----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:48:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.844091551885333 -4.700262514999999 0.000000000000000 b 6.844091551885333 4.700262514999999 0.000000000000000 c -1.466220880309598 0.000000000000000 5.600694886302822 Atomic positions (fractional): *1 Ba 0.31060730500680 0.68939269499320 0.25000000000000 137.327 2 Ba 0.68939269499320 0.31060730500680 0.75000000000000 137.327 *3 Ga 0.81566011076848 0.94322667799155 0.22272566752193 69.723 4 Ga 0.94322667799155 0.81566011076848 0.72272566752193 69.723 *5 Ga 0.76108578467145 0.58637870067693 0.29476240378949 69.723 6 Ga 0.58637870067693 0.76108578467145 0.79476240378950 69.723 7 Ga 0.41362129932307 0.23891421532855 0.20523759621050 69.723 8 Ga 0.23891421532855 0.41362129932307 0.70523759621050 69.723 9 Ga 0.05677332200845 0.18433988923152 0.27727433247807 69.723 10 Ga 0.18433988923152 0.05677332200845 0.77727433247807 69.723 *11 O 0.87516176357275 0.75327036280473 0.39275410723608 15.999 12 O 0.75327036280473 0.87516176357275 0.89275410723608 15.999 *13 O 0.58457754639922 0.65824669133090 0.04536737883588 15.999 *14 O 0.88500946932820 0.36826076191624 0.16628473160307 15.999 15 O 0.65824669133090 0.58457754639922 0.54536737883588 15.999 16 O 0.36826076191624 0.88500946932820 0.66628473160307 15.999 *17 O 0.02490656767400 0.97509343232600 0.25000000000000 15.999 18 O 0.97509343232600 0.02490656767400 0.75000000000000 15.999 19 O 0.63173923808376 0.11499053067180 0.33371526839693 15.999 20 O 0.34175330866910 0.41542245360078 0.45463262116412 15.999 21 O 0.11499053067180 0.63173923808376 0.83371526839693 15.999 22 O 0.41542245360078 0.34175330866910 0.95463262116412 15.999 23 O 0.24672963719526 0.12483823642724 0.10724589276392 15.999 24 O 0.12483823642724 0.24672963719527 0.60724589276392 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.688183103770665 0.000000000000000 0.000000000000000 b 0.000000000000000 9.400525029999999 0.000000000000000 c -1.466220880309598 0.000000000000000 5.600694886302822 Atomic positions (fractional): *1 Ba 0.50000000000000 0.18939269499320 0.25000000000000 137.327 > 1 2 Ba 0.50000000000000 0.81060730500680 0.75000000000000 137.327 > 2 3 Ba 0.00000000000000 0.68939269499320 0.25000000000000 137.327 > 1 4 Ba 0.00000000000000 0.31060730500680 0.75000000000000 137.327 > 2 *5 Ga 0.87944339438002 0.06378328361153 0.22272566752193 69.723 > 3 6 Ga 0.87944339438002 0.93621671638847 0.72272566752193 69.723 > 4 *7 Ga 0.67373224267419 0.91264645800274 0.29476240378949 69.723 > 5 8 Ga 0.67373224267419 0.08735354199726 0.79476240378950 69.723 > 6 9 Ga 0.32626775732581 0.91264645800274 0.20523759621050 69.723 > 7 10 Ga 0.32626775732581 0.08735354199726 0.70523759621050 69.723 > 8 11 Ga 0.12055660561998 0.06378328361153 0.27727433247807 69.723 > 9 12 Ga 0.12055660561998 0.93621671638847 0.77727433247807 69.723 > 10 13 Ga 0.37944339438002 0.56378328361153 0.22272566752193 69.723 > 3 14 Ga 0.37944339438002 0.43621671638846 0.72272566752193 69.723 > 4 15 Ga 0.17373224267419 0.41264645800274 0.29476240378949 69.723 > 5 16 Ga 0.17373224267419 0.58735354199726 0.79476240378950 69.723 > 6 17 Ga 0.82626775732581 0.41264645800274 0.20523759621050 69.723 > 7 18 Ga 0.82626775732581 0.58735354199726 0.70523759621050 69.723 > 8 19 Ga 0.62055660561998 0.56378328361153 0.27727433247807 69.723 > 9 20 Ga 0.62055660561998 0.43621671638846 0.77727433247807 69.723 > 10 *21 O 0.81421606318874 0.93905429961599 0.39275410723608 15.999 > 11 22 O 0.81421606318874 0.06094570038401 0.89275410723608 15.999 > 12 *23 O 0.62141211886506 0.03683457246584 0.04536737883588 15.999 > 13 *24 O 0.62663511562222 0.74162564629402 0.16628473160307 15.999 > 14 25 O 0.62141211886506 0.96316542753416 0.54536737883588 15.999 > 15 26 O 0.62663511562222 0.25837435370598 0.66628473160307 15.999 > 16 *27 O 0.50000000000000 0.47509343232600 0.25000000000000 15.999 > 17 28 O 0.50000000000000 0.52490656767400 0.75000000000000 15.999 > 18 29 O 0.37336488437778 0.74162564629402 0.33371526839693 15.999 > 19 30 O 0.37858788113494 0.03683457246584 0.45463262116412 15.999 > 20 31 O 0.37336488437778 0.25837435370598 0.83371526839693 15.999 > 21 32 O 0.37858788113494 0.96316542753416 0.95463262116412 15.999 > 22 33 O 0.18578393681125 0.93905429961599 0.10724589276392 15.999 > 23 34 O 0.18578393681125 0.06094570038401 0.60724589276392 15.999 > 24 35 O 0.31421606318875 0.43905429961599 0.39275410723608 15.999 > 11 36 O 0.31421606318875 0.56094570038401 0.89275410723608 15.999 > 12 37 O 0.12141211886506 0.53683457246584 0.04536737883588 15.999 > 13 38 O 0.12663511562222 0.24162564629402 0.16628473160307 15.999 > 14 39 O 0.12141211886506 0.46316542753416 0.54536737883588 15.999 > 15 40 O 0.12663511562222 0.75837435370598 0.66628473160307 15.999 > 16 41 O 0.00000000000000 0.97509343232600 0.25000000000000 15.999 > 17 42 O 0.00000000000000 0.02490656767400 0.75000000000000 15.999 > 18 43 O 0.87336488437778 0.24162564629402 0.33371526839693 15.999 > 19 44 O 0.87858788113494 0.53683457246584 0.45463262116412 15.999 > 20 45 O 0.87336488437778 0.75837435370598 0.83371526839693 15.999 > 21 46 O 0.87858788113494 0.46316542753416 0.95463262116412 15.999 > 22 47 O 0.68578393681126 0.43905429961599 0.10724589276392 15.999 > 23 48 O 0.68578393681126 0.56094570038401 0.60724589276392 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.688183103770665 0.000000000000000 0.000000000000000 b 0.000000000000000 9.400525029999999 0.000000000000000 c -2.932441760619196 0.000000000000000 11.201389772605644 Atomic positions (fractional): *1 Ba 0.50000000000000 0.18939269499320 0.12500000000000 137.327 > 1 2 Ba 0.50000000000000 0.18939269499320 0.62500000000000 137.327 > 1 3 Ba 0.50000000000000 0.81060730500680 0.37500000000000 137.327 > 2 4 Ba 0.50000000000000 0.81060730500680 0.87500000000000 137.327 > 2 5 Ba 0.00000000000000 0.68939269499320 0.12500000000000 137.327 > 1 6 Ba 0.00000000000000 0.68939269499320 0.62500000000000 137.327 > 1 7 Ba 0.00000000000000 0.31060730500680 0.37500000000000 137.327 > 2 8 Ba 0.00000000000000 0.31060730500680 0.87500000000000 137.327 > 2 *9 Ga 0.87944339438002 0.06378328361153 0.11136283376096 69.723 > 3 10 Ga 0.87944339438002 0.06378328361153 0.61136283376096 69.723 > 3 11 Ga 0.87944339438002 0.93621671638847 0.36136283376096 69.723 > 4 12 Ga 0.87944339438002 0.93621671638847 0.86136283376096 69.723 > 4 *13 Ga 0.67373224267419 0.91264645800274 0.14738120189475 69.723 > 5 14 Ga 0.67373224267419 0.91264645800274 0.64738120189475 69.723 > 5 15 Ga 0.67373224267419 0.08735354199726 0.39738120189475 69.723 > 6 16 Ga 0.67373224267419 0.08735354199726 0.89738120189475 69.723 > 6 17 Ga 0.32626775732581 0.91264645800274 0.10261879810525 69.723 > 7 18 Ga 0.32626775732581 0.91264645800274 0.60261879810525 69.723 > 7 19 Ga 0.32626775732581 0.08735354199726 0.35261879810525 69.723 > 8 20 Ga 0.32626775732581 0.08735354199726 0.85261879810525 69.723 > 8 21 Ga 0.12055660561998 0.06378328361153 0.13863716623904 69.723 > 9 22 Ga 0.12055660561998 0.06378328361153 0.63863716623904 69.723 > 9 23 Ga 0.12055660561998 0.93621671638847 0.38863716623904 69.723 > 10 24 Ga 0.12055660561998 0.93621671638847 0.88863716623904 69.723 > 10 25 Ga 0.37944339438002 0.56378328361153 0.11136283376096 69.723 > 3 26 Ga 0.37944339438002 0.56378328361153 0.61136283376096 69.723 > 3 27 Ga 0.37944339438002 0.43621671638846 0.36136283376096 69.723 > 4 28 Ga 0.37944339438002 0.43621671638846 0.86136283376096 69.723 > 4 29 Ga 0.17373224267419 0.41264645800274 0.14738120189475 69.723 > 5 30 Ga 0.17373224267419 0.41264645800274 0.64738120189475 69.723 > 5 31 Ga 0.17373224267419 0.58735354199726 0.39738120189475 69.723 > 6 32 Ga 0.17373224267419 0.58735354199726 0.89738120189475 69.723 > 6 33 Ga 0.82626775732581 0.41264645800274 0.10261879810525 69.723 > 7 34 Ga 0.82626775732581 0.41264645800274 0.60261879810525 69.723 > 7 35 Ga 0.82626775732581 0.58735354199726 0.35261879810525 69.723 > 8 36 Ga 0.82626775732581 0.58735354199726 0.85261879810525 69.723 > 8 37 Ga 0.62055660561998 0.56378328361153 0.13863716623904 69.723 > 9 38 Ga 0.62055660561998 0.56378328361153 0.63863716623904 69.723 > 9 39 Ga 0.62055660561998 0.43621671638846 0.38863716623904 69.723 > 10 40 Ga 0.62055660561998 0.43621671638846 0.88863716623904 69.723 > 10 *41 O 0.81421606318874 0.93905429961599 0.19637705361804 15.999 > 11 42 O 0.81421606318874 0.93905429961599 0.69637705361804 15.999 > 11 43 O 0.81421606318874 0.06094570038401 0.44637705361804 15.999 > 12 44 O 0.81421606318874 0.06094570038401 0.94637705361804 15.999 > 12 *45 O 0.62141211886506 0.03683457246584 0.02268368941794 15.999 > 13 46 O 0.62141211886506 0.03683457246584 0.52268368941794 15.999 > 13 *47 O 0.62663511562222 0.74162564629402 0.08314236580153 15.999 > 14 48 O 0.62663511562222 0.74162564629402 0.58314236580153 15.999 > 14 49 O 0.62141211886506 0.96316542753416 0.27268368941794 15.999 > 15 50 O 0.62141211886506 0.96316542753416 0.77268368941794 15.999 > 15 51 O 0.62663511562222 0.25837435370598 0.33314236580153 15.999 > 16 52 O 0.62663511562222 0.25837435370598 0.83314236580153 15.999 > 16 *53 O 0.50000000000000 0.47509343232600 0.12500000000000 15.999 > 17 54 O 0.50000000000000 0.47509343232600 0.62500000000000 15.999 > 17 55 O 0.50000000000000 0.52490656767400 0.37500000000000 15.999 > 18 56 O 0.50000000000000 0.52490656767400 0.87500000000000 15.999 > 18 57 O 0.37336488437778 0.74162564629402 0.16685763419847 15.999 > 19 58 O 0.37336488437778 0.74162564629402 0.66685763419847 15.999 > 19 59 O 0.37858788113494 0.03683457246584 0.22731631058206 15.999 > 20 60 O 0.37858788113494 0.03683457246584 0.72731631058206 15.999 > 20 61 O 0.37336488437778 0.25837435370598 0.41685763419847 15.999 > 21 62 O 0.37336488437778 0.25837435370598 0.91685763419847 15.999 > 21 63 O 0.37858788113494 0.96316542753416 0.47731631058206 15.999 > 22 64 O 0.37858788113494 0.96316542753416 0.97731631058206 15.999 > 22 65 O 0.18578393681125 0.93905429961599 0.05362294638196 15.999 > 23 66 O 0.18578393681125 0.93905429961599 0.55362294638196 15.999 > 23 67 O 0.18578393681125 0.06094570038401 0.30362294638196 15.999 > 24 68 O 0.18578393681125 0.06094570038401 0.80362294638196 15.999 > 24 69 O 0.31421606318875 0.43905429961599 0.19637705361804 15.999 > 11 70 O 0.31421606318875 0.43905429961599 0.69637705361804 15.999 > 11 71 O 0.31421606318875 0.56094570038401 0.44637705361804 15.999 > 12 72 O 0.31421606318875 0.56094570038401 0.94637705361804 15.999 > 12 73 O 0.12141211886506 0.53683457246584 0.02268368941794 15.999 > 13 74 O 0.12141211886506 0.53683457246584 0.52268368941794 15.999 > 13 75 O 0.12663511562222 0.24162564629402 0.08314236580153 15.999 > 14 76 O 0.12663511562222 0.24162564629402 0.58314236580153 15.999 > 14 77 O 0.12141211886506 0.46316542753416 0.27268368941794 15.999 > 15 78 O 0.12141211886506 0.46316542753416 0.77268368941794 15.999 > 15 79 O 0.12663511562222 0.75837435370598 0.33314236580153 15.999 > 16 80 O 0.12663511562222 0.75837435370598 0.83314236580153 15.999 > 16 81 O 0.00000000000000 0.97509343232600 0.12500000000000 15.999 > 17 82 O 0.00000000000000 0.97509343232600 0.62500000000000 15.999 > 17 83 O 0.00000000000000 0.02490656767400 0.37500000000000 15.999 > 18 84 O 0.00000000000000 0.02490656767400 0.87500000000000 15.999 > 18 85 O 0.87336488437778 0.24162564629402 0.16685763419847 15.999 > 19 86 O 0.87336488437778 0.24162564629402 0.66685763419847 15.999 > 19 87 O 0.87858788113494 0.53683457246584 0.22731631058206 15.999 > 20 88 O 0.87858788113494 0.53683457246584 0.72731631058206 15.999 > 20 89 O 0.87336488437778 0.75837435370598 0.41685763419847 15.999 > 21 90 O 0.87336488437778 0.75837435370598 0.91685763419847 15.999 > 21 91 O 0.87858788113494 0.46316542753416 0.47731631058206 15.999 > 22 92 O 0.87858788113494 0.46316542753416 0.97731631058206 15.999 > 22 93 O 0.68578393681126 0.43905429961599 0.05362294638196 15.999 > 23 94 O 0.68578393681126 0.43905429961599 0.55362294638196 15.999 > 23 95 O 0.68578393681126 0.56094570038401 0.30362294638196 15.999 > 24 96 O 0.68578393681126 0.56094570038401 0.80362294638196 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3231109 0.0000000 0.0594339 0.0000000 3.3826762 0.0000000 0.0594522 0.0000000 3.4618076 -------------------------- Born effective charges -------------------------- 1 Ba 2.4085201 0.0000000 0.1350922 0.0000000 2.7051022 -0.0000000 0.1887651 -0.0000000 2.7671580 2 Ba 2.4085201 0.0000000 0.1350922 0.0000000 2.7051022 -0.0000000 0.1887651 -0.0000000 2.7671580 3 Ga 2.7510603 -0.1166619 -0.0099611 -0.0120833 2.7242967 0.1821100 -0.0498709 -0.2005393 2.8401656 4 Ga 2.7510603 0.1166619 -0.0099611 0.0120833 2.7242967 -0.1821100 -0.0498709 0.2005393 2.8401656 5 Ga 2.6518846 0.2481581 0.0864808 0.1206893 2.6995381 0.3136719 0.1025846 -0.0064486 2.8151154 6 Ga 2.6518846 -0.2481581 0.0864808 -0.1206893 2.6995381 -0.3136719 0.1025846 0.0064486 2.8151154 7 Ga 2.6518846 -0.2481581 0.0864808 -0.1206893 2.6995381 -0.3136719 0.1025846 0.0064486 2.8151154 8 Ga 2.6518846 0.2481581 0.0864808 0.1206893 2.6995381 0.3136719 0.1025846 -0.0064486 2.8151154 9 Ga 2.7510603 0.1166619 -0.0099611 0.0120833 2.7242967 -0.1821100 -0.0498709 0.2005393 2.8401656 10 Ga 2.7510603 -0.1166619 -0.0099611 -0.0120833 2.7242967 0.1821100 -0.0498709 -0.2005393 2.8401656 11 O -2.2992781 -0.4251825 -0.1560581 -0.3611043 -1.4295935 0.3182416 -0.1283782 0.2377582 -2.1960256 12 O -2.2992781 0.4251825 -0.1560581 0.3611043 -1.4295935 -0.3182416 -0.1283782 -0.2377582 -2.1960256 13 O -1.7956228 0.0195297 0.3360972 0.0347582 -1.7454184 0.3215281 0.3004212 0.3561419 -2.3453021 14 O -1.2853831 -0.2493981 -0.2406889 -0.2785604 -2.6842987 0.0340468 -0.2507161 0.0405667 -1.7533046 15 O -1.7956228 -0.0195297 0.3360972 -0.0347582 -1.7454184 -0.3215281 0.3004212 -0.3561419 -2.3453021 16 O -1.2853831 0.2493981 -0.2406889 0.2785604 -2.6842987 -0.0340468 -0.2507161 -0.0405667 -1.7533046 17 O -2.4538417 0.0000000 -0.1668318 0.0000000 -1.8341507 -0.0000000 -0.1368462 -0.0000000 -1.4884555 18 O -2.4538417 0.0000000 -0.1668318 0.0000000 -1.8341507 -0.0000000 -0.1368462 -0.0000000 -1.4884555 19 O -1.2853831 0.2493981 -0.2406889 0.2785604 -2.6842987 -0.0340468 -0.2507161 -0.0405667 -1.7533046 20 O -1.7956228 -0.0195297 0.3360972 -0.0347582 -1.7454184 -0.3215281 0.3004212 -0.3561419 -2.3453021 21 O -1.2853831 -0.2493981 -0.2406889 -0.2785604 -2.6842987 0.0340468 -0.2507161 0.0405667 -1.7533046 22 O -1.7956228 0.0195297 0.3360972 0.0347582 -1.7454184 0.3215281 0.3004212 0.3561419 -2.3453021 23 O -2.2992781 0.4251825 -0.1560581 0.3611043 -1.4295935 -0.3182416 -0.1283782 -0.2377582 -2.1960256 24 O -2.2992781 -0.4251825 -0.1560581 -0.3611043 -1.4295935 0.3182416 -0.1283782 0.2377582 -2.1960256 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12816/12816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 16), data: (584, 29) @ (29, 16) |-- (84, 79), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.751 Solver_block: 200 / 720 - Time: 0.658 Solver_block: 300 / 720 - Time: 0.660 Solver_block: 400 / 720 - Time: 0.645 Solver_block: 500 / 720 - Time: 0.652 Solver_block: 600 / 720 - Time: 0.655 Solver_block: 700 / 720 - Time: 0.655 Solver_block: 720 / 720 - Time: 0.239 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.024 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12816/12816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 16), data: (584, 29) @ (29, 16) |-- (84, 79), data: True |-- (250, 239), data: True |-- (250, 237), 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 2026-01-09 01:48:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:48:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.844091551885333 -4.700262514999999 0.000000000000000 b 6.844091551885333 4.700262514999999 0.000000000000000 c -1.466220880309598 0.000000000000000 5.600694886302822 Atomic positions (fractional): 1 Ba 0.31060730500680 0.68939269499320 0.25000000000000 137.327 2 Ba 0.68939269499320 0.31060730500680 0.75000000000000 137.327 3 Ga 0.81566011076848 0.94322667799155 0.22272566752193 69.723 4 Ga 0.94322667799155 0.81566011076848 0.72272566752193 69.723 5 Ga 0.76108578467145 0.58637870067693 0.29476240378949 69.723 6 Ga 0.58637870067693 0.76108578467145 0.79476240378950 69.723 7 Ga 0.41362129932307 0.23891421532855 0.20523759621050 69.723 8 Ga 0.23891421532855 0.41362129932307 0.70523759621050 69.723 9 Ga 0.05677332200845 0.18433988923152 0.27727433247807 69.723 10 Ga 0.18433988923152 0.05677332200845 0.77727433247807 69.723 11 O 0.87516176357275 0.75327036280473 0.39275410723608 15.999 12 O 0.75327036280473 0.87516176357275 0.89275410723608 15.999 13 O 0.58457754639922 0.65824669133090 0.04536737883588 15.999 14 O 0.88500946932820 0.36826076191624 0.16628473160307 15.999 15 O 0.65824669133090 0.58457754639922 0.54536737883588 15.999 16 O 0.36826076191624 0.88500946932820 0.66628473160307 15.999 17 O 0.02490656767400 0.97509343232600 0.25000000000000 15.999 18 O 0.97509343232600 0.02490656767400 0.75000000000000 15.999 19 O 0.63173923808376 0.11499053067180 0.33371526839693 15.999 20 O 0.34175330866910 0.41542245360078 0.45463262116412 15.999 21 O 0.11499053067180 0.63173923808376 0.83371526839693 15.999 22 O 0.41542245360078 0.34175330866910 0.95463262116412 15.999 23 O 0.24672963719526 0.12483823642724 0.10724589276392 15.999 24 O 0.12483823642724 0.24672963719527 0.60724589276392 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.688183103770665 0.000000000000000 0.000000000000000 b 0.000000000000000 9.400525029999999 0.000000000000000 c -2.932441760619196 0.000000000000000 11.201389772605644 Atomic positions (fractional): 1 Ba 0.50000000000000 0.18939269499320 0.12500000000000 137.327 > 1 2 Ba 0.50000000000000 0.18939269499320 0.62500000000000 137.327 > 1 3 Ba 0.50000000000000 0.81060730500680 0.37500000000000 137.327 > 3 4 Ba 0.50000000000000 0.81060730500680 0.87500000000000 137.327 > 3 5 Ba 0.00000000000000 0.68939269499320 0.12500000000000 137.327 > 1 6 Ba 0.00000000000000 0.68939269499320 0.62500000000000 137.327 > 1 7 Ba 0.00000000000000 0.31060730500680 0.37500000000000 137.327 > 3 8 Ba 0.00000000000000 0.31060730500680 0.87500000000000 137.327 > 3 9 Ga 0.87944339438002 0.06378328361153 0.11136283376096 69.723 > 9 10 Ga 0.87944339438002 0.06378328361153 0.61136283376096 69.723 > 9 11 Ga 0.87944339438002 0.93621671638847 0.36136283376096 69.723 > 11 12 Ga 0.87944339438002 0.93621671638847 0.86136283376096 69.723 > 11 13 Ga 0.67373224267419 0.91264645800274 0.14738120189475 69.723 > 13 14 Ga 0.67373224267419 0.91264645800274 0.64738120189475 69.723 > 13 15 Ga 0.67373224267419 0.08735354199726 0.39738120189475 69.723 > 15 16 Ga 0.67373224267419 0.08735354199726 0.89738120189475 69.723 > 15 17 Ga 0.32626775732581 0.91264645800274 0.10261879810525 69.723 > 17 18 Ga 0.32626775732581 0.91264645800274 0.60261879810525 69.723 > 17 19 Ga 0.32626775732581 0.08735354199726 0.35261879810525 69.723 > 19 20 Ga 0.32626775732581 0.08735354199726 0.85261879810525 69.723 > 19 21 Ga 0.12055660561998 0.06378328361153 0.13863716623904 69.723 > 21 22 Ga 0.12055660561998 0.06378328361153 0.63863716623904 69.723 > 21 23 Ga 0.12055660561998 0.93621671638847 0.38863716623904 69.723 > 23 24 Ga 0.12055660561998 0.93621671638847 0.88863716623904 69.723 > 23 25 Ga 0.37944339438002 0.56378328361153 0.11136283376096 69.723 > 9 26 Ga 0.37944339438002 0.56378328361153 0.61136283376096 69.723 > 9 27 Ga 0.37944339438002 0.43621671638846 0.36136283376096 69.723 > 11 28 Ga 0.37944339438002 0.43621671638846 0.86136283376096 69.723 > 11 29 Ga 0.17373224267419 0.41264645800274 0.14738120189475 69.723 > 13 30 Ga 0.17373224267419 0.41264645800274 0.64738120189475 69.723 > 13 31 Ga 0.17373224267419 0.58735354199726 0.39738120189475 69.723 > 15 32 Ga 0.17373224267419 0.58735354199726 0.89738120189475 69.723 > 15 33 Ga 0.82626775732581 0.41264645800274 0.10261879810525 69.723 > 17 34 Ga 0.82626775732581 0.41264645800274 0.60261879810525 69.723 > 17 35 Ga 0.82626775732581 0.58735354199726 0.35261879810525 69.723 > 19 36 Ga 0.82626775732581 0.58735354199726 0.85261879810525 69.723 > 19 37 Ga 0.62055660561998 0.56378328361153 0.13863716623904 69.723 > 21 38 Ga 0.62055660561998 0.56378328361153 0.63863716623904 69.723 > 21 39 Ga 0.62055660561998 0.43621671638846 0.38863716623904 69.723 > 23 40 Ga 0.62055660561998 0.43621671638846 0.88863716623904 69.723 > 23 41 O 0.81421606318874 0.93905429961599 0.19637705361804 15.999 > 41 42 O 0.81421606318874 0.93905429961599 0.69637705361804 15.999 > 41 43 O 0.81421606318874 0.06094570038401 0.44637705361804 15.999 > 43 44 O 0.81421606318874 0.06094570038401 0.94637705361804 15.999 > 43 45 O 0.62141211886506 0.03683457246584 0.02268368941794 15.999 > 45 46 O 0.62141211886506 0.03683457246584 0.52268368941794 15.999 > 45 47 O 0.62663511562222 0.74162564629402 0.08314236580153 15.999 > 47 48 O 0.62663511562222 0.74162564629402 0.58314236580153 15.999 > 47 49 O 0.62141211886506 0.96316542753416 0.27268368941794 15.999 > 49 50 O 0.62141211886506 0.96316542753416 0.77268368941794 15.999 > 49 51 O 0.62663511562222 0.25837435370598 0.33314236580153 15.999 > 51 52 O 0.62663511562222 0.25837435370598 0.83314236580153 15.999 > 51 53 O 0.50000000000000 0.47509343232600 0.12500000000000 15.999 > 53 54 O 0.50000000000000 0.47509343232600 0.62500000000000 15.999 > 53 55 O 0.50000000000000 0.52490656767400 0.37500000000000 15.999 > 55 56 O 0.50000000000000 0.52490656767400 0.87500000000000 15.999 > 55 57 O 0.37336488437778 0.74162564629402 0.16685763419847 15.999 > 57 58 O 0.37336488437778 0.74162564629402 0.66685763419847 15.999 > 57 59 O 0.37858788113494 0.03683457246584 0.22731631058206 15.999 > 59 60 O 0.37858788113494 0.03683457246584 0.72731631058206 15.999 > 59 61 O 0.37336488437778 0.25837435370598 0.41685763419847 15.999 > 61 62 O 0.37336488437778 0.25837435370598 0.91685763419847 15.999 > 61 63 O 0.37858788113494 0.96316542753416 0.47731631058206 15.999 > 63 64 O 0.37858788113494 0.96316542753416 0.97731631058206 15.999 > 63 65 O 0.18578393681125 0.93905429961599 0.05362294638196 15.999 > 65 66 O 0.18578393681125 0.93905429961599 0.55362294638196 15.999 > 65 67 O 0.18578393681125 0.06094570038401 0.30362294638196 15.999 > 67 68 O 0.18578393681125 0.06094570038401 0.80362294638196 15.999 > 67 69 O 0.31421606318875 0.43905429961599 0.19637705361804 15.999 > 41 70 O 0.31421606318875 0.43905429961599 0.69637705361804 15.999 > 41 71 O 0.31421606318875 0.56094570038401 0.44637705361804 15.999 > 43 72 O 0.31421606318875 0.56094570038401 0.94637705361804 15.999 > 43 73 O 0.12141211886506 0.53683457246584 0.02268368941794 15.999 > 45 74 O 0.12141211886506 0.53683457246584 0.52268368941794 15.999 > 45 75 O 0.12663511562222 0.24162564629402 0.08314236580153 15.999 > 47 76 O 0.12663511562222 0.24162564629402 0.58314236580153 15.999 > 47 77 O 0.12141211886506 0.46316542753416 0.27268368941794 15.999 > 49 78 O 0.12141211886506 0.46316542753416 0.77268368941794 15.999 > 49 79 O 0.12663511562222 0.75837435370598 0.33314236580153 15.999 > 51 80 O 0.12663511562222 0.75837435370598 0.83314236580153 15.999 > 51 81 O 0.00000000000000 0.97509343232600 0.12500000000000 15.999 > 53 82 O 0.00000000000000 0.97509343232600 0.62500000000000 15.999 > 53 83 O 0.00000000000000 0.02490656767400 0.37500000000000 15.999 > 55 84 O 0.00000000000000 0.02490656767400 0.87500000000000 15.999 > 55 85 O 0.87336488437778 0.24162564629402 0.16685763419847 15.999 > 57 86 O 0.87336488437778 0.24162564629402 0.66685763419847 15.999 > 57 87 O 0.87858788113494 0.53683457246584 0.22731631058206 15.999 > 59 88 O 0.87858788113494 0.53683457246584 0.72731631058206 15.999 > 59 89 O 0.87336488437778 0.75837435370598 0.41685763419847 15.999 > 61 90 O 0.87336488437778 0.75837435370598 0.91685763419847 15.999 > 61 91 O 0.87858788113494 0.46316542753416 0.47731631058206 15.999 > 63 92 O 0.87858788113494 0.46316542753416 0.97731631058206 15.999 > 63 93 O 0.68578393681126 0.43905429961599 0.05362294638196 15.999 > 65 94 O 0.68578393681126 0.43905429961599 0.55362294638196 15.999 > 65 95 O 0.68578393681126 0.56094570038401 0.30362294638196 15.999 > 67 96 O 0.68578393681126 0.56094570038401 0.80362294638196 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3231109 0.0000000 0.0594339 0.0000000 3.3826762 0.0000000 0.0594522 0.0000000 3.4618076 -------------------------- Born effective charges -------------------------- 1 Ba 2.4085201 0.0000000 0.1350922 0.0000000 2.7051022 -0.0000000 0.1887651 -0.0000000 2.7671580 2 Ba 2.4085201 0.0000000 0.1350922 0.0000000 2.7051022 -0.0000000 0.1887651 -0.0000000 2.7671580 3 Ga 2.7510603 -0.1166619 -0.0099611 -0.0120833 2.7242967 0.1821100 -0.0498709 -0.2005393 2.8401656 4 Ga 2.7510603 0.1166619 -0.0099611 0.0120833 2.7242967 -0.1821100 -0.0498709 0.2005393 2.8401656 5 Ga 2.6518846 0.2481581 0.0864808 0.1206893 2.6995381 0.3136719 0.1025846 -0.0064486 2.8151154 6 Ga 2.6518846 -0.2481581 0.0864808 -0.1206893 2.6995381 -0.3136719 0.1025846 0.0064486 2.8151154 7 Ga 2.6518846 -0.2481581 0.0864808 -0.1206893 2.6995381 -0.3136719 0.1025846 0.0064486 2.8151154 8 Ga 2.6518846 0.2481581 0.0864808 0.1206893 2.6995381 0.3136719 0.1025846 -0.0064486 2.8151154 9 Ga 2.7510603 0.1166619 -0.0099611 0.0120833 2.7242967 -0.1821100 -0.0498709 0.2005393 2.8401656 10 Ga 2.7510603 -0.1166619 -0.0099611 -0.0120833 2.7242967 0.1821100 -0.0498709 -0.2005393 2.8401656 11 O -2.2992781 -0.4251825 -0.1560581 -0.3611043 -1.4295935 0.3182416 -0.1283782 0.2377582 -2.1960256 12 O -2.2992781 0.4251825 -0.1560581 0.3611043 -1.4295935 -0.3182416 -0.1283782 -0.2377582 -2.1960256 13 O -1.7956228 0.0195297 0.3360972 0.0347582 -1.7454184 0.3215281 0.3004212 0.3561419 -2.3453021 14 O -1.2853831 -0.2493981 -0.2406889 -0.2785604 -2.6842987 0.0340468 -0.2507161 0.0405667 -1.7533046 15 O -1.7956228 -0.0195297 0.3360972 -0.0347582 -1.7454184 -0.3215281 0.3004212 -0.3561419 -2.3453021 16 O -1.2853831 0.2493981 -0.2406889 0.2785604 -2.6842987 -0.0340468 -0.2507161 -0.0405667 -1.7533046 17 O -2.4538417 0.0000000 -0.1668318 0.0000000 -1.8341507 -0.0000000 -0.1368462 -0.0000000 -1.4884555 18 O -2.4538417 0.0000000 -0.1668318 0.0000000 -1.8341507 -0.0000000 -0.1368462 -0.0000000 -1.4884555 19 O -1.2853831 0.2493981 -0.2406889 0.2785604 -2.6842987 -0.0340468 -0.2507161 -0.0405667 -1.7533046 20 O -1.7956228 -0.0195297 0.3360972 -0.0347582 -1.7454184 -0.3215281 0.3004212 -0.3561419 -2.3453021 21 O -1.2853831 -0.2493981 -0.2406889 -0.2785604 -2.6842987 0.0340468 -0.2507161 0.0405667 -1.7533046 22 O -1.7956228 0.0195297 0.3360972 0.0347582 -1.7454184 0.3215281 0.3004212 0.3561419 -2.3453021 23 O -2.2992781 0.4251825 -0.1560581 0.3611043 -1.4295935 -0.3182416 -0.1283782 -0.2377582 -2.1960256 24 O -2.2992781 -0.4251825 -0.1560581 -0.3611043 -1.4295935 0.3182416 -0.1283782 0.2377582 -2.1960256 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 13, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 45, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 47, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) 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 2026-01-09 01:49:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:49:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.844091551885333 -4.700262514999999 0.000000000000000 b 6.844091551885333 4.700262514999999 0.000000000000000 c -1.466220880309598 0.000000000000000 5.600694886302822 Atomic positions (fractional): 1 Ba 0.31060730500680 0.68939269499320 0.25000000000000 137.327 2 Ba 0.68939269499320 0.31060730500680 0.75000000000000 137.327 3 Ga 0.81566011076848 0.94322667799155 0.22272566752193 69.723 4 Ga 0.94322667799155 0.81566011076848 0.72272566752193 69.723 5 Ga 0.76108578467145 0.58637870067693 0.29476240378949 69.723 6 Ga 0.58637870067693 0.76108578467145 0.79476240378950 69.723 7 Ga 0.41362129932307 0.23891421532855 0.20523759621050 69.723 8 Ga 0.23891421532855 0.41362129932307 0.70523759621050 69.723 9 Ga 0.05677332200845 0.18433988923152 0.27727433247807 69.723 10 Ga 0.18433988923152 0.05677332200845 0.77727433247807 69.723 11 O 0.87516176357275 0.75327036280473 0.39275410723608 15.999 12 O 0.75327036280473 0.87516176357275 0.89275410723608 15.999 13 O 0.58457754639922 0.65824669133090 0.04536737883588 15.999 14 O 0.88500946932820 0.36826076191624 0.16628473160307 15.999 15 O 0.65824669133090 0.58457754639922 0.54536737883588 15.999 16 O 0.36826076191624 0.88500946932820 0.66628473160307 15.999 17 O 0.02490656767400 0.97509343232600 0.25000000000000 15.999 18 O 0.97509343232600 0.02490656767400 0.75000000000000 15.999 19 O 0.63173923808376 0.11499053067180 0.33371526839693 15.999 20 O 0.34175330866910 0.41542245360078 0.45463262116412 15.999 21 O 0.11499053067180 0.63173923808376 0.83371526839693 15.999 22 O 0.41542245360078 0.34175330866910 0.95463262116412 15.999 23 O 0.24672963719526 0.12483823642724 0.10724589276392 15.999 24 O 0.12483823642724 0.24672963719527 0.60724589276392 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.688183103770665 0.000000000000000 0.000000000000000 b 0.000000000000000 9.400525029999999 0.000000000000000 c -2.932441760619196 0.000000000000000 11.201389772605644 Atomic positions (fractional): 1 Ba 0.50000000000000 0.18939269499320 0.12500000000000 137.327 > 1 2 Ba 0.50000000000000 0.18939269499320 0.62500000000000 137.327 > 1 3 Ba 0.50000000000000 0.81060730500680 0.37500000000000 137.327 > 3 4 Ba 0.50000000000000 0.81060730500680 0.87500000000000 137.327 > 3 5 Ba 0.00000000000000 0.68939269499320 0.12500000000000 137.327 > 1 6 Ba 0.00000000000000 0.68939269499320 0.62500000000000 137.327 > 1 7 Ba 0.00000000000000 0.31060730500680 0.37500000000000 137.327 > 3 8 Ba 0.00000000000000 0.31060730500680 0.87500000000000 137.327 > 3 9 Ga 0.87944339438002 0.06378328361153 0.11136283376096 69.723 > 9 10 Ga 0.87944339438002 0.06378328361153 0.61136283376096 69.723 > 9 11 Ga 0.87944339438002 0.93621671638847 0.36136283376096 69.723 > 11 12 Ga 0.87944339438002 0.93621671638847 0.86136283376096 69.723 > 11 13 Ga 0.67373224267419 0.91264645800274 0.14738120189475 69.723 > 13 14 Ga 0.67373224267419 0.91264645800274 0.64738120189475 69.723 > 13 15 Ga 0.67373224267419 0.08735354199726 0.39738120189475 69.723 > 15 16 Ga 0.67373224267419 0.08735354199726 0.89738120189475 69.723 > 15 17 Ga 0.32626775732581 0.91264645800274 0.10261879810525 69.723 > 17 18 Ga 0.32626775732581 0.91264645800274 0.60261879810525 69.723 > 17 19 Ga 0.32626775732581 0.08735354199726 0.35261879810525 69.723 > 19 20 Ga 0.32626775732581 0.08735354199726 0.85261879810525 69.723 > 19 21 Ga 0.12055660561998 0.06378328361153 0.13863716623904 69.723 > 21 22 Ga 0.12055660561998 0.06378328361153 0.63863716623904 69.723 > 21 23 Ga 0.12055660561998 0.93621671638847 0.38863716623904 69.723 > 23 24 Ga 0.12055660561998 0.93621671638847 0.88863716623904 69.723 > 23 25 Ga 0.37944339438002 0.56378328361153 0.11136283376096 69.723 > 9 26 Ga 0.37944339438002 0.56378328361153 0.61136283376096 69.723 > 9 27 Ga 0.37944339438002 0.43621671638846 0.36136283376096 69.723 > 11 28 Ga 0.37944339438002 0.43621671638846 0.86136283376096 69.723 > 11 29 Ga 0.17373224267419 0.41264645800274 0.14738120189475 69.723 > 13 30 Ga 0.17373224267419 0.41264645800274 0.64738120189475 69.723 > 13 31 Ga 0.17373224267419 0.58735354199726 0.39738120189475 69.723 > 15 32 Ga 0.17373224267419 0.58735354199726 0.89738120189475 69.723 > 15 33 Ga 0.82626775732581 0.41264645800274 0.10261879810525 69.723 > 17 34 Ga 0.82626775732581 0.41264645800274 0.60261879810525 69.723 > 17 35 Ga 0.82626775732581 0.58735354199726 0.35261879810525 69.723 > 19 36 Ga 0.82626775732581 0.58735354199726 0.85261879810525 69.723 > 19 37 Ga 0.62055660561998 0.56378328361153 0.13863716623904 69.723 > 21 38 Ga 0.62055660561998 0.56378328361153 0.63863716623904 69.723 > 21 39 Ga 0.62055660561998 0.43621671638846 0.38863716623904 69.723 > 23 40 Ga 0.62055660561998 0.43621671638846 0.88863716623904 69.723 > 23 41 O 0.81421606318874 0.93905429961599 0.19637705361804 15.999 > 41 42 O 0.81421606318874 0.93905429961599 0.69637705361804 15.999 > 41 43 O 0.81421606318874 0.06094570038401 0.44637705361804 15.999 > 43 44 O 0.81421606318874 0.06094570038401 0.94637705361804 15.999 > 43 45 O 0.62141211886506 0.03683457246584 0.02268368941794 15.999 > 45 46 O 0.62141211886506 0.03683457246584 0.52268368941794 15.999 > 45 47 O 0.62663511562222 0.74162564629402 0.08314236580153 15.999 > 47 48 O 0.62663511562222 0.74162564629402 0.58314236580153 15.999 > 47 49 O 0.62141211886506 0.96316542753416 0.27268368941794 15.999 > 49 50 O 0.62141211886506 0.96316542753416 0.77268368941794 15.999 > 49 51 O 0.62663511562222 0.25837435370598 0.33314236580153 15.999 > 51 52 O 0.62663511562222 0.25837435370598 0.83314236580153 15.999 > 51 53 O 0.50000000000000 0.47509343232600 0.12500000000000 15.999 > 53 54 O 0.50000000000000 0.47509343232600 0.62500000000000 15.999 > 53 55 O 0.50000000000000 0.52490656767400 0.37500000000000 15.999 > 55 56 O 0.50000000000000 0.52490656767400 0.87500000000000 15.999 > 55 57 O 0.37336488437778 0.74162564629402 0.16685763419847 15.999 > 57 58 O 0.37336488437778 0.74162564629402 0.66685763419847 15.999 > 57 59 O 0.37858788113494 0.03683457246584 0.22731631058206 15.999 > 59 60 O 0.37858788113494 0.03683457246584 0.72731631058206 15.999 > 59 61 O 0.37336488437778 0.25837435370598 0.41685763419847 15.999 > 61 62 O 0.37336488437778 0.25837435370598 0.91685763419847 15.999 > 61 63 O 0.37858788113494 0.96316542753416 0.47731631058206 15.999 > 63 64 O 0.37858788113494 0.96316542753416 0.97731631058206 15.999 > 63 65 O 0.18578393681125 0.93905429961599 0.05362294638196 15.999 > 65 66 O 0.18578393681125 0.93905429961599 0.55362294638196 15.999 > 65 67 O 0.18578393681125 0.06094570038401 0.30362294638196 