 3.099 16.006 ( 0.515 4.933 -0.619) 4.998 16.096 ( -2.332 1.180 -1.704) 3.120 16.479 ( 3.786 -2.155 1.032) 4.477 16.540 ( 1.049 -0.539 1.133) 1.636 16.641 ( 2.181 -3.137 -3.575) 5.232 16.669 ( 2.672 -2.415 1.255) 3.814 17.429 ( -0.922 2.228 1.748) 2.978 17.499 ( -1.380 0.424 -2.368) 2.773 17.618 ( -3.717 -1.256 2.201) 4.499 17.642 ( -3.201 -1.433 0.449) 3.536 21.510 ( -0.359 3.154 0.311) 3.190 21.556 ( 0.476 0.910 0.162) 1.040 21.760 ( -5.040 1.499 -0.597) 5.292 21.795 ( -4.115 -0.305 0.573) 4.166 27.373 ( -3.213 0.398 -0.703) 3.313 27.378 ( -3.455 0.248 -0.396) 3.487 27.674 ( -11.360 3.561 -0.313) 11.909 27.679 ( -10.992 3.137 0.890) 11.466 28.712 ( 1.079 -0.648 -0.330) 1.301 28.715 ( 1.177 -0.752 -0.417) 1.458 28.978 ( -3.618 2.388 0.888) 4.425 29.002 ( -4.627 1.576 -0.573) 4.921 29.846 ( -2.477 0.331 1.029) 2.703 29.855 ( -2.147 -0.056 -0.081) 2.149 30.233 ( -6.768 0.392 0.119) 6.780 30.239 ( -6.297 0.206 0.019) 6.300 30.554 ( 5.396 4.236 0.918) 6.921 30.635 ( 7.281 0.987 0.614) 7.373 31.039 ( 7.496 -1.190 1.218) 7.687 31.152 ( 5.849 -6.582 -3.006) 9.304 31.565 ( 2.551 2.311 -1.425) 3.726 31.623 ( -0.646 -0.265 -2.910) 2.992 31.807 ( 3.487 3.787 2.772) 5.847 31.937 ( 11.017 -3.340 11.513) 16.281 32.306 ( 2.407 5.987 -9.269) 11.294 32.559 ( 8.530 0.689 -4.024) 9.457 32.732 ( 8.752 -5.196 1.364) 10.269 32.896 ( 13.388 -7.490 1.276) 15.394 33.585 ( -7.460 7.943 2.666) 11.219 33.807 ( -3.644 -4.467 1.286) 5.907 33.861 ( -5.882 3.229 0.185) 6.712 34.051 ( -0.627 -4.603 -3.880) 6.053 ======================= Grid point 102 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.113 3.891 -7.255) 9.691 1.518 ( 11.493 5.125 -2.460) 12.822 1.807 ( 5.165 0.242 2.252) 5.640 1.845 ( 3.930 4.411 9.626) 11.294 1.886 ( 7.326 -1.264 4.563) 8.723 1.977 ( 7.606 1.695 -1.259) 7.894 2.177 ( 2.596 0.449 -2.018) 3.319 2.252 ( 0.270 -2.939 -2.237) 3.703 2.367 ( 1.999 -9.697 3.527) 10.510 2.424 ( 2.123 -5.669 -2.858) 6.695 2.606 ( 2.630 0.497 -5.847) 6.430 2.729 ( 6.494 -4.877 0.732) 8.154 2.810 ( 2.896 4.618 -1.912) 5.777 2.865 ( 3.178 4.287 2.614) 5.942 2.905 ( 2.476 0.706 3.301) 4.186 2.975 ( 4.304 2.585 0.936) 5.107 3.060 ( 2.384 3.324 2.202) 4.646 3.138 ( 0.191 2.369 1.870) 3.024 3.256 ( 3.727 -3.357 -10.502) 11.638 3.340 ( 4.265 -6.539 -0.245) 7.811 3.506 ( 4.568 -0.866 -1.061) 4.769 3.607 ( 3.052 0.039 -0.283) 3.065 3.616 ( -5.688 -1.662 5.292) 7.944 3.673 ( 1.421 -0.242 1.396) 2.007 3.808 ( -1.838 4.263 -0.726) 4.698 3.852 ( 3.968 0.149 -1.884) 4.395 4.033 ( 2.306 5.809 -1.493) 6.426 4.053 ( 5.142 6.335 -1.736) 8.341 4.118 ( -0.033 4.335 0.482) 4.362 4.183 ( 4.021 8.958 -2.212) 10.065 4.235 ( -0.141 4.739 -0.114) 4.742 4.375 ( 0.870 -1.071 2.941) 3.249 4.441 ( 5.779 -0.540 -0.616) 5.836 4.513 ( 6.710 -6.857 -2.628) 9.947 4.600 ( 3.866 1.225 -0.669) 4.110 4.719 ( 2.439 7.606 2.866) 8.486 4.870 ( -5.665 -3.701 -0.815) 6.816 4.932 ( 3.490 -0.337 -0.409) 3.531 5.082 ( 0.042 -3.038 2.781) 4.119 5.121 ( 1.686 4.198 3.444) 5.686 5.171 ( 2.109 -2.677 -0.378) 3.428 5.334 ( -1.338 -8.573 1.807) 8.863 5.483 ( 0.426 0.549 0.534) 0.876 5.567 ( 2.349 -4.671 -2.827) 5.943 5.748 ( 0.247 5.058 -0.113) 5.065 6.006 ( -2.279 -5.949 4.487) 7.792 6.140 ( -0.106 3.743 -2.224) 4.355 6.230 ( 3.929 -1.668 -9.114) 10.064 6.745 ( 2.599 3.386 2.220) 4.811 6.762 ( 4.122 2.162 -0.256) 4.661 6.976 ( 0.352 2.591 1.797) 3.173 7.092 ( -0.658 2.718 0.576) 2.855 7.326 ( 3.297 0.331 -2.730) 4.293 7.359 ( 0.005 3.355 2.321) 4.080 7.575 ( -3.675 -2.372 -1.182) 4.531 7.687 ( -3.503 -7.239 2.115) 8.315 7.901 ( -1.403 3.687 2.455) 4.647 7.982 ( -1.095 3.101 1.813) 3.755 8.167 ( -0.818 -0.410 0.152) 0.928 8.281 ( -0.446 -2.267 -2.378) 3.316 9.538 ( -0.194 5.042 3.111) 5.928 9.597 ( 0.256 5.804 -1.046) 5.903 9.720 ( 0.261 -4.238 -2.593) 4.975 9.785 ( 0.843 2.380 -3.993) 4.724 9.885 ( -1.194 -4.442 -0.533) 4.630 9.925 ( -2.420 -0.655 -1.936) 3.167 10.039 ( -1.332 2.283 0.247) 2.655 10.145 ( -2.649 -3.239 0.383) 4.201 10.263 ( 1.930 -0.365 5.326) 5.677 10.295 ( 0.486 0.724 -2.670) 2.808 10.532 ( -0.666 -10.166 2.838) 10.576 10.594 ( 0.545 -10.480 -0.715) 10.518 12.480 ( 2.201 3.238 -0.224) 3.922 12.548 ( 2.632 2.504 -0.056) 3.633 12.600 ( 0.461 -0.905 0.030) 1.016 12.656 ( 0.350 -1.191 -0.125) 1.247 13.876 ( -2.078 0.370 0.230) 2.123 13.915 ( -0.831 -0.744 -0.403) 1.186 13.977 ( -1.193 0.301 1.057) 1.622 14.135 ( 0.087 -5.660 -0.256) 5.667 14.688 ( 2.604 0.811 -1.155) 2.962 14.799 ( 1.772 -4.123 1.990) 4.909 15.017 ( -3.034 0.662 -0.586) 3.160 15.053 ( -3.643 0.043 -0.283) 3.654 15.353 ( -0.859 4.930 0.667) 5.048 15.417 ( -2.164 1.389 -0.812) 2.697 15.598 ( -1.047 3.679 -1.259) 4.027 15.668 ( -2.792 -0.134 2.049) 3.465 15.790 ( 1.894 0.451 -0.033) 1.948 15.899 ( -0.009 -3.072 0.206) 3.079 16.016 ( 0.798 3.325 -0.221) 3.426 16.052 ( -1.073 2.044 -0.954) 2.498 16.536 ( 1.899 -1.023 1.092) 2.417 16.575 ( 1.447 -0.842 0.766) 1.841 16.644 ( 0.929 -1.590 -3.035) 3.550 16.729 ( 2.317 -3.377 1.557) 4.382 17.428 ( -0.470 1.446 1.086) 1.868 17.457 ( -1.331 1.073 -1.568) 2.320 17.564 ( -3.475 -1.634 1.463) 4.109 17.584 ( -3.319 -1.775 0.276) 3.774 21.508 ( 0.251 2.890 -0.348) 2.921 21.565 ( 0.754 0.440 -0.787) 1.175 21.673 ( -3.933 1.439 -0.025) 4.188 21.729 ( -3.545 -0.896 0.646) 3.713 27.286 ( -3.828 1.337 -2.806) 4.931 27.302 ( -3.400 0.124 -2.438) 4.186 27.492 ( -8.796 3.485 1.989) 9.668 27.521 ( -7.987 1.546 2.899) 8.636 28.731 ( 1.330 -0.314 -0.207) 1.382 28.734 ( 1.366 -0.504 -0.585) 1.569 28.920 ( -3.112 1.826 0.512) 3.645 28.924 ( -3.620 1.711 -0.076) 4.005 29.827 ( -0.126 -0.132 0.170) 0.250 29.836 ( 0.260 -0.525 -0.581) 0.825 30.109 ( -6.386 -0.196 -0.143) 6.391 30.120 ( -6.418 -0.549 0.168) 6.444 30.678 ( 6.657 4.292 1.495) 8.060 30.777 ( 7.299 0.629 0.424) 7.339 31.149 ( 2.935 -2.121 1.174) 3.807 31.225 ( 4.364 -4.696 -2.523) 6.889 31.591 ( 1.879 1.843 -0.939) 2.795 31.632 ( 1.869 -0.008 1.499) 2.396 31.875 ( 1.888 5.729 1.558) 6.230 32.095 ( -1.201 -4.909 0.485) 5.077 32.347 ( 7.867 8.686 -1.306) 11.792 32.674 ( 8.089 0.794 -5.568) 9.852 32.907 ( 6.900 -2.113 4.650) 8.585 33.118 ( 10.572 -4.327 -0.445) 11.432 33.487 ( -4.954 7.399 2.041) 9.135 33.715 ( -4.956 0.853 -3.826) 6.319 33.792 ( -3.375 -6.057 4.134) 8.073 34.026 ( 0.285 -7.778 -2.108) 8.063 ======================= Grid point 103 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 6.230 1.326 -1.108) 6.465 1.687 ( 6.536 -1.832 0.701) 6.824 1.844 ( 2.244 4.362 -1.952) 5.280 1.977 ( 2.798 3.424 2.454) 5.057 2.089 ( 7.521 -1.690 5.964) 9.746 2.149 ( 9.333 0.276 2.919) 9.782 2.184 ( 2.189 -0.122 -3.880) 4.457 2.233 ( -2.350 -5.032 -0.482) 5.574 2.402 ( -2.079 -4.924 3.068) 6.163 2.461 ( 2.964 -6.231 1.766) 7.122 2.630 ( 5.988 2.683 -8.620) 10.833 2.804 ( 0.801 -3.621 -0.251) 3.717 2.831 ( -2.574 6.106 3.890) 7.684 2.872 ( -0.513 -1.242 1.048) 1.704 2.950 ( 2.038 -3.219 -7.607) 8.507 3.059 ( 2.766 10.509 0.288) 10.871 3.114 ( 1.066 0.178 5.889) 5.987 3.160 ( 2.079 2.265 0.345) 3.094 3.223 ( 2.101 -0.815 -0.979) 2.457 3.408 ( -6.704 0.031 4.449) 8.046 3.438 ( 2.311 -2.383 -4.224) 5.372 3.521 ( -0.138 -4.862 -0.767) 4.924 3.634 ( -6.528 -2.395 4.757) 8.425 3.654 ( -7.676 0.613 1.161) 7.788 3.733 ( -0.702 7.176 -0.460) 7.225 3.903 ( 0.115 6.515 -4.422) 7.875 4.018 ( 1.275 0.795 -1.634) 2.220 4.085 ( 0.648 4.271 1.010) 4.436 4.212 ( 6.047 -0.057 -0.599) 6.077 4.246 ( 3.095 5.897 -2.596) 7.148 4.306 ( 5.349 -0.228 0.354) 5.366 4.404 ( 0.115 2.685 -2.061) 3.387 4.508 ( 2.390 -1.775 0.007) 2.977 4.531 ( -3.675 -0.926 3.131) 4.916 4.673 ( 6.513 1.391 -2.081) 6.978 4.768 ( -2.369 3.598 -2.259) 4.864 4.871 ( 7.397 -0.284 1.111) 7.486 5.005 ( 2.328 -0.202 0.812) 2.474 5.097 ( -1.218 -0.110 3.687) 3.885 5.188 ( 3.563 0.465 2.283) 4.257 5.271 ( 5.731 -2.136 -0.050) 6.116 5.354 ( 4.352 -2.715 1.423) 5.323 5.501 ( 1.393 -2.784 -3.527) 4.704 5.604 ( 2.821 -4.720 -0.427) 5.515 5.746 ( -0.100 3.110 0.448) 3.143 5.960 ( -5.912 -5.079 2.502) 8.185 6.114 ( -1.665 4.594 0.025) 4.887 6.224 ( 2.848 -1.252 -7.246) 7.886 6.812 ( 3.239 4.507 0.057) 5.550 6.842 ( 3.794 2.850 0.525) 4.774 7.001 ( 0.264 1.495 2.319) 2.772 7.081 ( -0.952 2.282 1.862) 3.095 7.350 ( 0.742 3.987 -2.201) 4.615 7.354 ( 0.367 0.316 -2.019) 2.077 7.513 ( -1.832 -1.868 -0.789) 2.733 7.625 ( -4.293 -7.104 0.472) 8.314 7.898 ( -1.565 3.727 3.714) 5.490 7.978 ( -0.922 3.048 2.349) 3.957 8.159 ( -0.717 -0.190 0.747) 1.053 8.255 ( -0.115 -1.099 -2.526) 2.758 9.547 ( -1.396 4.848 2.724) 5.733 9.620 ( 1.920 2.682 0.395) 3.322 9.710 ( 0.059 -3.972 -0.914) 4.076 9.779 ( 1.744 2.120 -2.508) 3.718 9.859 ( -1.689 -1.964 -2.998) 3.962 9.882 ( -0.123 -0.997 2.830) 3.003 10.020 ( -1.082 1.854 0.672) 2.249 10.114 ( -1.084 -3.759 0.747) 3.983 10.283 ( 0.492 -0.869 -2.594) 2.780 10.304 ( -0.456 1.751 0.085) 1.811 10.524 ( -1.000 -11.135 0.730) 11.203 10.599 ( 0.202 -10.630 -0.885) 10.668 12.516 ( 1.536 2.465 0.312) 2.920 12.579 ( 0.634 0.321 -0.306) 0.774 12.618 ( 1.546 0.939 0.125) 1.813 12.658 ( -0.257 -0.137 0.209) 0.358 13.854 ( -0.706 0.440 0.398) 0.922 13.903 ( -0.382 -0.582 -0.194) 0.723 13.974 ( -0.283 -0.206 1.333) 1.379 14.130 ( -0.024 -6.058 -1.481) 6.237 14.751 ( 4.365 1.862 0.048) 4.746 14.854 ( 2.497 -1.884 1.840) 3.629 14.940 ( -3.968 0.817 -1.501) 4.321 14.977 ( -4.383 0.177 -0.112) 4.389 15.353 ( 0.047 2.548 0.174) 2.555 15.382 ( -1.059 1.069 0.493) 1.584 15.583 ( 0.104 2.870 -0.820) 2.986 15.623 ( -2.623 1.030 0.195) 2.824 15.829 ( 2.092 0.255 -0.088) 2.109 15.891 ( -0.809 -2.038 -0.230) 2.205 16.026 ( 0.372 1.875 -0.234) 1.926 16.039 ( -0.170 1.128 0.240) 1.165 16.573 ( 1.219 -0.873 0.327) 1.534 16.602 ( 0.811 -2.126 1.137) 2.544 16.635 ( 0.428 1.932 -1.216) 2.323 16.765 ( 0.677 -3.783 0.343) 3.858 17.421 ( -0.477 1.579 -0.434) 1.705 17.435 ( -0.421 1.109 -0.002) 1.186 17.519 ( -2.192 -1.923 0.742) 3.008 17.532 ( -2.186 -2.101 -0.086) 3.033 21.518 ( 1.077 1.666 -0.191) 1.993 21.570 ( 0.356 -0.726 -0.969) 1.262 21.621 ( -1.575 2.037 0.427) 2.610 21.674 ( -2.898 -0.358 0.307) 2.936 27.219 ( -1.506 1.522 -0.623) 2.230 27.239 ( -1.236 0.334 -1.060) 1.662 27.378 ( -5.106 2.745 0.735) 5.843 27.417 ( -5.124 0.553 0.859) 5.225 28.756 ( 1.408 -0.011 -0.329) 1.446 28.757 ( 1.432 -0.012 -0.251) 1.454 28.868 ( -2.404 1.524 -0.006) 2.846 28.874 ( -2.359 1.247 0.514) 2.717 29.841 ( 1.311 -0.444 0.107) 1.388 29.852 ( 1.886 -0.924 -0.666) 2.203 30.005 ( -4.508 -0.612 -0.147) 4.551 30.015 ( -5.076 -0.980 0.388) 5.184 30.803 ( 4.966 3.783 1.860) 6.514 30.893 ( 4.639 0.789 0.052) 4.706 31.170 ( -0.768 -0.661 0.676) 1.218 31.267 ( 2.335 -3.942 -2.611) 5.274 31.643 ( 2.363 0.864 2.745) 3.724 31.678 ( 0.833 -0.431 2.677) 2.837 31.908 ( 1.930 3.067 -1.089) 3.784 32.003 ( -4.210 -0.620 -5.543) 6.988 32.481 ( 4.625 8.595 2.652) 10.114 32.760 ( 5.342 5.064 -5.420) 9.141 33.041 ( 2.618 -2.693 7.241) 8.157 33.280 ( 7.248 -0.909 -0.213) 7.308 33.429 ( -2.370 1.950 -0.256) 3.079 33.597 ( -3.998 4.080 -4.664) 7.375 33.783 ( -1.755 -9.624 5.238) 11.097 34.020 ( 0.944 -9.166 -2.861) 9.649 ======================= Grid point 104 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.753 1.467 4.071) 5.728 1.788 ( 2.686 -3.188 3.286) 5.308 1.824 ( -2.710 3.462 -3.772) 5.793 1.960 ( -3.714 0.283 -3.653) 5.217 2.157 ( -3.399 -0.029 1.099) 3.573 2.195 ( 0.638 -0.568 0.150) 0.868 2.244 ( 3.081 -3.914 3.458) 6.064 2.308 ( 3.497 -3.249 1.408) 4.977 2.375 ( -3.378 -0.755 6.225) 7.122 2.504 ( -1.602 -2.643 0.047) 3.091 2.640 ( -0.567 2.542 -5.354) 5.954 2.765 ( -1.311 -1.436 -1.031) 2.201 2.786 ( -2.162 1.261 -1.658) 3.002 2.865 ( -1.586 -3.756 0.606) 4.122 2.975 ( 9.431 -4.461 -5.152) 11.636 3.034 ( -3.810 -1.304 -2.333) 4.653 3.163 ( 0.943 6.287 -0.354) 6.367 3.184 ( -1.365 8.660 0.157) 8.768 3.309 ( -0.019 3.360 9.848) 10.405 3.401 ( -0.542 2.358 1.558) 2.878 3.463 ( 7.256 2.633 3.653) 8.539 3.514 ( -6.702 -1.605 3.628) 7.788 3.550 ( 0.849 -1.865 -0.923) 2.247 3.574 ( 0.109 -1.822 1.400) 2.301 3.719 ( -0.391 3.531 -1.939) 4.047 3.889 ( 6.259 7.908 -7.561) 12.605 4.046 ( 1.852 -4.536 -1.785) 5.215 4.077 ( -1.273 -1.008 -1.372) 2.126 4.248 ( -1.046 4.330 0.463) 4.478 4.283 ( 1.404 0.513 0.976) 1.786 4.368 ( -0.500 3.989 -0.672) 4.076 4.387 ( 1.778 -3.013 -1.569) 3.834 4.491 ( -4.030 -0.284 4.460) 6.018 4.513 ( -3.194 -0.320 2.034) 3.800 4.714 ( -0.531 4.233 -4.585) 6.263 4.731 ( 1.607 2.293 -5.029) 5.756 4.952 ( -0.078 0.452 1.559) 1.625 5.022 ( 0.253 -2.549 -1.095) 2.786 5.115 ( -0.588 2.834 6.314) 6.946 5.258 ( 0.692 7.047 2.332) 7.455 5.314 ( 0.824 -8.192 -0.214) 8.236 5.442 ( -4.549 -1.794 -3.073) 5.775 5.507 ( 6.736 -4.170 0.564) 7.942 5.602 ( -2.805 -1.262 -3.806) 4.894 5.769 ( -1.003 -1.418 3.887) 4.258 5.856 ( -3.256 -2.682 -0.175) 4.222 6.103 ( 0.833 5.275 0.672) 5.382 6.238 ( 3.939 -1.638 -5.327) 6.825 6.846 ( -0.024 3.611 0.262) 3.621 6.878 ( -0.590 1.433 -0.183) 1.561 7.022 ( 0.255 4.023 2.755) 4.883 7.099 ( 0.581 3.523 2.831) 4.557 7.301 ( -2.784 3.296 -2.356) 4.916 7.379 ( 3.629 0.345 -3.569) 5.102 7.497 ( -0.965 -3.743 0.901) 3.969 7.553 ( -1.459 -4.822 -1.997) 5.420 7.892 ( -2.804 2.565 5.060) 6.329 7.999 ( 1.983 2.638 1.288) 3.543 8.150 ( -0.701 0.621 0.586) 1.105 8.244 ( 0.995 -0.795 -2.346) 2.669 9.536 ( -1.775 3.411 2.100) 4.381 9.648 ( 1.167 2.395 0.096) 2.666 9.707 ( 0.640 -3.297 -1.168) 3.555 9.800 ( -0.103 3.067 -1.816) 3.566 9.842 ( 2.757 -2.786 1.896) 4.354 9.925 ( 0.871 -0.508 3.072) 3.234 10.015 ( -0.082 1.555 1.921) 2.473 10.117 ( 0.471 -4.378 1.164) 4.555 10.251 ( -3.161 1.685 -3.629) 5.099 10.266 ( 0.440 0.871 -4.160) 4.273 10.517 ( -0.709 -11.758 0.993) 11.821 10.587 ( -0.036 -11.436 -1.981) 11.607 12.537 ( 0.158 1.792 0.792) 1.965 12.577 ( -0.071 0.428 -0.838) 0.944 12.641 ( -0.729 1.018 0.637) 1.405 12.654 ( 0.810 0.319 0.045) 0.872 13.852 ( -0.058 0.694 0.790) 1.053 13.897 ( 0.075 -0.273 -0.577) 0.642 13.985 ( -0.064 -1.119 2.204) 2.472 14.112 ( -0.169 -5.725 -2.684) 6.326 14.822 ( 1.260 2.139 0.570) 2.547 14.856 ( -2.990 1.086 -0.975) 3.327 14.902 ( -0.799 0.222 1.112) 1.387 14.932 ( 2.691 -1.064 -0.180) 2.899 15.364 ( 0.722 1.588 0.650) 1.861 15.374 ( -0.513 0.747 0.536) 1.053 15.583 ( 0.453 2.078 -0.541) 2.195 15.588 ( -0.773 1.965 -0.655) 2.211 15.854 ( -0.075 0.105 0.008) 0.130 15.871 ( -0.171 -1.267 -0.667) 1.442 16.032 ( 0.191 1.003 0.164) 1.034 16.039 ( 0.174 0.754 0.006) 0.773 16.580 ( -0.581 -0.073 0.107) 0.595 16.604 ( -0.362 0.045 -0.416) 0.553 16.669 ( 1.971 -0.377 2.360) 3.098 16.757 ( -1.055 -3.285 -1.277) 3.679 17.419 ( 0.226 1.489 0.062) 1.507 17.429 ( 0.110 1.105 -0.393) 1.178 17.496 ( -0.746 -2.126 0.374) 2.284 17.510 ( 0.025 -2.151 -0.189) 2.159 21.537 ( 0.151 0.617 0.289) 0.698 21.561 ( 0.253 -0.494 -0.696) 0.890 21.620 ( -0.612 1.423 0.420) 1.605 21.637 ( 0.286 0.533 -0.297) 0.674 27.227 ( 1.830 1.787 1.734) 3.090 27.254 ( 2.470 0.355 1.722) 3.032 27.309 ( -1.966 2.060 -1.513) 3.224 27.344 ( -2.253 0.309 -1.878) 2.950 28.771 ( -0.137 0.457 -0.119) 0.492 28.776 ( 0.817 0.237 -0.374) 0.929 28.842 ( -0.638 1.215 0.461) 1.447 28.849 ( 0.027 0.941 0.142) 0.952 29.859 ( -0.347 -0.393 0.223) 0.570 29.881 ( 0.740 -1.356 -0.711) 1.700 29.951 ( -0.919 -0.671 0.388) 1.202 29.962 ( 0.591 -1.132 -0.069) 1.279 30.863 ( -0.606 3.339 1.917) 3.897 30.934 ( -0.375 1.128 -0.094) 1.192 31.163 ( -0.027 0.547 0.852) 1.013 31.277 ( 1.162 -3.746 -2.855) 4.851 31.694 ( -1.043 0.366 3.431) 3.605 31.697 ( 0.129 0.020 4.045) 4.047 31.896 ( -2.672 1.210 -4.699) 5.539 31.938 ( 2.808 -1.914 -3.976) 5.230 32.553 ( 0.784 11.197 3.940) 11.896 32.776 ( 1.422 9.465 -6.705) 11.686 33.112 ( -2.050 -4.783 9.444) 10.783 33.353 ( -1.119 4.255 0.545) 4.433 33.404 ( 1.154 -7.391 -1.753) 7.683 33.515 ( 0.768 5.339 -6.303) 8.296 33.794 ( -2.240 -8.582 6.269) 10.861 34.018 ( 1.807 -9.568 -3.874) 10.479 ======================= Grid point 106 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -9.677 2.684 -5.526) 11.462 1.702 ( -1.918 4.237 4.131) 6.221 1.844 ( -5.116 -2.397 -3.313) 6.550 1.879 ( 0.695 -3.416 5.581) 6.581 2.056 ( -8.108 1.262 0.985) 8.265 2.189 ( -5.300 2.634 3.503) 6.877 2.262 ( -7.225 -0.913 4.675) 8.654 2.276 ( -4.316 -4.189 -2.134) 6.382 2.358 ( 1.592 -4.110 0.042) 4.407 2.450 ( -3.609 -4.710 2.814) 6.567 2.595 ( -0.438 1.673 -4.748) 5.053 2.642 ( -2.404 -3.919 -6.145) 7.675 2.831 ( -0.295 1.662 1.058) 1.992 2.894 ( 1.011 -0.626 3.916) 4.093 2.949 ( -2.871 -5.483 -2.095) 6.534 3.050 ( -5.791 3.164 -0.076) 6.600 3.125 ( 4.312 6.130 -4.102) 8.544 3.189 ( 2.062 2.757 1.063) 3.603 3.341 ( -1.147 -1.416 2.599) 3.175 3.396 ( -3.523 -0.344 -1.974) 4.052 3.480 ( 6.121 6.153 7.294) 11.337 3.577 ( -0.010 0.567 -1.889) 1.973 3.641 ( 4.933 0.474 -2.869) 5.727 3.675 ( 6.335 -0.450 5.313) 8.280 3.716 ( 3.352 4.762 0.538) 5.848 3.954 ( -2.053 -3.024 -4.520) 5.813 4.010 ( 5.049 3.195 -1.826) 6.248 4.100 ( 0.291 1.940 0.008) 1.961 4.209 ( -3.483 4.752 0.014) 5.892 4.277 ( -2.453 2.818 -0.100) 3.737 4.296 ( -5.927 5.892 -0.964) 8.413 4.383 ( -2.809 -2.146 -2.626) 4.403 4.447 ( -0.757 0.813 0.531) 1.231 4.500 ( 0.409 0.288 3.791) 3.824 4.647 ( -3.912 -1.837 -1.477) 4.567 4.685 ( -1.545 0.354 -4.601) 4.866 4.911 ( -5.470 -0.161 3.099) 6.289 4.997 ( -3.093 1.252 -1.792) 3.788 5.142 ( -2.137 0.108 6.447) 6.792 5.252 ( -2.343 1.227 -0.928) 2.803 5.266 ( -6.189 -2.406 1.581) 6.826 5.359 ( -1.300 -2.333 3.101) 4.093 5.487 ( -3.748 1.340 -5.871) 7.093 5.544 ( -2.332 -5.814 -0.122) 6.265 5.738 ( -0.659 1.687 -0.062) 1.812 5.880 ( 1.040 -3.306 2.134) 4.070 6.139 ( 2.341 3.861 -0.996) 4.624 6.279 ( 4.511 -3.922 -5.303) 7.991 6.810 ( -4.321 2.415 0.948) 5.041 6.831 ( -3.488 1.474 -0.279) 3.797 7.051 ( -0.334 4.409 4.449) 6.273 7.125 ( 0.646 3.436 -0.080) 3.497 7.228 ( -2.654 4.213 -2.129) 5.415 7.428 ( 3.021 2.167 -0.761) 3.795 7.446 ( -2.261 -3.432 -2.283) 4.702 7.594 ( 5.003 -5.746 0.733) 7.654 7.885 ( -1.295 2.116 3.615) 4.384 8.061 ( 2.511 0.190 2.753) 3.731 8.146 ( 0.056 1.807 -0.036) 1.808 8.254 ( 1.894 -1.187 -2.398) 3.278 9.519 ( -1.455 3.486 2.069) 4.307 9.679 ( 1.768 3.900 0.846) 4.365 9.719 ( 1.259 -1.360 -0.255) 1.871 9.784 ( 0.741 -0.845 -3.207) 3.398 9.899 ( -0.710 -1.035 -0.393) 1.315 9.946 ( 2.177 0.217 0.673) 2.289 10.032 ( -1.719 -1.376 2.023) 2.990 10.128 ( 0.089 0.221 -0.727) 0.765 10.184 ( -0.649 -1.609 -0.277) 1.757 10.251 ( 1.653 2.225 -2.463) 3.708 10.504 ( -1.371 -11.897 0.972) 12.015 10.584 ( 1.098 -11.846 -0.952) 11.934 12.529 ( -1.522 1.896 0.477) 2.477 12.570 ( -0.176 0.208 -0.452) 0.528 12.615 ( -1.813 2.009 0.127) 2.709 12.670 ( 0.319 -0.732 0.182) 0.819 13.860 ( 0.258 1.340 0.769) 1.566 13.898 ( 0.717 -0.119 -0.835) 1.107 14.005 ( 0.043 -2.192 3.136) 3.826 14.088 ( 0.196 -5.215 -3.009) 6.024 14.779 ( -3.278 0.502 -0.658) 3.381 14.816 ( -2.430 -0.979 2.106) 3.362 14.941 ( 3.322 1.782 -0.892) 3.874 14.997 ( 3.915 0.668 -0.275) 3.981 15.352 ( -0.767 2.757 0.257) 2.873 15.405 ( 1.835 1.029 0.483) 2.158 15.577 ( 0.163 2.116 -1.221) 2.448 15.600 ( 1.784 1.044 0.517) 2.131 15.824 ( -2.118 0.051 -0.084) 2.121 15.881 ( 0.759 -1.570 -0.232) 1.759 16.026 ( -0.492 1.707 -0.048) 1.777 16.057 ( 1.399 0.591 0.042) 1.519 16.562 ( -1.507 1.005 0.773) 1.969 16.590 ( -1.071 0.203 -0.295) 1.129 16.711 ( -1.612 -2.333 -1.625) 3.268 16.722 ( 0.892 -2.663 1.757) 3.312 17.410 ( -0.539 1.157 -0.337) 1.320 17.452 ( 2.151 1.582 -0.315) 2.689 17.500 ( 0.794 -2.678 0.837) 2.916 17.529 ( 2.077 -1.834 0.026) 2.771 21.520 ( -1.192 1.368 -0.114) 1.818 21.559 ( -1.074 0.236 -0.905) 1.424 21.626 ( 2.390 1.180 0.287) 2.681 21.674 ( 2.769 -0.371 0.305) 2.811 27.263 ( 0.191 1.204 -1.620) 2.027 27.285 ( -0.145 0.220 -1.580) 1.602 27.336 ( 6.191 2.858 0.986) 6.890 27.372 ( 6.789 0.890 2.126) 7.170 28.753 ( -1.245 0.444 -0.343) 1.365 28.769 ( -1.136 -0.213 -0.289) 1.191 28.857 ( 1.851 1.913 0.233) 2.672 28.878 ( 2.393 0.869 0.327) 2.567 29.833 ( -1.754 -0.345 -0.023) 1.788 29.853 ( -1.877 -1.251 -0.534) 2.318 30.001 ( 4.806 -0.279 0.034) 4.814 30.022 ( 4.999 -1.268 0.207) 5.161 30.816 ( -5.651 3.604 2.466) 7.142 30.879 ( -5.102 1.582 -0.635) 5.379 31.171 ( -0.663 -0.442 0.739) 1.087 31.269 ( 0.339 -4.262 -2.561) 4.983 31.696 ( -1.306 2.072 4.010) 4.699 31.737 ( -0.055 0.391 6.412) 6.424 31.821 ( -2.066 1.223 -4.044) 4.703 31.921 ( -0.723 -4.109 -7.243) 8.359 32.583 ( -1.266 11.945 5.282) 13.122 32.711 ( -2.392 10.098 -7.824) 12.996 33.097 ( -7.127 -4.613 7.988) 11.657 33.277 ( -6.271 -6.862 -1.429) 9.405 33.414 ( 1.551 5.298 0.393) 5.535 33.541 ( 5.179 -1.880 -4.606) 7.181 33.794 ( -1.796 -3.947 4.146) 6.000 34.036 ( 2.960 -10.039 -2.612) 10.788 ======================= Grid point 107 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -11.036 5.759 -5.017) 13.421 1.665 ( -11.233 1.771 -4.157) 12.108 1.707 ( -2.823 4.482 3.958) 6.612 1.827 ( -8.398 -5.504 4.288) 10.918 1.958 ( -3.452 4.148 4.160) 6.813 2.083 ( -7.287 -2.340 -0.199) 7.656 2.107 ( -6.362 1.168 0.261) 6.474 2.224 ( -4.385 -2.349 0.144) 4.976 2.342 ( -6.165 -7.189 3.441) 10.077 2.399 ( 0.377 -3.954 -4.461) 5.973 2.567 ( 1.377 -1.504 -3.287) 3.868 2.607 ( 0.832 -1.237 -2.561) 2.963 2.781 ( -6.000 0.050 1.464) 6.176 2.842 ( -5.199 -0.697 -0.018) 5.246 2.889 ( -6.480 1.575 0.765) 6.713 2.969 ( -3.876 -0.540 4.598) 6.038 3.127 ( -2.653 -1.599 -0.822) 3.205 3.198 ( -1.139 -2.501 -1.644) 3.202 3.282 ( -10.942 7.753 -2.270) 13.601 3.434 ( 5.390 -0.687 -2.615) 6.030 3.518 ( 1.726 1.754 -3.393) 4.191 3.624 ( -1.753 -1.787 -2.828) 3.777 3.640 ( -0.768 5.981 10.077) 11.744 3.727 ( 0.367 3.933 -0.231) 3.957 3.836 ( 2.209 0.279 1.351) 2.604 3.865 ( -2.586 1.196 -1.590) 3.263 4.005 ( -4.952 3.687 -2.781) 6.771 4.053 ( -2.826 2.407 -1.552) 4.023 4.185 ( -4.493 3.234 -0.985) 5.623 4.196 ( -0.422 7.913 -0.827) 7.968 4.230 ( 0.943 5.184 -1.978) 5.629 4.304 ( -3.412 -1.548 4.258) 5.671 4.423 ( -1.804 1.662 0.069) 2.454 4.486 ( -5.258 -3.956 -2.670) 7.101 4.611 ( -0.467 -0.602 -4.011) 4.083 4.656 ( 2.080 -4.162 3.120) 5.602 4.831 ( -4.930 2.053 2.155) 5.759 4.909 ( -2.241 3.667 1.599) 4.585 5.142 ( -2.176 -4.387 1.257) 5.056 5.196 ( -2.608 5.014 2.580) 6.213 5.212 ( -0.297 -9.558 1.785) 9.728 5.375 ( -0.554 0.506 -1.181) 1.399 5.429 ( -0.719 -1.456 3.080) 3.482 5.485 ( -0.273 -0.903 -4.277) 4.380 5.738 ( 0.953 2.334 -1.787) 3.090 5.878 ( -3.802 -2.408 3.771) 5.872 6.160 ( 1.685 2.908 -2.927) 4.457 6.305 ( 2.848 -6.210 -6.349) 9.327 6.721 ( -5.555 2.024 1.523) 6.105 6.765 ( -3.287 0.793 0.707) 3.455 7.074 ( -0.875 2.066 4.366) 4.909 7.107 ( -0.691 -0.111 -4.543) 4.597 7.191 ( -1.403 6.923 2.614) 7.532 7.374 ( -4.222 1.642 0.399) 4.548 7.498 ( 4.791 3.766 -1.336) 6.239 7.710 ( 6.020 -8.699 1.567) 10.694 7.904 ( 1.107 1.377 1.810) 2.530 8.111 ( -0.753 -0.593 4.249) 4.356 8.159 ( 2.292 0.433 -1.447) 2.745 8.267 ( 1.468 -1.447 -2.822) 3.495 9.523 ( -0.110 4.499 2.754) 5.276 9.716 ( 1.059 6.694 0.894) 6.836 9.733 ( -0.179 -0.972 -3.970) 4.091 9.764 ( -0.000 0.690 -1.138) 1.331 9.838 ( -1.972 -1.848 -6.397) 6.945 9.945 ( -0.890 -2.630 -0.567) 2.834 10.040 ( 1.861 -0.553 1.083) 2.223 10.140 ( -0.443 2.556 3.415) 4.288 10.183 ( 1.121 -3.828 -1.280) 4.189 10.300 ( 2.552 1.130 1.688) 3.261 10.495 ( -0.563 -11.475 1.965) 11.656 10.604 ( 1.263 -11.247 -0.070) 11.318 12.495 ( -2.180 2.616 -0.223) 3.412 12.545 ( -2.506 2.315 -0.044) 3.412 12.596 ( -0.098 -0.151 -0.022) 0.182 12.666 ( -0.813 -1.560 -0.091) 1.762 13.876 ( 0.998 1.711 0.482) 2.039 13.913 ( 1.689 0.171 -0.683) 1.829 14.031 ( 0.392 -2.676 2.325) 3.567 14.083 ( 1.375 -5.063 -1.489) 5.454 14.712 ( -2.827 0.117 -1.792) 3.349 14.802 ( -1.298 -3.658 2.949) 4.874 14.987 ( 2.552 2.444 -0.920) 3.651 15.066 ( 3.596 0.340 -0.283) 3.623 15.362 ( 1.603 5.684 0.663) 5.942 15.428 ( 0.896 2.131 -0.748) 2.430 15.575 ( 0.832 2.843 -1.172) 3.186 15.659 ( 3.172 -0.068 1.843) 3.669 15.785 ( -1.843 0.283 -0.042) 1.865 15.892 ( 0.559 -3.336 0.248) 3.392 16.015 ( -0.797 3.690 -0.283) 3.785 16.084 ( 1.685 0.215 -0.876) 1.911 16.542 ( -1.406 0.353 1.326) 1.965 16.555 ( -2.728 -0.070 0.128) 2.732 16.655 ( -1.904 -1.077 -2.385) 3.237 16.748 ( -0.186 -4.498 1.352) 4.700 17.404 ( 0.025 1.867 0.320) 1.894 17.489 ( 2.518 1.063 -1.565) 3.150 17.542 ( 2.429 -2.477 2.177) 4.095 17.581 ( 3.239 -1.561 0.333) 3.611 21.501 ( -0.773 2.069 -0.281) 2.227 21.525 ( -1.547 1.459 -0.714) 2.243 21.691 ( 4.229 0.804 -0.179) 4.309 21.736 ( 3.467 -0.666 0.644) 3.589 27.264 ( 1.573 0.867 -1.795) 2.539 27.276 ( 1.435 0.278 -2.686) 3.058 27.509 ( 10.795 4.439 2.037) 11.848 27.549 ( 10.194 1.687 2.086) 10.541 28.728 ( -1.103 -0.034 -0.376) 1.165 28.741 ( -1.402 -0.518 -0.442) 1.558 28.902 ( 2.725 2.678 0.257) 3.829 28.933 ( 3.413 1.189 0.193) 3.619 29.808 ( -0.869 -0.080 0.036) 0.873 29.825 ( -0.575 -0.884 -0.409) 1.131 30.107 ( 6.493 0.148 -0.030) 6.495 30.129 ( 6.140 -0.874 0.038) 6.202 30.714 ( -7.313 3.586 2.809) 8.616 30.754 ( -7.157 2.239 -1.007) 7.567 31.134 ( -3.973 -1.342 0.711) 4.253 31.245 ( -1.559 -6.490 -1.876) 6.934 31.680 ( -3.828 4.063 0.029) 5.583 31.748 ( -1.558 2.596 0.800) 3.132 31.802 ( -5.762 -2.076 -5.159) 8.008 31.827 ( 2.475 -0.681 6.565) 7.049 32.558 ( -5.641 8.023 -3.723) 10.490 32.591 ( -3.698 7.283 -1.139) 8.247 32.977 ( -10.251 -4.660 3.307) 11.736 33.107 ( -11.152 -8.572 -0.836) 14.090 33.476 ( 3.878 3.687 1.947) 5.694 33.617 ( 5.678 -2.126 -0.975) 6.141 33.809 ( 1.729 1.606 0.650) 2.448 34.085 ( 3.925 -9.883 -1.369) 10.722 ======================= Grid point 108 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -8.575 12.830 -0.720) 15.449 1.337 ( -16.441 12.245 -4.758) 21.045 1.687 ( -5.569 -5.962 4.323) 9.233 1.786 ( -1.038 -0.238 8.136) 8.205 1.871 ( -9.142 -0.173 -2.377) 9.448 1.950 ( -1.312 -1.708 0.198) 2.163 2.021 ( -5.247 -0.389 -3.360) 6.243 2.155 ( -5.362 -3.743 0.897) 6.601 2.262 ( -3.467 -0.463 7.695) 8.453 2.351 ( -1.523 2.201 -8.889) 9.283 2.559 ( -7.228 2.400 -1.196) 7.709 2.595 ( 1.824 -2.127 -2.782) 3.948 2.652 ( -10.662 0.230 3.815) 11.326 2.684 ( -11.074 0.300 -0.042) 11.078 2.804 ( -2.221 0.427 0.060) 2.262 2.859 ( -11.794 4.313 4.873) 13.471 2.989 ( -6.560 1.634 -0.110) 6.762 3.037 ( -11.387 0.372 1.346) 11.472 3.176 ( 0.459 -8.087 -2.426) 8.455 3.367 ( -12.816 -1.701 -0.775) 12.952 3.490 ( -3.763 -0.957 -2.447) 4.589 3.565 ( 1.869 3.982 -4.960) 6.630 3.667 ( -0.938 -0.285 -0.092) 0.985 3.699 ( -7.099 2.249 -0.300) 7.453 3.795 ( -0.025 0.041 -0.127) 0.136 3.809 ( -1.470 5.470 -3.930) 6.894 3.970 ( -0.115 0.010 -1.246) 1.251 4.010 ( 0.119 2.956 0.101) 2.961 4.123 ( -0.235 5.622 1.593) 5.848 4.145 ( -5.271 0.565 1.046) 5.404 4.282 ( 4.687 3.844 -0.656) 6.097 4.305 ( -2.587 -0.864 3.629) 4.539 4.377 ( -3.084 2.265 -1.276) 4.034 4.409 ( 0.433 -3.164 1.720) 3.627 4.527 ( -2.218 0.136 -5.498) 5.930 4.735 ( -0.050 -3.198 4.976) 5.915 4.806 ( 2.462 3.196 -2.326) 4.657 4.936 ( 0.779 3.402 3.323) 4.819 5.083 ( -5.272 -3.930 2.759) 7.131 5.201 ( 1.489 -5.492 -0.774) 5.742 5.229 ( 2.492 -1.469 -2.878) 4.080 5.364 ( -2.320 -3.184 -1.841) 4.349 5.440 ( 3.377 3.159 4.472) 6.433 5.531 ( 5.049 3.956 -0.735) 6.456 5.739 ( 0.476 1.070 -1.781) 2.131 5.808 ( -6.736 -1.758 4.605) 8.347 6.161 ( 1.307 2.721 -3.920) 4.948 6.291 ( 1.927 -6.459 -6.876) 9.629 6.661 ( -1.903 0.949 2.334) 3.158 6.736 ( -0.904 -1.115 1.728) 2.246 7.036 ( -3.425 -0.858 -3.716) 5.126 7.079 ( -2.111 0.046 3.449) 4.043 7.202 ( -0.212 6.298 1.779) 6.548 7.293 ( -5.264 4.698 2.630) 7.530 7.592 ( 5.643 5.756 0.862) 8.106 7.818 ( 4.207 -10.021 0.753) 10.894 7.942 ( 2.282 -0.224 -1.604) 2.798 8.110 ( -1.628 0.933 3.630) 4.086 8.188 ( 1.329 -2.042 -2.238) 3.308 8.260 ( 0.304 -1.877 -2.330) 3.007 9.550 ( 0.134 4.868 2.654) 5.547 9.640 ( -3.723 2.628 -4.038) 6.089 9.691 ( -4.168 -1.751 -2.855) 5.346 9.758 ( 2.999 5.558 -4.311) 7.647 9.823 ( 1.390 1.422 2.358) 3.085 9.956 ( 1.114 -4.134 0.037) 4.282 10.069 ( 0.807 -1.461 0.206) 1.682 10.152 ( -0.548 2.532 2.869) 3.865 10.222 ( 2.362 -3.765 1.594) 4.722 10.332 ( 0.759 -0.587 -0.950) 1.350 10.516 ( 0.333 -9.359 2.920) 9.809 10.622 ( 0.880 -10.298 -0.624) 10.354 12.450 ( -2.104 3.641 -0.722) 4.266 12.491 ( -3.047 4.331 -0.084) 5.296 12.598 ( 0.075 -2.287 -0.108) 2.291 12.645 ( -1.148 -2.094 -0.034) 2.389 13.902 ( 1.242 1.300 0.542) 1.878 13.954 ( 3.306 0.480 -0.680) 3.409 14.062 ( 1.651 -2.097 1.301) 2.969 14.111 ( 2.204 -5.125 -0.681) 5.620 14.654 ( -1.748 0.239 -1.626) 2.399 14.803 ( -0.616 -6.491 1.299) 6.648 15.027 ( 1.978 2.418 0.596) 3.180 15.117 ( 1.969 -1.158 -0.234) 2.296 15.414 ( 3.173 6.359 -0.626) 7.134 15.444 ( 1.835 2.714 -0.090) 3.277 15.605 ( 3.384 5.361 -0.155) 6.341 15.701 ( -0.791 1.548 1.117) 2.066 15.780 ( 1.313 -0.773 0.680) 1.669 15.909 ( 1.015 -4.710 0.458) 4.840 15.989 ( -1.233 5.317 -0.735) 5.507 16.102 ( 1.470 -0.678 -1.837) 2.448 16.496 ( -3.811 -0.136 0.798) 3.896 16.532 ( -0.870 -1.627 1.277) 2.244 16.612 ( -0.923 -0.278 -1.823) 2.062 16.731 ( -2.051 -5.284 -0.565) 5.696 17.419 ( 0.875 2.794 1.433) 3.260 17.522 ( 2.746 0.534 -2.460) 3.725 17.612 ( 2.776 -1.823 2.562) 4.195 17.646 ( 3.182 -1.256 0.668) 3.486 21.486 ( -0.588 2.795 -0.202) 2.863 21.501 ( -0.897 1.560 0.718) 1.937 21.772 ( 4.790 1.420 -0.570) 5.028 21.808 ( 3.792 -0.046 0.539) 3.831 27.294 ( 2.404 0.632 -0.114) 2.488 27.298 ( 2.352 0.499 -0.725) 2.511 27.744 ( 11.953 4.187 0.577) 12.678 27.768 ( 13.506 4.032 -0.274) 14.098 28.707 ( -0.860 -0.449 -0.329) 1.025 28.714 ( -1.066 -0.812 -0.466) 1.419 28.958 ( 3.001 3.601 0.656) 4.733 29.010 ( 5.085 1.493 -0.280) 5.307 29.806 ( 0.436 0.631 0.751) 1.074 29.831 ( 1.483 -0.494 0.278) 1.587 30.231 ( 6.864 0.577 0.070) 6.889 30.239 ( 5.620 0.193 0.048) 5.624 30.598 ( -7.023 3.111 1.613) 7.849 30.621 ( -6.404 2.504 -0.171) 6.878 31.042 ( -6.654 -1.955 1.385) 7.073 31.161 ( -5.862 -7.944 -3.131) 10.357 31.579 ( -4.169 2.768 -2.999) 5.834 31.647 ( -5.331 -0.245 -2.609) 5.941 31.769 ( -1.163 7.000 5.841) 9.191 31.940 ( 3.003 -1.290 8.188) 8.816 32.374 ( -7.947 1.890 -7.165) 10.865 32.487 ( -7.993 0.111 -3.776) 8.841 32.776 ( -12.981 -5.750 -0.344) 14.202 32.877 ( -12.786 -7.736 2.124) 15.094 33.575 ( 4.755 5.421 2.686) 7.695 33.731 ( 6.015 -1.975 1.378) 6.480 33.869 ( 4.876 5.438 -1.342) 7.426 34.150 ( 4.360 -8.521 -2.465) 9.885 ======================= Grid point 109 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -7.827 20.065 2.815) 21.721 1.112 ( -3.794 18.392 6.495) 19.871 1.620 ( -6.435 -4.265 5.737) 9.619 1.679 ( -6.499 0.918 -4.174) 7.778 1.856 ( 0.460 0.330 3.582) 3.626 1.920 ( -2.493 0.808 1.802) 3.180 1.940 ( -4.098 -0.100 3.886) 5.648 2.067 ( -4.495 -7.124 5.143) 9.870 2.143 ( -7.177 7.932 -12.046) 16.110 2.245 ( -12.945 9.903 4.642) 16.947 2.319 ( -4.787 3.675 0.871) 6.097 2.501 ( -8.773 0.394 4.666) 9.944 2.515 ( -2.782 -0.174 -3.512) 4.484 2.588 ( -4.691 -1.020 0.488) 4.826 2.764 ( -2.277 9.192 -1.067) 9.529 2.820 ( -0.403 -2.967 5.045) 5.867 2.890 ( -5.037 -6.884 1.473) 8.656 2.901 ( -0.496 4.005 -3.047) 5.057 3.134 ( -6.605 -8.892 -1.962) 11.249 3.198 ( 1.165 -1.706 -2.289) 3.084 3.399 ( -1.779 -1.827 -6.894) 7.350 3.487 ( -6.941 2.159 -2.845) 7.806 3.495 ( -5.866 -3.959 -3.359) 7.834 3.700 ( 2.327 -2.574 -6.025) 6.953 3.767 ( 0.085 3.348 1.013) 3.498 3.835 ( 1.656 -0.008 0.050) 1.657 3.958 ( -0.295 -1.060 0.636) 1.271 4.001 ( -0.414 1.619 0.057) 1.672 4.070 ( -2.895 -4.216 3.560) 6.231 4.182 ( 2.179 10.150 1.854) 10.546 4.248 ( -3.235 1.096 -0.175) 3.420 4.319 ( -3.267 3.800 3.483) 6.103 4.391 ( 4.203 -1.079 -0.194) 4.343 4.434 ( -0.243 -1.157 -0.570) 1.312 4.485 ( 1.970 -5.270 -2.289) 6.074 4.702 ( -5.102 1.204 0.959) 5.329 4.845 ( 1.946 1.666 -0.590) 2.629 4.951 ( -1.022 2.874 1.145) 3.258 5.027 ( -3.648 -2.051 4.665) 6.268 5.209 ( 1.073 -4.923 -1.551) 5.272 5.293 ( 4.154 1.997 -2.158) 5.089 5.316 ( 0.768 -4.728 -1.062) 4.906 5.495 ( -1.260 5.543 1.315) 5.834 5.637 ( 2.879 6.009 2.318) 7.055 5.725 ( 1.396 1.401 -0.698) 2.097 5.740 ( -2.882 -3.596 1.220) 4.768 6.142 ( 0.134 2.613 -4.088) 4.853 6.303 ( 4.445 -5.439 -5.070) 8.663 6.698 ( 3.459 -0.858 2.959) 4.632 6.753 ( 0.580 -1.710 3.037) 3.534 6.931 ( -5.597 1.833 -1.137) 5.998 7.049 ( -3.030 -1.838 0.921) 3.662 7.152 ( -4.171 9.018 -1.162) 10.003 7.268 ( -1.941 1.509 5.135) 5.693 7.710 ( 5.740 4.073 1.025) 7.113 7.853 ( -0.395 -8.715 -2.287) 9.018 7.951 ( 1.535 -0.770 -3.376) 3.787 8.127 ( -1.501 -0.790 0.143) 1.703 8.154 ( 0.514 1.615 -1.453) 2.233 8.265 ( 0.686 -3.445 0.191) 3.518 9.527 ( -1.568 -0.607 -1.409) 2.194 9.592 ( -2.142 8.803 3.126) 9.584 9.630 ( -1.182 -4.055 1.351) 4.435 9.785 ( 3.618 6.641 -5.041) 9.089 9.863 ( 0.434 2.597 2.547) 3.663 9.975 ( 1.264 -2.452 0.672) 2.840 10.066 ( -1.467 -1.763 -0.070) 2.294 10.176 ( 0.383 0.847 3.575) 3.694 10.240 ( -1.995 -6.017 0.183) 6.342 10.354 ( 3.546 1.408 -2.177) 4.393 10.530 ( -1.102 -8.996 2.100) 9.303 10.627 ( 0.653 -9.438 -1.854) 9.641 12.413 ( -1.083 4.894 -0.720) 5.064 12.440 ( -2.195 5.459 -0.103) 5.885 12.594 ( -0.279 -2.776 -0.039) 2.790 12.630 ( -0.502 -2.994 0.123) 3.038 13.926 ( 0.794 0.526 0.732) 1.201 14.010 ( 2.859 -0.404 -1.123) 3.098 14.099 ( 0.294 -1.470 2.061) 2.548 14.154 ( 3.910 -3.640 -2.450) 5.877 14.633 ( 0.113 -0.445 0.246) 0.521 14.794 ( -0.688 -7.766 -0.804) 7.838 15.067 ( 1.331 1.651 1.489) 2.591 15.135 ( 0.429 -1.656 -0.331) 1.743 15.454 ( 2.018 3.989 -0.396) 4.488 15.487 ( 2.274 1.753 -0.479) 2.911 15.675 ( -0.186 3.754 -0.325) 3.773 15.691 ( 3.451 5.332 -0.873) 6.411 15.801 ( 0.005 -0.393 0.822) 0.911 15.912 ( -0.674 -2.409 -1.460) 2.897 16.000 ( 3.055 1.485 0.291) 3.409 16.116 ( 0.776 -2.094 -0.259) 2.248 16.434 ( -2.531 0.045 -0.462) 2.573 16.523 ( -1.334 -3.570 0.634) 3.863 16.595 ( 0.284 0.210 -1.133) 1.187 16.668 ( -3.261 -3.143 -2.124) 5.002 17.450 ( 0.773 3.131 1.487) 3.551 17.550 ( 2.501 0.410 -3.157) 4.048 17.669 ( 1.156 -1.410 2.114) 2.792 17.699 ( 1.735 -0.986 0.623) 2.090 21.485 ( -0.000 2.810 1.745) 3.308 21.500 ( -0.225 1.422 1.581) 2.138 21.850 ( 3.678 1.920 -0.297) 4.160 21.877 ( 3.018 0.981 0.185) 3.179 27.342 ( 2.005 0.630 1.951) 2.868 27.350 ( 2.146 0.144 2.642) 3.407 27.916 ( 7.243 4.684 -1.991) 8.852 28.014 ( 12.554 1.650 -4.581) 13.465 28.691 ( -0.535 -0.563 -0.298) 0.832 28.697 ( -0.442 -1.198 -0.302) 1.312 29.019 ( 2.414 4.241 1.427) 5.084 29.117 ( 7.095 0.317 -2.263) 7.454 29.840 ( 1.742 1.584 2.844) 3.692 29.892 ( 4.379 -0.460 1.606) 4.687 30.327 ( 3.279 1.847 0.791) 3.845 30.350 ( 5.461 0.864 0.416) 5.545 30.499 ( -4.326 2.482 0.895) 5.067 30.525 ( -3.769 2.023 0.349) 4.292 30.914 ( -8.358 -3.157 1.807) 9.115 31.007 ( -6.356 -6.345 -3.691) 9.710 31.512 ( -1.817 1.325 -0.341) 2.274 31.566 ( -2.319 -0.979 0.390) 2.547 31.801 ( 0.925 7.553 2.357) 7.967 32.035 ( -0.840 -3.060 3.542) 4.755 32.128 ( -12.423 -0.101 -12.735) 17.791 32.271 ( -7.261 -6.800 3.544) 10.561 32.559 ( -9.542 -0.195 1.738) 9.701 32.702 ( -7.608 -7.135 0.671) 10.452 33.680 ( 3.448 6.768 3.741) 8.466 33.836 ( 3.632 -1.778 1.558) 4.334 33.953 ( 5.107 6.712 -1.971) 8.661 34.190 ( 2.928 -5.453 -5.509) 8.286 ======================= Grid point 110 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 1.510 -11.078 2.459) 11.447 1.383 ( 1.510 11.078 2.459) 11.447 1.522 ( -2.740 -12.196 7.223) 14.437 1.522 ( -2.740 12.196 7.223) 14.437 1.851 ( -0.543 -3.159 -2.636) 4.151 1.851 ( -0.543 3.159 -2.636) 4.151 1.998 ( 1.398 -4.139 10.040) 10.950 1.998 ( 1.398 4.139 10.040) 10.950 2.187 ( 0.236 -9.925 -10.079) 14.147 2.187 ( 0.236 9.925 -10.079) 14.147 2.285 ( 1.491 -2.433 4.227) 5.100 2.285 ( 1.491 2.433 4.227) 5.100 2.602 ( 0.684 -6.691 2.305) 7.109 2.602 ( 0.684 6.691 2.305) 7.109 2.807 ( -2.678 -8.021 -1.524) 8.592 2.807 ( -2.678 8.021 -1.524) 8.592 2.884 ( -0.461 -3.951 0.540) 4.014 2.884 ( -0.461 3.951 0.540) 4.014 3.093 ( 0.320 -10.729 3.174) 11.193 3.093 ( 0.320 10.729 3.174) 11.193 3.287 ( -1.871 -2.455 -2.059) 3.711 3.287 ( -1.871 2.455 -2.059) 3.711 3.523 ( 3.571 -9.778 -13.183) 16.798 3.523 ( 3.571 9.778 -13.183) 16.798 3.769 ( 1.239 -1.547 -2.583) 3.256 3.769 ( 1.240 1.547 -2.583) 3.256 4.043 ( 0.745 -1.407 6.947) 7.127 4.043 ( 0.745 1.407 6.947) 7.127 4.202 ( -0.279 -3.766 0.698) 3.841 4.202 ( -0.279 3.766 0.698) 3.841 4.299 ( 0.975 -8.379 1.670) 8.599 4.299 ( 0.975 8.379 1.670) 8.599 4.404 ( -2.683 -4.512 -0.300) 5.258 4.404 ( -2.683 4.512 -0.300) 5.258 4.470 ( -0.862 -7.186 -1.691) 7.433 4.470 ( -0.862 7.186 -1.691) 7.433 4.929 ( -0.419 -2.301 1.595) 2.831 4.929 ( -0.419 2.301 1.595) 2.831 5.107 ( 0.444 -6.302 -0.421) 6.331 5.107 ( 0.444 6.302 -0.421) 6.331 5.362 ( 1.734 -1.516 1.173) 2.584 5.362 ( 1.734 1.516 1.173) 2.584 5.570 ( -0.920 -5.028 -2.927) 5.890 5.570 ( -0.920 5.028 -2.927) 5.890 5.757 ( -1.966 -6.797 5.593) 9.019 5.757 ( -1.966 6.797 5.593) 9.019 6.227 ( 4.316 -6.474 -7.787) 11.008 6.227 ( 4.316 6.474 -7.787) 11.008 6.762 ( -1.999 -1.607 5.159) 5.761 6.762 ( -1.999 1.607 5.159) 5.761 6.951 ( 1.560 -4.561 -0.231) 4.826 6.951 ( 1.560 4.561 -0.231) 4.826 7.231 ( -2.105 -3.251 1.284) 4.080 7.231 ( -2.105 3.251 1.284) 4.080 7.732 ( -0.924 -1.130 -4.847) 5.062 7.732 ( -0.924 1.130 -4.847) 5.062 8.025 ( -0.149 -3.691 0.112) 3.696 8.025 ( -0.149 3.691 0.112) 3.696 8.216 ( 0.813 -1.674 0.666) 1.976 8.216 ( 0.813 1.674 0.666) 1.976 9.547 ( 1.800 -2.043 2.307) 3.569 9.547 ( 1.800 2.043 2.307) 3.569 9.809 ( -0.715 -7.468 1.339) 7.621 9.809 ( -0.715 7.468 1.339) 7.621 9.946 ( 0.389 -4.019 -0.033) 4.038 9.946 ( 0.389 4.019 -0.033) 4.038 10.076 ( -0.417 -4.775 -0.857) 4.870 10.076 ( -0.417 4.775 -0.857) 4.870 10.285 ( -0.108 -8.106 2.012) 8.353 10.285 ( -0.108 8.106 2.012) 8.353 10.474 ( -0.732 -4.555 -2.574) 5.283 10.474 ( -0.732 4.555 -2.574) 5.283 12.497 ( 0.155 -1.360 -0.072) 1.371 12.497 ( 0.155 1.360 -0.072) 1.371 12.549 ( 0.008 -1.920 -0.010) 1.920 12.549 ( 0.008 1.920 -0.010) 1.920 13.967 ( -0.181 -2.738 -0.479) 2.786 13.967 ( -0.181 2.738 -0.479) 2.786 14.140 ( 0.032 -2.491 0.338) 2.514 14.140 ( 0.032 2.491 0.338) 2.514 14.663 ( -0.005 -2.929 -0.238) 2.939 14.663 ( -0.005 2.929 -0.238) 2.939 15.108 ( -0.197 -1.200 0.082) 1.219 15.108 ( -0.197 1.200 0.082) 1.219 15.514 ( 0.382 -0.926 0.148) 1.013 15.514 ( 0.382 0.926 0.148) 1.013 15.753 ( -0.698 -4.311 0.254) 4.375 15.753 ( -0.698 4.311 0.254) 4.375 15.816 ( 0.493 -4.796 -1.806) 5.149 15.816 ( 0.493 4.796 -1.806) 5.149 16.062 ( 0.486 -0.456 -0.404) 0.779 16.062 ( 0.486 0.456 -0.404) 0.779 16.444 ( 0.080 -1.355 -0.571) 1.473 16.444 ( 0.080 1.355 -0.571) 1.473 16.599 ( -0.072 -0.613 -1.134) 1.291 16.599 ( -0.072 0.613 -1.134) 1.291 17.526 ( -0.126 -3.237 -0.505) 3.278 17.526 ( -0.126 3.237 -0.505) 3.278 17.689 ( -0.569 -1.295 0.282) 1.443 17.689 ( -0.569 1.295 0.282) 1.443 21.528 ( 0.078 -0.415 2.188) 2.228 21.528 ( 0.078 0.415 2.188) 2.228 21.913 ( -0.078 -0.554 -0.296) 0.632 21.913 ( -0.078 0.554 -0.296) 0.632 27.398 ( 0.441 -0.300 3.732) 3.770 27.398 ( 0.441 0.300 3.732) 3.770 28.043 ( -0.346 -3.265 -5.204) 6.153 28.043 ( -0.346 3.265 -5.204) 6.153 28.680 ( 0.209 -0.115 -0.220) 0.324 28.680 ( 0.209 0.115 -0.220) 0.324 29.125 ( 0.261 -3.357 -1.519) 3.694 29.125 ( 0.261 3.357 -1.519) 3.694 29.932 ( 0.079 -2.132 3.014) 3.693 29.932 ( 0.079 2.132 3.014) 3.693 30.411 ( -0.689 -1.593 1.398) 2.229 30.411 ( -0.689 1.593 1.398) 2.229 30.487 ( -0.882 -0.434 1.174) 1.532 30.487 ( -0.882 0.434 1.174) 1.532 30.834 ( 1.313 -3.598 -1.719) 4.198 30.834 ( 1.313 3.598 -1.719) 4.198 31.534 ( 1.223 -1.347 1.938) 2.658 31.534 ( 1.223 1.347 1.938) 2.658 31.774 ( -5.246 -1.695 -7.673) 9.448 31.774 ( -5.246 1.695 -7.673) 9.448 32.231 ( 6.271 -3.660 7.126) 10.173 32.231 ( 6.271 3.660 7.126) 10.173 32.494 ( -2.384 -4.033 -1.874) 5.046 32.494 ( -2.384 4.033 -1.874) 5.046 33.835 ( -0.836 -3.351 3.234) 4.731 33.835 ( -0.836 3.351 3.234) 4.731 34.102 ( 0.735 -4.621 -3.885) 6.082 34.102 ( 0.735 4.621 -3.885) 6.082 ======================= Grid point 112 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 2.080 -4.465 -0.610) 4.963 1.418 ( 2.080 4.465 -0.610) 4.963 1.597 ( 2.767 -8.406 9.674) 13.112 1.597 ( 2.767 8.406 9.674) 13.112 1.856 ( 2.379 -5.674 -3.219) 6.944 1.856 ( 2.379 5.674 -3.219) 6.944 2.083 ( 2.671 -1.611 1.416) 3.426 2.083 ( 2.671 1.611 1.416) 3.426 2.224 ( 5.603 -5.067 1.560) 7.714 2.224 ( 5.603 5.067 1.560) 7.714 2.412 ( 8.481 -1.686 -1.247) 8.737 2.412 ( 8.481 1.686 -1.247) 8.737 2.677 ( 5.375 -3.222 2.329) 6.686 2.677 ( 5.375 3.222 2.329) 6.686 2.740 ( -1.029 -5.018 -1.696) 5.396 2.740 ( -1.029 5.018 -1.696) 5.396 2.935 ( 5.931 -7.698 3.186) 10.227 2.935 ( 5.931 7.698 3.186) 10.227 3.138 ( 1.034 -11.226 1.805) 11.417 3.138 ( 1.034 11.226 1.805) 11.417 3.278 ( 5.207 -4.270 -4.091) 7.879 3.278 ( 5.207 4.270 -4.091) 7.879 3.532 ( 6.168 -7.696 -9.357) 13.595 3.532 ( 6.168 7.696 -9.357) 13.595 3.796 ( 3.557 -1.156 -1.734) 4.122 3.796 ( 3.557 1.156 -1.734) 4.122 4.095 ( 0.687 -3.996 1.033) 4.184 4.095 ( 0.687 3.996 1.033) 4.184 4.181 ( -1.898 -1.653 2.021) 3.228 4.181 ( -1.898 1.653 2.021) 3.228 4.270 ( -5.025 -3.154 0.140) 5.934 4.270 ( -5.025 3.154 0.140) 5.934 4.423 ( 1.167 -4.303 0.028) 4.459 4.423 ( 1.167 4.303 0.028) 4.459 4.511 ( 7.601 -10.115 2.197) 12.842 4.511 ( 7.601 10.115 2.197) 12.842 4.906 ( -3.003 -2.385 1.006) 3.964 4.906 ( -3.003 2.385 1.006) 3.964 5.122 ( 1.134 -4.919 0.204) 5.052 5.122 ( 1.134 4.919 0.204) 5.052 5.320 ( -5.003 -0.794 -2.373) 5.594 5.320 ( -5.003 0.794 -2.373) 5.594 5.581 ( 0.316 -5.259 0.394) 5.283 5.581 ( 0.316 5.259 0.394) 5.283 5.755 ( -0.479 -7.824 4.312) 8.946 5.755 ( -0.479 7.824 4.312) 8.946 6.233 ( 2.608 -4.558 -7.345) 9.029 6.233 ( 2.608 4.558 -7.345) 9.029 6.720 ( -3.933 -1.085 3.563) 5.416 6.720 ( -3.933 1.085 3.563) 5.416 7.036 ( 4.989 -2.371 -0.273) 5.530 7.036 ( 4.989 2.371 -0.273) 5.530 7.230 ( 0.852 -2.620 2.705) 3.861 7.230 ( 0.852 2.620 2.705) 3.861 7.668 ( -2.293 -2.318 -2.803) 4.300 7.668 ( -2.293 2.318 -2.803) 4.300 8.018 ( -0.768 -2.290 0.298) 2.434 8.018 ( -0.768 2.290 0.298) 2.434 8.225 ( -0.031 -2.511 -0.459) 2.553 8.225 ( -0.031 2.511 -0.459) 2.553 9.608 ( 2.868 -2.236 -0.563) 3.680 9.608 ( 2.868 2.236 -0.563) 3.680 9.801 ( -1.135 -8.254 1.608) 8.486 9.801 ( -1.135 8.254 1.608) 8.486 9.926 ( -1.882 -2.719 0.288) 3.319 9.926 ( -1.882 2.719 0.288) 3.319 10.090 ( 1.945 -0.278 -0.516) 2.031 10.090 ( 1.945 0.278 -0.516) 2.031 10.284 ( -1.760 -6.857 2.022) 7.363 10.284 ( -1.760 6.857 2.022) 7.363 10.440 ( -0.793 -5.582 -1.569) 5.853 10.440 ( -0.793 5.582 -1.569) 5.853 12.504 ( 0.677 -2.420 -0.210) 2.522 12.504 ( 0.677 2.420 -0.210) 2.522 12.562 ( 1.314 -2.535 -0.008) 2.855 12.562 ( 1.314 2.535 -0.008) 2.855 13.951 ( -1.142 -1.679 -0.262) 2.048 13.951 ( -1.142 1.679 -0.262) 2.048 14.111 ( -2.923 -2.879 0.246) 4.110 14.111 ( -2.923 2.879 0.246) 4.110 14.667 ( 0.614 -0.538 -0.225) 0.847 14.667 ( 0.614 0.538 -0.225) 0.847 15.096 ( -0.995 -1.564 0.085) 1.856 15.096 ( -0.995 1.564 0.085) 1.856 15.510 ( -0.961 -0.771 -0.185) 1.246 15.510 ( -0.961 0.771 -0.185) 1.246 15.732 ( -1.799 -2.457 -0.016) 3.045 15.732 ( -1.799 2.457 -0.016) 3.045 15.801 ( -0.503 -4.797 -0.696) 4.873 15.801 ( -0.503 4.797 -0.696) 4.873 16.080 ( 1.324 -2.843 -0.427) 3.165 16.080 ( 1.324 2.843 -0.427) 3.165 16.453 ( 1.594 -3.277 -0.633) 3.699 16.453 ( 1.594 3.277 -0.633) 3.699 16.602 ( 1.118 -0.457 -0.655) 1.374 16.602 ( 1.118 0.457 -0.655) 1.374 17.507 ( -1.495 -3.187 -0.132) 3.523 17.507 ( -1.495 3.187 -0.132) 3.523 17.664 ( -2.322 -1.173 0.589) 2.668 17.664 ( -2.322 1.173 0.589) 2.668 21.545 ( 0.130 -0.811 1.566) 1.768 21.545 ( 0.130 0.811 1.566) 1.768 21.871 ( -3.903 -0.237 -0.287) 3.921 21.871 ( -3.903 0.237 -0.287) 3.921 27.414 ( -1.611 -0.287 2.794) 3.238 27.414 ( -1.611 0.287 2.794) 3.238 27.917 ( -8.625 -1.416 -3.731) 9.503 27.917 ( -8.625 1.416 -3.731) 9.503 28.689 ( 0.892 -0.101 -0.280) 0.940 28.689 ( 0.892 0.101 -0.280) 0.940 29.083 ( -3.307 -2.010 -0.707) 3.934 29.083 ( -3.307 2.010 -0.707) 3.934 29.907 ( -3.960 -0.867 1.988) 4.515 29.907 ( -3.960 0.867 1.988) 4.515 30.353 ( -5.356 -0.793 0.735) 5.464 30.353 ( -5.356 0.793 0.735) 5.464 30.525 ( 3.470 -1.031 0.934) 3.739 30.525 ( 3.470 1.031 0.934) 3.739 30.922 ( 7.914 -4.107 -1.528) 9.046 30.922 ( 7.914 4.107 -1.528) 9.046 31.596 ( 2.504 -2.216 -0.471) 3.377 31.596 ( 2.504 2.216 -0.471) 3.377 31.715 ( 3.615 -2.188 0.579) 4.265 31.715 ( 3.615 2.188 0.579) 4.265 32.400 ( 6.732 -4.438 -3.569) 8.818 32.400 ( 6.732 4.438 -3.569) 8.818 32.522 ( 7.756 -2.763 3.165) 8.821 32.522 ( 7.756 2.763 3.165) 8.821 33.802 ( -5.211 -3.802 3.410) 7.296 33.802 ( -5.211 3.802 3.410) 7.296 34.047 ( -3.102 -4.088 -3.676) 6.312 34.047 ( -3.102 4.088 -3.676) 6.312 ======================= Grid point 114 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 5.744 -5.306 -2.585) 8.236 1.480 ( 5.744 5.306 -2.585) 8.236 1.704 ( 1.937 -7.221 4.752) 8.859 1.704 ( 1.937 7.221 4.752) 8.859 1.880 ( 3.961 -5.431 -1.112) 6.813 1.880 ( 3.961 5.431 -1.112) 6.813 2.160 ( 3.377 -4.121 2.684) 5.965 2.160 ( 3.377 4.121 2.684) 5.965 2.276 ( 0.341 -4.552 -2.446) 5.179 2.276 ( 0.341 4.552 -2.446) 5.179 2.550 ( 6.619 -1.724 -0.924) 6.902 2.550 ( 6.619 1.724 -0.924) 6.902 2.753 ( 5.392 -3.064 2.550) 6.706 2.753 ( 5.392 3.064 2.550) 6.706 2.859 ( 8.187 -2.911 1.211) 8.773 2.859 ( 8.187 2.911 1.211) 8.773 3.097 ( 4.909 -7.134 2.240) 8.945 3.097 ( 4.909 7.134 2.240) 8.945 3.171 ( 5.571 -6.217 -4.821) 9.640 3.171 ( 5.571 6.217 -4.821) 9.640 3.416 ( 10.742 -5.198 -0.563) 11.947 3.416 ( 10.742 5.198 -0.563) 11.947 3.584 ( 3.219 -2.633 -1.860) 4.555 3.584 ( 3.219 2.633 -1.860) 4.555 3.869 ( 4.092 -2.440 -1.882) 5.123 3.869 ( 4.092 2.440 -1.882) 5.123 4.058 ( -1.196 -8.505 -3.618) 9.320 4.058 ( -1.196 8.505 -3.618) 9.320 4.188 ( 2.750 -3.011 -0.311) 4.090 4.188 ( 2.750 3.011 -0.311) 4.090 4.258 ( 2.973 -2.114 3.923) 5.357 4.258 ( 2.973 2.114 3.923) 5.357 4.397 ( -2.915 -1.682 -0.341) 3.383 4.397 ( -2.915 1.682 -0.341) 3.383 4.693 ( 7.242 -9.096 2.732) 11.943 4.693 ( 7.242 9.096 2.732) 11.943 4.847 ( -3.683 -2.132 0.902) 4.350 4.847 ( -3.683 2.132 0.902) 4.350 5.133 ( -0.366 -0.801 -0.700) 1.125 5.133 ( -0.366 0.801 -0.700) 1.125 5.200 ( -4.520 -5.891 -1.322) 7.542 5.200 ( -4.520 5.891 -1.322) 7.542 5.539 ( -3.809 -5.114 1.382) 6.525 5.539 ( -3.809 5.114 1.382) 6.525 5.823 ( 3.254 -7.033 2.352) 8.098 5.823 ( 3.254 7.033 2.352) 8.098 6.215 ( 1.369 -1.824 -6.084) 6.497 6.215 ( 1.369 1.824 -6.084) 6.497 6.716 ( 1.538 -0.852 1.630) 2.398 6.716 ( 1.538 0.852 1.630) 2.398 7.079 ( 0.783 -4.340 -1.304) 4.599 7.079 ( 0.783 4.340 -1.304) 4.599 7.303 ( 3.365 -3.173 3.366) 5.720 7.303 ( 3.365 3.173 3.366) 5.720 7.610 ( -3.176 -3.227 0.439) 4.549 7.610 ( -3.176 3.227 0.439) 4.549 8.006 ( -1.076 -3.442 1.326) 3.842 8.006 ( -1.076 3.442 1.326) 3.842 8.211 ( -0.292 -4.351 -1.936) 4.771 8.211 ( -0.292 4.351 -1.936) 4.771 9.626 ( 1.116 -5.166 -2.915) 6.036 9.626 ( 1.116 5.166 -2.915) 6.036 9.785 ( -1.834 -8.655 0.502) 8.862 9.785 ( -1.834 8.655 0.502) 8.862 9.901 ( -1.073 -4.937 0.135) 5.054 9.901 ( -1.073 4.937 0.135) 5.054 10.111 ( 0.054 -2.520 -0.559) 2.582 10.111 ( 0.054 2.520 -0.559) 2.582 10.272 ( -0.296 -6.309 1.684) 6.536 10.272 ( -0.296 6.309 1.684) 6.536 10.429 ( -0.313 -5.378 1.049) 5.488 10.429 ( -0.313 5.378 1.049) 5.488 12.519 ( 1.120 -3.095 -0.155) 3.295 12.519 ( 1.120 3.095 -0.155) 3.295 12.591 ( 1.758 -3.017 -0.173) 3.496 12.591 ( 1.758 3.017 -0.173) 3.496 13.922 ( -1.938 -0.666 0.139) 2.055 13.922 ( -1.938 0.666 0.139) 2.055 14.060 ( -2.249 -3.723 0.021) 4.349 14.060 ( -2.249 3.723 0.021) 4.349 14.685 ( 1.568 -1.941 -0.027) 2.496 14.685 ( 1.568 1.941 -0.027) 2.496 15.075 ( -1.471 -1.543 0.029) 2.132 15.075 ( -1.471 1.543 0.029) 2.132 15.475 ( -2.342 -0.867 -0.799) 2.622 15.475 ( -2.342 0.867 -0.799) 2.622 15.691 ( -2.728 -1.123 1.104) 3.150 15.691 ( -2.728 1.123 1.104) 3.150 15.802 ( 0.897 -4.336 -0.195) 4.432 15.802 ( 0.897 4.336 -0.195) 4.432 16.084 ( -0.393 -2.525 -0.852) 2.694 16.084 ( -0.393 2.525 -0.852) 2.694 16.494 ( 2.873 -3.090 -0.325) 4.232 16.494 ( 2.873 3.090 -0.325) 4.232 16.628 ( 1.966 -1.503 -0.125) 2.478 16.628 ( 1.966 1.503 -0.125) 2.478 17.478 ( -1.499 -2.376 0.321) 2.828 17.478 ( -1.499 2.376 0.321) 2.828 17.615 ( -3.487 -1.014 0.767) 3.712 17.615 ( -3.487 1.014 0.767) 3.712 21.555 ( 0.062 -1.191 0.308) 1.232 21.555 ( 0.062 1.191 0.308) 1.232 21.784 ( -4.926 -0.905 -0.020) 5.008 21.784 ( -4.926 0.905 -0.020) 5.008 27.379 ( -3.175 -0.172 -0.435) 3.209 27.379 ( -3.175 0.172 -0.435) 3.209 27.711 ( -11.283 -0.096 0.161) 11.284 27.711 ( -11.283 0.096 0.161) 11.284 28.706 ( 1.283 -0.100 -0.407) 1.350 28.706 ( 1.283 0.100 -0.407) 1.350 29.010 ( -4.046 -0.739 0.004) 4.113 29.010 ( -4.046 0.739 0.004) 4.113 29.852 ( -2.563 -0.232 0.499) 2.621 29.852 ( -2.563 0.232 0.499) 2.621 30.239 ( -7.018 -0.198 0.125) 7.022 30.239 ( -7.018 0.198 0.125) 7.022 30.624 ( 6.223 -2.372 0.948) 6.727 30.624 ( 6.223 2.372 0.948) 6.727 31.054 ( 7.069 -3.049 -1.353) 7.817 31.054 ( 7.069 3.049 -1.353) 7.817 31.605 ( 1.226 -1.581 -2.554) 3.244 31.605 ( 1.226 1.581 -2.554) 3.244 31.873 ( 6.458 -3.223 7.682) 10.541 31.873 ( 6.458 3.223 7.682) 10.541 32.457 ( 7.148 -8.546 -9.308) 14.518 32.457 ( 7.148 8.546 -9.308) 14.518 32.760 ( 12.188 -5.850 4.004) 14.100 32.760 ( 12.188 5.850 4.004) 14.100 33.713 ( -6.683 -5.322 3.139) 9.102 33.713 ( -6.683 5.322 3.139) 9.102 33.950 ( -4.277 -5.307 -2.761) 7.354 33.950 ( -4.277 5.307 -2.761) 7.354 ======================= Grid point 116 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.196 -3.489 -4.192) 6.881 1.548 ( 4.196 3.489 -4.192) 6.881 1.816 ( 7.768 -2.824 4.385) 9.356 1.816 ( 7.768 2.824 4.385) 9.356 1.984 ( 6.209 -3.605 -0.328) 7.187 1.984 ( 6.209 3.605 -0.328) 7.187 2.208 ( -0.590 -3.114 3.015) 4.374 2.208 ( -0.590 3.114 3.015) 4.374 2.273 ( 2.930 -7.538 -2.849) 8.575 2.273 ( 2.930 7.538 -2.849) 8.575 2.646 ( 4.739 -3.458 -0.831) 5.925 2.646 ( 4.739 3.458 -0.831) 5.925 2.879 ( 4.924 -1.971 0.182) 5.307 2.879 ( 4.924 1.971 0.182) 5.307 2.973 ( 2.605 -3.415 2.556) 4.998 2.973 ( 2.605 3.415 2.556) 4.998 3.147 ( 3.436 -2.829 -3.614) 5.733 3.147 ( 3.436 2.829 -3.614) 5.733 3.232 ( 2.631 -2.842 -0.733) 3.942 3.232 ( 2.631 2.842 -0.733) 3.942 3.516 ( -2.864 -3.247 -0.228) 4.336 3.516 ( -2.864 3.247 -0.228) 4.336 3.657 ( 3.885 -1.944 2.660) 5.094 3.657 ( 3.885 1.944 2.660) 5.094 