15.999 > 67 68 O 0.18578393681125 0.06094570038401 0.80362294638196 15.999 > 67 69 O 0.31421606318875 0.43905429961599 0.19637705361804 15.999 > 41 70 O 0.31421606318875 0.43905429961599 0.69637705361804 15.999 > 41 71 O 0.31421606318875 0.56094570038401 0.44637705361804 15.999 > 43 72 O 0.31421606318875 0.56094570038401 0.94637705361804 15.999 > 43 73 O 0.12141211886506 0.53683457246584 0.02268368941794 15.999 > 45 74 O 0.12141211886506 0.53683457246584 0.52268368941794 15.999 > 45 75 O 0.12663511562222 0.24162564629402 0.08314236580153 15.999 > 47 76 O 0.12663511562222 0.24162564629402 0.58314236580153 15.999 > 47 77 O 0.12141211886506 0.46316542753416 0.27268368941794 15.999 > 49 78 O 0.12141211886506 0.46316542753416 0.77268368941794 15.999 > 49 79 O 0.12663511562222 0.75837435370598 0.33314236580153 15.999 > 51 80 O 0.12663511562222 0.75837435370598 0.83314236580153 15.999 > 51 81 O 0.00000000000000 0.97509343232600 0.12500000000000 15.999 > 53 82 O 0.00000000000000 0.97509343232600 0.62500000000000 15.999 > 53 83 O 0.00000000000000 0.02490656767400 0.37500000000000 15.999 > 55 84 O 0.00000000000000 0.02490656767400 0.87500000000000 15.999 > 55 85 O 0.87336488437778 0.24162564629402 0.16685763419847 15.999 > 57 86 O 0.87336488437778 0.24162564629402 0.66685763419847 15.999 > 57 87 O 0.87858788113494 0.53683457246584 0.22731631058206 15.999 > 59 88 O 0.87858788113494 0.53683457246584 0.72731631058206 15.999 > 59 89 O 0.87336488437778 0.75837435370598 0.41685763419847 15.999 > 61 90 O 0.87336488437778 0.75837435370598 0.91685763419847 15.999 > 61 91 O 0.87858788113494 0.46316542753416 0.47731631058206 15.999 > 63 92 O 0.87858788113494 0.46316542753416 0.97731631058206 15.999 > 63 93 O 0.68578393681126 0.43905429961599 0.05362294638196 15.999 > 65 94 O 0.68578393681126 0.43905429961599 0.55362294638196 15.999 > 65 95 O 0.68578393681126 0.56094570038401 0.30362294638196 15.999 > 67 96 O 0.68578393681126 0.56094570038401 0.80362294638196 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3231109 0.0000000 0.0594339 0.0000000 3.3826762 0.0000000 0.0594522 0.0000000 3.4618076 -------------------------- Born effective charges -------------------------- 1 Ba 2.4085201 0.0000000 0.1350922 0.0000000 2.7051022 -0.0000000 0.1887651 -0.0000000 2.7671580 2 Ba 2.4085201 0.0000000 0.1350922 0.0000000 2.7051022 -0.0000000 0.1887651 -0.0000000 2.7671580 3 Ga 2.7510603 -0.1166619 -0.0099611 -0.0120833 2.7242967 0.1821100 -0.0498709 -0.2005393 2.8401656 4 Ga 2.7510603 0.1166619 -0.0099611 0.0120833 2.7242967 -0.1821100 -0.0498709 0.2005393 2.8401656 5 Ga 2.6518846 0.2481581 0.0864808 0.1206893 2.6995381 0.3136719 0.1025846 -0.0064486 2.8151154 6 Ga 2.6518846 -0.2481581 0.0864808 -0.1206893 2.6995381 -0.3136719 0.1025846 0.0064486 2.8151154 7 Ga 2.6518846 -0.2481581 0.0864808 -0.1206893 2.6995381 -0.3136719 0.1025846 0.0064486 2.8151154 8 Ga 2.6518846 0.2481581 0.0864808 0.1206893 2.6995381 0.3136719 0.1025846 -0.0064486 2.8151154 9 Ga 2.7510603 0.1166619 -0.0099611 0.0120833 2.7242967 -0.1821100 -0.0498709 0.2005393 2.8401656 10 Ga 2.7510603 -0.1166619 -0.0099611 -0.0120833 2.7242967 0.1821100 -0.0498709 -0.2005393 2.8401656 11 O -2.2992781 -0.4251825 -0.1560581 -0.3611043 -1.4295935 0.3182416 -0.1283782 0.2377582 -2.1960256 12 O -2.2992781 0.4251825 -0.1560581 0.3611043 -1.4295935 -0.3182416 -0.1283782 -0.2377582 -2.1960256 13 O -1.7956228 0.0195297 0.3360972 0.0347582 -1.7454184 0.3215281 0.3004212 0.3561419 -2.3453021 14 O -1.2853831 -0.2493981 -0.2406889 -0.2785604 -2.6842987 0.0340468 -0.2507161 0.0405667 -1.7533046 15 O -1.7956228 -0.0195297 0.3360972 -0.0347582 -1.7454184 -0.3215281 0.3004212 -0.3561419 -2.3453021 16 O -1.2853831 0.2493981 -0.2406889 0.2785604 -2.6842987 -0.0340468 -0.2507161 -0.0405667 -1.7533046 17 O -2.4538417 0.0000000 -0.1668318 0.0000000 -1.8341507 -0.0000000 -0.1368462 -0.0000000 -1.4884555 18 O -2.4538417 0.0000000 -0.1668318 0.0000000 -1.8341507 -0.0000000 -0.1368462 -0.0000000 -1.4884555 19 O -1.2853831 0.2493981 -0.2406889 0.2785604 -2.6842987 -0.0340468 -0.2507161 -0.0405667 -1.7533046 20 O -1.7956228 -0.0195297 0.3360972 -0.0347582 -1.7454184 -0.3215281 0.3004212 -0.3561419 -2.3453021 21 O -1.2853831 -0.2493981 -0.2406889 -0.2785604 -2.6842987 0.0340468 -0.2507161 0.0405667 -1.7533046 22 O -1.7956228 0.0195297 0.3360972 0.0347582 -1.7454184 0.3215281 0.3004212 0.3561419 -2.3453021 23 O -2.2992781 0.4251825 -0.1560581 0.3611043 -1.4295935 -0.3182416 -0.1283782 -0.2377582 -2.1960256 24 O -2.2992781 -0.4251825 -0.1560581 -0.3611043 -1.4295935 0.3182416 -0.1283782 0.2377582 -2.1960256 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (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 ... [ 7 7 9 ] 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: 0.58, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 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 1.904 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 10.328 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 12.262 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.210 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.670 ( 0.000 0.000 0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 16.495 ( 0.000 0.000 0.000) 0.000 16.541 ( 0.000 0.000 0.000) 0.000 17.911 ( 0.000 0.000 0.000) 0.000 18.219 ( 0.000 0.000 0.000) 0.000 18.485 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.586 ( 0.000 0.000 0.000) 0.000 19.198 ( 0.000 0.000 0.000) 0.000 19.721 ( 0.000 0.000 0.000) 0.000 19.800 ( 0.000 0.000 0.000) 0.000 21.489 ( 0.000 0.000 0.000) 0.000 21.708 ( 0.000 0.000 0.000) 0.000 22.026 ( 0.000 0.000 0.000) 0.000 22.699 ( 0.000 0.000 0.000) 0.000 23.623 ( 0.000 0.000 0.000) 0.000 23.709 ( 0.000 0.000 0.000) 0.000 23.918 ( 0.000 0.000 0.000) 0.000 24.235 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 26.017 -11.214 -3.273) 28.519 0.559 ( 23.097 -17.330 17.100) 33.559 0.980 ( 12.736 -51.420 7.403) 53.489 1.979 ( -0.020 -8.776 -1.693) 8.938 2.262 ( -15.102 2.332 2.557) 15.493 2.331 ( 1.599 2.224 -1.129) 2.963 2.419 ( 0.150 2.383 0.616) 2.466 2.619 ( 8.818 1.423 -3.750) 9.687 2.999 ( 1.464 4.565 5.443) 7.253 3.102 ( -0.768 3.210 -3.527) 4.830 3.173 ( -0.611 3.770 4.848) 6.172 3.292 ( -1.337 -4.058 1.416) 4.501 3.413 ( -9.025 -5.791 -0.173) 10.725 3.582 ( -10.822 -0.809 -9.234) 14.249 3.718 ( -4.379 -7.258 0.187) 8.479 3.856 ( 1.254 9.672 1.448) 9.859 4.022 ( 7.013 -0.560 5.337) 8.831 4.186 ( 4.578 0.573 2.774) 5.384 4.326 ( 1.292 -5.195 0.945) 5.436 4.472 ( -0.950 -3.710 1.180) 4.008 4.898 ( 3.261 25.612 -2.807) 25.971 5.254 ( -0.580 11.565 3.204) 12.014 5.387 ( -2.275 7.642 -2.319) 8.304 5.546 ( 15.662 2.094 3.065) 16.096 5.583 ( 7.504 1.193 -0.895) 7.651 5.651 ( 8.877 0.106 1.994) 9.099 5.836 ( 2.440 -22.761 -1.531) 22.943 6.384 ( -1.630 -0.572 1.206) 2.107 6.532 ( -4.445 -0.574 -2.900) 5.339 6.880 ( 0.885 11.156 0.151) 11.192 7.141 ( -1.129 -5.305 -0.004) 5.424 7.382 ( -0.602 2.070 0.979) 2.368 7.554 ( -7.683 3.631 1.349) 8.604 7.719 ( 2.888 -2.322 -0.211) 3.712 7.757 ( -4.576 7.231 -3.283) 9.165 7.970 ( 6.224 7.103 1.616) 9.581 8.240 ( -4.758 -9.364 1.929) 10.679 8.379 ( -4.260 -4.561 -7.227) 9.549 8.635 ( 0.360 0.010 2.310) 2.338 8.730 ( -6.304 -8.765 1.606) 10.915 8.878 ( 0.796 -0.200 -3.255) 3.357 9.372 ( -0.424 -2.243 -0.524) 2.342 10.429 ( -8.405 -4.873 -3.677) 10.388 10.820 ( -0.064 1.006 -0.543) 1.145 12.474 ( 16.030 13.071 25.340) 32.710 12.860 ( 1.302 4.289 8.822) 9.896 13.068 ( -0.543 4.789 -0.911) 4.906 13.226 ( -0.550 -3.159 -0.712) 3.285 13.349 ( 1.749 -1.066 0.819) 2.206 13.660 ( -1.713 0.436 1.233) 2.155 13.902 ( 0.052 -1.898 -0.613) 1.995 14.156 ( -7.433 -5.842 -2.039) 9.671 14.362 ( 1.081 4.010 -1.968) 4.596 15.660 ( -11.803 -8.027 -1.460) 14.348 16.500 ( 2.164 0.114 -6.443) 6.797 16.542 ( -0.013 -0.090 -0.327) 0.340 17.917 ( 2.008 0.585 -0.460) 2.141 18.257 ( -12.359 -3.686 -1.579) 12.993 18.532 ( 0.467 -0.033 0.070) 0.473 18.575 ( -0.469 0.652 -0.357) 0.879 19.224 ( 0.401 -1.104 3.798) 3.975 19.411 ( 67.506 42.332 5.133) 79.846 19.723 ( -0.686 -0.045 3.645) 3.710 19.803 ( -0.059 0.091 3.065) 3.067 21.500 ( 0.328 -1.197 -0.352) 1.290 21.992 ( -0.802 3.591 -0.272) 3.690 22.397 ( -20.842 -13.299 -1.681) 24.780 22.836 ( 12.177 5.182 -2.106) 13.400 23.600 ( -0.638 2.923 0.613) 3.054 23.884 ( -6.500 -1.495 -1.906) 6.937 24.270 ( 5.892 0.283 1.883) 6.192 24.496 ( -37.219 -27.780 -13.958) 48.495 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 26.523 -7.294 -4.704) 27.907 1.092 ( 20.573 -16.594 15.275) 30.528 1.724 ( -6.679 -24.406 10.578) 27.425 2.056 ( -10.466 -8.760 1.398) 13.720 2.159 ( -4.715 -10.849 -5.545) 13.065 2.242 ( -2.908 8.294 -3.355) 9.408 2.475 ( 8.278 -7.409 5.219) 12.274 2.671 ( 6.443 1.005 1.457) 6.682 2.973 ( 2.224 1.572 0.166) 2.729 3.058 ( -2.903 0.084 -4.044) 4.979 3.130 ( 0.730 2.560 1.497) 3.055 3.260 ( -11.685 1.438 -10.593) 15.837 3.361 ( -1.104 -2.406 4.021) 4.814 3.579 ( -6.033 -9.126 -3.652) 11.533 3.730 ( 1.484 6.540 -1.172) 6.808 3.806 ( 2.605 -1.111 4.258) 5.114 4.026 ( 1.745 3.376 1.252) 4.002 4.308 ( 6.505 -2.426 3.140) 7.620 4.406 ( -1.062 -4.990 1.509) 5.320 4.504 ( -2.624 5.446 -0.297) 6.053 4.547 ( 1.593 12.726 -3.489) 13.291 5.117 ( 1.100 8.968 2.353) 9.336 5.171 ( -3.453 14.147 -0.368) 14.567 5.514 ( -4.337 1.808 -2.483) 5.315 5.697 ( 11.970 1.869 -0.027) 12.115 5.856 ( 11.702 -7.884 4.097) 14.693 6.203 ( 2.198 -20.193 -0.626) 20.322 6.389 ( -0.455 -1.938 -1.545) 2.520 6.479 ( -4.799 -0.701 -2.558) 5.483 6.720 ( 1.773 10.957 1.462) 11.195 7.144 ( -3.875 0.830 0.239) 3.970 7.343 ( -3.110 11.722 2.435) 12.369 7.411 ( -1.257 -1.787 1.601) 2.709 7.569 ( -6.384 7.395 -2.323) 10.041 7.772 ( 2.490 -0.509 0.549) 2.600 8.012 ( 7.161 -1.779 -0.526) 7.397 8.286 ( -7.259 -3.878 -1.721) 8.408 8.390 ( -2.780 -5.179 -2.862) 6.537 8.633 ( 2.157 3.512 2.414) 4.777 8.808 ( 3.099 -2.566 1.565) 4.317 8.887 ( -4.063 -3.897 -0.548) 5.657 9.404 ( -0.630 -2.673 -1.108) 2.961 10.400 ( -4.082 -0.982 -1.371) 4.416 10.800 ( 0.112 1.310 -0.663) 1.472 12.526 ( 7.122 2.913 12.699) 14.848 12.808 ( 0.000 5.396 0.277) 5.403 13.006 ( 1.517 2.575 -0.709) 3.071 13.279 ( -0.178 -3.735 0.128) 3.741 13.370 ( 0.313 0.089 0.729) 0.798 13.626 ( -3.049 1.250 1.927) 3.817 13.945 ( -0.343 -4.032 -0.352) 4.062 14.164 ( -3.620 -3.164 -0.250) 4.814 14.291 ( 2.117 6.182 -3.040) 7.207 15.653 ( -4.979 -3.114 -1.474) 6.055 16.505 ( 0.864 -0.180 -1.987) 2.174 16.541 ( -0.132 -0.014 -0.363) 0.387 17.933 ( 3.497 0.946 -0.699) 3.690 18.167 ( -8.772 -0.095 -0.165) 8.774 18.539 ( 0.807 0.083 0.088) 0.816 18.563 ( -0.736 -0.022 -0.354) 0.817 19.236 ( 2.799 2.816 3.871) 5.545 19.510 ( 24.772 9.452 -4.716) 26.930 19.729 ( 0.157 -0.224 1.961) 1.980 19.814 ( 0.187 0.152 5.752) 5.757 21.529 ( 0.659 -2.094 -0.539) 2.260 21.911 ( -1.337 4.957 -0.268) 5.141 22.371 ( -8.734 -4.244 -0.633) 9.731 22.893 ( 6.342 -0.150 -0.514) 6.364 23.524 ( -2.660 4.585 0.548) 5.329 23.845 ( -5.026 -2.259 -1.847) 5.812 24.337 ( 7.271 1.224 2.548) 7.801 24.488 ( -16.744 -11.929 -6.911) 21.689 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 23.154 -3.631 -5.522) 24.079 1.509 ( -0.480 -6.123 8.634) 10.596 1.666 ( -6.703 -6.791 11.396) 14.863 1.983 ( -9.085 12.003 -9.090) 17.586 2.163 ( -1.154 -3.410 1.386) 3.858 2.290 ( -2.587 -6.671 -1.573) 7.326 2.700 ( 2.648 -2.214 5.003) 6.078 2.817 ( 5.848 -4.601 -0.451) 7.455 2.970 ( -0.031 1.286 -4.431) 4.614 3.029 ( 0.188 -3.588 -2.761) 4.531 3.123 ( -0.053 -0.279 -1.943) 1.963 3.240 ( 0.886 -14.458 4.285) 15.105 3.374 ( -1.032 -0.330 -0.097) 1.088 3.623 ( 2.059 5.686 -0.674) 6.085 3.695 ( -4.432 -6.872 -3.497) 8.894 3.809 ( 2.648 5.383 5.057) 7.846 3.889 ( -4.136 13.816 -1.135) 14.466 4.266 ( 0.746 3.575 -0.275) 3.663 4.425 ( 2.511 -1.842 0.187) 3.120 4.482 ( -1.757 -2.959 -0.258) 3.451 4.578 ( 1.863 -5.495 -0.553) 5.828 4.882 ( -3.383 14.090 0.812) 14.513 5.058 ( 0.614 3.043 0.476) 3.141 5.446 ( -1.750 1.214 -1.248) 2.469 5.771 ( 3.879 -0.151 -0.093) 3.883 6.096 ( 9.581 -6.475 2.589) 11.850 6.325 ( -5.878 2.466 -0.247) 6.379 6.373 ( -1.646 -0.950 -0.400) 1.942 6.554 ( 1.322 -3.086 -1.852) 3.834 6.680 ( 3.403 -7.773 -1.414) 8.602 7.065 ( 1.807 12.006 3.596) 12.662 7.121 ( -8.254 2.056 -0.552) 8.524 7.403 ( -2.035 2.662 -1.241) 3.573 7.481 ( 0.624 -0.621 1.064) 1.381 7.796 ( 1.085 -0.041 0.214) 1.107 8.119 ( 4.729 -3.139 -0.189) 5.679 8.231 ( -4.736 1.021 -1.851) 5.187 8.440 ( -1.628 -3.746 0.164) 4.088 8.597 ( 0.844 2.960 0.726) 3.162 8.858 ( 3.740 1.042 -0.638) 3.934 8.906 ( -3.731 -3.468 1.300) 5.257 9.426 ( -0.334 -1.110 -0.680) 1.344 10.375 ( -1.401 -0.041 -0.368) 1.449 10.784 ( 0.131 0.583 -0.278) 0.659 12.599 ( 3.494 -1.322 6.738) 7.704 12.713 ( -1.821 4.222 -3.114) 5.553 13.007 ( 1.743 0.423 -0.150) 1.800 13.318 ( -0.726 -1.454 0.500) 1.700 13.372 ( 0.694 -0.038 -0.368) 0.786 13.581 ( -1.942 1.027 1.071) 2.444 14.001 ( -0.640 -3.214 0.338) 3.294 14.172 ( -1.227 -1.188 0.121) 1.712 14.220 ( 1.563 4.060 -1.890) 4.743 15.646 ( -1.542 -0.864 -0.629) 1.876 16.511 ( 0.314 -0.150 -0.467) 0.582 16.538 ( -0.127 0.051 -0.155) 0.207 17.954 ( 2.592 0.599 -0.435) 2.696 18.095 ( -4.337 -0.025 0.157) 4.340 18.545 ( 0.516 0.174 0.032) 0.545 18.558 ( -0.472 -0.262 -0.130) 0.555 19.230 ( 1.191 1.423 1.355) 2.298 19.582 ( 6.338 1.517 -2.864) 7.119 19.740 ( 0.471 -0.180 0.066) 0.509 19.831 ( 0.441 0.036 3.622) 3.649 21.566 ( 0.517 -1.485 -0.308) 1.603 21.834 ( -0.859 2.750 -0.067) 2.882 22.349 ( -2.651 -0.978 -0.177) 2.832 22.953 ( 2.566 -0.877 -0.067) 2.712 23.438 ( -1.918 2.417 0.145) 3.088 23.834 ( -1.608 -0.987 -0.683) 2.006 24.389 ( 4.711 1.376 1.881) 5.255 24.473 ( -7.029 -4.469 -3.101) 8.887 ======================= Grid point 8 (5/128) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 18.312 0.000 10.445) 21.081 0.571 ( 23.872 0.000 12.362) 26.883 1.146 ( 49.003 0.000 17.307) 51.969 1.890 ( -1.732 -0.000 -0.552) 1.818 2.077 ( -25.027 -0.000 1.703) 25.085 2.399 ( 6.330 0.000 0.619) 6.360 2.431 ( -1.836 -0.000 2.068) 2.766 2.647 ( -1.202 -0.000 -4.980) 5.122 3.040 ( 0.392 0.000 -3.325) 3.348 3.149 ( -13.358 -0.000 6.188) 14.721 3.152 ( -10.516 -0.000 -6.108) 12.161 3.283 ( -0.878 -0.000 0.912) 1.266 3.322 ( 7.875 0.000 -0.945) 7.932 3.463 ( -6.238 -0.000 -3.523) 7.164 3.569 ( 3.700 0.000 -1.945) 4.180 3.961 ( 1.257 0.000 5.262) 5.409 4.125 ( 4.851 0.000 6.675) 8.252 4.239 ( 1.876 0.000 0.365) 1.911 4.286 ( 3.702 0.000 1.189) 3.888 4.470 ( 2.173 0.000 1.789) 2.814 5.100 ( -3.669 -0.000 -4.261) 5.623 5.406 ( -3.530 -0.000 2.460) 4.303 5.414 ( -6.998 -0.000 -7.237) 10.067 5.491 ( -0.413 -0.000 -2.137) 2.176 5.523 ( 0.631 0.000 0.283) 0.691 5.745 ( 14.768 0.000 2.386) 14.959 6.095 ( 3.111 0.000 -1.408) 3.415 6.374 ( 0.092 0.000 0.216) 0.235 6.392 ( -1.998 -0.000 -0.620) 2.092 7.032 ( 3.237 0.000 -4.784) 5.776 7.044 ( -2.336 -0.000 3.589) 4.283 7.355 ( -2.853 -0.000 -1.266) 3.121 7.535 ( -3.857 -0.000 4.107) 5.634 7.653 ( -5.551 -0.000 0.252) 5.557 7.891 ( -6.183 -0.000 -3.647) 7.179 7.904 ( 7.231 0.000 -2.646) 7.700 8.243 ( -3.891 -0.000 -6.053) 7.196 8.293 ( 2.580 0.000 5.915) 6.453 8.466 ( 1.908 0.000 4.775) 5.142 8.699 ( 1.559 0.000 0.142) 1.566 8.899 ( 1.132 0.000 -1.767) 2.099 9.319 ( -2.585 -0.000 -3.239) 4.145 10.330 ( -0.405 -0.000 2.037) 2.077 10.821 ( -0.303 -0.000 -1.333) 1.367 12.758 ( 3.172 0.000 0.190) 3.178 13.002 ( -12.103 -0.000 48.904) 50.379 13.103 ( -1.095 -0.000 -0.328) 1.143 13.194 ( -0.009 -0.000 -5.776) 5.776 13.371 ( -0.203 -0.000 3.462) 3.468 13.655 ( -0.884 -0.000 -1.867) 2.066 13.753 ( -9.661 -0.000 -2.089) 9.885 14.035 ( 3.027 0.000 -1.340) 3.311 14.427 ( 4.168 0.000 -5.552) 6.942 15.525 ( 2.827 0.000 -0.053) 2.827 16.506 ( 2.220 0.000 -7.595) 7.913 16.541 ( -0.009 -0.000 -0.215) 0.215 17.892 ( -1.955 -0.000 0.878) 2.143 18.236 ( 1.349 0.000 0.288) 1.379 18.540 ( 0.901 0.000 -0.037) 0.901 18.573 ( -0.913 -0.000 -0.875) 1.265 19.111 ( -8.125 -0.000 1.562) 8.274 19.721 ( 0.762 0.000 -2.837) 2.938 19.793 ( 0.158 0.000 -2.509) 2.514 20.902 ( 1.380 0.000 2.418) 2.784 21.477 ( -0.978 -0.000 -0.328) 1.032 21.732 ( 2.207 0.000 -0.165) 2.213 22.018 ( -0.862 -0.000 0.309) 0.915 23.020 ( 2.603 0.000 -8.655) 9.038 23.619 ( -0.870 -0.000 1.669) 1.882 23.716 ( 1.077 0.000 -1.636) 1.959 23.826 ( -5.777 -0.000 -2.576) 6.326 24.352 ( 7.867 0.000 2.445) 8.238 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 17.640 -12.991 8.525) 23.508 0.960 ( 14.191 -25.256 8.069) 30.072 1.643 ( 5.921 0.217 11.529) 12.962 1.860 ( 3.355 -4.306 7.543) 9.311 1.948 ( -1.873 -9.305 0.094) 9.492 2.344 ( -2.402 8.149 0.625) 8.519 2.492 ( 6.464 -2.492 3.023) 7.559 2.649 ( -1.394 -5.194 -1.190) 5.508 2.932 ( -13.847 -0.167 -14.363) 19.951 3.030 ( -3.756 0.898 -3.367) 5.123 3.105 ( -6.482 -5.370 -3.477) 9.107 3.230 ( 3.883 5.351 0.257) 6.616 3.378 ( 4.783 4.808 2.047) 7.084 3.450 ( 2.309 -4.569 1.677) 5.387 3.719 ( 1.285 -10.127 -0.510) 10.221 3.899 ( 1.937 10.575 0.222) 10.753 4.117 ( 2.925 2.501 2.778) 4.746 4.333 ( 4.049 -4.520 5.372) 8.105 4.371 ( 1.848 -2.993 3.438) 4.918 4.480 ( 1.392 0.732 -1.209) 1.984 4.872 ( -0.972 22.443 -6.003) 23.252 5.224 ( -6.440 4.443 -1.303) 7.932 5.273 ( -3.639 10.874 -1.365) 11.548 5.431 ( -7.377 -2.637 -4.134) 8.858 5.808 ( 2.924 -8.974 5.412) 10.880 5.921 ( 5.930 -6.215 0.363) 8.598 6.020 ( 11.238 0.593 1.431) 11.344 6.351 ( -0.534 -0.835 -1.161) 1.526 6.430 ( -1.669 -0.098 -3.623) 3.991 6.911 ( 1.707 10.214 0.777) 10.385 7.097 ( -1.677 -1.706 -1.902) 3.056 7.346 ( -3.631 -2.124 0.196) 4.211 7.476 ( -0.921 5.088 3.730) 6.375 7.538 ( -12.849 2.287 1.439) 13.130 7.822 ( 5.078 2.463 -2.820) 6.309 8.045 ( 2.559 -4.646 -0.719) 5.352 8.182 ( -1.816 0.351 0.218) 1.863 8.303 ( 0.937 -2.108 -3.091) 3.857 8.635 ( -3.300 -12.727 4.205) 13.804 8.699 ( 0.688 1.618 0.223) 1.772 8.897 ( 2.156 1.391 -0.919) 2.726 9.314 ( -3.366 -4.290 -3.866) 6.684 10.344 ( -1.516 -1.459 1.684) 2.695 10.809 ( -0.208 0.656 -1.612) 1.753 12.726 ( 3.812 7.690 8.818) 12.306 12.934 ( -2.067 8.855 13.601) 16.361 13.055 ( 0.504 2.218 1.086) 2.520 13.209 ( -0.353 -3.930 -2.554) 4.700 13.368 ( -1.150 0.402 1.287) 1.772 13.626 ( -1.431 1.144 -1.267) 2.227 13.756 ( -11.824 -10.568 1.984) 15.982 14.088 ( 1.137 -3.081 0.419) 3.311 14.415 ( 4.499 4.972 -5.634) 8.758 15.582 ( 1.760 -2.568 -0.366) 3.135 16.509 ( 1.385 0.015 -3.762) 4.009 16.540 ( -0.093 0.035 -0.168) 0.195 17.890 ( -3.223 -2.308 0.735) 4.031 18.211 ( 2.315 4.744 0.337) 5.290 18.547 ( -0.035 0.066 -0.233) 0.245 18.558 ( 0.155 0.312 -0.879) 0.945 19.071 ( -10.685 -6.070 1.612) 12.394 19.721 ( 0.978 0.031 -3.485) 3.620 19.782 ( 0.678 0.921 -3.917) 4.081 20.399 ( 22.512 43.415 9.337) 49.788 21.499 ( -0.432 -2.031 -1.009) 2.308 21.944 ( -3.279 -0.434 -1.410) 3.595 22.088 ( -6.946 -17.159 0.252) 18.514 22.988 ( 4.814 3.168 -2.609) 6.326 23.557 ( -4.200 4.872 0.565) 6.457 23.744 ( -2.787 -3.740 -1.184) 4.812 24.004 ( -9.306 -22.149 -5.560) 24.659 24.444 ( 8.121 -0.139 2.624) 8.535 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -10.379 -3.880 6.435) 12.814 1.399 ( 5.968 -8.454 7.734) 12.919 1.548 ( -0.293 -16.872 5.114) 17.632 1.992 ( -4.606 -5.115 -5.855) 9.037 2.136 ( -6.213 8.834 0.271) 10.803 2.214 ( 15.229 -0.793 9.582) 18.010 2.625 ( -2.217 -3.815 -10.470) 11.361 2.807 ( 0.833 -5.692 -1.706) 6.001 2.861 ( 8.003 -15.043 -0.131) 17.040 2.986 ( -1.904 0.633 -4.027) 4.499 3.110 ( -3.871 -4.545 1.128) 6.076 3.232 ( 7.597 3.199 0.885) 8.290 3.419 ( 5.060 -1.139 3.544) 6.282 3.519 ( 0.418 -2.550 2.809) 3.817 3.748 ( 2.067 6.216 -1.452) 6.710 3.871 ( 2.994 -3.380 0.065) 4.515 4.129 ( 5.233 7.523 2.697) 9.553 4.383 ( -1.169 4.612 2.207) 5.244 4.435 ( 2.731 4.388 4.979) 7.177 4.447 ( -2.523 7.352 -0.629) 7.798 4.532 ( 0.620 0.678 -7.520) 7.576 5.016 ( -9.466 10.344 -2.118) 14.180 5.108 ( -4.375 5.883 -3.359) 8.064 5.381 ( -5.463 -1.713 -0.378) 5.737 5.813 ( -0.955 2.680 2.919) 4.076 6.075 ( 0.477 -6.283 4.753) 7.893 6.287 ( 6.910 -10.559 -1.522) 12.710 6.333 ( -6.765 0.741 -2.099) 7.121 6.434 ( 8.307 -5.535 -6.993) 12.188 6.782 ( 3.384 9.894 0.976) 10.503 7.086 ( -1.030 0.765 -1.929) 2.316 7.249 ( -3.888 8.305 4.300) 10.128 7.384 ( -7.298 2.357 2.352) 8.022 7.462 ( -0.982 -1.451 0.398) 1.796 7.829 ( 2.741 2.176 -1.619) 3.856 8.119 ( 2.218 -2.751 1.300) 3.766 8.193 ( -0.272 -1.510 0.992) 1.827 8.363 ( 1.635 -4.835 -3.286) 6.071 8.654 ( -0.387 3.493 -0.354) 3.532 8.760 ( -5.899 -7.690 1.775) 9.853 8.916 ( 3.992 -0.215 0.410) 4.019 9.346 ( -3.211 -5.488 -3.382) 7.202 10.353 ( -0.851 -1.120 1.509) 2.063 10.790 ( -0.334 0.856 -1.438) 1.707 12.694 ( 3.660 4.567 9.211) 10.913 12.791 ( -1.647 8.749 0.096) 8.903 13.050 ( 2.142 2.638 0.432) 3.426 13.259 ( -2.044 -4.195 0.582) 4.703 13.353 ( -1.523 -1.232 -1.831) 2.682 13.592 ( 0.114 1.176 -2.564) 2.823 13.810 ( -10.732 -10.359 6.034) 16.091 14.147 ( 1.190 -2.802 0.341) 3.063 14.351 ( 4.178 7.221 -4.865) 9.657 15.632 ( 2.411 -1.447 0.003) 2.811 16.513 ( 0.885 -0.017 -1.882) 2.080 16.538 ( -0.127 0.018 0.093) 0.159 17.883 ( -5.383 -2.184 0.795) 5.863 18.183 ( 6.196 4.024 0.038) 7.388 18.537 ( -1.045 -0.205 -0.629) 1.237 18.565 ( 1.347 0.146 -0.450) 1.428 19.049 ( -13.387 -6.468 1.212) 14.917 19.718 ( 1.850 0.945 -5.286) 5.680 19.761 ( 1.149 1.483 -3.597) 4.057 20.140 ( 17.335 25.143 10.311) 32.233 21.528 ( -0.695 -2.817 -1.022) 3.076 21.875 ( -1.511 3.875 -0.369) 4.175 22.224 ( -4.643 -9.588 -0.083) 10.653 23.003 ( 4.251 1.644 -0.586) 4.595 23.440 ( -4.667 3.023 -0.147) 5.563 23.788 ( 0.038 -3.560 0.266) 3.570 24.156 ( -9.826 -13.690 -5.191) 17.633 24.535 ( 7.709 0.066 2.675) 8.161 ======================= Grid point 11 (8/128) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -33.763 1.148 5.973) 34.307 1.617 ( 3.988 6.276 0.301) 7.442 1.807 ( 5.989 3.980 -4.713) 8.598 1.901 ( 5.878 -15.863 3.296) 17.235 2.124 ( -3.334 -6.529 -1.397) 7.463 2.358 ( 7.190 0.643 9.096) 11.612 2.557 ( -9.048 -4.273 -15.738) 18.650 2.901 ( 2.700 1.980 0.080) 3.349 2.944 ( -0.452 -3.880 -4.406) 5.889 2.989 ( -3.666 0.717 4.352) 5.735 3.271 ( 7.456 3.197 6.783) 10.574 3.363 ( 7.051 -10.539 -0.169) 12.681 3.453 ( 7.569 3.670 4.553) 9.565 3.608 ( -1.825 -4.470 0.116) 4.829 3.713 ( 2.729 17.143 -2.177) 17.494 3.812 ( -2.214 7.921 -1.218) 8.315 3.929 ( 9.448 2.803 3.602) 10.493 4.243 ( -2.847 2.188 -0.492) 3.624 4.432 ( -1.493 0.884 0.881) 1.946 4.501 ( 2.738 -1.510 -0.826) 3.234 4.598 ( 1.271 -6.166 -0.108) 6.297 4.773 ( -6.393 5.619 -1.107) 8.583 4.984 ( -8.214 -0.839 -4.878) 9.590 5.384 ( -2.291 -3.874 2.124) 4.977 5.757 ( -3.838 2.378 0.404) 4.533 6.079 ( -8.218 3.544 0.188) 8.951 6.283 ( -2.015 -6.268 0.226) 6.588 6.413 ( 7.225 1.291 -3.617) 8.182 6.601 ( 3.291 0.808 -1.643) 3.766 6.764 ( 4.938 -4.654 -0.229) 6.789 6.949 ( -5.836 8.375 0.601) 10.226 7.209 ( 7.444 1.339 2.290) 7.903 7.345 ( -3.360 -4.240 2.447) 5.937 7.459 ( -2.667 -0.799 -1.296) 3.071 7.802 ( -0.429 2.232 -1.476) 2.710 8.133 ( -1.773 2.707 1.407) 3.529 8.256 ( 4.870 -3.183 3.942) 7.028 8.452 ( 1.855 -5.066 -3.037) 6.191 8.589 ( -0.115 3.924 -2.140) 4.471 8.776 ( -6.072 -3.077 0.948) 6.873 8.969 ( 3.725 -0.231 0.253) 3.741 9.388 ( -2.168 -4.334 -1.590) 5.100 10.377 ( 0.876 -1.637 1.441) 2.350 10.773 ( -0.717 0.103 -0.953) 1.197 12.638 ( -1.885 8.066 -1.025) 8.347 12.718 ( 2.895 0.270 3.964) 4.916 13.002 ( -2.227 2.713 -0.973) 3.642 13.303 ( -0.729 -3.405 0.682) 3.548 13.354 ( -1.104 -0.315 -1.137) 1.616 13.596 ( 3.794 -0.575 -4.665) 6.040 13.870 ( -9.880 -8.929 7.676) 15.371 14.195 ( 0.856 -1.701 0.174) 1.912 14.271 ( 3.890 6.374 -3.491) 8.243 15.681 ( 3.685 -0.713 0.820) 3.842 16.514 ( 0.265 0.274 -0.822) 0.906 16.539 ( 0.163 -0.148 0.262) 0.342 17.856 ( -5.989 -2.211 0.756) 6.429 18.226 ( 10.604 1.976 0.362) 10.793 18.530 ( -0.895 -0.451 -0.554) 1.145 18.574 ( 1.297 0.419 -0.521) 1.459 18.986 ( -17.148 -5.690 -0.124) 18.068 19.696 ( 3.433 3.906 -6.230) 8.115 19.745 ( 0.133 0.800 -0.636) 1.031 19.985 ( 8.197 16.661 6.982) 19.838 21.554 ( -1.175 -1.779 -0.491) 2.188 21.824 ( -0.039 1.002 -0.021) 1.003 22.312 ( -0.835 -6.306 0.030) 6.361 22.988 ( 0.791 4.328 -0.055) 4.400 23.402 ( -1.213 -2.494 -0.252) 2.785 23.848 ( 2.411 -2.297 1.339) 3.589 24.209 ( -8.384 -7.943 -4.054) 12.240 24.619 ( 7.583 0.328 2.876) 8.117 ======================= Grid point 12 (9/128) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -31.687 0.964 2.613) 31.809 1.262 ( -5.940 23.732 -5.707) 25.121 2.018 ( 14.435 -3.348 -3.283) 15.178 2.161 ( 0.421 -3.747 1.723) 4.146 2.190 ( 7.399 -7.302 2.385) 10.666 2.365 ( 0.580 4.463 3.302) 5.582 2.493 ( -12.661 -3.421 -4.902) 14.001 2.687 ( -1.137 28.212 -1.913) 28.300 2.937 ( -3.106 0.949 1.523) 3.587 3.061 ( 3.005 -3.456 -4.962) 6.752 3.172 ( -0.841 10.340 1.725) 10.517 3.376 ( 9.484 -0.012 10.117) 13.867 3.433 ( 3.269 3.181 0.932) 4.655 3.592 ( -3.748 -4.945 -3.056) 6.917 3.725 ( -0.416 -3.220 -2.587) 4.151 3.761 ( -1.361 3.621 -0.332) 3.883 4.078 ( 12.013 1.780 2.470) 12.393 4.248 ( -0.677 -7.446 -0.063) 7.477 4.340 ( -6.056 3.659 0.579) 7.099 4.515 ( -1.311 8.179 1.876) 8.493 4.555 ( 3.003 -1.194 -2.591) 4.142 4.908 ( -0.042 -16.668 -1.294) 16.718 4.956 ( -7.254 -9.139 -2.310) 11.894 5.461 ( 0.147 -6.325 2.346) 6.748 5.660 ( -3.914 4.872 -0.582) 6.277 5.891 ( -6.251 8.827 -0.960) 10.859 6.387 ( -0.040 -2.298 -0.209) 2.308 6.421 ( 2.623 2.087 -1.226) 3.569 6.567 ( 0.900 3.636 0.613) 3.795 6.639 ( -1.149 10.971 1.024) 11.079 7.055 ( 1.782 -14.363 -1.128) 14.517 7.273 ( 2.038 0.222 0.750) 2.183 7.421 ( 3.512 -3.634 -3.572) 6.189 7.482 ( -0.992 -7.528 3.869) 8.522 7.754 ( -2.048 1.138 -1.437) 2.749 8.034 ( -2.766 6.951 1.225) 7.580 8.378 ( 6.504 -2.630 5.524) 8.930 8.515 ( 4.546 4.771 -1.828) 6.839 8.529 ( -4.426 -3.870 -4.135) 7.188 8.753 ( -4.650 -1.615 0.832) 4.993 8.987 ( 2.696 2.337 -0.470) 3.598 9.412 ( -1.015 -1.089 -0.274) 1.513 10.428 ( 2.122 -2.293 1.252) 3.365 10.773 ( -0.620 -1.346 -0.310) 1.513 12.489 ( -3.007 7.101 -3.718) 8.561 12.765 ( 1.421 -1.782 1.646) 2.811 12.956 ( -2.205 -1.091 -0.220) 2.469 13.321 ( -0.161 2.140 -0.938) 2.342 13.349 ( -0.725 -1.953 0.693) 2.195 13.643 ( 4.066 -0.764 -3.933) 5.708 13.907 ( -6.359 -4.543 4.913) 9.231 14.193 ( -0.296 1.108 0.075) 1.149 14.265 ( 3.194 -0.729 -0.960) 3.414 15.733 ( 4.094 -0.299 1.095) 4.248 16.508 ( -0.110 0.422 0.057) 0.440 16.544 ( 0.213 -0.052 0.249) 0.332 17.839 ( -4.368 -2.760 0.420) 5.184 18.345 ( 15.770 0.773 1.905) 15.903 18.528 ( -0.662 -0.518 -0.666) 1.072 18.577 ( 1.416 0.791 -0.525) 1.705 18.852 ( -23.688 -4.633 -2.309) 24.247 19.612 ( 3.005 10.944 -2.471) 11.615 19.733 ( -0.220 0.619 0.234) 0.698 19.859 ( 1.555 7.024 1.594) 7.368 21.548 ( -0.764 0.950 0.047) 1.219 21.851 ( 0.497 -3.731 0.029) 3.764 22.407 ( 1.999 -5.343 0.165) 5.707 22.900 ( -1.804 5.767 0.026) 6.042 23.466 ( 0.703 -5.172 -0.261) 5.226 23.910 ( 3.698 -0.728 1.618) 4.101 24.214 ( -5.924 -4.218 -2.493) 7.688 24.703 ( 7.261 -0.316 2.797) 7.788 ======================= Grid point 13 (10/128) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -0.000 5.994 0.000) 5.994 0.831 ( -0.000 26.589 0.000) 26.589 1.763 ( -0.000 49.289 0.000) 49.289 2.125 ( -0.000 8.352 0.000) 8.352 2.288 ( -0.000 0.957 0.000) 0.957 2.339 ( 0.000 -2.774 -0.000) 2.774 2.400 ( 0.000 -0.009 -0.000) 0.009 2.490 ( 0.000 -5.752 -0.000) 5.752 2.929 ( 0.000 -1.882 -0.000) 1.882 3.089 ( 0.000 -1.728 -0.000) 1.728 3.161 ( 0.000 -0.674 -0.000) 0.674 3.357 ( -0.000 5.447 0.000) 5.447 3.551 ( -0.000 0.733 0.000) 0.733 3.591 ( 0.000 -6.176 -0.000) 6.176 3.718 ( 0.000 -3.465 -0.000) 3.465 3.761 ( 0.000 -1.021 -0.000) 1.021 4.072 ( -0.000 7.811 0.000) 7.811 4.159 ( -0.000 3.860 0.000) 3.860 4.404 ( -0.000 6.037 0.000) 6.037 4.524 ( 0.000 -20.553 -0.000) 20.553 4.555 ( -0.000 3.806 0.000) 3.806 5.049 ( 0.000 -11.049 -0.000) 11.049 5.191 ( 0.000 -16.781 -0.000) 16.781 5.533 ( -0.000 8.207 0.000) 8.207 5.559 ( 0.000 -4.698 -0.000) 4.698 5.712 ( -0.000 9.239 0.000) 9.239 6.180 ( -0.000 22.275 0.000) 22.275 6.403 ( -0.000 1.260 0.000) 1.260 6.545 ( -0.000 0.027 0.000) 0.027 6.696 ( 0.000 -11.597 -0.000) 11.597 7.227 ( -0.000 4.241 0.000) 4.241 7.272 ( 0.000 -10.804 -0.000) 10.804 7.546 ( 0.000 -8.756 -0.000) 8.756 7.587 ( 0.000 -3.960 -0.000) 3.960 7.773 ( 0.000 -6.698 -0.000) 6.698 7.894 ( -0.000 8.295 0.000) 8.295 8.407 ( -0.000 7.847 0.000) 7.847 8.477 ( -0.000 2.012 0.000) 2.012 8.554 ( 0.000 -4.810 -0.000) 4.810 8.756 ( 0.000 -1.996 -0.000) 1.996 8.952 ( -0.000 4.190 0.000) 4.190 9.399 ( -0.000 1.674 0.000) 1.674 10.484 ( 0.000 -2.449 -0.000) 2.449 10.796 ( 0.000 -1.905 -0.000) 1.905 12.355 ( -0.000 6.041 0.000) 6.041 12.803 ( 0.000 -2.377 -0.000) 2.377 12.994 ( 0.000 -4.689 -0.000) 4.689 13.276 ( -0.000 3.094 0.000) 3.094 13.360 ( -0.000 0.437 0.000) 0.437 13.666 ( 0.000 -0.161 -0.000) 0.161 13.909 ( -0.000 0.249 0.000) 0.249 14.194 ( 0.000 -1.050 -0.000) 1.050 14.315 ( 0.000 -3.239 -0.000) 3.239 15.768 ( 0.000 -0.249 -0.000) 0.249 16.501 ( -0.000 0.384 0.000) 0.384 16.545 ( -0.000 0.133 0.000) 0.133 17.857 ( 0.000 -2.838 -0.000) 2.838 18.513 ( -0.000 0.137 0.000) 0.137 18.550 ( 0.000 -3.378 -0.000) 3.378 18.583 ( -0.000 4.340 0.000) 4.340 18.634 ( 0.000 -2.671 -0.000) 2.671 19.432 ( -0.000 12.814 0.000) 12.814 19.725 ( -0.000 0.332 0.000) 0.332 19.812 ( -0.000 1.357 0.000) 1.357 21.521 ( -0.000 1.753 0.000) 1.753 21.926 ( 0.000 -5.203 -0.000) 5.203 22.506 ( 0.000 -4.969 -0.000) 4.969 22.796 ( -0.000 5.558 0.000) 5.558 23.546 ( 0.000 -4.552 -0.000) 4.552 23.938 ( -0.000 0.568 0.000) 0.568 24.219 ( 0.000 -1.695 -0.000) 1.695 24.779 ( 0.000 -1.913 -0.000) 1.913 ======================= Grid point 16 (11/128) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 18.519 0.000 9.493) 20.811 1.101 ( 15.333 0.000 13.749) 20.595 1.453 ( -27.140 -0.000 6.139) 27.826 1.802 ( -6.097 -0.000 -2.674) 6.658 2.245 ( 39.008 0.000 15.354) 41.921 2.401 ( -2.747 -0.000 6.334) 6.904 2.554 ( -1.165 -0.000 -2.309) 2.586 2.561 ( 7.537 0.000 1.091) 7.616 2.706 ( -16.720 -0.000 -18.121) 24.656 2.879 ( -10.966 -0.000 -5.512) 12.273 3.073 ( 0.465 0.000 -1.855) 1.913 3.340 ( 5.952 0.000 -0.707) 5.994 3.449 ( 4.579 0.000 1.944) 4.974 3.518 ( 5.182 0.000 1.268) 5.335 3.608 ( 1.389 0.000 -1.587) 2.109 4.051 ( 3.666 0.000 5.421) 6.544 4.140 ( -2.238 -0.000 -2.879) 3.646 4.284 ( 2.387 0.000 2.127) 3.197 4.418 ( 4.402 0.000 9.296) 10.285 4.512 ( 2.220 0.000 -3.833) 4.429 5.037 ( -0.936 -0.000 -4.482) 4.578 5.160 ( -13.392 -0.000 -7.462) 15.331 5.220 ( -10.623 -0.000 -3.632) 11.227 5.536 ( 0.552 0.000 -0.841) 1.006 5.588 ( 6.863 0.000 1.415) 7.008 5.996 ( 6.340 0.000 4.921) 8.026 6.043 ( -8.132 -0.000 4.196) 9.150 6.318 ( -5.583 -0.000 -1.141) 5.699 6.477 ( 10.446 0.000 -5.354) 11.738 7.013 ( 0.541 0.000 0.514) 0.746 7.081 ( 3.754 0.000 -5.566) 6.714 7.294 ( -2.600 -0.000 0.764) 2.710 7.405 ( -15.173 -0.000 3.971) 15.684 7.505 ( -2.366 -0.000 3.506) 4.230 7.891 ( 3.914 0.000 -2.083) 4.434 8.026 ( 4.609 0.000 -2.408) 5.200 8.172 ( 1.027 0.000 -3.518) 3.665 8.330 ( -0.650 -0.000 3.505) 3.565 8.491 ( -1.584 -0.000 2.990) 3.384 8.720 ( 0.128 0.000 0.214) 0.249 8.926 ( 1.827 0.000 -0.490) 1.892 9.228 ( -3.595 -0.000 -4.349) 5.643 10.331 ( -0.824 -0.000 2.695) 2.818 10.810 ( 0.136 0.000 -1.744) 1.749 12.839 ( 4.137 0.000 -0.367) 4.153 13.022 ( -5.295 -0.000 24.656) 25.218 13.074 ( -1.571 -0.000 0.330) 1.605 13.150 ( -0.951 -0.000 -6.059) 6.133 13.391 ( -0.197 -0.000 5.086) 5.090 13.524 ( -9.898 -0.000 -2.181) 10.136 13.616 ( -1.320 -0.000 -3.300) 3.555 14.087 ( 1.977 0.000 0.975) 2.205 14.480 ( 3.403 0.000 -5.088) 6.121 15.598 ( 3.694 0.000 0.021) 3.694 16.513 ( 1.246 0.000 -3.216) 3.449 16.538 ( -0.211 -0.000 0.046) 0.216 17.850 ( -2.259 -0.000 1.122) 2.522 18.271 ( 1.621 0.000 0.711) 1.770 18.536 ( -1.442 -0.000 -1.019) 1.766 18.569 ( 1.337 0.000 -0.504) 1.428 18.920 ( -9.517 -0.000 0.911) 9.561 19.722 ( 0.576 0.000 -2.007) 2.089 19.784 ( 0.185 0.000 -1.961) 1.970 20.947 ( 1.566 0.000 1.581) 2.226 21.451 ( -1.110 -0.000 -0.412) 1.184 21.792 ( 3.546 0.000 -0.344) 3.563 21.992 ( -1.894 -0.000 0.542) 1.970 23.028 ( 1.177 0.000 -3.198) 3.407 23.607 ( -1.066 -0.000 1.547) 1.878 23.702 ( -4.422 -0.000 -2.168) 4.925 23.734 ( 1.294 0.000 -1.508) 1.987 24.528 ( 6.997 0.000 2.171) 7.326 ======================= Grid point 17 (12/128) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -29.270 2.514 6.587) 30.107 1.265 ( 8.938 -19.125 7.300) 22.337 1.480 ( 17.305 -4.052 13.547) 22.347 1.779 ( -7.978 -7.795 -4.925) 12.193 2.267 ( -4.815 12.078 2.466) 13.234 2.454 ( 0.466 2.174 -1.059) 2.463 2.467 ( -5.259 -0.929 -13.200) 14.239 2.708 ( 3.806 -7.902 0.535) 8.787 2.795 ( 2.053 -7.489 -0.470) 7.780 2.875 ( 14.236 -7.343 3.738) 16.449 3.078 ( 2.529 -0.783 1.543) 3.064 3.365 ( 8.162 3.716 -1.833) 9.153 3.470 ( 1.885 2.824 2.961) 4.505 3.561 ( 5.182 -0.934 2.034) 5.645 3.731 ( -0.121 -9.291 -0.691) 9.318 3.935 ( 2.129 9.224 -1.422) 9.573 4.204 ( 2.810 -2.943 1.757) 4.433 4.370 ( 0.511 -5.865 1.959) 6.205 4.443 ( -1.050 2.930 9.475) 9.973 4.527 ( 5.479 0.888 -5.711) 7.964 4.820 ( -1.966 22.094 -3.225) 22.415 4.983 ( -11.720 3.861 -5.660) 13.576 5.082 ( -12.005 3.720 -6.521) 14.159 5.368 ( 0.691 5.770 1.283) 5.952 5.857 ( -1.302 1.045 3.666) 4.028 5.943 ( -1.834 -9.474 3.227) 10.176 6.143 ( 1.990 -10.820 0.903) 11.038 6.243 ( -6.989 0.108 -1.992) 7.268 6.553 ( 11.799 2.875 -6.115) 13.596 6.969 ( 3.922 8.573 -1.224) 9.506 7.104 ( 3.768 0.389 -3.906) 5.442 7.224 ( -9.888 0.414 2.131) 10.124 7.333 ( -6.728 -2.832 7.217) 10.264 7.460 ( -2.042 2.807 0.249) 3.480 7.900 ( 2.940 3.054 -1.553) 4.514 8.081 ( 0.559 -3.673 -0.405) 3.738 8.199 ( 3.928 -0.379 0.667) 4.002 8.333 ( 2.630 -1.194 -1.646) 3.325 8.557 ( -5.951 -8.624 2.542) 10.782 8.704 ( 0.022 1.731 -0.161) 1.739 8.945 ( 2.143 -0.361 0.113) 2.176 9.216 ( -3.278 -4.389 -3.756) 6.642 10.335 ( -0.701 -0.834 2.061) 2.331 10.800 ( 0.145 0.981 -1.398) 1.715 12.825 ( 3.133 5.378 2.144) 6.583 12.919 ( -2.891 9.179 5.788) 11.230 13.118 ( 2.390 -0.940 6.979) 7.437 13.167 ( -2.850 -3.755 -1.604) 4.979 13.310 ( -3.118 2.180 -4.349) 