3.856 ( -0.838 -2.255 -1.050) 2.625 3.856 ( -0.838 2.255 -1.050) 2.625 4.084 ( 3.992 -1.088 -0.359) 4.153 4.084 ( 3.992 1.088 -0.359) 4.153 4.294 ( -1.185 -4.005 -3.633) 5.535 4.294 ( -1.185 4.005 -3.633) 5.535 4.334 ( 6.397 -3.807 0.621) 7.470 4.334 ( 6.397 3.807 0.621) 7.470 4.387 ( 6.194 -4.281 0.740) 7.566 4.387 ( 6.194 4.281 0.740) 7.566 4.716 ( -2.139 -9.498 -1.676) 9.879 4.716 ( -2.139 9.498 -1.676) 9.879 4.881 ( 4.250 -5.933 4.200) 8.420 4.881 ( 4.250 5.933 4.200) 8.420 5.101 ( -0.588 -6.255 -1.501) 6.459 5.101 ( -0.588 6.255 -1.501) 6.459 5.188 ( 1.641 -3.514 3.439) 5.183 5.188 ( 1.641 3.514 3.439) 5.183 5.504 ( -0.081 -2.588 -0.968) 2.764 5.504 ( -0.081 2.588 -0.968) 2.765 5.868 ( -0.089 -7.077 1.260) 7.188 5.868 ( -0.089 7.077 1.260) 7.188 6.197 ( 1.219 -1.904 -4.632) 5.155 6.197 ( 1.219 1.904 -4.632) 5.155 6.786 ( 4.600 -0.675 0.336) 4.662 6.786 ( 4.600 0.675 0.336) 4.662 7.073 ( -0.030 -5.009 -0.973) 5.103 7.073 ( -0.030 5.009 -0.973) 5.103 7.367 ( 1.275 -3.924 1.602) 4.426 7.367 ( 1.275 3.924 1.602) 4.426 7.554 ( -3.781 -4.552 1.517) 6.109 7.554 ( -3.781 4.552 1.517) 6.109 8.000 ( -1.446 -3.415 3.008) 4.775 8.000 ( -1.446 3.415 3.008) 4.775 8.192 ( 0.276 -4.601 -2.577) 5.281 8.192 ( 0.276 4.601 -2.577) 5.281 9.625 ( 0.613 -4.296 -1.146) 4.489 9.625 ( 0.613 4.296 -1.146) 4.489 9.747 ( -1.899 -7.570 -0.393) 7.814 9.747 ( -1.899 7.570 -0.393) 7.814 9.882 ( -0.747 -3.929 -0.585) 4.042 9.882 ( -0.747 3.929 -0.585) 4.042 10.085 ( -1.620 -2.559 -0.798) 3.132 10.085 ( -1.620 2.559 -0.798) 3.132 10.294 ( 1.057 -3.062 0.707) 3.315 10.294 ( 1.057 3.062 0.707) 3.315 10.435 ( -0.364 -3.651 1.463) 3.950 10.435 ( -0.364 3.651 1.463) 3.950 12.541 ( 1.230 -2.673 0.042) 2.942 12.541 ( 1.230 2.673 0.042) 2.942 12.620 ( 1.543 -2.304 -0.201) 2.780 12.620 ( 1.543 2.304 -0.201) 2.780 13.889 ( -1.651 -1.155 0.524) 2.082 13.889 ( -1.651 1.155 0.524) 2.082 14.034 ( -0.597 -4.507 -0.390) 4.563 14.034 ( -0.597 4.507 -0.390) 4.563 14.728 ( 2.996 -3.031 0.497) 4.291 14.728 ( 2.996 3.031 0.497) 4.291 15.035 ( -2.881 -1.185 -0.371) 3.138 15.035 ( -2.881 1.185 -0.371) 3.138 15.424 ( -2.397 -1.406 -0.235) 2.789 15.424 ( -2.397 1.406 -0.235) 2.789 15.653 ( -2.168 -1.780 0.651) 2.879 15.653 ( -2.168 1.780 0.651) 2.879 15.824 ( 1.500 -3.393 -0.218) 3.716 15.824 ( 1.500 3.393 -0.218) 3.716 16.065 ( -0.816 -1.051 -0.482) 1.415 16.065 ( -0.816 1.051 -0.482) 1.415 16.539 ( 2.041 -1.687 -0.018) 2.648 16.539 ( 2.041 1.687 -0.018) 2.648 16.666 ( 1.913 -2.794 0.037) 3.386 16.666 ( 1.913 2.794 0.037) 3.386 17.459 ( -0.902 -1.197 0.271) 1.523 17.459 ( -0.902 1.197 0.271) 1.523 17.553 ( -3.634 -0.891 0.507) 3.775 17.553 ( -3.634 0.891 0.507) 3.775 21.553 ( -0.003 -1.570 -0.615) 1.686 21.553 ( -0.003 1.570 -0.615) 1.686 21.705 ( -3.658 -1.596 0.411) 4.012 21.705 ( -3.658 1.596 0.411) 4.012 27.301 ( -3.444 -0.292 -2.570) 4.307 27.301 ( -3.444 0.292 -2.570) 4.307 27.533 ( -8.953 -0.607 2.511) 9.318 27.533 ( -8.953 0.607 2.511) 9.318 28.729 ( 1.555 -0.070 -0.421) 1.612 28.729 ( 1.555 0.070 -0.421) 1.612 28.941 ( -3.532 -0.131 0.180) 3.539 28.941 ( -3.532 0.131 0.180) 3.539 29.828 ( -0.181 -0.227 -0.219) 0.364 29.828 ( -0.181 0.227 -0.219) 0.364 30.110 ( -6.752 -0.336 0.056) 6.760 30.110 ( -6.752 0.336 0.056) 6.760 30.755 ( 6.689 -2.985 1.301) 7.439 30.755 ( 6.689 2.985 1.301) 7.439 31.151 ( 4.419 -2.372 -1.456) 5.222 31.151 ( 4.419 2.372 -1.456) 5.222 31.621 ( 1.635 -1.111 0.188) 1.986 31.621 ( 1.635 1.111 0.188) 1.986 31.987 ( 0.592 -5.767 3.235) 6.639 31.987 ( 0.592 5.767 3.235) 6.639 32.549 ( 9.125 -10.599 -5.446) 15.009 32.549 ( 9.125 10.599 -5.446) 15.009 32.992 ( 9.940 -7.669 2.263) 12.756 32.992 ( 9.940 7.669 2.263) 12.756 33.615 ( -6.014 -6.273 1.744) 8.863 33.615 ( -6.014 6.273 1.744) 8.863 33.867 ( -2.639 -7.899 -1.527) 8.467 33.867 ( -2.639 7.899 -1.527) 8.467 ======================= Grid point 118 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.446 -5.079 -0.437) 6.764 1.604 ( 4.446 5.079 -0.437) 6.764 1.970 ( 3.164 -5.955 0.397) 6.755 1.970 ( 3.164 5.955 0.397) 6.755 2.091 ( 5.967 -3.487 1.011) 6.984 2.091 ( 5.967 3.487 1.011) 6.985 2.212 ( 1.540 -2.391 -1.865) 3.401 2.212 ( 1.540 2.391 -1.865) 3.401 2.342 ( 3.324 -1.381 3.817) 5.246 2.342 ( 3.324 1.381 3.817) 5.246 2.706 ( 4.032 -4.693 -3.003) 6.877 2.706 ( 4.032 4.693 -3.003) 6.877 2.884 ( -3.581 -2.733 -3.280) 5.572 2.884 ( -3.581 2.733 -3.280) 5.572 2.999 ( -1.394 -8.449 0.989) 8.620 2.999 ( -1.394 8.449 0.989) 8.620 3.203 ( 3.449 -3.453 3.182) 5.826 3.203 ( 3.449 3.453 3.182) 5.826 3.305 ( 6.040 -8.538 0.206) 10.461 3.305 ( 6.040 8.538 0.206) 10.461 3.437 ( -3.921 -2.459 1.838) 4.980 3.437 ( -3.921 2.459 1.838) 4.980 3.636 ( -5.738 -1.666 1.790) 6.237 3.636 ( -5.738 1.666 1.790) 6.237 3.883 ( 1.336 -6.655 -0.522) 6.808 3.883 ( 1.336 6.655 -0.522) 6.808 4.088 ( -2.249 -5.087 -5.098) 7.545 4.088 ( -2.248 5.087 -5.098) 7.545 4.241 ( 0.563 -3.385 0.996) 3.574 4.241 ( 0.563 3.385 0.996) 3.574 4.421 ( 1.002 -5.907 -1.303) 6.132 4.421 ( 1.002 5.907 -1.303) 6.132 4.474 ( 2.254 -0.857 1.002) 2.611 4.474 ( 2.254 0.857 1.002) 2.611 4.733 ( 4.578 -3.658 -2.101) 6.226 4.733 ( 4.578 3.658 -2.101) 6.226 5.003 ( 5.373 -6.776 3.335) 9.269 5.003 ( 5.373 6.776 3.335) 9.269 5.084 ( -1.552 -5.493 1.004) 5.795 5.084 ( -1.552 5.493 1.004) 5.795 5.299 ( 7.073 -2.057 1.659) 7.550 5.299 ( 7.073 2.057 1.659) 7.550 5.509 ( 1.213 -3.930 -1.629) 4.424 5.509 ( 1.213 3.930 -1.629) 4.424 5.844 ( -2.764 -6.103 0.064) 6.700 5.844 ( -2.764 6.103 0.064) 6.700 6.187 ( 0.907 -2.689 -2.895) 4.054 6.187 ( 0.907 2.689 -2.895) 4.054 6.866 ( 3.403 -1.227 -0.320) 3.631 6.866 ( 3.403 1.227 -0.320) 3.631 7.074 ( 0.908 -3.922 -0.005) 4.025 7.074 ( 0.908 3.922 -0.005) 4.025 7.382 ( -0.144 -3.467 0.403) 3.493 7.382 ( -0.144 3.467 0.403) 3.493 7.495 ( -3.407 -4.361 0.623) 5.569 7.495 ( -3.407 4.361 0.623) 5.569 7.994 ( -2.022 -3.261 3.495) 5.190 7.994 ( -2.022 3.261 3.495) 5.190 8.183 ( 0.834 -4.023 -2.387) 4.752 8.183 ( 0.834 4.023 -2.387) 4.752 9.623 ( -0.434 -2.848 -0.385) 2.907 9.623 ( -0.434 2.848 -0.385) 2.907 9.729 ( -0.042 -5.656 0.936) 5.733 9.729 ( -0.042 5.656 0.936) 5.733 9.872 ( 0.055 -1.447 0.460) 1.519 9.872 ( 0.055 1.447 0.460) 1.519 10.055 ( -0.889 -2.179 -0.561) 2.419 10.055 ( -0.889 2.179 -0.561) 2.419 10.310 ( 0.504 -4.515 -0.424) 4.563 10.310 ( 0.504 4.515 -0.424) 4.563 10.426 ( -1.071 -5.543 -0.795) 5.701 10.426 ( -1.071 5.543 -0.795) 5.701 12.561 ( 0.769 -1.888 0.130) 2.042 12.561 ( 0.769 1.888 0.130) 2.042 12.643 ( 0.979 -1.240 -0.002) 1.580 12.643 ( 0.979 1.240 -0.002) 1.580 13.873 ( -0.739 -1.591 0.984) 2.012 13.873 ( -0.739 1.591 0.984) 2.012 14.024 ( -0.002 -4.510 -1.042) 4.629 14.024 ( -0.002 4.510 -1.042) 4.629 14.802 ( 4.335 -3.006 0.733) 5.326 14.802 ( 4.335 3.006 0.733) 5.326 14.963 ( -4.426 -1.209 -0.396) 4.605 14.963 ( -4.426 1.209 -0.396) 4.605 15.391 ( -1.260 -0.715 0.471) 1.523 15.391 ( -1.260 0.715 0.471) 1.523 15.623 ( -1.145 -1.147 -0.430) 1.677 15.623 ( -1.145 1.147 -0.430) 1.677 15.847 ( 1.084 -1.836 -0.264) 2.148 15.847 ( 1.084 1.836 -0.264) 2.148 16.050 ( -0.535 -0.297 -0.105) 0.621 16.050 ( -0.535 0.297 -0.105) 0.621 16.570 ( 1.134 -0.745 0.613) 1.489 16.570 ( 1.134 0.745 0.613) 1.489 16.692 ( 0.900 -3.513 -0.220) 3.633 16.692 ( 0.900 3.513 -0.220) 3.633 17.449 ( -0.226 -0.621 -0.021) 0.661 17.449 ( -0.226 0.621 -0.021) 0.661 17.497 ( -2.546 -0.644 0.186) 2.633 17.497 ( -2.546 0.644 0.186) 2.633 21.549 ( 0.114 -1.404 -0.523) 1.503 21.549 ( 0.114 1.404 -0.523) 1.503 21.657 ( -1.898 -1.409 0.299) 2.383 21.657 ( -1.898 1.409 0.299) 2.383 27.239 ( -1.281 -0.463 -0.878) 1.621 27.239 ( -1.281 0.463 -0.878) 1.621 27.415 ( -5.543 -0.959 0.892) 5.696 27.415 ( -5.543 0.959 0.892) 5.696 28.757 ( 1.646 -0.046 -0.269) 1.668 28.757 ( 1.646 0.046 -0.269) 1.668 28.885 ( -2.586 -0.153 0.231) 2.600 28.885 ( -2.586 0.153 0.231) 2.600 29.839 ( 1.468 -0.308 -0.320) 1.533 29.839 ( 1.468 0.308 -0.320) 1.533 30.002 ( -4.972 -0.283 0.139) 4.982 30.002 ( -4.972 0.283 0.139) 4.982 30.873 ( 4.383 -2.803 1.613) 5.447 30.873 ( 4.383 2.803 1.613) 5.447 31.194 ( 1.872 -2.994 -1.857) 3.989 31.194 ( 1.872 2.994 -1.857) 3.989 31.662 ( 1.358 -1.041 2.600) 3.113 31.662 ( 1.358 1.041 2.600) 3.113 31.966 ( -2.033 -2.772 -2.298) 4.135 31.966 ( -2.033 2.772 -2.298) 4.135 32.683 ( 6.835 -10.223 -0.051) 12.298 32.683 ( 6.835 10.223 -0.051) 12.298 33.145 ( 5.157 -10.193 0.578) 11.438 33.145 ( 5.157 10.193 0.578) 11.438 33.526 ( -4.255 -7.359 0.601) 8.521 33.526 ( -4.255 7.359 0.601) 8.521 33.830 ( -0.525 -9.528 -0.973) 9.592 33.830 ( -0.525 9.528 -0.973) 9.592 ======================= Grid point 120 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 4.361 -4.119 4.312) 7.388 1.705 ( 4.361 4.119 4.312) 7.388 1.914 ( -5.362 -4.435 -5.401) 8.809 1.914 ( -5.362 4.435 -5.401) 8.809 2.169 ( -0.269 -2.744 1.624) 3.200 2.169 ( -0.269 2.744 1.624) 3.200 2.246 ( 2.246 -3.402 1.175) 4.242 2.246 ( 2.246 3.402 1.175) 4.242 2.417 ( 0.077 -4.718 3.052) 5.619 2.417 ( 0.077 4.718 3.052) 5.619 2.706 ( -4.130 -4.061 -6.836) 8.960 2.706 ( -4.130 4.061 -6.836) 8.960 2.817 ( 3.336 -2.759 1.455) 4.567 2.817 ( 3.336 2.759 1.455) 4.567 2.952 ( -1.748 -3.805 -2.327) 4.790 2.952 ( -1.748 3.805 -2.327) 4.790 3.289 ( -0.264 -4.920 6.128) 7.863 3.289 ( -0.264 4.920 6.128) 7.863 3.399 ( 1.400 -9.279 0.662) 9.408 3.399 ( 1.400 9.279 0.662) 9.408 3.448 ( 0.892 -1.361 3.281) 3.662 3.448 ( 0.891 1.361 3.281) 3.662 3.556 ( 0.194 -2.039 2.151) 2.970 3.556 ( 0.194 2.039 2.151) 2.970 3.865 ( -0.883 -10.074 -2.454) 10.406 3.865 ( -0.883 10.074 -2.454) 10.406 4.039 ( 3.775 -5.291 -8.176) 10.445 4.039 ( 3.775 5.292 -8.176) 10.445 4.266 ( 0.436 -1.855 1.720) 2.567 4.266 ( 0.436 1.856 1.720) 2.567 4.418 ( -0.754 -3.856 1.424) 4.179 4.418 ( -0.754 3.856 1.424) 4.179 4.486 ( -2.212 -1.639 2.807) 3.932 4.486 ( -2.212 1.639 2.807) 3.932 4.754 ( -0.533 -0.765 -5.914) 5.987 4.754 ( -0.533 0.765 -5.913) 5.987 5.057 ( -2.009 -5.624 2.756) 6.577 5.057 ( -2.009 5.624 2.756) 6.577 5.102 ( 1.673 -7.776 2.284) 8.275 5.102 ( 1.673 7.776 2.284) 8.275 5.397 ( 0.480 -6.105 1.461) 6.296 5.397 ( 0.480 6.105 1.461) 6.296 5.512 ( 0.303 -6.787 -1.879) 7.049 5.512 ( 0.303 6.787 -1.879) 7.049 5.791 ( -1.648 -3.089 -0.806) 3.593 5.791 ( -1.648 3.089 -0.806) 3.593 6.193 ( 1.789 -3.421 -1.894) 4.300 6.193 ( 1.789 3.421 -1.894) 4.300 6.889 ( -0.518 -0.780 -0.617) 1.122 6.889 ( -0.518 0.780 -0.617) 1.122 7.106 ( 1.543 -3.447 1.226) 3.970 7.106 ( 1.543 3.447 1.226) 3.970 7.370 ( -1.067 -2.942 -1.265) 3.376 7.370 ( -1.067 2.942 -1.265) 3.376 7.457 ( -0.496 -2.783 0.895) 2.965 7.457 ( -0.496 2.783 0.895) 2.965 7.984 ( -1.665 -4.664 3.221) 5.907 7.984 ( -1.665 4.664 3.221) 5.907 8.186 ( 1.355 -3.582 -2.162) 4.398 8.186 ( 1.355 3.582 -2.162) 4.398 9.610 ( -0.118 -3.914 -0.708) 3.980 9.610 ( -0.118 3.914 -0.708) 3.980 9.746 ( 0.449 -4.660 1.469) 4.906 9.746 ( 0.449 4.660 1.469) 4.906 9.898 ( 0.993 -3.257 2.908) 4.478 9.898 ( 0.993 3.257 2.908) 4.478 10.046 ( 0.348 -2.544 -0.723) 2.667 10.046 ( 0.348 2.544 -0.723) 2.667 10.306 ( -0.429 -6.306 -1.064) 6.409 10.306 ( -0.429 6.306 -1.064) 6.409 10.389 ( -1.018 -7.328 -2.557) 7.827 10.389 ( -1.018 7.328 -2.557) 7.827 12.569 ( -0.055 -1.197 0.148) 1.207 12.569 ( -0.055 1.197 0.148) 1.207 12.654 ( 0.137 -0.336 0.113) 0.380 12.654 ( 0.137 0.336 0.113) 0.380 13.875 ( -0.086 -1.561 1.343) 2.061 13.875 ( -0.086 1.561 1.343) 2.061 14.015 ( 0.036 -3.826 -1.511) 4.114 14.015 ( 0.036 3.826 -1.511) 4.114 14.860 ( -2.220 -1.127 -0.464) 2.533 14.860 ( -2.220 1.127 -0.464) 2.533 14.908 ( 2.338 -0.777 0.983) 2.653 14.908 ( 2.338 0.777 0.983) 2.653 15.384 ( 0.080 -0.178 0.693) 0.719 15.384 ( 0.080 0.178 0.693) 0.719 15.605 ( -0.241 -0.263 -0.847) 0.919 15.605 ( -0.241 0.263 -0.847) 0.919 15.856 ( 0.007 -0.267 -0.296) 0.399 15.856 ( 0.007 0.267 -0.296) 0.399 16.045 ( 0.074 -0.246 -0.092) 0.272 16.045 ( 0.074 0.246 -0.092) 0.272 16.590 ( 0.223 -1.041 1.186) 1.594 16.590 ( 0.223 1.041 1.186) 1.594 16.695 ( -0.115 -2.735 -0.592) 2.800 16.695 ( -0.115 2.735 -0.592) 2.800 17.450 ( 0.077 -1.082 -0.113) 1.090 17.450 ( 0.077 1.082 -0.113) 1.090 17.468 ( -0.346 -1.334 0.022) 1.378 17.468 ( -0.346 1.334 0.022) 1.378 21.550 ( 0.189 -0.627 -0.184) 0.680 21.550 ( 0.189 0.627 -0.184) 0.680 21.638 ( -0.167 -0.421 0.009) 0.453 21.638 ( -0.167 0.421 0.009) 0.453 27.252 ( 2.199 -0.652 1.750) 2.885 27.252 ( 2.199 0.652 1.750) 2.885 27.339 ( -2.181 -0.887 -1.705) 2.907 27.339 ( -2.181 0.887 -1.705) 2.907 28.778 ( 0.364 -0.130 -0.158) 0.418 28.778 ( 0.364 0.130 -0.158) 0.418 28.857 ( -0.298 -0.180 0.232) 0.419 28.857 ( -0.298 0.180 0.232) 0.419 29.861 ( 0.086 -0.610 -0.238) 0.660 29.861 ( 0.086 0.610 -0.238) 0.660 29.947 ( -0.065 -0.284 0.116) 0.314 29.947 ( -0.065 0.284 0.116) 0.314 30.922 ( -0.707 -2.250 1.728) 2.924 30.922 ( -0.707 2.250 1.728) 2.924 31.203 ( 0.942 -3.355 -1.954) 3.995 31.203 ( 0.942 3.355 -1.954) 3.995 31.698 ( -0.162 -0.054 3.852) 3.855 31.698 ( -0.162 0.054 3.852) 3.855 31.911 ( -0.915 -0.813 -4.253) 4.426 31.911 ( -0.915 0.813 -4.253) 4.426 32.779 ( 2.562 -9.742 1.913) 10.253 32.779 ( 2.562 9.742 1.913) 10.253 33.175 ( -1.751 -11.802 -0.992) 11.972 33.175 ( -1.751 11.802 -0.992) 11.972 33.483 ( -0.831 -6.511 0.844) 6.618 33.483 ( -0.831 6.511 0.844) 6.618 33.825 ( 0.815 -9.019 -1.042) 9.115 33.825 ( 0.815 9.019 -1.042) 9.115 ======================= Grid point 124 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -7.443 -6.579 -4.551) 10.927 1.735 ( -7.443 6.579 -4.551) 10.927 1.801 ( -0.211 -4.807 4.555) 6.626 1.801 ( -0.211 4.807 4.555) 6.626 2.139 ( -1.625 -6.553 0.279) 6.757 2.139 ( -1.625 6.553 0.279) 6.757 2.266 ( -5.717 -2.822 0.230) 6.380 2.266 ( -5.717 2.822 0.230) 6.380 2.335 ( -6.657 -4.092 3.232) 8.456 2.335 ( -6.657 4.092 3.232) 8.456 2.610 ( -0.845 -0.725 -4.750) 4.879 2.610 ( -0.845 0.725 -4.750) 4.879 2.861 ( -0.960 -3.043 0.921) 3.321 2.861 ( -0.960 3.043 0.921) 3.321 2.965 ( 2.099 -6.300 -0.982) 6.712 2.965 ( 2.099 6.300 -0.982) 6.712 3.259 ( -4.795 -2.208 0.775) 5.336 3.259 ( -4.795 2.208 0.775) 5.336 3.329 ( -1.536 -5.247 -0.140) 5.470 3.329 ( -1.536 5.248 -0.140) 5.470 3.590 ( 4.769 -2.939 5.916) 8.147 3.590 ( 4.769 2.939 5.916) 8.147 3.630 ( 5.127 -0.633 -0.546) 5.194 3.630 ( 5.127 0.633 -0.546) 5.194 3.846 ( -0.265 -6.887 0.165) 6.894 3.846 ( -0.265 6.887 0.165) 6.894 4.079 ( 4.436 -3.069 -5.414) 7.643 4.079 ( 4.436 3.069 -5.414) 7.643 4.284 ( 1.297 -3.726 -1.500) 4.220 4.284 ( 1.297 3.726 -1.500) 4.220 4.407 ( -1.987 -2.106 -1.031) 3.074 4.407 ( -1.987 2.106 -1.031) 3.074 4.452 ( -3.580 -2.938 5.411) 7.122 4.452 ( -3.580 2.938 5.411) 7.122 4.637 ( -5.550 -3.375 -5.135) 8.280 4.637 ( -5.550 3.375 -5.135) 8.280 5.015 ( -5.853 -9.150 3.869) 11.531 5.015 ( -5.853 9.150 3.869) 11.531 5.112 ( -1.642 -8.783 0.475) 8.948 5.112 ( -1.642 8.783 0.475) 8.948 5.354 ( -5.293 -5.437 3.890) 8.527 5.354 ( -5.293 5.437 3.890) 8.527 5.479 ( -0.862 -2.876 -3.968) 4.976 5.479 ( -0.862 2.876 -3.968) 4.976 5.791 ( 1.153 -4.130 0.158) 4.290 5.791 ( 1.153 4.130 0.158) 4.291 6.214 ( 2.070 -3.445 -2.819) 4.909 6.214 ( 2.070 3.445 -2.819) 4.909 6.845 ( -3.731 -0.609 -0.094) 3.781 6.845 ( -3.731 0.609 -0.094) 3.781 7.124 ( -0.510 -2.790 -0.066) 2.837 7.124 ( -0.510 2.790 -0.066) 2.837 7.340 ( -0.805 -6.485 -0.388) 6.546 7.340 ( -0.805 6.485 -0.388) 6.546 7.494 ( 3.091 -4.573 1.520) 5.725 7.494 ( 3.091 4.573 1.520) 5.725 7.984 ( -0.849 -6.845 2.792) 7.441 7.984 ( -0.849 6.845 2.792) 7.441 8.200 ( 1.758 -3.471 -1.883) 4.323 8.200 ( 1.758 3.471 -1.883) 4.323 9.616 ( 1.187 -5.767 -0.391) 5.901 9.616 ( 1.187 5.767 -0.391) 5.901 9.767 ( 0.966 -2.641 0.812) 2.926 9.767 ( 0.966 2.641 0.812) 2.926 9.923 ( -1.191 -3.279 1.683) 3.873 9.923 ( -1.191 3.279 1.683) 3.873 10.052 ( 1.352 -4.441 -1.593) 4.908 10.052 ( 1.352 4.441 -1.593) 4.908 10.278 ( -1.403 -7.828 -0.609) 7.976 10.278 ( -1.403 7.828 -0.609) 7.976 10.376 ( 1.198 -7.707 -0.664) 7.828 10.376 ( 1.198 7.707 -0.664) 7.828 12.562 ( -0.819 -1.181 0.127) 1.443 12.562 ( -0.819 1.181 0.127) 1.443 12.648 ( -0.820 -1.437 -0.003) 1.654 12.648 ( -0.820 1.437 -0.003) 1.654 13.889 ( 0.475 -1.269 1.288) 1.870 13.889 ( 0.475 1.269 1.288) 1.870 14.005 ( 0.252 -2.626 -1.342) 2.960 14.005 ( 0.252 2.626 -1.342) 2.960 14.793 ( -3.722 -1.056 0.641) 3.922 14.793 ( -3.722 1.056 0.641) 3.922 14.981 ( 3.846 -1.903 -0.304) 4.302 14.981 ( 3.846 1.903 -0.304) 4.302 15.405 ( 1.566 -1.588 0.543) 2.295 15.405 ( 1.566 1.588 0.543) 2.295 15.603 ( 0.692 -0.634 -0.500) 1.064 15.603 ( 0.692 0.634 -0.500) 1.064 15.843 ( -1.055 -1.796 -0.277) 2.101 15.843 ( -1.055 1.796 -0.277) 2.101 16.053 ( 0.882 -0.915 -0.089) 1.274 16.053 ( 0.882 0.915 -0.089) 1.274 16.589 ( -1.267 -1.124 0.691) 1.830 16.589 ( -1.267 1.124 0.691) 1.830 16.684 ( -0.610 -0.491 -0.302) 0.839 16.684 ( -0.610 0.491 -0.302) 0.839 17.446 ( 0.004 -2.361 -0.007) 2.361 17.446 ( 0.004 2.361 -0.007) 2.361 17.491 ( 2.282 -1.957 0.169) 3.011 17.491 ( 2.282 1.957 0.169) 3.011 21.546 ( -0.380 -1.161 -0.519) 1.327 21.546 ( -0.380 1.161 -0.519) 1.327 21.656 ( 2.060 -1.451 0.294) 2.537 21.656 ( 2.060 1.451 0.294) 2.537 27.281 ( -0.159 -0.571 -1.670) 1.773 27.281 ( -0.159 0.571 -1.670) 1.773 27.374 ( 7.033 -0.853 1.685) 7.282 27.374 ( 7.033 0.853 1.685) 7.282 28.763 ( -1.409 -0.448 -0.289) 1.507 28.763 ( -1.409 0.448 -0.289) 1.507 28.882 ( 2.398 -0.556 0.251) 2.474 28.882 ( 2.398 0.556 0.251) 2.474 29.835 ( -1.670 -0.541 -0.313) 1.783 29.835 ( -1.670 0.541 -0.313) 1.783 30.003 ( 5.037 -0.587 0.134) 5.073 30.003 ( 5.037 0.587 0.134) 5.073 30.876 ( -5.329 -1.986 1.625) 5.915 30.876 ( -5.329 1.986 1.625) 5.915 31.194 ( -0.638 -2.922 -1.861) 3.523 31.194 ( -0.638 2.922 -1.861) 3.523 31.730 ( 0.112 -1.200 5.687) 5.813 31.730 ( 0.112 1.200 5.687) 5.813 31.854 ( -1.798 -2.567 -5.328) 6.182 31.854 ( -1.798 2.567 -5.328) 6.182 32.796 ( -1.854 -6.533 -0.337) 6.800 32.796 ( -1.854 6.533 -0.337) 6.800 33.084 ( -7.400 -8.659 0.822) 11.420 33.084 ( -7.400 8.659 0.822) 11.420 33.498 ( 1.715 -3.216 0.462) 3.674 33.498 ( 1.715 3.216 0.462) 3.674 33.847 ( 2.510 -8.079 -0.859) 8.504 33.847 ( 2.510 8.079 -0.859) 8.504 ======================= Grid point 126 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -6.249 -9.748 -4.721) 12.504 1.566 ( -6.249 9.748 -4.721) 12.504 1.784 ( -6.555 -1.346 6.484) 9.318 1.784 ( -6.555 1.346 6.484) 9.318 2.022 ( -8.835 -3.686 -5.080) 10.837 2.022 ( -8.835 3.686 -5.080) 10.837 2.202 ( -2.460 -5.312 6.509) 8.754 2.202 ( -2.460 5.312 6.509) 8.754 2.247 ( -2.864 -4.853 -2.300) 6.086 2.247 ( -2.864 4.853 -2.300) 6.086 2.586 ( 0.546 -2.330 -2.492) 3.455 2.586 ( 0.546 2.330 -2.492) 3.455 2.815 ( -5.152 -5.101 1.355) 7.375 2.815 ( -5.152 5.101 1.355) 7.375 2.925 ( -5.051 -5.320 1.278) 7.447 2.925 ( -5.051 5.320 1.278) 7.447 3.147 ( -6.556 -2.911 -0.909) 7.231 3.147 ( -6.556 2.911 -0.909) 7.231 3.389 ( 2.706 -3.719 -2.027) 5.026 3.389 ( 2.706 3.719 -2.027) 5.026 3.570 ( -1.148 -3.450 -2.922) 4.665 3.570 ( -1.148 3.450 -2.922) 4.665 3.744 ( -4.030 -4.172 6.871) 8.992 3.744 ( -4.030 4.172 6.871) 8.992 3.851 ( 3.400 -2.423 -3.044) 5.167 3.851 ( 3.400 2.423 -3.044) 5.167 4.063 ( -2.527 -2.908 -0.264) 3.862 4.063 ( -2.527 2.908 -0.264) 3.862 4.267 ( -4.541 -4.973 -2.265) 7.105 4.267 ( -4.541 4.973 -2.265) 7.105 4.311 ( -5.522 -2.805 0.576) 6.220 4.311 ( -5.522 2.805 0.576) 6.220 4.440 ( 2.250 -10.845 -0.804) 11.105 4.440 ( 2.250 10.845 -0.804) 11.105 4.571 ( -0.439 -4.336 -1.032) 4.479 4.571 ( -0.439 4.336 -1.032) 4.479 4.923 ( -6.238 -7.183 4.976) 10.736 4.923 ( -6.238 7.183 4.976) 10.736 5.086 ( 0.433 -5.118 -1.544) 5.363 5.086 ( 0.433 5.118 -1.544) 5.363 5.306 ( -3.044 -5.514 3.623) 7.266 5.306 ( -3.044 5.514 3.623) 7.266 5.455 ( 1.841 -3.453 -2.662) 4.732 5.455 ( 1.841 3.453 -2.662) 4.732 5.803 ( -0.993 -4.443 1.300) 4.734 5.803 ( -0.993 4.443 1.300) 4.734 6.217 ( 1.349 -3.310 -4.564) 5.798 6.217 ( 1.349 3.311 -4.564) 5.798 6.764 ( -4.846 -1.470 0.707) 5.113 6.764 ( -4.846 1.470 0.707) 5.113 7.095 ( -1.497 -0.630 -1.604) 2.282 7.095 ( -1.497 0.630 -1.604) 2.282 7.333 ( -1.171 -6.564 2.201) 7.021 7.333 ( -1.171 6.564 2.201) 7.021 7.582 ( 4.897 -4.781 1.419) 6.989 7.582 ( 4.897 4.781 1.419) 6.989 7.993 ( -0.363 -7.820 2.339) 8.170 7.993 ( -0.363 7.820 2.339) 8.170 8.214 ( 1.199 -3.634 -1.976) 4.307 8.214 ( 1.199 3.634 -1.976) 4.307 9.640 ( 1.340 -6.535 -0.721) 6.710 9.640 ( 1.340 6.535 -0.721) 6.710 9.789 ( 0.832 -0.604 -0.687) 1.236 9.789 ( 0.832 0.604 -0.687) 1.236 9.873 ( -2.917 -5.086 -1.219) 5.989 9.873 ( -2.917 5.086 -1.219) 5.989 10.079 ( 2.315 -4.898 -0.688) 5.461 10.079 ( 2.315 4.898 -0.688) 5.461 10.258 ( -1.113 -7.923 1.227) 8.095 10.258 ( -1.113 7.923 1.227) 8.095 10.414 ( 2.278 -6.730 1.328) 7.228 10.414 ( 2.278 6.730 1.328) 7.228 12.544 ( -1.149 -2.014 0.045) 2.319 12.544 ( -1.149 2.014 0.045) 2.319 12.624 ( -1.634 -2.459 -0.205) 2.959 12.624 ( -1.634 2.459 -0.205) 2.959 13.912 ( 1.206 -1.198 0.721) 1.847 13.912 ( 1.206 1.198 0.721) 1.847 14.009 ( 1.178 -1.459 -0.582) 1.963 14.009 ( 1.178 1.459 -0.582) 1.963 14.738 ( -2.857 -2.517 0.508) 3.841 14.738 ( -2.857 2.517 0.508) 3.841 15.038 ( 2.697 -2.466 -0.390) 3.675 15.038 ( 2.697 2.466 -0.390) 3.675 15.443 ( 2.172 -1.412 -0.328) 2.611 15.443 ( 2.172 1.412 -0.328) 2.611 15.633 ( 2.790 -2.752 0.747) 3.989 15.633 ( 2.790 2.752 0.747) 3.989 15.817 ( -1.479 -3.253 -0.220) 3.581 15.817 ( -1.479 3.253 -0.220) 3.581 16.070 ( 0.908 -1.771 -0.470) 2.045 16.070 ( 0.908 1.771 -0.470) 2.045 16.556 ( -2.383 -0.434 -0.064) 2.423 16.556 ( -2.383 0.434 -0.064) 2.423 16.667 ( -1.240 -2.889 0.059) 3.145 16.667 ( -1.240 2.889 0.059) 3.145 17.456 ( 0.987 -3.166 0.330) 3.333 17.456 ( 0.987 3.166 0.330) 3.333 17.547 ( 3.393 -1.803 0.470) 3.871 17.547 ( 3.393 1.803 0.470) 3.871 21.531 ( -0.746 -0.800 -0.540) 1.220 21.531 ( -0.746 0.800 -0.540) 1.220 21.715 ( 3.908 -1.391 0.331) 4.161 21.715 ( 3.908 1.391 0.331) 4.161 27.276 ( 1.435 -0.344 -2.109) 2.575 27.276 ( 1.435 0.344 -2.109) 2.575 27.561 ( 11.165 -0.851 2.053) 11.384 27.561 ( 11.165 0.851 2.053) 11.384 28.732 ( -1.463 -0.390 -0.424) 1.572 28.732 ( -1.463 0.390 -0.424) 1.572 28.938 ( 3.417 -0.828 0.177) 3.521 28.938 ( 3.417 0.828 0.177) 3.521 29.812 ( -0.475 -0.472 -0.196) 0.698 29.812 ( -0.475 0.472 -0.196) 0.698 30.114 ( 6.649 -0.590 0.043) 6.675 30.114 ( 6.649 0.590 0.043) 6.675 30.768 ( -7.293 -1.274 1.335) 7.523 30.768 ( -7.293 1.274 1.335) 7.523 31.146 ( -3.296 -3.038 -1.457) 4.713 31.146 ( -3.296 3.038 -1.457) 4.713 31.748 ( -4.292 -2.864 -4.529) 6.865 31.748 ( -4.292 2.864 -4.529) 6.865 31.800 ( 0.867 -1.942 7.094) 7.406 31.800 ( 0.867 1.942 7.094) 7.406 32.687 ( -7.256 -1.271 -6.797) 10.023 32.687 ( -7.256 1.271 -6.797) 10.023 32.933 ( -10.957 -4.386 4.464) 12.618 32.933 ( -10.957 4.386 4.464) 12.618 33.560 ( 4.450 -3.750 1.282) 5.959 33.560 ( 4.450 3.750 1.282) 5.959 33.906 ( 4.620 -7.782 -1.096) 9.116 33.906 ( 4.620 7.782 -1.096) 9.116 ======================= Grid point 128 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -4.391 -9.202 -2.418) 10.479 1.441 ( -4.391 9.202 -2.418) 10.479 1.661 ( -10.228 -9.480 4.718) 14.722 1.661 ( -10.228 9.480 4.718) 14.722 1.894 ( -2.278 -5.944 0.190) 6.369 1.894 ( -2.278 5.944 0.190) 6.369 2.064 ( -8.010 -4.260 -1.811) 9.252 2.064 ( -8.010 4.260 -1.811) 9.252 2.326 ( 3.905 -5.544 1.373) 6.918 2.326 ( 3.905 5.544 1.373) 6.918 2.537 ( -4.249 -1.930 -2.907) 5.499 2.537 ( -4.249 1.930 -2.907) 5.499 2.741 ( -5.901 -6.574 5.141) 10.221 2.741 ( -5.901 6.574 5.141) 10.221 2.802 ( -7.354 -6.135 -0.739) 9.605 2.802 ( -7.354 6.135 -0.739) 9.605 3.018 ( -5.929 -5.810 -0.898) 8.350 3.018 ( -5.929 5.810 -0.898) 8.350 3.259 ( -11.537 -11.771 0.387) 16.486 3.259 ( -11.537 11.771 0.387) 16.486 3.544 ( -7.159 -6.273 -1.399) 9.621 3.544 ( -7.159 6.273 -1.399) 9.621 3.662 ( -0.487 -1.577 -2.312) 2.841 3.662 ( -0.487 1.577 -2.312) 2.841 3.846 ( -1.606 -2.746 -2.700) 4.172 3.846 ( -1.606 2.746 -2.700) 4.172 4.019 ( -2.998 -5.236 -2.468) 6.519 4.019 ( -2.998 5.236 -2.468) 6.519 4.171 ( -1.194 -6.574 0.217) 6.685 4.171 ( -1.194 6.574 0.217) 6.685 4.275 ( 0.353 -4.121 2.576) 4.873 4.275 ( 0.353 4.121 2.576) 4.873 4.477 ( -1.512 -2.977 -2.365) 4.092 4.477 ( -1.512 2.977 -2.365) 4.092 4.551 ( -0.441 -10.903 3.882) 11.582 4.551 ( -0.441 10.903 3.882) 11.582 4.889 ( -1.097 -5.626 2.549) 6.273 4.889 ( -1.097 5.626 2.549) 6.273 5.096 ( 0.918 -4.801 -0.843) 4.960 5.096 ( 0.918 4.801 -0.843) 4.960 5.289 ( 0.525 -4.453 -2.550) 5.158 5.289 ( 0.525 4.453 -2.550) 5.158 5.528 ( 5.970 -4.082 2.255) 7.576 5.528 ( 5.970 4.082 2.255) 7.576 5.768 ( -4.175 -2.541 2.394) 5.443 5.768 ( -4.175 2.541 2.394) 5.443 6.204 ( 2.015 -2.572 -6.137) 6.953 6.204 ( 2.015 2.572 -6.137) 6.953 6.700 ( -2.495 -2.489 1.698) 3.912 6.700 ( -2.495 2.489 1.698) 3.912 7.051 ( -2.328 -2.063 -0.718) 3.193 7.051 ( -2.328 2.063 -0.718) 3.193 7.318 ( -2.781 -3.832 2.704) 5.453 7.318 ( -2.781 3.832 2.704) 5.453 7.683 ( 5.010 -3.991 0.197) 6.408 7.683 ( 5.010 3.991 0.197) 6.408 8.007 ( 0.013 -7.498 2.005) 7.762 8.007 ( 0.013 7.498 2.005) 7.762 