5.778 13.562 ( -5.868 -8.180 3.787) 10.755 13.598 ( -1.223 -1.874 -2.257) 3.178 14.124 ( 1.340 -1.948 0.714) 2.470 14.464 ( 2.511 4.312 -3.691) 6.207 15.643 ( 3.033 -1.151 0.121) 3.246 16.518 ( 0.984 -0.020 -2.141) 2.356 16.536 ( -0.310 -0.027 0.361) 0.476 17.830 ( -2.564 0.120 0.912) 2.724 18.277 ( 3.138 1.396 0.569) 3.481 18.519 ( -1.261 -0.184 -0.984) 1.610 18.581 ( 1.302 0.084 -0.474) 1.388 18.857 ( -9.078 -3.002 0.603) 9.581 19.723 ( 0.496 -0.034 -1.695) 1.767 19.776 ( 0.208 0.707 -1.599) 1.761 20.720 ( 7.689 25.791 3.241) 27.107 21.469 ( -1.504 -2.687 -0.990) 3.234 21.898 ( -0.094 -0.853 -0.946) 1.277 22.016 ( -2.133 -9.791 0.861) 10.057 23.042 ( 1.765 -0.962 -1.359) 2.426 23.474 ( -2.939 7.965 -0.149) 8.491 23.739 ( 1.057 -3.848 1.165) 4.157 23.858 ( -3.834 -13.081 -3.340) 14.034 24.603 ( 5.337 -0.659 1.691) 5.637 ======================= Grid point 18 (13/128) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -28.595 3.577 4.250) 29.130 1.643 ( 4.516 -16.665 7.292) 18.743 1.769 ( 10.424 -4.977 6.843) 13.426 1.846 ( -1.027 -9.052 -2.892) 9.558 2.013 ( -3.912 9.441 -2.793) 10.594 2.321 ( -11.643 -4.082 -13.130) 18.017 2.553 ( 10.531 2.694 5.229) 12.062 2.818 ( -8.380 -6.420 -4.299) 11.399 2.870 ( 2.015 -8.207 2.202) 8.733 2.991 ( 0.849 1.876 -1.287) 2.428 3.299 ( 11.065 -6.433 3.745) 13.336 3.403 ( 7.064 1.485 -1.051) 7.294 3.487 ( -1.494 -4.826 2.363) 5.578 3.612 ( 6.474 2.409 5.010) 8.533 3.757 ( -2.718 -0.775 -2.056) 3.495 4.015 ( 11.822 -5.306 1.570) 13.053 4.221 ( 0.472 6.753 0.721) 6.807 4.325 ( -3.474 30.728 -1.151) 30.945 4.428 ( 0.781 -0.984 4.065) 4.254 4.493 ( 0.039 -5.766 -0.301) 5.774 4.540 ( 3.091 3.270 -1.484) 4.738 4.761 ( -12.378 2.993 -4.483) 13.501 4.893 ( -8.293 5.813 -4.405) 11.044 5.348 ( 0.430 -0.674 1.296) 1.522 5.761 ( -3.170 3.561 1.201) 4.917 6.042 ( -2.471 -0.979 2.113) 3.395 6.169 ( -4.517 -3.467 -1.395) 5.863 6.404 ( 2.928 -13.447 -0.653) 13.778 6.606 ( 7.532 1.268 -4.768) 9.004 6.851 ( 2.163 9.277 0.152) 9.527 7.055 ( -1.683 6.754 0.515) 6.980 7.221 ( -1.421 -5.652 -0.971) 5.908 7.315 ( -0.073 1.668 8.216) 8.384 7.405 ( -3.280 -0.022 -3.521) 4.812 7.851 ( 0.278 4.606 -1.006) 4.723 8.140 ( 0.268 -2.370 0.597) 2.458 8.274 ( 4.988 -2.475 3.266) 6.455 8.376 ( -0.227 -2.446 -2.928) 3.822 8.610 ( -2.799 -5.046 -1.302) 5.916 8.679 ( -1.571 0.872 0.944) 2.029 8.985 ( 1.880 -1.546 0.605) 2.508 9.266 ( -2.093 -6.766 -2.038) 7.369 10.356 ( 0.008 -1.916 1.158) 2.239 10.777 ( -0.198 1.409 -0.815) 1.640 12.754 ( -0.782 8.167 -1.069) 8.274 12.802 ( 2.180 5.103 5.418) 7.756 13.048 ( -2.210 6.986 -1.240) 7.432 13.232 ( -0.149 -4.840 2.001) 5.239 13.316 ( -0.463 -3.789 -3.094) 4.914 13.595 ( 1.812 -2.442 -4.646) 5.553 13.665 ( -5.758 -8.074 6.660) 11.946 14.171 ( 0.598 -2.451 0.271) 2.537 14.392 ( 1.484 6.478 -1.954) 6.927 15.694 ( 2.132 -1.799 0.329) 2.809 16.519 ( 0.380 0.247 -0.956) 1.058 16.537 ( -0.020 -0.303 0.273) 0.409 17.800 ( -2.385 0.296 0.521) 2.459 18.322 ( 5.561 -1.244 0.579) 5.728 18.511 ( -1.010 -0.457 -0.780) 1.356 18.591 ( 1.295 0.050 -0.646) 1.448 18.797 ( -8.977 -0.924 0.400) 9.033 19.722 ( 0.424 0.274 -1.362) 1.452 19.760 ( 0.169 1.045 -0.931) 1.410 20.418 ( 5.940 24.771 2.696) 25.616 21.498 ( -1.080 -3.282 -0.613) 3.510 21.856 ( -0.267 3.132 -0.126) 3.146 22.168 ( -1.132 -10.467 0.109) 10.528 23.060 ( 1.425 2.003 -0.237) 2.470 23.365 ( -1.916 1.646 -0.181) 2.532 23.824 ( 2.068 -4.307 1.414) 4.982 23.986 ( -4.482 -10.590 -2.793) 11.833 24.668 ( 3.291 -1.387 1.126) 3.745 ======================= Grid point 19 (14/128) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -0.000 2.952 0.000) 2.952 1.579 ( -0.000 21.346 0.000) 21.346 1.940 ( 0.000 -14.908 -0.000) 14.908 2.059 ( 0.000 -12.195 -0.000) 12.195 2.059 ( 0.000 -9.490 -0.000) 9.490 2.304 ( 0.000 -5.800 -0.000) 5.800 2.522 ( -0.000 9.544 0.000) 9.544 2.847 ( 0.000 -3.207 -0.000) 3.207 2.945 ( -0.000 1.801 0.000) 1.801 3.014 ( 0.000 -5.780 -0.000) 5.780 3.396 ( 0.000 -3.741 -0.000) 3.741 3.463 ( 0.000 -1.851 -0.000) 1.851 3.472 ( -0.000 10.505 0.000) 10.505 3.697 ( -0.000 24.005 0.000) 24.005 3.727 ( -0.000 7.006 0.000) 7.006 3.730 ( 0.000 -1.207 -0.000) 1.207 4.161 ( 0.000 -0.341 -0.000) 0.341 4.192 ( 0.000 -1.652 -0.000) 1.652 4.403 ( -0.000 5.820 0.000) 5.820 4.533 ( 0.000 -1.626 -0.000) 1.626 4.645 ( -0.000 7.726 0.000) 7.726 4.669 ( 0.000 -14.355 -0.000) 14.355 4.771 ( 0.000 -3.718 -0.000) 3.718 5.388 ( 0.000 -3.743 -0.000) 3.743 5.698 ( -0.000 2.988 0.000) 2.988 5.973 ( -0.000 5.967 0.000) 5.967 6.257 ( 0.000 -9.309 -0.000) 9.309 6.484 ( -0.000 2.843 0.000) 2.843 6.637 ( -0.000 3.157 0.000) 3.157 6.848 ( 0.000 -10.548 -0.000) 10.548 6.874 ( -0.000 15.227 0.000) 15.227 7.297 ( 0.000 -2.448 -0.000) 2.448 7.344 ( 0.000 -3.928 -0.000) 3.928 7.396 ( 0.000 -3.367 -0.000) 3.367 7.781 ( -0.000 3.897 0.000) 3.897 8.123 ( -0.000 4.825 0.000) 4.825 8.384 ( 0.000 -3.958 -0.000) 3.958 8.401 ( 0.000 -5.464 -0.000) 5.464 8.616 ( -0.000 4.551 0.000) 4.551 8.682 ( 0.000 -4.113 -0.000) 4.113 9.013 ( 0.000 -0.327 -0.000) 0.327 9.353 ( 0.000 -5.600 -0.000) 5.600 10.396 ( 0.000 -2.849 -0.000) 2.849 10.759 ( -0.000 0.273 0.000) 0.273 12.607 ( -0.000 9.643 0.000) 9.643 12.778 ( -0.000 1.464 0.000) 1.464 12.950 ( -0.000 2.853 0.000) 2.853 13.300 ( 0.000 -3.858 -0.000) 3.858 13.338 ( -0.000 0.120 0.000) 0.120 13.644 ( 0.000 -1.890 -0.000) 1.890 13.765 ( 0.000 -8.721 -0.000) 8.721 14.203 ( 0.000 -0.869 -0.000) 0.869 14.305 ( -0.000 4.735 0.000) 4.735 15.736 ( 0.000 -1.814 -0.000) 1.814 16.514 ( -0.000 0.423 0.000) 0.423 16.543 ( 0.000 -0.290 -0.000) 0.290 17.790 ( 0.000 -0.968 -0.000) 0.968 18.412 ( 0.000 -4.250 -0.000) 4.250 18.507 ( 0.000 -0.311 -0.000) 0.311 18.604 ( 0.000 -0.396 -0.000) 0.396 18.713 ( -0.000 3.157 0.000) 3.157 19.709 ( -0.000 2.037 0.000) 2.037 19.744 ( -0.000 0.934 0.000) 0.934 20.101 ( -0.000 20.728 0.000) 20.728 21.535 ( 0.000 -2.045 -0.000) 2.045 21.825 ( -0.000 0.313 0.000) 0.313 22.305 ( 0.000 -8.297 -0.000) 8.297 22.994 ( -0.000 6.584 0.000) 6.584 23.389 ( 0.000 -4.654 -0.000) 4.654 23.901 ( 0.000 -3.316 -0.000) 3.316 24.089 ( 0.000 -7.299 -0.000) 7.299 24.715 ( 0.000 -2.018 -0.000) 2.018 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -27.844 -0.000 4.381) 28.187 1.289 ( 15.963 0.000 7.664) 17.708 1.606 ( -10.843 -0.000 -5.044) 11.959 1.679 ( 17.154 0.000 14.890) 22.715 2.249 ( -14.710 -0.000 -18.388) 23.547 2.348 ( -3.159 -0.000 4.351) 5.377 2.454 ( -0.336 -0.000 -0.878) 0.940 2.651 ( -1.760 -0.000 -2.449) 3.016 2.710 ( -0.265 -0.000 0.739) 0.785 3.032 ( 3.956 0.000 -2.340) 4.596 3.214 ( 23.841 0.000 12.389) 26.868 3.489 ( 7.327 0.000 -2.207) 7.652 3.517 ( 0.844 0.000 -0.226) 0.874 3.605 ( -1.944 -0.000 0.902) 2.143 3.622 ( 4.947 0.000 1.956) 5.319 4.008 ( -8.910 -0.000 -5.598) 10.522 4.136 ( 1.985 0.000 1.713) 2.621 4.373 ( 3.569 0.000 3.116) 4.738 4.471 ( -1.888 -0.000 4.149) 4.558 4.593 ( 5.992 0.000 -1.731) 6.237 4.820 ( -12.457 -0.000 -5.152) 13.480 4.936 ( -6.059 -0.000 -3.936) 7.225 5.058 ( -1.802 -0.000 -1.218) 2.175 5.538 ( 0.183 0.000 -0.597) 0.625 5.729 ( 4.707 0.000 0.976) 4.807 5.902 ( -4.944 -0.000 1.775) 5.253 6.067 ( -1.790 -0.000 3.260) 3.719 6.181 ( -3.289 -0.000 -1.656) 3.683 6.672 ( 8.627 0.000 -4.199) 9.595 7.089 ( -1.845 -0.000 -6.252) 6.518 7.103 ( 7.018 0.000 -2.155) 7.342 7.181 ( -6.153 -0.000 7.780) 9.920 7.227 ( -5.173 -0.000 2.787) 5.876 7.465 ( -1.783 -0.000 0.607) 1.884 7.950 ( 1.798 0.000 -0.552) 1.881 8.046 ( -0.104 -0.000 -0.850) 0.856 8.261 ( 5.908 0.000 -1.311) 6.052 8.330 ( -0.350 -0.000 1.199) 1.249 8.439 ( -3.879 -0.000 1.545) 4.175 8.715 ( -0.391 -0.000 0.088) 0.401 8.955 ( 0.891 0.000 -0.170) 0.907 9.148 ( -1.752 -0.000 -2.087) 2.725 10.326 ( -0.541 -0.000 1.188) 1.305 10.808 ( 0.279 0.000 -0.752) 0.803 12.906 ( 2.135 0.000 -0.638) 2.228 13.047 ( -1.018 -0.000 0.618) 1.191 13.049 ( -0.536 -0.000 7.385) 7.404 13.095 ( -2.516 -0.000 0.273) 2.530 13.363 ( -3.366 -0.000 -2.874) 4.426 13.414 ( 0.048 0.000 3.098) 3.099 13.575 ( -0.762 -0.000 -2.325) 2.446 14.122 ( 0.803 0.000 0.464) 0.927 14.509 ( 1.187 0.000 -1.923) 2.260 15.659 ( 1.705 0.000 0.040) 1.706 16.522 ( 0.820 0.000 -1.567) 1.769 16.533 ( -0.482 -0.000 0.620) 0.785 17.819 ( -0.965 -0.000 0.515) 1.093 18.303 ( 0.818 0.000 0.518) 0.968 18.503 ( -0.868 -0.000 -0.691) 1.109 18.591 ( 0.692 0.000 -0.206) 0.722 18.772 ( -4.049 -0.000 0.186) 4.053 19.723 ( 0.224 0.000 -0.742) 0.775 19.780 ( 0.062 0.000 -0.626) 0.629 20.976 ( 0.607 0.000 0.544) 0.815 21.432 ( -0.474 -0.000 -0.185) 0.509 21.867 ( 3.495 0.000 -0.478) 3.527 21.945 ( -2.746 -0.000 0.573) 2.806 23.033 ( 0.351 0.000 -0.883) 0.951 23.595 ( -0.474 -0.000 0.554) 0.729 23.629 ( -1.585 -0.000 -0.830) 1.789 23.749 ( 0.564 0.000 -0.537) 0.778 24.642 ( 2.739 0.000 0.837) 2.864 ======================= Grid point 25 (16/128) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.000 3.098 0.000) 3.098 1.518 ( 0.000 -6.969 -0.000) 6.969 1.568 ( 0.000 -13.216 -0.000) 13.216 1.848 ( 0.000 -3.229 -0.000) 3.229 2.111 ( -0.000 2.038 0.000) 2.038 2.236 ( -0.000 8.731 0.000) 8.731 2.560 ( 0.000 -12.335 -0.000) 12.335 2.665 ( 0.000 -0.981 -0.000) 0.981 2.763 ( 0.000 -6.708 -0.000) 6.708 3.028 ( -0.000 1.641 0.000) 1.641 3.369 ( -0.000 1.412 0.000) 1.412 3.443 ( -0.000 2.676 0.000) 2.676 3.496 ( -0.000 4.019 0.000) 4.019 3.671 ( 0.000 -3.856 -0.000) 3.856 3.683 ( 0.000 -1.430 -0.000) 1.430 3.981 ( 0.000 -7.834 -0.000) 7.834 4.186 ( 0.000 -3.290 -0.000) 3.290 4.414 ( 0.000 -2.252 -0.000) 2.252 4.446 ( -0.000 1.658 0.000) 1.658 4.597 ( -0.000 4.784 0.000) 4.784 4.706 ( -0.000 3.080 0.000) 3.080 4.861 ( -0.000 24.983 0.000) 24.983 4.897 ( -0.000 0.669 0.000) 0.669 5.383 ( -0.000 6.547 0.000) 6.547 5.821 ( -0.000 5.798 0.000) 5.798 5.970 ( 0.000 -12.214 -0.000) 12.214 6.081 ( 0.000 -2.928 -0.000) 2.928 6.213 ( 0.000 -8.609 -0.000) 8.609 6.691 ( -0.000 3.041 0.000) 3.041 7.024 ( -0.000 10.920 0.000) 10.920 7.075 ( 0.000 -1.193 -0.000) 1.193 7.166 ( 0.000 -0.926 -0.000) 0.926 7.276 ( 0.000 -5.287 -0.000) 5.287 7.428 ( -0.000 3.463 0.000) 3.463 7.924 ( -0.000 4.160 0.000) 4.160 8.081 ( 0.000 -4.235 -0.000) 4.235 8.269 ( 0.000 -0.820 -0.000) 0.820 8.395 ( -0.000 2.389 0.000) 2.389 8.448 ( 0.000 -10.057 -0.000) 10.057 8.704 ( -0.000 1.174 0.000) 1.174 8.971 ( 0.000 -1.366 -0.000) 1.366 9.166 ( 0.000 -3.976 -0.000) 3.976 10.333 ( 0.000 -1.126 -0.000) 1.126 10.798 ( -0.000 1.309 0.000) 1.309 12.860 ( -0.000 6.192 0.000) 6.192 12.917 ( -0.000 7.646 0.000) 7.646 13.106 ( 0.000 -0.840 -0.000) 0.840 13.200 ( 0.000 -9.158 -0.000) 9.158 13.232 ( -0.000 6.634 0.000) 6.634 13.516 ( 0.000 -6.861 -0.000) 6.861 13.581 ( 0.000 -2.054 -0.000) 2.054 14.141 ( 0.000 -1.744 -0.000) 1.744 14.480 ( -0.000 4.119 0.000) 4.119 15.679 ( 0.000 -1.385 -0.000) 1.385 16.523 ( -0.000 0.156 0.000) 0.156 16.532 ( 0.000 -0.268 -0.000) 0.268 17.804 ( -0.000 1.194 0.000) 1.194 18.320 ( 0.000 -1.620 -0.000) 1.620 18.499 ( 0.000 -0.165 -0.000) 0.165 18.595 ( 0.000 -0.158 -0.000) 0.158 18.753 ( 0.000 -0.089 -0.000) 0.089 19.723 ( 0.000 -0.042 -0.000) 0.042 19.773 ( -0.000 0.699 0.000) 0.699 20.805 ( -0.000 20.072 0.000) 20.072 21.447 ( 0.000 -2.194 -0.000) 2.194 21.903 ( -0.000 2.718 0.000) 2.718 21.993 ( 0.000 -10.905 -0.000) 10.905 23.056 ( 0.000 -2.321 -0.000) 2.321 23.443 ( -0.000 9.163 0.000) 9.163 23.777 ( 0.000 -3.277 -0.000) 3.277 23.788 ( 0.000 -11.715 -0.000) 11.715 24.666 ( 0.000 -1.010 -0.000) 1.010 ======================= Grid point 51 (17/128) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.845 0.000 27.071) 27.084 0.556 ( 6.031 0.000 27.757) 28.405 1.164 ( -0.305 -0.000 56.894) 56.895 1.959 ( -1.640 -0.000 4.849) 5.119 2.346 ( -0.078 -0.000 2.156) 2.157 2.415 ( 2.797 0.000 1.382) 3.120 2.569 ( 1.813 0.000 9.074) 9.253 2.645 ( -2.140 -0.000 11.811) 12.004 3.105 ( -7.106 -0.000 -3.132) 7.765 3.201 ( -3.741 -0.000 -5.240) 6.439 3.218 ( -1.317 -0.000 9.813) 9.901 3.310 ( 0.127 0.000 -6.456) 6.457 3.491 ( -0.076 -0.000 0.241) 0.253 3.666 ( -18.462 -0.000 -8.485) 20.318 3.916 ( -1.066 -0.000 14.026) 14.066 3.990 ( 2.925 0.000 4.063) 5.006 4.152 ( 1.565 0.000 -6.679) 6.860 4.166 ( 1.733 0.000 -3.617) 4.010 4.458 ( -5.963 -0.000 17.252) 18.254 4.599 ( 3.127 0.000 14.511) 14.844 5.062 ( -3.473 -0.000 -11.438) 11.954 5.113 ( 3.451 0.000 -1.670) 3.834 5.341 ( 10.834 0.000 -5.524) 12.160 5.487 ( 9.121 0.000 -4.457) 10.152 5.546 ( -3.936 -0.000 -0.019) 3.936 5.563 ( -2.033 -0.000 2.956) 3.588 5.605 ( -2.102 -0.000 6.762) 7.081 6.418 ( -0.511 -0.000 0.068) 0.515 6.482 ( -1.166 -0.000 7.711) 7.798 7.071 ( 3.873 0.000 1.476) 4.145 7.349 ( -0.003 -0.000 -4.193) 4.193 7.490 ( -14.001 -0.000 -4.415) 14.681 7.537 ( 6.199 0.000 -7.107) 9.431 7.744 ( -10.385 -0.000 5.699) 11.847 7.754 ( -2.513 -0.000 -4.649) 5.285 8.009 ( -1.037 -0.000 -4.583) 4.699 8.228 ( 10.697 0.000 3.455) 11.241 8.238 ( -3.610 -0.000 -6.077) 7.069 8.459 ( 3.275 0.000 2.671) 4.226 8.691 ( -0.440 -0.000 1.632) 1.690 8.887 ( -1.204 -0.000 8.379) 8.465 9.275 ( -0.880 -0.000 -8.001) 8.050 10.288 ( 3.041 0.000 -3.962) 4.994 10.747 ( 0.687 0.000 -8.277) 8.305 12.674 ( 1.642 0.000 -4.414) 4.709 12.747 ( 41.888 0.000 -1.670) 41.921 13.085 ( 0.539 0.000 -2.346) 2.407 13.217 ( 4.872 0.000 0.450) 4.893 13.424 ( 1.688 0.000 5.198) 5.465 13.698 ( -2.504 -0.000 2.508) 3.544 13.816 ( 2.062 0.000 -6.454) 6.776 13.992 ( -1.983 -0.000 -0.243) 1.998 14.460 ( -7.109 -0.000 6.032) 9.323 15.479 ( 0.262 0.000 -1.590) 1.612 16.595 ( -1.583 -0.000 5.302) 5.534 17.592 ( -50.186 -0.000 3.290) 50.294 17.876 ( 1.668 0.000 -3.456) 3.837 18.215 ( 0.544 0.000 -0.537) 0.764 18.544 ( -0.293 -0.000 1.376) 1.407 18.566 ( 36.726 0.000 -2.200) 36.792 18.581 ( -0.843 -0.000 -0.403) 0.934 19.174 ( 2.351 0.000 -2.363) 3.333 19.908 ( 0.942 0.000 10.396) 10.438 21.480 ( -0.200 -0.000 -1.130) 1.148 21.640 ( -14.855 -0.000 0.222) 14.857 21.697 ( 0.388 0.000 -0.947) 1.023 22.059 ( -0.675 -0.000 3.225) 3.295 22.694 ( -2.050 -0.000 -0.691) 2.164 23.625 ( 1.763 0.000 0.032) 1.764 23.719 ( -2.031 -0.000 1.098) 2.309 23.892 ( -3.164 -0.000 -2.481) 4.021 24.216 ( 4.174 0.000 -2.034) 4.643 ======================= Grid point 52 (18/128) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 16.158 -2.083 23.438) 28.544 0.976 ( 3.217 -29.928 19.072) 35.634 1.534 ( 13.799 -18.571 43.575) 49.336 1.990 ( -3.843 -4.682 2.287) 6.474 2.319 ( 0.190 3.679 2.262) 4.323 2.405 ( -9.138 0.089 7.442) 11.786 2.559 ( -1.094 3.986 5.883) 7.190 2.642 ( 1.317 2.005 12.118) 12.353 2.984 ( -4.419 3.313 -5.540) 7.823 3.142 ( 1.315 5.058 5.184) 7.360 3.182 ( -9.902 -3.634 -8.167) 13.340 3.380 ( -2.648 -1.066 4.719) 5.515 3.408 ( -10.040 -5.360 -7.205) 13.470 3.596 ( -4.457 -6.594 3.169) 8.567 3.843 ( -1.939 8.707 1.062) 8.983 3.909 ( -5.636 4.487 18.564) 19.913 4.119 ( 0.418 2.654 2.661) 3.782 4.313 ( 3.518 -8.743 -0.410) 9.434 4.369 ( -0.634 2.956 16.249) 16.528 4.591 ( -2.869 1.627 10.424) 10.933 4.774 ( -0.110 19.989 -7.014) 21.184 5.265 ( 0.441 8.890 -2.080) 9.141 5.319 ( 2.101 -0.665 -4.695) 5.187 5.511 ( 1.051 -2.024 -2.616) 3.471 5.570 ( 8.278 4.362 1.020) 9.412 5.660 ( 14.548 -7.123 -2.782) 16.436 5.799 ( 1.015 -15.533 0.281) 15.569 6.420 ( -1.869 -0.871 -1.755) 2.708 6.476 ( -5.510 -1.387 3.996) 6.946 7.007 ( -1.415 13.128 5.287) 14.224 7.222 ( -6.777 2.950 3.037) 7.991 7.345 ( -0.120 0.638 -5.217) 5.257 7.545 ( -3.292 2.877 -1.872) 4.756 7.629 ( 4.766 8.900 -7.084) 12.333 7.776 ( -5.722 -4.254 3.537) 7.960 7.948 ( 3.120 3.758 -3.918) 6.261 8.213 ( -2.614 -2.199 -2.988) 4.538 8.289 ( 0.379 -5.388 0.001) 5.402 8.616 ( 4.241 -3.102 -2.583) 5.855 8.779 ( -5.529 -12.512 2.144) 13.846 8.898 ( 1.822 2.616 6.836) 7.542 9.271 ( -1.018 -3.865 -8.954) 9.806 10.318 ( 1.287 -1.172 -5.415) 5.688 10.726 ( 0.954 0.509 -8.794) 8.860 12.663 ( 5.185 3.189 -1.091) 6.184 12.892 ( 12.217 11.386 -6.673) 17.984 13.043 ( 1.680 4.939 -0.839) 5.284 13.273 ( 4.280 2.680 1.712) 5.332 13.413 ( -2.238 1.815 5.990) 6.647 13.631 ( 0.493 1.210 -1.561) 2.036 13.852 ( 0.509 -2.577 -3.855) 4.665 14.118 ( -2.342 -11.688 -1.639) 12.032 14.385 ( -3.506 3.871 5.690) 7.724 15.528 ( 0.733 -4.488 -4.973) 6.738 16.594 ( -1.453 -0.049 5.405) 5.597 16.967 ( -30.694 11.617 25.340) 41.463 17.878 ( 2.488 0.769 -3.440) 4.314 18.231 ( -5.480 -1.281 -1.127) 5.740 18.546 ( -0.344 -0.136 1.343) 1.393 18.564 ( -0.747 0.352 -0.750) 1.115 18.889 ( 21.388 -0.883 -16.801) 27.212 19.273 ( 12.903 -1.187 -3.779) 13.498 19.944 ( -0.814 -0.403 12.067) 12.101 20.588 ( -4.711 45.649 35.702) 58.144 21.482 ( -0.089 -1.160 -1.637) 2.008 22.011 ( -2.477 2.314 1.875) 3.873 22.238 ( -10.089 -18.157 -11.154) 23.577 22.768 ( 8.481 -1.370 -2.909) 9.070 23.621 ( 0.042 3.203 1.398) 3.495 23.824 ( -7.309 -2.835 -4.054) 8.826 24.044 ( -7.000 -28.856 -15.913) 33.688 24.280 ( 7.887 -0.126 -1.031) 7.955 ======================= Grid point 53 (19/128) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 19.771 -0.068 17.446) 26.368 1.460 ( 4.332 -21.540 17.992) 28.398 1.931 ( -6.468 -3.190 2.471) 7.623 2.089 ( -0.581 -9.220 9.311) 13.116 2.228 ( -11.192 9.985 11.199) 18.718 2.308 ( 0.079 -5.726 9.997) 11.521 2.548 ( 2.017 -3.545 1.683) 4.412 2.718 ( 6.642 -2.895 5.718) 9.230 2.848 ( -11.320 -0.992 -11.370) 16.075 3.075 ( -1.456 -1.002 3.862) 4.248 3.180 ( 0.991 -1.505 6.488) 6.733 3.387 ( -0.998 1.683 9.791) 9.984 3.455 ( -9.258 -13.331 -0.042) 16.231 3.665 ( 1.284 1.314 0.274) 1.858 3.693 ( -2.437 3.240 10.221) 10.996 3.897 ( -2.904 -0.441 9.491) 9.936 4.083 ( 1.517 6.991 4.613) 8.512 4.392 ( -0.576 8.445 -2.467) 8.817 4.401 ( 2.182 -0.572 5.952) 6.365 4.498 ( 1.808 2.998 3.949) 5.277 4.597 ( -4.626 -1.512 7.981) 9.348 5.125 ( -1.043 8.231 -1.835) 8.497 5.186 ( -5.934 10.899 2.530) 12.665 5.482 ( -5.274 0.263 -0.311) 5.290 5.675 ( 14.813 1.645 -1.416) 14.971 5.912 ( 14.405 -5.476 -0.155) 15.412 6.095 ( 3.414 -20.453 -6.501) 21.731 6.384 ( -6.214 -0.651 -2.179) 6.617 6.440 ( -6.337 -2.303 -0.596) 6.769 6.799 ( -0.006 12.979 5.000) 13.909 7.139 ( -5.258 1.381 -1.470) 5.631 7.328 ( 2.816 8.226 -5.110) 10.085 7.396 ( -4.648 2.758 -1.388) 5.580 7.522 ( 0.342 7.499 -2.741) 7.991 7.779 ( -0.353 -0.661 0.303) 0.809 7.994 ( 6.695 -2.139 -2.370) 7.418 8.221 ( -1.689 -2.469 -0.629) 3.057 8.385 ( -3.177 -8.355 -0.218) 8.942 8.647 ( 1.738 2.056 -1.073) 2.898 8.871 ( 0.855 -0.410 5.674) 5.753 8.897 ( -3.924 -3.796 0.936) 5.539 9.312 ( -0.765 -5.382 -7.786) 9.496 10.316 ( 0.922 0.500 -5.867) 5.959 10.709 ( 1.367 0.160 -8.367) 8.479 12.673 ( 3.659 1.810 -0.357) 4.098 12.775 ( 4.032 11.491 -2.173) 12.370 13.001 ( 3.074 3.129 0.608) 4.428 13.274 ( 0.163 -0.490 -3.034) 3.077 13.370 ( -3.317 1.250 1.838) 3.993 13.626 ( -1.739 -0.431 -1.189) 2.150 13.901 ( 3.952 -1.842 -2.469) 5.011 14.212 ( -4.113 -5.697 1.011) 7.099 14.317 ( -1.345 3.367 7.671) 8.485 15.573 ( 0.333 -2.632 -5.130) 5.776 16.596 ( -1.282 -0.026 5.847) 5.986 16.724 ( -11.887 2.693 18.309) 21.995 17.890 ( 4.047 0.828 -3.499) 5.413 18.164 ( -6.031 0.892 -0.247) 6.102 18.542 ( -0.366 0.101 -0.312) 0.492 18.562 ( -0.602 -0.725 0.864) 1.279 19.000 ( 9.443 0.143 -15.512) 18.161 19.404 ( 9.707 -1.657 -5.314) 11.190 19.958 ( -5.155 -0.443 14.009) 14.934 20.216 ( 1.754 18.129 26.698) 32.319 21.505 ( 0.443 -2.201 -2.138) 3.100 21.938 ( -2.307 4.148 2.951) 5.589 22.286 ( -5.095 -4.966 -7.366) 10.241 22.860 ( 6.106 -1.684 -2.491) 6.807 23.541 ( -3.328 4.709 1.045) 5.860 23.805 ( -3.011 -2.837 -2.063) 4.623 24.244 ( -9.162 -15.363 -12.492) 21.818 24.366 ( 8.620 0.116 -1.309) 8.720 ======================= Grid point 54 (20/128) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 21.411 0.980 11.637) 24.389 1.686 ( -20.539 -2.222 -2.176) 20.773 1.876 ( 1.438 4.512 13.462) 14.271 1.950 ( -8.537 2.214 13.181) 15.859 2.099 ( 1.483 2.803 -3.873) 5.006 2.448 ( 0.607 -3.048 10.749) 11.189 2.503 ( -9.710 -1.939 -11.945) 15.515 2.867 ( -1.731 -7.167 0.274) 7.378 2.961 ( 7.527 -4.896 3.160) 9.519 3.162 ( -0.199 -7.086 9.860) 12.143 3.257 ( 3.797 -2.620 10.959) 11.890 3.419 ( 1.761 -7.110 7.998) 10.846 3.536 ( -6.637 0.304 14.177) 15.657 3.594 ( -0.153 -1.572 -3.508) 3.847 3.763 ( -2.416 -3.386 14.023) 14.627 3.819 ( 1.918 14.508 -5.012) 15.469 3.876 ( -4.408 10.807 2.937) 12.035 4.310 ( -0.849 0.295 6.820) 6.879 4.459 ( 2.500 -1.911 4.703) 5.659 4.539 ( -2.277 0.763 7.232) 7.620 4.620 ( -1.870 -6.740 3.462) 7.804 4.945 ( -5.773 11.337 4.648) 13.545 5.008 ( -2.396 2.944 -3.777) 5.354 5.453 ( -0.575 -0.716 2.091) 2.284 5.767 ( 5.093 0.152 -0.393) 5.110 6.110 ( 10.347 -2.123 -2.323) 10.815 6.271 ( -6.563 0.839 -4.018) 7.741 6.354 ( -3.819 -5.722 -1.818) 7.116 6.493 ( 0.744 -12.486 -4.638) 13.340 6.683 ( 3.023 2.923 1.903) 4.616 7.077 ( -4.127 0.294 -3.082) 5.159 7.092 ( -0.026 16.481 -1.534) 16.552 7.387 ( -0.769 -1.517 -4.138) 4.474 7.439 ( 2.660 4.075 -0.993) 4.967 7.789 ( -0.498 -0.672 -0.990) 1.295 8.082 ( 5.133 -1.512 -4.107) 6.746 8.251 ( 1.252 -0.998 4.236) 4.529 8.463 ( -4.457 -6.624 0.477) 7.998 8.592 ( -1.159 4.114 -1.056) 4.403 8.891 ( 3.603 1.416 4.403) 5.862 8.904 ( -3.847 -1.484 -0.682) 4.179 9.364 ( -0.377 -4.204 -5.617) 7.026 10.302 ( 2.375 1.109 -6.262) 6.788 10.706 ( 1.232 -0.839 -7.479) 7.626 12.614 ( -0.693 7.717 -5.478) 9.489 12.706 ( 3.683 1.807 2.477) 4.792 13.006 ( 1.337 0.310 0.223) 1.390 13.266 ( 0.677 -0.197 -8.775) 8.803 13.336 ( -1.736 0.126 1.164) 2.094 13.598 ( -3.935 -0.538 0.365) 3.989 13.957 ( 6.693 1.741 -1.801) 7.146 14.214 ( -2.009 0.523 1.112) 2.355 14.321 ( -3.888 -3.554 10.985) 12.182 15.596 ( 1.512 -1.038 -4.159) 4.546 16.599 ( -1.302 0.074 6.414) 6.545 16.671 ( -5.579 -0.852 14.482) 15.543 17.915 ( 4.190 0.549 -3.332) 5.381 18.099 ( -3.649 0.363 0.182) 3.671 18.539 ( -0.148 -0.188 -0.623) 0.667 18.569 ( -0.867 -0.704 1.240) 1.669 19.019 ( 4.650 1.321 -14.440) 15.228 19.495 ( 3.647 -3.104 -6.173) 7.813 19.929 ( -8.072 -0.288 14.407) 16.517 20.112 ( 1.758 8.692 20.641) 22.466 21.540 ( 0.631 -2.110 -2.317) 3.197 21.873 ( -1.750 2.173 3.889) 4.786 22.282 ( -0.476 -1.237 -6.329) 6.467 22.925 ( 2.991 -0.990 -2.673) 4.132 23.452 ( -2.566 2.214 1.201) 3.596 23.822 ( 0.524 -1.302 -0.427) 1.467 24.298 ( -7.908 -8.115 -8.471) 14.147 24.439 ( 8.952 2.026 -1.806) 9.355 ======================= Grid point 55 (21/128) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -29.573 4.481 -6.039) 30.514 1.513 ( 7.856 6.150 17.244) 19.922 1.610 ( 4.852 13.429 9.010) 16.883 2.083 ( 5.991 3.519 -2.398) 7.350 2.145 ( 4.937 -6.115 7.104) 10.594 2.398 ( -0.968 2.286 1.772) 3.050 2.550 ( -2.664 -5.482 1.287) 6.230 2.859 ( -12.458 11.436 4.807) 17.581 2.985 ( -3.605 -6.171 -2.468) 7.561 3.207 ( -1.810 8.676 1.803) 9.045 3.281 ( 0.856 3.307 17.390) 17.722 3.392 ( 5.342 5.908 4.990) 9.399 3.565 ( -1.590 2.164 21.230) 21.399 3.629 ( -7.387 -7.081 -4.510) 11.183 3.735 ( 0.107 -6.239 2.859) 6.863 3.768 ( 6.075 7.623 7.518) 12.310 3.910 ( 1.305 -11.036 2.064) 11.303 4.328 ( -2.810 -3.262 7.148) 8.345 4.432 ( -3.706 5.743 2.954) 7.446 4.512 ( 2.029 1.480 3.900) 4.639 4.679 ( -6.593 4.078 7.906) 11.072 4.904 ( 1.837 -13.132 3.223) 13.646 4.994 ( -1.484 -4.744 -4.932) 7.002 5.498 ( 1.782 -2.646 3.795) 4.957 5.763 ( -4.083 0.746 -1.435) 4.391 6.028 ( -7.829 9.079 -4.279) 12.729 6.236 ( 2.217 2.355 -6.843) 7.569 6.419 ( 4.155 -3.701 2.642) 6.160 6.606 ( -2.063 -6.442 3.475) 7.605 6.709 ( -3.644 10.282 1.473) 11.008 6.944 ( 2.800 -10.037 -8.381) 13.373 7.101 ( 7.280 -0.837 -2.557) 7.761 7.374 ( -1.889 0.011 -6.742) 7.001 7.462 ( 5.761 -1.766 2.062) 6.368 7.775 ( -3.064 -0.625 -2.029) 3.727 8.109 ( 1.476 1.707 -2.085) 3.073 8.279 ( 3.836 3.363 3.159) 6.001 8.477 ( -2.087 -0.300 2.378) 3.178 8.545 ( -3.038 -2.145 -4.356) 5.727 8.862 ( -1.306 2.904 -0.155) 3.188 8.928 ( 2.882 0.131 5.155) 5.907 9.387 ( -0.209 -0.844 -4.880) 4.957 10.305 ( 4.598 0.951 -7.060) 8.478 10.718 ( 0.829 -1.794 -6.815) 7.095 12.471 ( -1.496 7.214 -5.023) 8.917 12.736 ( 1.670 -1.220 -1.004) 2.299 13.000 ( -2.459 -0.770 -1.306) 2.888 13.275 ( 4.004 -0.926 -6.983) 8.102 13.318 ( -1.087 0.923 -0.192) 1.439 13.578 ( -2.812 -1.606 0.399) 3.263 13.966 ( 6.423 5.604 -1.128) 8.599 14.189 ( 0.392 1.940 0.784) 2.129 14.379 ( -6.110 -6.472 11.434) 14.490 15.612 ( 2.780 0.609 -3.938) 4.859 16.600 ( -1.560 0.053 6.282) 6.473 16.704 ( -2.634 -3.681 16.872) 17.469 17.930 ( 0.160 -0.199 -2.851) 2.862 18.095 ( 3.808 -0.028 0.162) 3.811 18.540 ( -0.217 -0.381 -0.458) 0.633 18.571 ( -0.917 -0.410 1.207) 1.570 18.985 ( 0.549 1.268 -15.350) 15.412 19.529 ( -3.475 -2.919 -7.337) 8.627 19.883 ( -6.992 0.729 12.458) 14.304 20.083 ( -2.555 1.501 21.986) 22.185 21.553 ( -0.253 0.212 -1.625) 1.658 21.875 ( -0.309 -2.580 4.036) 4.800 22.288 ( 4.103 0.660 -6.156) 7.427 22.926 ( -1.601 0.754 -2.805) 3.317 23.447 ( 1.107 -2.144 1.122) 2.661 23.847 ( 3.193 0.700 0.580) 3.320 24.293 ( -6.998 -4.367 -6.517) 10.512 24.476 ( 10.490 5.750 -3.520) 12.470 ======================= Grid point 56 (22/128) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -27.285 7.989 0.355) 28.433 1.239 ( -11.666 18.000 24.729) 32.736 1.708 ( 11.030 16.796 9.947) 22.422 2.065 ( 6.562 5.208 1.858) 8.581 2.214 ( 8.447 8.464 4.136) 12.653 2.379 ( -9.666 5.940 -1.387) 11.429 2.420 ( -1.601 3.897 12.594) 13.280 2.637 ( -5.206 -5.078 0.062) 7.273 3.041 ( -3.166 -4.695 3.549) 6.682 3.109 ( -4.136 -1.861 -1.651) 4.827 3.304 ( 2.495 3.630 3.077) 5.373 3.449 ( 7.163 0.326 8.348) 11.005 3.553 ( -1.850 1.394 13.510) 13.707 3.657 ( -5.153 -5.525 6.055) 9.682 3.751 ( 1.233 2.113 5.065) 5.624 3.833 ( -2.565 -4.272 13.978) 14.840 4.021 ( 4.164 -1.078 3.976) 5.858 4.283 ( -7.753 5.175 0.013) 9.322 4.374 ( 3.708 6.634 -1.576) 7.762 4.549 ( -0.284 -1.137 6.340) 6.447 4.634 ( -7.512 -13.768 5.974) 16.783 5.043 ( -0.671 -7.043 -4.264) 8.260 5.197 ( 2.878 -15.660 2.485) 16.115 5.553 ( -0.391 -0.722 0.199) 0.845 5.669 ( -8.336 1.158 -2.413) 8.755 5.775 ( -7.963 10.144 -3.874) 13.466 6.130 ( -0.123 12.789 -4.135) 13.442 6.461 ( -1.317 5.010 1.370) 5.358 6.509 ( 2.609 4.112 2.697) 5.567 6.776 ( -1.793 -13.974 6.090) 15.348 7.131 ( 5.376 -7.531 -2.299) 9.535 7.249 ( 5.762 -8.052 -6.081) 11.619 7.342 ( 1.918 -0.620 -4.344) 4.789 7.607 ( 7.648 -6.808 0.624) 10.258 7.741 ( -5.024 -1.634 -2.916) 6.034 8.045 ( -5.490 3.321 2.499) 6.886 8.244 ( 6.704 7.552 -3.224) 10.601 8.486 ( 0.879 2.272 2.222) 3.297 8.525 ( -3.012 -2.563 -6.322) 7.457 8.802 ( 1.532 5.030 2.308) 5.743 8.964 ( 0.656 0.322 6.316) 6.358 9.360 ( -0.151 1.929 -5.561) 5.888 10.324 ( 6.040 1.531 -8.631) 10.645 10.737 ( 0.760 -1.963 -6.698) 7.021 12.345 ( -0.890 5.781 -2.880) 6.520 12.752 ( 0.155 -0.247 -5.116) 5.124 13.000 ( -1.268 -3.016 -1.745) 3.708 13.280 ( -1.536 1.864 -0.750) 2.530 13.325 ( 4.172 -0.883 -1.773) 4.618 13.593 ( -0.977 -2.833 -0.572) 3.051 13.924 ( 3.678 5.923 -1.594) 7.152 14.163 ( 4.062 4.864 -0.841) 6.392 14.442 ( -7.579 -6.975 10.443) 14.668 15.604 ( 2.868 3.171 -5.029) 6.601 16.600 ( -1.624 0.021 5.797) 6.020 16.842 ( 0.445 -10.043 25.330) 27.252 17.914 ( -2.307 -0.596 -2.623) 3.544 18.172 ( 10.634 0.543 0.290) 10.652 18.542 ( -0.650 -0.407 0.062) 0.770 18.572 ( -0.561 -0.475 0.792) 1.081 18.897 ( -6.421 1.107 -18.577) 19.687 19.444 ( -12.200 0.753 -7.299) 14.236 19.852 ( -1.972 0.672 10.614) 10.817 20.168 ( -8.102 -12.517 28.710) 32.351 21.528 ( -0.841 1.431 -0.786) 1.837 21.948 ( 0.117 -4.935 3.488) 6.044 22.308 ( 9.222 3.938 -6.734) 12.078 22.871 ( -5.322 0.124 -2.742) 5.988 23.522 ( 2.378 -4.048 0.474) 4.719 23.872 ( 5.214 1.963 0.749) 5.622 24.255 ( -5.852 -1.895 -5.268) 8.099 24.445 ( 13.018 13.254 -9.736) 20.974 ======================= Grid point 57 (23/128) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -16.964 5.960 17.347) 24.984 0.875 ( -4.675 29.635 19.205) 35.622 1.286 ( -13.016 25.968 40.309) 49.685 2.031 ( -1.398 7.429 3.604) 8.375 2.271 ( 10.206 -3.881 1.074) 10.972 2.350 ( 3.450 -1.524 0.212) 3.778 2.474 ( 3.811 -1.487 12.717) 13.359 2.648 ( -4.129 -1.616 2.904) 5.300 3.104 ( -2.602 -6.358 2.669) 7.370 3.121 ( -6.496 -7.356 -1.462) 9.921 3.277 ( 0.481 2.860 0.525) 2.947 3.431 ( 2.670 10.445 1.521) 10.887 3.526 ( -6.089 0.183 1.315) 6.233 3.771 ( 2.524 -5.118 12.407) 13.657 3.816 ( 2.695 -8.367 3.086) 9.316 3.902 ( -4.904 -0.956 6.776) 8.419 4.126 ( 6.211 -3.980 26.859) 27.854 4.143 ( -0.946 0.045 -1.665) 1.916 4.281 ( 4.591 9.050 -0.326) 10.153 4.545 ( -2.498 -0.311 8.034) 8.419 4.880 ( -6.662 -21.769 -2.225) 22.874 5.162 ( 3.313 -8.442 -4.814) 10.267 5.396 ( -9.927 -0.096 -5.945) 11.571 5.445 ( -2.534 -2.879 1.609) 4.159 5.543 ( -2.918 6.214 -5.609) 8.865 5.626 ( -1.848 3.327 1.270) 4.012 5.847 ( -4.864 17.278 0.536) 17.958 6.424 ( 1.329 0.924 1.854) 2.461 6.493 ( 1.559 3.532 2.359) 4.524 6.974 ( 2.141 -8.472 2.303) 9.037 7.302 ( -2.583 -9.482 5.448) 11.237 7.332 ( 3.675 -8.123 -2.798) 9.344 7.477 ( 9.511 -4.285 -6.181) 12.126 7.715 ( -6.173 -4.052 -1.856) 7.614 7.802 ( 7.093 -6.597 1.370) 9.783 7.954 ( -8.630 -2.491 1.229) 9.066 8.182 ( 7.099 8.526 -2.650) 11.407 8.374 ( -4.872 6.010 -7.515) 10.786 8.544 ( 4.617 3.343 -2.502) 6.225 8.755 ( 5.558 8.268 3.736) 10.640 8.935 ( -6.456 1.978 4.527) 8.129 9.314 ( 0.462 1.833 -6.467) 6.737 10.315 ( 4.577 4.108 -9.701) 11.486 10.752 ( 0.840 -1.147 -7.263) 7.401 12.326 ( 12.360 0.541 9.265) 15.456 12.722 ( 1.915 3.028 -6.610) 7.518 13.048 ( 0.067 -4.013 -2.406) 4.679 13.231 ( -0.984 2.244 -0.559) 2.514 13.375 ( 2.156 -1.326 2.948) 3.885 13.637 ( -0.744 -4.402 0.306) 4.475 13.866 ( 2.366 4.712 -3.733) 6.460 14.102 ( 4.635 9.178 -3.524) 10.869 14.480 ( -8.090 -5.071 8.325) 12.667 15.542 ( 1.092 5.535 -5.202) 7.673 16.598 ( -1.636 0.037 5.442) 5.683 17.235 ( 7.141 -28.619 32.254) 43.708 17.891 ( -1.900 -0.399 -3.083) 3.644 18.285 ( 18.034 5.287 0.574) 18.802 18.538 ( -1.866 -0.488 -0.169) 1.936 18.578 ( -0.559 -0.670 -0.148) 0.885 18.663 ( -22.608 4.585 -19.365) 30.119 19.259 ( -10.253 3.400 -4.520) 11.709 19.872 ( 0.799 0.143 9.582) 9.616 20.559 ( -11.648 -47.165 39.884) 62.856 21.498 ( -0.808 0.985 -0.696) 1.452 22.024 ( -0.502 -3.553 2.947) 4.643 22.288 ( 15.041 15.540 -10.859) 24.200 22.800 ( -10.301 -1.938 -4.198) 11.291 23.598 ( 1.497 -2.550 0.257) 2.968 23.898 ( 3.967 1.458 -0.563) 4.264 24.183 ( 5.370 23.218 -15.814) 28.601 24.227 ( 1.525 10.242 -10.331) 14.627 ======================= Grid point 59 (24/128) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 10.021 0.000 23.222) 25.292 1.011 ( 18.492 0.000 22.884) 29.422 1.756 ( 24.439 0.000 39.493) 46.443 1.919 ( -4.609 -0.000 2.909) 5.450 2.242 ( -18.215 -0.000 12.358) 22.011 2.419 ( 5.778 0.000 1.607) 5.997 2.594 ( -3.021 -0.000 1.970) 3.607 2.681 ( -4.079 -0.000 18.957) 19.391 2.887 ( -17.193 -0.000 -11.856) 20.885 3.004 ( -9.725 -0.000 -8.088) 12.649 3.188 ( -4.626 -0.000 4.208) 6.254 3.277 ( -0.042 -0.000 -2.173) 2.174 3.400 ( 3.982 0.000 3.570) 5.348 3.523 ( 2.594 0.000 -2.515) 3.613 3.825 ( -11.091 -0.000 25.439) 27.751 4.058 ( 2.153 0.000 3.873) 4.431 4.133 ( -1.178 -0.000 -0.347) 1.228 4.216 ( 3.823 0.000 -1.864) 4.253 4.423 ( -1.391 -0.000 11.441) 11.525 4.616 ( -1.775 -0.000 13.142) 13.262 4.950 ( -1.098 -0.000 -9.906) 9.966 5.236 ( -0.640 -0.000 -9.850) 9.871 5.379 ( -8.914 -0.000 -2.773) 9.335 5.464 ( 4.671 0.000 -2.347) 5.227 5.495 ( -1.810 -0.000 -1.024) 2.080 5.836 ( 15.071 0.000 5.233) 15.954 5.872 ( 21.161 0.000 -9.101) 23.035 6.382 ( -2.841 -0.000 -0.146) 2.845 6.396 ( -9.117 -0.000 1.072) 9.180 7.105 ( -4.199 -0.000 1.611) 4.498 7.182 ( -10.560 -0.000 7.767) 13.109 7.277 ( -1.024 -0.000 -7.064) 7.137 7.562 ( -0.262 -0.000 -1.923) 1.941 7.698 ( -2.773 -0.000 2.996) 4.083 7.794 ( 7.554 0.000 -7.465) 10.621 7.849 ( -6.385 -0.000 0.094) 6.386 8.147 ( -1.925 -0.000 -3.268) 3.793 8.391 ( 2.695 0.000 4.507) 5.251 8.517 ( 1.222 0.000 0.245) 1.246 8.690 ( 1.217 0.000 -0.276) 1.247 8.954 ( 0.562 0.000 7.273) 7.294 9.192 ( -2.203 -0.000 -9.003) 9.269 10.317 ( 1.441 0.000 -3.300) 3.601 10.716 ( 1.255 0.000 -9.266) 9.351 12.716 ( 4.254 0.000 -3.814) 5.713 13.013 ( 2.446 0.000 -10.739) 11.014 13.080 ( 0.017 0.000 -1.394) 1.394 13.375 ( -1.564 -0.000 -2.311) 2.791 13.485 ( 0.808 0.000 7.135) 7.180 13.641 ( -3.586 -0.000 0.090) 3.588 13.741 ( -7.419 -0.000 0.092) 7.419 14.008 ( 4.791 0.000 0.151) 4.793 14.410 ( -0.222 -0.000 3.903) 3.909 15.509 ( 3.273 0.000 -1.743) 3.708 16.594 ( -1.262 -0.000 5.528) 5.670 16.801 ( -23.088 -0.000 21.703) 31.687 17.872 ( -0.305 -0.000 -2.897) 2.913 18.240 ( 1.743 0.000 0.155) 1.749 18.546 ( -0.469 -0.000 0.227) 0.521 18.556 ( -0.727 -0.000 -0.370) 0.816 18.916 ( 2.507 0.000 -14.682) 14.894 19.441 ( 16.334 0.000 -10.939) 19.659 19.954 ( -3.551 -0.000 13.900) 14.346 21.193 ( -17.227 -0.000 13.185) 21.693 21.458 ( -0.940 -0.000 -1.831) 2.059 21.725 ( 2.413 0.000 -0.306) 2.432 22.054 ( -1.501 -0.000 3.177) 3.514 22.850 ( 8.789 0.000 -6.046) 10.667 23.661 ( -0.058 -0.000 2.429) 2.429 23.687 ( -0.016 -0.000 -1.289) 1.290 23.758 ( -5.731 -0.000 -3.800) 6.876 24.363 ( 8.630 0.000 -1.391) 8.741 ======================= Grid point 60 (25/128) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 7.245 -22.001 15.898) 28.094 1.277 ( 18.495 -1.643 19.476) 26.909 1.840 ( -13.600 2.132 3.355) 14.169 1.978 ( -12.720 -4.914 13.577) 19.243 2.258 ( 13.091 -2.797 19.407) 23.576 2.415 ( -0.030 9.903 3.323) 10.446 2.533 ( -3.902 1.637 0.617) 4.277 2.677 ( -6.245 -1.993 -3.060) 7.234 2.718 ( -1.854 -5.898 9.569) 11.393 2.977 ( -7.972 -8.528 -2.636) 11.968 3.187 ( 2.338 0.157 9.451) 9.738 3.284 ( -0.330 -1.459 -0.535) 1.588 3.453 ( 4.695 0.843 5.705) 7.437 3.609 ( 1.790 -6.001 1.800) 6.516 3.809 ( -3.219 0.041 10.558) 11.037 3.907 ( -2.270 10.540 10.796) 15.258 4.184 ( 3.129 0.460 3.776) 4.925 4.349 ( 1.313 -9.523 -1.349) 9.708 4.426 ( -0.636 0.840 2.896) 3.082 4.605 ( -0.963 4.224 11.377) 12.174 4.749 ( 1.738 18.076 -4.441) 18.695 5.161 ( -8.633 1.331 -3.573) 9.437 5.245 ( -8.572 8.243 -0.630) 11.909 5.366 ( -3.363 -2.039 -3.553) 5.300 5.804 ( 6.174 -21.171 -4.908) 22.592 5.930 ( 11.090 8.668 0.143) 14.076 6.032 ( 15.453 -0.973 1.389) 15.545 6.299 ( -7.105 -0.228 -5.125) 8.763 6.354 ( -4.775 -0.766 -1.842) 5.175 6.985 ( -3.081 9.091 