8.210 ( 0.273 -3.165 -2.283) 3.912 8.210 ( 0.273 3.165 -2.283) 3.912 9.615 ( -2.815 -2.722 -3.128) 5.012 9.615 ( -2.815 2.722 -3.128) 5.012 9.780 ( 0.265 -6.385 0.243) 6.395 9.780 ( 0.265 6.385 0.243) 6.395 9.868 ( 1.756 -4.082 0.606) 4.485 9.868 ( 1.756 4.082 0.606) 4.485 10.110 ( 1.086 -5.998 -0.265) 6.101 10.110 ( 1.086 5.998 -0.265) 6.101 10.254 ( -0.424 -7.177 1.392) 7.323 10.254 ( -0.424 7.177 1.392) 7.323 10.464 ( 1.882 -4.691 1.017) 5.156 10.464 ( 1.882 4.691 1.017) 5.156 12.522 ( -1.107 -2.953 -0.156) 3.157 12.522 ( -1.107 2.953 -0.156) 3.157 12.589 ( -1.832 -3.035 -0.172) 3.549 12.589 ( -1.832 3.035 -0.172) 3.549 13.942 ( 1.535 -2.148 0.148) 2.644 13.942 ( 1.535 2.148 0.148) 2.644 14.043 ( 2.779 -1.019 0.010) 2.960 14.043 ( 2.779 1.019 0.010) 2.960 14.696 ( -1.825 -4.039 -0.014) 4.433 14.696 ( -1.825 4.039 -0.014) 4.433 15.077 ( 1.678 -2.516 0.012) 3.024 15.077 ( 1.678 2.516 0.012) 3.024 15.474 ( 1.720 -0.272 -0.732) 1.889 15.474 ( 1.720 0.272 -0.732) 1.889 15.711 ( 4.090 -3.219 1.109) 5.322 15.711 ( 4.090 3.219 1.109) 5.322 15.793 ( -0.679 -4.973 -0.219) 5.023 15.793 ( -0.679 4.973 -0.219) 5.023 16.073 ( 0.020 -2.868 -0.876) 2.999 16.073 ( 0.020 2.868 -0.876) 2.999 16.507 ( -2.691 -1.000 -0.311) 2.888 16.507 ( -2.691 1.000 -0.311) 2.888 16.641 ( -1.362 -3.338 -0.212) 3.612 16.641 ( -1.362 3.338 -0.212) 3.612 17.485 ( 1.726 -3.480 0.296) 3.895 17.485 ( 1.726 3.480 0.296) 3.895 17.617 ( 3.429 -1.552 0.836) 3.855 17.617 ( 3.429 1.552 0.836) 3.855 21.516 ( -0.668 -0.251 0.298) 0.773 21.516 ( -0.668 0.251 0.298) 0.773 21.798 ( 4.786 -1.038 -0.002) 4.897 21.798 ( 4.786 1.038 -0.002) 4.897 27.302 ( 2.318 -0.133 -0.334) 2.346 27.302 ( 2.318 0.133 -0.334) 2.346 27.796 ( 12.804 -0.981 0.060) 12.842 27.796 ( 12.804 0.981 0.060) 12.842 28.705 ( -1.130 -0.187 -0.427) 1.222 28.705 ( -1.130 0.187 -0.427) 1.222 29.010 ( 4.328 -1.458 -0.002) 4.567 29.010 ( 4.328 1.458 -0.002) 4.567 29.819 ( 1.325 -0.708 0.545) 1.598 29.819 ( 1.325 0.708 0.545) 1.598 30.239 ( 6.732 -0.195 0.106) 6.736 30.239 ( 6.732 0.195 0.106) 6.736 30.642 ( -7.009 -0.800 0.979) 7.122 30.642 ( -7.009 0.800 0.979) 7.122 31.048 ( -6.163 -3.107 -1.357) 7.034 31.048 ( -6.163 3.107 -1.357) 7.034 31.624 ( -4.954 -1.855 -2.994) 6.078 31.624 ( -4.954 1.855 -2.994) 6.078 31.886 ( 1.167 -4.489 8.691) 9.851 31.886 ( 1.167 4.489 8.691) 9.851 32.437 ( -12.139 -4.194 -9.888) 16.208 32.437 ( -12.139 4.194 -9.888) 16.208 32.759 ( -11.274 -3.701 3.988) 12.518 32.759 ( -11.274 3.701 3.988) 12.518 33.672 ( 5.674 -4.057 2.397) 7.375 33.672 ( 5.674 4.057 2.397) 7.375 33.994 ( 5.932 -7.320 -2.022) 9.636 33.994 ( 5.932 7.320 -2.022) 9.636 ======================= Grid point 130 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -2.128 -3.625 0.584) 4.244 1.368 ( -2.128 3.625 0.584) 4.244 1.552 ( -5.562 -7.181 5.707) 10.728 1.552 ( -5.562 7.181 5.707) 10.728 1.901 ( -1.740 -2.644 3.015) 4.372 1.901 ( -1.740 2.644 3.015) 4.372 1.939 ( -2.909 -4.113 1.955) 5.403 1.939 ( -2.909 4.113 1.955) 5.403 2.297 ( -3.373 -5.671 -7.015) 9.631 2.297 ( -3.373 5.671 -7.015) 9.631 2.383 ( -11.595 -6.347 0.049) 13.219 2.383 ( -11.595 6.347 0.049) 13.219 2.612 ( -4.427 -8.773 2.375) 10.110 2.612 ( -4.427 8.773 2.375) 10.110 2.807 ( 1.610 -6.633 3.533) 7.686 2.807 ( 1.610 6.633 3.533) 7.686 2.925 ( -3.501 -6.727 -1.028) 7.652 2.925 ( -3.501 6.727 -1.028) 7.652 3.105 ( -4.924 -14.147 2.242) 15.146 3.105 ( -4.924 14.147 2.242) 15.146 3.371 ( -7.220 -6.487 -0.938) 9.751 3.371 ( -7.220 6.487 -0.938) 9.751 3.606 ( -0.507 -6.227 -11.932) 13.469 3.606 ( -0.507 6.227 -11.932) 13.469 3.794 ( -1.819 -1.946 -1.970) 3.313 3.794 ( -1.819 1.946 -1.970) 3.313 3.985 ( 0.095 -2.822 3.736) 4.683 3.985 ( 0.095 2.822 3.736) 4.683 4.180 ( 1.075 -9.445 0.122) 9.506 4.180 ( 1.075 9.445 0.122) 9.506 4.314 ( 0.037 -4.393 0.278) 4.402 4.314 ( 0.037 4.393 0.278) 4.402 4.417 ( -1.440 -2.426 0.296) 2.836 4.417 ( -1.440 2.426 0.296) 2.836 4.540 ( -4.591 -13.985 2.592) 14.945 4.540 ( -4.591 13.985 2.592) 14.945 4.907 ( 1.110 -4.032 1.203) 4.352 4.907 ( 1.110 4.032 1.203) 4.352 5.104 ( 0.496 -6.045 -0.438) 6.081 5.104 ( 0.496 6.045 -0.438) 6.081 5.301 ( 3.256 -1.792 -1.899) 4.174 5.301 ( 3.256 1.792 -1.899) 4.174 5.625 ( -0.092 -6.857 -0.352) 6.866 5.625 ( -0.092 6.857 -0.352) 6.866 5.725 ( -1.056 -2.310 5.159) 5.750 5.725 ( -1.056 2.310 5.159) 5.750 6.205 ( 3.861 -4.245 -7.280) 9.270 6.205 ( 3.861 4.245 -7.280) 9.270 6.711 ( 1.528 -2.039 3.285) 4.157 6.711 ( 1.528 2.039 3.285) 4.157 6.993 ( -3.825 -3.758 0.321) 5.372 6.993 ( -3.825 3.758 0.321) 5.372 7.274 ( -3.460 -2.269 1.677) 4.465 7.274 ( -3.460 2.269 1.677) 4.465 7.749 ( 2.666 -1.697 -2.681) 4.145 7.749 ( 2.666 1.697 -2.681) 4.145 8.022 ( 0.162 -7.315 0.942) 7.377 8.022 ( 0.162 7.315 0.942) 7.377 8.201 ( 0.418 -2.978 -0.808) 3.114 8.201 ( 0.418 2.979 -0.808) 3.114 9.541 ( -2.329 -2.538 -0.297) 3.458 9.541 ( -2.329 2.538 -0.297) 3.458 9.801 ( 0.437 -7.340 1.482) 7.501 9.801 ( 0.437 7.340 1.482) 7.501 9.913 ( 2.541 -1.472 0.132) 2.939 9.913 ( 2.541 1.472 0.132) 2.939 10.105 ( -1.348 -6.236 -0.319) 6.388 10.105 ( -1.348 6.236 -0.319) 6.388 10.266 ( 0.565 -7.953 1.261) 8.072 10.266 ( 0.565 7.953 1.261) 8.072 10.490 ( 0.696 -4.317 -0.944) 4.473 10.490 ( 0.696 4.317 -0.944) 4.473 12.503 ( -0.688 -2.886 -0.214) 2.975 12.503 ( -0.688 2.886 -0.214) 2.975 12.560 ( -1.177 -3.060 -0.004) 3.278 12.560 ( -1.177 3.060 -0.004) 3.278 13.964 ( 0.801 -3.115 -0.289) 3.230 13.964 ( 0.801 3.115 -0.289) 3.230 14.104 ( 3.157 -1.695 0.272) 3.594 14.104 ( 3.157 1.695 0.272) 3.594 14.671 ( -0.754 -4.355 -0.224) 4.426 14.671 ( -0.754 4.355 -0.224) 4.426 15.101 ( 0.852 -1.789 0.114) 1.985 15.101 ( 0.852 1.789 0.114) 1.985 15.498 ( 1.318 -0.745 -0.239) 1.532 15.498 ( 1.318 0.745 -0.239) 1.532 15.756 ( 0.072 -3.603 0.616) 3.656 15.756 ( 0.072 3.603 0.616) 3.656 15.805 ( 2.058 -6.245 -1.331) 6.708 15.805 ( 2.058 6.245 -1.331) 6.708 16.064 ( -0.204 -3.400 -0.384) 3.427 16.064 ( -0.204 3.400 -0.384) 3.427 16.461 ( -1.613 -2.502 -0.553) 3.028 16.461 ( -1.613 2.502 -0.553) 3.028 16.616 ( -0.845 -1.962 -0.810) 2.285 16.616 ( -0.845 1.962 -0.810) 2.285 17.516 ( 1.429 -3.261 -0.229) 3.568 17.516 ( 1.429 3.261 -0.229) 3.568 17.674 ( 1.867 -1.305 0.648) 2.368 17.674 ( 1.867 1.305 0.648) 2.368 21.514 ( -0.264 -0.208 1.581) 1.617 21.514 ( -0.264 0.208 1.581) 1.617 21.879 ( 3.668 -0.822 -0.242) 3.767 21.879 ( 3.668 0.822 -0.242) 3.767 27.351 ( 1.971 -0.180 2.196) 2.956 27.351 ( 1.971 0.180 2.196) 2.956 27.994 ( 8.894 -2.950 -3.171) 9.893 27.994 ( 8.894 2.950 -3.171) 9.893 28.686 ( -0.588 -0.074 -0.319) 0.673 28.686 ( -0.588 0.074 -0.319) 0.673 29.090 ( 4.144 -2.761 -0.747) 5.036 29.090 ( 4.144 2.761 -0.747) 5.036 29.871 ( 3.022 -1.487 2.136) 3.988 29.871 ( 3.022 1.487 2.136) 3.988 30.353 ( 4.964 -0.673 0.639) 5.050 30.353 ( 4.964 0.673 0.639) 5.050 30.538 ( -4.861 -0.996 1.048) 5.071 30.538 ( -4.861 0.996 1.048) 5.071 30.910 ( -6.697 -2.822 -1.550) 7.431 30.910 ( -6.697 2.822 -1.550) 7.431 31.541 ( -2.535 -1.511 -0.147) 2.955 31.541 ( -2.535 1.511 -0.147) 2.955 31.934 ( -3.478 -6.254 0.813) 7.202 31.934 ( -3.478 6.254 0.813) 7.202 32.170 ( -6.533 -3.754 -1.996) 7.795 32.170 ( -6.533 3.754 -1.996) 7.795 32.596 ( -8.010 -3.702 1.018) 8.883 32.596 ( -8.010 3.702 1.018) 8.883 33.783 ( 3.646 -3.837 2.863) 6.018 33.783 ( 3.646 3.837 2.863) 6.018 34.077 ( 4.704 -6.111 -3.146) 8.329 34.077 ( 4.704 6.111 -3.146) 8.329 ======================= Grid point 154 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.511 0.000 -20.155) 20.161 0.997 ( -0.511 0.000 20.155) 20.161 1.148 ( -2.081 0.000 -24.139) 24.229 1.148 ( 2.081 0.000 24.139) 24.229 1.731 ( 2.667 0.000 -33.757) 33.862 1.731 ( -2.667 0.000 33.757) 33.862 1.828 ( -0.812 0.000 -6.703) 6.752 1.828 ( 0.812 0.000 6.703) 6.752 2.108 ( -0.742 0.000 -4.497) 4.558 2.108 ( 0.742 0.000 4.497) 4.558 2.452 ( 3.331 0.000 -7.048) 7.795 2.452 ( -3.331 0.000 7.048) 7.795 2.552 ( -1.843 0.000 -4.059) 4.458 2.552 ( 1.843 0.000 4.059) 4.458 2.809 ( -0.035 0.000 -9.108) 9.108 2.809 ( 0.035 0.000 9.108) 9.108 2.896 ( -3.299 0.000 -4.127) 5.284 2.896 ( 3.299 0.000 4.127) 5.284 3.196 ( 6.000 0.000 -2.646) 6.557 3.196 ( -6.000 0.000 2.646) 6.557 3.335 ( -1.387 0.000 -6.195) 6.349 3.335 ( 1.387 0.000 6.195) 6.349 3.652 ( 3.181 0.000 -6.526) 7.260 3.652 ( -3.181 0.000 6.526) 7.260 3.817 ( -3.006 0.000 -1.726) 3.466 3.817 ( 3.006 0.000 1.726) 3.466 4.010 ( 0.384 0.000 -3.986) 4.004 4.010 ( -0.384 0.000 3.986) 4.004 4.108 ( 8.829 0.000 -4.661) 9.984 4.108 ( -8.829 0.000 4.661) 9.984 4.250 ( -3.813 0.000 -3.459) 5.149 4.250 ( 3.813 0.000 3.459) 5.149 4.399 ( -6.628 0.000 -2.168) 6.974 4.399 ( 6.628 0.000 2.168) 6.974 4.631 ( 11.127 0.000 -8.489) 13.995 4.631 ( -11.127 0.000 8.489) 13.995 4.988 ( 4.495 0.000 -7.688) 8.906 4.988 ( -4.495 0.000 7.688) 8.906 5.084 ( 10.725 0.000 -3.893) 11.410 5.084 ( -10.725 0.000 3.893) 11.410 5.289 ( 4.495 0.000 -2.008) 4.923 5.289 ( -4.495 0.000 2.008) 4.923 5.450 ( 2.823 0.000 -2.691) 3.900 5.450 ( -2.823 0.000 2.691) 3.900 5.795 ( 0.471 0.000 -8.790) 8.802 5.795 ( -0.471 0.000 8.790) 8.802 6.207 ( -3.535 0.000 -14.110) 14.546 6.207 ( 3.535 0.000 14.110) 14.546 6.816 ( 1.799 0.000 -5.621) 5.902 6.816 ( -1.799 0.000 5.621) 5.902 6.968 ( -1.522 0.000 -1.229) 1.956 6.968 ( 1.522 0.000 1.229) 1.956 7.171 ( -3.721 0.000 -10.955) 11.569 7.171 ( 3.721 0.000 10.955) 11.569 7.711 ( -5.250 0.000 -4.517) 6.926 7.711 ( 5.250 0.000 4.517) 6.926 7.969 ( -0.007 0.000 -0.546) 0.546 7.969 ( 0.007 0.000 0.546) 0.546 8.249 ( -1.924 0.000 -2.240) 2.953 8.249 ( 1.924 0.000 2.240) 2.953 9.478 ( 2.196 0.000 -4.912) 5.381 9.478 ( -2.196 0.000 4.912) 5.381 9.688 ( -3.319 0.000 -5.360) 6.304 9.688 ( 3.319 0.000 5.360) 6.304 10.011 ( -0.507 0.000 -2.587) 2.636 10.011 ( 0.507 0.000 2.587) 2.636 10.127 ( -3.312 0.000 -0.398) 3.335 10.127 ( 3.312 0.000 0.398) 3.335 10.291 ( -3.238 0.000 0.147) 3.241 10.291 ( 3.238 0.000 -0.147) 3.241 10.825 ( 0.781 0.000 -2.953) 3.054 10.825 ( -0.781 0.000 2.953) 3.054 12.265 ( 1.179 0.000 -0.527) 1.291 12.265 ( -1.179 0.000 0.527) 1.291 12.667 ( -0.927 0.000 -0.947) 1.325 12.667 ( 0.927 0.000 0.947) 1.325 14.014 ( 1.955 0.000 -2.256) 2.985 14.014 ( -1.955 0.000 2.256) 2.985 14.177 ( 2.785 0.000 -1.042) 2.973 14.177 ( -2.785 0.000 1.042) 2.973 14.974 ( -2.319 0.000 -1.335) 2.676 14.974 ( 2.319 0.000 1.335) 2.676 15.181 ( 2.560 0.000 -3.736) 4.529 15.181 ( -2.560 0.000 3.736) 4.529 15.327 ( -0.977 0.000 -2.067) 2.287 15.327 ( 0.977 0.000 2.067) 2.287 15.582 ( -2.991 0.000 -0.861) 3.112 15.582 ( 2.991 0.000 0.861) 3.112 15.783 ( -2.527 0.000 -3.697) 4.478 15.783 ( 2.527 0.000 3.697) 4.478 16.202 ( -8.543 0.000 2.569) 8.921 16.202 ( 8.543 0.000 -2.569) 8.921 16.441 ( -5.495 0.000 -0.372) 5.508 16.441 ( 5.495 0.000 0.372) 5.508 16.626 ( -2.415 0.000 0.635) 2.497 16.626 ( 2.415 0.000 -0.635) 2.497 17.433 ( 1.837 0.000 -2.915) 3.446 17.433 ( -1.837 0.000 2.915) 3.446 17.738 ( -0.387 0.000 -0.094) 0.398 17.738 ( 0.387 0.000 0.094) 0.398 21.471 ( 2.072 0.000 -2.341) 3.127 21.471 ( -2.072 0.000 2.341) 3.127 21.841 ( -1.417 0.000 -0.288) 1.446 21.841 ( 1.417 0.000 0.288) 1.446 27.463 ( -1.090 0.000 -4.815) 4.937 27.463 ( 1.090 0.000 4.815) 4.937 27.819 ( -0.575 0.000 -0.126) 0.589 27.819 ( 0.575 0.000 0.126) 0.589 28.731 ( -0.023 0.000 -1.391) 1.391 28.731 ( 0.023 0.000 1.391) 1.391 29.050 ( 1.516 0.000 -3.189) 3.531 29.050 ( -1.516 0.000 3.189) 3.531 29.963 ( 1.049 0.000 -3.939) 4.077 29.963 ( -1.049 0.000 3.939) 4.077 30.324 ( 0.776 0.000 -2.236) 2.367 30.324 ( -0.776 0.000 2.236) 2.367 30.423 ( -0.368 0.000 -0.287) 0.467 30.423 ( 0.368 0.000 0.287) 0.467 31.089 ( -18.202 0.000 0.879) 18.223 31.089 ( 18.202 0.000 -0.879) 18.223 31.445 ( 0.406 0.000 -1.020) 1.098 31.445 ( -0.406 0.000 1.020) 1.098 31.683 ( 1.447 0.000 -5.058) 5.261 31.683 ( -1.447 0.000 5.058) 5.261 32.280 ( -5.462 0.000 -6.705) 8.648 32.280 ( 5.462 0.000 6.705) 8.648 32.954 ( -0.977 0.000 -0.038) 0.977 32.954 ( 0.977 0.000 0.038) 0.977 33.510 ( -10.709 0.000 -1.538) 10.818 33.510 ( 10.709 0.000 1.538) 10.818 33.952 ( -4.813 0.000 -1.846) 5.155 33.952 ( 4.813 0.000 1.846) 5.155 ======================= Grid point 156 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 11.197 0.000 -20.380) 23.253 0.935 ( 4.211 0.000 -22.764) 23.150 1.309 ( 8.648 0.000 16.483) 18.614 1.537 ( 11.007 0.000 24.211) 26.596 1.671 ( 14.559 0.000 -22.950) 27.179 1.866 ( 16.568 0.000 -14.015) 21.701 1.886 ( 5.707 0.000 2.743) 6.332 2.074 ( 11.279 0.000 21.907) 24.640 2.094 ( 5.166 0.000 -7.079) 8.763 2.161 ( 2.921 0.000 -0.778) 3.022 2.446 ( 5.026 0.000 -14.446) 15.296 2.478 ( 0.984 0.000 6.167) 6.245 2.544 ( 2.800 0.000 -4.487) 5.289 2.653 ( 4.381 0.000 5.257) 6.843 2.759 ( 2.222 0.000 -5.634) 6.057 2.845 ( 2.779 0.000 -6.165) 6.762 2.893 ( 0.953 0.000 10.094) 10.138 3.010 ( 6.198 0.000 1.669) 6.419 3.084 ( -4.978 0.000 6.890) 8.500 3.273 ( 3.322 0.000 4.608) 5.681 3.367 ( 8.216 0.000 -3.829) 9.064 3.394 ( 2.609 0.000 -0.998) 2.794 3.624 ( -0.189 0.000 -9.567) 9.569 3.632 ( -3.669 0.000 6.369) 7.350 3.709 ( -6.643 0.000 -1.681) 6.853 3.850 ( 1.492 0.000 -1.135) 1.874 3.983 ( -8.293 0.000 4.567) 9.468 4.051 ( 3.461 0.000 1.645) 3.832 4.058 ( 0.130 0.000 5.144) 5.146 4.137 ( -4.870 0.000 -4.388) 6.555 4.215 ( 6.584 0.000 -5.788) 8.766 4.314 ( -2.137 0.000 2.719) 3.458 4.327 ( 0.534 0.000 -0.253) 0.591 4.412 ( -6.689 0.000 -1.605) 6.879 4.585 ( 4.994 0.000 0.090) 4.995 4.713 ( 5.020 0.000 -9.515) 10.758 4.891 ( -8.020 0.000 3.563) 8.776 4.931 ( -2.307 0.000 3.090) 3.856 5.006 ( 1.391 0.000 -4.216) 4.439 5.141 ( -1.413 0.000 4.995) 5.191 5.331 ( -1.566 0.000 -0.287) 1.592 5.397 ( 1.770 0.000 3.260) 3.710 5.488 ( 8.747 0.000 -1.581) 8.889 5.494 ( 3.640 0.000 -1.510) 3.940 5.780 ( 4.910 0.000 -7.919) 9.318 5.862 ( -1.184 0.000 8.361) 8.445 6.062 ( -1.034 0.000 -11.613) 11.659 6.358 ( -2.408 0.000 14.338) 14.539 6.813 ( 1.113 0.000 -1.462) 1.838 6.824 ( -2.401 0.000 6.183) 6.633 6.916 ( 1.567 0.000 2.522) 2.969 6.956 ( -3.035 0.000 2.287) 3.800 7.101 ( 3.167 0.000 -8.840) 9.391 7.312 ( 3.287 0.000 2.603) 4.193 7.517 ( -7.183 0.000 -11.180) 13.289 7.806 ( 3.118 0.000 5.176) 6.042 7.994 ( -0.329 0.000 2.906) 2.924 8.009 ( 2.350 0.000 2.733) 3.604 8.177 ( -2.838 0.000 -4.112) 4.997 8.279 ( 0.136 0.000 0.356) 0.381 9.479 ( -2.125 0.000 5.565) 5.957 9.483 ( 1.331 0.000 -2.216) 2.585 9.605 ( -0.346 0.000 -6.117) 6.127 9.786 ( 3.715 0.000 1.901) 4.173 9.954 ( -0.905 0.000 -7.693) 7.746 10.020 ( -0.168 0.000 0.297) 0.342 10.078 ( -3.758 0.000 3.612) 5.212 10.191 ( 2.057 0.000 0.962) 2.270 10.258 ( -0.512 0.000 0.673) 0.846 10.350 ( 2.276 0.000 0.685) 2.377 10.822 ( 1.059 0.000 -2.334) 2.563 10.837 ( -0.807 0.000 3.542) 3.633 12.279 ( 2.321 0.000 0.702) 2.425 12.305 ( 3.541 0.000 -0.839) 3.639 12.645 ( -0.604 0.000 -0.397) 0.722 12.682 ( 0.031 0.000 0.201) 0.203 13.965 ( -4.244 0.000 1.452) 4.486 13.995 ( -1.882 0.000 -2.335) 2.999 14.137 ( -2.431 0.000 1.733) 2.986 14.217 ( 2.410 0.000 -0.868) 2.561 14.902 ( -4.023 0.000 -1.504) 4.295 14.995 ( -1.927 0.000 0.987) 2.165 15.095 ( -6.282 0.000 -0.235) 6.287 15.123 ( -5.211 0.000 -0.205) 5.215 15.324 ( 1.890 0.000 -1.841) 2.638 15.356 ( -0.544 0.000 3.355) 3.399 15.490 ( -4.206 0.000 -5.670) 7.059 15.651 ( 4.483 0.000 0.001) 4.483 15.751 ( 1.723 0.000 -2.684) 3.189 15.850 ( 1.417 0.000 0.327) 1.454 16.055 ( -8.373 0.000 10.025) 13.062 16.097 ( -8.277 0.000 -4.651) 9.494 16.555 ( 0.807 0.000 -3.131) 3.233 16.599 ( 9.675 0.000 6.048) 11.410 16.613 ( 4.036 0.000 0.719) 4.099 16.655 ( 2.432 0.000 -0.373) 2.460 17.426 ( -1.362 0.000 2.809) 3.122 17.439 ( 0.621 0.000 -2.559) 2.633 17.718 ( -1.977 0.000 0.323) 2.003 17.734 ( -1.596 0.000 1.278) 2.044 21.429 ( -2.944 0.000 -0.698) 3.026 21.480 ( 1.298 0.000 -2.427) 2.753 21.786 ( -3.923 0.000 0.224) 3.929 21.837 ( -1.417 0.000 -0.019) 1.417 27.383 ( -3.489 0.000 -4.195) 5.456 27.486 ( -2.252 0.000 3.628) 4.271 27.670 ( -12.562 0.000 -5.678) 13.786 27.755 ( -6.747 0.000 2.290) 7.125 28.726 ( 0.461 0.000 -1.024) 1.123 28.747 ( 0.442 0.000 1.358) 1.428 28.976 ( -6.154 0.000 -1.259) 6.281 29.005 ( -3.171 0.000 -1.543) 3.527 29.890 ( -5.029 0.000 -1.732) 5.319 29.896 ( -3.450 0.000 -1.969) 3.973 30.301 ( -2.363 0.000 -1.167) 2.635 30.308 ( -3.313 0.000 0.595) 3.366 30.420 ( 0.323 0.000 1.782) 1.811 30.454 ( 5.160 0.000 -0.581) 5.193 31.027 ( 5.239 0.000 6.913) 8.674 31.355 ( -0.432 0.000 -4.358) 4.380 31.461 ( 2.026 0.000 -0.909) 2.220 31.472 ( 3.605 0.000 2.176) 4.211 31.654 ( -0.521 0.000 -4.956) 4.984 31.866 ( 17.515 0.000 13.022) 21.825 32.168 ( -0.303 0.000 -6.632) 6.639 32.417 ( 4.827 0.000 2.452) 5.414 32.964 ( 2.258 0.000 1.116) 2.518 32.987 ( 2.587 0.000 0.283) 2.602 33.351 ( -3.953 0.000 -2.382) 4.615 33.702 ( 11.095 0.000 -6.464) 12.841 33.868 ( -4.267 0.000 -0.176) 4.270 34.099 ( 6.538 0.000 8.265) 10.538 ======================= Grid point 157 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 18.540 0.000 -5.416) 19.315 1.081 ( 18.388 0.000 -11.759) 21.826 1.609 ( 11.190 0.000 12.709) 16.933 1.774 ( 7.856 0.000 -0.325) 7.862 1.813 ( 3.943 0.000 14.990) 15.500 1.928 ( -3.370 0.000 2.928) 4.464 2.102 ( 11.522 0.000 -15.024) 18.933 2.201 ( 3.244 0.000 -2.164) 3.900 2.293 ( 20.567 0.000 -6.980) 21.719 2.450 ( 9.617 0.000 1.873) 9.797 2.460 ( 11.049 0.000 -14.151) 17.953 2.562 ( 3.793 0.000 9.392) 10.129 2.578 ( 7.268 0.000 -6.328) 9.637 2.818 ( 9.175 0.000 6.224) 11.086 2.829 ( 7.865 0.000 -3.706) 8.694 2.908 ( 6.994 0.000 -4.580) 8.361 2.976 ( -1.017 0.000 9.599) 9.653 3.122 ( 1.500 0.000 7.738) 7.882 3.145 ( 6.742 0.000 1.238) 6.855 3.347 ( 2.528 0.000 6.303) 6.791 3.476 ( -4.755 0.000 -8.220) 9.496 3.530 ( 12.321 0.000 -2.612) 12.595 3.549 ( 9.071 0.000 -1.172) 9.146 3.575 ( -5.467 0.000 -1.649) 5.710 3.637 ( -0.283 0.000 5.511) 5.519 3.877 ( 3.457 0.000 -3.365) 4.824 3.883 ( -6.444 0.000 2.957) 7.090 3.956 ( -9.498 0.000 -2.624) 9.854 4.073 ( -1.652 0.000 2.859) 3.302 4.137 ( -0.397 0.000 5.184) 5.199 4.166 ( -4.970 0.000 -3.484) 6.070 4.289 ( 6.903 0.000 -4.753) 8.381 4.384 ( 4.765 0.000 -1.263) 4.929 4.428 ( 2.667 0.000 1.589) 3.105 4.611 ( -1.437 0.000 0.369) 1.483 4.657 ( -4.192 0.000 -3.572) 5.508 4.843 ( 2.295 0.000 -2.165) 3.155 4.984 ( 0.811 0.000 7.575) 7.618 5.041 ( 6.250 0.000 -4.564) 7.739 5.161 ( -2.887 0.000 7.728) 8.250 5.250 ( -3.312 0.000 -2.046) 3.893 5.383 ( -3.928 0.000 -0.516) 3.962 5.524 ( 0.255 0.000 -0.508) 0.568 5.611 ( 6.874 0.000 -5.713) 8.938 5.812 ( 3.741 0.000 -7.319) 8.220 5.855 ( -5.123 0.000 8.660) 10.062 6.021 ( 5.199 0.000 -9.004) 10.397 6.352 ( -3.946 0.000 6.896) 7.945 6.811 ( -3.395 0.000 3.491) 4.870 6.830 ( 2.049 0.000 -0.356) 2.079 6.921 ( -1.992 0.000 2.081) 2.881 7.042 ( 4.277 0.000 -4.506) 6.213 7.145 ( 1.858 0.000 13.433) 13.561 7.329 ( -0.526 0.000 -1.825) 1.899 7.351 ( -0.000 0.000 -11.933) 11.933 7.876 ( -0.512 0.000 -1.608) 1.688 7.994 ( -2.838 0.000 9.837) 10.238 8.054 ( -0.496 0.000 2.627) 2.674 8.120 ( -0.079 0.000 -2.224) 2.226 8.259 ( -2.048 0.000 -0.531) 2.116 9.483 ( -1.770 0.000 4.681) 5.004 9.502 ( 1.189 0.000 2.173) 2.477 9.588 ( 3.039 0.000 -5.548) 6.326 9.835 ( 2.293 0.000 -3.795) 4.434 9.881 ( -0.508 0.000 -6.860) 6.879 10.021 ( -0.717 0.000 2.093) 2.212 10.035 ( -4.195 0.000 4.162) 5.910 10.200 ( -0.033 0.000 -2.256) 2.257 10.270 ( 0.982 0.000 -0.066) 0.984 10.384 ( 0.729 0.000 0.895) 1.154 10.825 ( 1.062 0.000 -2.105) 2.358 10.847 ( -0.854 0.000 3.060) 3.176 12.347 ( 3.437 0.000 1.692) 3.831 12.377 ( 4.738 0.000 -0.456) 4.760 12.644 ( 0.173 0.000 1.107) 1.120 12.669 ( -1.126 0.000 -0.850) 1.411 13.912 ( -2.480 0.000 1.761) 3.042 13.930 ( -2.757 0.000 -2.046) 3.433 14.116 ( -1.710 0.000 2.614) 3.124 14.250 ( 1.908 0.000 -1.408) 2.371 14.822 ( -3.190 0.000 -0.868) 3.306 14.890 ( -5.344 0.000 -4.179) 6.784 15.030 ( -1.303 0.000 -1.629) 2.086 15.034 ( -4.719 0.000 1.253) 4.883 15.349 ( 2.207 0.000 -1.740) 2.810 15.365 ( -1.769 0.000 3.416) 3.847 15.391 ( -0.855 0.000 -4.745) 4.821 15.725 ( 2.297 0.000 -0.898) 2.466 15.776 ( 2.272 0.000 -1.459) 2.700 15.834 ( -1.269 0.000 0.517) 1.370 15.977 ( -1.873 0.000 -2.542) 3.158 16.046 ( -2.432 0.000 8.296) 8.645 16.527 ( -0.290 0.000 -0.635) 0.698 16.630 ( -0.625 0.000 -2.003) 2.098 16.681 ( 2.528 0.000 -1.448) 2.913 16.800 ( 4.039 0.000 5.139) 6.536 17.414 ( -0.720 0.000 -2.662) 2.758 17.424 ( -0.874 0.000 1.906) 2.097 17.673 ( -2.974 0.000 0.230) 2.983 17.696 ( -3.343 0.000 0.940) 3.472 21.389 ( 0.343 0.000 -1.599) 1.636 21.488 ( 1.528 0.000 -2.246) 2.716 21.716 ( -4.045 0.000 1.125) 4.199 21.803 ( -2.398 0.000 0.280) 2.415 27.285 ( -4.045 0.000 -2.145) 4.578 27.395 ( -8.700 0.000 -7.928) 11.771 27.441 ( -4.515 0.000 1.669) 4.813 27.639 ( -7.718 0.000 2.556) 8.130 28.732 ( 0.794 0.000 -0.532) 0.956 28.764 ( 0.375 0.000 0.868) 0.946 28.868 ( -3.103 0.000 -2.982) 4.303 28.936 ( -3.457 0.000 0.007) 3.457 29.826 ( -0.316 0.000 -2.059) 2.083 29.844 ( -1.204 0.000 -0.331) 1.248 30.217 ( -5.789 0.000 -0.411) 5.804 30.231 ( -4.416 0.000 0.086) 4.417 30.493 ( 4.987 0.000 2.816) 5.727 30.572 ( 7.809 0.000 -1.717) 7.995 31.251 ( 9.684 0.000 9.706) 13.711 31.275 ( 0.642 0.000 -7.675) 7.702 31.482 ( 0.347 0.000 -1.198) 1.248 31.559 ( 4.704 0.000 1.278) 4.874 31.620 ( 1.197 0.000 -2.542) 2.810 32.070 ( -0.894 0.000 -5.225) 5.301 32.252 ( 8.054 0.000 6.394) 10.284 32.486 ( 1.925 0.000 -0.628) 2.025 33.042 ( 4.556 0.000 0.084) 4.557 33.056 ( 4.580 0.000 0.060) 4.580 33.322 ( -2.054 0.000 8.037) 8.295 33.772 ( -4.305 0.000 -2.370) 4.914 33.827 ( 8.158 0.000 -7.520) 11.095 34.255 ( 1.238 0.000 9.994) 10.071 ======================= Grid point 158 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 16.140 0.000 -4.484) 16.751 1.408 ( 19.360 0.000 5.193) 20.044 1.831 ( -1.733 0.000 -3.420) 3.834 1.887 ( 9.108 0.000 7.224) 11.625 1.935 ( 7.564 0.000 5.651) 9.442 2.000 ( 4.333 0.000 6.019) 7.417 2.162 ( 5.524 0.000 -5.833) 8.034 2.239 ( 0.978 0.000 4.173) 4.286 2.470 ( 11.157 0.000 -9.406) 14.593 2.506 ( 1.754 0.000 0.701) 1.889 2.581 ( 5.145 0.000 -8.705) 10.111 2.701 ( 2.416 0.000 4.526) 5.130 2.729 ( 10.939 0.000 -5.053) 12.049 2.874 ( -0.177 0.000 -4.632) 4.636 2.954 ( -6.425 0.000 12.578) 14.124 3.016 ( 3.261 0.000 4.667) 5.694 3.024 ( 5.856 0.000 0.720) 5.900 3.157 ( -5.160 0.000 -0.355) 5.172 3.278 ( 6.377 0.000 -7.418) 9.782 3.350 ( 5.588 0.000 1.462) 5.776 3.439 ( -6.272 0.000 -1.345) 6.414 3.514 ( 5.581 0.000 -0.827) 5.642 3.660 ( -5.630 0.000 3.724) 6.750 3.737 ( 2.532 0.000 2.988) 3.917 3.753 ( 1.531 0.000 -2.471) 2.906 3.768 ( 2.526 0.000 3.463) 4.286 3.772 ( 2.076 0.000 -3.390) 3.975 3.954 ( 8.049 0.000 -2.905) 8.557 4.059 ( -0.816 0.000 2.982) 3.092 4.133 ( -1.819 0.000 3.966) 4.363 4.185 ( 6.120 0.000 0.405) 6.133 4.386 ( 5.277 0.000 -1.871) 5.599 4.448 ( 3.684 0.000 -2.721) 4.580 4.478 ( 0.194 0.000 2.998) 3.004 4.576 ( -2.505 0.000 1.996) 3.203 4.577 ( -0.027 0.000 -5.482) 5.482 4.909 ( 6.098 0.000 -3.326) 6.946 5.033 ( -1.221 0.000 6.419) 6.534 5.109 ( -4.796 0.000 4.772) 6.766 5.149 ( 8.348 0.000 -5.613) 10.060 5.257 ( 2.585 0.000 0.617) 2.657 5.283 ( -2.804 0.000 -3.214) 4.265 5.513 ( -1.751 0.000 1.805) 2.515 5.675 ( 4.807 0.000 -4.891) 6.858 5.834 ( 5.438 0.000 -6.591) 8.544 5.863 ( -1.244 0.000 8.590) 8.679 6.046 ( 2.827 0.000 -7.524) 8.037 6.332 ( -4.972 0.000 7.193) 8.744 6.767 ( -2.597 0.000 1.787) 3.153 6.893 ( 5.322 0.000 -1.571) 5.550 6.918 ( -0.150 0.000 1.693) 1.700 7.033 ( 0.053 0.000 -3.527) 3.527 7.179 ( -4.749 0.000 2.146) 5.212 7.298 ( -0.954 0.000 -1.803) 2.040 7.394 ( 6.632 0.000 1.567) 6.814 7.783 ( -4.588 0.000 -4.139) 6.178 8.015 ( -4.192 0.000 -0.795) 4.267 8.021 ( -2.864 0.000 6.509) 7.111 8.126 ( 0.388 0.000 1.399) 1.452 8.215 ( -1.993 0.000 0.127) 1.997 9.489 ( -0.689 0.000 3.204) 3.277 9.567 ( 3.309 0.000 3.022) 4.482 9.614 ( 2.472 0.000 -1.652) 2.973 9.825 ( 1.269 0.000 -6.383) 6.508 9.842 ( 0.506 0.000 -2.562) 2.611 9.995 ( -3.058 0.000 4.059) 5.082 10.018 ( -1.563 0.000 2.099) 2.617 10.180 ( -0.052 0.000 -2.141) 2.142 10.282 ( 0.747 0.000 -1.087) 1.320 10.378 ( -1.379 0.000 -1.298) 1.894 10.828 ( 1.006 0.000 -2.009) 2.247 10.853 ( -0.687 0.000 2.198) 2.303 12.416 ( 2.732 0.000 1.258) 3.008 12.466 ( 4.886 0.000 0.039) 4.886 12.632 ( -1.807 0.000 -1.576) 2.398 12.660 ( -0.059 0.000 1.885) 1.886 13.877 ( -1.142 0.000 -1.804) 2.135 13.894 ( -1.453 0.000 2.266) 2.692 14.114 ( -1.121 0.000 3.656) 3.824 14.256 ( 0.737 0.000 -3.751) 3.823 14.782 ( -0.707 0.000 -0.050) 0.709 14.798 ( -1.100 0.000 -3.792) 3.949 14.965 ( -3.850 0.000 1.119) 4.009 14.988 ( -2.067 0.000 -1.188) 2.384 15.334 ( -1.254 0.000 0.165) 1.264 15.377 ( 2.125 0.000 -1.738) 2.745 15.400 ( 1.167 0.000 1.715) 2.075 15.681 ( -4.621 0.000 -1.060) 4.741 15.809 ( 2.007 0.000 -0.204) 2.017 15.863 ( 2.553 0.000 0.154) 2.558 15.962 ( 0.915 0.000 -0.636) 1.114 16.047 ( -2.231 0.000 3.115) 3.832 16.552 ( 2.205 0.000 1.617) 2.734 16.598 ( -0.600 0.000 -2.591) 2.660 16.693 ( 0.111 0.000 -0.519) 0.531 16.860 ( 0.380 0.000 0.957) 1.030 17.387 ( -0.373 0.000 -1.152) 