3.800) 10.324 7.080 ( -5.388 1.023 -0.399) 5.498 7.302 ( -0.770 -3.558 -5.570) 6.654 7.489 ( -2.274 6.926 -1.156) 7.381 7.612 ( -6.532 5.645 4.012) 9.520 7.765 ( 4.753 0.210 -2.805) 5.523 7.984 ( 3.242 -7.733 -4.507) 9.519 8.167 ( -0.202 -3.902 -0.451) 3.934 8.317 ( 1.006 4.003 3.031) 5.121 8.666 ( -0.405 -7.318 -1.365) 7.455 8.708 ( -1.447 -3.481 1.253) 3.973 8.954 ( 0.510 2.211 6.643) 7.019 9.185 ( -2.094 -4.845 -8.346) 9.875 10.317 ( 0.621 0.032 -4.343) 4.388 10.705 ( 1.905 0.366 -8.780) 8.992 12.736 ( 3.923 2.200 -3.258) 5.554 12.938 ( 0.547 6.759 -6.292) 9.251 13.092 ( 2.218 0.514 -1.554) 2.756 13.309 ( -3.670 3.898 -7.019) 8.828 13.346 ( -4.475 6.952 11.078) 13.823 13.595 ( -2.396 0.194 -1.199) 2.686 13.815 ( -5.349 -10.509 2.053) 11.969 14.094 ( 1.510 -4.547 0.592) 4.827 14.400 ( 1.830 3.733 4.461) 6.098 15.553 ( 3.587 -1.264 -2.393) 4.493 16.598 ( -1.122 -0.091 5.963) 6.068 16.672 ( -10.571 0.553 15.554) 18.814 17.871 ( -1.236 -1.635 -2.799) 3.469 18.216 ( 2.163 4.898 0.278) 5.362 18.533 ( -1.024 -0.063 -0.936) 1.388 18.557 ( 0.211 -0.100 0.584) 0.629 18.922 ( -2.433 -4.901 -11.915) 13.112 19.533 ( 10.720 2.146 -9.545) 14.513 19.943 ( -5.596 0.444 15.139) 16.146 20.730 ( 2.623 31.894 17.539) 36.493 21.466 ( -0.565 -1.916 -2.447) 3.159 21.930 ( -3.737 -6.985 -0.719) 7.954 22.074 ( -3.143 -7.992 -0.462) 8.600 22.914 ( 6.534 -0.150 -4.102) 7.717 23.565 ( -5.473 5.237 0.057) 7.575 23.730 ( 0.421 -3.592 -0.191) 3.622 23.877 ( -4.093 -16.385 -5.804) 17.858 24.450 ( 8.293 -0.382 -1.985) 8.536 ======================= Grid point 61 (26/128) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -15.968 -0.064 6.137) 17.106 1.610 ( 15.995 -4.038 11.382) 20.043 1.736 ( -5.132 -13.342 12.438) 18.948 1.949 ( -10.015 -4.417 5.303) 12.163 2.171 ( -8.256 12.636 2.951) 15.380 2.334 ( -3.959 -0.095 -4.584) 6.058 2.495 ( 3.081 0.523 9.317) 9.827 2.793 ( 5.517 -4.192 0.543) 6.950 2.945 ( -0.187 -8.529 1.737) 8.706 3.046 ( 2.443 -10.394 10.317) 14.847 3.288 ( 3.721 -4.689 14.154) 15.368 3.320 ( -0.931 -4.054 1.635) 4.469 3.513 ( 5.761 -0.105 7.222) 9.239 3.704 ( 2.060 0.485 0.123) 2.119 3.732 ( 1.549 4.089 10.492) 11.366 3.893 ( -1.459 -2.599 8.878) 9.365 4.164 ( 4.334 13.607 -0.787) 14.302 4.327 ( -4.358 7.164 -1.761) 8.569 4.484 ( 3.403 -3.965 4.512) 6.904 4.531 ( -2.432 0.585 6.420) 6.890 4.590 ( 0.308 5.971 9.202) 10.974 5.001 ( -7.848 6.791 -4.735) 11.408 5.022 ( -12.313 5.030 2.677) 13.568 5.366 ( -3.387 -3.596 -2.071) 5.357 5.844 ( -1.695 5.874 -0.162) 6.116 6.147 ( -2.689 -7.193 1.486) 7.822 6.195 ( 9.797 -8.849 -6.798) 14.849 6.272 ( 8.459 1.369 -4.609) 9.730 6.315 ( -3.649 -6.366 -3.024) 7.936 6.833 ( 0.996 9.704 3.312) 10.302 7.035 ( -1.942 0.480 -2.577) 3.263 7.312 ( -2.895 9.727 1.783) 10.304 7.318 ( -1.131 -0.719 -9.345) 9.441 7.502 ( -2.718 3.367 3.579) 5.616 7.782 ( 1.298 1.093 -3.075) 3.512 8.092 ( 3.598 -3.499 -3.858) 6.331 8.246 ( 2.526 -4.150 2.573) 5.497 8.339 ( -0.269 -4.153 1.357) 4.377 8.642 ( -1.468 4.383 -1.185) 4.772 8.782 ( -5.021 -6.480 1.133) 8.276 8.967 ( 2.883 0.566 5.325) 6.082 9.239 ( -1.597 -7.176 -7.124) 10.237 10.312 ( 0.979 -0.301 -5.495) 5.590 10.696 ( 1.922 0.451 -7.869) 8.113 12.699 ( 1.342 5.371 -4.056) 6.863 12.823 ( 1.196 6.974 -0.857) 7.127 13.067 ( 0.863 5.956 0.796) 6.071 13.218 ( -1.308 -1.959 -9.402) 9.692 13.302 ( -3.240 -1.406 2.950) 4.602 13.562 ( -2.489 0.416 -0.099) 2.525 13.918 ( -4.108 -8.490 2.759) 9.827 14.165 ( -0.178 -3.364 1.535) 3.702 14.365 ( 1.892 5.094 6.444) 8.429 15.603 ( 3.995 -0.921 -3.003) 5.081 16.602 ( -1.866 0.050 6.771) 7.024 16.636 ( -4.562 -1.072 12.126) 13.000 17.869 ( -3.505 -2.014 -2.345) 4.673 18.180 ( 5.834 4.270 -0.123) 7.231 18.526 ( -0.873 -0.461 -0.513) 1.112 18.562 ( 0.217 -0.125 0.185) 0.312 18.923 ( -5.920 -4.411 -10.366) 12.726 19.563 ( 7.366 2.862 -7.791) 11.098 19.911 ( -5.517 1.139 14.724) 15.764 20.434 ( 5.164 20.770 16.653) 27.117 21.492 ( -0.435 -3.028 -2.645) 4.044 21.905 ( -2.018 2.814 3.209) 4.721 22.173 ( -2.407 -8.143 -4.683) 9.697 22.965 ( 5.000 0.676 -3.078) 5.910 23.445 ( -4.944 2.538 0.673) 5.598 23.796 ( 1.758 -3.481 0.514) 3.934 24.032 ( -5.919 -12.709 -6.396) 15.410 24.532 ( 7.523 -0.322 -2.877) 8.061 ======================= Grid point 62 (27/128) ======================= q-point: (-0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -29.506 3.614 4.941) 30.134 1.746 ( -2.227 11.517 14.640) 18.760 1.875 ( 12.232 2.015 10.959) 16.546 2.045 ( -2.347 -5.377 -6.117) 8.476 2.052 ( 2.548 -13.876 10.540) 17.611 2.287 ( -5.821 -3.924 -6.159) 9.339 2.558 ( 3.127 1.975 8.673) 9.429 2.876 ( -2.194 -3.327 -3.909) 5.582 2.928 ( -0.708 3.023 5.347) 6.183 3.237 ( -1.195 -5.765 8.313) 10.187 3.388 ( -3.581 -7.533 -2.784) 8.793 3.424 ( 3.835 1.392 10.374) 11.147 3.638 ( 5.920 -1.378 6.870) 9.173 3.680 ( 2.478 5.249 10.814) 12.274 3.742 ( -4.133 13.774 8.185) 16.547 3.805 ( -1.468 9.455 2.862) 9.987 3.971 ( 11.001 0.417 2.565) 11.304 4.283 ( -3.443 -1.705 5.001) 6.306 4.481 ( -4.633 3.967 7.232) 9.461 4.541 ( 0.364 1.858 5.866) 6.164 4.663 ( 3.382 -8.884 4.584) 10.553 4.822 ( -7.496 5.903 3.597) 10.197 4.872 ( -9.113 -3.010 -2.155) 9.836 5.405 ( -2.720 -6.259 -0.085) 6.825 5.728 ( -5.736 3.132 -3.852) 7.586 6.069 ( -6.259 6.062 -0.774) 8.748 6.277 ( 0.143 -3.564 -3.330) 4.880 6.373 ( 7.814 -2.804 2.266) 8.606 6.538 ( 5.342 -8.222 -5.215) 11.106 6.776 ( 4.720 0.119 1.707) 5.021 6.918 ( -5.378 9.591 -3.532) 11.550 7.202 ( 7.145 3.523 -3.142) 8.564 7.306 ( -3.934 -2.610 -5.653) 7.365 7.474 ( -0.550 -0.915 2.371) 2.601 7.750 ( -1.097 1.746 -3.767) 4.294 8.137 ( 0.949 0.429 -1.676) 1.973 8.343 ( 3.460 -3.033 1.803) 4.942 8.408 ( 0.086 -4.095 0.410) 4.117 8.543 ( -1.282 4.678 -1.837) 5.187 8.810 ( -4.464 -3.264 2.724) 6.165 9.004 ( 3.146 0.817 4.051) 5.193 9.314 ( -0.449 -5.692 -6.115) 8.367 10.321 ( 2.042 -1.074 -6.695) 7.081 10.691 ( 1.568 -0.269 -7.068) 7.245 12.583 ( 0.167 8.607 -3.058) 9.135 12.764 ( 0.995 2.660 -1.082) 3.039 12.975 ( -2.991 2.670 -1.749) 4.375 13.257 ( 2.761 -2.968 -6.927) 8.026 13.312 ( -0.422 -1.627 0.176) 1.690 13.539 ( -1.304 -0.309 -0.218) 1.358 13.988 ( -4.549 -5.058 2.358) 7.200 14.203 ( 0.686 -1.200 0.775) 1.584 14.334 ( -0.072 2.737 9.241) 9.638 15.645 ( 4.177 -0.149 -4.287) 5.988 16.598 ( -2.202 -0.118 6.684) 7.038 16.666 ( -2.492 -2.806 13.599) 14.107 17.846 ( -5.219 -2.050 -1.878) 5.913 18.223 ( 11.175 1.650 -0.556) 11.310 18.524 ( -1.025 -0.609 -0.299) 1.230 18.565 ( 0.074 -0.057 -0.205) 0.225 18.866 ( -9.582 -2.068 -9.089) 13.368 19.555 ( 4.596 4.190 -7.067) 9.414 19.882 ( -3.586 1.175 13.000) 13.537 20.248 ( 0.122 13.795 16.882) 21.802 21.526 ( -0.437 -2.388 -2.405) 3.417 21.866 ( -1.008 0.825 4.140) 4.340 22.252 ( 0.794 -5.703 -5.839) 8.200 22.959 ( 1.600 3.898 -2.898) 5.114 23.412 ( -1.493 -2.417 1.330) 3.137 23.869 ( 2.916 -2.414 0.616) 3.835 24.112 ( -5.158 -8.003 -5.126) 10.813 24.596 ( 6.597 0.417 -4.854) 8.201 ======================= Grid point 63 (28/128) ======================= q-point: (-0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -21.437 3.921 12.990) 25.371 1.490 ( -6.166 17.759 25.384) 31.587 2.061 ( 11.960 -1.438 4.625) 12.903 2.107 ( 5.396 -0.124 -3.375) 6.366 2.250 ( 1.623 -3.633 -0.412) 4.000 2.349 ( -2.081 -12.096 2.207) 12.471 2.509 ( -7.008 4.176 6.236) 10.269 2.688 ( -3.503 21.901 5.404) 22.828 2.972 ( 3.073 -1.665 0.551) 3.538 3.181 ( -2.584 14.337 4.328) 15.197 3.351 ( -6.025 -5.835 2.013) 8.626 3.443 ( -2.933 0.699 -0.326) 3.033 3.527 ( 4.137 0.343 4.784) 6.334 3.662 ( -1.636 1.427 20.965) 21.077 3.737 ( -3.136 1.226 1.516) 3.692 3.812 ( -0.113 -3.307 7.170) 7.897 4.122 ( 8.609 -1.484 4.161) 9.676 4.301 ( -1.754 -1.125 7.543) 7.826 4.345 ( -7.084 3.578 -0.018) 7.936 4.538 ( -3.924 3.389 2.927) 5.954 4.635 ( 2.296 5.263 8.321) 10.110 4.892 ( -2.749 -8.560 -0.134) 8.992 4.961 ( 0.103 -17.258 4.263) 17.777 5.481 ( -3.555 -6.567 -0.331) 7.475 5.620 ( -2.803 3.296 -3.204) 5.384 5.882 ( -3.831 10.333 -0.454) 11.030 6.290 ( 3.597 5.357 -4.660) 7.959 6.515 ( 3.143 -2.668 2.977) 5.085 6.587 ( -1.796 -4.046 3.102) 5.405 6.630 ( -3.091 11.473 -1.280) 11.951 7.006 ( 5.141 -13.622 -3.554) 14.987 7.242 ( 2.783 0.679 -3.404) 4.449 7.322 ( 3.789 -4.416 -5.844) 8.247 7.531 ( -1.011 -6.487 0.123) 6.567 7.699 ( -0.567 1.373 -3.834) 4.112 8.075 ( -3.714 5.533 1.905) 6.931 8.378 ( -0.171 0.582 -6.560) 6.588 8.451 ( 3.010 1.366 -0.886) 3.422 8.521 ( 2.711 -1.319 2.054) 3.648 8.808 ( -3.789 -1.377 4.570) 6.094 9.025 ( 1.635 1.556 4.072) 4.656 9.351 ( 0.766 -1.132 -6.082) 6.234 10.345 ( 2.368 -1.321 -8.557) 8.977 10.701 ( 1.599 -1.369 -6.745) 7.066 12.461 ( 2.395 7.376 0.817) 7.798 12.739 ( -0.346 0.133 -4.488) 4.504 12.939 ( -1.243 -1.419 -1.371) 2.332 13.285 ( 0.525 0.039 -2.955) 3.002 13.349 ( 2.476 -1.428 -0.472) 2.897 13.551 ( 1.430 -1.707 -2.222) 3.145 13.976 ( -4.344 0.776 1.052) 4.536 14.235 ( 2.115 -1.150 -1.072) 2.636 14.330 ( -3.326 -0.641 11.070) 11.576 15.660 ( 3.098 1.531 -6.827) 7.652 16.597 ( -1.868 -0.143 6.017) 6.301 16.748 ( -3.683 -6.663 19.261) 20.711 17.824 ( -4.208 -2.443 -2.137) 5.314 18.356 ( 16.395 -0.460 -0.903) 16.426 18.518 ( -1.763 -0.527 -0.696) 1.967 18.564 ( -0.151 -0.026 -0.463) 0.488 18.732 ( -13.175 1.209 -7.070) 15.001 19.477 ( 1.821 8.212 -7.017) 10.954 19.879 ( -0.823 0.452 11.639) 11.677 20.125 ( -5.454 4.437 20.558) 21.727 21.532 ( -0.378 0.253 -1.758) 1.816 21.889 ( -0.598 -3.294 3.864) 5.113 22.336 ( 3.296 -4.633 -7.039) 9.048 22.879 ( -0.972 5.353 -2.203) 5.869 23.474 ( 0.717 -4.810 1.098) 4.985 23.921 ( 1.535 -0.792 -0.622) 1.836 24.156 ( -1.273 -4.151 -3.055) 5.309 24.618 ( 4.664 2.690 -10.014) 11.369 ======================= Grid point 64 (29/128) ======================= q-point: (-0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.664 3.262 24.087) 24.316 1.254 ( -0.943 18.578 30.357) 35.603 1.900 ( 2.048 40.390 12.826) 42.427 2.098 ( -2.071 4.180 1.235) 4.825 2.239 ( -0.665 -4.725 0.610) 4.810 2.413 ( 0.353 -1.422 4.088) 4.343 2.504 ( -3.854 -7.755 4.659) 9.834 2.550 ( 4.557 1.584 11.070) 12.076 3.004 ( -1.320 -0.291 -3.738) 3.975 3.062 ( -0.226 0.173 5.956) 5.963 3.328 ( -6.492 1.312 -3.838) 7.655 3.398 ( -6.026 -2.850 -0.467) 6.683 3.593 ( 1.896 6.456 -0.441) 6.743 3.664 ( -2.403 -3.600 -3.551) 5.599 3.714 ( -7.066 -4.646 27.167) 28.453 3.890 ( -0.493 -2.380 5.681) 6.179 4.105 ( -6.657 2.367 4.557) 8.407 4.249 ( 7.428 2.898 12.315) 14.670 4.426 ( -1.046 6.197 2.843) 6.898 4.468 ( -1.307 -15.022 -3.622) 15.508 4.636 ( -1.709 0.155 8.270) 8.446 5.048 ( 5.273 -9.854 0.522) 11.188 5.232 ( -0.299 -15.080 3.904) 15.580 5.468 ( -0.101 3.480 -3.957) 5.271 5.585 ( -1.317 -0.374 0.766) 1.568 5.707 ( 2.834 10.310 -1.409) 10.785 6.098 ( -0.107 18.819 -5.317) 19.556 6.455 ( -0.839 2.654 0.091) 2.785 6.533 ( -2.184 2.137 2.496) 3.946 6.782 ( -1.144 -14.895 6.325) 16.223 7.219 ( -1.726 -6.285 -2.095) 6.846 7.254 ( 5.383 -4.003 -1.581) 6.892 7.460 ( 6.174 -7.777 -7.147) 12.234 7.570 ( -6.704 -3.215 -2.767) 7.934 7.755 ( 4.707 -7.739 -1.937) 9.263 7.933 ( -3.793 7.604 3.255) 9.100 8.313 ( -2.538 3.176 -7.259) 8.320 8.409 ( 1.206 6.717 -2.191) 7.167 8.586 ( 3.928 -0.895 -0.058) 4.029 8.824 ( -0.800 -2.561 6.814) 7.323 8.980 ( -2.752 6.049 1.979) 6.934 9.338 ( 1.591 2.152 -6.702) 7.217 10.348 ( 1.006 0.325 -9.814) 9.870 10.722 ( 1.506 -1.387 -7.492) 7.766 12.473 ( 10.824 -0.729 7.639) 13.268 12.737 ( 1.672 -1.723 -6.187) 6.636 12.972 ( -0.004 -3.889 -1.675) 4.235 13.267 ( 0.784 1.912 -1.013) 2.301 13.389 ( 0.807 -1.089 2.420) 2.774 13.597 ( 3.066 -1.562 -2.986) 4.556 13.907 ( -2.612 2.672 -1.085) 3.891 14.245 ( 2.494 3.962 -2.950) 5.534 14.346 ( -5.986 -4.439 9.801) 12.312 15.617 ( 0.873 4.129 -8.794) 9.754 16.596 ( -1.643 -0.019 5.567) 5.805 16.895 ( -12.120 -14.279 25.734) 31.828 17.831 ( 0.193 -2.484 -2.732) 3.697 18.422 ( -14.905 1.556 -6.990) 16.536 18.555 ( -1.548 -0.491 0.981) 1.897 18.578 ( -2.372 2.085 -0.313) 3.174 18.604 ( 26.680 -0.346 -2.635) 26.812 19.328 ( 1.322 9.611 -5.561) 11.182 19.914 ( 1.312 0.067 11.044) 11.121 20.154 ( -8.579 -11.498 29.560) 32.857 21.509 ( -0.167 1.504 -1.431) 2.083 21.957 ( -1.050 -4.821 3.145) 5.851 22.401 ( 1.479 -1.791 -9.722) 9.996 22.784 ( 0.213 5.144 -1.304) 5.311 23.557 ( 0.546 -4.470 1.045) 4.623 23.910 ( -3.079 0.621 -2.600) 4.078 24.207 ( 4.650 -1.189 -1.278) 4.966 24.501 ( -2.073 12.095 -20.222) 23.654 ======================= Grid point 67 (30/128) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 12.591 0.000 18.152) 22.091 1.443 ( -1.374 -0.000 15.057) 15.119 1.748 ( -13.948 -0.000 22.634) 26.586 1.792 ( -8.779 -0.000 1.481) 8.903 2.295 ( -9.906 -0.000 -11.882) 15.470 2.494 ( -4.964 -0.000 1.661) 5.235 2.577 ( 7.178 0.000 1.213) 7.280 2.647 ( -3.230 -0.000 17.169) 17.470 2.770 ( 18.703 0.000 21.854) 28.765 2.777 ( -7.370 -0.000 -4.723) 8.754 3.260 ( 3.433 0.000 15.236) 15.618 3.289 ( 3.577 0.000 -4.926) 6.088 3.539 ( 5.553 0.000 2.813) 6.225 3.575 ( 3.292 0.000 -1.854) 3.778 3.784 ( -6.396 -0.000 24.212) 25.042 4.094 ( -4.118 -0.000 2.358) 4.745 4.114 ( 1.680 0.000 1.123) 2.021 4.307 ( 5.192 0.000 0.082) 5.193 4.424 ( -1.591 -0.000 -1.086) 1.926 4.677 ( 0.636 0.000 13.912) 13.927 4.900 ( 0.215 0.000 -8.344) 8.347 5.041 ( -12.858 -0.000 -4.480) 13.616 5.143 ( -9.688 -0.000 -3.771) 10.396 5.484 ( 1.353 0.000 -2.690) 3.011 5.603 ( 7.817 0.000 -0.008) 7.817 6.067 ( -7.683 -0.000 -1.524) 7.833 6.117 ( 7.460 0.000 5.676) 9.374 6.281 ( -7.081 -0.000 -1.958) 7.347 6.304 ( 13.306 0.000 -9.248) 16.204 6.987 ( -2.023 -0.000 -2.443) 3.172 7.080 ( -4.007 -0.000 3.489) 5.314 7.252 ( 0.159 0.000 -6.709) 6.711 7.519 ( -3.032 -0.000 -0.741) 3.122 7.557 ( -10.867 -0.000 9.467) 14.412 7.855 ( 3.721 0.000 -1.513) 4.017 7.908 ( 6.611 0.000 -9.210) 11.337 8.146 ( 2.942 0.000 0.319) 2.959 8.415 ( -2.137 -0.000 5.553) 5.950 8.511 ( -1.617 -0.000 -0.847) 1.826 8.724 ( 1.614 0.000 -0.408) 1.664 8.987 ( -0.767 -0.000 6.979) 7.021 9.106 ( -1.070 -0.000 -7.429) 7.506 10.303 ( -0.466 -0.000 -5.517) 5.537 10.712 ( 2.958 0.000 -7.909) 8.444 12.793 ( 4.722 0.000 -3.546) 5.906 12.982 ( 0.338 0.000 -9.112) 9.119 13.069 ( -0.613 -0.000 -0.603) 0.860 13.220 ( -8.517 -0.000 -5.742) 10.272 13.514 ( -3.174 -0.000 5.264) 6.147 13.576 ( -0.585 -0.000 0.398) 0.708 13.578 ( -8.547 -0.000 7.622) 11.452 14.094 ( 2.775 0.000 -0.255) 2.786 14.469 ( 2.953 0.000 4.268) 5.190 15.582 ( 4.197 0.000 -1.690) 4.524 16.602 ( -1.403 -0.000 6.371) 6.524 16.623 ( -6.100 -0.000 11.826) 13.307 17.839 ( -1.315 -0.000 -2.388) 2.727 18.278 ( 1.561 0.000 0.028) 1.561 18.519 ( -1.053 -0.000 -0.557) 1.191 18.562 ( 0.743 0.000 -0.196) 0.769 18.818 ( -3.833 -0.000 -8.346) 9.184 19.611 ( 6.628 0.000 -8.161) 10.513 19.932 ( -5.320 -0.000 15.280) 16.180 21.048 ( -4.415 -0.000 6.655) 7.986 21.429 ( -0.627 -0.000 -2.000) 2.096 21.787 ( 3.424 0.000 -0.132) 3.427 22.030 ( -2.513 -0.000 3.202) 4.070 22.954 ( 4.375 0.000 -3.748) 5.761 23.631 ( -2.041 -0.000 0.635) 2.138 23.643 ( -3.109 -0.000 -3.335) 4.560 23.721 ( 1.967 0.000 0.502) 2.030 24.519 ( 6.920 0.000 -2.995) 7.541 ======================= Grid point 68 (31/128) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -28.009 4.448 11.146) 30.471 1.478 ( 6.094 -15.133 13.466) 21.154 1.717 ( -9.026 -3.698 0.558) 9.770 1.863 ( 8.152 -2.106 20.990) 22.616 2.140 ( -7.945 1.567 -7.675) 11.157 2.430 ( -5.569 11.849 10.420) 16.733 2.532 ( 1.856 -5.927 2.545) 6.712 2.749 ( -2.045 -6.691 -0.613) 7.023 2.783 ( -1.784 -6.404 5.309) 8.507 3.048 ( 12.280 -1.387 13.071) 17.988 3.314 ( 5.014 1.237 -2.190) 5.609 3.366 ( 7.093 -0.909 15.230) 16.825 3.578 ( 3.941 0.075 4.147) 5.721 3.653 ( 0.449 -3.983 1.074) 4.150 3.839 ( -2.876 -4.962 20.134) 20.935 3.926 ( 2.231 8.815 3.039) 9.587 4.221 ( -2.103 -4.644 0.166) 5.100 4.369 ( -0.569 0.026 -2.903) 2.958 4.396 ( 0.921 -2.420 -1.971) 3.254 4.666 ( 0.737 6.934 8.730) 11.173 4.795 ( 1.224 9.943 0.213) 10.021 4.916 ( -11.556 0.634 1.454) 11.664 4.986 ( -9.383 6.918 -2.070) 11.840 5.352 ( 0.966 5.952 -2.715) 6.613 5.866 ( -2.080 -2.416 -3.005) 4.381 5.950 ( -2.106 -9.347 -1.875) 9.763 6.191 ( -8.644 -0.773 -2.160) 8.943 6.197 ( 3.915 -1.990 2.974) 5.304 6.435 ( 16.445 1.819 -4.298) 17.094 6.957 ( 0.870 4.691 -0.958) 4.866 7.041 ( 0.321 0.424 -0.988) 1.122 7.234 ( -2.908 -0.971 -5.120) 5.967 7.406 ( -5.078 6.078 -0.214) 7.923 7.494 ( -6.524 0.584 5.520) 8.566 7.847 ( 3.920 3.932 -3.842) 6.751 8.013 ( 2.182 -6.902 -6.044) 9.430 8.224 ( 5.264 -3.781 0.774) 6.527 8.346 ( -0.226 2.854 3.126) 4.238 8.584 ( -5.634 -7.829 0.770) 9.677 8.717 ( 0.561 1.972 0.813) 2.206 9.000 ( 0.186 -0.358 5.921) 5.935 9.119 ( 0.234 -4.334 -5.794) 7.239 10.285 ( -0.513 -0.841 -7.018) 7.087 10.716 ( 3.130 1.042 -6.812) 7.568 12.790 ( 2.825 4.797 -3.468) 6.559 12.901 ( -1.334 5.075 -6.646) 8.468 13.111 ( 0.201 -3.578 -2.015) 4.111 13.132 ( -5.168 -1.224 -8.803) 10.281 13.331 ( -2.466 8.891 6.738) 11.425 13.548 ( -2.069 0.177 0.045) 2.077 13.714 ( -5.196 -11.060 6.682) 13.927 14.133 ( 1.196 -2.126 0.102) 2.441 14.482 ( 2.755 3.881 5.523) 7.290 15.624 ( 3.598 -0.708 -2.067) 4.210 16.594 ( -3.163 -0.099 7.717) 8.341 16.621 ( -1.600 -0.573 9.037) 9.195 17.819 ( -2.020 -0.089 -2.192) 2.982 18.276 ( 2.833 1.685 -0.682) 3.366 18.511 ( -0.652 -0.195 0.293) 0.741 18.568 ( 0.881 0.233 -0.774) 1.195 18.783 ( -4.696 -2.744 -6.271) 8.301 19.639 ( 4.756 1.316 -6.824) 8.421 19.915 ( -4.479 0.729 14.674) 15.360 20.842 ( 1.082 20.317 8.019) 21.869 21.438 ( -0.510 -2.170 -2.255) 3.171 21.902 ( 0.702 -4.659 0.501) 4.738 22.022 ( -2.551 -4.168 0.751) 4.944 22.999 ( 3.629 -1.358 -2.800) 4.780 23.471 ( -2.913 7.287 -0.133) 7.849 23.765 ( 1.667 -2.925 0.895) 3.484 23.788 ( -1.950 -12.071 -2.802) 12.544 24.578 ( 5.086 -0.753 -4.013) 6.522 ======================= Grid point 69 (32/128) ======================= q-point: ( 0.57 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -24.573 4.341 14.626) 28.924 1.686 ( -7.942 -9.436 0.564) 12.346 1.831 ( 2.178 -13.896 3.609) 14.521 1.923 ( -9.281 -4.534 3.454) 10.891 2.141 ( 9.517 7.761 16.263) 20.379 2.267 ( 2.066 2.895 7.844) 8.613 2.663 ( 4.776 1.515 4.813) 6.948 2.761 ( -6.908 -6.443 -2.212) 9.702 2.915 ( 0.642 -7.796 3.573) 8.600 3.133 ( -0.906 -0.454 7.711) 7.777 3.351 ( 4.112 0.560 -1.354) 4.365 3.466 ( 1.094 -2.952 10.092) 10.572 3.651 ( 1.462 -2.858 8.283) 8.883 3.686 ( -3.637 -2.924 -2.964) 5.528 3.793 ( -5.238 3.611 15.085) 16.371 4.070 ( 13.173 -2.315 4.009) 13.963 4.216 ( -0.822 8.641 -3.447) 9.339 4.233 ( -2.913 9.632 -0.241) 10.065 4.468 ( -4.664 -3.196 -1.185) 5.777 4.581 ( -2.400 1.151 11.854) 12.149 4.658 ( 1.080 10.224 9.524) 14.014 4.726 ( -5.179 0.202 0.113) 5.184 4.887 ( -3.223 4.793 6.358) 8.590 5.322 ( -0.342 -1.674 -3.843) 4.206 5.718 ( -4.495 4.601 -5.198) 8.269 6.055 ( -5.199 -0.274 -1.381) 5.386 6.171 ( -1.574 -5.511 1.563) 5.941 6.366 ( 5.008 -11.770 -2.793) 13.092 6.559 ( 13.812 2.148 -0.016) 13.978 6.870 ( 0.522 6.129 1.770) 6.401 7.018 ( 1.238 6.683 -5.053) 8.469 7.192 ( -6.771 -2.225 -1.438) 7.271 7.288 ( 0.836 2.931 -6.336) 7.031 7.443 ( -4.178 -0.220 2.915) 5.099 7.797 ( 2.173 4.721 -4.119) 6.632 8.107 ( 0.667 -4.602 -3.885) 6.060 8.325 ( 2.178 -0.382 -2.185) 3.109 8.363 ( 1.054 -4.870 4.703) 6.852 8.593 ( -1.440 0.284 -0.048) 1.468 8.718 ( -2.346 -2.555 2.784) 4.448 9.024 ( -0.579 -0.992 3.504) 3.687 9.208 ( 2.476 -6.628 -3.589) 7.933 10.284 ( 0.060 -2.019 -8.171) 8.417 10.709 ( 2.815 1.555 -5.909) 6.727 12.699 ( 0.438 7.246 -4.026) 8.301 12.793 ( -2.799 3.518 -6.092) 7.571 13.030 ( -0.210 6.146 -0.822) 6.205 13.196 ( 0.671 -5.530 -5.422) 7.774 13.285 ( 0.988 -1.232 1.267) 2.025 13.530 ( -0.514 -0.055 -0.391) 0.648 13.820 ( -6.328 -8.464 6.039) 12.172 14.178 ( 0.148 -2.591 0.401) 2.626 14.446 ( 1.855 5.879 7.166) 9.453 15.662 ( 2.469 -0.812 -3.421) 4.296 16.589 ( -2.236 -0.269 6.775) 7.140 16.646 ( -1.564 -1.401 10.952) 11.152 17.787 ( -2.420 0.126 -1.956) 3.114 18.311 ( 4.959 -1.412 -1.657) 5.416 18.511 ( 0.013 -0.106 0.796) 0.803 18.570 ( 1.052 0.328 -1.368) 1.757 18.745 ( -5.364 -0.730 -4.392) 6.971 19.636 ( 3.912 2.596 -6.518) 8.033 19.901 ( -3.007 0.838 13.644) 13.996 20.555 ( -1.267 20.610 10.118) 22.994 21.473 ( 0.373 -3.181 -1.927) 3.737 21.896 ( -0.911 2.724 3.991) 4.917 22.124 ( -0.155 -9.089 -4.326) 10.068 23.027 ( 2.495 2.074 -3.063) 4.462 23.377 ( -1.853 1.092 1.333) 2.531 23.833 ( -0.122 -4.373 -0.839) 4.455 23.940 ( 0.632 -9.686 -1.217) 9.782 24.622 ( 2.757 -1.038 -5.478) 6.220 ======================= Grid point 70 (33/128) ======================= q-point: (-0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -6.469 2.138 21.324) 22.386 1.712 ( -3.082 5.098 13.380) 14.646 1.902 ( -3.606 -12.833 -6.977) 15.045 2.075 ( -5.711 -0.178 10.320) 11.796 2.117 ( -0.778 -12.608 3.546) 13.121 2.422 ( 15.241 0.339 7.735) 17.095 2.544 ( -6.961 6.607 1.821) 9.769 2.824 ( 2.137 1.659 0.301) 2.722 3.025 ( 1.134 -3.420 5.995) 6.994 3.137 ( -4.813 -3.109 0.908) 5.802 3.341 ( -1.965 2.470 -2.111) 3.797 3.534 ( -0.277 2.645 5.861) 6.436 3.623 ( -8.189 3.279 12.807) 15.551 3.680 ( -4.930 -0.244 0.793) 4.999 3.777 ( 3.881 5.803 2.301) 7.350 3.839 ( -2.794 13.771 12.482) 18.795 4.158 ( -5.628 -2.492 -0.357) 6.165 4.184 ( -2.480 1.097 2.540) 3.716 4.419 ( -1.535 2.333 3.960) 4.845 4.562 ( -2.232 1.534 1.455) 3.074 4.734 ( 0.010 -10.612 8.805) 13.789 4.764 ( -2.986 5.792 9.010) 11.119 4.823 ( 10.982 -2.804 6.838) 13.237 5.346 ( -2.815 -4.630 -3.701) 6.562 5.652 ( 2.502 1.537 -4.214) 5.136 5.977 ( -0.852 4.901 -0.359) 4.987 6.271 ( 0.304 -7.086 1.382) 7.226 6.514 ( 2.390 -2.404 0.978) 3.528 6.617 ( 3.620 4.116 -1.185) 5.608 6.810 ( -2.139 14.523 -5.510) 15.679 6.873 ( 1.831 -5.666 2.110) 6.317 7.195 ( -2.414 -4.953 -5.758) 7.969 7.296 ( 2.817 -2.668 -4.913) 6.260 7.434 ( -2.698 -2.344 -0.540) 3.615 7.746 ( 3.143 3.627 -3.085) 5.705 8.116 ( -1.489 2.288 -1.635) 3.183 8.306 ( -3.857 -1.166 -2.752) 4.880 8.480 ( 2.919 -5.065 3.683) 6.909 8.585 ( 4.790 3.700 -1.697) 6.286 8.743 ( -3.561 -3.588 4.840) 6.999 9.033 ( -2.036 -0.951 1.375) 2.635 9.319 ( 3.529 -4.043 -3.061) 6.179 10.300 ( 0.390 -2.640 -8.946) 9.336 10.703 ( 2.698 0.753 -5.637) 6.295 12.589 ( 1.211 5.974 -2.016) 6.420 12.712 ( -2.629 1.047 -5.746) 6.405 12.962 ( 2.136 3.921 0.708) 4.521 13.257 ( 0.296 -3.632 -4.317) 5.649 13.337 ( 1.693 -1.806 -0.181) 2.482 13.553 ( 3.758 -1.613 -2.873) 4.998 13.871 ( -7.077 -5.641 4.846) 10.266 14.212 ( -0.302 -1.905 0.550) 2.006 14.393 ( 0.298 5.138 8.567) 9.994 15.673 ( 0.495 0.113 -5.638) 5.661 16.591 ( -1.775 -0.269 6.225) 6.479 16.688 ( -3.164 -2.594 14.326) 14.899 17.769 ( -0.278 -0.949 -2.126) 2.345 18.373 ( -2.635 -3.077 -3.467) 5.332 18.530 ( 1.758 -0.617 1.754) 2.559 18.586 ( 4.715 -0.241 -1.737) 5.030 18.677 ( -0.849 2.474 -2.722) 3.775 19.597 ( 3.293 5.602 -7.668) 10.051 19.907 ( -1.225 0.117 13.102) 13.160 20.261 ( -7.482 15.095 13.979) 21.892 21.518 ( 1.114 -1.800 -1.783) 2.767 21.869 ( -1.103 0.436 4.279) 4.440 22.244 ( 1.455 -7.422 -5.968) 9.634 22.966 ( 0.775 6.094 -2.822) 6.760 23.405 ( -0.096 -4.399 1.643) 4.696 23.876 ( -2.336 -3.189 -2.166) 4.507 24.094 ( 5.055 -6.726 0.267) 8.418 24.626 ( -0.671 0.094 -8.227) 8.255 ======================= Grid point 71 (34/128) ======================= q-point: (-0.14 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 12.949 -0.630 20.684) 24.411 1.606 ( 3.817 14.390 25.032) 29.124 2.034 ( -3.807 -4.674 -6.061) 8.548 2.097 ( -3.275 -8.186 -2.282) 9.107 2.198 ( -14.950 -6.603 5.531) 17.254 2.421 ( -3.090 2.222 9.774) 10.489 2.586 ( 19.010 9.629 4.363) 21.752 2.694 ( -1.885 9.448 0.925) 9.678 3.042 ( -8.508 4.709 -8.817) 13.126 3.086 ( 0.707 2.599 8.414) 8.835 3.197 ( -1.060 5.671 5.017) 7.645 3.423 ( -5.014 6.568 7.867) 11.409 3.562 ( -1.247 -6.741 2.905) 7.445 3.694 ( -7.164 1.002 20.360) 21.607 3.730 ( 0.702 7.358 0.619) 7.418 3.824 ( -0.979 -6.104 1.326) 6.323 4.044 ( -13.077 -3.221 1.441) 13.545 4.250 ( 2.055 -5.865 2.946) 6.877 4.391 ( 2.354 3.571 5.889) 7.278 4.511 ( 0.586 4.665 3.113) 5.639 4.668 ( -4.118 3.236 7.884) 9.465 4.979 ( 0.824 -14.209 5.566) 15.283 5.003 ( 4.420 -7.606 2.782) 9.226 5.405 ( 0.659 -6.550 -1.814) 6.828 5.652 ( 4.438 3.955 -1.319) 6.089 5.904 ( 7.067 7.880 -0.538) 10.599 6.317 ( 1.457 5.904 -4.020) 7.290 6.514 ( -5.803 7.080 0.869) 9.195 6.537 ( -2.588 4.597 -1.532) 5.493 6.624 ( 2.011 -3.564 1.399) 4.325 7.055 ( 0.845 -12.897 -1.030) 12.966 7.223 ( -2.018 -3.541 -3.373) 5.290 7.393 ( 4.011 -5.648 -5.740) 8.996 7.434 ( -4.391 -3.243 -2.292) 5.921 7.751 ( 4.571 0.303 -1.604) 4.854 8.030 ( -0.096 5.797 -0.150) 5.800 8.274 ( -3.379 -0.132 -2.955) 4.491 8.528 ( 0.251 6.781 -0.654) 6.817 8.585 ( 1.718 -3.814 1.006) 4.302 8.793 ( 1.004 -3.061 5.485) 6.361 9.004 ( -4.021 1.475 0.161) 4.286 9.368 ( 2.530 0.805 -4.597) 5.308 10.315 ( 0.373 -1.728 -8.589) 8.769 10.709 ( 2.192 -0.117 -6.711) 7.061 12.574 ( 5.882 0.035 3.513) 6.851 12.681 ( -1.539 -2.291 -6.267) 6.848 12.955 ( 2.498 0.455 -0.069) 2.540 13.285 ( 1.081 -0.442 -4.452) 4.603 13.363 ( -1.288 -1.635 1.773) 2.734 13.619 ( 4.479 -0.864 -3.345) 5.656 13.883 ( -2.553 -2.266 1.250) 3.635 14.238 ( -0.796 -2.267 0.598) 2.476 14.341 ( -2.423 3.893 9.201) 10.280 15.635 ( -1.203 1.850 -7.008) 7.347 16.593 ( -1.512 -0.143 5.946) 6.137 16.727 ( -7.511 -3.605 17.619) 19.489 17.810 ( 4.203 -2.560 -2.573) 5.554 18.292 ( -11.434 1.310 -3.189) 11.943 18.543 ( -0.389 -0.266 0.516) 0.699 18.587 ( -1.527 1.415 0.864) 2.254 18.794 ( 19.595 -4.184 -6.458) 21.052 19.482 ( 2.162 9.626 -7.956) 12.674 19.952 ( 0.900 -1.229 12.753) 12.843 20.070 ( -9.883 2.299 21.266) 23.563 21.530 ( 1.049 1.076 -1.898) 2.421 21.888 ( -1.518 -3.147 3.797) 5.160 22.330 ( 0.016 -4.132 -7.250) 8.344 22.879 ( 2.094 5.396 -2.115) 6.163 23.482 ( -0.774 -5.123 1.393) 5.365 23.866 ( -3.431 -0.344 -2.517) 4.269 24.242 ( 7.961 -3.396 0.196) 8.657 24.531 ( -5.959 5.266 -12.371) 14.706 ======================= Grid point 75 (35/128) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -27.742 -0.000 16.908) 32.488 1.499 ( 9.259 0.000 11.624) 14.861 1.569 ( -12.220 -0.000 2.511) 12.475 1.855 ( -11.862 -0.000 1.050) 11.908 2.203 ( 13.278 0.000 15.690) 20.554 2.388 ( -4.559 -0.000 1.812) 4.906 2.611 ( -6.072 -0.000 14.592) 15.805 2.643 ( 0.546 0.000 1.465) 1.563 2.711 ( 0.187 0.000 -0.563) 0.594 3.199 ( 5.666 0.000 14.679) 15.735 3.395 ( 8.945 0.000 -6.573) 11.100 3.460 ( 0.095 0.000 10.924) 10.925 3.605 ( -0.272 -0.000 -1.337) 1.364 3.626 ( 0.159 0.000 -1.288) 1.297 3.827 ( -6.003 -0.000 24.770) 25.487 3.988 ( -0.068 -0.000 7.037) 7.037 4.134 ( -0.067 -0.000 -1.576) 1.577 4.364 ( -2.500 -0.000 -3.326) 4.161 4.376 ( -0.378 -0.000 -3.008) 3.031 4.741 ( -3.402 -0.000 0.745) 3.483 4.813 ( -1.775 -0.000 12.224) 12.352 4.847 ( 0.946 0.000 -4.546) 4.643 5.031 ( 0.387 0.000 -1.558) 1.606 5.508 ( 1.733 0.000 -1.518) 2.304 5.735 ( 3.435 0.000 -0.508) 3.473 5.861 ( -6.211 -0.000 -5.076) 8.022 6.090 ( -7.491 -0.000 -1.873) 7.721 6.218 ( 0.139 0.000 5.667) 5.668 6.616 ( 16.415 0.000 -1.311) 16.467 6.996 ( -5.483 -0.000 -1.064) 5.585 7.026 ( 5.637 0.000 -5.837) 8.114 7.199 ( -1.459 -0.000 -5.180) 5.382 7.408 ( -8.584 -0.000 12.032) 14.780 7.439 ( -3.152 -0.000 -3.116) 4.432 7.911 ( 2.470 0.000 -3.464) 4.254 7.965 ( 3.995 0.000 -7.277) 8.302 8.249 ( 5.448 0.000 -0.353) 5.460 8.389 ( -2.939 -0.000 5.187) 5.962 8.442 ( -4.222 -0.000 -0.815) 4.300 8.743 ( -0.037 -0.000 1.641) 1.641 9.004 ( -0.978 -0.000 5.696) 5.779 9.089 ( 2.555 0.000 -3.877) 4.644 10.250 ( -0.412 -0.000 -8.600) 8.610 10.742 ( 3.169 0.000 -5.846) 6.650 12.863 ( 3.446 0.000 -3.157) 4.674 12.890 ( -4.537 -0.000 -15.503) 16.153 13.044 ( -1.322 -0.000 -0.971) 1.640 13.066 ( -0.696 -0.000 -2.553) 2.646 13.431 ( -4.017 -0.000 -1.418) 4.260 13.489 ( -4.469 -0.000 7.907) 9.083 13.612 ( 1.019 0.000 5.505) 5.599 14.124 ( 0.362 0.000 -0.360) 0.511 14.555 ( 2.154 0.000 6.351) 6.706 15.644 ( 2.114 0.000 -1.614) 2.660 16.585 ( -2.227 -0.000 6.887) 7.239 16.628 ( -1.079 -0.000 9.126) 9.189 17.800 ( -0.918 -0.000 -2.549) 2.709 18.293 ( 0.133 0.000 -1.560) 1.566 18.510 ( 0.029 0.000 1.471) 1.471 18.579 ( 1.077 0.000 -0.895) 1.400 18.716 ( -1.779 -0.000 -4.694) 5.020 19.672 ( 3.365 0.000 -5.615) 6.546 19.917 ( -3.890 -0.000 14.368) 14.886 21.021 ( -1.593 -0.000 3.847) 4.164 21.415 ( 0.285 0.000 -1.668) 1.692 21.854 ( 2.816 0.000 -0.999) 2.988 21.988 ( -3.007 -0.000 3.855) 4.889 23.007 ( 2.305 0.000 -1.717) 2.874 23.597 ( -0.434 0.000 -1.333) 1.401 23.597 ( -0.577 0.000 -1.137) 1.275 23.758 ( 0.988 0.000 1.396) 1.710 24.600 ( 2.582 0.000 -4.948) 5.581 ======================= Grid point 76 (36/128) ======================= q-point: (-0.43 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -9.672 2.433 19.739) 22.115 1.458 ( -13.134 -6.369 -0.627) 14.610 1.705 ( 4.197 -7.543 6.972) 11.096 1.733 ( -11.440 -4.920 2.604) 12.723 2.325 ( -6.207 2.586 6.666) 9.469 2.427 ( 14.707 4.196 19.432) 24.728 2.576 ( -2.184 -5.889 3.482) 7.182 2.697 ( 3.385 -2.387 1.138) 4.295 2.790 ( -1.877 -7.827 4.516) 9.230 3.220 ( -2.021 4.309 8.871) 10.067 3.376 ( -14.488 -2.251 6.831) 16.175 3.427 ( 4.000 3.696 -2.657) 6.060 3.594 ( -3.735 -1.198 2.326) 4.560 3.660 ( 0.460 -2.283 -0.207) 2.338 3.785 ( -6.883 0.365 13.689) 15.326 4.067 ( -5.449 -2.107 7.249) 9.310 4.190 ( 6.625 -3.927 2.060) 7.972 4.311 ( -2.870 0.486 -4.276) 5.173 4.359 ( -3.637 -2.263 -4.240) 6.028 4.695 ( 0.034 4.386 1.330) 4.584 4.772 ( 4.140 7.591 8.275) 11.968 4.922 ( 2.036 3.899 3.663) 5.724 4.963 ( 6.945 7.937 9.656) 14.299 5.348 ( -0.164 8.969 -2.890) 9.424 5.751 ( -1.382 5.607 -6.225) 8.491 5.917 ( -3.889 -10.576 -4.951) 12.308 6.095 ( 2.294 -7.138 0.827) 7.543 6.250 ( -0.643 -4.335 3.803) 5.802 6.747 ( 9.645 2.906 4.836) 11.174 6.931 ( -1.343 2.098 -3.613) 4.389 7.055 ( 3.121 -0.446 -9.244) 9.767 7.161 ( -2.021 2.890 1.331) 3.769 7.305 ( -4.410 4.729 1.464) 6.630 7.411 ( -2.128 -0.209 -0.835) 2.296 7.884 ( 1.942 4.253 -3.898) 6.087 8.030 ( 2.455 -4.680 -4.724) 7.089 8.303 ( -3.325 -1.181 2.611) 4.389 8.364 ( 4.741 -0.372 -2.371) 5.314 8.479 ( -4.118 -8.154 3.189) 9.675 8.730 ( -0.232 1.845 1.712) 2.528 9.006 ( -1.719 -0.121 3.796) 4.169 9.154 ( 4.389 -4.585 -1.088) 6.440 10.234 ( 0.390 -1.221 -9.612) 9.697 10.748 ( 2.700 1.280 -5.130) 5.937 12.745 ( -4.865 4.511 -14.523) 15.967 12.835 ( 1.235 5.163 -2.770) 5.988 13.077 ( -0.050 -3.710 -4.034) 5.481 13.105 ( 2.696 -2.487 -0.566) 3.712 13.321 ( -0.547 4.545 1.464) 4.806 13.507 ( -1.835 -2.114 1.195) 3.043 13.682 ( -1.713 -5.184 6.258) 8.305 14.138 ( -0.586 -2.065 -0.353) 2.175 14.560 ( 1.085 3.906 7.614) 8.626 15.658 ( 0.428 -0.599 -2.116) 2.240 16.584 ( -1.523 -0.102 6.234) 6.418 16.648 ( -1.077 -0.529 10.837) 10.904 17.778 ( -0.263 0.911 -2.674) 2.838 18.297 ( -0.365 -1.443 -2.283) 2.726 18.519 ( 0.641 -0.158 1.827) 1.942 18.586 ( 1.217 0.160 -0.846) 1.491 18.702 ( 0.382 -0.363 -4.072) 4.106 19.682 ( 2.889 1.041 -5.297) 6.122 19.915 ( -3.223 0.225 13.821) 14.194 20.856 ( -3.278 18.246 5.191) 19.252 21.437 ( 1.453 -2.324 -1.045) 2.933 21.939 ( 1.730 -0.647 1.940) 2.678 21.970 ( -2.251 -6.287 -0.489) 6.696 23.040 ( 1.505 -1.471 -1.733) 2.727 23.444 ( 0.236 8.219 0.208) 8.225 23.736 ( -0.934 -6.653 -2.244) 7.083 23.827 ( 2.605 -7.942 1.989) 8.592 24.605 ( -0.087 -0.759 -5.904) 5.953 ======================= Grid point 77 (37/128) ======================= q-point: (-0.29 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 10.674 2.517 18.488) 21.496 1.545 ( -3.419 -17.536 -3.233) 18.156 1.663 ( -13.253 -7.625 5.144) 16.132 1.967 ( 4.720 -11.541 3.940) 13.077 2.171 ( -5.212 9.840 10.418) 15.249 2.441 ( -9.703 3.695 -0.819) 10.415 2.653 ( 7.977 0.200 12.853) 15.128 2.825 ( 2.700 -3.667 -0.353) 4.567 2.948 ( 5.787 -8.917 7.774) 13.170 3.150 ( -5.943 -1.879 4.494) 7.684 3.307 ( -9.581 -0.562 5.838) 11.234 3.433 ( -6.031 -6.120 0.631) 8.615 3.554 ( -4.426 2.070 2.910) 5.687 3.622 ( -8.576 0.591 13.785) 16.246 3.778 ( -0.960 -0.459 0.324) 1.112 4.008 ( -9.657 1.175 2.230) 9.980 4.170 ( -1.054 11.925 -2.104) 12.155 4.335 ( -2.073 -8.083 -2.120) 8.610 4.362 ( 4.575 6.166 1.632) 7.849 4.528 ( -4.921 7.561 7.449) 11.700 4.727 ( -0.393 3.000 11.764) 12.147 4.886 ( 6.603 6.645 6.870) 11.617 5.019 ( 11.048 5.768 9.179) 15.479 5.280 ( 0.299 -0.511 -4.660) 4.698 5.688 ( 3.795 0.951 -5.364) 6.639 5.973 ( -0.187 -4.664 -5.109) 6.920 6.221 ( 4.461 -2.414 3.465) 6.143 6.391 ( -1.509 -12.043 -1.578) 12.239 6.731 ( -5.528 2.007 6.872) 9.045 6.846 ( -0.247 8.402 -0.644) 8.430 7.034 ( 1.707 12.298 -3.488) 12.896 7.108 ( 4.593 -3.350 -6.995) 9.014 7.240 ( -2.001 -1.590 -2.066) 3.286 7.407 ( 0.942 -0.694 -3.301) 3.502 7.831 ( 2.443 3.943 -2.743) 5.389 8.092 ( -0.161 -2.467 -4.058) 4.752 8.257 ( -4.936 -0.024 1.516) 5.164 8.437 ( 1.775 -4.000 2.129) 4.866 8.620 ( 3.321 -8.468 0.697) 9.123 8.691 ( -1.662 2.755 1.464) 3.535 8.993 ( -2.795 -0.328 1.550) 3.213 9.286 ( 4.684 -5.496 -0.067) 7.221 10.243 ( 1.251 -2.219 -9.743) 10.070 10.737 ( 2.437 1.628 -4.875) 5.688 12.604 ( -4.265 2.177 -11.887) 12.815 12.755 ( 1.329 5.739 -1.539) 6.089 13.063 ( 0.960 4.284 -0.287) 4.400 13.177 ( 1.767 -4.476 -3.448) 5.920 13.330 ( 1.916 -1.750 -0.654) 2.676 13.547 ( 3.296 -3.344 -2.207) 5.188 13.742 ( -3.906 -4.609 6.102) 8.587 14.169 ( -1.045 -2.955 0.066) 3.135 14.507 ( -0.454 6.155 8.873) 10.808 15.653 ( -1.215 -0.265 -3.502) 3.716 16.588 ( -1.283 -0.106 6.073) 6.208 16.676 ( -1.908 -0.604 13.228) 13.379 17.768 ( 2.104 0.024 -2.681) 3.408 18.291 ( -4.428 -0.839 -2.490) 5.149 18.534 ( 0.382 -0.288 1.174) 1.268 18.600 ( 0.245 -0.449 0.636) 0.816 18.727 ( 7.542 -0.866 -5.512) 9.381 19.670 ( 2.790 2.629 -6.308) 7.382 19.924 ( -2.336 -0.445 13.464) 13.673 20.480 ( -10.651 21.974 8.987) 26.020 21.498 ( 2.341 -2.687 -0.666) 3.625 21.901 ( -0.763 3.325 4.343) 5.522 22.119 ( 2.163 -9.689 -4.748) 11.005 23.034 ( -0.309 2.845 -2.967) 4.122 23.384 ( 1.631 1.082 1.663) 2.568 23.792 ( -1.455 -4.063 -1.543) 4.583 24.030 ( 6.347 -10.491 1.375) 12.339 24.581 ( -3.138 -0.322 -7.158) 7.822 ======================= Grid point 78 (38/128) ======================= q-point: (-0.14 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 20.254 0.006 13.613) 24.404 1.718 ( -8.656 -12.014 9.952) 17.841 1.827 ( -1.346 -17.824 -0.700) 17.888 1.969 ( -8.329 9.554 2.873) 12.996 2.086 ( -1.394 0.711 -0.213) 1.579 2.361 ( -2.514 -5.701 7.758) 9.951 2.678 ( -4.818 2.168 -4.156) 6.722 2.879 ( 8.363 4.373 6.537) 11.480 3.064 ( 0.207 4.324 2.111) 4.816 3.172 ( 0.355 2.109 13.982) 14.145 3.285 ( -1.348 0.022 2.826) 3.131 3.362 ( -12.611 -12.251 1.513) 17.647 3.545 ( -5.860 3.256 13.559) 15.125 3.654 ( 0.095 -7.697 2.842) 8.205 3.758 ( -5.816 1.256 2.907) 6.623 3.825 ( -5.687 6.916 0.525) 8.969 3.903 ( -3.402 13.264 5.003) 14.579 4.304 ( 2.050 4.014 7.204) 8.498 4.435 ( 2.122 -2.513 1.220) 3.508 4.517 ( -4.582 -4.524 4.860) 8.067 4.735 ( -3.799 1.798 10.297) 11.122 4.826 ( 3.197 2.445 4.296) 5.887 5.031 ( 1.585 3.057 -0.986) 3.582 5.362 ( 7.216 -3.976 2.116) 8.506 5.732 ( 5.034 0.165 -2.004) 5.420 6.041 ( 6.243 -1.213 -3.977) 7.501 6.304 ( 1.686 -2.053 1.616) 3.110 6.437 ( -9.070 -2.048 -1.579) 9.431 6.637 ( -2.146 7.735 2.435) 8.389 6.760 ( -1.687 4.569 -1.860) 5.214 6.892 ( 3.918 -0.445 -4.380) 5.893 7.127 ( -4.456 -1.662 -4.700) 6.687 7.319 ( 5.282 -4.670 -0.187) 7.053 7.416 ( 1.240 -0.091 -5.810) 5.941 7.804 ( 1.735 2.004 -1.130) 2.882 8.083 ( 0.830 1.181 -4.135) 4.380 8.240 ( -1.615 -1.028 2.741) 3.343 8.519 ( -1.341 -4.783 2.344) 5.493 8.609 ( -2.037 5.172 -0.257) 5.565 8.777 ( 4.908 -5.292 1.842) 7.449 8.964 ( -4.031 -0.062 0.059) 4.032 9.382 ( 2.730 -1.583 -2.260) 3.881 10.271 ( 2.147 -2.249 -8.480) 9.032 10.724 ( 1.992 1.258 -5.801) 6.261 12.549 ( -2.121 -3.356 -7.437) 8.431 12.695 ( 2.052 3.715 -0.095) 4.245 13.015 ( 1.468 3.150 0.332) 3.491 13.246 ( 1.803 -3.375 -6.002) 7.118 13.346 ( -0.718 -0.044 -0.184) 0.742 13.624 ( 1.100 -1.264 -2.126) 2.707 13.818 ( 2.912 -6.296 2.758) 7.465 14.200 ( -1.047 -2.302 0.640) 2.608 14.419 ( -2.947 6.375 10.054) 12.264 15.623 ( -1.322 0.670 -4.576) 4.810 16.594 ( -1.241 -0.099 6.200) 6.324 16.689 ( -3.998 0.088 14.882) 15.410 17.821 ( 6.157 -2.291 -2.693) 7.100 18.206 ( -8.399 1.949 -1.694) 8.787 18.540 ( 0.113 -0.061 0.123) 0.178 18.591 ( -1.507 0.718 1.471) 2.225 18.873 ( 13.662 -4.884 -8.971) 17.059 19.605 ( 1.387 6.930 -8.956) 11.409 19.959 ( -1.675 -2.098 12.656) 12.937 20.107 ( -13.362 11.390 17.903) 25.076 21.545 ( 1.737 -0.676 -1.440) 2.355 21.867 ( -1.104 1.104 4.220) 4.499 22.251 ( 2.470 -5.567 -5.951) 8.515 22.960 ( -0.053 4.112 -2.945) 5.058 23.420 ( 0.641 -2.351 1.628) 2.931 23.822 ( -0.798 -1.837 -1.143) 2.306 24.256 ( 9.203 -7.173 0.439) 11.676 24.496 ( -6.299 2.580 -8.646) 11.004 ======================= Grid point 83 (39/128) ======================= q-point: (-0.43 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 11.155 0.000 16.907) 20.256 1.232 ( -18.400 -0.000 2.343) 18.549 1.538 ( -17.099 -0.000 4.146) 17.594 1.749 ( 6.885 0.000 8.805) 11.178 2.272 ( -2.875 -0.000 -1.969) 3.485 2.566 ( -1.694 -0.000 9.947) 10.090 2.654 ( -4.400 -0.000 -3.096) 5.380 2.691 ( 13.609 0.000 21.992) 25.862 2.752 ( 7.829 0.000 5.188) 9.392 3.012 ( -32.747 -0.000 -5.637) 33.229 3.348 ( -2.482 -0.000 21.380) 21.524 3.477 ( -3.101 -0.000 -2.250) 3.831 3.587 ( 2.706 0.000 -1.195) 2.958 3.605 ( -2.347 -0.000 3.027) 3.830 3.753 ( -7.677 -0.000 18.211) 19.763 4.068 ( -5.105 -0.000 -4.852) 7.042 4.166 ( 1.383 0.000 11.755) 11.836 4.271 ( -3.423 -0.000 -6.542) 7.383 4.297 ( -1.176 -0.000 -6.826) 6.926 4.719 ( -2.949 -0.000 6.824) 7.434 4.974 ( 9.698 0.000 -0.650) 9.720 5.000 ( 12.045 0.000 12.671) 17.482 5.075 ( 3.792 0.000 0.191) 3.796 5.526 ( 0.238 0.000 -1.267) 1.289 5.688 ( -5.688 -0.000 -3.722) 6.798 5.808 ( 4.406 0.000 -5.986) 7.433 6.023 ( -0.395 -0.000 -0.591) 0.711 6.241 ( 1.356 0.000 4.191) 4.404 6.756 ( -11.055 -0.000 3.273) 11.529 7.027 ( 16.984 0.000 -1.809) 17.080 7.042 ( -1.736 -0.000 -9.244) 9.405 7.187 ( 2.797 0.000 0.153) 2.801 7.332 ( -5.278 -0.000 12.062) 13.166 7.384 ( 0.912 0.000 -7.636) 7.690 7.922 ( 0.738 0.000 -3.784) 3.856 8.013 ( 3.318 0.000 -4.271) 5.408 8.282 ( -3.399 -0.000 -0.341) 3.416 8.352 ( -3.117 -0.000 4.225) 5.250 8.393 ( 1.957 0.000 -1.793) 2.654 8.742 ( -0.969 -0.000 1.726) 1.979 9.006 ( -1.735 -0.000 5.464) 5.733 9.161 ( 5.105 0.000 -1.200) 5.244 10.207 ( 1.472 0.000 -10.387) 10.491 10.769 ( 2.100 0.000 -4.753) 5.197 12.684 ( -4.486 -0.000 -20.460) 20.946 12.878 ( -1.123 -0.000 -3.440) 3.619 13.023 ( 0.769 0.000 -1.732) 1.895 13.136 ( 6.070 0.000 1.864) 6.350 13.358 ( -1.801 -0.000 -1.963) 2.665 13.461 ( -1.036 -0.000 2.782) 2.969 13.663 ( 0.760 0.000 5.653) 5.703 14.108 ( -1.405 -0.000 -0.902) 1.670 14.618 ( -0.134 -0.000 8.419) 8.420 15.644 ( -1.271 -0.000 -1.458) 1.934 16.587 ( -1.083 -0.000 5.901) 6.000 16.668 ( -0.428 -0.000 12.690) 12.697 17.781 ( 0.820 0.000 -3.320) 3.420 18.274 ( -0.660 -0.000 -2.386) 2.476 18.529 ( 0.751 0.000 1.557) 1.728 18.592 ( 0.190 0.000 0.285) 0.342 18.708 ( 3.536 0.000 -5.111) 6.215 19.703 ( 2.487 0.000 -4.944) 5.535 19.917 ( -3.740 -0.000 13.189) 13.710 21.017 ( -0.950 -0.000 5.193) 5.279 21.423 ( 1.210 0.000 -1.140) 1.662 21.856 ( -2.040 -0.000 -1.883) 2.776 21.980 ( 0.371 0.000 4.337) 4.353 23.037 ( 1.263 0.000 -0.700) 1.444 23.580 ( -0.183 -0.000 -0.822) 0.842 23.626 ( 3.307 0.000 -1.117) 3.491 23.775 ( -0.222 -0.000 1.947) 1.960 24.568 ( -2.520 -0.000 -6.325) 6.808 ======================= Grid point 84 (40/128) ======================= q-point: (-0.29 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 13.700 0.922 11.589) 17.968 1.203 ( -7.226 -16.359 2.193) 18.018 1.423 ( -14.093 -5.347 8.645) 17.376 1.890 ( 5.431 -7.232 5.863) 10.778 2.199 ( -9.016 4.346 -4.617) 11.022 2.465 ( -7.934 7.632 6.718) 12.897 2.657 ( -5.099 -3.742 1.770) 6.568 2.735 ( -21.967 -13.812 -2.733) 26.091 2.884 ( 11.874 -3.004 9.928) 15.767 2.963 ( 9.279 -4.874 14.697) 18.051 3.326 ( -3.942 3.940 12.665) 13.837 3.419 ( -4.228 2.948 0.845) 5.223 3.520 ( -5.459 1.351 10.505) 11.915 3.621 ( -4.948 3.404 9.510) 11.247 3.763 ( -1.745 -2.952 3.884) 5.181 3.985 ( -5.043 1.914 7.015) 8.849 4.141 ( -5.135 -1.331 -4.879) 7.208 4.251 ( -1.272 0.183 -7.445) 7.555 4.338 ( 0.875 -6.428 -0.223) 6.491 4.663 ( -5.410 4.748 7.855) 10.654 4.925 ( 2.216 16.535 6.905) 18.055 5.058 ( 9.539 1.833 0.397) 9.722 5.241 ( 8.066 5.456 8.934) 13.215 5.319 ( 2.770 5.184 -2.320) 6.319 5.751 ( 1.192 3.233 -5.884) 6.819 5.829 ( 1.474 -9.006 -7.554) 11.846 6.143 ( -1.901 -13.399 0.500) 13.542 6.287 ( 4.577 -0.717 2.612) 5.318 6.628 ( -13.600 -0.142 1.868) 13.728 6.966 ( -3.025 4.337 -3.585) 6.389 7.160 ( 6.456 5.712 1.936) 8.835 7.215 ( 8.414 3.819 -3.607) 9.919 7.264 ( 3.559 3.403 4.094) 6.404 7.390 ( 0.535 -1.151 -4.784) 4.950 7.891 ( 0.310 2.962 -2.812) 4.096 8.046 ( 0.619 -2.099 -3.871) 4.447 8.208 ( -4.488 0.926 1.490) 4.819 8.404 ( -1.245 -2.988 4.320) 5.398 8.486 ( 3.271 -11.195 -2.962) 12.033 8.720 ( -1.319 1.760 0.538) 2.265 8.987 ( -2.086 1.467 4.604) 5.263 9.254 ( 4.724 -4.744 -0.318) 6.703 10.210 ( 2.684 -1.299 -10.172) 10.600 10.767 ( 1.739 1.053 -4.693) 5.114 12.555 ( -4.413 2.722 -18.049) 18.778 12.831 ( -0.756 2.620 -4.033) 4.868 13.041 ( -0.204 -1.690 -2.371) 2.919 13.213 ( 4.826 0.798 1.795) 5.211 13.325 ( 0.421 0.234 -0.597) 0.767 13.511 ( 3.672 -4.636 -2.279) 6.338 13.694 ( -0.377 -1.348 5.739) 5.907 14.109 ( -1.730 -2.552 -0.739) 3.171 14.601 ( -1.763 4.042 9.229) 10.229 15.623 ( -2.328 -0.368 -1.859) 3.002 16.592 ( -1.048 -0.001 5.863) 5.955 16.704 ( -0.014 0.492 15.730) 15.737 17.786 ( 2.686 -0.185 -3.429) 4.360 18.251 ( -2.271 1.021 -2.106) 3.261 18.540 ( 0.583 0.046 0.688) 0.903 18.595 ( -0.631 -0.184 1.380) 1.528 18.761 ( 7.313 -2.411 -7.364) 10.655 19.707 ( 2.323 1.019 -5.991) 6.506 19.914 ( -4.399 -0.812 12.124) 12.923 20.768 ( -8.376 26.279 8.655) 28.908 21.479 ( 2.358 -3.186 0.028) 3.963 21.936 ( -0.162 -6.754 0.792) 6.802 21.988 ( 2.038 -2.809 0.179) 3.475 23.042 ( -0.567 0.792 -1.695) 1.955 23.479 ( 2.746 6.838 0.387) 7.379 23.722 ( 0.522 -3.854 -0.655) 3.944 23.905 ( 4.275 -13.554 1.308) 14.272 24.516 ( -4.782 -0.262 -6.733) 8.263 ======================= Grid point 85 (41/128) ======================= q-point: (-0.14 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 14.777 -4.260 8.692) 17.665 1.388 ( -12.613 -16.393 7.640) 22.049 1.510 ( -5.678 -10.900 0.522) 12.301 1.972 ( -7.257 0.769 -0.466) 7.312 2.090 ( 4.515 -6.519 0.397) 7.940 2.355 ( -1.309 3.210 12.944) 13.400 2.633 ( -7.500 -2.916 -0.528) 8.064 2.806 ( -15.859 -16.007 0.763) 22.546 3.034 ( 4.664 0.402 8.891) 10.048 3.158 ( 5.364 -2.203 5.281) 7.843 3.277 ( -0.069 2.860 13.897) 14.188 3.286 ( -5.054 2.624 -3.435) 6.650 3.511 ( -4.511 -2.044 15.649) 16.414 3.586 ( 0.390 -1.959 13.992) 14.133 3.749 ( -2.015 1.925 -0.503) 2.832 3.883 ( -4.650 7.524 3.200) 9.406 4.075 ( -6.229 4.144 -0.537) 7.500 4.316 ( 2.515 -8.540 -3.323) 9.503 4.409 ( -3.873 -4.109 0.504) 5.669 4.501 ( 0.163 12.056 7.998) 14.469 4.732 ( -5.082 6.917 11.283) 14.177 5.067 ( 7.739 11.681 2.107) 14.170 5.094 ( -1.780 6.726 -3.995) 8.023 5.435 ( 8.858 -0.027 5.606) 10.483 5.747 ( 2.241 -2.192 -3.472) 4.678 5.957 ( -0.211 -8.662 -7.519) 11.472 6.254 ( -10.144 -7.085 -3.938) 12.985 6.369 ( 7.058 -0.147 1.695) 7.260 6.557 ( -7.973 -8.254 5.482) 12.718 6.807 ( -3.636 11.307 2.920) 12.231 7.095 ( -0.656 3.836 -3.061) 4.951 7.113 ( 7.587 12.165 -7.128) 16.011 7.374 ( 7.463 -0.513 -2.979) 8.052 7.403 ( 3.613 0.018 -0.807) 3.702 7.833 ( -1.959 2.566 -1.339) 3.495 8.072 ( 1.252 -2.031 -3.816) 4.500 8.200 ( -1.486 -3.398 2.047) 4.236 8.454 ( -0.911 -2.973 4.212) 5.235 8.631 ( -2.594 0.392 -3.382) 4.280 8.725 ( 4.573 -7.341 -0.054) 8.649 8.950 ( -2.246 1.858 4.148) 5.069 9.362 ( 2.451 -3.766 -2.002) 4.919 10.250 ( 4.474 -2.190 -8.650) 9.982 10.750 ( 1.409 1.600 -5.435) 5.838 12.453 ( -3.905 -1.493 -11.333) 12.080 12.770 ( 0.661 3.662 -2.877) 4.704 13.038 ( -1.573 0.361 -1.438) 2.162 13.241 ( 4.412 0.134 -2.110) 4.892 13.328 ( -1.334 -0.540 -1.500) 2.078 13.609 ( 1.223 -0.944 -2.065) 2.579 13.777 ( 6.405 -6.693 2.920) 9.713 14.143 ( -1.015 -3.761 0.075) 3.896 14.513 ( -4.214 6.746 10.130) 12.879 15.603 ( -1.009 -0.568 -2.870) 3.095 16.597 ( -1.211 -0.029 6.024) 6.144 16.725 ( -1.025 2.461 17.837) 18.035 17.845 ( 6.348 -2.627 -2.955) 7.478 18.171 ( -5.108 3.501 -1.219) 6.311 18.544 ( 0.339 0.150 -0.091) 0.381 18.587 ( -1.449 0.304 1.820) 2.347 18.891 ( 9.883 -5.138 -11.359) 15.909 19.670 ( 0.064 3.991 -10.282) 11.029 19.915 ( -6.428 -2.111 10.531) 12.517 20.257 ( -15.201 22.325 19.872) 33.532 21.535 ( 0.884 -1.946 -0.337) 2.164 21.919 ( 0.355 4.201 4.012) 5.820 22.173 ( 5.919 -8.975 -5.082) 11.891 22.981 ( -3.266 2.559 -2.988) 5.113 23.452 ( 3.658 2.626 1.089) 4.633 23.787 ( 1.799 -3.264 0.161) 3.730 24.206 ( 10.308 -13.410 -0.475) 16.921 24.434 ( -6.542 0.899 -7.095) 9.693 ======================= Grid point 91 (42/128) ======================= q-point: (-0.29 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -19.565 -0.000 7.536) 20.966 1.117 ( -17.084 -0.000 14.801) 22.604 1.469 ( 22.460 0.000 5.918) 23.226 1.894 ( 3.072 0.000 6.153) 6.877 2.035 ( -31.230 -0.000 -3.555) 31.432 2.369 ( -7.669 -0.000 4.129) 8.709 2.520 ( -6.097 -0.000 -2.737) 6.683 2.604 ( 1.405 0.000 4.181) 4.411 2.985 ( 10.863 0.000 4.576) 11.787 3.118 ( 11.412 0.000 20.881) 23.796 3.341 ( -6.340 -0.000 -0.192) 6.343 3.384 ( -3.733 -0.000 11.642) 12.226 3.556 ( -5.595 -0.000 13.561) 14.670 3.637 ( 0.391 0.000 1.194) 1.256 3.703 ( -8.057 -0.000 28.219) 29.347 3.914 ( -4.025 -0.000 -7.844) 8.816 4.142 ( -4.249 -0.000 -3.369) 5.422 4.218 ( 0.126 0.000 -4.329) 4.331 4.258 ( -0.203 -0.000 -4.466) 4.471 4.654 ( -6.936 -0.000 10.595) 12.664 5.063 ( 1.540 0.000 -1.715) 2.305 5.246 ( 8.543 0.000 -2.579) 8.924 5.323 ( 11.064 0.000 8.176) 13.757 5.497 ( -1.370 -0.000 -3.910) 4.143 5.542 ( -4.364 -0.000 -3.385) 5.523 5.921 ( 6.124 0.000 -7.297) 9.526 5.962 ( -6.509 -0.000 1.889) 6.778 6.330 ( 4.311 0.000 0.290) 4.321 6.486 ( -12.325 -0.000 -0.313) 12.329 6.956 ( -0.410 -0.000 -4.927) 4.944 7.269 ( 4.885 0.000 -1.962) 5.264 7.316 ( -1.896 -0.000 14.635) 14.758 7.371 ( 2.035 0.000 -9.016) 9.243 7.419 ( 17.282 0.000 4.049) 17.750 7.911 ( -0.010 -0.000 -1.294) 1.294 8.008 ( -2.692 -0.000 -3.963) 4.791 8.245 ( 1.563 0.000 1.087) 1.904 8.298 ( -4.001 -0.000 1.878) 4.420 8.415 ( 0.349 0.000 -2.547) 2.571 8.717 ( -1.795 -0.000 -0.631) 1.902 8.997 ( -2.175 -0.000 6.589) 6.939 9.259 ( 4.352 0.000 -1.706) 4.674 10.203 ( 3.457 0.000 -9.755) 10.350 10.778 ( 1.304 0.000 -4.888) 5.059 12.479 ( -4.471 -0.000 -22.682) 23.118 12.794 ( -3.715 -0.000 -4.812) 6.080 13.051 ( 2.199 0.000 -1.760) 2.816 13.260 ( 1.584 0.000 4.180) 4.470 13.337 ( 0.368 0.000 -0.370) 0.522 13.512 ( 7.873 0.000 -4.195) 8.921 13.702 ( 0.069 0.000 5.084) 5.085 14.063 ( -2.130 -0.000 -1.223) 2.456 14.633 ( -3.233 -0.000 9.331) 9.875 15.585 ( -3.252 -0.000 -1.257) 3.486 16.597 ( -1.167 -0.000 5.733) 5.851 16.777 ( 3.239 0.000 21.280) 21.526 17.800 ( 2.733 0.000 -3.864) 4.733 18.246 ( -0.790 -0.000 -2.042) 2.190 18.548 ( 0.406 0.000 0.061) 0.411 18.592 ( -0.592 -0.000 2.009) 2.094 18.786 ( 6.909 0.000 -9.938) 12.103 19.715 ( 1.047 0.000 -8.458) 8.523 19.879 ( -6.512 -0.000 10.639) 12.474 21.065 ( 2.137 0.000 12.943) 13.118 21.449 ( 1.580 0.000 -0.707) 1.731 21.786 ( -3.240 -0.000 -1.404) 3.531 22.019 ( 0.839 0.000 3.490) 3.589 23.051 ( 0.431 0.000 -1.593) 1.651 23.580 ( 0.654 0.000 -1.065) 1.250 23.716 ( 5.581 0.000 -0.627) 5.616 23.771 ( -1.186 -0.000 2.183) 2.484 24.439 ( -6.049 -0.000 -6.443) 8.837 ======================= Grid point 92 (43/128) ======================= q-point: (-0.14 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -10.889 -26.379 6.199) 29.204 1.024 ( -20.635 -10.155 13.795) 26.819 1.572 ( -13.692 0.135 9.187) 16.489 1.862 ( 7.823 -3.663 6.774) 10.977 2.006 ( 2.376 -8.697 4.145) 9.923 2.376 ( -1.818 -2.343 5.379) 6.142 2.436 ( -5.434 1.180 -0.485) 5.582 2.663 ( 0.568 -2.772 1.439) 3.174 3.108 ( 4.116 1.815 4.666) 6.482 3.206 ( 2.929 0.116 4.924) 5.731 3.293 ( -6.698 7.545 -2.790) 10.467 3.339 ( 2.437 -2.665 10.555) 11.156 3.510 ( -3.044 1.400 22.086) 22.339 3.648 ( 0.929 -0.087 16.206) 16.233 3.736 ( -1.553 0.218 8.200) 8.349 3.897 ( -6.309 -1.344 6.988) 9.510 4.065 ( -0.747 4.418 -2.926) 5.351 4.200 ( 0.231 -6.507 -6.068) 8.900 4.303 ( -3.191 -4.254 -3.706) 6.482 4.592 ( -5.571 2.392 9.789) 11.514 4.955 ( -1.161 17.966 2.521) 18.179 5.151 ( 0.320 6.635 -6.928) 9.598 5.326 ( 5.987 9.793 2.678) 11.787 5.516 ( 6.422 -3.181 3.109) 7.812 5.672 ( -3.325 -7.049 -7.453) 10.784 5.832 ( -4.972 1.678 -7.589) 9.226 5.990 ( -10.839 -10.776 -0.163) 15.285 6.402 ( 1.688 -3.301 4.553) 5.872 6.424 ( -1.252 -2.963 -1.509) 3.553 6.925 ( 1.187 5.031 -0.798) 5.231 7.224 ( 1.594 10.616 7.685) 13.202 7.315 ( 7.260 5.274 -3.673) 9.696 7.353 ( -0.776 0.774 -5.287) 5.399 7.567 ( 13.356 3.360 3.067) 14.110 7.849 ( -3.718 4.585 -1.167) 6.017 8.030 ( 0.967 -4.476 -1.939) 4.973 8.145 ( -2.815 0.919 -1.273) 3.223 8.420 ( 0.543 -3.707 5.445) 6.609 8.510 ( 1.034 -12.431 -6.899) 14.255 8.693 ( -0.454 -0.752 0.108) 0.885 8.976 ( -1.971 1.734 6.458) 6.971 9.321 ( 2.215 -3.301 -3.355) 5.202 10.243 ( 5.363 -2.696 -8.458) 10.371 10.768 ( 1.059 1.025 -5.629) 5.819 12.358 ( -5.445 -0.096 -15.016) 15.973 12.767 ( -1.857 -1.628 -6.227) 6.699 13.046 ( 1.031 2.180 -1.456) 2.817 13.270 ( -1.184 -0.605 2.161) 2.538 13.325 ( 1.437 1.887 -1.364) 2.736 13.620 ( 4.580 -0.300 -2.985) 5.475 13.755 ( 5.626 -5.770 2.142) 8.338 14.072 ( -0.834 -3.982 -0.812) 4.148 14.579 ( -5.465 4.653 9.500) 11.907 15.564 ( -1.695 -1.910 -2.029) 3.262 16.599 ( -1.386 -0.020 5.716) 5.882 16.860 ( 5.432 5.230 26.594) 27.642 17.849 ( 4.733 -3.294 -3.295) 6.641 18.196 ( -1.583 4.172 -1.371) 4.668 18.548 ( -0.023 0.126 -0.060) 0.141 18.585 ( -0.849 0.617 1.824) 2.104 18.865 ( 6.589 -4.723 -14.554) 16.660 19.651 ( -7.426 1.873 -14.911) 16.763 19.849 ( -5.417 -0.794 10.743) 12.057 20.631 ( -12.118 40.440 24.110) 48.616 21.510 ( 0.230 -1.842 0.139) 1.861 21.995 ( 2.870 -0.597 3.394) 4.484 22.045 ( 7.060 -15.285 -3.666) 17.231 22.983 ( -4.336 4.992 -3.433) 7.450 23.549 ( 3.293 3.782 -0.107) 5.016 23.770 ( 4.648 -3.163 1.201) 5.749 24.032 ( 8.566 -22.698 -2.821) 24.424 24.354 ( -6.690 0.280 -6.060) 9.031 ======================= Grid point 99 (44/128) ======================= q-point: (-0.14 -0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -14.154 -0.000 18.925) 23.633 0.740 ( -24.834 -0.000 14.467) 28.741 1.265 ( -32.599 -0.000 32.577) 46.087 1.950 ( -0.163 -0.000 5.205) 5.208 2.108 ( 25.221 0.000 1.014) 25.242 2.395 ( -4.811 -0.000 0.474) 4.834 2.406 ( 4.149 0.000 6.314) 7.555 2.658 ( 0.943 0.000 1.025) 1.393 3.219 ( 9.322 0.000 -0.083) 9.323 3.255 ( -1.595 -0.000 -1.759) 2.374 3.258 ( -6.132 -0.000 8.942) 10.842 3.297 ( -7.960 -0.000 2.827) 8.447 3.580 ( -5.414 -0.000 -1.524) 5.625 3.645 ( 7.095 0.000 26.071) 27.020 3.872 ( 7.528 0.000 41.059) 41.744 3.890 ( 3.927 0.000 -0.732) 3.994 4.002 ( -6.701 -0.000 -2.329) 7.094 4.190 ( -0.851 -0.000 -4.120) 4.207 4.197 ( -1.928 -0.000 -7.316) 7.565 4.575 ( -5.864 -0.000 11.307) 12.737 5.113 ( 4.707 0.000 -2.389) 5.279 5.245 ( -1.245 -0.000 -12.563) 12.624 5.443 ( -0.626 -0.000 -5.510) 5.546 5.521 ( 3.754 0.000 3.097) 4.867 5.550 ( 2.372 0.000 2.397) 3.373 5.729 ( -20.078 -0.000 -20.256) 28.521 5.769 ( -12.212 -0.000 3.871) 12.811 6.398 ( 2.304 0.000 -0.132) 2.307 6.401 ( 2.320 0.000 7.032) 7.405 6.985 ( 4.070 0.000 -2.212) 4.632 7.338 ( 2.168 0.000 -2.975) 3.681 7.414 ( 7.578 0.000 -7.841) 10.904 7.450 ( 8.004 0.000 12.725) 15.033 7.733 ( 8.703 0.000 8.424) 12.112 7.887 ( -5.881 -0.000 -4.261) 7.262 7.967 ( 6.149 0.000 3.344) 7.000 8.168 ( -8.469 -0.000 -4.296) 9.496 8.309 ( 2.452 0.000 -5.075) 5.636 8.390 ( -0.649 -0.000 2.730) 2.806 8.676 ( -0.969 -0.000 -0.471) 1.077 8.976 ( -4.245 -0.000 5.348) 6.828 9.305 ( 1.599 0.000 -4.913) 5.167 10.240 ( 4.102 0.000 -6.739) 7.889 10.770 ( 0.902 0.000 -6.336) 6.400 12.260 ( -3.990 -0.000 -7.842) 8.798 12.703 ( -1.873 -0.000 -5.062) 5.397 13.079 ( 1.378 0.000 -2.364) 2.736 13.240 ( -2.881 -0.000 -0.281) 2.895 13.366 ( 1.647 0.000 2.494) 2.989 13.708 ( 10.955 0.000 -5.905) 12.445 13.717 ( -1.079 -0.000 4.105) 4.245 14.018 ( -1.202 -0.000 -1.311) 1.779 14.579 ( -6.655 -0.000 8.250) 10.599 15.513 ( -2.532 -0.000 -1.308) 2.850 16.599 ( -1.551 -0.000 5.509) 5.723 17.153 ( 22.642 0.000 37.184) 43.535 17.843 ( 3.150 0.000 -3.809) 4.942 18.222 ( -0.517 -0.000 -1.350) 1.445 18.547 ( -0.426 -0.000 0.516) 0.669 18.592 ( -0.434 -0.000 1.195) 1.272 18.812 ( -1.002 -0.000 -21.452) 21.476 19.477 ( -19.953 -0.000 -16.542) 25.918 19.843 ( -0.762 -0.000 9.354) 9.385 21.328 ( 15.425 0.000 23.138) 27.808 21.475 ( 1.070 0.000 -0.609) 1.232 21.721 ( -1.959 -0.000 -1.368) 2.389 22.047 ( 0.094 0.000 3.287) 3.288 22.995 ( -5.791 -0.000 -9.662) 11.265 23.595 ( 1.294 0.000 -0.815) 1.529 23.751 ( -1.782 -0.000 1.932) 2.629 23.840 ( 6.031 0.000 -0.359) 6.042 24.275 ( -5.675 -0.000 -5.114) 7.639 ======================= Grid point 100 (45/128) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.613 0.000 26.065) 26.072 1.094 ( 3.076 0.000 26.170) 26.350 2.053 ( -2.828 -0.000 3.608) 4.584 2.203 ( 2.723 0.000 42.644) 42.730 2.415 ( -0.902 -0.000 4.263) 4.357 2.450 ( 5.550 0.000 4.900) 7.404 2.645 ( 0.753 0.000 2.093) 2.224 2.967 ( -3.551 -0.000 -2.508) 4.348 3.071 ( -7.381 -0.000 -6.161) 9.614 3.096 ( -2.945 -0.000 19.598) 19.818 3.164 ( 3.316 0.000 -8.282) 8.922 3.439 ( -15.101 -0.000 1.662) 15.192 3.475 ( -0.296 -0.000 -1.943) 1.966 3.558 ( -8.605 -0.000 8.908) 12.386 3.947 ( -0.260 -0.000 -7.839) 7.844 4.082 ( 0.038 0.000 2.369) 2.370 4.102 ( 5.102 0.000 0.139) 5.104 4.304 ( 5.798 0.000 17.518) 18.452 4.798 ( -8.930 -0.000 16.536) 18.794 4.810 ( -1.217 -0.000 -12.895) 12.952 4.870 ( 8.630 0.000 3.364) 9.262 5.201 ( -13.703 -0.000 16.003) 21.068 5.205 ( 10.912 0.000 -8.570) 13.875 5.428 ( 3.483 0.000 0.339) 3.500 5.524 ( -5.683 -0.000 -2.225) 6.104 5.714 ( 0.570 0.000 3.854) 3.896 5.735 ( -2.056 -0.000 16.950) 17.074 6.418 ( 0.322 0.000 -0.336) 0.465 6.619 ( -7.339 -0.000 4.724) 8.728 7.055 ( 5.661 0.000 -6.311) 8.479 7.214 ( -2.249 -0.000 -7.810) 8.128 7.332 ( 8.600 0.000 -12.806) 15.425 7.382 ( -2.645 -0.000 -6.000) 6.557 7.646 ( 0.101 0.000 -5.572) 5.573 7.850 ( -8.741 -0.000 3.531) 9.428 7.979 ( -4.180 -0.000 2.537) 4.889 8.150 ( -2.022 -0.000 -2.668) 3.348 8.288 ( 10.188 0.000 2.945) 10.605 8.467 ( 1.402 0.000 -1.854) 2.324 8.759 ( -2.225 -0.000 5.705) 6.124 9.056 ( -0.073 -0.000 -13.325) 13.325 9.099 ( -1.382 -0.000 12.362) 12.439 10.177 ( 5.443 0.000 -7.103) 8.949 10.508 ( 0.596 0.000 -15.505) 15.517 12.572 ( 2.909 0.000 -5.093) 5.865 12.701 ( 14.181 0.000 -2.950) 14.484 13.049 ( 0.944 0.000 -0.955) 1.343 13.214 ( 5.639 0.000 -1.087) 5.743 13.534 ( 2.890 0.000 5.243) 5.987 13.681 ( 3.607 0.000 -5.981) 6.985 13.754 ( -4.263 -0.000 2.864) 5.135 13.986 ( 0.118 0.000 -0.492) 0.506 14.604 ( -7.538 -0.000 8.166) 11.114 15.424 ( 0.585 0.000 -4.111) 4.153 16.745 ( -2.543 -0.000 9.535) 9.868 17.680 ( -26.626 -0.000 5.408) 27.170 17.779 ( 2.413 0.000 -6.299) 6.745 18.191 ( 2.248 0.000 -2.057) 3.047 18.521 ( 14.305 0.000 -1.941) 14.436 18.561 ( -0.221 -0.000 -0.458) 0.508 18.596 ( -2.205 -0.000 2.723) 3.504 19.106 ( 3.853 0.000 -4.361) 5.820 20.182 ( 0.965 0.000 16.421) 16.450 21.434 ( -0.558 -0.000 -3.716) 3.758 21.646 ( -9.292 -0.000 0.336) 9.298 21.679 ( 1.490 0.000 -0.783) 1.684 22.150 ( -1.582 -0.000 5.805) 6.017 22.672 ( 0.558 0.000 -1.651) 1.743 23.621 ( 2.347 0.000 -0.369) 2.376 23.756 ( -2.866 -0.000 2.536) 3.826 23.826 ( -4.934 -0.000 -3.976) 6.337 24.157 ( 6.692 0.000 -3.759) 7.675 ======================= Grid point 101 (46/128) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 8.843 -1.006 22.588) 24.278 1.355 ( 2.329 -22.026 19.660) 29.616 2.028 ( -5.440 0.044 1.650) 5.685 2.345 ( -0.489 5.972 9.955) 11.619 2.417 ( 6.542 -4.411 22.825) 24.150 2.521 ( -1.941 -1.765 8.206) 8.615 2.603 ( -4.305 2.156 1.803) 5.141 2.834 ( -10.665 4.398 -6.861) 13.422 2.931 ( -2.225 9.189 4.386) 10.423 3.098 ( -1.481 -3.301 3.023) 4.714 3.261 ( -0.846 -4.048 7.845) 8.868 3.313 ( -5.272 -7.924 1.517) 9.638 3.546 ( -0.949 -6.055 -0.585) 6.157 3.596 ( -1.102 -4.325 12.502) 13.275 3.797 ( -1.175 9.587 -2.976) 10.107 4.073 ( 2.029 4.364 -2.845) 5.590 4.244 ( 1.451 -7.576 3.979) 8.680 4.437 ( 2.402 -5.527 16.898) 17.941 4.585 ( 1.225 13.669 -4.122) 14.329 4.706 ( -9.128 4.687 13.281) 16.783 5.014 ( -7.764 2.755 20.949) 22.510 5.163 ( -2.068 -4.257 -5.402) 7.182 5.250 ( 8.499 0.818 -2.640) 8.938 5.469 ( -6.531 -3.310 -1.357) 7.446 5.541 ( 11.765 -5.886 -5.534) 14.272 5.714 ( 0.609 4.910 14.725) 15.534 5.856 ( 3.780 -8.475 4.235) 10.201 6.400 ( -2.150 1.386 -0.460) 2.599 6.518 ( -12.034 -0.126 -0.936) 12.071 7.056 ( 2.291 5.580 -3.050) 6.759 7.116 ( -3.905 4.122 -10.942) 12.327 7.236 ( -1.509 5.870 -5.952) 8.494 7.423 ( 8.076 0.459 -9.389) 12.393 7.551 ( -1.226 8.650 -1.021) 8.796 7.845 ( -4.884 -5.856 1.445) 7.761 7.893 ( 0.425 6.505 0.967) 6.590 8.184 ( -1.902 -5.621 -0.675) 5.973 8.323 ( 3.498 0.927 3.210) 4.837 8.547 ( 4.291 -3.015 -4.354) 6.816 8.832 ( -4.596 -9.494 3.976) 11.272 9.035 ( -0.582 -2.077 -8.729) 8.992 9.116 ( 0.357 0.953 8.807) 8.865 10.198 ( 3.021 0.820 -7.091) 7.751 10.478 ( 2.074 -0.316 -15.931) 16.068 12.593 ( 3.833 0.491 -4.449) 5.893 12.757 ( 6.834 4.398 -6.290) 10.277 13.033 ( 2.492 3.065 0.042) 3.951 13.238 ( 1.191 2.948 -4.442) 5.463 13.532 ( 1.003 5.388 4.606) 7.160 13.617 ( -1.604 2.960 -0.627) 3.425 13.797 ( 0.755 -5.367 -0.254) 5.426 14.089 ( 0.706 -9.586 -1.283) 9.698 14.547 ( -4.737 1.729 9.520) 10.773 15.435 ( 2.200 -0.882 -5.183) 5.699 16.748 ( -2.200 -0.220 9.813) 10.059 17.341 ( -24.552 7.200 14.371) 29.346 17.782 ( 2.712 0.361 -6.186) 6.764 18.206 ( -1.031 0.488 -1.608) 1.972 18.544 ( -1.274 0.400 -1.066) 1.709 18.588 ( -0.666 -0.382 2.429) 2.548 18.666 ( 10.142 -2.342 -6.771) 12.417 19.184 ( 8.592 -1.933 -5.345) 10.302 20.239 ( 0.057 -0.367 16.922) 16.926 21.077 ( -7.032 31.693 16.863) 36.582 21.425 ( -0.306 -0.999 -4.363) 4.486 21.977 ( -3.948 -12.949 -7.518) 15.485 22.136 ( -1.520 0.603 3.589) 3.944 22.720 ( 5.180 -1.965 -2.482) 6.070 23.649 ( 0.520 2.848 1.144) 3.113 23.741 ( -5.687 -3.968 -3.744) 7.881 23.875 ( -2.945 -13.863 -3.761) 14.663 24.232 ( 8.116 -0.577 -3.655) 8.920 ======================= Grid point 102 (47/128) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 11.980 1.990 17.601) 21.384 1.712 ( -6.000 -13.555 8.097) 16.891 1.952 ( -6.154 -2.978 1.457) 6.990 2.224 ( -3.687 7.262 2.236) 8.446 2.453 ( -4.486 7.413 5.625) 10.330 2.484 ( -11.096 0.816 -0.351) 11.131 2.554 ( -0.945 1.120 3.519) 3.812 2.771 ( 0.413 -4.325 8.104) 9.195 2.894 ( 9.868 -0.748 7.355) 12.330 3.211 ( 1.064 -8.405 11.828) 14.549 3.357 ( -1.997 -7.159 2.864) 7.965 3.435 ( -4.698 -9.413 6.812) 12.533 3.589 ( 4.304 3.195 4.948) 7.295 3.685 ( -1.825 -2.592 10.002) 10.492 3.727 ( -0.705 -5.998 -1.629) 6.255 3.950 ( 2.360 12.158 -3.615) 12.902 4.356 ( -3.935 2.146 13.746) 14.459 4.419 ( 1.824 0.254 3.903) 4.316 4.565 ( -6.890 3.693 9.532) 12.327 4.636 ( 3.341 -5.281 11.106) 12.743 4.889 ( -10.380 4.807 14.611) 18.556 5.096 ( -1.044 7.501 2.027) 7.840 5.261 ( -4.429 3.767 4.986) 7.659 5.521 ( -8.129 -8.714 4.395) 12.702 5.700 ( 11.383 4.608 5.159) 13.320 5.790 ( 14.052 -7.519 -7.258) 17.512 6.043 ( 3.323 -10.555 -0.348) 11.071 6.317 ( -10.326 -0.519 -4.292) 11.194 6.419 ( -6.711 -1.756 -0.691) 6.971 6.874 ( 0.055 14.567 1.119) 14.610 7.034 ( -0.832 1.386 -9.962) 10.092 7.152 ( -2.012 2.261 -9.873) 10.327 7.373 ( 2.268 11.339 -3.093) 11.970 7.466 ( 2.949 1.980 -2.274) 4.218 7.797 ( -2.264 2.323 2.046) 3.835 7.918 ( 3.755 -2.111 -4.842) 6.481 8.252 ( -0.482 -4.854 1.126) 5.006 8.390 ( -0.348 -5.563 2.163) 5.979 8.586 ( 2.979 1.395 -4.593) 5.649 8.898 ( -4.044 -4.612 0.605) 6.164 9.048 ( -0.798 0.616 6.535) 6.613 9.148 ( 0.173 -4.689 -3.713) 5.983 10.179 ( 1.872 1.847 -8.146) 8.560 10.478 ( 3.206 -1.310 -14.499) 14.907 12.592 ( 2.491 3.158 -4.816) 6.275 12.720 ( 4.257 4.749 -4.239) 7.658 13.024 ( 4.042 2.828 1.511) 5.159 13.149 ( -3.773 2.995 -7.942) 9.289 13.429 ( -4.031 4.278 2.414) 6.354 13.608 ( 0.431 0.103 -0.566) 0.719 13.891 ( 2.447 -4.029 1.664) 4.999 14.208 ( -0.590 -5.456 -0.599) 5.520 14.519 ( -2.692 0.196 10.913) 11.242 15.460 ( 3.013 -0.795 -6.363) 7.085 16.759 ( -1.830 -0.295 10.179) 10.346 17.095 ( -15.360 3.217 17.817) 23.743 17.796 ( 3.789 0.025 -5.919) 7.028 18.156 ( -2.723 2.209 -0.663) 3.569 18.526 ( -0.912 -0.107 -1.121) 1.449 18.596 ( -1.045 -0.925 2.172) 2.581 18.757 ( 5.871 -1.263 -8.648) 10.528 19.284 ( 7.389 -1.991 -6.830) 10.257 20.273 ( -3.241 0.344 17.394) 17.697 20.698 ( -3.828 18.027 21.219) 28.105 21.437 ( 0.502 -2.197 -4.778) 5.283 22.005 ( -2.944 0.186 0.721) 3.036 22.130 ( -0.997 -1.221 -4.755) 5.010 22.797 ( 5.190 -1.692 -3.977) 6.754 23.564 ( -4.287 3.719 1.296) 5.822 23.770 ( -0.042 -3.272 -1.316) 3.527 24.041 ( -4.627 -13.379 -7.456) 15.999 24.313 ( 8.014 -0.023 -4.027) 8.969 ======================= Grid point 103 (48/128) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 2.542 2.620 7.684) 8.507 1.600 ( -6.012 5.321 0.924) 8.082 1.986 ( -1.219 1.880 -3.653) 4.285 2.215 ( -3.064 2.174 11.625) 12.217 2.247 ( -3.898 1.152 10.476) 11.237 2.376 ( -4.418 1.845 1.377) 4.982 2.613 ( 3.205 -3.167 5.927) 7.445 2.853 ( -4.025 -7.214 -0.985) 8.319 3.061 ( 5.589 -3.393 6.378) 9.134 3.361 ( -3.931 -6.762 7.443) 10.797 3.419 ( 1.724 0.097 -1.502) 2.289 3.475 ( -3.800 -1.441 6.425) 7.602 3.627 ( 0.667 1.661 -6.015) 6.276 3.727 ( 0.979 -7.371 9.225) 11.848 3.793 ( 3.060 11.238 12.527) 17.105 3.886 ( 2.218 -6.478 7.852) 10.418 4.177 ( -8.178 11.386 17.515) 22.434 4.457 ( -4.986 1.744 5.635) 7.724 4.572 ( 5.322 -2.873 3.878) 7.185 4.729 ( -3.798 -3.422 8.320) 9.765 4.831 ( -3.297 -6.417 0.474) 7.230 4.954 ( -4.794 9.316 19.999) 22.577 5.136 ( -5.617 7.274 10.869) 14.234 5.564 ( -7.765 -6.708 11.468) 15.389 5.753 ( 3.710 2.200 -0.532) 4.346 5.964 ( 9.817 -0.241 -11.993) 15.500 6.182 ( -6.009 -1.541 -3.185) 6.973 6.305 ( 2.339 -13.099 -5.334) 14.336 6.435 ( -1.725 -6.563 1.128) 6.879 6.714 ( 4.155 6.825 -0.687) 8.020 6.990 ( -7.164 6.065 -5.865) 11.068 7.002 ( 3.729 5.520 -6.632) 9.400 7.262 ( 1.294 3.467 -5.348) 6.504 7.456 ( 3.447 2.827 -0.115) 4.460 7.762 ( -3.844 -0.678 -1.514) 4.187 7.973 ( 6.363 -0.631 -6.416) 9.058 8.313 ( -0.229 -2.731 -0.848) 2.868 8.469 ( -1.223 -4.455 2.647) 5.324 8.545 ( -0.227 3.652 -3.421) 5.009 8.925 ( -2.512 -2.875 2.724) 4.690 9.034 ( 2.324 3.932 8.784) 9.901 9.214 ( -1.357 -5.662 -8.064) 9.946 10.148 ( 3.097 2.266 -8.913) 9.704 10.499 ( 2.724 -2.152 -12.990) 13.446 12.519 ( 1.263 6.761 -3.366) 7.658 12.693 ( 2.281 2.316 -3.928) 5.098 13.002 ( -2.293 2.535 -2.513) 4.243 13.099 ( 2.488 -1.657 -4.929) 5.765 13.354 ( -2.758 1.571 0.431) 3.203 13.596 ( -1.168 0.498 -0.602) 1.405 13.964 ( 3.413 -0.392 2.298) 4.133 14.238 ( -0.980 0.026 1.035) 1.425 14.545 ( -3.268 -3.466 10.977) 11.966 15.485 ( 3.151 -0.576 -6.847) 7.559 16.769 ( -2.101 0.121 10.271) 10.484 17.016 ( -7.800 -1.956 18.552) 20.220 17.825 ( 3.897 -0.365 -5.651) 6.874 18.100 ( -1.177 1.611 -0.154) 2.001 18.521 ( -0.362 -0.447 -1.213) 1.342 18.603 ( -1.651 -1.000 1.787) 2.630 18.780 ( 2.575 0.839 -8.673) 9.087 19.353 ( 4.160 -1.560 -8.052) 9.196 20.248 ( -6.950 1.950 17.491) 18.922 20.539 ( -2.157 7.206 21.100) 22.400 21.472 ( 0.916 -2.704 -4.639) 5.447 21.973 ( -1.974 0.672 4.725) 5.164 22.122 ( 1.132 -0.145 -8.055) 8.135 22.846 ( 3.084 -0.420 -5.332) 6.174 23.489 ( -2.812 1.368 2.593) 4.062 23.817 ( 2.142 -1.476 -0.195) 2.609 24.133 ( -5.246 -8.450 -7.459) 12.432 24.368 ( 7.423 2.189 -5.036) 9.233 ======================= Grid point 104 (49/128) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -19.154 3.299 3.960) 19.836 1.703 ( 19.840 5.610 6.826) 21.718 1.904 ( 2.376 11.481 6.531) 13.420 2.061 ( -3.562 0.631 5.331) 6.443 2.319 ( 0.797 2.654 6.535) 7.098 2.437 ( -1.698 -11.638 3.301) 12.215 2.693 ( 0.803 -0.857 11.079) 11.142 2.887 ( -6.450 -3.839 -5.796) 9.484 3.088 ( -8.984 2.980 15.822) 18.437 3.327 ( -5.377 7.717 9.620) 13.454 3.365 ( -0.924 1.203 -9.843) 9.959 3.456 ( -2.638 6.273 -0.924) 6.867 3.580 ( 0.633 8.102 11.324) 13.938 3.696 ( 6.526 -6.384 -3.007) 9.611 3.853 ( -1.566 -1.865 5.081) 5.635 4.000 ( -2.216 0.338 11.480) 11.697 4.129 ( 2.732 -5.883 13.526) 15.001 4.408 ( -0.937 2.001 4.119) 4.674 4.566 ( -3.196 6.676 6.997) 10.185 4.726 ( -5.087 0.591 2.780) 5.827 4.934 ( -5.363 -3.692 20.788) 21.784 4.965 ( -0.670 -7.316 9.895) 12.324 5.036 ( -0.800 -2.216 10.347) 10.612 5.605 ( -4.878 -1.516 8.433) 9.860 5.700 ( -6.071 0.752 -4.546) 7.622 5.891 ( -0.510 10.435 -10.253) 14.638 6.160 ( 1.133 -0.277 1.659) 2.028 6.443 ( 3.136 -1.047 -0.885) 3.423 6.637 ( 1.401 -17.580 -2.291) 17.784 6.734 ( -5.434 9.100 -5.599) 11.987 6.796 ( 5.845 -6.569 1.903) 8.997 7.023 ( 6.826 -0.159 -5.025) 8.477 7.237 ( 0.524 -0.619 -6.056) 6.110 7.470 ( 3.820 -0.775 -2.022) 4.392 7.713 ( -5.880 -0.898 -4.232) 7.300 8.033 ( 6.494 0.092 -5.029) 8.215 8.296 ( 0.188 4.470 -2.997) 5.385 8.475 ( -4.940 -0.533 -0.026) 4.969 8.519 ( 1.042 -0.062 1.299) 1.667 8.927 ( -0.684 1.979 6.435) 6.767 9.054 ( 3.901 0.574 5.644) 6.885 9.231 ( -2.216 -2.100 -9.288) 9.777 10.129 ( 4.942 2.452 -9.746) 11.199 10.525 ( 1.864 -2.573 -12.274) 12.679 12.421 ( 1.794 6.773 -0.098) 7.007 12.663 ( -0.119 1.340 -6.321) 6.462 12.945 ( -2.442 -0.502 -3.810) 4.553 13.176 ( 4.331 -3.809 -2.319) 6.217 13.318 ( -0.950 0.949 -0.133) 1.349 13.577 ( -0.877 0.018 -0.663) 1.099 13.975 ( 2.932 4.238 2.099) 5.564 14.210 ( -0.144 2.819 1.168) 3.055 14.600 ( -5.162 -5.216 10.353) 12.690 15.501 ( 2.210 0.007 -7.007) 7.348 16.766 ( -2.773 0.458 10.008) 10.395 17.089 ( -1.854 -7.231 19.584) 20.958 17.846 ( 0.963 -0.630 -5.338) 5.461 18.098 ( 4.745 0.694 -0.047) 4.796 18.524 ( -0.331 -0.794 -1.303) 1.561 18.600 ( -2.080 -0.671 0.937) 2.378 18.742 ( -0.644 2.430 -7.785) 8.181 19.363 ( -0.125 0.373 -9.086) 9.094 20.182 ( -7.015 2.714 17.088) 18.670 20.535 ( -3.761 -3.100 22.126) 22.657 21.499 ( 0.084 -1.310 -3.931) 4.144 21.986 ( -0.944 -2.440 6.421) 6.933 22.120 ( 4.098 0.682 -9.788) 10.634 22.841 ( -0.260 0.853 -5.638) 5.708 23.486 ( 0.343 -1.587 2.790) 3.228 23.854 ( 3.572 0.543 0.075) 3.613 24.157 ( -4.754 -4.439 -6.733) 9.361 24.359 ( 6.309 6.844 -7.189) 11.761 ======================= Grid point 105 (50/128) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -11.807 3.398 16.802) 20.815 1.592 ( 1.766 22.976 12.684) 26.304 1.973 ( 15.279 -0.616 9.776) 18.149 2.094 ( 0.527 -2.698 0.820) 2.869 2.324 ( -0.358 -1.416 2.905) 3.252 2.538 ( -2.215 5.740 12.431) 13.870 2.673 ( -9.867 6.859 12.277) 17.180 2.754 ( -0.876 -0.151 15.046) 15.072 3.006 ( -5.350 -2.674 -2.502) 6.483 3.178 ( -4.698 2.013 4.649) 6.909 3.347 ( 5.273 6.762 0.767) 8.610 3.389 ( -3.937 -4.617 -5.353) 8.091 3.583 ( -1.285 -2.792 3.126) 4.384 3.783 ( -7.723 3.701 3.070) 9.098 3.874 ( 3.486 -8.493 -3.622) 9.870 4.030 ( 1.907 0.482 13.910) 14.049 4.220 ( -0.398 1.330 -2.759) 3.088 4.364 ( -0.170 12.137 4.186) 12.839 4.435 ( -0.685 -1.653 12.667) 12.793 4.741 ( -5.520 -5.678 10.906) 13.478 4.948 ( -6.136 -2.330 19.729) 20.792 5.019 ( -0.161 -3.260 7.859) 8.510 5.277 ( 2.547 -13.006 5.289) 14.270 5.527 ( -7.733 2.097 0.529) 8.030 5.567 ( -1.934 9.641 -9.221) 13.481 5.742 ( -3.145 3.296 2.981) 5.444 6.112 ( -3.697 8.448 1.865) 9.408 6.428 ( 0.563 3.008 -2.913) 4.225 6.602 ( -0.556 0.467 5.506) 5.554 6.907 ( -0.579 -8.994 6.136) 10.903 6.990 ( 8.622 -12.175 -10.821) 18.430 7.130 ( 7.541 -5.369 -7.797) 12.103 7.265 ( 0.303 -4.556 -3.286) 5.626 7.568 ( 5.193 -7.283 -4.595) 10.056 7.661 ( -5.074 -2.344 -4.340) 7.076 8.060 ( 0.949 0.843 -1.708) 2.128 8.206 ( 2.743 7.016 -0.602) 7.557 8.406 ( -5.359 3.175 -1.602) 6.431 8.523 ( 1.231 1.169 -0.322) 1.728 8.906 ( 2.598 4.651 7.408) 9.125 9.092 ( 1.060 0.539 3.645) 3.834 9.186 ( -2.803 0.942 -8.931) 9.408 10.124 ( 6.068 2.148 -10.319) 12.162 10.544 ( 1.196 -2.025 -12.594) 12.812 12.380 ( 5.771 3.427 4.446) 8.050 12.619 ( -0.293 1.300 -7.622) 7.737 12.950 ( -0.664 -3.179 -2.736) 4.246 13.245 ( -0.202 -0.629 -2.108) 2.209 13.328 ( 4.087 -2.091 0.968) 4.692 13.585 ( 0.524 -1.754 -0.609) 1.929 13.914 ( 0.770 6.508 1.160) 6.655 14.157 ( 1.655 5.666 0.111) 5.903 14.642 ( -7.159 -4.945 9.318) 12.749 15.488 ( 0.400 1.078 -6.589) 6.689 16.756 ( -2.879 0.380 9.663) 10.090 17.302 ( 2.499 -13.375 18.790) 23.199 17.835 ( -2.135 -0.883 -4.917) 5.433 18.174 ( 11.324 0.969 -0.387) 11.372 18.524 ( -2.436 -0.885 -2.889) 3.881 18.580 ( -1.980 0.703 -1.954) 2.869 18.659 ( -3.585 2.598 -2.527) 5.098 19.283 ( -4.531 3.472 -8.610) 10.330 20.133 ( -3.793 1.900 16.731) 17.261 20.697 ( -5.318 -17.362 23.318) 29.554 21.491 ( -0.957 0.258 -3.176) 3.327 22.050 ( -1.234 -4.276 6.624) 7.981 22.126 ( 7.328 3.286 -10.937) 13.569 22.792 ( -3.163 1.109 -4.973) 5.997 23.544 ( 2.045 -2.951 1.708) 3.976 23.873 ( 3.607 1.785 -0.596) 4.068 24.142 ( -2.915 -1.472 -5.887) 6.732 24.229 ( 3.596 14.652 -9.755) 17.966 ======================= Grid point 106 (51/128) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -3.283 2.885 24.789) 25.171 1.247 ( -2.903 24.358 20.294) 31.837 2.073 ( -0.447 1.586 11.355) 11.474 2.144 ( 2.919 4.447 17.769) 18.548 2.334 ( -0.859 -1.679 8.861) 9.059 2.425 ( 3.239 3.082 13.730) 14.440 2.635 ( 0.783 1.641 1.277) 2.222 2.874 ( 2.570 -6.832 14.308) 16.062 3.016 ( -6.154 -7.659 -5.364) 11.194 3.163 ( 0.224 -0.018 -0.276) 0.356 3.249 ( -3.747 6.884 0.622) 7.862 3.421 ( -2.249 -4.376 -4.212) 6.477 3.598 ( -6.159 4.959 12.835) 15.075 3.689 ( -5.985 -4.668 -5.992) 9.670 3.894 ( -6.445 1.020 -2.707) 7.064 4.071 ( -0.653 -2.935 -1.016) 3.174 4.169 ( 2.502 4.695 6.182) 8.156 4.235 ( 7.848 9.863 8.334) 15.110 4.580 ( 2.889 -11.818 2.235) 12.370 4.794 ( -8.527 -5.280 17.410) 20.092 4.993 ( 0.192 2.830 9.782) 10.185 5.086 ( 6.839 -1.182 -2.730) 7.458 5.315 ( -11.638 -0.681 2.194) 11.863 5.419 ( -0.125 3.908 -3.988) 5.585 5.541 ( -0.385 -5.057 3.922) 6.411 5.688 ( -2.977 1.350 10.365) 10.868 5.878 ( -6.662 12.218 2.391) 14.120 6.410 ( 1.251 0.333 -1.499) 1.980 6.636 ( -1.256 -1.064 8.515) 8.673 6.994 ( 4.885 -1.497 -1.343) 5.283 7.188 ( 2.324 -7.250 -9.330) 12.042 7.248 ( 6.200 -3.757 -11.069) 13.231 7.359 ( 0.124 -7.245 -5.634) 9.178 7.629 ( -4.468 -5.129 -6.282) 9.260 7.803 ( 5.892 -10.734 -0.190) 12.246 8.016 ( -8.204 -0.510 3.317) 8.864 8.169 ( 5.873 3.220 1.146) 6.795 8.267 ( -2.300 7.717 -1.573) 8.205 8.505 ( 1.478 2.887 -2.283) 3.967 8.847 ( 2.080 9.669 5.476) 11.305 9.080 ( -3.083 -0.373 4.046) 5.100 9.117 ( -1.382 1.645 -7.236) 7.548 10.139 ( 6.401 0.852 -8.729) 10.858 10.538 ( 0.555 -0.807 -13.943) 13.977 12.488 ( 12.575 -2.497 5.079) 13.790 12.589 ( 3.162 1.463 -6.011) 6.948 13.002 ( 0.565 -4.185 -1.782) 4.584 13.212 ( 0.404 2.588 -1.470) 3.004 13.438 ( 4.237 -4.622 2.771) 6.855 13.633 ( 1.838 -2.853 -1.400) 3.672 13.819 ( -1.359 5.084 0.379) 5.276 14.067 ( 1.479 8.000 -0.790) 8.174 14.645 ( -8.371 -2.904 8.194) 12.068 15.449 ( -0.570 1.308 -5.085) 5.281 16.748 ( -2.764 0.215 9.475) 9.872 17.615 ( 1.382 -16.780 9.955) 19.560 17.808 ( -4.238 -1.604 -4.187) 6.169 18.252 ( 8.152 5.926 -3.994) 10.841 18.443 ( -2.508 1.656 -2.968) 4.225 18.560 ( 0.385 0.186 -0.230) 0.486 18.613 ( -2.595 0.037 2.782) 3.805 19.152 ( -3.583 3.760 -6.094) 8.007 20.138 ( -0.380 0.758 16.311) 16.333 21.102 ( -3.929 -34.413 17.833) 38.958 21.463 ( -1.437 0.326 -3.016) 3.356 22.042 ( 4.113 12.211 -9.072) 15.759 22.129 ( 0.386 -1.414 4.052) 4.309 22.720 ( -4.518 1.257 -3.781) 6.024 23.606 ( 2.239 -1.097 0.419) 2.529 23.865 ( -0.429 1.995 -2.530) 3.251 23.947 ( -1.042 17.908 -5.370) 18.725 24.126 ( 1.702 0.239 -4.790) 5.089 ======================= Grid point 108 (52/128) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 6.016 0.000 23.925) 24.670 1.419 ( 14.701 0.000 18.553) 23.671 1.979 ( -5.709 -0.000 2.537) 6.248 2.402 ( -15.132 -0.000 5.442) 16.081 2.454 ( -6.270 -0.000 14.162) 15.488 2.469 ( 4.551 0.000 3.420) 5.693 2.591 ( -5.171 -0.000 -3.618) 6.311 2.820 ( 2.464 0.000 19.582) 19.736 2.867 ( -8.519 -0.000 -4.855) 9.805 3.153 ( -5.917 -0.000 21.968) 22.750 3.174 ( 1.169 0.000 -8.314) 8.396 3.261 ( 3.039 0.000 4.371) 5.324 3.477 ( 2.077 0.000 -1.868) 2.793 3.620 ( 2.175 0.000 17.942) 18.073 3.910 ( 0.541 0.000 -4.831) 4.861 4.108 ( 1.139 0.000 0.565) 1.271 4.183 ( 3.761 0.000 -0.903) 3.868 4.463 ( -0.426 -0.000 22.047) 22.052 4.657 ( -12.352 -0.000 10.662) 16.317 4.747 ( 1.147 0.000 -10.053) 10.118 4.969 ( -0.697 -0.000 7.252) 7.285 5.105 ( -4.292 -0.000 10.453) 11.300 5.319 ( -10.836 -0.000 -4.401) 11.696 5.380 ( 10.199 0.000 -4.921) 11.324 5.550 ( 1.461 0.000 7.112) 7.261 5.833 ( 8.885 0.000 7.184) 11.427 5.905 ( 12.580 0.000 0.788) 12.605 6.356 ( -15.774 -0.000 -4.838) 16.499 6.396 ( -2.764 -0.000 1.431) 3.113 7.045 ( -3.231 -0.000 -12.559) 12.968 7.095 ( -1.813 -0.000 -6.410) 6.662 7.283 ( -5.989 -0.000 2.624) 6.539 7.455 ( 7.933 0.000 -8.574) 11.681 7.651 ( 1.771 0.000 -6.530) 6.766 7.746 ( -2.393 -0.000 1.962) 3.094 7.904 ( -4.884 -0.000 5.011) 6.998 8.108 ( 0.120 0.000 -1.252) 1.258 8.479 ( 6.162 0.000 3.863) 7.273 8.483 ( 1.185 0.000 -3.059) 3.281 8.719 ( -3.253 -0.000 4.431) 5.496 8.984 ( -0.128 -0.000 -11.493) 11.494 9.157 ( -0.824 -0.000 12.303) 12.331 10.202 ( 0.378 0.000 -8.339) 8.347 10.464 ( 4.224 0.000 -15.565) 16.128 12.634 ( 4.956 0.000 -3.907) 6.311 12.815 ( 2.869 0.000 -9.201) 9.638 13.061 ( 0.396 0.000 -0.390) 0.556 13.251 ( -3.352 -0.000 -7.828) 8.515 13.601 ( 0.177 0.000 1.986) 1.994 13.668 ( -4.331 -0.000 4.462) 6.218 13.712 ( 0.784 0.000 -1.839) 1.999 14.012 ( 3.039 0.000 -0.285) 3.052 14.555 ( -1.548 -0.000 9.716) 9.838 15.450 ( 3.950 0.000 -4.205) 5.770 16.752 ( -1.829 -0.000 10.072) 10.237 17.168 ( -23.056 -0.000 15.602) 27.839 17.778 ( 1.004 0.000 -6.455) 6.533 18.238 ( 2.562 0.000 -0.438) 2.599 18.527 ( -1.659 -0.000 -1.361) 2.146 18.583 ( -0.945 -0.000 2.411) 2.589 18.688 ( 3.849 0.000 -7.888) 8.777 19.272 ( 11.745 0.000 -7.655) 14.019 20.275 ( -1.880 -0.000 17.779) 17.878 21.368 ( -14.446 -0.000 5.767) 15.554 21.396 ( -0.654 -0.000 -4.588) 4.634 21.723 ( 2.694 0.000 0.132) 2.698 22.142 ( -2.149 -0.000 5.668) 6.062 22.765 ( 7.039 0.000 -3.379) 7.808 23.664 ( 0.986 0.000 -0.674) 1.195 23.682 ( -5.451 -0.000 -3.743) 6.612 23.717 ( -1.315 -0.000 2.920) 3.203 24.301 ( 8.066 0.000 -4.612) 9.291 ======================= Grid point 109 (53/128) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 2.542 -11.094 16.957) 20.423 1.612 ( 13.198 0.143 14.435) 19.559 1.869 ( -9.551 4.244 1.115) 10.510 2.193 ( -15.929 2.036 -1.420) 16.121 2.379 ( -11.620 -0.650 10.581) 15.729 2.523 ( -0.266 1.298 -2.496) 2.826 2.542 ( 3.102 0.682 6.296) 7.051 2.857 ( -6.329 -9.719 0.057) 11.598 2.895 ( 4.507 8.256 14.338) 17.148 3.140 ( 3.578 -3.844 14.249) 15.186 3.253 ( -2.862 -6.076 3.819) 7.726 3.344 ( 5.621 -2.779 5.644) 8.436 3.575 ( 3.248 -7.898 -0.887) 8.585 3.695 ( 0.576 -0.257 15.476) 15.489 3.818 ( 5.118 9.515 2.830) 11.169 4.102 ( 1.571 4.381 -2.966) 5.519 4.291 ( 2.755 -7.576 0.364) 8.069 4.497 ( -5.381 2.701 17.860) 18.848 4.532 ( -10.843 2.267 6.928) 13.065 4.668 ( 5.367 2.737 0.757) 6.072 4.955 ( -7.404 8.922 16.455) 20.129 5.092 ( -3.488 -6.146 -2.977) 7.668 5.274 ( -6.818 -5.674 -1.988) 9.090 5.344 ( -4.682 7.757 11.463) 14.611 5.720 ( 7.108 -12.695 -1.231) 14.601 5.939 ( 13.089 5.308 2.866) 14.413 6.032 ( 9.790 -1.019 -3.388) 10.410 6.176 ( -12.162 -0.393 -6.212) 13.662 6.356 ( -4.444 0.431 2.317) 5.030 6.970 ( -4.125 1.774 -4.742) 6.531 7.050 ( 0.716 1.745 -9.423) 9.610 7.164 ( -3.196 6.456 -1.528) 7.364 7.476 ( -1.583 3.150 -0.808) 3.617 7.576 ( 5.466 7.242 -8.660) 12.543 7.743 ( -4.062 -1.239 0.097) 4.248 7.925 ( 0.452 -4.129 -0.116) 4.156 8.154 ( 0.816 -4.498 -1.064) 4.693 8.400 ( 1.647 3.523 4.408) 5.878 8.614 ( 3.371 -1.681 -2.740) 4.658 8.757 ( -4.281 -7.281 4.330) 9.491 8.983 ( 0.934 -3.761 -9.459) 10.221 9.162 ( -1.627 1.714 11.362) 11.605 10.170 ( -0.997 -0.176 -10.605) 10.653 10.477 ( 5.570 0.171 -13.572) 14.672 12.660 ( 4.423 2.285 -3.638) 6.166 12.786 ( 1.015 2.553 -8.867) 9.283 13.066 ( 0.266 -0.559 -1.587) 1.703 13.147 ( -5.117 3.310 -7.061) 9.327 13.485 ( -5.208 8.916 2.141) 10.545 13.601 ( -0.970 0.580 2.162) 2.439 13.833 ( 0.177 -7.845 0.880) 7.896 14.099 ( 1.317 -6.121 -0.397) 6.274 14.561 ( 0.476 2.202 10.540) 10.778 15.484 ( 4.766 0.161 -4.628) 6.645 16.765 ( -1.639 -0.238 10.349) 10.481 17.002 ( -15.228 0.361 16.603) 22.532 17.780 ( 0.437 -1.375 -6.313) 6.475 18.221 ( 1.852 4.486 0.005) 4.854 18.512 ( -0.553 -0.143 -1.276) 1.399 18.581 ( -1.159 -0.346 1.897) 2.250 18.720 ( 0.652 -3.370 -7.517) 8.264 19.357 ( 9.777 0.836 -8.666) 13.092 20.288 ( -4.723 0.615 18.747) 19.342 21.030 ( -4.705 21.493 12.829) 25.469 21.394 ( -0.180 -1.703 -4.957) 5.245 21.884 ( -1.187 -10.523 -3.823) 11.259 22.119 ( -2.398 1.564 5.032) 5.789 22.834 ( 6.498 -0.688 -4.135) 7.733 23.559 ( -5.575 3.670 -0.516) 6.694 23.731 ( 2.157 -3.353 -0.128) 3.989 23.799 ( -2.450 -10.431 -1.733) 10.854 24.373 ( 7.228 -0.623 -5.507) 9.108 ======================= Grid point 110 (54/128) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -17.881 6.631 2.982) 19.303 1.821 ( 10.238 1.150 6.737) 12.310 1.891 ( 1.956 -11.001 5.247) 12.344 2.050 ( -6.098 -1.802 3.509) 7.263 2.311 ( -9.957 0.205 14.367) 17.482 2.463 ( -0.855 9.582 8.808) 13.043 2.605 ( 5.205 -4.659 1.342) 7.113 2.824 ( -0.501 5.075 0.747) 5.154 2.986 ( -2.847 -11.127 4.766) 12.435 3.272 ( 0.799 -3.667 -0.004) 3.753 3.321 ( -6.548 -5.789 10.652) 13.778 3.471 ( 7.640 -2.171 1.667) 8.115 3.683 ( 1.817 1.735 1.038) 2.719 3.715 ( 1.149 -2.894 5.555) 6.368 3.874 ( 10.395 -2.188 13.428) 17.122 4.024 ( 4.213 6.855 2.138) 8.325 4.322 ( -6.925 7.626 11.980) 15.800 4.419 ( -4.811 3.607 10.410) 12.022 4.513 ( -1.698 -9.504 1.448) 9.762 4.723 ( -4.426 1.268 0.067) 4.604 4.778 ( 0.288 4.365 9.603) 10.553 5.102 ( -3.614 5.923 16.924) 18.291 5.173 ( -7.586 4.908 11.641) 14.736 5.323 ( -10.552 -11.229 6.152) 16.591 5.795 ( -7.567 6.289 -4.739) 10.921 6.023 ( 12.146 -5.941 -9.400) 16.468 6.121 ( -4.450 -3.107 -4.254) 6.896 6.194 ( 13.467 -4.456 -1.065) 14.225 6.346 ( -0.779 -2.975 4.683) 5.603 6.865 ( -0.782 6.583 -1.018) 6.707 7.012 ( -1.583 6.458 -0.260) 6.654 7.050 ( 2.465 0.737 -14.819) 15.040 7.342 ( -3.611 7.414 -0.626) 8.271 7.522 ( 0.917 3.597 -2.360) 4.399 7.704 ( -2.740 0.458 -4.339) 5.152 7.998 ( 3.475 -3.182 -4.784) 6.714 8.231 ( 0.874 -4.667 -2.317) 5.284 8.431 ( 0.757 -2.900 5.431) 6.203 8.601 ( 0.562 4.253 -2.137) 4.793 8.834 ( -3.522 -6.352 4.306) 8.443 9.064 ( 2.374 -6.556 -8.149) 10.725 9.142 ( -1.547 2.223 9.572) 9.947 10.141 ( -0.380 -1.239 -11.447) 11.521 10.493 ( 5.220 0.551 -12.064) 13.156 12.624 ( 2.301 5.670 -2.992) 6.811 12.724 ( -1.024 2.250 -8.540) 8.891 13.015 ( -3.019 3.382 -6.343) 7.797 13.102 ( 2.514 -0.625 -0.278) 2.605 13.348 ( -3.988 2.851 0.828) 4.972 13.581 ( -2.154 0.463 1.401) 2.611 13.941 ( -0.112 -5.971 0.935) 6.044 14.188 ( -0.699 -4.662 0.516) 4.742 14.556 ( 0.305 2.767 11.333) 11.670 15.514 ( 4.761 0.704 -5.743) 7.493 16.775 ( -2.519 0.041 10.263) 10.568 16.943 ( -8.007 -2.583 17.278) 19.218 17.787 ( -1.275 -2.034 -5.871) 6.343 18.179 ( 4.183 3.961 -0.099) 5.762 18.508 ( -0.090 -0.141 -1.359) 1.370 18.579 ( -1.452 -0.551 1.362) 2.066 18.743 ( -1.600 -2.382 -6.604) 7.200 19.402 ( 7.123 1.792 -8.703) 11.388 20.259 ( -6.590 2.042 19.121) 20.328 20.761 ( -0.952 15.604 16.003) 22.371 21.419 ( 0.406 -3.024 -4.836) 5.718 21.961 ( -0.583 -2.543 -1.304) 2.917 22.090 ( -1.919 -0.419 0.163) 1.970 22.883 ( 5.010 0.953 -5.230) 7.305 23.469 ( -4.410 0.979 1.816) 4.868 23.804 ( 2.193 -3.267 0.180) 3.939 23.927 ( -2.704 -10.091 -3.911) 11.156 24.434 ( 5.906 -0.238 -6.593) 8.855 ======================= Grid point 111 (55/128) ======================= q-point: (-0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -13.979 3.364 9.804) 17.403 1.872 ( -4.948 -7.151 -3.812) 9.495 2.038 ( 19.786 5.013 5.903) 21.247 2.182 ( -5.020 -2.321 13.705) 14.778 2.224 ( -1.116 -1.529 8.755) 8.958 2.340 ( -4.905 3.741 7.996) 10.099 2.720 ( -2.995 0.855 6.073) 6.825 2.765 ( 1.658 -4.543 -5.993) 7.700 3.111 ( 0.057 -2.583 11.964) 12.239 3.236 ( -9.209 -0.473 -6.255) 11.143 3.340 ( -2.503 -1.469 2.145) 3.609 3.536 ( 4.335 2.260 -2.215) 5.367 3.693 ( 3.423 0.652 -0.631) 3.541 3.775 ( 0.615 -0.233 4.894) 4.938 3.952 ( -1.326 18.921 16.266) 24.987 4.026 ( 3.762 -1.350 9.832) 10.614 4.170 ( 1.665 -0.376 15.530) 15.624 4.373 ( -5.334 -1.749 2.660) 6.211 4.575 ( -5.552 -3.522 3.097) 7.268 4.690 ( -1.903 1.359 -0.060) 2.340 4.818 ( -0.615 -7.153 8.116) 10.836 5.010 ( -2.439 5.264 24.949) 25.615 5.070 ( -6.229 5.036 14.288) 16.381 5.446 ( -7.691 -12.317 11.342) 18.426 5.616 ( -7.566 2.582 -6.472) 10.286 6.001 ( -1.672 6.869 -8.236) 10.855 6.207 ( 6.492 -2.031 -2.172) 7.140 6.405 ( 4.944 -10.886 -6.261) 13.497 6.462 ( 5.919 -3.992 4.588) 8.486 6.795 ( -4.477 6.040 -4.315) 8.669 6.834 ( 4.578 5.109 -1.506) 7.024 7.083 ( 6.079 -0.387 -6.639) 9.010 7.225 ( -3.082 2.207 -3.479) 5.146 7.472 ( -2.253 0.466 -2.795) 3.620 7.654 ( -1.624 1.264 -5.279) 5.666 8.060 ( 3.028 -1.884 -5.689) 6.714 8.286 ( 0.571 -2.037 -3.316) 3.933 8.500 ( -0.417 -3.338 1.736) 3.786 8.518 ( 1.029 5.909 2.121) 6.362 8.898 ( -2.764 -4.244 6.226) 8.026 9.118 ( -3.306 -1.301 0.738) 3.629 9.157 ( 5.348 -1.121 -3.148) 6.306 10.137 ( 0.856 -1.805 -11.086) 11.265 10.504 ( 4.307 0.305 -11.516) 12.299 12.540 ( 1.449 6.149 -1.173) 6.426 12.656 ( -2.121 1.273 -8.544) 8.895 12.935 ( -0.159 2.978 -2.219) 3.717 13.158 ( 2.916 -2.958 -2.717) 4.964 13.312 ( -0.718 -0.735 -0.248) 1.057 13.556 ( -2.162 0.095 0.937) 2.358 14.007 ( -1.261 -2.708 0.934) 3.130 14.225 ( -0.473 -1.000 1.149) 1.595 14.552 ( -1.580 0.892 11.412) 11.555 15.526 ( 3.693 1.410 -7.353) 8.348 16.768 ( -3.309 0.275 10.058) 10.591 17.003 ( -3.600 -6.390 18.575) 19.971 17.776 ( -3.589 -1.922 -5.214) 6.616 18.207 ( 8.879 1.078 -1.180) 9.021 18.503 ( -0.712 -0.109 -1.877) 2.011 18.574 ( -1.571 -0.484 0.672) 1.776 18.718 ( -3.299 0.251 -4.428) 5.527 19.399 ( 4.241 3.516 -8.655) 10.259 20.208 ( -5.507 2.633 18.562) 19.540 20.605 ( -3.068 8.471 18.340) 20.433 21.458 ( 0.554 -2.617 -4.499) 5.234 21.973 ( -0.693 -0.295 5.261) 5.314 22.100 ( 0.964 -2.889 -7.913) 8.479 22.873 ( 2.288 3.364 -5.775) 7.064 23.456 ( -1.571 -2.371 3.092) 4.201 23.868 ( 1.257 -2.451 -0.697) 2.841 24.023 ( -0.757 -6.562 -3.635) 7.539 24.455 ( 4.014 2.017 -8.454) 9.574 ======================= Grid point 112 (56/128) ======================= q-point: (-0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.347 0.783 21.348) 22.021 1.930 ( -0.142 2.562 2.265) 3.423 2.032 ( -2.352 6.102 12.521) 14.126 2.199 ( 18.972 3.670 3.536) 19.645 2.273 ( -5.989 -0.017 4.172) 7.299 2.402 ( -2.867 -13.564 1.272) 13.922 2.673 ( -7.247 -1.661 4.981) 8.949 2.803 ( -2.018 1.573 3.878) 4.646 3.089 ( -0.887 9.954 11.728) 15.408 3.128 ( -6.453 0.667 -6.698) 9.325 3.345 ( -0.152 0.954 6.959) 7.026 3.501 ( 1.827 4.340 -2.834) 5.496 3.612 ( -0.687 10.331 8.862) 13.629 3.733 ( -1.003 -0.663 -1.764) 2.135 3.818 ( -2.482 -0.402 4.127) 4.833 4.104 ( 0.159 2.065 12.285) 12.459 4.235 ( 1.622 1.387 2.282) 3.124 4.378 ( -5.649 -5.644 6.937) 10.578 4.574 ( 1.297 9.777 9.634) 13.787 4.607 ( -7.713 -6.223 7.891) 12.668 4.954 ( -4.322 3.260 18.425) 19.204 4.972 ( 0.606 -5.707 10.082) 11.601 5.124 ( 0.265 -10.833 10.897) 15.368 5.477 ( -6.038 -0.321 1.636) 6.264 5.593 ( -2.252 -3.601 5.185) 6.702 5.823 ( -0.706 11.105 -6.014) 12.649 6.219 ( 1.277 6.860 -2.366) 7.368 6.483 ( 1.562 4.229 -4.372) 6.280 6.607 ( -1.733 -0.364 0.380) 1.811 6.661 ( -0.769 -13.068 -1.009) 13.129 6.964 ( 7.073 -5.702 1.068) 9.147 7.142 ( 6.879 -1.490 -8.053) 10.695 7.197 ( -1.020 -3.284 -6.067) 6.974 7.466 ( -2.988 -4.969 -5.992) 8.339 7.619 ( 1.693 0.601 -3.351) 3.802 8.066 ( -1.429 1.058 -3.232) 3.689 8.279 ( -0.167 1.761 -1.897) 2.593 8.455 ( 2.837 4.986 0.535) 5.762 8.542 ( 0.563 -0.577 -0.190) 0.828 8.940 ( -1.627 -2.134 8.174) 8.604 9.097 ( -4.880 -1.117 -0.642) 5.048 9.194 ( 5.605 2.615 -5.393) 8.207 10.148 ( 2.121 -1.297 -10.249) 10.546 10.511 ( 3.265 -0.185 -12.241) 12.671 12.496 ( 4.483 2.782 1.955) 5.627 12.602 ( -1.160 0.252 -7.962) 8.050 12.913 ( 0.894 -0.096 -1.204) 1.503 13.215 ( 0.509 -2.511 -3.644) 4.455 13.348 ( 3.623 -1.942 0.398) 4.130 13.548 ( -1.190 -1.355 0.472) 1.864 13.988 ( -2.593 2.812 1.219) 4.014 14.228 ( 1.132 1.164 0.328) 1.656 14.555 ( -4.036 -0.919 10.800) 11.566 15.506 ( 1.840 2.161 -8.463) 8.926 16.757 ( -3.016 0.268 9.835) 10.290 17.152 ( -3.779 -10.914 19.593) 22.744 17.751 ( -3.378 -1.856 -5.171) 6.449 18.308 ( 9.208 -1.172 -3.937) 10.083 18.482 ( -0.363 0.931 -2.445) 2.642 18.565 ( -1.187 -0.205 -0.186) 1.218 18.654 ( -3.210 2.094 0.040) 3.833 19.329 ( 1.392 6.444 -8.006) 10.371 20.179 ( -2.366 1.853 17.656) 17.910 20.557 ( -6.129 -2.265 21.648) 22.613 21.474 ( 0.157 -0.448 -4.205) 4.232 22.000 ( -1.512 -2.502 7.098) 7.676 22.145 ( 3.636 -2.906 -11.609) 12.507 22.810 ( 0.345 4.241 -4.778) 6.398 23.511 ( 0.468 -3.998 2.667) 4.829 23.889 ( -1.569 -0.776 -2.326) 2.911 24.099 ( 3.465 -2.819 -2.723) 5.232 24.390 ( 1.094 7.291 -11.213) 13.419 ======================= Grid point 113 (57/128) ======================= q-point: (-0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.573 1.350 25.133) 25.219 1.691 ( 0.252 25.371 14.172) 29.062 2.057 ( -3.363 -3.011 0.378) 4.530 2.257 ( -4.433 -5.112 5.441) 8.682 2.338 ( 13.314 3.562 7.827) 15.850 2.557 ( -1.728 -0.266 6.794) 7.015 2.589 ( -6.335 -2.487 12.895) 14.581 2.803 ( -1.645 -2.509 8.472) 8.987 2.908 ( -7.419 0.878 -7.410) 10.522 3.114 ( 0.165 -0.327 2.179) 2.210 3.319 ( -1.415 4.739 11.473) 12.494 3.467 ( 4.737 7.204 2.535) 8.987 3.557 ( -2.403 -2.594 -5.331) 6.397 3.665 ( -4.032 5.246 9.053) 11.214 3.854 ( -4.476 -0.211 -5.110) 6.796 3.990 ( -6.300 -1.378 1.073) 6.538 4.263 ( 4.379 2.039 7.974) 9.323 4.442 ( -2.891 -6.608 3.871) 8.186 4.489 ( 4.451 9.393 9.734) 14.241 4.661 ( -7.740 -6.605 15.045) 18.163 4.961 ( -5.414 -3.654 19.594) 20.654 5.092 ( 1.915 -5.954 5.369) 8.243 5.280 ( -0.360 -2.554 -1.317) 2.896 5.474 ( 1.355 -2.585 5.147) 5.917 5.572 ( 7.919 9.367 -5.867) 13.597 5.677 ( -6.262 1.724 8.003) 10.307 6.030 ( -2.303 13.304 -1.031) 13.541 6.418 ( -0.816 1.748 -2.273) 2.981 6.601 ( -4.955 -1.036 2.409) 5.606 6.878 ( -2.348 -14.876 1.935) 15.184 7.089 ( 3.897 -4.389 -11.001) 12.469 7.208 ( 1.021 -2.611 -5.156) 5.868 7.283 ( 6.950 -7.040 -9.405) 13.649 7.494 ( -3.756 -4.680 -3.633) 7.015 7.714 ( 6.412 -8.098 -1.007) 10.378 7.982 ( -5.753 4.078 0.691) 7.086 8.240 ( 0.215 2.789 0.256) 2.809 8.387 ( 1.656 7.819 0.141) 7.994 8.545 ( 2.360 0.674 -3.868) 4.580 8.965 ( -0.745 1.949 2.525) 3.276 9.052 ( -5.437 -0.849 8.422) 10.060 9.152 ( 3.167 5.936 -9.557) 11.688 10.168 ( 3.341 -1.029 -8.463) 9.157 10.504 ( 2.064 0.105 -14.162) 14.312 12.562 ( 5.581 -0.023 -0.622) 5.616 12.605 ( 4.982 -4.181 -4.270) 7.781 12.949 ( 1.968 -3.072 -0.394) 3.670 13.224 ( -0.677 -0.807 -3.526) 3.680 13.434 ( 3.738 -3.284 1.955) 5.346 13.577 ( 0.108 -2.849 -0.111) 2.853 13.893 ( -2.396 5.730 0.833) 6.266 14.200 ( 1.943 5.392 -1.268) 5.870 14.551 ( -5.882 -1.703 10.025) 11.747 15.461 ( 0.911 2.126 -7.524) 7.872 16.750 ( -2.596 0.293 9.724) 10.069 17.326 ( -12.240 -13.903 17.723) 25.637 17.748 ( 1.115 -1.745 -5.598) 5.969 18.293 ( -7.052 2.180 -5.993) 9.508 18.535 ( 9.216 0.322 -2.390) 9.526 18.564 ( 4.041 -0.107 -1.212) 4.220 18.610 ( -0.745 1.134 3.191) 3.468 19.216 ( 1.913 6.660 -6.099) 9.232 20.198 ( 0.285 0.842 16.824) 16.847 20.697 ( -6.942 -17.935 23.663) 30.492 21.456 ( -0.183 1.021 -4.101) 4.230 22.046 ( -2.223 -3.216 4.901) 6.270 22.172 ( 2.366 0.705 -11.456) 11.719 22.741 ( 1.159 3.867 -3.110) 5.096 23.586 ( 0.765 -3.884 1.881) 4.383 23.846 ( -4.276 1.271 -3.567) 5.712 24.167 ( 6.445 0.163 -2.831) 7.041 24.178 ( -2.266 15.067 -11.382) 19.019 ======================= Grid point 116 (58/128) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 6.611 0.000 18.533) 19.677 1.653 ( -14.097 -0.000 7.367) 15.906 1.852 ( -8.160 -0.000 4.404) 9.273 2.107 ( 3.528 0.000 2.542) 4.348 2.281 ( -10.680 -0.000 20.241) 22.886 2.492 ( -4.380 -0.000 -1.500) 4.630 2.629 ( 6.614 0.000 3.997) 7.728 2.699 ( -4.144 -0.000 -2.645) 4.916 3.042 ( -6.254 -0.000 17.762) 18.831 3.139 ( 2.353 0.000 -10.015) 10.288 3.232 ( 7.482 0.000 22.386) 23.604 3.442 ( 9.575 0.000 1.765) 9.737 3.532 ( 3.272 0.000 -2.224) 3.956 3.740 ( -1.231 -0.000 14.443) 14.495 3.979 ( 7.241 0.000 7.538) 10.452 4.112 ( -0.253 -0.000 -1.342) 1.365 4.278 ( 5.322 0.000 -2.508) 5.883 4.362 ( -17.993 -0.000 5.509) 18.818 4.585 ( -0.473 -0.000 21.479) 21.484 4.734 ( 1.734 0.000 -8.361) 8.539 4.977 ( -3.497 -0.000 -0.883) 3.607 5.044 ( -7.636 -0.000 23.109) 24.338 5.069 ( -8.585 -0.000 -3.921) 9.438 5.545 ( -4.162 -0.000 12.759) 13.421 5.587 ( 9.746 0.000 -1.497) 9.860 6.002 ( -12.761 -0.000 -3.892) 13.341 6.092 ( 4.274 0.000 -8.324) 9.358 6.184 ( 19.586 0.000 -1.670) 19.658 6.329 ( -3.577 -0.000 5.641) 6.679 6.935 ( -3.078 -0.000 -3.032) 4.320 7.031 ( 2.649 0.000 -13.589) 13.844 7.170 ( -6.700 -0.000 4.673) 8.168 7.484 ( -3.795 -0.000 -3.552) 5.198 7.671 ( 7.478 0.000 -14.451) 16.271 7.703 ( -4.341 -0.000 3.104) 5.337 7.850 ( -2.114 -0.000 2.605) 3.355 8.152 ( 3.782 0.000 -0.197) 3.787 8.476 ( -0.720 -0.000 -2.020) 2.145 8.567 ( -1.806 -0.000 9.460) 9.631 8.708 ( 1.813 0.000 -0.503) 1.881 8.943 ( 2.128 0.000 -9.041) 9.288 9.184 ( -2.796 -0.000 12.140) 12.458 10.114 ( -2.091 -0.000 -13.316) 13.479 10.510 ( 6.571 0.000 -11.976) 13.660 12.722 ( 5.083 0.000 -3.289) 6.054 12.770 ( -2.234 -0.000 -12.100) 12.304 13.054 ( -0.957 -0.000 -0.927) 1.333 13.078 ( -5.932 -0.000 -5.653) 8.194 13.510 ( -5.620 -0.000 -2.331) 6.084 13.664 ( -4.364 -0.000 0.925) 4.461 13.688 ( 0.526 0.000 7.002) 7.021 14.081 ( 2.830 0.000 -1.099) 3.036 14.626 ( 2.230 0.000 10.554) 10.787 15.527 ( 4.981 0.000 -3.905) 6.330 16.773 ( -2.041 -0.000 10.332) 10.531 16.909 ( -10.587 -0.000 15.916) 19.116 17.754 ( 0.019 0.000 -6.093) 6.093 18.268 ( 0.189 0.000 -1.287) 1.300 18.513 ( 1.345 0.000 -0.336) 1.387 18.571 ( -1.256 -0.000 1.618) 2.049 18.671 ( -0.671 -0.000 -5.787) 5.826 19.435 ( 8.179 0.000 -9.512) 12.545 20.291 ( -5.930 -0.000 19.580) 20.459 21.179 ( -6.877 -0.000 6.498) 9.461 21.366 ( 0.284 0.000 -4.572) 4.581 21.782 ( 2.785 0.000 -0.433) 2.819 22.123 ( -2.762 -0.000 6.203) 6.790 22.881 ( 5.685 0.000 -3.907) 6.898 23.580 ( -2.434 -0.000 -2.908) 3.792 23.635 ( -2.260 -0.000 0.140) 2.264 23.751 ( 1.904 0.000 2.197) 2.907 24.419 ( 5.867 0.000 -6.718) 8.919 ======================= Grid point 117 (59/128) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -19.632 8.039 8.490) 22.850 1.719 ( -2.539 -6.960 5.810) 9.415 1.793 ( -5.798 -4.209 11.073) 13.189 2.109 ( -5.805 -0.817 6.070) 8.439 2.328 ( 9.437 3.581 20.541) 22.887 2.553 ( 2.297 -9.729 -0.074) 9.997 2.609 ( -1.513 6.430 5.614) 8.668 2.731 ( -3.434 -4.873 0.222) 5.966 2.976 ( -1.491 2.821 9.362) 9.891 3.188 ( 1.461 -3.004 -3.436) 4.792 3.326 ( 3.016 1.876 9.755) 10.381 3.540 ( 8.173 -1.159 -1.075) 8.324 3.621 ( 0.255 -6.389 -1.198) 6.505 3.741 ( -1.874 1.224 12.593) 12.791 4.056 ( 7.971 3.622 7.705) 11.663 4.088 ( -1.632 1.273 2.740) 3.434 4.240 ( -12.637 -4.734 1.886) 13.625 4.345 ( 0.138 -5.202 -2.728) 5.875 4.575 ( 0.582 8.259 18.865) 20.602 4.724 ( 0.679 0.974 -1.790) 2.148 4.855 ( -7.368 4.713 4.736) 9.946 5.060 ( -0.153 -6.512 6.561) 9.246 5.107 ( -7.989 -5.109 16.505) 19.035 5.355 ( -1.259 15.110 11.589) 19.084 5.762 ( -5.139 0.645 -6.110) 8.009 5.918 ( -1.887 -9.482 0.329) 9.673 6.075 ( -0.805 -0.537 -8.576) 8.630 6.298 ( 3.687 2.282 4.892) 6.537 6.408 ( 16.919 -0.834 1.426) 16.999 6.880 ( -2.499 1.201 -7.218) 7.732 7.051 ( 5.289 -0.406 -9.358) 10.757 7.086 ( -5.142 3.647 3.647) 7.283 7.379 ( -6.118 4.772 -4.362) 8.901 7.559 ( -4.527 6.180 -0.436) 7.673 7.736 ( 4.700 2.628 -7.204) 8.995 7.902 ( -0.654 -7.604 -3.110) 8.242 8.216 ( 4.783 -2.375 -1.111) 5.454 8.421 ( -1.899 1.373 2.581) 3.487 8.630 ( -2.590 -3.617 4.684) 6.460 8.727 ( 0.343 -1.555 0.815) 1.789 8.987 ( 3.857 -4.124 -7.712) 9.558 9.178 ( -2.449 0.841 11.530) 11.817 10.068 ( -1.479 -1.584 -14.412) 14.574 10.539 ( 6.131 1.030 -10.906) 12.553 12.676 ( -5.473 1.845 -11.800) 13.138 12.733 ( 3.335 3.636 -4.088) 6.408 13.009 ( -0.152 0.607 -3.566) 3.620 13.081 ( -1.069 -3.143 -1.332) 3.576 13.384 ( -4.265 6.360 -0.391) 7.668 13.582 ( -2.344 1.916 1.837) 3.541 13.808 ( -2.483 -8.475 3.590) 9.533 14.126 ( 1.004 -3.232 -0.824) 3.483 14.655 ( 2.209 3.180 10.955) 11.619 15.560 ( 4.265 0.644 -4.313) 6.100 16.771 ( -3.653 0.007 10.061) 10.704 16.885 ( -4.722 -1.737 16.248) 17.009 17.740 ( -0.840 -0.508 -5.742) 5.825 18.248 ( 0.844 1.284 -2.297) 2.763 18.522 ( 1.913 1.252 -0.012) 2.286 18.563 ( -1.189 -0.175 1.053) 1.598 18.671 ( -1.396 -2.496 -4.064) 4.970 19.474 ( 6.328 1.297 -9.486) 11.476 20.270 ( -6.402 1.179 19.572) 20.626 21.017 ( -2.751 13.943 9.372) 17.024 21.375 ( 1.087 -1.902 -4.205) 4.741 21.874 ( 1.378 -6.786 -3.275) 7.659 22.092 ( -2.965 2.097 6.286) 7.259 22.929 ( 4.707 -0.205 -4.466) 6.492 23.473 ( -2.515 4.873 0.449) 5.502 23.724 ( -1.356 -8.167 -2.307) 8.594 23.806 ( 2.142 -4.228 1.900) 5.106 24.457 ( 4.038 -0.648 -7.729) 8.744 ======================= Grid point 118 (60/128) ======================= q-point: (-0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -10.241 3.515 14.673) 18.235 1.678 ( -10.342 -5.592 0.172) 11.759 1.979 ( -0.158 -11.816 7.996) 14.268 2.094 ( -9.296 -4.665 12.116) 15.968 2.442 ( 13.677 6.811 13.013) 20.069 2.474 ( -2.940 7.042 9.097) 11.874 2.675 ( -5.365 3.520 -3.685) 7.399 2.736 ( 5.101 -5.464 -0.257) 7.480 3.020 ( -2.106 -6.239 5.212) 8.398 3.222 ( 0.909 0.294 6.011) 6.087 3.320 ( 0.401 1.756 -2.191) 2.836 3.588 ( 0.790 0.268 -4.883) 4.954 3.712 ( 0.048 -2.413 7.980) 8.337 3.753 ( -0.251 -2.871 4.152) 5.054 4.023 ( -8.276 -3.337 6.580) 11.087 4.167 ( 5.792 2.343 8.229) 10.332 4.174 ( -6.576 1.104 1.357) 6.805 4.399 ( -6.380 -5.465 -4.073) 9.336 4.455 ( -0.723 11.429 17.524) 20.934 4.709 ( 1.958 1.833 0.245) 2.694 4.803 ( 0.593 -1.034 10.342) 10.410 5.111 ( -4.579 1.992 16.919) 17.640 5.169 ( -2.323 10.910 19.986) 22.888 5.233 ( -1.959 -11.202 11.139) 15.919 5.592 ( -5.075 5.266 -6.224) 9.603 5.966 ( -6.321 -3.015 -7.420) 10.203 6.184 ( 5.768 -7.586 -2.405) 9.829 6.335 ( 3.346 -2.386 0.869) 4.200 6.588 ( 15.098 2.215 2.387) 15.445 6.822 ( 0.791 2.429 -8.772) 9.136 6.960 ( -1.653 6.845 1.357) 7.171 7.102 ( 4.384 -1.192 -6.543) 7.966 7.208 ( -8.060 5.194 -3.424) 10.182 7.430 ( -6.200 2.340 -2.826) 7.204 7.702 ( 3.744 4.209 -5.077) 7.584 8.000 ( 0.867 -5.652 -6.511) 8.665 8.293 ( 4.665 -0.487 -0.709) 4.744 8.423 ( -3.180 -4.326 0.279) 5.376 8.620 ( 1.493 3.684 2.470) 4.680 8.789 ( -3.462 -6.774 4.864) 9.030 9.051 ( 0.139 -1.971 -4.808) 5.198 9.202 ( 2.393 -1.312 6.558) 7.103 10.057 ( -0.386 -3.402 -13.822) 14.240 10.547 ( 5.262 1.854 -10.330) 11.741 12.559 ( -5.936 0.849 -9.709) 11.411 12.680 ( 2.315 5.036 -3.387) 6.496 13.000 ( 2.761 2.946 -2.148) 4.574 13.118 ( -0.241 -3.243 -2.533) 4.122 13.298 ( -0.492 0.615 0.056) 0.790 13.544 ( -2.050 0.599 0.450) 2.182 13.900 ( -3.744 -6.627 3.071) 8.208 14.184 ( -0.273 -3.632 0.009) 3.643 14.639 ( 1.174 5.030 11.189) 12.324 15.567 ( 2.847 1.639 -5.873) 6.730 16.760 ( -3.574 -0.089 10.003) 10.623 16.940 ( -2.346 -3.836 17.494) 18.063 17.717 ( -1.670 -0.330 -5.174) 5.447 18.258 ( 2.544 -1.335 -3.706) 4.689 18.519 ( 2.395 1.620 -0.893) 3.026 18.557 ( -1.038 -0.213 0.513) 1.177 18.675 ( -1.884 -1.012 -1.498) 2.612 19.475 ( 4.672 2.908 -9.484) 10.965 20.238 ( -5.207 1.629 18.876) 19.649 20.791 ( -4.294 14.433 13.136) 19.982 21.419 ( 2.214 -2.616 -3.562) 4.943 21.967 ( 1.915 -3.847 -2.883) 5.175 22.048 ( -2.751 0.409 2.713) 3.885 22.938 ( 3.031 2.926 -5.976) 7.312 23.419 ( -1.582 -0.319 2.923) 3.339 23.799 ( -1.656 -4.908 -1.973) 5.543 23.935 ( 3.869 -7.326 0.249) 8.289 24.473 ( 1.702 -0.066 -8.841) 9.004 ======================= Grid point 119 (61/128) ======================= q-point: (-0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.211 -0.546 21.752) 21.792 1.755 ( -1.892 -13.282 -3.483) 13.861 2.083 ( -9.268 -5.504 11.682) 15.895 2.174 ( -3.684 -9.830 3.541) 11.079 2.276 ( -6.629 10.312 10.821) 16.352 2.544 ( -7.543 -1.880 -1.468) 7.911 2.590 ( 20.576 8.651 7.458) 23.534 2.775 ( -3.761 1.731 -4.870) 6.392 3.088 ( 0.363 0.867 2.144) 2.341 3.241 ( 1.023 -1.426 6.667) 6.894 3.317 ( 2.376 -0.989 1.863) 3.177 3.538 ( -1.246 3.649 -4.354) 5.816 3.734 ( -1.722 -1.686 2.047) 3.162 3.815 ( 1.149 0.003 4.125) 4.282 3.856 ( -11.728 14.264 12.336) 22.207 4.132 ( -5.490 0.324 12.374) 13.541 4.176 ( -10.334 -4.246 6.293) 12.823 4.339 ( 6.513 4.286 5.715) 9.667 4.458 ( -5.063 -5.889 3.779) 8.637 4.716 ( 2.580 2.247 8.612) 9.267 4.922 ( 1.551 -5.678 11.361) 12.796 5.033 ( -4.070 4.988 15.005) 16.327 5.062 ( -4.499 3.333 8.007) 9.770 5.386 ( -2.743 -6.058 19.316) 20.429 5.561 ( 4.153 -2.447 -2.492) 5.426 5.917 ( -0.989 2.137 -6.638) 7.043 6.286 ( 2.165 -1.261 -1.510) 2.925 6.450 ( 3.414 -6.866 -6.276) 9.909 6.615 ( 4.264 5.505 -0.555) 6.985 6.679 ( -1.750 12.057 -5.478) 13.358 6.955 ( -0.693 -2.036 5.175) 5.604 7.105 ( -2.090 -3.544 -4.659) 6.215 7.151 ( 4.349 -2.284 -8.968) 10.225 7.356 ( -3.846 -1.580 -5.353) 6.778 7.679 ( 5.130 2.946 -3.028) 6.646 8.035 ( -1.386 -1.353 -6.234) 6.528 8.308 ( 0.524 1.673 2.570) 3.111 8.478 ( 0.678 -4.739 -4.370) 6.482 8.586 ( 2.495 4.694 0.920) 5.395 8.872 ( -3.264 -6.459 8.311) 11.020 9.034 ( -2.725 0.131 -2.440) 3.660 9.265 ( 4.208 0.195 -0.871) 4.301 10.085 ( 0.968 -4.215 -11.708) 12.481 10.538 ( 4.280 2.053 -10.865) 11.856 12.498 ( -2.944 -2.325 -6.604) 7.595 12.627 ( 2.576 3.858 -2.283) 5.170 12.965 ( 2.904 3.963 -0.307) 4.923 13.156 ( -0.850 -3.399 -5.113) 6.198 13.338 ( 2.334 -2.925 0.374) 3.761 13.531 ( 0.232 -0.743 -0.805) 1.120 13.944 ( -4.581 -3.403 3.404) 6.645 14.225 ( -0.311 -2.061 0.607) 2.171 14.597 ( -0.493 4.633 10.943) 11.893 15.537 ( 1.235 2.579 -7.702) 8.215 16.755 ( -2.833 -0.061 9.969) 10.364 17.034 ( -3.923 -5.622 19.124) 20.316 17.700 ( 0.189 -0.952 -4.917) 5.012 18.286 ( -2.273 -1.861 -5.205) 5.977 18.539 ( 4.491 0.268 -2.368) 5.084 18.555 ( 2.501 -0.157 -0.037) 2.506 18.654 ( -1.838 0.973 1.387) 2.500 19.425 ( 2.871 5.569 -9.438) 11.329 20.224 ( -2.915 0.934 17.914) 18.174 20.588 ( -7.841 8.163 17.873) 21.156 21.463 ( 2.255 -0.971 -3.765) 4.495 21.988 ( -1.699 0.556 7.419) 7.631 22.081 ( 2.235 -5.090 -10.062) 11.496 22.880 ( 1.500 4.908 -5.889) 7.812 23.455 ( -0.421 -3.841 3.354) 5.117 23.831 ( -2.165 -2.525 -2.109) 3.938 24.089 ( 6.345 -5.565 -0.846) 8.482 24.432 ( -1.220 2.849 -10.239) 10.698 ======================= Grid point 120 (62/128) ======================= q-point: (-0.14 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 4.522 -1.893 21.526) 22.077 1.904 ( -4.081 -2.595 -4.073) 6.323 2.041 ( -6.742 2.547 1.275) 7.319 2.131 ( -1.395 -0.202 16.343) 16.404 2.317 ( -6.110 -12.886 6.079) 15.503 2.517 ( 1.315 -0.536 -2.971) 3.293 2.628 ( -10.783 1.864 -4.327) 11.768 2.742 ( 15.197 2.607 9.343) 18.028 2.950 ( -4.676 10.847 0.201) 11.814 3.279 ( 5.488 8.299 12.363) 15.869 3.398 ( 0.695 -0.691 6.589) 6.662 3.476 ( -1.027 -0.387 -0.759) 1.334 3.652 ( -0.432 5.799 10.576) 12.070 3.729 ( -1.498 -2.199 -3.639) 4.508 3.769 ( -2.763 6.393 4.768) 8.440 3.947 ( -11.826 5.684 4.225) 13.785 4.266 ( -9.067 -10.976 14.583) 20.380 4.390 ( 7.813 3.274 6.651) 10.771 4.521 ( -4.764 -6.550 8.319) 11.611 4.685 ( 1.438 7.847 10.863) 13.477 4.936 ( -7.102 2.439 16.608) 18.227 5.001 ( -3.918 -5.985 -0.906) 7.211 5.152 ( -1.387 -10.453 10.316) 14.752 5.516 ( 6.401 -3.673 12.143) 14.210 5.625 ( 0.470 0.280 4.576) 4.608 5.832 ( 6.342 9.502 -7.590) 13.716 6.218 ( 1.973 11.599 -5.667) 13.059 6.454 ( -3.074 6.953 -3.538) 8.385 6.521 ( -8.250 -0.576 -1.731) 8.450 6.656 ( 1.755 -10.037 -0.380) 10.196 7.001 ( -0.593 -6.419 -5.341) 8.372 7.146 ( -2.903 -4.434 -5.232) 7.447 7.233 ( 5.752 -3.607 -8.937) 11.224 7.388 ( 0.748 -5.445 -1.231) 5.632 7.717 ( 6.639 -0.748 -0.774) 6.726 7.984 ( -3.156 2.319 -4.578) 6.024 8.290 ( 0.598 2.403 3.524) 4.307 8.509 ( -0.468 6.931 -1.188) 7.048 8.540 ( 2.248 -2.861 -5.223) 6.365 8.961 ( -0.460 -2.943 8.175) 8.701 8.990 ( -4.130 -1.035 0.674) 4.310 9.251 ( 1.896 4.946 -5.756) 7.822 10.134 ( 2.353 -3.548 -9.097) 10.044 10.513 ( 3.074 2.067 -12.806) 13.331 12.532 ( 0.049 -5.308 -5.998) 8.009 12.624 ( 4.856 0.052 -0.431) 4.875 12.961 ( 3.381 0.690 0.787) 3.539 13.166 ( -2.223 -2.249 -6.931) 7.618 13.397 ( -0.911 -3.139 1.502) 3.597 13.572 ( 3.746 -1.571 -1.868) 4.471 13.928 ( -2.650 1.305 3.516) 4.592 14.244 ( 0.094 -0.202 0.326) 0.394 14.549 ( -2.653 3.322 10.618) 11.437 15.485 ( 1.028 2.364 -8.050) 8.453 16.756 ( -2.245 0.136 10.030) 10.279 17.108 ( -9.802 -5.774 19.275) 22.382 17.736 ( 4.595 -2.097 -4.871) 7.017 18.222 ( -7.238 0.882 -3.920) 8.278 18.538 ( -0.773 -0.018 -0.805) 1.116 18.619 ( -0.334 1.396 0.944) 1.718 18.669 ( 10.530 -1.993 -3.851) 11.388 19.327 ( 2.549 6.689 -8.018) 10.748 20.247 ( -1.484 -0.164 16.800) 16.866 20.522 ( -7.671 -4.228 22.363) 24.017 21.469 ( 1.436 1.302 -4.350) 4.763 21.994 ( -2.522 -1.887 6.236) 6.986 22.142 ( 2.010 -2.689 -10.745) 11.257 22.813 ( 2.341 3.942 -4.646) 6.527 23.522 ( -1.198 -4.431 2.625) 5.288 23.818 ( -1.953 0.533 -2.139) 2.945 24.220 ( 7.599 -2.304 -2.300) 8.267 24.291 ( -3.924 8.495 -10.741) 14.245 ======================= Grid point 124 (63/128) ======================= q-point: ( 0.43 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -17.843 -0.000 14.259) 22.840 1.629 ( -10.786 -0.000 6.210) 12.446 1.785 ( 2.902 0.000 13.238) 13.552 2.009 ( -12.667 -0.000 13.503) 18.515 2.372 ( -4.986 -0.000 1.196) 5.127 2.621 ( 17.759 0.000 19.134) 26.105 2.668 ( 1.089 0.000 0.317) 1.134 2.709 ( 0.155 0.000 0.405) 0.434 2.933 ( -10.087 -0.000 15.148) 18.199 3.257 ( 12.689 0.000 -6.413) 14.218 3.378 ( -6.434 -0.000 1.191) 6.543 3.555 ( 0.088 0.000 -3.145) 3.146 3.558 ( 0.046 0.000 -2.768) 2.768 3.780 ( -0.118 -0.000 19.827) 19.828 4.008 ( -10.724 -0.000 -1.783) 10.872 4.085 ( -1.460 -0.000 -3.319) 3.626 4.216 ( 3.937 0.000 11.380) 12.042 4.280 ( -4.967 -0.000 -5.255) 7.231 4.734 ( 0.893 0.000 29.457) 29.471 4.746 ( 5.829 0.000 -6.207) 8.514 4.801 ( -9.626 -0.000 9.021) 13.193 4.993 ( 2.177 0.000 -2.430) 3.263 5.107 ( 0.782 0.000 16.579) 16.598 5.551 ( -1.623 -0.000 7.214) 7.394 5.699 ( 0.207 0.000 -3.599) 3.605 5.786 ( -6.383 -0.000 2.290) 6.781 6.021 ( -2.022 -0.000 -4.796) 5.205 6.347 ( -0.285 -0.000 6.172) 6.178 6.615 ( 21.018 0.000 1.158) 21.050 6.842 ( -0.336 -0.000 -12.415) 12.420 7.039 ( -8.973 -0.000 4.715) 10.137 7.096 ( 6.136 0.000 -4.372) 7.534 7.325 ( -6.531 -0.000 -8.370) 10.616 7.604 ( -6.672 -0.000 6.390) 9.238 7.770 ( 8.244 0.000 -12.028) 14.582 7.832 ( 0.225 0.000 -3.096) 3.104 8.229 ( 3.230 0.000 -1.769) 3.683 8.429 ( -2.762 -0.000 -0.104) 2.764 8.544 ( -4.544 -0.000 10.166) 11.136 8.753 ( 1.616 0.000 -0.555) 1.709 8.984 ( 5.790 0.000 -7.080) 9.146 9.183 ( -3.376 -0.000 11.682) 12.160 10.002 ( -0.528 -0.000 -15.866) 15.875 10.580 ( 5.571 0.000 -10.412) 11.809 12.579 ( -7.593 -0.000 -13.930) 15.865 12.795 ( 3.156 0.000 -3.745) 4.898 13.011 ( -1.894 -0.000 -2.056) 2.796 13.034 ( 2.976 0.000 -0.851) 3.096 13.393 ( -3.927 -0.000 -1.958) 4.388 13.567 ( -5.108 -0.000 0.298) 5.117 13.736 ( 0.555 0.000 6.191) 6.216 14.106 ( 0.322 0.000 -1.504) 1.538 14.734 ( 2.015 0.000 10.944) 11.128 15.593 ( 2.868 0.000 -3.497) 4.523 16.757 ( -3.885 -0.000 9.934) 10.667 16.885 ( -1.432 -0.000 16.147) 16.211 17.716 ( -0.328 -0.000 -5.851) 5.860 18.240 ( -0.905 -0.000 -3.774) 3.881 18.553 ( -0.597 -0.000 -0.102) 0.605 18.569 ( 2.474 0.000 3.017) 3.902 18.626 ( -0.653 -0.000 -3.807) 3.863 19.517 ( 4.941 0.000 -9.724) 10.907 20.264 ( -6.511 -0.000 18.980) 20.065 21.131 ( -1.794 -0.000 7.213) 7.433 21.361 ( 1.489 0.000 -3.938) 4.210 21.821 ( 1.231 0.000 -2.308) 2.616 22.102 ( -2.551 -0.000 7.497) 7.919 22.957 ( 3.638 0.000 -3.558) 5.089 23.551 ( 1.033 0.000 -2.140) 2.376 23.593 ( -1.672 -0.000 0.006) 1.672 23.797 ( 1.129 0.000 2.368) 2.624 24.461 ( 2.001 0.000 -8.521) 8.753 ======================= Grid point 125 (64/128) ======================= q-point: (-0.43 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -5.279 2.026 17.495) 18.386 1.514 ( -13.014 -1.282 6.221) 14.481 1.892 ( 3.729 -5.052 8.814) 10.822 1.943 ( -13.421 -3.648 16.692) 21.727 2.381 ( -9.308 -4.448 -0.297) 10.320 2.630 ( -3.310 4.105 1.684) 5.535 2.714 ( 5.805 -0.612 3.172) 6.643 2.825 ( 10.392 1.161 16.418) 19.465 2.944 ( 0.414 -3.974 8.760) 9.628 3.208 ( -11.050 -0.375 -2.670) 11.374 3.377 ( 5.673 2.025 -2.193) 6.411 3.489 ( -6.572 -0.828 -1.500) 6.791 3.662 ( 1.679 -7.904 0.931) 8.134 3.801 ( 0.279 5.422 15.610) 16.527 3.916 ( -6.902 1.396 0.702) 7.077 4.086 ( -3.093 -4.218 -2.611) 5.846 4.227 ( -6.387 -3.520 -3.395) 8.045 4.258 ( 0.441 -0.300 5.803) 5.827 4.658 ( -8.516 6.768 21.053) 23.698 4.790 ( 4.622 4.485 3.577) 7.367 4.829 ( 6.386 -0.369 5.119) 8.193 5.075 ( -1.431 -4.723 7.622) 9.080 5.192 ( 5.360 -2.567 10.696) 12.236 5.388 ( -3.120 13.140 13.440) 19.054 5.641 ( -0.574 6.681 -2.316) 7.094 5.793 ( -6.886 -6.509 -5.587) 11.000 6.102 ( 3.977 -8.976 -0.274) 9.821 6.350 ( -0.838 0.002 5.566) 5.629 6.789 ( 8.864 3.201 -6.825) 11.636 6.850 ( 11.607 -1.262 -5.227) 12.792 6.954 ( -8.559 -0.039 6.429) 10.705 7.128 ( 3.603 1.569 -4.433) 5.924 7.209 ( -4.827 4.488 -8.981) 11.140 7.458 ( -4.496 9.068 2.741) 10.486 7.790 ( 3.272 3.427 -5.100) 6.962 7.901 ( 3.270 -6.677 -7.441) 10.519 8.290 ( 0.658 -5.617 -4.209) 7.050 8.369 ( -1.446 3.045 2.894) 4.443 8.598 ( -3.354 -7.054 8.908) 11.847 8.739 ( -0.062 2.058 -1.034) 2.304 9.039 ( 3.682 -0.550 -4.457) 5.807 9.200 ( -0.684 -2.542 8.695) 9.084 9.975 ( 1.033 -2.042 -15.671) 15.837 10.596 ( 4.616 1.210 -10.080) 11.152 12.464 ( -6.770 -0.089 -11.593) 13.425 12.768 ( 1.223 4.146 -4.317) 6.109 13.011 ( -0.506 -2.236 -2.610) 3.474 13.095 ( 5.033 -0.971 -0.570) 5.158 13.322 ( -1.176 3.036 -0.388) 3.279 13.517 ( -3.847 -0.385 -1.113) 4.023 13.794 ( -1.170 -4.311 5.243) 6.888 14.124 ( -0.661 -2.992 -1.171) 3.281 14.752 ( 0.914 3.641 10.942) 11.568 15.597 ( 1.185 1.075 -3.992) 4.300 16.750 ( -3.014 -0.182 9.852) 10.305 16.936 ( 0.028 -1.374 17.398) 17.452 17.696 ( 0.037 0.307 -5.647) 5.655 18.230 ( -0.489 -1.198 -4.502) 4.684 18.547 ( -0.467 0.045 -0.223) 0.520 18.576 ( 2.734 1.727 0.002) 3.233 18.640 ( -0.295 -1.762 -0.359) 1.822 19.525 ( 3.710 1.359 -10.104) 10.849 20.244 ( -6.112 0.278 17.863) 18.882 21.007 ( -3.044 14.626 9.537) 17.724 21.402 ( 3.246 -2.808 -2.451) 4.943 21.879 ( 0.826 -6.581 -4.864) 8.225 22.075 ( -2.129 2.942 7.770) 8.577 22.978 ( 2.291 0.714 -4.737) 5.311 23.457 ( 0.397 5.511 1.198) 5.654 23.696 ( -0.044 -6.815 -1.746) 7.035 23.863 ( 2.260 -6.502 1.813) 7.118 24.451 ( -0.250 -0.396 -9.040) 9.052 ======================= Grid point 126 (65/128) ======================= q-point: (-0.29 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 4.307 0.368 18.742) 19.235 1.529 ( -2.861 -12.443 2.347) 12.981 1.900 ( -16.039 -4.837 9.927) 19.473 2.040 ( 1.521 -6.683 3.575) 7.730 2.261 ( -12.313 1.456 4.436) 13.168 2.539 ( -1.829 4.871 6.763) 8.533 2.746 ( -2.823 2.433 0.554) 3.768 2.961 ( 16.128 4.004 10.247) 19.523 3.078 ( 6.219 -5.800 4.478) 9.611 3.164 ( -8.925 -4.956 -0.501) 10.221 3.372 ( 0.279 -2.074 0.796) 2.240 3.458 ( -8.471 -4.823 3.754) 10.446 3.703 ( -3.648 5.663 3.481) 7.582 3.777 ( -4.713 1.698 0.378) 5.024 3.808 ( -4.564 -2.156 8.231) 9.655 4.103 ( -4.978 0.178 8.323) 9.699 4.231 ( -2.656 0.234 0.188) 2.673 4.288 ( -0.662 -4.340 2.239) 4.928 4.525 ( -1.883 7.299 14.156) 16.038 4.767 ( -1.435 0.764 9.433) 9.573 4.915 ( 4.406 -0.046 7.925) 9.068 5.082 ( -4.560 1.635 5.717) 7.493 5.134 ( -5.023 11.105 8.392) 14.798 5.415 ( 5.331 -3.071 24.309) 25.075 5.581 ( 6.065 1.063 -4.135) 7.417 5.824 ( -2.360 -7.215 -9.590) 12.231 6.260 ( 2.813 -5.071 -1.453) 5.979 6.382 ( -0.374 -3.852 1.831) 4.281 6.759 ( 4.906 6.011 -8.552) 11.547 6.842 ( -5.988 1.232 1.265) 6.243 6.935 ( -1.018 12.651 0.147) 12.693 7.054 ( -1.226 0.915 -3.572) 3.886 7.155 ( 7.340 -0.807 -5.300) 9.090 7.333 ( -0.251 2.825 -2.417) 3.726 7.771 ( 4.506 2.685 -2.415) 5.774 7.973 ( -0.030 -2.858 -7.818) 8.324 8.305 ( -4.978 -2.184 0.747) 5.488 8.409 ( 4.499 -3.634 -2.626) 6.351 8.671 ( 1.148 3.558 -0.414) 3.761 8.737 ( -3.487 -8.833 7.388) 12.032 9.034 ( -0.317 1.887 0.363) 1.947 9.276 ( 2.081 -2.917 0.529) 3.623 10.003 ( 2.914 -4.083 -13.354) 14.265 10.585 ( 3.613 2.174 -10.294) 11.124 12.398 ( -4.123 -2.660 -7.540) 8.996 12.703 ( 1.128 3.870 -3.951) 5.644 13.027 ( -0.495 -0.829 -2.799) 2.961 13.120 ( 3.322 2.463 -1.962) 4.578 13.326 ( 2.031 -1.622 0.445) 2.637 13.504 ( -0.307 -2.413 -2.879) 3.769 13.854 ( -2.469 -4.112 5.371) 7.201 14.169 ( -0.982 -4.080 -0.167) 4.200 14.708 ( -0.630 5.861 10.683) 12.202 15.563 ( -0.082 2.257 -5.494) 5.940 16.752 ( -2.404 -0.277 9.928) 10.218 17.009 ( -0.694 -1.387 19.101) 19.164 17.691 ( 2.434 -0.592 -5.132) 5.710 18.222 ( -2.824 -0.743 -4.512) 5.374 18.540 ( -0.320 0.140 -0.484) 0.596 18.608 ( 6.006 -0.933 -3.563) 7.045 18.650 ( -1.166 -0.129 2.160) 2.458 19.493 ( 2.249 3.337 -10.767) 11.495 20.233 ( -5.308 -0.593 16.804) 17.632 20.735 ( -7.603 16.086 15.105) 23.339 21.469 ( 3.516 -1.443 -2.230) 4.407 21.989 ( 2.609 -7.113 -8.051) 11.055 22.023 ( -1.683 3.440 7.656) 8.561 22.941 ( 0.440 3.660 -6.380) 7.368 23.432 ( 1.038 -0.035 3.178) 3.344 23.766 ( -0.225 -3.695 -1.059) 3.850 24.038 ( 5.622 -9.460 -0.365) 11.011 24.410 ( -2.662 0.770 -9.372) 9.773 ======================= Grid point 127 (66/128) ======================= q-point: (-0.14 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 9.469 -1.576 15.881) 18.557 1.752 ( -15.627 -3.271 -4.516) 16.592 1.810 ( -0.469 -16.276 -0.757) 16.300 2.116 ( -4.723 -5.619 5.344) 9.080 2.233 ( -1.307 -1.883 15.454) 15.623 2.472 ( -2.317 4.434 2.191) 5.462 2.648 ( -2.173 5.096 3.542) 6.576 3.023 ( 10.719 7.145 5.075) 13.845 3.046 ( -3.789 8.028 -2.157) 9.136 3.315 ( 4.815 -11.624 0.156) 12.582 3.417 ( 0.986 1.622 7.992) 8.215 3.508 ( -4.868 -4.373 12.162) 13.811 3.612 ( -8.978 1.657 0.967) 9.181 3.636 ( -5.675 -4.909 -2.264) 7.838 3.856 ( -0.826 0.573 6.298) 6.378 4.002 ( -6.068 11.804 11.257) 17.404 4.113 ( -5.465 0.944 13.923) 14.987 4.402 ( -0.762 -6.988 2.033) 7.317 4.524 ( 3.957 0.643 7.770) 8.743 4.817 ( -3.079 -6.297 11.753) 13.685 4.879 ( -2.263 10.931 5.079) 12.264 4.972 ( -5.464 5.446 7.053) 10.453 5.048 ( -4.008 -3.974 14.525) 15.583 5.562 ( 2.717 -2.161 19.985) 20.284 5.672 ( 8.036 -1.585 -4.093) 9.157 5.900 ( 3.054 -4.889 -10.572) 12.042 6.290 ( -3.591 0.516 -3.772) 5.233 6.417 ( -4.078 -2.083 1.240) 4.744 6.610 ( 3.015 17.164 -10.747) 20.474 6.696 ( 2.478 9.104 0.799) 9.469 6.859 ( -3.648 -9.075 1.348) 9.873 7.020 ( -4.338 -1.941 -6.774) 8.275 7.233 ( 4.433 -0.664 -7.950) 9.126 7.361 ( 5.477 -2.397 0.595) 6.008 7.783 ( 3.162 1.434 -0.098) 3.473 7.963 ( 0.133 -0.054 -7.951) 7.952 8.311 ( -1.163 -1.934 1.859) 2.924 8.489 ( 2.223 -3.052 -3.614) 5.227 8.583 ( -3.024 4.944 -2.108) 6.167 8.884 ( 0.222 -7.904 8.618) 11.696 8.995 ( -0.574 2.657 1.986) 3.366 9.297 ( 0.356 1.430 -5.448) 5.644 10.078 ( 4.234 -4.473 -10.148) 11.871 10.549 ( 2.560 2.859 -11.612) 12.230 12.424 ( -0.828 -6.012 -4.291) 7.432 12.667 ( 2.037 1.274 -3.109) 3.929 13.011 ( -0.276 0.997 -1.268) 1.637 13.112 ( 1.767 0.811 -5.481) 5.816 13.353 ( -1.445 -1.375 0.472) 2.050 13.567 ( 3.068 -2.954 -3.204) 5.329 13.907 ( -0.252 -3.153 5.352) 6.217 14.217 ( -0.738 -2.926 0.830) 3.130 14.628 ( -2.566 6.010 10.373) 12.260 15.509 ( 0.517 2.288 -6.811) 7.204 16.760 ( -2.122 -0.241 10.115) 10.338 17.047 ( -4.361 0.287 19.493) 19.976 17.749 ( 6.573 -2.309 -4.492) 8.289 18.159 ( -5.759 1.280 -3.097) 6.663 18.533 ( -0.285 0.283 -0.740) 0.842 18.631 ( -1.402 0.946 1.406) 2.199 18.707 ( 7.212 -3.272 -5.802) 9.817 19.413 ( 0.988 5.042 -10.159) 11.384 20.242 ( -5.536 -1.726 16.003) 17.021 20.519 ( -7.272 6.311 21.179) 23.265 21.496 ( 2.172 0.876 -3.540) 4.245 21.982 ( -2.079 1.327 6.500) 6.952 22.091 ( 3.563 -4.049 -9.231) 10.691 22.870 ( 0.669 3.155 -6.017) 6.827 23.468 ( -0.120 -2.025 3.184) 3.776 23.804 ( 0.777 -1.249 -0.703) 1.631 24.230 ( 7.303 -6.211 -2.721) 9.966 24.311 ( -4.426 3.915 -9.230) 10.960 ======================= Grid point 132 (67/128) ======================= q-point: (-0.43 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 4.562 0.000 16.379) 17.002 1.376 ( -16.096 -0.000 11.490) 19.776 1.808 ( -15.932 -0.000 17.395) 23.588 1.924 ( 3.713 0.000 7.911) 8.739 2.285 ( -3.721 -0.000 4.372) 5.741 2.581 ( -4.965 -0.000 -3.582) 6.123 2.763 ( -12.697 -0.000 6.129) 14.099 2.844 ( 8.530 0.000 3.640) 9.274 2.942 ( -16.113 -0.000 8.081) 18.026 3.136 ( 9.866 0.000 14.490) 17.530 3.445 ( 0.591 0.000 -0.439) 0.736 3.531 ( -2.744 -0.000 2.434) 3.668 3.545 ( 5.440 0.000 -3.131) 6.276 3.902 ( 1.307 0.000 3.174) 3.432 3.933 ( -0.838 -0.000 17.152) 17.173 3.951 ( -9.876 -0.000 -6.870) 12.030 4.148 ( -0.895 -0.000 -4.792) 4.875 4.241 ( -3.019 -0.000 2.645) 4.014 4.612 ( -14.899 -0.000 22.562) 27.037 4.903 ( 9.628 0.000 -6.483) 11.607 4.946 ( 0.312 0.000 18.705) 18.708 5.053 ( 4.085 0.000 -2.679) 4.885 5.258 ( 6.646 0.000 12.025) 13.739 5.531 ( -2.279 -0.000 3.990) 4.596 5.562 ( -6.752 -0.000 -8.978) 11.234 5.777 ( 1.497 0.000 6.397) 6.570 6.041 ( 2.450 0.000 1.553) 2.901 6.342 ( -2.619 -0.000 5.759) 6.327 6.809 ( 3.191 0.000 -13.242) 13.621 6.813 ( -12.767 -0.000 4.177) 13.433 7.080 ( 19.734 0.000 5.695) 20.540 7.158 ( -0.536 -0.000 -5.602) 5.627 7.198 ( 2.603 0.000 -8.689) 9.071 7.528 ( -3.579 -0.000 6.008) 6.993 7.828 ( 1.460 0.000 -3.717) 3.993 7.868 ( 6.319 0.000 -9.911) 11.754 8.213 ( -2.529 -0.000 -5.997) 6.508 8.415 ( 0.818 0.000 3.379) 3.477 8.500 ( -5.132 -0.000 9.973) 11.216 8.749 ( -1.530 -0.000 -0.968) 1.811 9.081 ( 6.469 0.000 -7.311) 9.762 9.177 ( -3.135 -0.000 11.189) 11.620 9.937 ( 3.136 0.000 -16.000) 16.305 10.621 ( 3.645 0.000 -10.105) 10.743 12.364 ( -5.882 -0.000 -10.446) 11.988 12.775 ( -2.432 -0.000 -6.803) 7.225 12.991 ( 1.120 0.000 -1.031) 1.522 13.159 ( 8.563 0.000 0.352) 8.571 13.337 ( -0.704 -0.000 -0.248) 0.747 13.455 ( -4.973 -0.000 -2.687) 5.653 13.778 ( 0.280 0.000 5.574) 5.581 14.084 ( -1.389 -0.000 -1.643) 2.152 14.813 ( -0.425 -0.000 10.620) 10.628 15.599 ( -0.558 -0.000 -3.134) 3.183 16.747 ( -2.385 -0.000 9.698) 9.987 16.992 ( 2.780 0.000 18.795) 18.999 17.688 ( 1.043 0.000 -6.003) 6.093 18.205 ( -0.156 -0.000 -4.730) 4.733 18.544 ( -0.144 -0.000 -0.163) 0.218 18.609 ( 1.021 0.000 -4.346) 4.464 18.628 ( 1.031 0.000 3.688) 3.829 19.538 ( 2.388 0.000 -11.038) 11.294 20.221 ( -7.171 -0.000 16.288) 17.797 21.181 ( 2.191 0.000 10.592) 10.816 21.383 ( 2.367 0.000 -3.076) 3.881 21.800 ( -1.499 -0.000 -3.548) 3.852 22.105 ( -1.244 -0.000 7.960) 8.056 22.992 ( 1.503 0.000 -4.187) 4.448 23.568 ( -0.606 -0.000 -0.310) 0.680 23.595 ( 4.020 0.000 -1.529) 4.301 23.821 ( -0.146 -0.000 2.633) 2.637 24.411 ( -2.055 -0.000 -9.038) 9.269 ======================= Grid point 133 (68/128) ======================= q-point: (-0.29 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -7.486 -4.370 12.443) 15.164 1.365 ( 9.500 -4.526 11.539) 15.617 1.683 ( -19.556 -1.540 10.881) 22.432 2.005 ( 3.079 -3.370 5.018) 6.784 2.228 ( -5.280 4.035 10.239) 12.206 2.549 ( -4.061 -1.566 1.482) 4.598 2.724 ( -9.546 -11.506 3.479) 15.350 2.818 ( -13.332 -2.535 11.952) 18.084 3.001 ( 7.335 -6.366 4.940) 10.896 3.252 ( 8.784 4.831 8.861) 13.379 3.346 ( -6.134 6.170 -3.429) 9.352 3.476 ( 1.584 2.182 6.149) 6.714 3.686 ( -1.980 -3.202 0.212) 3.770 3.760 ( -5.524 2.561 2.540) 6.598 3.902 ( 2.795 7.451 7.310) 10.806 4.053 ( 0.454 -11.615 -1.322) 11.699 4.087 ( -5.557 2.670 3.431) 7.056 4.281 ( 0.075 -3.890 1.781) 4.278 4.521 ( -13.293 -0.522 19.127) 23.299 4.862 ( -1.432 8.595 9.067) 12.575 5.014 ( 5.524 -0.974 -1.115) 5.719 5.064 ( -1.573 2.105 5.360) 5.969 5.309 ( -1.442 12.182 6.199) 13.745 5.429 ( 5.222 -5.653 6.500) 10.073 5.649 ( -3.100 -8.279 -4.946) 10.130 5.723 ( 4.188 7.068 2.602) 8.618 6.150 ( -1.410 -8.661 -0.165) 8.777 6.350 ( -0.394 -1.817 3.728) 4.166 6.703 ( -12.758 -1.771 7.361) 14.835 6.816 ( 3.622 -0.424 -10.253) 10.882 7.093 ( 1.262 6.260 -8.429) 10.574 7.174 ( 3.645 6.262 -5.766) 9.260 7.270 ( 15.993 3.806 3.720) 16.855 7.420 ( -0.603 8.264 2.542) 8.667 7.828 ( 2.115 1.177 -1.501) 2.848 7.920 ( 2.018 -2.437 -8.713) 9.269 8.195 ( -3.455 -3.045 -5.042) 6.829 8.417 ( 1.656 -0.889 2.306) 2.975 8.578 ( -4.070 -9.524 7.690) 12.900 8.711 ( -1.031 1.650 -0.544) 2.020 9.081 ( 1.704 3.219 -0.509) 3.678 9.230 ( -0.041 -4.661 2.165) 5.139 9.958 ( 5.417 -2.428 -14.240) 15.428 10.616 ( 2.666 1.243 -10.375) 10.784 12.301 ( -3.725 -1.899 -6.322) 7.580 12.719 ( -2.413 0.746 -7.207) 7.637 13.000 ( 0.711 0.117 -1.563) 1.721 13.229 ( 6.287 3.871 -0.298) 7.389 13.331 ( 0.303 0.042 0.966) 1.013 13.438 ( 0.140 -4.380 -4.466) 6.256 13.808 ( -0.555 -1.905 5.489) 5.836 14.092 ( -1.532 -3.619 -1.039) 4.065 14.799 ( -2.228 3.755 10.123) 11.024 15.568 ( -1.619 1.142 -3.695) 4.193 16.751 ( -2.225 -0.212 9.703) 9.957 17.082 ( 4.453 1.145 20.675) 21.180 17.696 ( 3.165 -0.937 -5.634) 6.530 18.188 ( -1.030 0.500 -4.473) 4.617 18.541 ( 0.071 0.232 -0.322) 0.403 18.620 ( 2.380 -1.351 -6.005) 6.599 18.646 ( -0.086 -0.347 3.716) 3.733 19.511 ( 0.318 1.348 -12.381) 12.458 20.193 ( -7.703 -1.040 15.310) 17.170 21.010 ( -2.333 21.651 13.364) 25.550 21.469 ( 3.370 -3.217 -0.998) 4.765 21.867 ( 1.677 -9.678 -5.426) 11.222 22.087 ( -0.965 3.433 7.510) 8.314 22.966 ( -0.812 2.467 -5.878) 6.427 23.495 ( 2.323 4.477 1.329) 5.216 23.709 ( 2.174 -4.739 -0.756) 5.268 23.919 ( 2.368 -11.045 0.494) 11.306 24.357 ( -3.734 0.063 -8.756) 9.519 ======================= Grid point 134 (69/128) ======================= q-point: (-0.14 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -4.166 -8.941 5.415) 11.253 1.513 ( -11.870 -0.589 5.991) 13.309 1.624 ( 9.738 -10.985 8.723) 17.076 2.072 ( 0.187 -0.399 3.480) 3.507 2.222 ( 1.859 -2.230 13.242) 13.556 2.535 ( -1.907 1.420 6.053) 6.503 2.713 ( -1.842 4.304 7.236) 8.618 2.911 ( -15.896 -18.105 9.323) 25.833 3.171 ( -6.140 2.431 0.466) 6.621 3.214 ( 1.780 -6.808 3.673) 7.937 3.244 ( 0.721 -0.422 4.245) 4.326 3.471 ( -1.017 2.716 4.906) 5.699 3.576 ( -1.852 2.939 -2.147) 4.084 3.781 ( 4.190 9.632 1.023) 10.553 3.842 ( 0.014 -1.594 5.964) 6.173 4.012 ( -7.425 0.035 11.917) 14.041 4.206 ( -0.176 0.356 -0.547) 0.676 4.317 ( 1.269 -3.520 7.070) 7.999 4.489 ( -7.219 -5.580 9.258) 12.999 4.756 ( -3.220 3.951 11.488) 12.568 5.015 ( -5.328 1.026 9.625) 11.049 5.018 ( -3.648 3.836 9.011) 10.451 5.140 ( 4.891 14.074 6.888) 16.415 5.579 ( 1.812 -4.600 5.914) 7.709 5.673 ( -1.333 -4.026 -1.358) 4.454 5.781 ( 3.110 -6.356 -8.776) 11.273 6.196 ( -7.465 -3.188 -0.512) 8.134 6.401 ( 2.488 -1.751 1.476) 3.381 6.670 ( -8.344 -6.607 5.623) 12.038 6.830 ( 5.239 2.920 -4.818) 7.693 6.920 ( 2.605 17.909 -5.063) 18.792 7.045 ( 3.207 8.917 -5.191) 10.805 7.266 ( 2.176 3.436 -4.179) 5.832 7.429 ( 8.542 1.783 -0.298) 8.731 7.799 ( -3.660 1.777 -1.751) 4.429 7.964 ( 5.921 -1.649 -6.284) 8.790 8.219 ( -2.218 -5.804 -2.388) 6.656 8.478 ( 1.998 -2.638 0.770) 3.398 8.576 ( -6.833 1.582 -2.385) 7.408 8.800 ( 3.057 -7.896 7.646) 11.409 9.048 ( 0.913 2.885 2.635) 4.012 9.274 ( -1.232 -1.817 -4.858) 5.331 10.040 ( 6.713 -3.980 -11.381) 13.800 10.582 ( 1.744 2.442 -11.269) 11.662 12.321 ( -0.474 -5.061 -1.736) 5.372 12.675 ( -0.797 0.155 -6.558) 6.608 12.987 ( -1.153 0.610 -3.188) 3.444 13.202 ( 4.553 5.127 -1.202) 6.961 13.320 ( -2.288 -0.721 -0.112) 2.402 13.542 ( 4.433 -3.680 -3.571) 6.779 13.866 ( 0.854 -4.363 5.083) 6.753 14.149 ( -0.739 -4.988 0.251) 5.049 14.715 ( -4.284 5.985 9.759) 12.223 15.522 ( -0.628 1.352 -5.279) 5.485 16.759 ( -2.390 -0.398 9.852) 10.146 17.130 ( 2.107 5.050 20.677) 21.389 17.770 ( 7.185 -3.186 -4.312) 8.965 18.131 ( -3.096 2.419 -2.980) 4.931 18.536 ( 0.161 0.473 -0.537) 0.734 18.626 ( -1.524 0.180 0.157) 1.543 18.694 ( 3.318 -3.437 -5.590) 7.353 19.434 ( -2.368 2.489 -12.280) 12.752 20.178 ( -7.889 -2.237 15.452) 17.493 20.686 ( -5.939 17.600 20.811) 27.895 21.510 ( 1.036 -0.339 -2.277) 2.525 22.017 ( 2.959 -1.215 -1.439) 3.508 22.048 ( 1.894 -1.453 -0.066) 2.388 22.886 ( -2.246 2.452 -6.316) 7.138 23.486 ( 2.357 1.600 2.401) 3.725 23.791 ( 2.942 -2.923 0.084) 4.148 24.154 ( 6.224 -12.391 -3.808) 14.379 24.277 ( -4.986 1.526 -8.182) 9.702 ======================= Grid point 140 (70/128) ======================= q-point: (-0.29 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -14.599 -0.000 18.435) 23.516 1.408 ( -15.541 -0.000 10.777) 18.912 1.623 ( 11.747 0.000 8.376) 14.428 2.018 ( 1.805 0.000 5.371) 5.666 2.256 ( -9.684 -0.000 24.984) 26.796 2.465 ( -6.744 -0.000 3.935) 7.808 2.482 ( -3.145 -0.000 -0.194) 3.151 2.812 ( -4.934 -0.000 15.866) 16.615 3.040 ( 8.016 0.000 0.989) 8.077 3.338 ( -7.132 -0.000 -0.155) 7.134 3.343 ( -0.814 -0.000 -2.467) 2.598 3.545 ( 1.722 0.000 16.664) 16.753 3.638 ( -3.045 -0.000 -2.714) 4.079 3.768 ( 3.422 0.000 -5.264) 6.278 3.933 ( 1.862 0.000 -4.522) 4.890 3.972 ( -6.177 -0.000 20.250) 21.172 4.141 ( 0.463 0.000 -2.455) 2.498 4.197 ( -2.106 -0.000 -2.590) 3.338 4.453 ( -8.799 -0.000 25.379) 26.861 4.958 ( -7.449 -0.000 19.262) 20.652 4.975 ( 2.717 0.000 -7.958) 8.409 5.096 ( -0.580 -0.000 -10.689) 10.705 5.464 ( 3.760 0.000 -4.587) 5.931 5.465 ( 5.444 0.000 6.386) 8.391 5.514 ( -2.425 -0.000 11.435) 11.689 5.787 ( -4.454 -0.000 -5.166) 6.821 6.039 ( -6.167 -0.000 4.123) 7.418 6.335 ( 1.149 0.000 0.266) 1.180 6.601 ( -8.561 -0.000 12.317) 15.000 6.831 ( 5.133 0.000 -7.482) 9.073 7.147 ( 4.563 0.000 -10.246) 11.216 7.224 ( 2.575 0.000 -5.913) 6.450 7.490 ( 6.122 0.000 1.136) 6.227 7.533 ( 10.800 0.000 6.192) 12.449 7.867 ( 3.948 0.000 -0.238) 3.956 7.876 ( -1.576 -0.000 -9.159) 9.294 8.153 ( 1.956 0.000 -7.744) 7.987 8.412 ( -9.013 -0.000 7.745) 11.884 8.451 ( 0.013 0.000 4.030) 4.030 8.704 ( -1.419 -0.000 0.422) 1.481 9.143 ( 3.617 0.000 -10.273) 10.891 9.169 ( -3.559 -0.000 10.296) 10.893 9.968 ( 7.330 0.000 -13.242) 15.136 10.620 ( 1.780 0.000 -10.829) 10.974 12.242 ( -1.616 -0.000 -2.061) 2.618 12.664 ( -3.346 -0.000 -7.709) 8.404 13.018 ( 1.498 0.000 -1.343) 2.012 13.310 ( -3.582 -0.000 -0.138) 3.584 13.360 ( 2.177 0.000 2.284) 3.155 13.389 ( 9.743 0.000 -6.030) 11.457 13.805 ( -0.578 -0.000 4.987) 5.021 14.039 ( -1.885 -0.000 -1.342) 2.314 14.821 ( -4.215 -0.000 9.250) 10.165 15.543 ( -2.797 -0.000 -3.112) 4.184 16.752 ( -2.364 -0.000 9.528) 9.817 17.237 ( 10.655 0.000 22.801) 25.168 17.701 ( 3.243 0.000 -6.006) 6.826 18.182 ( 0.390 0.000 -4.636) 4.652 18.545 ( 0.299 0.000 -0.210) 0.366 18.605 ( 0.892 0.000 -7.364) 7.418 18.648 ( -1.005 -0.000 3.685) 3.819 19.470 ( -3.540 -0.000 -14.120) 14.557 20.141 ( -7.999 -0.000 15.007) 17.006 21.349 ( 7.584 0.000 13.310) 15.319 21.420 ( 2.402 0.000 -2.361) 3.368 21.736 ( -2.403 -0.000 -3.406) 4.168 22.127 ( -0.812 -0.000 7.174) 7.219 22.961 ( -2.095 -0.000 -6.951) 7.259 23.565 ( 0.481 0.000 -0.543) 0.725 23.697 ( 6.172 0.000 -0.864) 6.233 23.820 ( -1.348 -0.000 2.761) 3.072 24.291 ( -4.518 -0.000 -8.128) 9.300 ======================= Grid point 141 (71/128) ======================= q-point: (-0.14 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -12.803 -8.875 12.762) 20.139 1.295 ( -14.357 -11.021 16.373) 24.406 1.803 ( 18.340 2.178 6.880) 19.708 2.070 ( 0.976 -2.403 4.642) 5.318 2.278 ( -1.819 -3.148 26.721) 26.968 2.414 ( -9.364 -5.580 7.015) 12.963 2.587 ( -0.597 -8.548 5.459) 10.160 2.784 ( -1.716 3.954 12.647) 13.362 3.151 ( 3.847 -4.303 0.466) 5.791 3.183 ( -6.808 7.162 -5.052) 11.098 3.285 ( -3.583 2.666 2.717) 5.227 3.519 ( -4.438 4.984 -1.943) 6.950 3.609 ( 0.969 0.780 5.803) 5.935 3.787 ( -1.526 -0.504 2.886) 3.303 3.981 ( 1.658 1.421 10.223) 10.453 3.985 ( -2.393 3.673 1.274) 4.565 4.111 ( 3.433 -9.001 -1.986) 9.836 4.244 ( -6.115 -7.407 -1.259) 9.687 4.447 ( -0.379 4.235 20.221) 20.664 4.857 ( -4.856 7.078 13.583) 16.068 5.006 ( -0.746 0.334 0.998) 1.290 5.032 ( -4.080 0.152 -0.377) 4.100 5.392 ( 3.900 8.388 6.194) 11.132 5.509 ( -0.532 -1.114 -3.001) 3.245 5.593 ( -4.749 -1.480 3.374) 6.011 5.702 ( -4.082 -3.290 -3.269) 6.179 6.036 ( -8.228 -8.147 3.381) 12.063 6.381 ( 1.955 -2.671 -1.750) 3.744 6.584 ( -2.635 -0.401 12.244) 12.531 6.882 ( 6.134 -0.532 -3.539) 7.102 7.132 ( 6.516 6.120 -10.485) 13.778 7.199 ( 2.889 5.459 -6.536) 8.993 7.397 ( -1.062 11.292 0.388) 11.348 7.608 ( 11.815 8.429 0.606) 14.527 7.782 ( -4.945 3.609 -5.315) 8.107 7.979 ( 7.506 -4.576 -1.223) 8.875 8.133 ( -1.445 -0.345 -2.303) 2.741 8.395 ( -6.100 -6.432 -0.024) 8.865 8.507 ( -1.985 -3.129 0.627) 3.758 8.746 ( 2.777 -5.976 5.823) 8.794 9.102 ( 0.185 2.570 0.177) 2.583 9.201 ( -2.550 -3.235 -2.974) 5.081 10.037 ( 8.106 -2.452 -11.385) 14.190 10.594 ( 1.034 1.320 -11.695) 11.815 12.271 ( 2.929 -2.594 3.382) 5.172 12.626 ( -1.744 -1.372 -7.622) 7.939 13.006 ( 0.540 2.490 -2.119) 3.314 13.263 ( -3.561 -0.753 -2.679) 4.519 13.338 ( 4.157 4.919 1.850) 6.701 13.540 ( 7.746 -3.594 -3.305) 9.157 13.824 ( -0.556 -2.664 4.100) 4.921 14.061 ( -0.726 -5.087 -0.459) 5.159 14.761 ( -6.306 3.711 8.649) 11.329 15.504 ( -2.117 0.025 -4.078) 4.595 16.754 ( -2.620 -0.243 9.531) 9.887 17.359 ( 10.422 8.734 20.874) 24.912 17.770 ( 6.228 -4.678 -4.065) 8.786 18.150 ( 0.274 2.750 -3.407) 4.387 18.545 ( 0.324 0.406 -0.269) 0.586 18.597 ( -1.661 -1.474 -6.553) 6.919 18.653 ( -1.207 -1.601 0.277) 2.024 19.365 ( -7.887 0.135 -13.191) 15.370 20.117 ( -6.253 -1.209 15.669) 16.914 21.057 ( -1.501 29.541 16.823) 34.028 21.499 ( -0.205 -0.596 -1.331) 1.473 21.930 ( 7.561 -14.560 -6.362) 17.596 22.107 ( -0.906 3.637 6.728) 7.702 22.871 ( -4.925 2.851 -6.998) 9.020 23.554 ( 2.563 2.200 0.553) 3.422 23.786 ( 5.179 -2.811 0.289) 5.900 23.960 ( 1.821 -16.243 -2.800) 16.583 24.218 ( -4.796 0.396 -7.394) 8.822 ======================= Grid point 148 (72/128) ======================= q-point: (-0.14 -0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -7.924 -0.000 24.473) 25.724 1.075 ( -15.126 -0.000 21.117) 25.976 1.992 ( 6.497 0.000 18.746) 19.840 2.061 ( -0.270 -0.000 4.588) 4.596 2.233 ( 0.713 0.000 26.705) 26.715 2.436 ( -2.735 -0.000 4.021) 4.863 2.548 ( 6.946 0.000 2.443) 7.363 2.858 ( 1.207 0.000 17.557) 17.598 3.147 ( 3.125 0.000 -6.257) 6.994 3.210 ( -3.998 -0.000 -2.959) 4.974 3.217 ( -7.352 -0.000 -2.734) 7.844 3.516 ( -3.029 -0.000 -4.172) 5.155 3.577 ( -8.778 -0.000 17.016) 19.147 3.857 ( -7.603 -0.000 -6.943) 10.296 3.931 ( 8.545 0.000 3.455) 9.217 4.002 ( -0.290 -0.000 -2.889) 2.904 4.099 ( -0.603 -0.000 13.095) 13.109 4.114 ( -1.582 -0.000 -2.120) 2.646 4.610 ( 8.008 0.000 19.772) 21.332 4.887 ( -8.887 -0.000 18.886) 20.872 4.940 ( -3.273 -0.000 -16.307) 16.632 5.037 ( 7.031 0.000 -6.012) 9.251 5.441 ( -5.090 -0.000 6.460) 8.224 5.496 ( -15.843 -0.000 -0.552) 15.852 5.559 ( 3.253 0.000 -1.679) 3.661 5.657 ( 1.788 0.000 11.721) 11.857 5.845 ( -11.627 -0.000 2.732) 11.943 6.386 ( 2.935 0.000 -1.179) 3.163 6.615 ( 0.389 0.000 13.311) 13.316 6.937 ( 7.249 0.000 -3.874) 8.219 7.211 ( 6.127 0.000 -10.384) 12.057 7.254 ( 4.068 0.000 -7.548) 8.575 7.465 ( -1.673 -0.000 -6.219) 6.440 7.744 ( -4.488 -0.000 -9.580) 10.579 7.844 ( 8.986 0.000 2.213) 9.254 8.020 ( 9.461 0.000 2.849) 9.881 8.176 ( 2.206 0.000 -5.901) 6.299 8.195 ( -13.442 -0.000 5.281) 14.443 8.458 ( -0.586 -0.000 2.190) 2.267 8.725 ( 1.405 0.000 5.289) 5.473 9.123 ( 0.953 0.000 -13.128) 13.162 9.125 ( -5.718 -0.000 9.708) 11.266 10.075 ( 8.169 0.000 -9.602) 12.607 10.578 ( 0.442 0.000 -12.751) 12.759 12.344 ( 11.365 0.000 8.298) 14.072 12.579 ( -0.601 -0.000 -6.684) 6.711 13.035 ( 1.090 0.000 -1.604) 1.939 13.204 ( -2.987 -0.000 -3.043) 4.264 13.440 ( 3.348 0.000 4.394) 5.524 13.584 ( 9.177 0.000 -5.596) 10.748 13.802 ( -2.197 -0.000 4.113) 4.663 14.000 ( -1.110 -0.000 -0.811) 1.375 14.737 ( -8.038 -0.000 7.663) 11.106 15.467 ( -2.343 -0.000 -3.578) 4.276 16.750 ( -2.749 -0.000 9.392) 9.786 17.680 ( 17.926 0.000 17.701) 25.192 17.746 ( 3.774 0.000 -5.953) 7.049 18.173 ( 1.084 0.000 -3.782) 3.935 18.508 ( -7.215 -0.000 -8.846) 11.415 18.553 ( 0.509 0.000 0.127) 0.525 18.631 ( -2.221 -0.000 2.951) 3.694 19.226 ( -10.373 -0.000 -10.301) 14.619 20.103 ( -2.874 -0.000 15.871) 16.129 21.447 ( 1.140 0.000 -2.454) 2.706 21.605 ( 9.078 0.000 7.480) 11.763 21.681 ( -0.936 -0.000 -2.499) 2.668 22.145 ( -1.115 -0.000 6.352) 6.449 22.810 ( -7.947 -0.000 -7.784) 11.124 23.583 ( 1.524 0.000 -0.538) 1.616 23.796 ( -2.299 -0.000 2.688) 3.537 23.829 ( 5.777 0.000 -0.916) 5.849 24.155 ( -3.595 -0.000 -6.700) 7.604 ======================= Grid point 149 (73/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.446 0.000 23.727) 23.731 1.574 ( -1.310 -0.000 21.577) 21.617 2.091 ( -2.517 -0.000 0.363) 2.543 2.403 ( 11.216 0.000 -0.187) 11.218 2.465 ( -0.112 -0.000 0.143) 0.182 2.546 ( 1.215 0.000 -5.402) 5.537 2.775 ( -11.527 -0.000 -8.741) 14.466 2.946 ( -2.418 -0.000 -10.670) 10.941 3.062 ( -3.757 -0.000 3.025) 4.824 3.167 ( 1.353 0.000 30.261) 30.292 3.382 ( -7.606 -0.000 1.949) 7.851 3.432 ( 0.793 0.000 -1.748) 1.919 3.482 ( -2.976 -0.000 11.495) 11.874 3.841 ( 0.283 0.000 2.260) 2.277 3.919 ( -3.421 -0.000 18.500) 18.814 4.015 ( 1.988 0.000 -4.801) 5.196 4.225 ( -0.106 -0.000 7.430) 7.431 4.534 ( 11.116 0.000 2.276) 11.346 4.572 ( 1.306 0.000 -11.217) 11.293 4.931 ( -0.893 -0.000 10.687) 10.724 4.993 ( 10.303 0.000 -12.927) 16.531 5.117 ( -11.067 -0.000 13.082) 17.135 5.463 ( -4.651 -0.000 -3.785) 5.996 5.469 ( -0.204 -0.000 12.540) 12.541 5.614 ( -6.378 -0.000 17.128) 18.277 5.745 ( 1.995 0.000 -1.125) 2.290 6.243 ( -5.162 -0.000 28.600) 29.062 6.378 ( 2.803 0.000 -4.977) 5.712 6.665 ( -17.664 -0.000 2.230) 17.804 6.762 ( 3.260 0.000 -19.672) 19.940 7.000 ( 5.827 0.000 -15.814) 16.853 7.158 ( 2.633 0.000 -3.623) 4.479 7.269 ( 2.807 0.000 -5.195) 5.905 7.532 ( 3.104 0.000 -6.625) 7.316 7.896 ( -4.810 -0.000 2.234) 5.304 8.074 ( -4.835 -0.000 5.687) 7.465 8.113 ( -1.758 -0.000 -2.007) 2.668 8.354 ( 7.261 0.000 3.636) 8.121 8.393 ( 1.040 0.000 -5.050) 5.156 8.781 ( 1.901 0.000 -13.445) 13.578 8.936 ( -3.446 -0.000 12.535) 13.000 9.357 ( -0.988 -0.000 13.303) 13.340 10.003 ( 8.717 0.000 -11.074) 14.093 10.154 ( -2.045 -0.000 -18.846) 18.956 12.494 ( 3.641 0.000 -2.406) 4.364 12.630 ( 4.364 0.000 -4.159) 6.029 13.047 ( 1.170 0.000 0.535) 1.286 13.168 ( 2.289 0.000 -3.285) 4.003 13.609 ( 4.942 0.000 -1.307) 5.112 13.612 ( 1.860 0.000 2.344) 2.993 13.812 ( -4.136 -0.000 3.036) 5.130 13.968 ( 0.478 0.000 -1.441) 1.519 14.778 ( -5.833 -0.000 9.259) 10.943 15.314 ( 1.178 0.000 -6.961) 7.060 16.960 ( -2.720 -0.000 11.858) 12.166 17.629 ( 2.460 0.000 -8.794) 9.132 17.797 ( -18.467 -0.000 6.222) 19.487 18.131 ( 5.132 0.000 -3.938) 6.469 18.497 ( 7.188 0.000 -0.402) 7.199 18.545 ( -1.318 -0.000 -0.959) 1.630 18.669 ( -2.622 -0.000 4.487) 5.197 19.005 ( 4.304 0.000 -5.663) 7.113 20.528 ( 0.816 0.000 17.757) 17.775 21.325 ( -0.841 -0.000 -7.439) 7.487 21.652 ( -7.356 -0.000 0.322) 7.363 21.668 ( 2.907 0.000 -0.365) 2.929 22.281 ( -2.348 -0.000 7.213) 7.586 22.625 ( 1.851 0.000 -3.122) 3.630 23.615 ( 2.597 0.000 -0.095) 2.599 23.743 ( -5.184 -0.000 -4.184) 6.662 23.817 ( -3.315 -0.000 3.536) 4.847 24.072 ( 6.923 0.000 -4.620) 8.323 ======================= Grid point 150 (74/128) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 2.839 -0.383 17.194) 17.431 1.749 ( 0.770 -11.850 19.248) 22.617 2.044 ( -5.449 1.667 0.175) 5.701 2.382 ( -2.150 7.773 0.177) 8.066 2.453 ( 4.164 3.529 -3.105) 6.279 2.551 ( -7.843 0.290 -5.905) 9.822 2.652 ( -2.831 -2.648 -1.822) 4.284 2.855 ( 1.277 6.803 -8.712) 11.127 2.973 ( -0.737 1.989 5.853) 6.225 3.279 ( -1.021 0.323 0.160) 1.083 3.378 ( -6.995 -12.320 18.607) 23.387 3.503 ( 3.163 -4.943 -0.301) 5.877 3.554 ( 0.136 -3.515 14.817) 15.229 3.794 ( 1.217 6.702 3.649) 7.727 3.927 ( -0.748 2.028 11.214) 11.421 4.013 ( 1.945 0.645 4.984) 5.389 4.314 ( -2.132 -8.597 3.711) 9.603 4.504 ( 4.549 0.961 -3.072) 5.572 4.769 ( 4.938 -8.812 6.166) 11.835 4.904 ( -7.861 5.578 5.447) 11.072 5.004 ( 3.505 -2.740 -1.316) 4.639 5.178 ( 1.433 -7.779 -0.408) 7.920 5.311 ( -7.212 8.143 2.208) 11.100 5.547 ( -3.127 -1.341 10.386) 10.929 5.570 ( 7.501 2.880 9.856) 12.716 5.845 ( 1.597 -5.720 -0.469) 5.957 6.236 ( -5.607 1.988 23.114) 23.868 6.386 ( -1.103 0.390 1.503) 1.905 6.478 ( -17.672 -0.858 0.729) 17.708 6.740 ( 3.136 0.862 -18.964) 19.241 7.003 ( -0.060 -0.239 -10.782) 10.785 7.094 ( 5.045 10.490 -4.258) 12.395 7.248 ( 4.869 4.640 -8.049) 10.489 7.510 ( 0.426 3.498 -4.364) 5.609 7.843 ( -3.017 0.604 0.349) 3.097 7.966 ( -2.877 6.269 3.630) 7.795 8.173 ( -3.050 -6.817 -0.218) 7.472 8.388 ( 3.332 -0.435 1.508) 3.683 8.464 ( 5.837 -1.257 -2.213) 6.368 8.778 ( 1.728 -1.804 -11.912) 12.171 8.992 ( -5.309 -7.811 10.453) 14.088 9.366 ( -0.410 2.907 13.206) 13.528 10.032 ( 0.889 0.888 -9.862) 9.942 10.113 ( 4.764 -1.761 -19.972) 20.608 12.523 ( 4.072 1.027 -2.133) 4.711 12.633 ( 2.267 1.741 -6.338) 6.953 13.044 ( 1.896 1.756 0.930) 2.746 13.133 ( -2.422 3.375 -5.098) 6.576 13.580 ( -0.602 6.811 0.134) 6.838 13.602 ( 1.065 1.939 -0.286) 2.230 13.846 ( -0.234 -6.277 4.252) 7.585 14.058 ( 1.059 -8.772 -1.954) 9.049 14.746 ( -3.202 1.257 10.400) 10.954 15.312 ( 3.160 0.700 -7.228) 7.920 16.968 ( -2.335 -0.205 12.005) 12.231 17.566 ( -13.386 4.006 4.699) 14.741 17.653 ( -2.039 -1.155 -2.489) 3.419 18.163 ( 2.888 1.470 -2.778) 4.268 18.520 ( -1.765 0.229 -1.337) 2.226 18.564 ( 4.640 -0.587 -2.583) 5.343 18.669 ( -1.408 -1.412 4.278) 4.720 19.064 ( 6.587 -1.570 -6.597) 9.454 20.588 ( 0.296 -0.338 17.667) 17.673 21.302 ( -0.928 -0.243 -7.390) 7.452 21.339 ( -5.630 17.929 9.879) 21.231 21.825 ( -0.291 -7.243 -7.118) 10.159 22.256 ( -2.162 2.522 7.272) 7.994 22.657 ( 4.158 -0.778 -4.009) 5.828 23.659 ( -2.022 1.362 -0.407) 2.472 23.684 ( -1.114 -3.971 -1.603) 4.425 23.848 ( -3.227 -7.123 0.633) 7.846 24.143 ( 7.075 -1.146 -5.049) 8.767 ======================= Grid point 151 (75/128) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.713 2.708 12.584) 13.707 1.808 ( -11.911 6.100 2.242) 13.569 2.006 ( -5.394 -3.462 2.753) 6.975 2.262 ( -3.947 -2.510 5.045) 6.880 2.437 ( 0.194 0.889 -2.772) 2.918 2.477 ( 3.717 2.882 1.569) 4.958 2.641 ( -1.023 5.043 1.465) 5.350 2.792 ( 2.591 -0.582 -5.585) 6.184 3.035 ( 5.427 -3.350 6.094) 8.820 3.281 ( 0.123 -0.901 -6.855) 6.915 3.439 ( -8.388 -5.022 1.682) 9.920 3.581 ( 1.460 1.537 0.214) 2.130 3.701 ( -1.804 -7.667 14.714) 16.689 3.758 ( 1.941 0.176 9.295) 9.497 3.917 ( 0.972 -2.555 6.638) 7.179 4.096 ( 2.070 -2.160 18.592) 18.831 4.446 ( -0.502 -9.766 1.305) 9.866 4.562 ( 2.106 -1.879 3.855) 4.778 4.732 ( -6.334 7.501 6.153) 11.586 4.938 ( 0.044 -5.980 16.543) 17.591 4.989 ( -12.303 15.075 4.469) 19.965 5.103 ( 0.183 -5.836 -4.259) 7.227 5.379 ( 1.620 -8.245 0.694) 8.431 5.552 ( 5.255 0.279 -0.157) 5.265 5.687 ( 11.464 1.888 7.392) 13.771 5.889 ( -4.809 -2.943 -2.648) 6.229 6.195 ( -5.660 0.707 2.351) 6.169 6.320 ( -14.153 -2.761 23.519) 27.588 6.427 ( -1.457 -3.043 0.806) 3.469 6.674 ( 5.589 7.974 -16.761) 19.385 6.935 ( -2.740 2.245 -4.117) 5.431 6.985 ( 1.648 6.633 -4.352) 8.103 7.215 ( 7.923 5.968 -11.595) 15.259 7.439 ( -1.211 2.311 -2.238) 3.437 7.810 ( -4.192 -0.282 -3.344) 5.370 7.867 ( 2.031 6.056 2.590) 6.893 8.230 ( -2.974 -5.025 -2.055) 6.190 8.450 ( 2.616 -2.060 -0.430) 3.358 8.517 ( 4.483 0.648 0.900) 4.618 8.810 ( 2.452 -3.401 -10.615) 11.413 9.079 ( -6.281 -7.579 7.033) 12.098 9.334 ( -0.483 5.008 12.709) 13.668 9.985 ( -0.776 0.044 -11.735) 11.760 10.162 ( 6.408 -2.162 -16.155) 17.514 12.524 ( 3.225 3.363 -1.945) 5.050 12.606 ( 1.244 1.537 -6.731) 7.015 13.007 ( -4.944 3.070 -5.532) 8.030 13.060 ( 3.485 2.176 1.803) 4.487 13.445 ( -4.833 4.817 -0.664) 6.855 13.596 ( 1.925 1.987 -0.714) 2.857 13.957 ( 0.286 -5.761 4.479) 7.303 14.187 ( 0.423 -6.712 -1.708) 6.939 14.734 ( -1.678 0.606 10.827) 10.973 15.318 ( 4.265 0.826 -7.838) 8.961 