1.211 17.421 ( -0.656 0.000 0.899) 1.113 17.618 ( -2.989 0.000 0.051) 2.989 17.635 ( -3.398 0.000 -0.051) 3.398 21.416 ( 2.847 0.000 -0.033) 2.847 21.503 ( 2.038 0.000 -2.095) 2.922 21.658 ( -3.501 0.000 1.723) 3.902 21.749 ( -3.685 0.000 0.026) 3.685 27.214 ( -2.743 0.000 0.479) 2.784 27.252 ( -3.094 0.000 -2.585) 4.031 27.358 ( -4.774 0.000 -0.207) 4.779 27.512 ( -7.287 0.000 0.551) 7.308 28.745 ( 0.885 0.000 -0.186) 0.904 28.771 ( -0.111 0.000 0.179) 0.210 28.812 ( -1.265 0.000 -1.571) 2.017 28.882 ( -2.645 0.000 0.511) 2.694 29.830 ( 1.646 0.000 -1.084) 1.971 29.841 ( 0.815 0.000 0.314) 0.873 30.108 ( -5.482 0.000 -0.329) 5.492 30.145 ( -5.126 0.000 0.576) 5.159 30.627 ( 6.645 0.000 2.935) 7.264 30.696 ( 7.400 0.000 -3.226) 8.073 31.270 ( 3.231 0.000 -4.796) 5.783 31.375 ( -4.928 0.000 4.836) 6.904 31.550 ( 7.736 0.000 4.111) 8.760 31.666 ( 5.759 0.000 0.876) 5.826 31.674 ( 4.816 0.000 2.010) 5.219 31.966 ( -3.873 0.000 -7.677) 8.598 32.380 ( 3.143 0.000 1.518) 3.490 32.484 ( -0.379 0.000 -3.049) 3.072 33.115 ( 4.403 0.000 -2.148) 4.899 33.141 ( 4.888 0.000 -1.740) 5.188 33.377 ( -1.317 0.000 12.662) 12.730 33.665 ( -4.901 0.000 -1.882) 5.250 33.925 ( 8.653 0.000 -6.933) 11.088 34.291 ( -3.164 0.000 5.491) 6.337 ======================= Grid point 159 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 9.757 0.000 -0.025) 9.757 1.679 ( 5.824 0.000 2.229) 6.236 1.825 ( 3.581 0.000 -1.900) 4.054 1.977 ( -0.839 0.000 1.659) 1.859 2.097 ( 4.592 0.000 -0.204) 4.596 2.174 ( 5.660 0.000 6.326) 8.489 2.268 ( 13.165 0.000 -1.965) 13.311 2.339 ( 5.451 0.000 6.081) 8.167 2.552 ( -0.295 0.000 -2.764) 2.780 2.558 ( 1.994 0.000 1.419) 2.448 2.612 ( 10.279 0.000 -9.786) 14.193 2.721 ( -2.471 0.000 1.616) 2.953 2.729 ( -2.346 0.000 -8.340) 8.664 2.855 ( -0.396 0.000 -1.833) 1.875 2.868 ( -11.570 0.000 11.710) 16.461 3.009 ( -8.555 0.000 -3.162) 9.120 3.148 ( 5.714 0.000 1.276) 5.855 3.158 ( 7.911 0.000 7.838) 11.136 3.243 ( 2.633 0.000 -5.019) 5.667 3.327 ( -3.640 0.000 -0.886) 3.746 3.452 ( -8.674 0.000 -3.613) 9.396 3.526 ( -4.640 0.000 0.794) 4.708 3.592 ( 8.010 0.000 2.720) 8.459 3.624 ( -6.781 0.000 2.873) 7.364 3.690 ( -5.998 0.000 -0.807) 6.052 3.782 ( -4.268 0.000 1.537) 4.537 4.011 ( 12.923 0.000 1.012) 12.963 4.103 ( 5.199 0.000 1.413) 5.387 4.104 ( 2.240 0.000 4.806) 5.303 4.199 ( 7.964 0.000 -8.397) 11.573 4.303 ( 5.727 0.000 -0.457) 5.745 4.408 ( -0.190 0.000 -1.197) 1.212 4.465 ( -4.150 0.000 4.936) 6.448 4.487 ( 0.700 0.000 -1.786) 1.918 4.569 ( 3.876 0.000 -7.231) 8.204 4.572 ( -0.706 0.000 3.496) 3.567 4.964 ( 2.849 0.000 -2.650) 3.891 5.041 ( -3.066 0.000 5.308) 6.130 5.144 ( 2.514 0.000 5.748) 6.274 5.161 ( 2.638 0.000 -8.696) 9.087 5.313 ( 3.462 0.000 0.427) 3.488 5.377 ( 12.182 0.000 -1.980) 12.342 5.486 ( -3.332 0.000 2.904) 4.420 5.707 ( 0.625 0.000 -1.770) 1.877 5.911 ( 6.969 0.000 -5.484) 8.868 5.913 ( -0.549 0.000 6.860) 6.882 6.003 ( 1.290 0.000 -9.119) 9.209 6.253 ( -10.688 0.000 8.943) 13.936 6.771 ( 1.222 0.000 3.010) 3.248 6.928 ( 0.214 0.000 -7.380) 7.383 6.938 ( 1.258 0.000 1.176) 1.722 7.037 ( -1.265 0.000 4.626) 4.796 7.114 ( 1.190 0.000 -2.597) 2.857 7.264 ( -1.850 0.000 -1.291) 2.256 7.522 ( 5.017 0.000 2.695) 5.695 7.682 ( -3.093 0.000 -3.054) 4.346 7.926 ( -3.229 0.000 -1.665) 3.633 7.979 ( -4.986 0.000 2.225) 5.460 8.143 ( 0.343 0.000 1.592) 1.629 8.187 ( -1.282 0.000 -0.024) 1.282 9.512 ( 0.823 0.000 2.641) 2.767 9.601 ( 0.920 0.000 -5.316) 5.395 9.681 ( 1.523 0.000 8.395) 8.533 9.794 ( 0.853 0.000 -6.471) 6.527 9.862 ( 1.627 0.000 2.027) 2.599 9.989 ( -2.648 0.000 0.073) 2.649 10.008 ( 1.285 0.000 4.573) 4.751 10.160 ( -0.668 0.000 -2.462) 2.551 10.281 ( 0.344 0.000 -1.541) 1.579 10.321 ( -2.586 0.000 -2.277) 3.446 10.832 ( 1.083 0.000 -1.819) 2.117 10.852 ( -1.010 0.000 1.443) 1.761 12.471 ( 2.428 0.000 0.947) 2.606 12.546 ( 2.597 0.000 0.393) 2.627 12.588 ( -0.422 0.000 -2.000) 2.044 12.661 ( -1.468 0.000 1.545) 2.132 13.861 ( 0.631 0.000 -1.605) 1.724 13.884 ( -1.523 0.000 1.965) 2.486 14.132 ( -0.479 0.000 4.886) 4.909 14.222 ( -0.171 0.000 -5.917) 5.920 14.782 ( 1.230 0.000 -1.688) 2.088 14.789 ( 0.821 0.000 0.619) 1.028 14.912 ( -2.518 0.000 0.733) 2.623 14.939 ( -2.381 0.000 -0.583) 2.452 15.334 ( 0.505 0.000 1.741) 1.813 15.393 ( 0.975 0.000 -2.182) 2.390 15.443 ( 1.799 0.000 1.949) 2.653 15.579 ( -4.988 0.000 -1.217) 5.134 15.844 ( 1.456 0.000 0.942) 1.734 15.890 ( 0.601 0.000 -1.199) 1.341 15.984 ( 1.408 0.000 0.120) 1.413 16.026 ( -1.207 0.000 0.389) 1.268 16.578 ( 0.497 0.000 -2.009) 2.069 16.596 ( 0.323 0.000 0.966) 1.018 16.708 ( 1.584 0.000 2.612) 3.055 16.842 ( -1.606 0.000 -2.000) 2.565 17.385 ( 0.325 0.000 0.445) 0.551 17.413 ( -0.570 0.000 0.005) 0.570 17.571 ( -1.930 0.000 0.014) 1.930 17.579 ( -2.178 0.000 -0.458) 2.226 21.480 ( 3.701 0.000 0.347) 3.717 21.535 ( 2.993 0.000 -1.467) 3.333 21.608 ( -3.422 0.000 1.484) 3.730 21.672 ( -4.352 0.000 -0.195) 4.356 27.191 ( -0.910 0.000 1.932) 2.136 27.226 ( 0.571 0.000 1.347) 1.463 27.273 ( -3.499 0.000 -1.679) 3.881 27.385 ( -5.852 0.000 -1.592) 6.065 28.756 ( 0.310 0.000 -0.250) 0.398 28.765 ( -0.409 0.000 -0.140) 0.432 28.797 ( 0.400 0.000 -0.228) 0.460 28.844 ( -1.886 0.000 0.339) 1.916 29.861 ( 2.450 0.000 -0.802) 2.578 29.873 ( 1.904 0.000 0.865) 2.091 30.018 ( -3.815 0.000 -0.356) 3.832 30.056 ( -4.861 0.000 0.428) 4.880 30.762 ( 4.992 0.000 2.753) 5.701 30.789 ( 5.322 0.000 -3.366) 6.297 31.287 ( 1.821 0.000 -4.476) 4.832 31.301 ( -5.300 0.000 4.272) 6.807 31.666 ( 3.779 0.000 -0.070) 3.780 31.761 ( 2.224 0.000 -0.244) 2.237 31.816 ( 3.080 0.000 10.240) 10.693 31.857 ( 0.478 0.000 -6.698) 6.715 32.412 ( -0.103 0.000 0.598) 0.606 32.439 ( -0.704 0.000 -4.653) 4.706 33.171 ( 2.397 0.000 0.143) 2.401 33.196 ( 3.090 0.000 -3.569) 4.721 33.450 ( -0.185 0.000 9.316) 9.318 33.575 ( -2.968 0.000 -2.529) 3.899 34.039 ( 8.068 0.000 -3.951) 8.984 34.243 ( -5.049 0.000 2.533) 5.649 ======================= Grid point 160 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -3.011 0.000 -1.105) 3.208 1.696 ( 3.011 0.000 1.105) 3.208 1.914 ( -5.626 0.000 0.027) 5.626 1.914 ( 5.626 0.000 -0.027) 5.626 2.181 ( -3.473 0.000 -1.168) 3.664 2.181 ( 3.473 0.000 1.168) 3.664 2.490 ( -4.483 0.000 -1.408) 4.699 2.490 ( 4.483 0.000 1.408) 4.699 2.532 ( -6.210 0.000 -2.047) 6.539 2.532 ( 6.210 0.000 2.047) 6.539 2.661 ( -2.552 0.000 0.348) 2.575 2.661 ( 2.552 0.000 -0.348) 2.575 2.735 ( 11.159 0.000 -10.692) 15.455 2.735 ( -11.159 0.000 10.692) 15.455 2.857 ( 5.125 0.000 -2.988) 5.932 2.857 ( -5.125 0.000 2.988) 5.932 3.234 ( -0.954 0.000 -3.173) 3.313 3.234 ( 0.954 0.000 3.173) 3.313 3.317 ( -2.726 0.000 -3.190) 4.196 3.317 ( 2.726 0.000 3.190) 4.196 3.402 ( -10.092 0.000 -1.939) 10.276 3.402 ( 10.092 0.000 1.939) 10.276 3.561 ( -0.888 0.000 -3.158) 3.281 3.561 ( 0.888 0.000 3.158) 3.281 3.720 ( -3.732 0.000 -1.303) 3.953 3.720 ( 3.732 0.000 1.303) 3.953 4.150 ( -0.893 0.000 -1.501) 1.747 4.150 ( 0.893 0.000 1.501) 1.747 4.192 ( -0.693 0.000 -7.500) 7.532 4.192 ( 0.693 0.000 7.500) 7.532 4.405 ( -3.452 0.000 0.264) 3.462 4.405 ( 3.452 0.000 -0.264) 3.462 4.437 ( 0.937 0.000 -5.433) 5.513 4.437 ( -0.937 0.000 5.433) 5.513 4.578 ( 2.624 0.000 -5.813) 6.378 4.578 ( -2.624 0.000 5.813) 6.378 5.005 ( 3.319 0.000 -1.914) 3.831 5.005 ( -3.319 0.000 1.914) 3.831 5.176 ( 4.213 0.000 -7.066) 8.226 5.176 ( -4.213 0.000 7.066) 8.226 5.409 ( -6.074 0.000 1.281) 6.208 5.409 ( 6.074 0.000 -1.281) 6.208 5.606 ( -11.135 0.000 0.736) 11.159 5.606 ( 11.135 0.000 -0.736) 11.159 5.933 ( 1.776 0.000 -4.573) 4.905 5.933 ( -1.776 0.000 4.573) 4.905 6.090 ( 14.114 0.000 -11.098) 17.955 6.090 ( -14.114 0.000 11.098) 17.955 6.845 ( -2.741 0.000 -5.337) 6.000 6.845 ( 2.741 0.000 5.337) 6.000 6.986 ( -3.094 0.000 -0.823) 3.202 6.986 ( 3.094 0.000 0.823) 3.202 7.196 ( -4.477 0.000 -1.427) 4.699 7.196 ( 4.477 0.000 1.427) 4.699 7.613 ( -2.991 0.000 -2.034) 3.617 7.613 ( 2.991 0.000 2.034) 3.617 7.908 ( -2.558 0.000 0.651) 2.639 7.908 ( 2.558 0.000 -0.651) 2.639 8.164 ( -0.874 0.000 -0.881) 1.241 8.164 ( 0.874 0.000 0.881) 1.241 9.558 ( -1.372 0.000 -3.483) 3.744 9.558 ( 1.372 0.000 3.483) 3.744 9.754 ( 0.092 0.000 -6.870) 6.871 9.754 ( -0.092 0.000 6.870) 6.871 9.925 ( -3.035 0.000 -2.291) 3.802 9.925 ( 3.035 0.000 2.291) 3.802 10.096 ( -3.032 0.000 -5.096) 5.929 10.096 ( 3.032 0.000 5.096) 5.929 10.280 ( 0.918 0.000 -0.572) 1.082 10.280 ( -0.918 0.000 0.572) 1.082 10.841 ( 1.216 0.000 -1.421) 1.870 10.841 ( -1.216 0.000 1.421) 1.870 12.522 ( -2.330 0.000 -0.952) 2.517 12.522 ( 2.330 0.000 0.952) 2.517 12.627 ( -3.135 0.000 0.926) 3.269 12.627 ( 3.135 0.000 -0.926) 3.269 13.869 ( 1.484 0.000 -1.623) 2.199 13.869 ( -1.484 0.000 1.623) 2.199 14.171 ( -0.097 0.000 -5.978) 5.979 14.171 ( 0.097 0.000 5.978) 5.979 14.798 ( 0.982 0.000 -1.064) 1.448 14.798 ( -0.982 0.000 1.064) 1.448 14.900 ( -1.040 0.000 -0.341) 1.095 14.900 ( 1.040 0.000 0.341) 1.095 15.371 ( -1.154 0.000 -2.576) 2.823 15.371 ( 1.154 0.000 2.576) 2.823 15.496 ( -2.801 0.000 -1.495) 3.175 15.496 ( 2.801 0.000 1.495) 3.175 15.875 ( -0.768 0.000 -1.581) 1.758 15.875 ( 0.768 0.000 1.581) 1.758 16.008 ( -0.967 0.000 -0.263) 1.002 16.008 ( 0.967 0.000 0.263) 1.002 16.585 ( 1.390 0.000 -0.951) 1.684 16.585 ( -1.390 0.000 0.951) 1.684 16.779 ( -2.709 0.000 -3.488) 4.417 16.779 ( 2.709 0.000 3.488) 4.417 17.399 ( -0.604 0.000 -0.691) 0.918 17.399 ( 0.604 0.000 0.691) 0.918 17.554 ( -0.110 0.000 -0.299) 0.318 17.554 ( 0.110 0.000 0.299) 0.318 21.548 ( -3.422 0.000 0.055) 3.423 21.548 ( 3.422 0.000 -0.055) 3.423 21.595 ( -3.728 0.000 0.010) 3.728 21.595 ( 3.728 0.000 -0.010) 3.728 27.211 ( -1.357 0.000 -2.271) 2.645 27.211 ( 1.357 0.000 2.271) 2.645 27.281 ( -3.512 0.000 -2.568) 4.351 27.281 ( 3.512 0.000 2.568) 4.351 28.758 ( -0.233 0.000 0.029) 0.235 28.758 ( 0.233 0.000 -0.029) 0.235 28.815 ( -1.377 0.000 -0.024) 1.377 28.815 ( 1.377 0.000 0.024) 1.377 29.896 ( 1.338 0.000 -1.117) 1.743 29.896 ( -1.338 0.000 1.117) 1.743 29.988 ( -1.960 0.000 0.510) 2.026 29.988 ( 1.960 0.000 -0.510) 2.026 30.826 ( 0.642 0.000 -2.632) 2.709 30.826 ( -0.642 0.000 2.632) 2.709 31.273 ( 1.790 0.000 -5.436) 5.723 31.273 ( -1.790 0.000 5.436) 5.723 31.725 ( -2.915 0.000 -0.352) 2.936 31.725 ( 2.915 0.000 0.352) 2.936 31.880 ( 3.965 0.000 -8.183) 9.093 31.880 ( -3.965 0.000 8.183) 9.093 32.409 ( 0.952 0.000 -3.085) 3.229 32.409 ( -0.952 0.000 3.085) 3.229 33.202 ( 0.426 0.000 -2.897) 2.928 33.202 ( -0.426 0.000 2.897) 2.928 33.512 ( -1.050 0.000 -4.983) 5.093 33.512 ( 1.050 0.000 4.983) 5.093 34.152 ( -6.618 0.000 2.142) 6.956 34.152 ( 6.618 0.000 -2.142) 6.956 ======================= Grid point 166 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -3.743 8.691 -18.465) 20.749 1.097 ( 3.743 8.691 18.465) 20.749 1.257 ( -4.374 11.230 -24.133) 26.974 1.257 ( 4.374 11.230 24.133) 26.974 1.795 ( -0.862 -1.896 -3.495) 4.068 1.795 ( 0.862 -1.896 3.495) 4.068 1.973 ( 4.891 19.078 -30.525) 36.327 1.973 ( -4.891 19.078 30.525) 36.327 2.120 ( -3.002 2.581 -4.154) 5.738 2.120 ( 3.002 2.581 4.154) 5.738 2.372 ( 1.220 -4.900 -7.829) 9.316 2.372 ( -1.220 -4.900 7.829) 9.316 2.556 ( -1.981 -4.587 -2.584) 5.625 2.556 ( 1.981 -4.587 2.584) 5.625 2.710 ( -0.850 -5.097 -4.096) 6.594 2.710 ( 0.850 -5.097 4.096) 6.594 2.911 ( 3.670 1.785 -5.655) 6.974 2.911 ( -3.670 1.785 5.655) 6.974 3.128 ( -1.746 -6.169 -0.117) 6.412 3.128 ( 1.746 -6.169 0.117) 6.412 3.336 ( -3.977 -0.847 -4.132) 5.797 3.336 ( 3.977 -0.847 4.132) 5.797 3.646 ( 3.355 -2.741 -5.865) 7.292 3.646 ( -3.355 -2.741 5.865) 7.292 3.835 ( -1.568 2.199 -3.748) 4.620 3.835 ( 1.568 2.199 3.748) 4.620 3.977 ( 2.441 -3.880 -2.736) 5.338 3.977 ( -2.441 -3.880 2.736) 5.338 4.122 ( -1.778 3.186 -2.392) 4.362 4.122 ( 1.778 3.186 2.392) 4.362 4.269 ( -2.312 2.543 -4.565) 5.715 4.269 ( 2.312 2.543 4.565) 5.715 4.443 ( 0.769 0.222 -4.406) 4.478 4.443 ( -0.769 0.222 4.406) 4.478 4.590 ( 0.651 -1.722 -4.086) 4.482 4.590 ( -0.651 -1.722 4.086) 4.482 4.916 ( 1.950 -4.181 -5.276) 7.008 4.916 ( -1.950 -4.181 5.276) 7.008 5.135 ( 9.241 1.627 -8.909) 12.939 5.135 ( -9.241 1.627 8.909) 12.939 5.299 ( -6.473 2.200 -0.892) 6.895 5.299 ( 6.473 2.200 0.892) 6.895 5.487 ( 0.648 3.493 -3.783) 5.190 5.487 ( -0.648 3.493 3.783) 5.190 5.747 ( 0.167 -3.235 -7.403) 8.081 5.747 ( -0.167 -3.235 7.403) 8.081 6.226 ( -0.959 0.595 -11.955) 12.008 6.226 ( 0.959 0.595 11.955) 12.008 6.818 ( -0.490 1.459 -3.617) 3.931 6.818 ( 0.490 1.459 3.617) 3.931 6.913 ( 1.739 -3.637 -3.629) 5.424 6.913 ( -1.739 -3.637 3.629) 5.424 7.182 ( -3.205 1.149 -9.173) 9.784 7.182 ( 3.205 1.149 9.173) 9.784 7.830 ( -3.317 6.708 -6.899) 10.178 7.830 ( 3.317 6.708 6.899) 10.178 7.915 ( -0.661 -4.275 -1.322) 4.523 7.915 ( 0.661 -4.275 1.322) 4.523 8.258 ( -2.140 0.789 -2.083) 3.089 8.258 ( 2.140 0.789 2.083) 3.089 9.530 ( 1.907 5.199 -5.278) 7.650 9.530 ( -1.907 5.199 5.278) 7.650 9.660 ( -3.231 -2.059 -5.203) 6.461 9.660 ( 3.231 -2.059 5.203) 6.461 9.999 ( 0.333 -1.720 -5.503) 5.775 9.999 ( -0.333 -1.720 5.503) 5.775 10.121 ( -0.981 -0.544 -5.539) 5.652 10.121 ( 0.981 -0.544 5.539) 5.652 10.302 ( 2.236 0.835 -3.160) 3.960 10.302 ( -2.236 0.835 3.160) 3.960 10.748 ( 1.119 -7.561 -2.729) 8.116 10.748 ( -1.119 -7.561 2.729) 8.116 12.307 ( -0.381 4.034 -0.280) 4.061 12.307 ( 0.381 4.034 0.280) 4.061 12.655 ( -0.803 -1.322 -0.919) 1.799 12.655 ( 0.803 -1.322 0.919) 1.799 14.006 ( -0.129 -1.088 -1.284) 1.687 14.006 ( 0.129 -1.088 1.284) 1.687 14.155 ( 2.519 -1.333 -2.395) 3.723 14.155 ( -2.519 -1.333 2.395) 3.723 14.859 ( -3.250 -9.318 -3.010) 10.318 14.859 ( 3.250 -9.318 3.010) 10.318 15.138 ( 1.842 -1.291 -3.226) 3.933 15.138 ( -1.842 -1.291 3.226) 3.933 15.420 ( -2.721 5.536 -1.726) 6.405 15.420 ( 2.721 5.536 1.726) 6.405 15.594 ( -2.129 1.639 -0.620) 2.757 15.594 ( 2.129 1.639 0.620) 2.757 15.820 ( -1.730 2.634 -2.861) 4.257 15.820 ( 1.730 2.634 2.861) 4.257 16.143 ( -5.912 -4.453 -0.122) 7.403 16.143 ( 5.912 -4.453 0.122) 7.403 16.461 ( -7.176 0.742 -1.050) 7.290 16.461 ( 7.176 0.742 1.050) 7.290 16.609 ( -0.570 -1.218 -0.125) 1.351 16.609 ( 0.570 -1.218 0.125) 1.351 17.453 ( 1.745 1.843 -3.240) 4.116 17.453 ( -1.745 1.843 3.240) 4.116 17.732 ( 0.272 -0.772 -0.321) 0.879 17.732 ( -0.272 -0.772 0.321) 0.879 21.495 ( 1.078 2.046 -1.683) 2.860 21.495 ( -1.078 2.046 1.683) 2.860 21.864 ( -1.099 1.918 -0.244) 2.224 21.864 ( 1.099 1.918 0.244) 2.224 27.453 ( -0.604 -0.584 -2.448) 2.589 27.453 ( 0.604 -0.584 2.448) 2.589 27.880 ( 0.044 4.592 -3.360) 5.690 27.880 ( -0.044 4.592 3.360) 5.690 28.713 ( -0.006 -1.474 -0.837) 1.694 28.713 ( 0.006 -1.474 0.837) 1.694 29.071 ( 1.253 1.673 -4.492) 4.955 29.071 ( -1.253 1.673 4.492) 4.955 29.963 ( 0.518 0.060 -3.832) 3.867 29.963 ( -0.518 0.060 3.832) 3.867 30.345 ( 0.470 2.054 -2.054) 2.943 30.345 ( -0.470 2.054 2.054) 2.943 30.449 ( 0.240 2.263 -0.936) 2.460 30.449 ( -0.240 2.263 0.936) 2.460 30.994 ( -0.602 -7.396 -2.048) 7.698 30.994 ( 0.602 -7.396 2.048) 7.698 31.498 ( -4.615 3.696 -2.265) 6.332 31.498 ( 4.615 3.696 2.265) 6.332 31.683 ( -0.359 -0.056 -4.914) 4.927 31.683 ( 0.359 -0.056 4.914) 4.927 32.285 ( -5.219 0.500 -6.398) 8.271 32.285 ( 5.219 0.500 6.398) 8.271 32.746 ( -2.558 -13.615 -4.582) 14.592 32.746 ( 2.558 -13.615 4.582) 14.592 33.697 ( 1.657 11.201 -7.669) 13.675 33.697 ( -1.657 11.201 7.669) 13.675 33.978 ( -3.464 2.497 -3.924) 5.800 33.978 ( 3.464 2.497 3.924) 5.800 ======================= Grid point 168 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.841 7.203 -16.458) 18.891 1.070 ( 3.334 12.107 -20.354) 23.916 1.378 ( 10.173 6.216 14.173) 18.520 1.610 ( 9.220 7.029 22.187) 25.033 1.792 ( 0.839 0.910 -4.478) 4.646 1.878 ( 5.863 -0.705 0.834) 5.963 1.976 ( 22.096 17.815 -24.454) 37.465 2.059 ( 3.209 -2.034 -5.121) 6.377 2.175 ( 6.429 3.132 0.359) 7.160 2.272 ( 7.721 14.814 15.572) 22.837 2.372 ( 5.634 -3.954 -3.740) 7.834 2.434 ( 3.413 -5.997 -1.942) 7.169 2.505 ( 1.217 -1.845 -7.367) 7.692 2.631 ( 5.181 -5.737 0.329) 7.737 2.715 ( 5.509 -3.081 -2.304) 6.719 2.771 ( 2.741 -3.283 2.189) 4.804 2.930 ( -0.731 2.722 6.361) 6.957 2.967 ( 3.266 -2.536 -0.363) 4.151 3.059 ( -1.069 -1.746 6.858) 7.157 3.250 ( 5.699 -3.886 3.311) 7.651 3.299 ( 5.808 -5.615 -3.428) 8.775 3.423 ( 2.621 2.207 1.304) 3.666 3.611 ( -2.476 -1.556 1.966) 3.524 3.653 ( 1.047 -0.460 -6.106) 6.212 3.762 ( -2.952 0.342 -2.287) 3.750 3.836 ( -4.374 3.394 5.359) 7.705 3.978 ( 0.699 -2.726 0.121) 2.817 4.001 ( 1.290 -2.215 -0.514) 2.615 4.110 ( 0.787 4.787 0.578) 4.885 4.151 ( -4.695 1.968 -1.434) 5.289 4.197 ( 2.190 0.809 -0.532) 2.395 4.345 ( 0.469 1.418 1.286) 1.971 4.370 ( -4.689 1.535 0.402) 4.950 4.425 ( 1.186 0.280 -3.433) 3.643 4.581 ( 1.680 -1.127 -0.005) 2.023 4.641 ( 0.365 -5.112 -2.120) 5.547 4.859 ( -0.905 0.246 -0.018) 0.938 4.929 ( 0.967 -2.470 -1.476) 3.036 5.081 ( -3.169 7.859 3.015) 8.994 5.158 ( -1.639 0.372 0.932) 1.922 5.268 ( 1.173 -3.460 -1.290) 3.874 5.434 ( -0.624 1.805 1.738) 2.582 5.468 ( 7.958 -0.922 -2.316) 8.339 5.524 ( 0.152 1.466 0.914) 1.734 5.717 ( 2.139 -3.342 -4.400) 5.925 5.841 ( 5.305 -1.645 0.542) 5.581 6.105 ( -2.851 3.541 -6.311) 7.778 6.305 ( -3.083 -4.833 9.552) 11.140 6.747 ( -3.572 -2.172 1.155) 4.337 6.857 ( -3.980 -4.598 -0.078) 6.082 6.896 ( 2.832 1.646 -1.310) 3.528 6.932 ( 4.067 2.839 4.761) 6.875 7.132 ( 3.469 2.327 -7.104) 8.241 7.310 ( 3.165 -0.126 2.934) 4.317 7.646 ( -8.089 7.949 -6.547) 13.095 7.876 ( -0.438 1.079 3.283) 3.483 7.955 ( 1.448 -0.297 5.218) 5.423 7.982 ( 2.303 -3.176 3.247) 5.092 8.189 ( -2.514 1.272 -3.914) 4.822 8.294 ( 0.587 0.847 0.286) 1.070 9.512 ( -0.947 2.245 -0.245) 2.449 9.534 ( -2.046 5.508 4.623) 7.476 9.591 ( 1.497 0.595 -7.221) 7.398 9.757 ( 3.470 -3.239 0.760) 4.807 9.948 ( 0.178 -0.982 -7.280) 7.348 10.010 ( -1.146 -1.363 1.197) 2.145 10.072 ( -1.900 -0.485 1.438) 2.432 10.192 ( 1.245 0.445 3.210) 3.472 10.284 ( -1.883 1.971 1.844) 3.291 10.318 ( 1.499 -2.941 -1.111) 3.482 10.747 ( 0.759 -7.441 -1.362) 7.602 10.755 ( -0.638 -7.824 2.549) 8.254 12.316 ( 1.847 3.613 0.147) 4.060 12.345 ( 3.265 3.839 -0.379) 5.054 12.635 ( -0.548 -1.125 -0.398) 1.313 12.671 ( 0.278 -1.208 0.200) 1.255 13.962 ( -2.780 -0.500 -0.523) 2.872 13.993 ( -2.394 -0.207 -0.487) 2.452 14.117 ( -3.302 -1.414 2.771) 4.537 14.185 ( 1.946 -2.738 -0.775) 3.447 14.762 ( -3.884 -8.052 -3.234) 9.507 14.918 ( 0.836 -8.654 2.139) 8.953 15.098 ( -2.540 -0.461 0.628) 2.657 15.137 ( -1.628 1.251 -1.512) 2.550 15.338 ( -4.057 4.680 0.577) 6.221 15.439 ( -1.331 3.149 1.286) 3.653 15.548 ( -2.418 5.475 -2.314) 6.417 15.652 ( 3.547 0.330 0.007) 3.562 15.790 ( 0.980 2.846 -1.663) 3.439 15.872 ( 1.147 1.761 0.503) 2.161 16.018 ( -5.823 -2.375 4.514) 7.741 16.127 ( -6.940 1.333 -1.359) 7.197 16.477 ( 6.934 -5.068 0.539) 8.606 16.575 ( -1.662 -0.780 1.363) 2.287 16.615 ( 4.556 -2.524 -1.152) 5.334 16.650 ( 4.554 -0.372 1.633) 4.852 17.441 ( -1.344 1.519 1.830) 2.732 17.456 ( 0.004 1.655 -1.253) 2.076 17.714 ( -2.038 -0.509 0.589) 2.181 17.721 ( -1.604 -1.228 0.550) 2.094 21.462 ( -2.007 2.974 -0.911) 3.701 21.502 ( 0.917 1.799 -1.971) 2.822 21.810 ( -4.250 1.965 0.084) 4.683 21.852 ( -2.076 1.254 0.124) 2.429 27.391 ( -3.055 0.687 -3.881) 4.987 27.438 ( -2.683 -2.142 -1.614) 3.794 27.785 ( -9.368 6.052 1.920) 11.316 27.804 ( -9.165 5.459 2.467) 10.949 28.712 ( 0.515 -1.175 -0.693) 1.458 28.724 ( 0.458 -1.774 0.564) 1.918 29.007 ( -4.400 2.545 -2.066) 5.487 29.034 ( -4.229 2.345 0.808) 4.903 29.888 ( -3.650 0.332 -2.842) 4.638 29.911 ( -4.732 0.800 -0.484) 4.824 30.311 ( -2.827 1.068 -0.526) 3.067 30.326 ( -4.230 1.545 0.152) 4.505 30.444 ( 0.732 2.412 1.510) 2.938 30.478 ( 4.814 2.134 -0.505) 5.290 30.989 ( 5.895 -3.431 5.842) 8.981 31.165 ( 5.809 -11.067 -4.663) 13.340 31.481 ( 1.575 1.556 0.557) 2.283 31.607 ( -1.978 3.690 -0.989) 4.302 31.663 ( 2.738 3.558 -1.630) 4.776 31.859 ( 16.407 -0.637 12.800) 20.820 32.168 ( -1.100 0.222 -7.285) 7.371 32.415 ( 5.083 -0.440 1.141) 5.229 32.744 ( 6.681 -13.309 -3.465) 15.290 32.864 ( 7.107 -9.539 0.460) 11.904 33.562 ( -7.493 12.412 0.474) 14.506 33.788 ( 4.624 5.999 -3.453) 8.324 33.884 ( -4.436 1.817 -1.703) 5.087 34.095 ( 3.606 -0.643 7.427) 8.282 ======================= Grid point 169 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 16.751 6.037 -5.864) 18.746 1.112 ( 13.359 5.794 -8.631) 16.927 1.676 ( 10.864 4.974 10.392) 15.836 1.818 ( 5.934 1.831 0.613) 6.240 1.840 ( 2.385 2.594 11.010) 11.560 1.922 ( -1.377 -1.133 2.422) 3.008 2.079 ( 6.004 -1.234 -9.889) 11.635 2.205 ( 4.494 -0.762 -2.988) 5.450 2.324 ( 11.363 3.661 -10.035) 15.596 2.431 ( 8.844 -1.855 -5.208) 10.430 2.492 ( 9.335 -4.406 -0.490) 10.334 2.552 ( 5.846 1.324 -1.626) 6.210 2.611 ( 12.500 10.074 -0.254) 16.057 2.794 ( 12.495 -3.004 1.181) 12.905 2.828 ( 7.704 -0.263 -3.617) 8.515 2.849 ( 3.947 -5.241 0.954) 6.630 2.951 ( -0.904 0.925 4.483) 4.665 3.080 ( 8.225 -2.793 2.471) 9.031 3.147 ( 2.524 -0.337 7.486) 7.907 3.377 ( 5.347 -0.869 5.488) 7.711 3.411 ( 3.851 -4.545 1.080) 6.054 3.517 ( 4.972 0.466 -0.853) 5.066 3.583 ( -1.000 3.461 -5.080) 6.228 3.627 ( 2.764 1.343 1.639) 3.483 3.716 ( 2.411 6.341 -3.001) 7.418 3.837 ( -0.651 -3.653 6.004) 7.058 3.932 ( -3.029 5.566 -6.795) 9.291 3.970 ( -7.056 1.139 1.550) 7.313 4.065 ( -0.606 0.444 2.320) 2.439 4.120 ( -1.723 1.242 1.632) 2.679 4.203 ( -3.847 2.589 -1.062) 4.757 4.305 ( 5.571 1.237 -2.516) 6.237 4.418 ( 1.853 1.957 2.113) 3.425 4.466 ( 4.834 -1.250 -1.833) 5.319 4.573 ( -1.416 -6.021 -1.754) 6.430 4.618 ( -0.174 2.243 0.356) 2.278 4.846 ( 0.421 0.691 -4.245) 4.321 4.971 ( 3.900 -2.822 -1.769) 5.128 5.070 ( -1.463 5.305 8.485) 10.113 5.163 ( -1.352 -0.014 3.944) 4.170 5.229 ( -2.452 -1.726 -2.363) 3.818 5.424 ( -2.150 3.983 -0.111) 4.527 5.488 ( 0.052 -3.659 -0.857) 3.759 5.592 ( 5.086 -4.029 -4.512) 7.903 5.712 ( -0.338 -3.830 -2.030) 4.348 5.926 ( 4.560 3.245 -2.207) 6.016 6.052 ( 1.420 3.078 -3.978) 5.226 6.295 ( -3.313 -5.678 6.647) 9.349 6.716 ( 0.213 -3.546 0.223) 3.559 6.788 ( -3.140 -3.537 0.139) 4.732 6.975 ( 3.321 2.174 2.538) 4.711 7.071 ( 4.213 0.518 7.618) 8.721 7.143 ( 2.292 2.859 -4.811) 6.047 7.329 ( 0.187 0.479 -3.293) 3.333 7.475 ( -4.294 9.477 -6.155) 12.089 7.884 ( -2.600 -1.833 2.673) 4.155 7.995 ( -1.154 -4.227 0.845) 4.462 8.031 ( -1.320 2.475 10.068) 10.452 8.137 ( 0.473 1.606 -2.931) 3.376 8.281 ( -1.612 1.234 -0.878) 2.212 9.518 ( 0.081 2.100 4.164) 4.664 9.525 ( -1.644 3.298 3.233) 4.902 9.593 ( 3.849 2.126 -6.144) 7.556 9.780 ( 0.861 -4.367 -3.418) 5.612 9.905 ( 0.328 0.583 -6.247) 6.282 9.995 ( -1.489 -1.895 1.442) 2.809 10.053 ( -2.472 0.720 3.575) 4.406 10.195 ( -0.679 0.055 -1.781) 1.907 10.263 ( -0.722 -0.278 -0.627) 0.995 10.352 ( 1.175 -3.173 1.934) 3.897 10.744 ( 0.383 -7.645 -2.004) 7.912 10.769 ( -0.234 -7.611 2.896) 8.147 12.369 ( 3.117 2.440 0.884) 4.056 12.414 ( 4.329 3.316 -0.245) 5.458 12.631 ( -0.192 -1.251 0.476) 1.352 12.669 ( -0.279 -0.387 -0.324) 0.577 13.914 ( -1.834 0.156 -0.375) 1.878 13.930 ( -3.441 0.168 -0.240) 3.453 14.086 ( -2.199 -2.537 2.618) 4.258 14.212 ( 1.330 -3.663 -0.755) 3.970 14.691 ( -1.182 -5.289 -1.968) 5.766 14.927 ( -1.078 -6.464 1.655) 6.759 15.041 ( -3.909 2.126 -3.545) 5.690 15.070 ( -3.331 4.958 0.845) 6.032 15.306 ( -0.509 0.709 1.033) 1.353 15.405 ( -2.161 2.178 -1.345) 3.350 15.492 ( -0.964 6.877 -1.573) 7.121 15.710 ( 2.348 -0.808 -0.479) 2.528 15.793 ( -1.177 0.660 -0.374) 1.401 15.876 ( 1.155 4.046 -0.046) 4.208 15.983 ( -1.462 -0.835 -0.490) 1.753 16.042 ( -2.560 0.883 4.290) 5.073 16.531 ( 0.848 -0.046 -0.657) 1.074 16.592 ( 0.759 -2.911 -0.128) 3.011 16.641 ( 2.149 -3.346 -2.042) 4.470 16.770 ( 3.710 -2.934 3.928) 6.148 17.423 ( -0.826 0.981 -2.014) 2.388 17.441 ( -1.298 1.596 1.756) 2.704 17.668 ( -3.255 -0.691 0.338) 3.345 17.680 ( -3.160 -1.485 0.351) 3.509 21.429 ( -0.034 3.560 -1.342) 3.804 21.505 ( 1.218 1.446 -2.248) 2.938 21.730 ( -4.490 1.283 0.802) 4.738 21.807 ( -2.908 0.271 0.343) 2.940 27.298 ( -3.830 1.135 -2.562) 4.746 27.343 ( -4.294 -1.409 -4.233) 6.192 27.585 ( -11.055 8.923 1.374) 14.273 27.666 ( -8.436 2.563 2.497) 9.164 28.721 ( 0.909 -0.877 -0.352) 1.311 28.736 ( 0.536 -1.850 0.118) 1.930 28.915 ( -3.274 3.559 -1.956) 5.217 28.961 ( -3.883 2.159 0.299) 4.453 29.828 ( -0.649 0.236 -1.974) 2.091 29.846 ( -1.702 0.134 -0.461) 1.768 30.222 ( -6.243 0.473 -0.278) 6.267 30.234 ( -4.942 0.281 0.047) 4.950 30.519 ( 5.152 2.564 2.508) 6.277 30.593 ( 7.687 2.005 -1.475) 8.080 31.192 ( 7.711 -5.322 1.453) 9.481 31.200 ( 4.543 -5.670 0.639) 7.293 31.510 ( 0.812 1.810 -0.833) 2.151 31.598 ( 2.270 1.773 0.991) 3.046 31.683 ( 2.522 7.004 -2.317) 7.796 32.082 ( -1.190 1.154 -6.591) 6.797 32.225 ( 8.800 -2.311 8.930) 12.749 32.495 ( 3.979 0.454 -1.571) 4.302 32.909 ( 9.858 -10.189 1.810) 14.292 33.002 ( 7.895 -3.889 -0.238) 8.804 33.453 ( -5.545 9.126 3.268) 11.168 33.777 ( -5.731 0.358 -1.668) 5.980 33.830 ( 4.598 0.564 -5.969) 7.556 34.194 ( -0.027 -5.602 7.913) 9.696 ======================= Grid point 170 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 14.056 -0.582 -2.943) 14.372 1.446 ( 18.142 3.855 5.795) 19.431 1.791 ( -0.786 -1.644 -3.257) 3.732 1.925 ( 4.885 1.260 3.115) 5.929 2.007 ( 9.656 4.080 5.855) 12.007 2.019 ( 6.568 1.168 5.178) 8.445 2.104 ( 4.016 -3.914 -6.408) 8.515 2.258 ( 2.075 1.216 4.309) 4.934 2.386 ( 6.769 -4.151 -8.381) 11.545 2.520 ( 2.650 -1.108 0.007) 2.872 2.623 ( 7.622 0.864 -7.231) 10.542 2.665 ( 3.478 -4.699 1.795) 6.116 2.741 ( 3.098 0.441 -1.077) 3.310 2.854 ( 0.665 3.137 -1.491) 3.536 2.918 ( 0.815 -3.355 2.442) 4.229 2.966 ( 1.503 -1.871 1.750) 2.970 3.060 ( 7.213 4.270 3.772) 9.192 3.152 ( -2.617 -0.357 0.386) 2.669 3.297 ( 10.791 -1.773 1.542) 11.044 3.388 ( -3.491 -2.857 -1.472) 4.745 3.453 ( -2.127 6.316 -5.191) 8.448 3.562 ( 2.720 1.695 2.060) 3.810 3.645 ( -3.516 0.122 1.371) 3.776 3.688 ( 4.695 1.129 4.615) 6.679 3.748 ( -0.956 0.787 -3.112) 3.350 3.825 ( 0.320 5.786 -0.234) 5.800 3.890 ( 1.755 6.030 1.215) 6.397 3.963 ( 9.036 -0.398 0.793) 9.079 4.049 ( -3.072 2.006 2.036) 4.196 4.128 ( 0.240 -0.448 2.341) 2.396 4.182 ( 4.934 0.405 -0.736) 5.005 4.386 ( 3.552 0.198 -1.705) 3.945 4.439 ( -0.299 0.063 1.698) 1.726 4.534 ( 4.179 -1.722 -4.644) 6.481 4.581 ( 0.972 0.349 0.180) 1.048 4.624 ( 1.507 8.310 0.277) 8.450 4.845 ( 4.049 -5.435 -3.087) 7.448 5.025 ( 2.699 -4.193 -1.333) 5.161 5.124 ( -0.541 3.722 5.483) 6.649 5.143 ( -1.448 3.011 3.788) 5.050 5.224 ( 3.663 -2.551 -1.227) 4.629 5.350 ( -3.408 3.623 -1.693) 5.254 5.500 ( 0.695 -3.172 -0.813) 3.347 5.635 ( 3.977 -4.075 -3.905) 6.905 5.712 ( 2.403 -4.307 -0.649) 4.975 5.985 ( 3.513 5.876 -1.155) 6.943 6.054 ( 1.138 0.878 -4.801) 5.012 6.282 ( -4.721 -5.067 7.293) 10.058 6.754 ( -0.691 -1.074 0.740) 1.476 6.760 ( 3.906 -3.183 0.486) 5.062 7.029 ( 0.325 1.242 2.276) 2.613 7.124 ( 2.365 8.223 -7.248) 11.213 7.149 ( -2.462 -2.581 4.157) 5.478 7.318 ( -0.424 1.614 0.883) 1.888 7.415 ( 2.708 4.374 -4.488) 6.827 7.816 ( -5.537 0.672 0.312) 5.586 7.948 ( -2.722 -4.815 -0.494) 5.553 8.067 ( -3.300 2.898 7.491) 8.684 8.142 ( 1.275 1.088 -1.557) 2.288 8.234 ( -2.472 1.640 -0.286) 2.981 9.515 ( -0.936 2.663 2.108) 3.523 9.592 ( 2.439 1.492 6.556) 7.153 9.622 ( 3.213 2.150 -4.693) 6.080 9.772 ( 0.625 -3.459 -1.096) 3.682 9.860 ( -0.025 -0.055 -5.298) 5.298 9.970 ( -2.219 -2.008 2.200) 3.715 10.037 ( -2.017 0.975 2.603) 3.435 10.173 ( 0.062 -0.282 -1.770) 1.793 10.248 ( -0.010 -2.604 -1.816) 3.175 10.360 ( -1.200 -1.913 -0.689) 2.361 10.737 ( 0.369 -8.508 -1.453) 8.639 10.782 ( -0.339 -7.324 1.341) 7.453 12.432 ( 2.831 1.834 1.044) 3.531 12.493 ( 4.254 2.440 -0.031) 4.904 12.618 ( -1.140 -0.958 -0.716) 1.652 12.668 ( -0.057 0.309 0.919) 0.971 13.875 ( -1.307 -0.098 -1.261) 1.819 13.893 ( -1.315 0.151 1.222) 1.802 14.078 ( -1.099 -3.222 3.179) 4.658 14.212 ( 0.143 -4.252 -3.024) 5.219 14.694 ( 1.877 -2.503 0.311) 3.144 14.916 ( -1.329 -3.357 1.618) 3.957 14.934 ( -3.575 4.896 -3.936) 7.228 15.016 ( -3.276 2.777 -0.079) 4.295 15.314 ( 0.328 -0.364 0.158) 0.514 15.371 ( -0.261 1.653 -0.123) 1.678 15.486 ( 0.623 5.026 -0.083) 5.065 15.686 ( -4.184 0.255 -0.752) 4.259 15.793 ( 1.976 -0.809 -0.081) 2.137 15.908 ( 0.932 3.052 0.111) 3.193 15.968 ( 0.852 0.374 -0.791) 1.221 16.041 ( -1.329 -0.043 2.802) 3.101 16.560 ( 2.070 0.464 0.637) 2.215 16.585 ( 0.128 -0.752 -1.687) 1.851 16.658 ( 0.691 -3.098 -0.250) 3.184 16.830 ( 0.730 -2.987 1.059) 3.252 17.394 ( -0.468 0.843 -1.396) 1.697 17.433 ( -1.006 1.158 1.235) 1.969 17.608 ( -3.198 -1.077 0.082) 3.376 17.618 ( -3.275 -1.533 -0.349) 3.633 21.444 ( 2.019 2.589 -0.023) 3.283 21.516 ( 1.850 1.112 -2.028) 2.961 21.663 ( -3.725 0.520 1.291) 3.976 21.749 ( -3.676 -0.111 0.127) 3.680 27.226 ( -2.644 1.135 0.139) 2.881 27.251 ( -2.551 0.212 -1.786) 3.121 27.423 ( -7.400 5.471 -0.041) 9.203 27.528 ( -7.830 1.509 0.671) 8.002 28.737 ( 0.923 -0.738 -0.331) 1.227 28.747 ( 0.679 -1.154 0.176) 1.350 28.857 ( -2.004 3.115 -1.086) 3.859 28.901 ( -2.935 1.686 0.455) 3.415 29.826 ( 1.333 -0.358 -1.057) 1.739 29.836 ( 0.588 -0.514 0.151) 0.795 30.107 ( -5.805 -0.088 -0.239) 5.810 30.139 ( -5.475 -0.568 0.481) 5.526 30.652 ( 6.677 2.579 2.801) 7.686 30.718 ( 7.404 2.136 -2.892) 8.231 31.235 ( 3.841 -3.181 -3.766) 6.249 31.315 ( -1.766 -5.580 4.442) 7.348 31.574 ( 6.306 2.174 3.563) 7.562 31.671 ( 3.043 1.343 2.111) 3.940 31.737 ( 4.719 4.904 -0.450) 6.821 31.973 ( -3.629 0.707 -8.080) 8.885 32.382 ( 3.654 0.653 3.847) 5.346 32.530 ( 1.763 4.127 -3.502) 5.692 33.081 ( 7.888 -4.074 -0.036) 8.878 33.142 ( 6.321 -0.032 1.124) 6.420 33.411 ( -3.093 3.547 6.118) 7.719 33.653 ( -5.802 -0.840 -2.164) 6.249 33.885 ( 6.226 -3.672 -5.243) 8.929 34.211 ( -2.991 -7.499 4.499) 9.242 ======================= Grid point 171 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 9.809 -1.220 1.583) 10.010 1.712 ( 4.504 2.740 0.491) 5.295 1.802 ( 5.616 -2.049 0.630) 6.011 1.983 ( -0.324 -0.135 0.113) 0.369 2.110 ( 3.806 0.499 -1.320) 4.059 2.191 ( 4.005 0.011 1.429) 4.252 2.242 ( 11.938 -0.325 2.875) 12.284 2.344 ( 2.600 -2.262 4.454) 5.631 2.462 ( 7.601 -2.264 -4.134) 8.944 2.544 ( -0.085 -4.562 -0.199) 4.567 2.664 ( 3.897 3.125 -9.433) 10.674 2.690 ( -4.361 -8.381 5.540) 10.952 2.744 ( 2.783 3.764 -4.802) 6.706 2.855 ( -0.861 7.231 0.196) 7.285 2.887 ( -4.628 1.110 3.710) 6.035 3.024 ( -2.570 -2.572 0.414) 3.659 3.086 ( 0.765 -0.838 -0.688) 1.327 3.203 ( 6.039 3.190 7.428) 10.091 3.276 ( -4.386 -1.085 -6.855) 8.210 3.358 ( 0.946 3.071 0.562) 3.262 3.446 ( -6.340 1.211 2.450) 6.904 3.553 ( -1.948 1.384 0.725) 2.497 3.589 ( 2.714 0.561 -1.005) 2.948 3.659 ( -6.270 4.401 0.664) 7.689 3.687 ( -3.278 0.304 -1.229) 3.514 3.814 ( -7.340 1.737 4.763) 8.921 4.018 ( 6.632 -0.832 -1.525) 6.856 4.065 ( 7.295 2.584 4.871) 9.144 4.138 ( 2.806 -0.088 2.942) 4.066 4.188 ( 5.295 -0.010 -5.266) 7.468 4.295 ( 7.209 -0.186 -2.425) 7.608 4.397 ( -0.066 -2.041 1.688) 2.649 4.469 ( 2.100 1.995 -0.708) 2.982 4.554 ( 2.109 3.003 -5.046) 6.240 4.589 ( -0.584 1.185 2.486) 2.816 4.617 ( -1.785 5.042 -2.146) 5.763 4.955 ( 6.990 -3.255 -0.252) 7.714 5.045 ( 0.674 -1.087 0.438) 1.351 5.135 ( -1.124 0.435 2.396) 2.682 5.151 ( -1.188 3.265 0.252) 3.484 5.329 ( 3.341 0.159 -0.741) 3.426 5.356 ( 10.509 -0.945 -0.522) 10.564 5.489 ( -1.557 -1.059 0.601) 1.977 5.670 ( 0.771 -3.795 -1.329) 4.094 5.791 ( 6.660 -5.257 -1.527) 8.621 6.003 ( -2.504 0.703 -4.118) 4.870 6.036 ( 3.574 5.137 -2.628) 6.787 6.213 ( -9.433 -3.677 8.436) 13.178 6.780 ( 2.221 1.065 2.029) 3.191 6.838 ( 3.469 -2.154 -0.590) 4.126 7.021 ( -1.887 2.065 1.112) 3.010 7.077 ( -2.805 2.528 -1.849) 4.204 7.165 ( 4.475 5.559 -3.476) 7.938 7.295 ( -2.868 3.005 1.416) 4.389 7.482 ( 5.092 -1.995 0.025) 5.469 7.701 ( -6.039 -0.805 -1.426) 6.257 7.915 ( -0.091 -0.652 -0.351) 0.746 8.022 ( -5.267 2.913 2.863) 6.665 8.153 ( 1.303 1.016 -1.597) 2.298 8.195 ( -2.269 1.359 1.256) 2.928 9.528 ( 0.901 1.674 1.679) 2.537 9.618 ( -0.166 1.291 -3.769) 3.988 9.688 ( 1.998 1.018 5.906) 6.317 9.769 ( -0.228 -1.734 -2.041) 2.688 9.854 ( 1.923 -1.151 0.649) 2.333 9.969 ( -0.623 -1.433 1.735) 2.335 10.022 ( -0.300 0.798 2.472) 2.615 10.164 ( 0.009 0.636 -2.726) 2.799 10.232 ( -0.395 -4.126 -0.753) 4.213 10.303 ( -2.696 -1.931 -3.142) 4.568 10.739 ( 0.882 -8.800 -0.813) 8.881 10.775 ( -0.986 -7.751 0.248) 7.818 12.487 ( 2.301 1.607 0.920) 2.953 12.557 ( 1.230 0.850 0.044) 1.496 12.595 ( 0.935 0.819 -1.267) 1.775 12.667 ( -1.194 0.408 1.074) 1.657 13.859 ( 0.292 -0.050 -0.847) 0.897 13.881 ( -1.092 -0.099 0.941) 1.445 14.094 ( -0.235 -3.478 4.159) 5.427 14.177 ( -0.435 -4.174 -4.817) 6.389 14.749 ( 3.123 -0.487 0.999) 3.315 14.859 ( -2.206 3.442 -1.818) 4.474 14.906 ( -0.376 -0.930 -0.031) 1.004 14.954 ( -3.278 1.813 0.329) 3.760 15.326 ( 1.157 -0.138 0.532) 1.281 15.381 ( 0.271 0.354 0.398) 0.598 15.503 ( 1.021 3.952 0.219) 4.087 15.594 ( -4.332 1.261 -0.945) 4.610 15.833 ( 2.044 -0.727 0.295) 2.190 15.901 ( -0.985 0.317 -0.758) 1.283 15.992 ( 1.530 1.052 0.107) 1.860 16.034 ( -0.876 0.772 0.666) 1.344 16.574 ( 0.719 -0.275 -1.475) 1.664 16.596 ( 0.210 -0.047 -0.171) 0.275 16.689 ( 2.051 -1.619 3.109) 4.061 16.820 ( -1.345 -2.271 -1.726) 3.154 17.389 ( 0.369 0.542 0.114) 0.665 17.422 ( -0.876 0.822 0.229) 1.222 17.559 ( -2.020 -1.251 0.022) 2.376 17.563 ( -2.073 -1.543 -0.571) 2.647 21.492 ( 2.799 1.110 0.348) 3.031 21.545 ( 2.723 0.829 -1.252) 3.110 21.608 ( -3.165 0.251 0.991) 3.326 21.677 ( -4.005 0.308 -0.045) 4.017 27.204 ( -0.665 1.173 1.739) 2.201 27.231 ( 0.543 0.542 1.457) 1.647 27.307 ( -4.623 3.070 -1.607) 5.777 27.394 ( -6.138 0.834 -1.533) 6.381 28.749 ( 0.775 -0.295 -0.336) 0.895 28.763 ( 0.556 -0.140 0.375) 0.685 28.823 ( -0.851 2.082 -0.457) 2.295 28.858 ( -2.116 1.219 0.262) 2.456 29.853 ( 2.289 -0.728 -0.749) 2.516 29.863 ( 1.809 -0.896 0.713) 2.141 30.012 ( -4.044 -0.505 -0.292) 4.086 30.045 ( -4.951 -1.007 0.373) 5.066 30.787 ( 4.943 2.458 2.732) 6.159 30.814 ( 5.334 2.383 -3.202) 6.662 31.262 ( 1.430 -2.429 -2.952) 4.082 31.276 ( -3.587 -2.467 2.964) 5.267 31.696 ( 3.107 2.424 0.508) 3.973 31.742 ( 2.398 -0.937 3.245) 4.142 31.832 ( 2.867 0.855 3.936) 4.944 31.861 ( -0.885 0.528 -6.549) 6.630 32.444 ( 0.567 3.910 3.440) 5.238 32.512 ( 0.447 6.692 -5.605) 8.741 33.199 ( 5.125 1.370 -0.708) 5.353 33.234 ( 3.160 3.884 -0.295) 5.016 33.423 ( -0.849 -2.491 5.768) 6.340 33.542 ( -4.338 -2.734 -2.018) 5.511 33.976 ( 6.927 -5.892 -3.063) 9.596 34.164 ( -4.590 -7.503 2.052) 9.032 ======================= Grid point 172 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -3.882 0.605 -2.929) 4.901 1.694 ( 3.882 0.605 2.929) 4.901 1.921 ( -4.680 -0.559 -2.058) 5.143 1.921 ( 4.680 -0.559 2.058) 5.143 2.185 ( -2.675 0.056 -1.396) 3.018 2.185 ( 2.675 0.056 1.396) 3.018 2.402 ( 0.079 -5.436 -0.177) 5.440 2.402 ( -0.079 -5.436 0.177) 5.440 2.546 ( 0.190 -1.809 -0.318) 1.846 2.546 ( -0.190 -1.809 0.318) 1.846 2.643 ( 5.619 -0.961 -11.791) 13.097 2.643 ( -5.619 -0.961 11.791) 13.097 2.792 ( 5.730 4.659 -4.397) 8.595 2.792 ( -5.730 4.659 4.397) 8.595 2.906 ( -1.566 4.589 -4.784) 6.811 2.906 ( 1.566 4.589 4.784) 6.811 3.157 ( -3.661 -4.742 -3.462) 6.919 3.157 ( 3.661 -4.742 3.462) 6.919 3.374 ( -3.703 3.525 -3.369) 6.123 3.374 ( 3.703 3.525 3.369) 6.123 3.432 ( -7.067 3.824 -1.999) 8.280 3.432 ( 7.067 3.824 1.999) 8.280 3.588 ( 0.702 1.106 -4.413) 4.604 3.588 ( -0.702 1.106 4.413) 4.604 3.711 ( -5.302 -0.152 0.794) 5.363 3.711 ( 5.302 -0.152 -0.794) 5.363 4.122 ( -3.629 -3.969 -2.652) 5.997 4.122 ( 3.629 -3.969 2.652) 5.997 4.184 ( -0.153 2.766 -5.343) 6.018 4.184 ( 0.153 2.766 5.343) 6.018 4.401 ( 1.946 -1.432 -2.628) 3.570 4.401 ( -1.945 -1.432 2.628) 3.570 4.508 ( 0.670 5.393 -4.381) 6.980 4.508 ( -0.670 5.393 4.381) 6.980 4.591 ( 2.390 1.205 -5.506) 6.122 4.591 ( -2.390 1.205 5.506) 6.122 5.041 ( -2.648 0.052 0.644) 2.726 5.041 ( 2.648 0.052 -0.644) 2.726 5.129 ( 1.597 0.215 -4.547) 4.824 5.129 ( -1.597 0.215 4.547) 4.824 5.415 ( -4.300 -0.360 -0.310) 4.327 5.415 ( 4.300 -0.360 0.310) 4.327 5.582 ( -8.841 -2.479 -0.816) 9.218 5.582 ( 8.841 -2.479 0.816) 9.218 5.915 ( -5.579 -2.402 -1.182) 6.188 5.915 ( 5.579 -2.402 1.182) 6.188 6.096 ( 8.167 1.198 -8.052) 11.531 6.096 ( -8.167 1.198 8.052) 11.531 6.843 ( -1.406 0.222 -2.953) 3.278 6.843 ( 1.406 0.222 2.953) 3.278 7.021 ( -0.155 3.228 -3.197) 4.546 7.021 ( 0.155 3.228 3.197) 4.546 7.236 ( 1.211 3.537 -2.393) 4.439 7.236 ( -1.211 3.537 2.393) 4.439 7.584 ( -4.964 -2.722 -1.709) 5.913 7.584 ( 4.964 -2.722 1.709) 5.913 7.946 ( -2.484 2.388 0.338) 3.462 7.946 ( 2.484 2.388 -0.338) 3.462 8.169 ( 1.793 1.045 -1.619) 2.632 8.169 ( -1.793 1.045 1.619) 2.632 9.571 ( -0.468 1.261 -3.949) 4.172 9.571 ( 0.468 1.261 3.949) 4.172 9.743 ( 0.218 -0.895 -4.515) 4.608 9.743 ( -0.218 -0.895 4.515) 4.608 9.921 ( -3.193 -0.450 -2.286) 3.953 9.921 ( 3.193 -0.450 2.286) 3.953 10.099 ( -3.003 0.472 -5.842) 6.585 10.099 ( 3.003 0.472 5.842) 6.585 10.244 ( -0.819 -3.278 -2.773) 4.371 10.244 ( 0.819 -3.278 2.773) 4.371 10.755 ( 0.569 -8.403 -1.673) 8.587 10.755 ( -0.569 -8.403 1.673) 8.587 12.532 ( -1.412 1.020 -1.260) 2.151 12.532 ( 1.412 1.020 1.260) 2.151 12.637 ( -1.741 0.864 0.236) 1.958 12.637 ( 1.741 0.864 -0.236) 1.958 13.867 ( 0.859 -0.090 -1.433) 1.673 13.867 ( -0.859 -0.090 1.433) 1.673 14.131 ( -0.065 -3.744 -5.310) 6.498 14.131 ( 0.065 -3.744 5.310) 6.498 14.810 ( -2.030 1.138 -1.025) 2.543 14.810 ( 2.030 1.138 1.025) 2.543 14.912 ( 1.647 0.920 -1.040) 2.155 14.912 ( -1.647 0.920 1.040) 2.155 15.363 ( -1.352 -0.161 -1.316) 1.893 15.363 ( 1.352 -0.161 1.316) 1.893 15.530 ( -1.860 2.749 -0.637) 3.380 15.530 ( 1.860 2.749 0.637) 3.380 15.870 ( -1.065 -0.469 -1.219) 1.685 15.870 ( 1.065 -0.469 1.219) 1.685 16.018 ( -0.979 0.926 -0.257) 1.372 16.018 ( 0.979 0.926 0.257) 1.372 16.584 ( 0.700 -0.059 -0.614) 0.933 16.584 ( -0.700 -0.059 0.614) 0.933 16.762 ( -2.547 -1.644 -3.324) 4.499 16.762 ( 2.547 -1.644 3.324) 4.499 17.404 ( -0.741 0.533 -0.560) 1.071 17.404 ( 0.741 0.533 0.560) 1.071 17.540 ( 0.053 -1.392 -0.346) 1.435 17.540 ( -0.053 -1.392 0.346) 1.435 21.547 ( -1.877 -0.093 -0.701) 2.006 21.547 ( 1.877 -0.093 0.701) 2.006 21.607 ( -2.600 1.086 -0.353) 2.840 21.607 ( 2.600 1.086 0.353) 2.840 27.230 ( -1.840 1.759 -2.247) 3.395 27.230 ( 1.840 1.759 2.247) 3.395 27.287 ( -3.501 0.578 -2.557) 4.374 27.287 ( 3.501 0.578 2.557) 4.374 28.762 ( -0.756 0.377 0.153) 0.858 28.762 ( 0.756 0.377 -0.153) 0.858 28.827 ( -1.120 1.061 -0.047) 1.544 28.827 ( 1.120 1.061 0.047) 1.544 29.886 ( 1.150 -0.918 -1.001) 1.780 29.886 ( -1.150 -0.918 1.001) 1.780 29.978 ( -1.407 -0.910 0.333) 1.708 29.978 ( 1.407 -0.910 -0.333) 1.708 30.851 ( 0.629 2.412 -2.687) 3.665 30.851 ( -0.629 2.412 2.687) 3.665 31.255 ( 1.676 -1.801 -5.004) 5.576 31.255 ( -1.676 -1.801 5.004) 5.576 31.738 ( 0.194 1.182 -2.168) 2.477 31.738 ( -0.194 1.182 2.168) 2.477 31.867 ( 3.158 -1.194 -6.623) 7.434 31.867 ( -3.158 -1.194 6.623) 7.434 32.475 ( 0.396 6.622 -5.264) 8.469 32.475 ( -0.396 6.622 5.264) 8.469 33.253 ( 1.425 4.783 -3.703) 6.215 33.253 ( -1.425 4.783 3.703) 6.215 33.466 ( -0.144 -4.589 -4.948) 6.750 33.466 ( 0.144 -4.589 4.948) 6.750 34.080 ( 1.215 -6.937 -4.115) 8.157 34.080 ( -1.215 -6.937 4.115) 8.157 ======================= Grid point 178 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.506 9.689 -10.535) 15.005 1.286 ( 4.506 9.689 10.535) 15.005 1.528 ( -4.026 13.713 -18.916) 23.708 1.528 ( 4.026 13.713 18.916) 23.708 1.753 ( 0.007 -1.185 -5.083) 5.219 1.753 ( -0.007 -1.185 5.083) 5.219 2.078 ( -2.383 -1.884 -6.692) 7.349 2.078 ( 2.383 -1.884 6.692) 7.349 2.277 ( 2.391 -2.124 -4.691) 5.678 2.277 ( -2.391 -2.124 4.691) 5.678 2.360 ( 1.423 -4.416 -7.694) 8.985 2.360 ( -1.423 -4.416 7.694) 8.985 2.520 ( 4.130 12.104 -7.318) 14.735 2.520 ( -4.130 12.104 7.318) 14.735 2.663 ( -3.694 5.039 -0.787) 6.297 2.663 ( 3.694 5.039 0.787) 6.297 2.938 ( -0.449 -5.670 -4.102) 7.012 2.938 ( 0.449 -5.670 4.102) 7.012 3.038 ( 4.220 3.641 -10.341) 11.747 3.038 ( -4.220 3.641 10.341) 11.747 3.297 ( -6.166 -2.609 -1.225) 6.806 3.297 ( 6.166 -2.609 1.225) 6.806 3.515 ( 4.970 -10.097 -7.083) 13.298 3.515 ( -4.970 -10.097 7.083) 13.298 3.816 ( -2.748 -5.131 -0.963) 5.900 3.816 ( 2.748 -5.131 0.963) 5.900 4.013 ( -1.465 8.892 -1.725) 9.176 4.013 ( 1.465 8.892 1.725) 9.176 4.174 ( 3.337 0.958 -5.387) 6.409 4.174 ( -3.337 0.958 5.387) 6.409 4.313 ( -0.576 1.424 -3.901) 4.193 4.313 ( 0.576 1.424 3.901) 4.193 4.392 ( 2.471 -3.053 -3.254) 5.101 4.392 ( -2.471 -3.053 3.254) 5.101 4.556 ( -6.014 -3.426 -1.428) 7.067 4.556 ( 6.014 -3.426 1.428) 7.067 4.909 ( -0.192 2.149 -2.251) 3.118 4.909 ( 0.192 2.149 2.251) 3.118 5.130 ( 2.560 -1.380 -6.200) 6.848 5.130 ( -2.560 -1.380 6.200) 6.848 5.336 ( -4.237 2.234 -0.679) 4.838 5.336 ( 4.237 2.234 0.679) 4.838 5.550 ( -3.777 0.461 -4.624) 5.988 5.550 ( 3.777 0.461 4.624) 5.988 5.751 ( 4.247 4.893 -6.528) 9.197 5.751 ( -4.247 4.893 6.528) 9.197 6.191 ( 2.541 -4.089 -8.538) 9.802 6.191 ( -2.541 -4.089 8.538) 9.802 6.843 ( -3.346 -1.310 -0.744) 3.670 6.843 ( 3.346 -1.310 0.744) 3.670 6.896 ( 0.171 3.330 -5.520) 6.449 6.896 ( -0.171 3.330 5.520) 6.449 7.218 ( -1.922 2.530 -5.534) 6.381 7.218 ( 1.922 2.530 5.534) 6.381 7.759 ( -0.459 -7.368 -1.254) 7.488 7.759 ( 0.459 -7.368 1.254) 7.488 7.968 ( -1.472 4.608 -2.379) 5.390 7.968 ( 1.472 4.608 2.379) 5.390 8.256 ( -1.494 -1.578 -1.240) 2.502 8.256 ( 1.494 -1.578 1.240) 2.502 9.595 ( -3.320 -1.283 -2.553) 4.380 9.595 ( 3.320 -1.283 2.553) 4.380 9.703 ( 2.555 8.622 -5.810) 10.706 9.703 ( -2.555 8.622 5.810) 10.706 9.957 ( -0.160 -1.839 -4.185) 4.574 9.957 ( 0.160 -1.839 4.185) 4.574 10.102 ( -1.740 -1.672 -4.243) 4.881 10.102 ( 1.740 -1.672 4.243) 4.881 10.312 ( 0.792 0.189 -5.163) 5.227 10.312 ( -0.792 0.189 5.163) 5.227 10.562 ( 1.410 -10.171 -2.790) 10.641 10.562 ( -1.410 -10.171 2.790) 10.641 12.407 ( -0.836 5.735 -0.221) 5.800 12.407 ( 0.836 5.735 0.221) 5.800 12.612 ( -0.623 -3.196 -0.714) 3.333 12.612 ( 0.623 -3.196 0.714) 3.333 13.976 ( -0.104 -1.465 -2.377) 2.795 13.976 ( 0.104 -1.465 2.377) 2.795 14.143 ( 1.756 -0.070 -2.384) 2.961 14.143 ( -1.756 -0.070 2.384) 2.961 14.709 ( -1.700 -5.156 -2.889) 6.150 14.709 ( 1.700 -5.156 2.889) 6.150 15.119 ( 0.292 -0.874 -1.274) 1.572 15.119 ( -0.292 -0.874 1.274) 1.572 15.497 ( -0.073 2.220 -1.038) 2.452 15.497 ( 0.073 2.220 1.038) 2.452 15.664 ( 0.053 5.357 -1.073) 5.464 15.664 ( -0.053 5.357 1.073) 5.464 15.841 ( -0.278 -1.130 -2.250) 2.533 15.841 ( 0.278 -1.130 2.250) 2.533 16.074 ( -4.525 -2.072 -0.406) 4.993 16.074 ( 4.525 -2.072 0.406) 4.993 16.452 ( -3.914 -1.193 -1.031) 4.219 16.452 ( 3.914 -1.193 1.031) 4.219 16.592 ( -0.612 -0.538 -0.412) 0.913 16.592 ( 0.612 -0.538 0.412) 0.913 17.495 ( 1.162 2.174 -2.773) 3.710 17.495 ( -1.162 2.174 2.773) 3.710 17.709 ( 0.169 -1.376 -0.867) 1.635 17.709 ( -0.169 -1.376 0.867) 1.635 21.536 ( 0.531 1.805 -0.777) 2.036 21.536 ( -0.531 1.805 0.777) 2.036 21.897 ( -0.485 1.218 -0.498) 1.403 21.897 ( 0.485 1.218 0.498) 1.403 27.448 ( -0.201 0.017 -0.662) 0.692 27.448 ( 0.201 0.017 0.662) 0.692 27.952 ( -0.086 2.433 -3.232) 4.047 27.952 ( 0.086 2.433 3.232) 4.047 28.687 ( -0.006 -0.987 -0.245) 1.017 28.687 ( 0.006 -0.987 0.245) 1.017 29.098 ( 0.785 0.990 -3.160) 3.403 29.098 ( -0.785 0.990 3.160) 3.403 29.965 ( 0.169 0.080 -2.370) 2.378 29.965 ( -0.169 0.080 2.370) 2.378 30.395 ( -0.168 2.645 -1.371) 2.984 30.395 ( 0.168 2.645 1.371) 2.984 30.491 ( 0.011 1.668 -1.083) 1.989 30.491 ( -0.011 1.668 1.083) 1.989 30.864 ( 3.579 -5.174 -3.844) 7.372 30.864 ( -3.579 -5.174 3.844) 7.372 31.553 ( -4.626 1.818 -3.060) 5.837 31.553 ( 4.626 1.818 3.060) 5.837 31.680 ( -1.785 -0.242 -3.682) 4.099 31.680 ( 1.785 -0.242 3.682) 4.099 32.300 ( -4.037 1.095 -5.114) 6.607 32.300 ( 4.037 1.095 5.114) 6.607 32.539 ( -2.402 -7.351 -5.058) 9.241 32.539 ( 2.402 -7.351 5.058) 9.241 33.844 ( 0.743 4.335 -4.828) 6.531 33.844 ( -0.743 4.335 4.828) 6.531 34.027 ( -0.583 1.842 -4.939) 5.303 34.027 ( 0.583 1.842 4.939) 5.303 ======================= Grid point 180 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 1.812 13.021 -7.462) 15.116 1.339 ( -0.954 13.143 -14.397) 19.517 1.504 ( 9.521 5.535 8.354) 13.823 1.752 ( 4.395 1.605 3.011) 5.564 1.792 ( 3.843 5.612 8.562) 10.935 1.842 ( 3.243 -2.658 4.080) 5.851 2.028 ( 3.758 0.053 -5.283) 6.484 2.161 ( 2.797 -0.910 -6.726) 7.341 2.271 ( 4.907 -5.582 -7.773) 10.755 2.279 ( 4.444 -3.826 -5.671) 8.158 2.366 ( 7.646 4.087 -1.081) 8.737 2.461 ( 7.198 -4.140 -0.737) 8.336 2.561 ( 4.449 4.701 2.541) 6.953 2.595 ( 4.105 6.406 -1.375) 7.731 2.727 ( 10.362 12.228 2.413) 16.209 2.758 ( 3.986 2.402 5.086) 6.894 2.905 ( 1.214 -4.628 -1.638) 5.058 2.957 ( 1.660 2.542 -3.029) 4.288 3.062 ( 2.459 -2.060 4.876) 5.837 3.173 ( 6.568 0.951 3.498) 7.502 3.213 ( 0.244 -1.897 0.846) 2.091 3.432 ( 7.023 -1.258 2.434) 7.539 3.518 ( -0.606 -9.627 9.246) 13.361 3.558 ( 4.594 -7.488 -5.216) 10.217 3.759 ( -2.416 0.720 -0.933) 2.688 3.877 ( 2.897 -5.763 -0.198) 6.453 3.946 ( -3.265 3.531 -1.057) 4.924 4.034 ( 1.060 7.726 -0.845) 7.844 4.166 ( -0.634 -3.145 -1.805) 3.681 4.209 ( 3.214 4.161 -3.222) 6.166 4.255 ( -2.135 4.920 -1.080) 5.471 4.353 ( -3.786 -1.638 2.558) 4.855 4.377 ( 3.222 1.054 1.857) 3.865 4.402 ( 1.517 0.595 -1.962) 2.550 4.470 ( -3.194 -6.047 0.391) 6.849 4.675 ( 4.139 2.850 2.308) 5.530 4.877 ( -0.618 0.075 -1.460) 1.588 4.932 ( 0.060 2.252 2.005) 3.016 5.121 ( 1.118 -2.585 -2.049) 3.483 5.165 ( 0.537 -1.523 0.548) 1.706 5.268 ( -2.815 2.778 -0.112) 3.957 5.329 ( -3.583 -7.426 -2.030) 8.491 5.499 ( 1.345 4.981 1.291) 5.318 5.632 ( -2.400 4.709 2.092) 5.684 5.700 ( 0.194 1.764 0.637) 1.886 5.834 ( 8.145 0.899 -6.206) 10.279 6.147 ( -1.768 -0.204 -2.390) 2.980 6.188 ( -2.951 -6.011 4.014) 7.807 6.732 ( -4.511 0.169 -1.101) 4.646 6.796 ( -3.643 -2.157 0.574) 4.272 6.933 ( 3.122 3.490 -1.757) 5.001 7.013 ( 5.731 3.029 2.319) 6.885 7.192 ( 2.643 4.376 -3.203) 6.033 7.309 ( 2.977 -0.078 2.517) 3.899 7.719 ( -3.448 -1.878 -0.308) 3.938 7.771 ( -0.768 -7.430 3.867) 8.411 7.933 ( -1.007 2.165 -1.356) 2.746 8.025 ( 1.317 2.974 5.283) 6.204 8.206 ( -1.879 -0.271 -2.374) 3.040 8.276 ( 0.261 -3.058 -0.734) 3.156 9.530 ( -0.959 0.717 -1.830) 2.187 9.659 ( 1.885 -2.462 -1.414) 3.408 9.683 ( -1.885 5.211 0.998) 5.630 9.706 ( 1.553 9.963 -2.635) 10.422 9.921 ( -0.288 -1.609 -2.859) 3.293 9.969 ( -1.330 -2.193 0.595) 2.633 10.069 ( 0.100 0.184 -0.480) 0.524 10.184 ( 2.821 -2.903 4.871) 6.334 10.265 ( -1.622 -0.920 -3.446) 3.918 10.314 ( -2.208 0.755 1.584) 2.821 10.558 ( -0.141 -10.336 1.816) 10.495 10.575 ( 0.319 -9.363 0.321) 9.374 12.407 ( 1.015 5.315 -0.166) 5.414 12.439 ( 2.462 5.333 0.006) 5.874 12.597 ( -0.301 -2.839 -0.292) 2.869 12.631 ( 0.862 -3.006 0.113) 3.129 13.949 ( -1.008 -0.450 -1.591) 1.937 13.980 ( -1.851 -1.237 1.914) 2.936 14.101 ( -4.440 -0.094 2.436) 5.065 14.137 ( -0.158 -1.863 -1.727) 2.545 14.660 ( -1.141 -2.288 -2.279) 3.424 14.759 ( 1.323 -6.725 2.469) 7.285 15.091 ( -1.702 -0.052 -0.268) 1.724 15.128 ( -0.252 -1.535 0.057) 1.556 15.454 ( -3.258 5.056 -0.592) 6.044 15.483 ( -1.521 1.697 -0.016) 2.279 15.655 ( -1.129 5.188 0.843) 5.376 15.685 ( 1.036 3.520 0.178) 3.674 15.812 ( -1.104 -0.985 0.157) 1.488 15.876 ( 1.205 -2.647 1.297) 3.185 16.005 ( -2.182 2.025 -0.493) 3.017 16.122 ( -0.890 -1.826 -0.549) 2.104 16.420 ( 2.477 -0.481 0.747) 2.631 16.529 ( 2.523 -4.344 0.234) 5.029 16.582 ( 0.073 0.303 -0.444) 0.542 16.631 ( 2.833 -1.472 1.240) 3.425 17.479 ( -1.221 2.092 0.117) 2.426 17.494 ( -0.999 1.841 0.722) 2.216 17.690 ( -1.810 -1.527 -0.145) 2.373 17.697 ( -1.973 -1.301 0.861) 2.515 21.521 ( -0.809 2.546 -0.847) 2.802 21.536 ( 0.498 1.415 -1.705) 2.271 21.847 ( -4.216 1.684 -0.105) 4.541 21.873 ( -3.153 0.614 0.482) 3.249 27.404 ( -2.559 0.616 -3.236) 4.171 27.417 ( -2.455 -0.342 -2.782) 3.726 27.869 ( -7.433 3.423 1.474) 8.315 27.900 ( -9.275 2.744 5.265) 11.013 28.691 ( 0.633 -0.796 -0.274) 1.053 28.695 ( 0.621 -1.055 -0.010) 1.224 29.054 ( -3.081 1.954 -1.616) 3.990 29.072 ( -3.970 1.183 1.729) 4.489 29.900 ( -3.552 0.763 -2.526) 4.425 29.919 ( -4.486 0.030 -0.385) 4.503 30.338 ( -4.235 1.531 -0.098) 4.504 30.356 ( -5.651 1.134 -0.046) 5.764 30.504 ( 1.733 3.164 0.956) 3.732 30.524 ( 4.696 2.270 -0.024) 5.216 30.918 ( 6.836 -3.173 2.824) 8.048 30.984 ( 8.077 -7.153 -3.113) 11.229 31.517 ( 1.206 2.008 -0.754) 2.461 31.598 ( 0.032 -1.847 -2.890) 3.430 31.765 ( 4.716 4.207 4.449) 7.729 31.844 ( 13.253 -0.869 11.355) 17.473 32.191 ( -1.329 2.547 -8.215) 8.703 32.376 ( 4.370 -4.345 -4.771) 7.794 32.575 ( 8.286 -3.304 -0.502) 8.935 32.691 ( 9.914 -7.371 2.030) 12.520 33.747 ( -6.429 6.854 -0.906) 9.441 33.854 ( -1.927 0.903 -0.505) 2.187 33.947 ( -4.127 3.866 -2.082) 6.027 34.066 ( -1.128 -2.293 5.010) 5.624 ======================= Grid point 181 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 7.868 11.037 -4.907) 14.416 1.303 ( 8.516 11.510 -4.264) 14.939 1.740 ( 7.333 -0.643 6.524) 9.836 1.795 ( 5.906 -4.026 -3.143) 7.808 1.887 ( 1.485 1.801 0.043) 2.335 1.912 ( 1.340 2.296 7.400) 7.863 2.071 ( 2.651 0.426 -5.966) 6.543 2.192 ( 4.879 0.906 0.639) 5.003 2.260 ( 4.849 -6.986 -8.110) 11.751 2.366 ( 3.918 -6.776 0.113) 7.828 2.545 ( 4.388 1.870 1.167) 4.911 2.584 ( 6.185 2.062 -4.135) 7.721 2.674 ( 4.669 -0.133 -0.069) 4.672 2.739 ( 15.326 -0.598 -2.867) 15.603 2.813 ( 1.967 4.197 -0.724) 4.691 2.930 ( 8.693 -0.613 -1.396) 8.825 3.000 ( 5.490 3.613 -1.234) 6.687 3.046 ( 11.164 5.523 1.915) 12.602 3.119 ( 2.114 -3.463 1.562) 4.347 3.310 ( 4.021 -1.651 6.025) 7.429 3.356 ( 10.623 -0.621 5.087) 11.795 3.564 ( 1.542 -2.372 3.647) 4.616 3.592 ( 3.448 0.723 -2.607) 4.382 3.658 ( 8.804 -2.935 4.394) 10.268 3.741 ( 1.870 5.718 1.303) 6.156 3.837 ( -4.479 1.082 -2.932) 5.461 3.945 ( 1.568 -2.614 1.319) 3.322 4.042 ( 0.962 2.440 -1.863) 3.217 4.160 ( -2.031 1.453 -2.232) 3.350 4.169 ( 0.412 8.704 -0.246) 8.717 4.281 ( -3.420 4.266 0.639) 5.505 4.311 ( 4.882 -0.532 -0.149) 4.913 4.388 ( 0.463 -4.613 -1.435) 4.853 4.427 ( -1.009 -0.979 2.150) 2.569 4.476 ( 4.613 1.759 -1.663) 5.209 4.742 ( 1.045 7.645 3.143) 8.332 4.850 ( -0.316 -2.353 -5.989) 6.442 4.950 ( -0.174 -0.058 2.399) 2.406 5.096 ( -1.166 -2.037 0.593) 2.421 5.174 ( -1.284 -0.947 2.293) 2.793 5.198 ( -1.870 -1.054 1.390) 2.557 5.345 ( 3.094 -9.573 -1.205) 10.132 5.500 ( -1.291 0.390 -0.955) 1.652 5.540 ( -5.253 5.012 -0.730) 7.297 5.727 ( 0.958 2.972 -0.469) 3.157 5.944 ( 8.837 -2.332 -8.067) 12.191 6.107 ( -1.988 1.343 1.689) 2.934 6.175 ( -1.222 -4.282 3.167) 5.465 6.692 ( 1.145 0.646 -1.251) 1.814 6.758 ( -0.757 -0.722 0.386) 1.115 6.982 ( 2.088 1.367 1.962) 3.175 7.101 ( 1.940 0.584 1.521) 2.534 7.230 ( 3.200 5.786 -2.827) 7.192 7.351 ( 1.835 1.643 -1.524) 2.896 7.630 ( -4.773 3.906 -2.021) 6.490 7.783 ( -2.554 -8.503 4.591) 9.995 7.908 ( -0.686 0.636 -0.385) 1.012 8.082 ( -0.909 1.867 7.347) 7.635 8.171 ( 0.170 0.295 -1.663) 1.698 8.258 ( -0.757 -3.937 -2.020) 4.489 9.540 ( 1.871 1.341 1.587) 2.796 9.638 ( -2.482 7.080 0.307) 7.509 9.675 ( 1.706 -4.207 -1.841) 4.899 9.715 ( 0.957 8.289 -2.054) 8.593 9.886 ( -1.100 -2.694 -2.941) 4.137 9.948 ( -1.258 -2.411 0.050) 2.720 10.063 ( -1.046 0.596 0.576) 1.335 10.208 ( -2.261 -0.367 -1.310) 2.639 10.246 ( -0.049 -2.316 -1.213) 2.614 10.291 ( 0.543 -0.673 2.904) 3.030 10.566 ( -0.039 -9.431 -2.081) 9.658 10.585 ( -0.213 -9.731 3.298) 10.277 12.438 ( 2.180 4.301 0.269) 4.829 12.492 ( 3.138 4.221 -0.113) 5.261 12.596 ( 0.147 -2.325 0.098) 2.331 12.645 ( 0.758 -2.143 -0.065) 2.274 13.917 ( -1.478 0.379 -0.988) 1.818 13.941 ( -2.883 0.564 0.828) 3.052 14.041 ( -3.496 -1.441 2.186) 4.368 14.126 ( -0.005 -4.611 -1.170) 4.757 14.645 ( 0.968 0.262 -0.684) 1.214 14.796 ( 1.067 -6.413 1.642) 6.706 15.051 ( -2.077 0.714 -1.298) 2.551 15.109 ( -2.058 -1.091 0.410) 2.365 15.396 ( -2.680 6.075 0.786) 6.686 15.449 ( -2.026 1.958 -0.437) 2.851 15.614 ( -2.557 5.720 -0.878) 6.327 15.711 ( 0.992 1.181 0.284) 1.568 15.787 ( -1.878 -1.228 0.279) 2.262 15.901 ( 0.181 -4.421 1.026) 4.542 15.990 ( 0.933 4.388 -0.745) 4.548 16.078 ( -2.128 1.458 0.179) 2.586 16.498 ( 3.637 -1.997 0.547) 4.185 16.562 ( 1.636 -3.908 -0.108) 4.238 16.586 ( 0.880 1.324 -0.778) 1.770 16.701 ( 2.889 -3.795 1.948) 5.152 17.452 ( -1.145 1.881 -1.372) 2.594 17.476 ( -1.767 1.592 1.835) 3.004 17.640 ( -3.347 -1.730 -0.250) 3.776 17.651 ( -3.387 -1.474 0.344) 3.710 21.501 ( -0.265 3.162 -1.164) 3.380 21.532 ( 0.767 1.098 -2.051) 2.450 21.760 ( -4.982 1.724 0.499) 5.296 21.808 ( -3.982 -0.341 0.518) 4.029 27.321 ( -3.458 0.968 -2.927) 4.633 27.333 ( -3.495 0.020 -3.305) 4.811 27.721 ( -12.449 4.393 3.626) 13.690 27.723 ( -9.930 2.847 2.597) 10.652 28.706 ( 1.092 -0.584 -0.155) 1.248 28.709 ( 0.985 -0.867 -0.056) 1.313 28.979 ( -3.571 2.606 -1.052) 4.544 29.000 ( -4.264 1.497 0.576) 4.555 29.835 ( -1.471 0.379 -1.723) 2.298 29.846 ( -2.289 -0.099 -0.814) 2.431 30.233 ( -6.997 0.567 -0.076) 7.020 30.240 ( -6.156 0.240 -0.004) 6.160 30.585 ( 5.601 3.842 1.829) 7.034 30.637 ( 7.303 1.982 -0.686) 7.598 31.085 ( 7.739 -4.881 0.526) 9.165 31.090 ( 5.637 -4.893 -0.019) 7.464 31.548 ( 2.228 2.122 0.050) 3.077 31.610 ( 2.431 -0.401 1.069) 2.685 31.844 ( 2.358 8.355 -0.439) 8.692 32.084 ( -0.673 -2.594 -4.844) 5.536 32.209 ( 10.320 2.660 7.605) 13.092 32.463 ( 9.019 -4.959 -3.255) 10.795 32.767 ( 11.216 -2.635 1.196) 11.583 32.903 ( 11.980 -5.786 -0.502) 13.313 33.618 ( -6.602 7.375 -0.396) 9.906 33.773 ( -5.183 -1.047 -2.466) 5.835 33.861 ( -3.450 2.721 -1.117) 4.534 34.066 ( -2.896 -6.922 4.789) 8.901 ======================= Grid point 182 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 9.292 5.216 -1.618) 10.778 1.547 ( 12.507 4.788 5.153) 14.350 1.784 ( 0.538 1.114 -3.014) 3.258 1.931 ( 6.684 -0.885 -2.890) 7.336 1.968 ( 5.408 -3.768 1.509) 6.761 2.029 ( 8.518 -1.630 4.872) 9.947 2.100 ( 3.658 2.301 -1.558) 4.594 2.275 ( 0.499 -0.190 4.711) 4.741 2.320 ( 7.434 -2.872 -5.981) 9.964 2.441 ( 4.713 -9.951 0.352) 11.016 2.537 ( -2.387 0.207 -0.607) 2.472 2.632 ( 4.586 -0.295 -8.539) 9.697 2.780 ( 5.890 -1.782 1.050) 6.242 2.842 ( 2.426 1.742 -0.635) 3.053 2.941 ( 6.496 0.928 -3.145) 7.277 3.008 ( 1.725 5.481 0.993) 5.831 3.109 ( 3.521 -0.958 2.281) 4.303 3.168 ( 2.057 0.053 1.302) 2.435 3.239 ( 5.451 0.524 3.033) 6.260 3.354 ( -2.187 -1.932 3.903) 4.873 3.493 ( -1.929 -0.354 -0.485) 2.020 3.565 ( 1.004 -1.075 0.250) 1.492 3.703 ( 1.952 3.940 1.703) 4.716 3.745 ( 0.823 2.869 3.431) 4.548 3.781 ( -0.294 2.545 -0.538) 2.618 3.854 ( 4.132 -2.335 2.037) 5.165 3.992 ( 5.915 5.091 -1.732) 7.994 4.044 ( -0.041 5.549 -0.026) 5.549 4.149 ( 2.806 2.861 1.386) 4.241 4.164 ( -4.156 8.947 1.636) 10.000 4.219 ( 2.392 4.925 -0.967) 5.560 4.384 ( -0.624 -0.441 -2.647) 2.755 4.438 ( 3.968 -0.282 -0.009) 3.978 4.466 ( 7.940 -6.856 -1.085) 10.546 4.572 ( 4.906 0.923 -0.798) 5.056 4.745 ( -0.863 -4.247 -4.302) 6.107 4.808 ( 1.755 8.769 1.502) 9.068 4.974 ( 1.568 -0.274 -0.451) 1.655 5.111 ( 1.274 -4.188 1.807) 4.736 5.191 ( 1.610 -0.747 2.164) 2.798 5.221 ( 2.003 0.605 3.988) 4.503 5.345 ( -1.429 -4.866 -0.462) 5.093 5.455 ( -2.088 1.994 -2.088) 3.563 5.515 ( 4.190 -5.609 -2.906) 7.581 5.731 ( 0.466 4.239 -1.073) 4.398 6.003 ( 3.493 -4.913 -7.341) 9.499 6.103 ( 0.073 2.948 1.740) 3.424 6.180 ( -2.054 -3.074 4.830) 6.083 6.741 ( 4.347 1.463 -0.709) 4.642 6.776 ( 2.653 1.765 0.050) 3.187 7.030 ( 0.685 -0.098 3.254) 3.326 7.116 ( -0.524 -0.937 0.615) 1.237 7.255 ( 2.406 5.932 -3.741) 7.414 7.370 ( 0.770 3.246 -0.148) 3.339 7.531 ( -3.367 4.892 -3.075) 6.688 7.725 ( -5.504 -9.152 0.551) 10.694 7.908 ( 0.332 2.524 0.654) 2.628 8.095 ( -3.180 1.038 5.671) 6.584 8.176 ( 0.695 0.282 -0.540) 0.924 8.227 ( -1.003 -3.172 -1.307) 3.575 9.582 ( 0.264 3.256 -1.846) 3.752 9.621 ( 0.265 2.112 5.330) 5.739 9.698 ( -0.052 0.613 0.195) 0.646 9.730 ( 2.665 4.360 1.038) 5.214 9.842 ( -0.981 -1.569 -3.766) 4.196 9.921 ( -1.372 -2.617 1.394) 3.267 10.046 ( -1.206 0.184 0.358) 1.271 10.160 ( -2.563 -2.617 0.894) 3.770 10.222 ( 0.827 1.100 -4.475) 4.682 10.322 ( -0.372 -1.077 0.578) 1.277 10.538 ( -0.742 -10.507 -1.953) 10.712 10.597 ( -0.468 -10.301 0.762) 10.339 12.484 ( 2.320 3.201 0.587) 3.997 12.546 ( 2.657 2.492 -0.110) 3.645 12.599 ( 0.270 -0.912 -0.197) 0.971 12.660 ( 0.597 -1.313 0.409) 1.500 13.881 ( -1.632 0.827 0.148) 1.836 13.908 ( -1.031 1.224 -0.266) 1.622 14.013 ( -1.480 -2.687 2.359) 3.870 14.110 ( -0.330 -5.592 -2.280) 6.048 14.685 ( 3.170 1.384 0.784) 3.547 14.828 ( 1.694 -4.888 0.522) 5.199 14.991 ( -3.289 2.025 -1.382) 4.102 15.058 ( -3.788 0.052 0.462) 3.816 15.366 ( -1.306 4.791 0.329) 4.976 15.412 ( -1.442 2.077 0.461) 2.570 15.575 ( -0.722 4.149 -0.897) 4.306 15.685 ( -3.556 -0.506 -0.419) 3.616 15.787 ( 1.902 0.305 -0.175) 1.934 15.899 ( -0.491 -3.786 -0.246) 3.825 16.011 ( 1.137 3.515 -0.040) 3.694 16.058 ( -0.985 1.200 1.287) 2.017 16.548 ( 1.777 -0.872 0.097) 1.982 16.587 ( 1.724 -2.220 -1.966) 3.430 16.609 ( 1.412 1.280 1.811) 2.629 16.753 ( 1.348 -4.562 0.737) 4.814 17.422 ( -0.752 1.933 -1.345) 2.472 17.460 ( -1.448 1.272 1.437) 2.404 17.573 ( -3.223 -2.090 -0.712) 3.907 17.586 ( -3.543 -1.741 -0.030) 3.948 21.499 ( 0.675 2.601 -0.304) 2.704 21.537 ( 1.271 0.710 -1.534) 2.115 21.682 ( -3.959 1.458 0.652) 4.269 21.740 ( -3.691 -0.867 0.264) 3.801 27.250 ( -2.448 1.044 -0.478) 2.704 27.259 ( -2.293 0.422 -1.143) 2.597 27.525 ( -10.007 4.165 0.653) 10.859 27.561 ( -9.105 1.540 0.911) 9.280 28.726 ( 1.236 -0.273 -0.205) 1.282 28.732 ( 1.385 -0.477 0.327) 1.501 28.913 ( -2.878 2.341 -0.670) 3.770 28.933 ( -3.360 1.267 0.297) 3.603 29.819 ( 0.669 -0.281 -0.933) 1.182 29.824 ( 0.212 -0.551 -0.238) 0.637 30.106 ( -6.439 0.113 -0.044) 6.440 30.126 ( -6.226 -0.755 0.288) 6.278 30.719 ( 6.742 3.842 2.267) 8.084 30.766 ( 7.361 2.229 -1.800) 7.899 31.165 ( 4.111 -3.421 -1.986) 5.705 31.196 ( 1.972 -5.632 2.226) 6.369 31.619 ( 4.115 2.289 3.459) 5.842 31.683 ( 2.825 -0.410 3.650) 4.634 31.855 ( 1.259 6.414 -3.938) 7.631 31.983 ( -3.014 -0.107 -8.437) 8.960 32.427 ( 6.852 4.406 6.517) 10.432 32.608 ( 6.815 2.092 -1.086) 7.211 32.982 ( 10.054 -4.169 2.502) 11.168 33.106 ( 10.284 -4.176 -0.646) 11.119 33.506 ( -5.242 5.589 -0.541) 7.681 33.646 ( -5.852 -0.262 -3.053) 6.606 33.819 ( -0.129 -1.642 -0.508) 1.723 34.037 ( -3.356 -9.463 2.765) 10.414 ======================= Grid point 183 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 9.774 2.428 2.884) 10.475 1.749 ( 5.312 -3.880 3.738) 7.566 1.791 ( 2.371 5.466 -2.418) 6.430 1.963 ( -0.997 -1.608 -2.743) 3.332 2.094 ( 7.255 -0.973 -3.545) 8.133 2.194 ( 5.426 0.548 3.113) 6.279 2.227 ( 6.156 -3.468 2.654) 7.548 2.271 ( -0.871 -2.662 4.248) 5.088 2.407 ( 4.692 -3.538 -4.181) 7.212 2.516 ( 1.358 -7.006 2.844) 7.682 2.531 ( 3.297 1.848 0.250) 3.788 2.652 ( 5.674 -1.767 -11.767) 13.182 2.843 ( 0.523 1.874 0.038) 1.946 2.890 ( -1.489 -0.886 1.228) 2.124 2.913 ( -3.038 -2.896 2.470) 4.870 3.072 ( 2.468 12.979 0.683) 13.230 3.117 ( -2.251 -0.794 -4.220) 4.848 3.207 ( -1.510 -1.322 0.435) 2.054 3.286 ( 5.178 3.142 5.614) 8.258 3.393 ( 5.904 -0.370 -0.691) 5.956 3.489 ( -2.730 1.197 3.164) 4.347 3.542 ( -2.526 -1.321 5.371) 6.081 3.637 ( -4.762 3.980 -4.251) 7.523 3.690 ( -5.402 0.409 1.277) 5.566 3.791 ( -3.270 5.138 0.737) 6.135 3.826 ( -7.168 1.959 1.663) 7.614 3.999 ( -0.581 -1.124 -0.119) 1.271 4.116 ( -2.139 -2.057 -0.245) 2.978 4.194 ( 9.364 7.642 1.825) 12.224 4.236 ( 3.736 3.881 1.131) 5.505 4.296 ( 4.415 1.107 -1.567) 4.814 4.355 ( 0.254 -0.035 -0.984) 1.017 4.506 ( 4.507 0.721 -1.533) 4.815 4.578 ( 4.446 -1.547 -1.215) 4.861 4.611 ( 0.987 1.636 -0.286) 1.932 4.680 ( -1.857 -0.873 -4.893) 5.306 4.925 ( 5.197 4.229 2.881) 7.293 4.994 ( 1.729 -1.401 -1.850) 2.894 5.173 ( 2.070 1.459 3.664) 4.454 5.250 ( 3.497 -6.443 -1.360) 7.457 5.277 ( 0.681 5.614 2.649) 6.245 5.379 ( 5.216 0.685 2.765) 5.943 5.422 ( 1.017 -3.257 -3.734) 5.058 5.574 ( 3.028 -5.817 -2.293) 6.947 5.743 ( 2.399 0.920 -0.633) 2.646 5.959 ( -3.309 -5.849 -3.771) 7.707 6.124 ( 1.447 3.162 -1.130) 3.656 6.164 ( -3.684 -0.105 5.223) 6.392 6.814 ( 3.520 2.338 0.193) 4.230 6.842 ( 3.545 1.541 -0.661) 3.922 7.059 ( -0.194 1.779 3.904) 4.295 7.109 ( -0.234 0.895 -0.595) 1.100 7.271 ( 2.981 4.790 -4.016) 6.925 7.362 ( -2.876 3.032 2.347) 4.793 7.479 ( 0.613 1.327 -2.450) 2.853 7.614 ( -5.694 -7.094 -1.161) 9.170 7.930 ( 2.111 3.041 -0.404) 3.723 8.052 ( -4.948 1.076 3.301) 6.045 8.181 ( 0.837 0.138 -1.577) 1.791 8.204 ( -1.392 -1.703 0.762) 2.328 9.572 ( 1.127 2.407 -1.975) 3.311 9.637 ( -2.598 0.337 2.204) 3.424 9.710 ( 0.486 1.037 2.581) 2.824 9.779 ( -0.555 3.123 -2.836) 4.255 9.825 ( 2.766 -0.658 3.915) 4.839 9.943 ( 0.814 -1.087 2.562) 2.900 10.029 ( 0.097 -0.147 0.471) 0.502 10.137 ( -1.116 -5.009 1.363) 5.310 10.202 ( 0.652 2.791 -4.503) 5.338 10.275 ( -3.208 0.548 -2.816) 4.303 10.526 ( 0.641 -11.930 -0.678) 11.967 10.579 ( -1.409 -11.249 -0.676) 11.357 12.527 ( 1.743 2.260 0.626) 2.922 12.570 ( 0.069 0.346 -0.428) 0.555 12.618 ( 2.009 1.342 -0.128) 2.420 12.667 ( -0.353 -0.580 0.494) 0.839 13.867 ( -0.291 1.047 0.677) 1.280 13.891 ( -0.606 1.100 -0.689) 1.433 14.019 ( -0.192 -3.498 2.965) 4.589 14.080 ( -0.457 -5.163 -3.306) 6.147 14.761 ( 4.059 1.581 0.847) 4.438 14.863 ( 2.263 -2.673 -1.781) 3.929 14.921 ( -3.441 2.556 0.618) 4.330 14.985 ( -4.301 0.508 0.754) 4.396 15.354 ( 0.213 2.856 0.021) 2.864 15.401 ( -1.000 1.186 0.905) 1.796 15.568 ( 0.299 2.625 -0.350) 2.665 15.615 ( -2.820 0.579 -0.827) 2.995 15.825 ( 2.113 0.071 -0.171) 2.121 15.883 ( -0.917 -1.985 -0.416) 2.226 16.025 ( 0.527 1.860 0.079) 1.935 16.050 ( -0.856 0.615 0.647) 1.236 16.573 ( 1.148 0.358 -0.132) 1.210 16.596 ( 0.547 0.051 -1.104) 1.233 16.661 ( 2.100 -0.707 2.792) 3.564 16.758 ( -0.556 -3.839 -1.180) 4.054 17.410 ( 0.209 1.624 -0.361) 1.676 17.443 ( -1.249 1.255 0.540) 1.851 17.520 ( -1.699 -2.422 -0.828) 3.073 17.530 ( -2.382 -1.879 0.042) 3.034 21.517 ( 1.332 1.384 0.149) 1.927 21.554 ( 1.089 -0.161 -0.467) 1.196 21.627 ( -2.011 1.639 0.131) 2.598 21.678 ( -3.150 -0.374 0.022) 3.173 27.229 ( -0.133 1.197 1.437) 1.875 27.243 ( 0.462 0.470 1.495) 1.634 27.371 ( -6.406 2.976 -1.425) 7.206 27.411 ( -6.781 0.659 -1.405) 6.956 28.749 ( 1.412 0.299 -0.059) 1.444 28.761 ( 1.223 -0.143 0.418) 1.301 28.863 ( -1.910 1.801 -0.367) 2.651 28.881 ( -2.440 0.915 0.090) 2.608 29.838 ( 1.939 -0.649 -0.543) 2.116 29.844 ( 1.661 -0.913 0.312) 1.921 30.003 ( -4.573 -0.327 -0.125) 4.587 30.022 ( -5.097 -1.213 0.232) 5.245 30.848 ( 4.803 3.424 2.330) 6.342 30.869 ( 5.315 2.791 -2.441) 6.480 31.203 ( 0.777 -3.087 -0.083) 3.184 31.214 ( -0.120 -3.401 0.268) 3.413 31.724 ( 2.902 0.551 4.219) 5.150 31.745 ( 0.438 0.463 3.687) 3.742 31.849 ( 1.253 1.205 -3.248) 3.683 31.873 ( -1.668 0.444 -6.849) 7.063 32.570 ( 3.489 8.737 6.198) 11.266 32.674 ( 2.627 8.635 -4.046) 9.892 33.161 ( 6.774 -5.114 3.620) 9.227 33.265 ( 7.674 -4.816 -1.556) 9.193 33.412 ( -4.470 4.307 -0.338) 6.217 33.523 ( -5.120 1.502 -2.417) 5.858 33.847 ( 3.151 -5.857 -0.040) 6.651 33.986 ( -3.661 -9.749 0.865) 10.449 ======================= Grid point 184 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -5.204 3.222 -4.609) 7.661 1.733 ( 5.204 3.222 4.609) 7.661 1.877 ( -4.167 -3.485 -4.753) 7.218 1.877 ( 4.167 -3.485 4.753) 7.218 2.175 ( -2.378 -0.624 -0.154) 2.464 2.175 ( 2.378 -0.624 0.154) 2.464 2.315 ( -1.267 -3.514 -1.831) 4.161 2.315 ( 1.267 -3.514 1.831) 4.161 2.502 ( -5.791 -1.415 -1.797) 6.227 2.502 ( 5.791 -1.415 1.797) 6.227 2.617 ( -1.614 -2.172 -7.408) 7.887 2.617 ( 1.614 -2.172 7.408) 7.887 2.829 ( 0.787 0.648 -3.447) 3.595 2.829 ( -0.787 0.648 3.447) 3.595 2.972 ( -4.205 -2.572 -3.531) 6.063 2.972 ( 4.205 -2.572 3.531) 6.063 3.171 ( -3.286 9.326 -1.122) 9.951 3.171 ( 3.286 9.326 1.122) 9.951 3.441 ( -3.799 2.612 -0.742) 4.670 3.441 ( 3.799 2.612 0.742) 4.670 3.504 ( -4.677 1.692 -0.365) 4.987 3.504 ( 4.677 1.692 0.365) 4.987 3.584 ( 0.851 -1.349 -2.373) 2.859 3.584 ( -0.851 -1.349 2.373) 2.859 3.741 ( 4.024 4.361 -6.191) 8.575 3.741 ( -4.024 4.361 6.191) 8.575 4.039 ( -3.596 -5.314 -1.285) 6.544 4.039 ( 3.596 -5.314 1.285) 6.544 4.283 ( 0.824 4.882 -2.362) 5.486 4.283 ( -0.823 4.882 2.362) 5.486 4.351 ( 0.624 -0.870 -1.329) 1.707 4.351 ( -0.624 -0.870 1.329) 1.707 4.591 ( 1.171 1.812 -5.523) 5.930 4.591 ( -1.171 1.812 5.523) 5.930 4.618 ( 2.654 1.393 -6.064) 6.764 4.618 ( -2.654 1.393 6.064) 6.764 4.992 ( -0.124 0.298 -1.983) 2.010 4.992 ( 0.124 0.298 1.983) 2.010 5.229 ( -0.413 3.442 -4.700) 5.840 5.229 ( 0.413 3.442 4.700) 5.840 5.366 ( -2.506 -2.541 -4.523) 5.762 5.366 ( 2.506 -2.541 4.523) 5.762 5.533 ( -5.574 -2.393 -2.503) 6.562 5.533 ( 5.574 -2.393 2.503) 6.562 5.839 ( -5.694 -4.540 -1.772) 7.494 5.839 ( 5.694 -4.540 1.772) 7.494 6.139 ( 2.570 2.533 -3.759) 5.211 6.139 ( -2.570 2.533 3.759) 5.211 6.862 ( -0.607 1.562 -1.131) 2.022 6.862 ( 0.607 1.562 1.131) 2.022 7.090 ( -0.220 3.135 -3.412) 4.639 7.090 ( 0.220 3.135 3.412) 4.639 7.311 ( 4.258 3.525 -3.124) 6.349 7.311 ( -4.258 3.525 3.124) 6.349 7.516 ( -2.749 -3.781 -1.157) 4.816 7.516 ( 2.749 -3.781 1.157) 4.816 7.982 ( 1.575 2.288 -3.021) 4.104 7.982 ( -1.575 2.288 3.021) 4.104 8.188 ( 1.535 -0.621 -3.019) 3.444 8.188 ( -1.535 -0.621 3.019) 3.444 9.596 ( 1.904 0.872 -3.771) 4.313 9.596 ( -1.904 0.872 3.771) 4.313 9.740 ( -0.350 1.122 -3.442) 3.637 9.740 ( 0.350 1.122 3.442) 3.637 9.916 ( -2.592 0.526 -3.553) 4.429 9.916 ( 2.592 0.526 3.553) 4.429 10.095 ( -2.302 -2.693 -4.680) 5.869 10.095 ( 2.302 -2.693 4.680) 5.869 10.204 ( -1.377 1.631 -1.363) 2.532 10.204 ( 1.377 1.631 1.363) 2.532 10.545 ( -0.012 -11.987 -1.875) 12.133 10.545 ( 0.012 -11.987 1.875) 12.133 12.557 ( -0.424 1.257 -1.081) 1.711 12.557 ( 0.424 1.257 1.081) 1.711 12.652 ( -1.126 0.452 -0.002) 1.213 12.652 ( 1.126 0.452 0.002) 1.213 13.875 ( 0.045 1.057 -1.388) 1.745 13.875 ( -0.045 1.057 1.388) 1.745 14.046 ( -0.118 -4.313 -3.717) 5.695 14.046 ( 0.118 -4.313 3.717) 5.695 14.837 ( -3.206 1.468 -0.872) 3.632 14.837 ( 3.206 1.468 0.872) 3.632 14.923 ( -1.468 0.043 -0.067) 1.470 14.923 ( 1.468 0.043 0.067) 1.470 15.376 ( -1.584 1.263 -0.331) 2.052 15.376 ( 1.584 1.263 0.331) 2.052 15.578 ( -0.937 1.760 -0.218) 2.005 15.578 ( 0.937 1.760 0.218) 2.005 15.859 ( -1.136 -0.602 -0.369) 1.338 15.859 ( 1.136 -0.602 0.369) 1.338 16.037 ( -0.501 0.750 -0.165) 0.917 16.037 ( 0.501 0.750 0.165) 0.917 16.590 ( -0.053 0.836 -0.783) 1.146 16.590 ( 0.053 0.836 0.783) 1.146 16.720 ( -1.822 -2.478 -2.522) 3.978 16.720 ( 1.822 -2.478 2.522) 3.978 17.422 ( -0.898 1.315 -0.213) 1.606 17.422 ( 0.898 1.315 0.213) 1.606 17.504 ( 0.448 -2.180 -0.376) 2.257 17.504 ( -0.448 -2.180 0.376) 2.257 21.547 ( -0.907 0.081 -0.536) 1.057 21.547 ( 0.907 0.081 0.536) 1.057 21.629 ( -1.489 0.921 -0.196) 1.761 21.629 ( 1.489 0.921 0.196) 1.761 27.268 ( -2.475 1.775 -2.122) 3.712 27.268 ( 2.475 1.775 2.122) 3.712 27.299 ( -3.233 0.495 -2.347) 4.026 27.299 ( 3.233 0.495 2.347) 4.026 28.771 ( -0.634 0.445 0.120) 0.784 28.771 ( 0.634 0.445 -0.120) 0.784 28.849 ( -0.603 1.001 -0.052) 1.169 28.849 ( 0.603 1.001 0.052) 1.169 29.867 ( 0.658 -0.874 -0.617) 1.256 29.867 ( -0.658 -0.874 0.617) 1.256 29.958 ( -0.606 -0.945 0.103) 1.127 29.958 ( 0.606 -0.945 -0.103) 1.127 30.909 ( 0.543 3.076 -2.333) 3.899 30.909 ( -0.543 3.076 2.333) 3.899 31.209 ( 1.164 -2.572 -3.558) 4.542 31.209 ( -1.164 -2.572 3.558) 4.542 31.761 ( 1.054 0.969 -1.874) 2.359 31.761 ( -1.054 0.969 1.874) 2.359 31.844 ( 1.682 -0.992 -3.239) 3.782 31.844 ( -1.682 -0.992 3.239) 3.782 32.653 ( -0.431 10.747 -6.014) 12.323 32.653 ( 0.431 10.747 6.014) 12.323 33.286 ( -0.694 -6.755 -7.540) 10.147 33.286 ( 0.694 -6.755 7.540) 10.147 33.416 ( -3.640 4.508 -3.099) 6.571 33.416 ( 3.640 4.508 3.099) 6.571 33.917 ( 1.498 -8.536 -5.963) 10.520 33.917 ( -1.498 -8.536 5.963) 10.520 ======================= Grid point 190 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 -0.000) 0.000 1.808 ( -0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.017 ( -0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 -0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.289 ( -0.000 0.000 0.000) 0.000 2.289 ( -0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.613 ( -0.000 0.000 0.000) 0.000 2.759 ( -0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.919 ( -0.000 -0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.145 ( -0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 -0.000) 0.000 3.278 ( -0.000 0.000 0.000) 0.000 3.320 ( 0.000 -0.000 -0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.753 ( -0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 4.125 ( -0.000 0.000 0.000) 0.000 4.125 ( -0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 -0.000) 0.000 4.199 ( -0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 -0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.401 ( -0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 -0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.380 ( -0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.532 ( -0.000 0.000 0.000) 0.000 5.532 ( -0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.837 ( -0.000 0.000 0.000) 0.000 6.124 ( -0.000 0.000 0.000) 0.000 6.124 ( -0.000 0.000 0.000) 0.000 6.828 ( -0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 6.937 ( -0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.256 ( -0.000 0.000 0.000) 0.000 7.669 ( -0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.826 ( -0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.947 ( -0.000 -0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 10.063 ( -0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.318 ( -0.000 0.000 -0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.435 ( -0.000 0.000 0.000) 0.000 10.435 ( -0.000 0.000 0.000) 0.000 12.496 ( -0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.549 ( 0.000 -0.000 0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 13.961 ( -0.000 0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.144 ( -0.000 0.000 0.000) 0.000 14.660 ( -0.000 0.000 0.000) 0.000 14.660 ( 0.000 0.000 0.000) 0.000 15.109 ( -0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 15.517 ( -0.000 0.000 0.000) 0.000 15.517 ( 0.000 0.000 0.000) 0.000 15.755 ( -0.000 -0.000 0.000) 0.000 15.755 ( -0.000 0.000 0.000) 0.000 15.794 ( 0.000 0.000 0.000) 0.000 15.794 ( 0.000 0.000 -0.000) 0.000 16.057 ( -0.000 0.000 0.000) 0.000 16.057 ( -0.000 0.000 0.000) 0.000 16.437 ( -0.000 0.000 0.000) 0.000 16.437 ( -0.000 0.000 0.000) 0.000 16.587 ( -0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 17.521 ( 0.000 0.000 0.000) 0.000 17.521 ( 0.000 0.000 0.000) 0.000 17.692 ( -0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 21.909 ( 0.000 0.000 0.000) 0.000 21.909 ( 0.000 0.000 0.000) 0.000 27.449 ( -0.000 0.000 0.000) 0.000 27.449 ( -0.000 0.000 0.000) 0.000 27.975 ( 0.000 0.000 0.000) 0.000 27.975 ( 0.000 0.000 0.000) 0.000 28.678 ( -0.000 0.000 0.000) 0.000 28.678 ( 0.000 0.000 0.000) 0.000 29.108 ( 0.000 0.000 0.000) 0.000 29.108 ( 0.000 0.000 0.000) 0.000 29.966 ( 0.000 0.000 0.000) 0.000 29.966 ( -0.000 0.000 0.000) 0.000 30.427 ( -0.000 0.000 0.000) 0.000 30.427 ( 0.000 0.000 0.000) 0.000 30.507 ( -0.000 0.000 0.000) 0.000 30.507 ( -0.000 0.000 0.000) 0.000 30.810 ( -0.000 0.000 0.000) 0.000 30.810 ( 0.000 0.000 0.000) 0.000 31.571 ( -0.000 0.000 0.000) 0.000 31.571 ( 0.000 0.000 0.000) 0.000 31.677 ( -0.000 0.000 0.000) 0.000 31.677 ( 0.000 0.000 0.000) 0.000 32.316 ( -0.000 0.000 0.000) 0.000 32.316 ( 0.000 0.000 0.000) 0.000 32.463 ( -0.000 0.000 -0.000) 0.000 32.463 ( 0.000 0.000 0.000) 0.000 33.885 ( 0.000 0.000 -0.000) 0.000 33.885 ( -0.000 0.000 0.000) 0.000 34.043 ( 0.000 0.000 0.000) 0.000 34.043 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 194 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.967 -7.352 -1.538) 7.573 1.400 ( 0.967 7.352 -1.538) 7.573 1.660 ( 2.876 -9.873 -4.944) 11.410 1.660 ( 2.876 9.873 -4.944) 11.410 1.849 ( 2.920 -2.114 4.346) 5.647 1.849 ( 2.920 2.114 4.346) 5.647 2.102 ( 4.476 -6.625 1.373) 8.112 2.102 ( 4.476 6.625 1.373) 8.112 2.193 ( 2.292 -3.212 -8.095) 9.006 2.193 ( 2.292 3.212 -8.095) 9.006 2.389 ( 8.974 -1.275 1.473) 9.183 2.389 ( 8.974 1.275 1.473) 9.183 2.654 ( 5.225 -9.798 -2.615) 11.408 2.654 ( 5.225 9.798 -2.615) 11.408 2.785 ( 0.561 -6.111 4.760) 7.766 2.785 ( 0.561 6.111 4.760) 7.766 2.954 ( 4.896 -3.164 -2.442) 6.320 2.954 ( 4.896 3.164 -2.442) 6.320 3.168 ( 2.359 -7.612 -2.548) 8.367 3.168 ( 2.359 7.612 -2.548) 8.367 3.286 ( 1.955 -10.571 7.732) 13.242 3.286 ( 1.955 10.571 7.732) 13.242 3.429 ( 8.548 -2.584 1.183) 9.008 3.429 ( 8.548 2.584 1.183) 9.008 3.779 ( 3.113 -2.988 -0.307) 4.326 3.779 ( 3.113 2.988 -0.307) 4.326 4.060 ( -3.878 -6.219 -3.255) 8.019 4.060 ( -3.878 6.219 -3.255) 8.019 4.192 ( -0.950 -6.700 -0.944) 6.832 4.192 ( -0.950 6.700 -0.944) 6.832 4.297 ( -1.129 -1.825 1.789) 2.794 4.297 ( -1.129 1.825 1.789) 2.794 4.412 ( 0.563 -1.311 -0.033) 1.427 4.412 ( 0.563 1.311 -0.033) 1.427 4.567 ( 8.352 -12.829 1.309) 15.364 4.567 ( 8.352 12.829 1.309) 15.364 4.913 ( -2.708 -3.405 0.100) 4.351 4.913 ( -2.708 3.405 0.100) 4.351 5.115 ( 0.976 -2.312 -1.087) 2.735 5.115 ( 0.976 2.312 -1.087) 2.735 5.284 ( -6.214 -1.954 -0.490) 6.532 5.284 ( -6.214 1.954 -0.490) 6.532 5.604 ( 2.361 -4.659 1.533) 5.444 5.604 ( 2.361 4.659 1.533) 5.444 5.806 ( -1.429 -5.090 -0.862) 5.356 5.806 ( -1.429 5.090 -0.862) 5.356 6.126 ( 0.672 -1.112 -1.152) 1.737 6.126 ( 0.672 1.112 -1.152) 1.737 6.753 ( -3.917 -1.975 -0.451) 4.410 6.753 ( -3.917 1.975 -0.451) 4.410 7.010 ( 4.671 -2.947 -1.410) 5.700 7.010 ( 4.671 2.947 -1.410) 5.700 7.284 ( 2.447 -3.437 1.191) 4.384 7.284 ( 2.447 3.437 1.191) 4.384 7.674 ( -1.434 -0.895 3.436) 3.830 7.674 ( -1.434 0.895 3.436) 3.830 8.025 ( 0.013 -4.092 0.414) 4.113 8.025 ( 0.013 4.092 0.414) 4.113 8.207 ( -1.145 -2.246 -1.139) 2.766 8.207 ( -1.145 2.246 -1.139) 2.766 9.570 ( 0.937 -3.525 -2.570) 4.462 9.570 ( 0.937 3.525 -2.570) 4.462 9.819 ( -0.870 -3.878 -0.074) 3.975 9.819 ( -0.870 3.878 -0.074) 3.975 9.923 ( -1.738 -4.031 -0.626) 4.434 9.923 ( -1.738 4.031 -0.626) 4.434 10.092 ( 1.762 -3.867 0.726) 4.311 10.092 ( 1.762 3.867 0.726) 4.311 10.294 ( -1.278 -3.145 -1.156) 3.586 10.294 ( -1.278 3.145 -1.156) 3.586 10.450 ( 0.080 -1.678 2.409) 2.937 10.450 ( 0.080 1.678 2.409) 2.937 12.501 ( 0.617 -2.870 -0.052) 2.936 12.501 ( 0.617 2.870 -0.052) 2.936 12.561 ( 1.220 -2.907 -0.055) 3.153 12.561 ( 1.220 2.907 -0.055) 3.153 13.954 ( -0.948 -1.041 0.506) 1.497 13.954 ( -0.948 1.041 0.506) 1.497 14.111 ( -3.021 -0.954 -0.276) 3.180 14.111 ( -3.021 0.954 -0.276) 3.180 14.666 ( 0.642 -2.701 0.190) 2.783 14.666 ( 0.642 2.701 0.190) 2.783 15.100 ( -0.979 -1.062 0.188) 1.457 15.100 ( -0.979 1.062 0.188) 1.457 15.501 ( -1.394 -0.252 -0.514) 1.507 15.501 ( -1.394 0.252 -0.514) 1.507 15.750 ( -1.457 -1.191 1.514) 2.415 15.750 ( -1.457 1.191 1.514) 2.415 15.788 ( -0.066 -3.522 -0.393) 3.544 15.788 ( -0.066 3.522 -0.393) 3.544 16.068 ( 0.777 -3.455 -0.615) 3.594 16.068 ( 0.777 3.455 -0.615) 3.594 16.450 ( 1.559 -3.179 0.369) 3.560 16.450 ( 1.559 3.179 0.369) 3.560 16.601 ( 1.154 -1.449 0.527) 1.926 16.601 ( 1.154 1.449 0.527) 1.926 17.509 ( -1.261 -0.583 0.341) 1.430 17.509 ( -1.261 0.583 0.341) 1.430 17.676 ( -1.957 -0.371 0.421) 2.035 17.676 ( -1.957 0.371 0.421) 2.035 21.549 ( -0.018 -0.297 -1.267) 1.301 21.549 ( -0.018 0.297 -1.267) 1.301 21.872 ( -3.847 -0.725 0.343) 3.929 21.872 ( -3.847 0.725 0.343) 3.929 27.413 ( -2.396 -0.283 -2.928) 3.794 27.413 ( -2.396 0.283 -2.928) 3.794 27.914 ( -7.820 -1.024 3.441) 8.605 27.914 ( -7.820 1.024 3.441) 8.605 28.684 ( 0.704 -0.070 -0.143) 0.722 28.684 ( 0.704 0.070 -0.143) 0.722 29.078 ( -3.122 -0.491 0.237) 3.169 29.078 ( -3.122 0.491 0.237) 3.169 29.914 ( -3.936 -0.528 -1.388) 4.207 29.914 ( -3.936 0.528 -1.388) 4.207 30.361 ( -5.644 -0.588 -0.043) 5.674 30.361 ( -5.644 0.588 -0.043) 5.674 30.545 ( 3.573 -0.596 0.577) 3.668 30.545 ( 3.573 0.596 0.577) 3.668 30.896 ( 7.728 -1.597 -0.506) 7.907 30.896 ( 7.728 1.597 -0.506) 7.907 31.557 ( 1.006 -2.142 -1.856) 3.008 31.557 ( 1.006 2.142 -1.856) 3.008 31.820 ( 8.794 -1.754 8.088) 12.076 31.820 ( 8.794 1.754 8.088) 12.076 32.270 ( 1.250 -5.328 -7.992) 9.687 32.270 ( 1.250 5.328 -7.992) 9.687 32.586 ( 9.548 -3.326 2.130) 10.332 32.586 ( 9.548 3.326 2.130) 10.332 33.838 ( -4.202 -2.580 -1.268) 5.091 33.838 ( -4.202 2.580 -1.268) 5.091 34.013 ( -3.853 -2.997 1.676) 5.162 34.013 ( -3.853 2.997 1.676) 5.162 ======================= Grid point 196 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.896 -3.065 -1.614) 5.214 1.437 ( 3.896 3.065 -1.614) 5.214 1.698 ( 6.184 -2.075 -1.175) 6.628 1.698 ( 6.184 2.075 -1.175) 6.628 1.939 ( 1.771 -1.855 1.674) 3.063 1.939 ( 1.771 1.855 1.674) 3.063 2.117 ( 6.076 -5.774 -9.154) 12.412 2.117 ( 6.076 5.774 -9.154) 12.412 2.256 ( 1.199 -4.547 5.906) 7.550 2.256 ( 1.199 4.547 5.906) 7.550 2.536 ( 5.118 -0.746 -1.133) 5.295 2.536 ( 5.118 0.746 -1.133) 5.295 2.790 ( 4.506 -1.960 0.623) 4.953 2.790 ( 4.506 1.960 0.623) 4.953 2.834 ( 9.034 -3.076 -3.264) 10.086 2.834 ( 9.034 3.076 -3.264) 10.086 3.027 ( 5.181 -4.634 -2.659) 7.442 3.027 ( 5.181 4.634 -2.659) 7.442 3.245 ( 4.616 -7.220 3.558) 9.279 3.245 ( 4.616 7.220 3.558) 9.279 3.445 ( 7.204 -8.033 5.036) 11.907 3.445 ( 7.204 8.033 5.036) 11.907 3.603 ( 7.496 -1.193 3.042) 8.177 3.603 ( 7.495 1.193 3.042) 8.177 3.833 ( 1.582 -2.898 -1.294) 3.547 3.833 ( 1.582 2.898 -1.294) 3.547 4.008 ( 2.192 -8.392 -1.139) 8.748 4.008 ( 2.192 8.392 -1.139) 8.748 4.178 ( 1.116 -4.336 -0.551) 4.511 4.178 ( 1.116 4.336 -0.551) 4.511 4.299 ( 0.995 -1.597 0.239) 1.896 4.299 ( 0.995 1.597 0.239) 1.896 4.418 ( -1.505 -2.795 2.305) 3.923 4.418 ( -1.505 2.795 2.305) 3.923 4.666 ( 2.293 -14.199 -5.346) 15.345 4.666 ( 2.293 14.199 -5.346) 15.345 4.885 ( 0.316 -6.419 2.587) 6.928 4.885 ( 0.316 6.419 2.587) 6.928 5.103 ( -1.080 -3.490 -1.392) 3.910 5.103 ( -1.080 3.490 -1.392) 3.910 5.225 ( -0.679 -3.819 2.814) 4.792 5.225 ( -0.679 3.819 2.814) 4.792 5.559 ( -5.879 -3.147 -0.040) 6.668 5.559 ( -5.879 3.147 -0.040) 6.668 5.828 ( 3.723 -7.374 -2.269) 8.566 5.828 ( 3.723 7.374 -2.269) 8.566 6.132 ( 0.759 -1.818 -0.458) 2.022 6.132 ( 0.759 1.818 -0.458) 2.022 6.725 ( 1.402 -2.295 -0.623) 2.761 6.725 ( 1.402 2.295 -0.623) 2.761 7.055 ( 1.505 -4.487 -0.888) 4.816 7.055 ( 1.505 4.487 -0.888) 4.816 7.344 ( 2.748 -4.016 0.336) 4.878 7.344 ( 2.748 4.016 0.336) 4.878 7.650 ( -3.915 -2.794 2.806) 5.568 7.650 ( -3.915 2.794 2.806) 5.568 8.035 ( 0.513 -8.146 0.535) 8.179 8.035 ( 0.513 8.146 0.535) 8.179 8.177 ( -1.087 -2.739 -0.329) 2.965 8.177 ( -1.087 2.739 -0.329) 2.965 9.585 ( 2.144 -3.480 -0.547) 4.124 9.585 ( 2.144 3.480 -0.547) 4.124 9.788 ( -2.238 -6.994 -0.283) 7.349 9.788 ( -2.238 6.994 -0.283) 7.349 9.888 ( -1.082 -6.052 -1.166) 6.258 9.888 ( -1.082 6.052 -1.166) 6.258 10.106 ( -0.833 -5.301 0.113) 5.367 10.106 ( -0.833 5.301 0.113) 5.367 10.278 ( 0.485 -2.818 -0.835) 2.979 10.278 ( 0.485 2.818 -0.835) 2.979 10.461 ( -0.718 -1.253 1.407) 2.016 10.461 ( -0.718 1.253 1.407) 2.016 12.519 ( 1.203 -3.303 0.115) 3.517 12.519 ( 1.203 3.303 0.115) 3.517 12.588 ( 1.696 -3.214 -0.046) 3.634 12.588 ( 1.696 3.214 -0.046) 3.634 13.933 ( -1.841 -1.111 0.829) 2.304 13.933 ( -1.841 1.111 0.829) 2.304 14.052 ( -2.412 -2.548 -0.667) 3.571 14.052 ( -2.412 2.548 -0.667) 3.571 14.690 ( 1.768 -4.135 0.457) 4.520 14.690 ( 1.768 4.135 0.457) 4.520 15.076 ( -1.779 -1.736 0.067) 2.486 15.076 ( -1.779 1.736 0.067) 2.486 15.465 ( -2.076 -0.824 -0.012) 2.234 15.465 ( -2.076 0.824 -0.012) 2.234 15.715 ( -3.378 -3.321 0.819) 4.808 15.715 ( -3.378 3.321 0.819) 4.808 15.795 ( 1.093 -4.487 -0.399) 4.636 15.795 ( 1.093 4.487 -0.399) 4.636 16.068 ( -0.096 -2.647 -0.457) 2.687 16.068 ( -0.096 2.647 -0.457) 2.687 16.497 ( 2.727 -1.970 0.533) 3.406 16.497 ( 2.727 1.970 0.533) 3.406 16.632 ( 1.750 -3.101 0.480) 3.593 16.632 ( 1.750 3.101 0.480) 3.593 17.485 ( -1.524 -0.964 0.243) 1.819 17.485 ( -1.524 0.964 0.243) 1.819 17.626 ( -3.564 -0.600 0.083) 3.615 17.626 ( -3.564 0.600 0.083) 3.615 21.538 ( 0.184 -0.683 -1.581) 1.732 21.538 ( 0.184 0.683 -1.581) 1.732 21.791 ( -4.827 -1.326 0.593) 5.041 21.791 ( -4.827 1.326 0.593) 5.041 27.332 ( -3.332 -0.255 -3.025) 4.507 27.332 ( -3.332 0.255 -3.025) 4.507 27.758 ( -11.313 -0.325 3.369) 11.809 27.758 ( -11.313 0.325 3.369) 11.809 28.700 ( 1.186 -0.054 -0.076) 1.190 28.700 ( 1.186 0.054 -0.076) 1.190 29.010 ( -3.959 -0.557 -0.029) 3.999 29.010 ( -3.959 0.557 -0.029) 3.999 29.842 ( -2.182 -0.331 -1.296) 2.559 29.842 ( -2.182 0.331 -1.296) 2.559 30.241 ( -7.067 -0.214 -0.011) 7.070 30.241 ( -7.067 0.214 -0.011) 7.070 30.645 ( 6.443 -1.625 0.753) 6.687 30.645 ( 6.443 1.625 0.753) 6.687 31.034 ( 6.845 -0.264 -0.264) 6.855 31.034 ( 6.845 0.264 -0.264) 6.855 31.588 ( 2.675 -1.732 0.648) 3.252 31.588 ( 2.675 1.732 0.648) 3.252 31.989 ( 2.236 -6.376 1.249) 6.871 31.989 ( 2.236 6.376 1.249) 6.871 32.323 ( 10.147 -7.791 -1.394) 12.868 32.323 ( 10.147 7.791 -1.394) 12.868 32.798 ( 11.894 -4.409 -0.040) 12.685 32.798 ( 11.894 4.409 -0.040) 12.685 33.728 ( -5.871 -3.822 -2.181) 7.337 33.728 ( -5.871 3.822 -2.181) 7.337 33.941 ( -5.189 -5.517 2.299) 7.915 33.941 ( -5.189 5.517 2.299) 7.915 ======================= Grid point 198 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 5.200 -7.798 0.630) 9.394 1.512 ( 5.200 7.798 0.630) 9.394 1.874 ( 9.114 -6.721 0.332) 11.329 1.874 ( 9.114 6.721 0.332) 11.329 1.952 ( 4.150 -3.754 -1.098) 5.703 1.952 ( 4.150 3.754 -1.098) 5.703 2.202 ( 2.664 -8.155 -0.594) 8.599 2.202 ( 2.664 8.155 -0.594) 8.599 2.303 ( 3.857 -3.662 1.293) 5.474 2.303 ( 3.857 3.662 1.293) 5.474 2.586 ( 2.532 -4.180 -3.838) 6.214 2.586 ( 2.532 4.180 -3.838) 6.214 2.819 ( 2.602 -4.952 -1.377) 5.761 2.819 ( 2.602 4.952 -1.377) 5.761 2.998 ( 6.814 -5.692 -3.056) 9.390 2.998 ( 6.814 5.692 -3.056) 9.390 3.128 ( 6.509 -1.596 0.859) 6.757 3.128 ( 6.509 1.596 0.859) 6.757 3.303 ( -3.198 -3.122 6.224) 7.663 3.303 ( -3.198 3.122 6.224) 7.663 3.518 ( -0.683 -3.030 1.263) 3.353 3.518 ( -0.683 3.030 1.263) 3.353 3.748 ( 1.253 -1.809 5.842) 6.243 3.748 ( 1.253 1.809 5.842) 6.243 3.830 ( 1.655 -2.758 -1.857) 3.714 3.830 ( 1.655 2.758 -1.857) 3.714 4.073 ( 3.207 -2.343 -0.809) 4.053 4.073 ( 3.207 2.343 -0.809) 4.053 4.241 ( 3.170 -6.721 -0.509) 7.448 4.241 ( 3.170 6.721 -0.509) 7.448 4.347 ( 3.153 -3.303 -1.666) 4.860 4.347 ( 3.153 3.303 -1.666) 4.860 4.391 ( 0.331 -5.668 2.011) 6.023 4.391 ( 0.331 5.668 2.011) 6.023 4.636 ( 1.826 -5.619 -5.340) 7.964 4.636 ( 1.826 5.619 -5.340) 7.964 4.963 ( 4.674 -5.775 2.530) 7.848 4.963 ( 4.674 5.775 2.530) 7.848 5.077 ( -0.020 -5.234 -1.295) 5.392 5.077 ( -0.020 5.234 -1.295) 5.392 5.271 ( 1.784 -4.083 4.799) 6.549 5.271 ( 1.784 4.083 4.799) 6.549 5.472 ( -1.621 -0.313 -2.463) 2.965 5.472 ( -1.621 0.313 -2.463) 2.965 5.854 ( 0.820 -8.141 -2.707) 8.618 5.854 ( 0.820 8.141 -2.707) 8.618 6.148 ( 0.702 -1.774 0.890) 2.106 6.148 ( 0.702 1.774 0.890) 2.106 6.780 ( 4.515 -1.607 -0.740) 4.849 6.780 ( 4.515 1.607 -0.740) 4.849 7.070 ( 0.588 -3.446 0.638) 3.554 7.070 ( 0.588 3.446 0.638) 3.554 7.374 ( 0.831 -4.720 -1.182) 4.936 7.374 ( 0.831 4.720 -1.182) 4.936 7.582 ( -4.769 -3.403 1.117) 5.965 7.582 ( -4.769 3.403 1.117) 5.965 8.041 ( 0.228 -8.590 -0.923) 8.643 8.041 ( 0.228 8.590 -0.923) 8.643 8.166 ( -0.891 -2.038 1.499) 2.682 8.166 ( -0.891 2.038 1.499) 2.682 9.622 ( 0.758 -1.472 0.835) 1.854 9.622 ( 0.758 1.472 0.835) 1.854 9.754 ( -1.091 -4.833 1.427) 5.156 9.754 ( -1.091 4.833 1.427) 5.156 9.871 ( 0.226 -4.130 -0.568) 4.175 9.871 ( 0.226 4.130 -0.568) 4.175 10.076 ( -1.910 -4.018 -0.176) 4.452 10.076 ( -1.910 4.018 -0.176) 4.452 10.287 ( 0.968 -4.583 -1.266) 4.852 10.287 ( 0.968 4.583 -1.266) 4.852 10.441 ( -1.684 -3.678 -0.904) 4.145 10.441 ( -1.684 3.678 -0.904) 4.145 12.543 ( 1.249 -2.444 0.095) 2.746 12.543 ( 1.249 2.444 0.095) 2.746 12.620 ( 1.600 -2.514 0.176) 2.985 12.620 ( 1.600 2.514 0.176) 2.985 13.907 ( -1.514 -1.533 1.019) 2.383 13.907 ( -1.514 1.533 1.019) 2.383 14.017 ( -0.872 -3.348 -1.072) 3.622 14.017 ( -0.872 3.348 -1.072) 3.622 14.739 ( 3.136 -3.951 0.395) 5.060 14.739 ( 3.136 3.951 0.395) 5.060 15.032 ( -3.120 -2.091 0.107) 3.757 15.032 ( -3.120 2.091 0.107) 3.757 15.430 ( -2.015 -0.893 0.724) 2.320 15.430 ( -2.015 0.893 0.724) 2.320 15.652 ( -2.935 -3.223 -0.760) 4.425 15.652 ( -2.935 3.223 -0.760) 4.425 15.818 ( 1.578 -3.289 -0.296) 3.660 15.818 ( 1.578 3.289 -0.296) 3.660 16.061 ( -0.538 -1.253 0.198) 1.378 16.061 ( -0.538 1.253 0.198) 1.378 16.547 ( 2.181 -1.006 0.679) 2.496 16.547 ( 2.181 1.006 0.679) 2.496 16.667 ( 1.564 -3.948 0.053) 4.247 16.667 ( 1.564 3.948 0.053) 4.247 17.461 ( -1.069 -1.496 -0.081) 1.840 17.461 ( -1.069 1.496 -0.081) 1.840 17.556 ( -3.667 -0.792 -0.274) 3.761 17.556 ( -3.667 0.792 -0.274) 3.761 21.535 ( 0.479 -0.980 -0.880) 1.401 21.535 ( 0.479 0.980 -0.880) 1.401 21.714 ( -3.813 -1.680 0.388) 4.185 21.714 ( -3.813 1.680 0.388) 4.185 27.262 ( -2.293 -0.203 -0.846) 2.452 27.262 ( -2.293 0.203 -0.846) 2.452 27.573 ( -10.189 -0.708 0.964) 10.259 27.573 ( -10.189 0.708 0.964) 10.259 28.726 ( 1.517 -0.205 0.118) 1.536 28.726 ( 1.517 0.205 0.118) 1.536 28.941 ( -3.366 -0.507 -0.117) 3.406 28.941 ( -3.366 0.507 -0.117) 3.406 29.817 ( 0.188 -0.158 -0.650) 0.695 29.817 ( 0.188 0.158 -0.650) 0.695 30.113 ( -6.690 -0.530 0.125) 6.712 30.113 ( -6.690 0.530 0.125) 6.712 30.778 ( 7.032 -1.476 0.537) 7.205 30.778 ( 7.032 1.476 0.537) 7.205 31.130 ( 3.678 -0.600 -0.218) 3.733 31.130 ( 3.678 0.600 -0.218) 3.733 31.660 ( 3.094 -1.814 3.563) 5.055 31.660 ( 3.094 1.814 3.563) 5.055 31.953 ( -1.728 -3.239 -6.438) 7.411 31.953 ( -1.728 3.239 -6.438) 7.411 32.549 ( 10.193 -6.903 5.282) 13.396 32.549 ( 10.193 6.903 5.282) 13.396 32.999 ( 10.120 -5.287 -1.591) 11.529 32.999 ( 10.120 5.287 -1.591) 11.529 33.605 ( -5.172 -4.050 -2.460) 7.015 33.605 ( -5.172 4.050 -2.460) 7.015 33.871 ( -3.890 -6.676 1.825) 7.939 33.871 ( -3.890 6.676 1.825) 7.939 ======================= Grid point 200 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 6.860 -6.148 3.885) 9.998 1.643 ( 6.860 6.148 3.885) 9.998 1.904 ( 0.099 -5.026 -5.148) 7.196 1.904 ( 0.099 5.026 -5.148) 7.196 2.130 ( 5.798 -4.562 1.106) 7.460 2.130 ( 5.798 4.562 1.106) 7.460 2.220 ( 3.031 -2.882 3.154) 5.238 2.220 ( 3.031 2.882 3.154) 5.238 2.403 ( 4.345 -3.471 0.162) 5.564 2.403 ( 4.345 3.471 0.162) 5.564 2.599 ( 3.380 -3.747 -5.112) 7.183 2.599 ( 3.380 3.747 -5.112) 7.183 2.840 ( -0.570 -1.672 0.803) 1.941 2.840 ( -0.570 1.673 0.803) 1.941 3.005 ( -4.111 -7.135 -2.415) 8.582 3.005 ( -4.111 7.135 -2.415) 8.582 3.260 ( 6.664 -1.591 1.278) 6.970 3.260 ( 6.664 1.591 1.278) 6.970 3.313 ( 4.427 -5.475 1.073) 7.122 3.313 ( 4.427 5.475 1.073) 7.122 3.514 ( -2.763 -1.599 5.847) 6.661 3.514 ( -2.763 1.599 5.847) 6.661 3.685 ( -7.309 -0.946 0.971) 7.434 3.685 ( -7.309 0.946 0.971) 7.434 3.860 ( 0.175 -2.051 -1.045) 2.309 3.860 ( 0.175 2.051 -1.045) 2.309 4.024 ( -7.335 -5.092 -0.866) 8.971 4.024 ( -7.335 5.092 -0.866) 8.971 4.261 ( 1.656 -2.707 1.043) 3.340 4.261 ( 1.656 2.707 1.043) 3.340 4.389 ( 2.547 -2.240 -0.710) 3.465 4.389 ( 2.547 2.240 -0.710) 3.465 4.505 ( 6.501 -2.921 2.002) 7.403 4.505 ( 6.501 2.921 2.002) 7.403 4.642 ( 2.419 -1.628 -6.187) 6.839 4.642 ( 2.419 1.628 -6.187) 6.839 5.065 ( 4.076 -4.257 1.118) 5.999 5.065 ( 4.076 4.257 1.118) 5.999 5.094 ( 1.669 -5.364 0.390) 5.631 5.094 ( 1.669 5.364 0.390) 5.631 5.362 ( 4.046 -3.418 4.483) 6.939 5.362 ( 4.046 3.418 4.483) 6.939 5.457 ( 1.838 -5.366 -3.448) 6.638 5.457 ( 1.838 5.366 -3.448) 6.638 5.822 ( -1.850 -6.566 -2.125) 7.145 5.822 ( -1.850 6.566 -2.125) 7.145 6.164 ( 0.035 -0.995 1.159) 1.528 6.164 ( 0.035 0.995 1.159) 1.528 6.854 ( 3.435 -0.990 -0.741) 3.651 6.854 ( 3.435 0.990 -0.741) 3.651 7.096 ( 1.234 -1.947 1.937) 3.011 7.096 ( 1.234 1.947 1.937) 3.011 7.364 ( -0.350 -3.916 -2.009) 4.415 7.364 ( -0.350 3.916 -2.009) 4.415 7.507 ( -3.548 -2.402 0.365) 4.300 7.507 ( -3.548 2.402 0.365) 4.300 8.034 ( 0.003 -5.422 -0.953) 5.506 8.034 ( 0.003 5.422 -0.953) 5.506 8.159 ( -1.033 -1.239 1.150) 1.981 8.159 ( -1.033 1.239 1.150) 1.981 9.615 ( -1.012 -2.038 -0.306) 2.296 9.615 ( -1.012 2.038 -0.306) 2.296 9.761 ( -0.346 -3.033 1.466) 3.387 9.761 ( -0.346 3.033 1.466) 3.387 9.904 ( 2.259 -4.497 2.678) 5.701 9.904 ( 2.259 4.497 2.678) 5.701 10.043 ( -1.205 -3.316 -0.662) 3.590 10.043 ( -1.205 3.316 -0.662) 3.590 10.291 ( 0.566 -5.649 -1.333) 5.831 10.291 ( 0.566 5.649 -1.333) 5.831 10.391 ( -2.100 -5.485 -2.002) 6.206 10.391 ( -2.100 5.486 -2.002) 6.206 12.563 ( 0.814 -1.181 0.019) 1.434 12.563 ( 0.814 1.181 0.019) 1.434 12.645 ( 0.945 -1.431 0.221) 1.729 12.645 ( 0.945 1.431 0.221) 1.729 13.896 ( -0.579 -1.317 0.852) 1.672 13.896 ( -0.579 1.317 0.852) 1.672 13.999 ( -0.231 -2.307 -0.982) 2.518 13.999 ( -0.231 2.307 -0.982) 2.518 14.806 ( 3.888 -2.870 -0.394) 4.848 14.806 ( 3.888 2.870 -0.394) 4.848 14.968 ( -3.975 -1.985 0.795) 4.513 14.968 ( -3.975 1.985 0.795) 4.513 15.404 ( -1.315 -1.367 0.602) 1.990 15.404 ( -1.315 1.367 0.602) 1.990 15.608 ( -1.148 -1.350 -0.850) 1.966 15.608 ( -1.148 1.350 -0.850) 1.966 15.842 ( 1.106 -1.717 -0.171) 2.050 15.842 ( 1.106 1.717 -0.171) 2.050 16.051 ( -0.683 -0.629 0.125) 0.937 16.051 ( -0.683 0.629 0.125) 0.937 16.587 ( 1.455 -0.885 0.827) 1.893 16.587 ( 1.455 0.885 0.827) 1.893 16.685 ( 0.545 -3.089 -0.359) 3.157 16.685 ( 0.545 3.089 -0.359) 3.157 17.447 ( -0.232 -1.670 -0.126) 1.690 17.447 ( -0.232 1.670 -0.126) 1.690 17.496 ( -2.467 -0.994 -0.270) 2.674 17.496 ( -2.467 0.994 -0.270) 2.674 21.541 ( 0.558 -1.002 -0.101) 1.151 21.541 ( 0.558 1.002 -0.101) 1.151 21.660 ( -2.189 -1.420 -0.024) 2.610 21.660 ( -2.189 1.420 -0.024) 2.610 27.245 ( 0.281 -0.333 1.394) 1.460 27.245 ( 0.281 0.333 1.394) 1.460 27.410 ( -7.114 -0.962 -1.343) 7.303 27.410 ( -7.114 0.962 -1.343) 7.303 28.756 ( 1.554 -0.333 0.233) 1.606 28.756 ( 1.554 0.333 0.233) 1.606 28.887 ( -2.426 -0.459 -0.134) 2.473 28.887 ( -2.426 0.459 -0.134) 2.473 29.833 ( 1.679 -0.150 -0.162) 1.694 29.833 ( 1.679 0.150 -0.162) 1.694 30.004 ( -5.015 -0.531 0.062) 5.043 30.004 ( -5.015 0.531 0.062) 5.043 30.896 ( 4.980 -0.697 0.146) 5.031 30.896 ( 4.980 0.697 0.146) 5.031 31.170 ( 1.035 -0.382 -0.002) 1.103 31.170 ( 1.035 0.382 -0.002) 1.103 31.738 ( 1.423 -0.808 4.748) 5.022 31.738 ( 1.423 0.808 4.748) 5.022 31.871 ( -1.105 -0.729 -6.481) 6.615 31.871 ( -1.105 0.729 -6.481) 6.615 32.734 ( 5.433 -5.107 4.373) 8.644 32.734 ( 5.433 5.107 4.373) 8.644 33.128 ( 5.204 -5.011 -2.284) 7.577 33.128 ( 5.204 5.011 -2.284) 7.577 33.518 ( -2.423 -3.987 -1.199) 4.817 33.518 ( -2.423 3.987 -1.199) 4.817 33.828 ( -1.962 -4.937 0.765) 5.367 33.828 ( -1.962 4.937 0.765) 5.367 ======================= Grid point 202 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -0.002 -0.001 -0.002) 0.003 1.804 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 -0.000) 0.000 1.805 ( 0.002 0.001 0.002) 0.003 2.173 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 -0.000) 0.000 2.273 ( 0.000 0.000 -0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.584 ( -0.000 0.000 -0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 -0.000) 0.000 2.856 ( 0.000 -0.000 0.000) 0.000 2.907 ( -0.000 0.000 -0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 -0.000 -0.000) 0.000 3.366 ( 0.000 0.000 -0.000) 0.000 3.390 ( 0.000 -0.000 -0.000) 0.000 3.390 ( -0.000 0.000 0.000) 0.000 3.518 ( -0.000 0.000 -0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.568 ( -0.000 -0.000 -0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 -0.000 -0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 -0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 -0.000) 0.000 4.410 ( 0.000 0.000 -0.000) 0.000 4.596 ( 0.000 0.000 -0.000) 0.000 4.596 ( -0.000 0.000 -0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 -0.000 0.000) 0.000 5.098 ( 0.000 -0.000 -0.000) 0.000 5.098 ( 0.000 0.000 -0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 -0.000) 0.000 5.435 ( 0.000 0.000 -0.000) 0.000 5.435 ( 0.000 0.000 -0.000) 0.000 5.465 ( 0.000 -0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 -0.000) 0.000 5.786 ( 0.000 0.000 -0.000) 0.000 6.168 ( 0.000 0.000 -0.000) 0.000 6.168 ( 0.000 0.000 -0.000) 0.000 6.883 ( 0.000 0.000 -0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 -0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.347 ( -0.000 -0.000 -0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 -0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 -0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 -0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 -0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 -0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 -0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.359 ( -0.000 0.000 -0.000) 0.000 10.359 ( 0.000 0.000 -0.000) 0.000 12.571 ( 0.000 0.000 -0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.655 ( 0.000 0.000 -0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 13.895 ( 0.000 -0.000 -0.000) 0.000 13.895 ( 0.000 0.000 -0.000) 0.000 13.993 ( 0.000 0.000 -0.000) 0.000 13.993 ( 0.000 0.000 0.000) 0.000 14.855 ( -0.000 0.000 -0.000) 0.000 14.855 ( -0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 -0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 15.393 ( 0.000 0.000 -0.000) 0.000 15.393 ( 0.000 0.000 -0.000) 0.000 15.595 ( 0.000 0.000 -0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 -0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.606 ( 0.000 -0.000 -0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.687 ( 0.000 0.000 0.000) 0.000 16.687 ( 0.000 0.000 0.000) 0.000 17.448 ( 0.000 0.000 -0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 17.468 ( 0.000 0.000 0.000) 0.000 17.468 ( 0.000 0.000 -0.000) 0.000 21.548 ( 0.000 0.000 -0.000) 0.000 21.548 ( 0.000 0.000 -0.000) 0.000 21.638 ( 0.000 0.000 -0.000) 0.000 21.638 ( 0.000 0.000 0.000) 0.000 27.288 ( -0.000 0.000 -0.000) 0.000 27.288 ( 0.000 0.000 -0.000) 0.000 27.303 ( 0.000 0.000 0.000) 0.000 27.303 ( 0.000 0.000 0.000) 0.000 28.776 ( 0.000 0.000 -0.000) 0.000 28.776 ( 0.000 0.000 0.000) 0.000 28.860 ( 0.000 0.000 -0.000) 0.000 28.860 ( 0.000 0.000 0.000) 0.000 29.858 ( 0.000 0.000 0.000) 0.000 29.858 ( 0.000 0.000 -0.000) 0.000 29.948 ( 0.000 0.000 -0.000) 0.000 29.948 ( 0.000 0.000 0.000) 0.000 30.945 ( 0.000 0.000 -0.000) 0.000 30.945 ( 0.000 0.000 0.000) 0.000 31.178 ( 0.000 0.000 -0.000) 0.000 31.178 ( 0.000 0.000 0.000) 0.000 31.771 ( 0.000 0.000 -0.000) 0.000 31.771 ( 0.000 0.000 0.000) 0.000 31.833 ( 0.000 0.000 -0.000) 0.000 31.833 ( 0.000 0.000 0.000) 0.000 32.803 ( 0.000 0.000 -0.000) 0.000 32.803 ( 0.000 0.000 0.000) 0.000 33.162 ( 0.000 0.000 0.000) 0.000 33.162 ( 0.000 0.000 0.000) 0.000 33.494 ( 0.000 0.000 -0.000) 0.000 33.494 ( 0.000 0.000 -0.000) 0.000 33.812 ( 0.000 0.000 0.000) 0.000 33.812 ( 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 3/31680 10.0 177.367 175.316 235.810 0.000 42.876 0.000 3/31680 20.0 33.002 26.690 36.731 0.000 5.259 0.000 3/31680 30.0 14.982 10.947 15.340 0.000 1.975 0.000 3/31680 40.0 9.145 6.440 8.966 0.000 1.027 0.000 3/31680 50.0 6.459 4.492 6.172 0.000 0.640 0.000 3/31680 60.0 4.961 3.441 4.668 0.000 0.446 0.000 3/31680 70.0 4.018 2.792 3.746 0.000 0.336 0.000 3/31680 80.0 3.375 2.354 3.129 0.000 0.267 0.000 3/31680 90.0 2.910 2.039 2.689 0.000 0.220 0.000 3/31680 100.0 2.560 1.803 2.360 0.000 0.187 0.000 3/31680 110.0 2.286 1.618 2.105 0.000 0.162 0.000 3/31680 120.0 2.066 1.470 1.902 0.000 0.144 0.000 3/31680 130.0 1.887 1.349 1.735 0.000 0.129 0.000 3/31680 140.0 1.737 1.248 1.597 0.000 0.117 0.000 3/31680 150.0 1.610 1.162 1.480 0.000 0.107 0.000 3/31680 160.0 1.502 1.088 1.379 0.000 0.099 0.000 3/31680 170.0 1.408 1.024 1.292 0.000 0.092 0.000 3/31680 180.0 1.326 0.967 1.216 0.000 0.086 0.000 3/31680 190.0 1.254 0.917 1.149 0.000 0.081 0.000 3/31680 200.0 1.191 0.873 1.089 0.000 0.076 0.000 3/31680 210.0 1.134 0.832 1.035 0.000 0.072 0.000 3/31680 220.0 1.083 0.796 0.987 0.000 0.069 0.000 3/31680 230.0 1.037 0.763 0.943 0.000 0.065 0.000 3/31680 240.0 0.995 0.733 0.904 0.000 0.063 0.000 3/31680 250.0 0.957 0.706 0.867 0.000 0.060 0.000 3/31680 260.0 0.922 0.681 0.834 0.000 0.058 0.000 3/31680 270.0 0.890 0.657 0.804 0.000 0.056 0.000 3/31680 280.0 0.861 0.636 0.775 0.000 0.054 0.000 3/31680 290.0 0.833 0.616 0.749 0.000 0.052 0.000 3/31680 300.0 0.808 0.597 0.725 0.000 0.050 0.000 3/31680 310.0 0.785 0.580 0.702 0.000 0.049 0.000 3/31680 320.0 0.763 0.564 0.681 0.000 0.047 0.000 3/31680 330.0 0.742 0.548 0.661 0.000 0.046 0.000 3/31680 340.0 0.723 0.534 0.642 0.000 0.045 0.000 3/31680 350.0 0.705 0.520 0.625 0.000 0.044 0.000 3/31680 360.0 0.688 0.508 0.608 0.000 0.042 0.000 3/31680 370.0 0.671 0.496 0.593 0.000 0.041 0.000 3/31680 380.0 0.656 0.484 0.578 0.000 0.040 0.000 3/31680 390.0 0.641 0.473 0.564 0.000 0.040 0.000 3/31680 400.0 0.627 0.463 0.550 0.000 0.039 0.000 3/31680 410.0 0.614 0.453 0.538 0.000 0.038 0.000 3/31680 420.0 0.602 0.443 0.526 0.000 0.037 0.000 3/31680 430.0 0.589 0.434 0.514 0.000 0.036 0.000 3/31680 440.0 0.578 0.426 0.503 0.000 0.036 0.000 3/31680 450.0 0.567 0.417 0.493 0.000 0.035 0.000 3/31680 460.0 0.556 0.409 0.483 0.000 0.034 0.000 3/31680 470.0 0.546 0.402 0.473 0.000 0.034 0.000 3/31680 480.0 0.536 0.394 0.464 0.000 0.033 0.000 3/31680 490.0 0.527 0.387 0.455 0.000 0.032 0.000 3/31680 500.0 0.517 0.380 0.446 0.000 0.032 0.000 3/31680 510.0 0.509 0.374 0.438 0.000 0.031 0.000 3/31680 520.0 0.500 0.367 0.430 0.000 0.031 0.000 3/31680 530.0 0.492 0.361 0.422 0.000 0.030 0.000 3/31680 540.0 0.484 0.355 0.415 0.000 0.030 0.000 3/31680 550.0 0.476 0.350 0.408 0.000 0.029 0.000 3/31680 560.0 0.469 0.344 0.401 0.000 0.029 0.000 3/31680 570.0 0.462 0.339 0.394 0.000 0.029 0.000 3/31680 580.0 0.455 0.334 0.388 0.000 0.028 0.000 3/31680 590.0 0.448 0.328 0.382 0.000 0.028 0.000 3/31680 600.0 0.441 0.324 0.376 0.000 0.027 0.000 3/31680 610.0 0.435 0.319 0.370 0.000 0.027 0.000 3/31680 620.0 0.429 0.314 0.364 0.000 0.026 0.000 3/31680 630.0 0.423 0.310 0.359 0.000 0.026 0.000 3/31680 640.0 0.417 0.305 0.354 0.000 0.026 0.000 3/31680 650.0 0.411 0.301 0.348 0.000 0.025 0.000 3/31680 660.0 0.406 0.297 0.343 0.000 0.025 0.000 3/31680 670.0 0.400 0.293 0.339 0.000 0.025 0.000 3/31680 680.0 0.395 0.289 0.334 0.000 0.024 0.000 3/31680 690.0 0.390 0.285 0.329 0.000 0.024 0.000 3/31680 700.0 0.385 0.282 0.325 0.000 0.024 0.000 3/31680 710.0 0.380 0.278 0.320 0.000 0.024 0.000 3/31680 720.0 0.375 0.274 0.316 0.000 0.023 0.000 3/31680 730.0 0.371 0.271 0.312 0.000 0.023 0.000 3/31680 740.0 0.366 0.268 0.308 0.000 0.023 0.000 3/31680 750.0 0.362 0.264 0.304 0.000 0.022 0.000 3/31680 760.0 0.357 0.261 0.300 0.000 0.022 0.000 3/31680 770.0 0.353 0.258 0.297 0.000 0.022 0.000 3/31680 780.0 0.349 0.255 0.293 0.000 0.022 0.000 3/31680 790.0 0.345 0.252 0.289 0.000 0.021 0.000 3/31680 800.0 0.341 0.249 0.286 0.000 0.021 0.000 3/31680 810.0 0.337 0.246 0.283 0.000 0.021 0.000 3/31680 820.0 0.333 0.244 0.279 0.000 0.021 0.000 3/31680 830.0 0.330 0.241 0.276 0.000 0.020 0.000 3/31680 840.0 0.326 0.238 0.273 0.000 0.020 0.000 3/31680 850.0 0.323 0.236 0.270 0.000 0.020 0.000 3/31680 860.0 0.319 0.233 0.267 0.000 0.020 0.000 3/31680 870.0 0.316 0.231 0.264 0.000 0.020 0.000 3/31680 880.0 0.312 0.228 0.261 0.000 0.019 0.000 3/31680 890.0 0.309 0.226 0.258 0.000 0.019 0.000 3/31680 900.0 0.306 0.223 0.255 0.000 0.019 0.000 3/31680 910.0 0.303 0.221 0.253 0.000 0.019 0.000 3/31680 920.0 0.300 0.219 0.250 0.000 0.019 0.000 3/31680 930.0 0.297 0.217 0.247 0.000 0.018 0.000 3/31680 940.0 0.294 0.214 0.245 0.000 0.018 0.000 3/31680 950.0 0.291 0.212 0.242 0.000 0.018 0.000 3/31680 960.0 0.288 0.210 0.240 0.000 0.018 0.000 3/31680 970.0 0.285 0.208 0.238 0.000 0.018 0.000 3/31680 980.0 0.283 0.206 0.235 0.000 0.018 0.000 3/31680 990.0 0.280 0.204 0.233 0.000 0.017 0.000 3/31680 1000.0 0.277 0.202 0.231 0.000 0.017 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:07:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|