16.982 ( -2.110 -0.170 11.864) 12.052 17.402 ( -11.847 1.691 11.615) 16.677 17.671 ( 1.893 -1.748 -5.238) 5.837 18.134 ( 0.786 3.442 -1.699) 3.918 18.498 ( -1.353 -0.234 -1.717) 2.199 18.593 ( 1.703 0.050 -2.982) 3.435 18.702 ( -0.221 -2.123 3.284) 3.917 19.135 ( 5.956 -1.472 -7.982) 10.067 20.626 ( -2.357 0.783 17.577) 17.751 21.064 ( -5.256 13.062 15.987) 21.304 21.313 ( 0.953 -2.548 -7.646) 8.116 21.862 ( 0.606 -1.578 -10.387) 10.524 22.209 ( -2.104 3.137 7.780) 8.649 22.698 ( 4.382 -0.138 -6.121) 7.529 23.593 ( -4.606 0.963 1.577) 4.963 23.756 ( 2.369 -2.871 -0.036) 3.723 23.940 ( -3.553 -8.995 -3.055) 10.142 24.217 ( 6.272 -0.862 -5.265) 8.234 ======================= Grid point 152 (76/128) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -12.964 4.202 2.678) 13.889 1.760 ( 10.148 4.526 8.780) 14.162 1.938 ( -2.867 3.016 -0.442) 4.185 2.309 ( -3.017 -0.733 0.938) 3.243 2.397 ( 0.913 2.824 6.796) 7.416 2.485 ( 0.458 3.933 6.472) 7.587 2.650 ( 2.093 -7.113 -2.573) 7.848 2.828 ( -1.234 -3.964 -2.461) 4.827 3.175 ( 4.255 -4.584 1.512) 6.434 3.253 ( 1.450 2.843 -5.325) 6.208 3.413 ( -3.075 -2.134 -6.105) 7.161 3.549 ( -0.455 1.689 0.267) 1.770 3.744 ( -6.692 -1.010 16.401) 17.742 3.858 ( -1.102 -6.298 7.295) 9.700 4.055 ( 1.953 -6.802 7.580) 10.370 4.166 ( 1.622 4.680 19.507) 20.126 4.519 ( -6.290 16.466 11.014) 20.784 4.574 ( -6.099 -2.996 9.866) 11.980 4.651 ( 4.161 -0.536 4.551) 6.190 4.674 ( -4.704 0.164 -5.844) 7.504 5.050 ( -1.776 -4.391 18.477) 19.075 5.172 ( -2.116 -5.444 0.830) 5.899 5.397 ( -4.271 5.024 12.959) 14.540 5.643 ( 4.463 -1.176 -14.032) 14.772 5.727 ( 3.156 2.931 -1.611) 4.598 5.908 ( -2.418 -4.237 7.700) 9.115 6.153 ( -2.784 -5.679 -7.783) 10.029 6.333 ( -5.242 -2.182 20.160) 20.945 6.485 ( 0.787 -1.826 1.945) 2.781 6.592 ( 7.519 1.994 -9.073) 11.951 6.853 ( -6.294 2.208 -6.020) 8.985 6.933 ( 3.508 1.480 -0.891) 3.910 7.156 ( 2.787 4.349 -6.456) 8.268 7.416 ( 1.666 1.378 -3.397) 4.026 7.726 ( -7.682 0.900 -1.335) 7.849 7.863 ( 6.947 1.373 -3.721) 8.000 8.251 ( -1.739 -2.039 -3.126) 4.117 8.469 ( 2.081 1.673 -3.634) 4.510 8.561 ( 1.027 -1.148 3.930) 4.221 8.861 ( 3.574 -2.546 -11.923) 12.705 9.122 ( -5.204 -3.695 6.330) 8.989 9.286 ( -0.713 4.180 11.541) 12.295 9.957 ( 1.508 0.419 -10.100) 10.221 10.212 ( 4.547 -2.445 -15.207) 16.059 12.486 ( 2.607 4.694 -0.160) 5.371 12.571 ( -0.617 1.276 -7.186) 7.325 12.908 ( -2.870 1.776 -4.445) 5.581 13.091 ( 3.232 -0.786 1.439) 3.624 13.349 ( -3.323 1.807 -0.888) 3.886 13.575 ( 0.835 1.999 -1.345) 2.551 14.036 ( 0.321 -2.123 4.476) 4.964 14.245 ( -0.157 -1.105 -0.488) 1.218 14.753 ( -2.418 -1.944 10.044) 10.512 15.332 ( 3.735 0.089 -8.429) 9.220 16.989 ( -2.632 0.271 11.534) 11.834 17.345 ( -5.751 -2.033 12.665) 14.057 17.710 ( 1.764 -2.424 -4.523) 5.426 18.087 ( 1.667 3.169 -1.512) 3.886 18.489 ( -0.868 -0.630 -1.998) 2.267 18.588 ( 0.143 0.596 -3.043) 3.105 18.730 ( -0.993 -0.940 3.324) 3.595 19.181 ( 4.031 -0.461 -9.072) 9.938 20.603 ( -5.659 2.913 17.587) 18.704 20.928 ( -3.211 5.096 17.907) 18.893 21.355 ( 1.337 -3.622 -7.036) 8.026 21.858 ( 2.431 -0.535 -12.022) 12.277 22.169 ( -2.275 1.789 8.453) 8.935 22.715 ( 3.089 0.494 -7.772) 8.378 23.553 ( -2.723 0.063 3.688) 4.585 23.815 ( 3.049 -1.130 0.152) 3.255 24.011 ( -3.644 -6.434 -4.961) 8.904 24.259 ( 4.781 1.531 -5.406) 7.378 ======================= Grid point 153 (77/128) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -5.669 -1.618 10.675) 12.195 1.831 ( 12.755 6.972 6.649) 15.984 1.912 ( 3.954 -1.457 -0.997) 4.330 2.232 ( 1.249 8.348 8.773) 12.174 2.426 ( -2.355 4.090 4.700) 6.661 2.447 ( -3.219 -8.189 -1.573) 8.938 2.758 ( -1.584 -7.192 -4.173) 8.464 2.878 ( -2.735 -5.498 1.338) 6.284 3.151 ( -3.923 3.504 -8.253) 9.787 3.289 ( 0.467 -2.647 0.333) 2.708 3.400 ( 2.085 3.793 -1.751) 4.669 3.545 ( -1.774 -4.733 -1.809) 5.369 3.715 ( -8.149 2.536 21.027) 22.693 3.904 ( -3.908 2.351 10.973) 11.883 4.020 ( -0.782 16.443 16.769) 23.499 4.162 ( 2.313 -1.045 0.819) 2.667 4.245 ( -4.226 5.090 6.579) 9.330 4.565 ( -0.848 2.965 7.765) 8.355 4.666 ( -0.880 1.627 -1.702) 2.513 4.769 ( 0.686 -5.879 8.437) 10.306 5.171 ( 1.999 -5.431 10.318) 11.830 5.245 ( -3.832 -6.952 6.558) 10.297 5.290 ( -6.895 3.756 15.854) 17.692 5.536 ( 1.263 11.763 -15.326) 19.361 5.671 ( -6.658 0.358 -0.502) 6.686 5.949 ( 2.348 1.191 13.784) 14.033 6.314 ( -6.751 -7.248 8.883) 13.305 6.355 ( 4.964 -4.301 -4.306) 7.853 6.477 ( 4.240 1.586 -9.312) 10.353 6.669 ( -2.619 -6.094 -3.611) 7.552 6.827 ( 4.014 -4.664 -2.318) 6.576 6.966 ( 3.171 -0.605 1.164) 3.432 7.144 ( -0.663 -3.168 -2.859) 4.318 7.392 ( 1.033 0.995 -4.952) 5.155 7.644 ( -5.336 -0.101 -0.008) 5.337 7.928 ( 6.557 -1.541 -5.151) 8.479 8.241 ( 0.788 1.783 -1.299) 2.343 8.448 ( -0.290 0.882 -2.559) 2.722 8.566 ( -1.567 1.439 0.947) 2.328 8.880 ( 3.346 0.171 -14.401) 14.786 9.120 ( -0.902 2.395 9.339) 9.684 9.273 ( -2.367 -0.808 9.215) 9.549 9.939 ( 4.052 2.485 -9.187) 10.344 10.246 ( 2.555 -2.508 -15.314) 15.727 12.451 ( 3.045 3.661 2.485) 5.371 12.521 ( -1.345 1.044 -6.745) 6.957 12.874 ( -0.540 -0.920 -3.053) 3.234 13.155 ( 2.191 -3.255 -0.481) 3.953 13.313 ( -0.204 0.427 -0.292) 0.556 13.557 ( 1.033 0.863 -1.056) 1.711 14.043 ( -0.018 3.145 4.365) 5.380 14.223 ( 0.183 3.425 -0.107) 3.432 14.789 ( -4.472 -3.832 8.952) 10.716 15.343 ( 1.700 -0.764 -8.696) 8.893 16.982 ( -3.300 0.594 11.406) 11.889 17.405 ( 0.137 -5.076 9.970) 11.188 17.747 ( -1.181 -3.181 -2.679) 4.323 18.082 ( 6.244 1.880 -1.980) 6.815 18.481 ( -1.756 -0.575 -2.840) 3.388 18.565 ( -0.164 1.126 -2.367) 2.626 18.729 ( -2.167 0.076 4.213) 4.738 19.176 ( 1.389 1.629 -9.520) 9.758 20.535 ( -5.914 3.655 17.796) 19.106 20.936 ( -2.797 -3.780 18.138) 18.738 21.396 ( 0.091 -2.671 -6.409) 6.944 21.872 ( 4.671 -0.771 -12.831) 13.676 22.163 ( -2.342 -1.234 8.998) 9.379 22.706 ( 1.051 0.589 -7.830) 7.923 23.554 ( -0.276 -0.839 3.850) 3.950 23.851 ( 3.150 0.834 -0.316) 3.274 24.034 ( -2.712 -3.097 -5.667) 7.004 24.227 ( 2.491 6.069 -5.451) 8.530 ======================= Grid point 154 (78/128) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.132 1.124 19.142) 19.209 1.824 ( 4.047 8.902 10.255) 14.170 2.049 ( 10.778 -3.641 -0.656) 11.395 2.150 ( 1.948 6.021 6.621) 9.159 2.362 ( -3.153 -0.073 -0.391) 3.178 2.570 ( 0.186 -10.158 -0.349) 10.166 2.833 ( -4.113 -7.825 -2.771) 9.265 2.925 ( -3.191 -1.045 1.920) 3.868 2.981 ( -7.719 3.403 -8.644) 12.078 3.311 ( 4.531 1.348 -1.150) 4.865 3.338 ( -0.698 4.992 8.127) 9.563 3.535 ( -7.412 10.294 21.080) 24.602 3.664 ( -0.980 -5.338 -0.241) 5.432 3.812 ( -5.550 -0.869 8.538) 10.221 3.957 ( -3.275 1.420 9.997) 10.615 4.098 ( -0.040 7.623 -3.996) 8.607 4.253 ( 1.492 -0.478 6.974) 7.148 4.458 ( -0.347 10.820 5.830) 12.295 4.645 ( 1.440 1.146 5.576) 5.872 4.866 ( 0.923 -3.312 4.800) 5.905 5.128 ( -0.774 9.983 -2.027) 10.216 5.287 ( -0.445 5.425 5.487) 7.728 5.350 ( -2.702 -7.403 7.095) 10.604 5.391 ( -5.289 -5.843 2.230) 8.191 5.609 ( -4.991 0.257 4.455) 6.695 6.004 ( -0.122 0.287 13.796) 13.800 6.189 ( -6.955 8.150 8.505) 13.680 6.369 ( 1.013 1.640 -1.387) 2.375 6.648 ( 6.299 -9.533 -9.354) 14.767 6.783 ( -0.530 -11.169 -5.483) 12.454 6.914 ( 6.032 -2.128 -9.704) 11.622 7.005 ( -1.202 -0.803 3.292) 3.596 7.178 ( -3.404 -5.078 -5.927) 8.514 7.436 ( 1.785 -5.729 -7.565) 9.655 7.660 ( 0.959 -6.051 5.930) 8.526 7.999 ( 3.286 -2.218 -3.827) 5.510 8.214 ( 2.914 4.003 1.549) 5.188 8.414 ( -2.645 2.182 0.537) 3.471 8.495 ( -2.528 3.435 -3.435) 5.476 8.854 ( 2.497 1.725 -14.680) 14.990 9.084 ( 2.136 6.947 9.743) 12.155 9.296 ( -4.378 -2.907 9.855) 11.169 9.924 ( 6.888 3.027 -9.968) 12.489 10.253 ( 0.625 -1.663 -16.104) 16.202 12.463 ( 3.777 1.123 1.259) 4.137 12.490 ( 1.421 -0.135 -2.742) 3.092 12.904 ( 0.919 -3.461 -1.692) 3.961 13.197 ( -0.554 -0.610 -2.688) 2.811 13.349 ( 4.328 -2.906 1.196) 5.349 13.573 ( 1.765 -1.173 -0.407) 2.158 13.969 ( -1.495 6.414 4.016) 7.714 14.153 ( 1.138 6.467 -0.770) 6.612 14.815 ( -6.486 -3.681 8.329) 11.180 15.340 ( -0.284 -0.953 -8.305) 8.364 16.969 ( -3.333 0.531 11.438) 11.926 17.531 ( 4.139 -5.112 1.820) 6.824 17.776 ( -4.893 -5.723 1.855) 7.755 18.139 ( 9.376 1.601 -3.507) 10.137 18.443 ( -2.917 0.927 -2.822) 4.163 18.551 ( 0.361 0.294 -0.675) 0.820 18.711 ( -2.842 0.318 4.814) 5.599 19.110 ( -0.903 3.729 -8.639) 9.453 20.485 ( -3.466 2.599 17.992) 18.506 21.085 ( -2.343 -13.048 15.858) 20.669 21.400 ( -1.615 -1.273 -5.828) 6.180 21.894 ( 5.314 0.987 -12.098) 13.251 22.204 ( -2.139 -3.760 8.653) 9.674 22.678 ( -0.721 0.699 -6.469) 6.547 23.586 ( 1.560 -0.910 2.246) 2.882 23.850 ( 1.096 1.892 -1.643) 2.735 24.026 ( 0.131 0.154 -5.689) 5.693 24.095 ( -0.436 10.347 -3.703) 10.998 ======================= Grid point 155 (79/128) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.172 2.036 21.884) 21.980 1.673 ( -4.346 13.226 21.515) 25.626 2.108 ( -0.924 -0.227 -0.303) 0.999 2.248 ( 14.760 -1.266 0.627) 14.828 2.388 ( -0.292 -6.189 -2.539) 6.696 2.641 ( -1.094 5.655 -0.588) 5.789 2.861 ( -6.696 -5.475 -8.923) 12.427 2.867 ( -0.141 -7.210 -1.971) 7.476 3.006 ( -4.523 -6.116 6.952) 10.305 3.243 ( -1.995 9.011 16.629) 19.019 3.353 ( 1.274 1.510 2.065) 2.858 3.425 ( 1.437 1.386 6.417) 6.720 3.668 ( -11.258 2.576 5.928) 12.981 3.799 ( -2.122 -2.104 -5.426) 6.194 3.918 ( -6.280 0.802 18.761) 19.801 4.000 ( 0.353 0.221 -3.134) 3.161 4.274 ( 2.592 6.215 6.334) 9.245 4.379 ( 6.158 0.458 2.396) 6.623 4.654 ( 2.695 4.302 2.661) 5.731 4.921 ( 4.341 -1.382 -7.489) 8.766 4.966 ( 2.585 8.924 0.694) 9.316 5.206 ( -7.167 2.161 10.479) 12.879 5.418 ( -4.241 -4.606 6.085) 8.731 5.480 ( -3.329 -6.378 7.265) 10.225 5.579 ( -3.487 -0.728 5.974) 6.955 5.878 ( -6.061 9.682 1.580) 11.531 6.180 ( -1.512 -2.164 25.539) 25.676 6.366 ( 2.321 0.689 -2.210) 3.278 6.748 ( -0.122 -3.095 -8.245) 8.807 6.825 ( -5.718 0.188 -5.299) 7.798 6.979 ( 5.857 0.361 -13.772) 14.970 7.059 ( 1.163 -9.505 -3.118) 10.071 7.225 ( 0.600 -4.916 -7.224) 8.759 7.497 ( 1.671 -3.112 -6.787) 7.651 7.842 ( 1.790 -9.182 4.259) 10.279 8.041 ( -2.146 -3.599 -0.448) 4.214 8.194 ( 2.576 4.079 1.433) 5.032 8.318 ( -1.407 5.145 4.911) 7.250 8.432 ( -0.734 1.629 -5.721) 5.994 8.811 ( 1.999 1.495 -14.109) 14.329 9.000 ( -0.193 8.357 10.171) 13.165 9.324 ( -3.240 -2.231 12.440) 13.047 9.946 ( 9.079 1.237 -11.235) 14.498 10.220 ( -1.251 -0.508 -17.192) 17.245 12.470 ( 2.194 0.091 -3.300) 3.964 12.562 ( 6.356 -1.649 0.483) 6.584 12.985 ( 2.289 -4.652 0.061) 5.185 13.170 ( 0.498 1.828 -2.640) 3.249 13.475 ( 5.209 -5.671 1.206) 7.794 13.613 ( 2.199 -0.571 -0.187) 2.280 13.865 ( -3.064 4.298 3.484) 6.325 14.048 ( 0.784 7.907 -1.407) 8.069 14.809 ( -7.255 -2.029 8.393) 11.277 15.325 ( -0.445 -0.627 -7.438) 7.478 16.961 ( -3.064 0.283 11.607) 12.008 17.614 ( 3.673 -1.223 -7.339) 8.298 17.845 ( -8.174 -9.189 6.060) 13.710 18.148 ( 2.750 4.460 -6.020) 7.981 18.429 ( 4.560 0.397 0.636) 4.622 18.552 ( -0.145 -0.236 -0.488) 0.561 18.689 ( -2.961 0.257 4.751) 5.604 19.024 ( 0.060 3.123 -6.665) 7.361 20.485 ( -0.630 1.119 17.910) 17.956 21.327 ( 1.027 -8.383 0.304) 8.452 21.404 ( -4.420 -11.455 2.846) 12.604 21.856 ( 2.642 7.048 -8.599) 11.428 22.261 ( -2.192 -3.056 7.728) 8.594 22.640 ( -0.821 0.901 -4.463) 4.627 23.611 ( 2.514 1.317 0.086) 2.839 23.806 ( -3.358 1.264 -3.381) 4.930 23.907 ( -2.496 8.421 0.615) 8.805 24.033 ( 4.462 1.153 -4.471) 6.421 ======================= Grid point 157 (80/128) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 3.061 0.000 21.407) 21.625 1.741 ( 7.797 0.000 13.505) 15.594 2.009 ( -4.588 -0.000 0.608) 4.628 2.330 ( -17.234 -0.000 -3.976) 17.687 2.498 ( -1.124 -0.000 -6.337) 6.436 2.548 ( 6.685 0.000 4.394) 8.000 2.623 ( 0.259 0.000 4.930) 4.937 2.800 ( -6.376 -0.000 -5.292) 8.286 2.994 ( -2.999 -0.000 -6.013) 6.719 3.245 ( -2.452 -0.000 8.585) 8.929 3.344 ( 3.027 0.000 6.630) 7.288 3.461 ( 2.255 0.000 0.661) 2.350 3.589 ( -1.352 -0.000 21.944) 21.986 3.885 ( 0.829 0.000 2.929) 3.044 4.023 ( 4.998 0.000 20.329) 20.934 4.047 ( 3.639 0.000 -5.232) 6.373 4.208 ( -2.464 -0.000 1.786) 3.043 4.547 ( 2.649 0.000 -10.399) 10.731 4.701 ( -1.695 -0.000 -4.718) 5.013 4.868 ( -6.702 -0.000 14.142) 15.650 5.040 ( -3.074 -0.000 16.295) 16.583 5.137 ( 3.320 0.000 -12.771) 13.195 5.341 ( 1.664 0.000 -0.282) 1.688 5.517 ( -5.735 -0.000 19.102) 19.944 5.719 ( 11.121 0.000 10.511) 15.302 5.837 ( 5.801 0.000 -8.079) 9.946 6.243 ( -8.687 -0.000 12.184) 14.963 6.273 ( -18.594 -0.000 16.502) 24.861 6.394 ( 1.039 0.000 -3.982) 4.116 6.739 ( 4.489 0.000 -15.473) 16.111 6.962 ( -2.666 -0.000 -6.623) 7.139 7.242 ( 8.958 0.000 -12.086) 15.043 7.283 ( -0.275 -0.000 -2.364) 2.380 7.516 ( -2.328 -0.000 -7.824) 8.163 7.791 ( -5.190 -0.000 3.162) 6.078 8.021 ( -4.295 -0.000 6.097) 7.458 8.080 ( 1.333 0.000 -1.592) 2.077 8.419 ( 2.444 0.000 -3.246) 4.064 8.525 ( 7.416 0.000 1.090) 7.496 8.749 ( 1.811 0.000 -11.964) 12.100 8.899 ( -6.363 -0.000 13.280) 14.726 9.418 ( -1.091 -0.000 13.597) 13.641 9.968 ( -4.132 -0.000 -16.142) 16.662 10.140 ( 9.256 0.000 -15.391) 17.960 12.576 ( 4.925 0.000 -1.822) 5.251 12.637 ( 0.145 0.000 -8.722) 8.723 13.061 ( -0.244 -0.000 0.262) 0.358 13.115 ( -4.359 -0.000 -5.171) 6.763 13.585 ( -4.478 -0.000 -2.209) 4.993 13.682 ( 1.404 0.000 -1.411) 1.991 13.782 ( -0.662 -0.000 5.541) 5.581 13.995 ( 2.981 0.000 -1.314) 3.258 14.768 ( -0.568 -0.000 11.317) 11.331 15.343 ( 4.936 0.000 -6.500) 8.162 16.977 ( -2.090 -0.000 12.109) 12.288 17.445 ( -17.923 -0.000 12.873) 22.067 17.622 ( 1.749 0.000 -9.170) 9.335 18.217 ( 3.673 0.000 -1.768) 4.076 18.496 ( -1.759 -0.000 -1.797) 2.515 18.586 ( 2.336 0.000 -2.863) 3.695 18.649 ( -1.833 -0.000 4.227) 4.608 19.118 ( 8.607 0.000 -7.823) 11.631 20.634 ( -0.753 -0.000 17.774) 17.790 21.270 ( -0.032 -0.000 -8.266) 8.266 21.456 ( -10.555 -0.000 3.615) 11.157 21.728 ( 2.563 0.000 0.245) 2.575 22.273 ( -2.219 -0.000 7.264) 7.595 22.694 ( 5.642 0.000 -4.142) 6.999 23.614 ( -4.551 -0.000 -2.920) 5.408 23.663 ( 1.071 0.000 0.689) 1.274 23.776 ( -1.623 -0.000 2.988) 3.401 24.190 ( 6.635 0.000 -6.225) 9.098 ======================= Grid point 158 (81/128) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -6.016 5.173 9.229) 12.170 1.887 ( 5.190 -4.590 12.512) 14.303 1.895 ( -3.222 5.718 1.906) 6.835 2.191 ( -7.193 -1.135 5.149) 8.919 2.440 ( 0.787 0.810 -5.681) 5.792 2.574 ( 2.913 3.502 7.286) 8.593 2.665 ( 0.913 0.347 3.333) 3.474 2.854 ( 3.725 -6.849 -5.163) 9.351 2.919 ( -7.265 -1.694 1.464) 7.602 3.268 ( -2.665 -1.921 3.600) 4.873 3.335 ( 3.899 1.749 -3.206) 5.342 3.575 ( -0.317 -5.100 2.254) 5.585 3.635 ( -2.670 -3.276 17.734) 18.230 3.846 ( 1.025 5.050 4.443) 6.804 4.001 ( 3.952 5.495 0.866) 6.824 4.164 ( 5.821 -1.122 16.332) 17.374 4.286 ( 1.056 -9.233 -0.523) 9.308 4.555 ( 1.600 -1.884 -4.283) 4.945 4.649 ( -15.600 -4.785 2.638) 16.529 4.883 ( 0.773 -1.510 5.165) 5.437 5.038 ( -9.369 5.214 -2.773) 11.074 5.084 ( 0.572 -1.765 14.353) 14.472 5.376 ( 5.691 2.799 4.101) 7.553 5.565 ( 1.045 -4.960 9.616) 10.870 5.837 ( 3.263 1.583 -9.494) 10.163 5.873 ( 8.612 2.201 8.467) 12.276 6.096 ( -11.547 -1.137 -0.130) 11.603 6.249 ( -6.626 -0.575 26.129) 26.962 6.394 ( -0.353 -0.906 0.534) 1.110 6.743 ( 4.501 0.363 -15.766) 16.400 6.905 ( -2.921 2.210 -2.678) 4.537 7.159 ( 1.574 10.230 -1.861) 10.516 7.320 ( 7.146 1.207 -14.519) 16.227 7.430 ( -4.421 1.994 -5.167) 7.086 7.748 ( -5.197 0.432 2.200) 5.660 7.966 ( -1.601 2.971 2.745) 4.351 8.133 ( 0.689 -3.738 -0.750) 3.874 8.439 ( 1.419 -1.260 -0.976) 2.134 8.589 ( 5.342 1.422 0.004) 5.528 8.762 ( 3.210 -2.783 -10.863) 11.664 8.922 ( -6.491 -6.507 10.974) 14.315 9.417 ( -1.953 2.691 13.484) 13.887 9.895 ( -3.469 -2.077 -16.725) 17.207 10.195 ( 8.715 0.157 -14.306) 16.753 12.595 ( -0.623 1.072 -8.443) 8.534 12.606 ( 3.244 1.824 -2.918) 4.729 13.000 ( -3.615 3.579 -3.540) 6.198 13.091 ( -0.534 -1.372 -0.249) 1.493 13.471 ( -5.577 5.838 -2.151) 8.356 13.632 ( -0.716 2.640 -0.050) 2.736 13.876 ( 0.030 -6.967 3.394) 7.750 14.078 ( 1.748 -6.333 -1.727) 6.793 14.787 ( 0.895 2.040 11.807) 12.016 15.372 ( 5.771 1.344 -6.542) 8.827 16.989 ( -2.343 -0.147 11.754) 11.986 17.317 ( -12.786 -0.185 14.833) 19.584 17.629 ( 1.050 -1.902 -8.459) 8.734 18.207 ( 1.227 3.440 -1.626) 3.998 18.482 ( 0.019 0.095 -1.693) 1.695 18.592 ( 0.087 0.089 -2.212) 2.216 18.666 ( -0.969 -2.607 3.262) 4.287 19.182 ( 7.848 0.273 -8.957) 11.912 20.659 ( -3.295 0.776 17.959) 18.276 21.250 ( -4.346 10.499 7.438) 13.581 21.267 ( -0.892 0.082 -5.801) 5.870 21.798 ( 0.730 -4.052 -4.508) 6.105 22.251 ( -2.256 2.360 7.780) 8.437 22.740 ( 5.660 0.459 -5.596) 7.973 23.551 ( -4.277 0.751 -0.129) 4.345 23.722 ( 0.363 -5.380 -0.183) 5.395 23.804 ( -0.355 -3.755 1.553) 4.079 24.246 ( 5.559 -1.055 -6.946) 8.959 ======================= Grid point 159 (82/128) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -11.832 8.217 7.143) 16.079 1.854 ( -4.434 -0.814 0.440) 4.530 2.030 ( 13.235 2.398 6.396) 14.894 2.180 ( -5.308 -3.986 7.406) 9.946 2.514 ( 4.800 -4.145 -1.365) 6.487 2.563 ( 2.085 5.255 9.245) 10.837 2.621 ( -1.348 4.374 0.313) 4.588 2.793 ( -3.975 2.687 -2.008) 5.201 3.077 ( 0.364 -10.236 0.463) 10.253 3.249 ( -3.587 -0.801 -0.130) 3.678 3.392 ( 7.623 -0.585 -5.420) 9.371 3.536 ( -7.834 1.356 7.116) 10.670 3.730 ( 0.383 -3.120 6.477) 7.199 3.819 ( -0.070 -0.343 5.151) 5.163 4.045 ( 6.034 -2.083 4.980) 8.096 4.275 ( 4.978 -0.521 15.010) 15.822 4.419 ( -3.708 -6.624 1.981) 7.845 4.546 ( -11.469 -6.487 1.221) 13.232 4.655 ( 0.713 -4.313 2.221) 4.903 4.771 ( -7.754 15.203 11.610) 20.641 4.954 ( -2.122 -4.938 3.014) 6.162 5.147 ( 1.122 0.004 7.900) 7.979 5.403 ( -2.544 -1.953 12.631) 13.032 5.692 ( -9.328 4.543 -4.532) 11.323 5.717 ( 11.611 -0.824 -5.030) 12.681 5.903 ( -4.113 -0.558 8.610) 9.558 6.093 ( 2.595 -0.481 6.232) 6.768 6.295 ( 0.152 -2.523 10.465) 10.766 6.448 ( 1.798 -4.244 7.984) 9.219 6.717 ( 2.840 3.002 -16.942) 17.439 6.821 ( -0.664 4.689 -2.063) 5.165 7.032 ( 2.195 7.150 0.175) 7.481 7.227 ( -2.151 6.237 -11.150) 12.955 7.427 ( 3.332 -0.744 -6.267) 7.136 7.674 ( -6.483 1.896 3.378) 7.552 7.924 ( 0.494 1.198 -2.614) 2.917 8.193 ( 1.705 -2.998 -1.543) 3.778 8.468 ( -0.708 -1.691 -1.701) 2.501 8.594 ( 2.215 2.345 0.105) 3.227 8.832 ( 5.204 -3.331 -10.155) 11.888 8.992 ( -5.644 -7.159 8.315) 12.339 9.377 ( -2.000 4.172 12.485) 13.314 9.877 ( -1.854 -4.690 -14.348) 15.209 10.234 ( 7.506 0.925 -13.749) 15.692 12.537 ( -3.608 0.137 -8.674) 9.395 12.583 ( 2.883 4.441 -1.491) 5.501 12.921 ( 0.042 2.793 -3.303) 4.326 13.109 ( 0.285 -0.813 0.561) 1.028 13.341 ( -3.868 3.022 -1.131) 5.037 13.589 ( -1.799 1.299 -0.913) 2.399 13.981 ( -0.633 -5.905 3.074) 6.687 14.180 ( -0.077 -5.873 -1.361) 6.029 14.786 ( 0.504 3.176 11.591) 12.029 15.382 ( 5.271 2.502 -7.364) 9.396 16.992 ( -3.385 0.025 11.207) 11.707 17.281 ( -6.325 -2.855 15.803) 17.259 17.648 ( -0.526 -2.766 -7.509) 8.019 18.162 ( 1.847 3.014 -2.181) 4.153 18.477 ( 0.449 0.494 -1.535) 1.674 18.580 ( -0.981 0.105 -1.771) 2.027 18.705 ( -0.893 -2.085 3.018) 3.775 19.219 ( 6.110 1.174 -9.497) 11.353 20.635 ( -5.637 2.424 18.102) 19.114 21.063 ( -3.414 9.995 14.330) 17.801 21.297 ( 1.965 -3.140 -7.474) 8.342 21.830 ( 1.425 -1.763 -8.905) 9.189 22.204 ( -2.543 3.022 8.367) 9.252 22.756 ( 4.478 2.092 -7.550) 9.024 23.517 ( -3.307 -1.145 2.937) 4.569 23.801 ( 0.025 -4.403 -0.506) 4.432 23.880 ( 0.633 -5.531 -0.735) 5.615 24.291 ( 3.913 -0.617 -7.253) 8.264 ======================= Grid point 160 (83/128) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -2.837 -1.052 11.625) 12.013 1.836 ( -5.175 -4.329 0.491) 6.765 2.133 ( 17.083 6.400 4.048) 18.686 2.252 ( -2.405 -8.643 0.788) 9.006 2.461 ( 1.008 11.536 7.639) 13.872 2.485 ( -4.088 7.291 5.409) 9.956 2.627 ( -2.328 -6.179 -3.679) 7.559 2.762 ( -3.868 -3.306 -3.519) 6.186 3.132 ( -2.651 -0.355 -1.878) 3.268 3.257 ( 0.491 -2.368 -2.428) 3.427 3.396 ( -0.673 0.397 -7.707) 7.747 3.524 ( -1.141 0.573 14.105) 14.162 3.754 ( 0.336 1.507 8.347) 8.489 3.875 ( -0.829 -3.386 5.374) 6.406 4.155 ( 4.834 -2.156 3.532) 6.363 4.323 ( 1.426 4.212 8.183) 9.313 4.364 ( -9.935 17.637 11.399) 23.231 4.493 ( -6.226 -9.856 10.987) 16.019 4.636 ( -1.825 -0.935 4.679) 5.108 4.735 ( 2.319 -3.288 2.753) 4.875 5.056 ( -2.974 -9.179 4.647) 10.709 5.171 ( -0.855 -1.349 12.298) 12.402 5.379 ( -4.582 8.296 12.926) 16.028 5.528 ( -7.885 -1.600 0.313) 8.052 5.733 ( 5.287 8.642 -16.005) 18.942 6.000 ( -2.085 -8.709 21.995) 23.748 6.142 ( 2.486 -2.363 -0.654) 3.492 6.351 ( -0.135 -3.000 2.336) 3.805 6.528 ( 3.107 2.816 -0.009) 4.193 6.626 ( -1.282 3.457 -8.722) 9.469 6.818 ( 7.688 -2.562 -1.002) 8.166 7.002 ( 3.516 1.166 -1.773) 4.106 7.103 ( -3.541 1.867 -8.720) 9.595 7.401 ( -2.441 2.785 -3.886) 5.368 7.609 ( -2.620 0.561 3.510) 4.416 7.934 ( 1.910 -2.033 -6.356) 6.941 8.251 ( 3.681 -1.227 -0.670) 3.938 8.456 ( -1.918 0.150 -3.372) 3.882 8.573 ( -0.218 2.015 -0.946) 2.237 8.884 ( 4.353 -0.364 -11.473) 12.276 9.070 ( -3.565 -6.472 8.829) 11.513 9.326 ( -1.471 4.199 10.424) 11.334 9.909 ( 0.068 -4.858 -11.230) 12.236 10.247 ( 5.906 1.629 -13.978) 15.262 12.479 ( -3.489 -0.613 -6.089) 7.044 12.543 ( 2.600 3.794 -0.971) 4.701 12.889 ( 2.388 2.319 -2.219) 4.001 13.127 ( -0.314 -1.764 -0.922) 2.015 13.307 ( 0.123 -1.069 -0.143) 1.085 13.553 ( -1.969 0.196 -1.246) 2.339 14.050 ( -1.409 -2.886 3.336) 4.630 14.235 ( -0.428 -1.859 -0.472) 1.965 14.770 ( -1.199 2.190 10.607) 10.897 15.365 ( 3.501 2.835 -8.630) 9.735 16.982 ( -3.796 0.176 11.172) 11.801 17.350 ( -1.412 -5.567 14.959) 16.024 17.652 ( -3.267 -2.764 -6.202) 7.535 18.161 ( 4.637 0.384 -3.982) 6.124 18.464 ( -0.021 0.943 -1.434) 1.717 18.562 ( -0.945 0.161 -1.522) 1.799 18.721 ( -1.317 -0.287 3.950) 4.174 19.217 ( 3.899 2.816 -9.520) 10.666 20.581 ( -5.249 3.217 18.283) 19.292 20.958 ( -3.983 4.160 17.022) 17.970 21.344 ( 1.831 -2.457 -7.022) 7.662 21.853 ( 3.214 -2.162 -11.949) 12.561 22.164 ( -2.671 1.471 8.856) 9.366 22.732 ( 2.681 2.841 -8.238) 9.117 23.531 ( -1.393 -2.400 4.266) 5.090 23.846 ( -1.532 -2.680 -1.475) 3.421 23.969 ( 3.140 -3.747 -1.819) 5.216 24.292 ( 1.659 2.171 -7.393) 7.882 ======================= Grid point 161 (84/128) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 1.010 -3.457 17.810) 18.170 1.893 ( -1.669 -7.534 -0.859) 7.765 2.178 ( 9.124 10.057 2.328) 13.777 2.317 ( -5.190 2.614 0.560) 5.839 2.343 ( 3.247 7.976 6.813) 10.980 2.406 ( -0.393 -10.175 -0.879) 10.220 2.709 ( 0.698 -5.517 2.881) 6.262 2.737 ( -8.569 -4.936 -8.610) 13.112 3.021 ( -4.282 7.421 -3.498) 9.254 3.316 ( 2.216 -2.482 -5.649) 6.556 3.432 ( 1.757 -5.980 -3.074) 6.950 3.497 ( -2.772 2.407 13.403) 13.897 3.733 ( -0.076 6.517 13.598) 15.079 3.880 ( -4.269 4.903 8.064) 10.358 4.015 ( -5.666 12.560 14.341) 19.888 4.204 ( -0.902 6.784 1.792) 7.074 4.315 ( 3.732 0.668 8.000) 8.853 4.556 ( -3.207 -0.163 7.602) 8.252 4.673 ( 2.250 -2.989 4.413) 5.785 4.819 ( -0.825 -2.940 9.151) 9.647 5.139 ( -8.674 -9.271 -1.010) 12.736 5.227 ( -0.078 5.799 5.566) 8.038 5.280 ( -1.758 -4.771 20.097) 20.731 5.501 ( -1.163 3.438 -2.585) 4.456 5.576 ( 1.598 8.081 -6.465) 10.471 6.075 ( -1.873 3.652 17.326) 17.805 6.191 ( -5.161 -2.323 2.715) 6.278 6.401 ( 0.935 -0.003 0.597) 1.109 6.526 ( 3.736 -7.058 -11.095) 13.670 6.615 ( -0.367 -4.921 -1.308) 5.105 6.930 ( 5.165 -0.365 -9.565) 10.877 7.009 ( -1.055 0.967 1.109) 1.811 7.069 ( -0.456 -3.660 -7.237) 8.123 7.359 ( -0.198 -3.525 -4.046) 5.370 7.625 ( 1.549 -2.155 5.270) 5.900 7.967 ( -0.056 -2.403 -5.852) 6.327 8.291 ( 3.934 1.937 2.103) 4.863 8.429 ( -0.504 -0.429 -4.590) 4.638 8.510 ( -2.019 4.127 -2.796) 5.378 8.874 ( 2.725 2.054 -11.422) 11.921 9.159 ( -0.502 -4.235 10.315) 11.162 9.271 ( -2.872 3.650 7.866) 9.135 9.953 ( 2.491 -2.772 -9.336) 10.052 10.229 ( 3.741 2.018 -15.563) 16.133 12.461 ( -0.778 -1.774 -4.523) 4.920 12.529 ( 3.251 1.336 -0.072) 3.516 12.894 ( 3.246 -0.014 -0.405) 3.271 13.144 ( -2.284 -2.572 -3.418) 4.849 13.362 ( 4.215 -2.724 0.990) 5.115 13.542 ( -1.537 -1.741 -1.028) 2.540 14.043 ( -2.190 2.907 4.044) 5.440 14.231 ( 0.695 2.116 -0.474) 2.277 14.755 ( -3.334 0.330 9.580) 10.149 15.329 ( 1.611 1.866 -9.300) 9.621 16.972 ( -3.365 0.260 11.382) 11.872 17.488 ( 1.068 -7.270 12.069) 14.130 17.633 ( -5.514 -2.878 -4.547) 7.704 18.200 ( 2.751 -0.737 -6.893) 7.459 18.452 ( 2.677 1.135 -0.364) 2.930 18.549 ( -0.687 -0.009 -1.069) 1.271 18.711 ( -1.544 0.958 4.857) 5.186 19.162 ( 1.893 4.839 -8.684) 10.120 20.543 ( -2.816 2.461 18.262) 18.641 20.958 ( -5.212 -4.512 18.601) 19.838 21.362 ( 0.774 -0.533 -7.188) 7.249 21.892 ( 3.850 -2.136 -13.626) 14.320 22.162 ( -2.297 -1.667 8.981) 9.419 22.691 ( 1.514 2.470 -7.184) 7.746 23.576 ( 0.219 -2.681 3.757) 4.621 23.839 ( -3.041 -0.261 -2.545) 3.974 24.045 ( 5.514 -0.945 -2.674) 6.200 24.208 ( -0.985 6.927 -6.825) 9.774 ======================= Grid point 162 (85/128) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.838 0.580 19.545) 19.571 1.923 ( -0.900 10.237 8.638) 13.425 2.066 ( -2.805 1.234 3.024) 4.305 2.288 ( -1.673 -4.412 -0.294) 4.728 2.362 ( 8.019 0.095 -2.130) 8.298 2.595 ( -1.283 -13.650 -4.023) 14.289 2.657 ( -6.883 -0.180 -4.795) 8.390 2.821 ( -2.520 -0.963 -3.598) 4.497 2.891 ( 0.954 -1.358 3.095) 3.512 3.331 ( -0.636 3.015 -1.617) 3.480 3.437 ( 3.221 -0.760 5.980) 6.835 3.568 ( -0.336 9.118 17.556) 19.785 3.667 ( 1.385 -3.287 4.369) 5.640 3.709 ( -6.590 7.736 3.270) 10.676 3.928 ( -4.187 1.564 10.101) 11.046 4.040 ( -4.571 7.505 9.276) 12.778 4.375 ( 5.051 2.156 5.274) 7.614 4.515 ( 1.514 5.893 3.756) 7.151 4.766 ( 5.688 -0.250 8.674) 10.375 4.844 ( -5.497 -3.670 6.432) 9.222 5.103 ( -1.534 5.636 -1.977) 6.167 5.235 ( -9.004 -8.946 6.087) 14.077 5.326 ( 3.577 11.958 -3.096) 12.859 5.419 ( 4.417 -3.999 7.063) 9.240 5.559 ( -2.452 -1.333 5.891) 6.519 5.965 ( -4.047 7.343 2.086) 8.640 6.196 ( -2.785 -0.546 19.421) 19.628 6.389 ( -0.271 1.106 3.521) 3.701 6.624 ( -9.475 -3.143 0.758) 10.011 6.713 ( 0.608 -9.604 -18.935) 21.240 6.924 ( -0.158 -4.605 -1.914) 4.989 7.014 ( 5.183 0.140 -11.968) 13.043 7.131 ( 2.711 -5.929 -7.467) 9.913 7.443 ( 1.716 -4.933 -2.445) 5.767 7.746 ( 3.694 -7.393 3.789) 9.092 7.962 ( -4.491 -1.613 -1.876) 5.127 8.278 ( 0.722 4.208 1.660) 4.581 8.409 ( -0.409 5.442 0.397) 5.471 8.437 ( 2.854 -0.323 -4.910) 5.688 8.828 ( 1.873 2.723 -11.487) 11.953 9.145 ( -2.391 8.469 7.223) 11.384 9.277 ( -1.798 -5.033 12.109) 13.236 9.997 ( 4.682 -1.460 -8.977) 10.230 10.178 ( 1.564 2.279 -18.068) 18.278 12.480 ( 2.076 -1.192 -3.252) 4.038 12.576 ( 3.860 -2.331 -2.261) 5.044 12.959 ( 4.187 -3.017 1.328) 5.329 13.136 ( -3.535 -2.302 -4.738) 6.344 13.468 ( 4.704 -4.043 1.561) 6.396 13.566 ( -1.124 -3.285 -1.094) 3.640 13.951 ( -2.003 6.869 4.459) 8.431 14.176 ( 1.399 6.565 -1.545) 6.888 14.743 ( -4.565 -0.901 9.539) 10.613 15.303 ( 1.482 0.098 -8.538) 8.666 16.967 ( -2.791 0.294 11.689) 12.021 17.605 ( -5.320 -2.722 -4.561) 7.518 17.630 ( -2.242 -6.671 9.265) 11.634 18.174 ( -1.916 1.090 -6.311) 6.684 18.500 ( 6.766 -0.020 -0.917) 6.828 18.541 ( -0.515 -0.245 -1.189) 1.319 18.691 ( -1.385 1.325 4.930) 5.290 19.084 ( 2.573 4.630 -7.105) 8.863 20.550 ( -0.391 1.171 17.892) 17.934 21.095 ( -5.459 -14.233 17.060) 22.878 21.341 ( -0.030 0.817 -7.522) 7.566 21.903 ( 2.013 0.711 -12.437) 12.619 22.208 ( -1.925 -3.541 7.991) 8.949 22.658 ( 2.026 1.770 -5.305) 5.948 23.629 ( 0.794 -2.144 2.315) 3.254 23.778 ( -3.951 2.358 -3.124) 5.561 24.030 ( -2.585 10.439 -4.123) 11.518 24.102 ( 6.408 1.087 -3.625) 7.442 ======================= Grid point 165 (86/128) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -13.635 -0.000 7.766) 15.692 1.823 ( -3.448 -0.000 7.192) 7.976 1.992 ( -0.064 -0.000 10.971) 10.971 2.191 ( 7.171 0.000 7.185) 10.151 2.426 ( -2.215 -0.000 -5.597) 6.019 2.666 ( -1.586 -0.000 -1.305) 2.054 2.680 ( 2.213 0.000 17.027) 17.171 2.731 ( 1.485 0.000 5.240) 5.446 2.920 ( 5.388 0.000 -10.099) 11.446 3.248 ( -3.351 -0.000 4.371) 5.508 3.417 ( 3.750 0.000 -2.896) 4.739 3.507 ( 1.300 0.000 0.234) 1.321 3.612 ( -6.893 -0.000 14.704) 16.239 3.911 ( 0.745 0.000 3.570) 3.647 4.052 ( -0.867 -0.000 -4.398) 4.483 4.238 ( 4.770 0.000 -1.541) 5.013 4.281 ( 4.670 0.000 17.275) 17.895 4.406 ( -15.419 -0.000 1.770) 15.521 4.554 ( 2.285 0.000 -9.926) 10.185 4.897 ( 0.007 0.000 4.209) 4.209 4.972 ( -6.240 -0.000 -6.292) 8.861 5.123 ( 0.121 0.000 24.204) 24.204 5.479 ( -7.678 -0.000 16.696) 18.377 5.553 ( 11.250 0.000 -1.853) 11.401 5.843 ( 2.269 0.000 -16.384) 16.541 5.912 ( -12.176 -0.000 12.725) 17.612 6.079 ( 6.452 0.000 14.490) 15.862 6.287 ( 4.018 0.000 17.847) 18.294 6.382 ( 0.055 0.000 -2.515) 2.515 6.714 ( -0.740 -0.000 -15.087) 15.105 6.931 ( 2.939 0.000 0.563) 2.993 7.233 ( -3.840 -0.000 0.975) 3.962 7.332 ( -0.522 -0.000 -16.292) 16.300 7.396 ( 3.225 0.000 -7.188) 7.878 7.725 ( -3.115 -0.000 2.691) 4.116 7.938 ( -6.407 -0.000 4.204) 7.663 8.137 ( 3.567 0.000 -1.204) 3.765 8.441 ( 0.911 0.000 -1.749) 1.972 8.663 ( 5.279 0.000 -0.225) 5.283 8.739 ( 3.870 0.000 -11.718) 12.340 8.833 ( -6.616 -0.000 13.299) 14.853 9.448 ( -3.225 -0.000 14.068) 14.433 9.791 ( -3.182 -0.000 -18.663) 18.932 10.250 ( 8.577 0.000 -14.074) 16.482 12.540 ( -4.405 -0.000 -9.937) 10.870 12.665 ( 4.388 0.000 -2.679) 5.141 13.011 ( -2.204 -0.000 -1.629) 2.741 13.032 ( -2.220 -0.000 -1.156) 2.503 13.458 ( -5.331 -0.000 -2.669) 5.962 13.642 ( -3.496 -0.000 -2.640) 4.381 13.812 ( 0.251 0.000 5.301) 5.307 14.051 ( 2.405 0.000 -1.874) 3.049 14.856 ( 2.188 0.000 12.141) 12.337 15.430 ( 5.978 0.000 -5.811) 8.337 16.990 ( -3.321 -0.000 11.123) 11.608 17.237 ( -9.227 -0.000 16.894) 19.250 17.603 ( 1.150 0.000 -8.934) 9.008 18.219 ( -2.038 -0.000 -3.770) 4.286 18.498 ( 2.525 0.000 -1.099) 2.754 18.590 ( -0.037 -0.000 -2.586) 2.586 18.639 ( -1.175 -0.000 5.214) 5.345 19.239 ( 7.217 0.000 -10.024) 12.352 20.671 ( -5.165 -0.000 18.074) 18.798 21.241 ( 1.699 0.000 -8.073) 8.250 21.308 ( -5.613 -0.000 6.491) 8.581 21.768 ( 1.301 0.000 -1.072) 1.686 22.270 ( -2.147 -0.000 8.364) 8.635 22.789 ( 5.614 0.000 -5.604) 7.933 23.534 ( -1.828 -0.000 -1.519) 2.376 23.646 ( -2.457 -0.000 0.960) 2.638 23.801 ( 1.779 0.000 2.822) 3.336 24.268 ( 4.397 0.000 -8.088) 9.205 ======================= Grid point 166 (87/128) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -12.227 8.900 11.119) 18.771 1.795 ( -5.372 0.377 3.328) 6.331 2.033 ( -3.303 -3.460 9.918) 11.012 2.258 ( 4.339 1.594 8.248) 9.455 2.455 ( 0.716 -5.762 -5.180) 7.782 2.656 ( 0.006 2.399 0.876) 2.554 2.691 ( 0.953 1.073 4.276) 4.510 2.797 ( 2.007 2.702 11.376) 11.864 3.013 ( 9.248 -1.884 -1.649) 9.581 3.209 ( -1.850 -1.260 1.898) 2.935 3.434 ( 0.596 -2.182 -1.752) 2.861 3.489 ( -5.985 2.949 1.585) 6.857 3.652 ( -0.164 -8.450 4.766) 9.703 3.874 ( 0.670 5.350 0.072) 5.392 4.073 ( 2.334 -3.452 -0.440) 4.190 4.240 ( -16.182 -4.901 6.808) 18.227 4.308 ( -2.605 -5.404 0.184) 6.002 4.400 ( 3.435 1.853 11.450) 12.097 4.597 ( 3.318 -4.763 -5.535) 8.021 4.884 ( -0.321 4.283 -0.217) 4.300 4.913 ( -1.178 -0.563 2.117) 2.488 5.202 ( 0.583 0.458 21.598) 21.611 5.404 ( -5.685 2.158 11.078) 12.637 5.642 ( -1.183 -0.994 -3.265) 3.612 5.816 ( -5.293 0.939 15.738) 16.631 5.837 ( 2.547 0.520 -13.277) 13.529 6.145 ( -3.507 0.030 25.515) 25.755 6.356 ( 4.595 2.444 -0.752) 5.258 6.473 ( 13.307 -3.108 6.069) 14.952 6.665 ( -2.254 -0.749 -12.657) 12.878 6.935 ( 4.792 4.651 -3.118) 7.370 7.142 ( -2.481 5.597 0.455) 6.139 7.220 ( -6.980 3.032 -10.018) 12.581 7.450 ( 6.783 -0.013 -9.246) 11.467 7.670 ( -3.885 3.044 3.620) 6.120 7.889 ( -4.954 -0.963 0.431) 5.065 8.186 ( 3.422 -2.385 -2.289) 4.758 8.437 ( -1.098 0.270 -0.113) 1.136 8.663 ( 2.987 3.658 -3.171) 5.688 8.805 ( 5.206 -4.293 -8.438) 10.804 8.856 ( -5.199 -6.022 10.430) 13.118 9.432 ( -3.510 2.168 13.190) 13.820 9.743 ( -1.733 -3.856 -17.121) 17.635 10.291 ( 7.637 0.769 -13.806) 15.796 12.462 ( -5.577 -0.256 -8.117) 9.852 12.667 ( 2.567 3.354 -3.587) 5.542 12.961 ( 1.365 2.159 -1.561) 2.993 13.060 ( -1.675 -3.734 -0.591) 4.135 13.361 ( -3.576 4.337 -1.432) 5.801 13.577 ( -3.709 1.246 -2.204) 4.491 13.882 ( -0.885 -5.886 3.907) 7.120 14.098 ( 0.873 -4.184 -2.002) 4.720 14.887 ( 1.848 3.175 12.007) 12.556 15.457 ( 5.044 2.064 -6.055) 8.146 16.980 ( -4.214 -0.140 10.714) 11.514 17.230 ( -4.225 -2.083 17.800) 18.413 17.596 ( 0.260 -0.940 -8.489) 8.545 18.176 ( -1.696 0.474 -5.093) 5.389 18.508 ( 2.128 1.482 -0.883) 2.740 18.571 ( -0.842 0.730 -1.385) 1.778 18.673 ( -0.055 -2.379 4.802) 5.359 19.273 ( 5.752 0.886 -10.556) 12.054 20.649 ( -6.665 1.072 17.844) 19.079 21.194 ( -3.334 7.280 5.388) 9.651 21.278 ( 3.386 -0.919 -2.803) 4.490 21.792 ( 0.719 -2.031 -4.693) 5.164 22.248 ( -2.348 2.735 9.000) 9.695 22.816 ( 4.673 1.643 -7.007) 8.581 23.493 ( -1.657 1.348 1.616) 2.678 23.691 ( -1.718 -6.604 -1.172) 6.924 23.849 ( 2.297 -2.725 2.604) 4.414 24.291 ( 2.764 -0.873 -8.556) 9.034 ======================= Grid point 167 (88/128) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -2.945 1.693 12.517) 12.970 1.731 ( -7.601 -0.798 4.502) 8.870 2.097 ( -2.735 -6.577 3.718) 8.035 2.280 ( -4.081 -0.022 4.964) 6.426 2.470 ( -6.649 -1.519 -5.740) 8.914 2.611 ( 1.302 4.448 3.004) 5.523 2.713 ( 2.253 -0.906 0.508) 2.481 2.756 ( 12.005 14.283 9.798) 21.074 3.074 ( 0.276 -3.893 -0.587) 3.947 3.247 ( -0.990 3.034 -3.024) 4.397 3.398 ( -1.639 0.006 1.172) 2.014 3.527 ( 1.119 -7.144 8.127) 10.878 3.780 ( -0.293 3.487 -1.493) 3.804 3.823 ( 0.750 -6.305 5.707) 8.538 4.163 ( 0.811 -6.329 2.280) 6.776 4.218 ( -13.724 -10.028 6.574) 18.224 4.327 ( -6.635 -2.768 1.084) 7.270 4.423 ( 0.395 2.012 11.903) 12.079 4.703 ( 3.912 -4.648 -1.199) 6.192 4.773 ( -0.337 10.137 10.337) 14.482 4.959 ( 1.161 -3.157 -2.541) 4.216 5.200 ( -2.155 1.848 16.328) 16.573 5.410 ( -2.720 -2.778 10.352) 11.058 5.539 ( -3.188 9.448 2.969) 10.404 5.736 ( -8.458 -2.907 -5.953) 10.744 5.952 ( 8.242 -3.714 8.111) 12.146 6.168 ( -4.171 0.166 18.819) 19.277 6.350 ( 2.171 2.231 -1.942) 3.669 6.614 ( -0.601 0.017 -5.689) 5.721 6.659 ( 11.425 3.334 -1.218) 11.964 6.904 ( 7.602 2.976 -5.125) 9.640 7.055 ( -2.603 2.601 -4.437) 5.765 7.070 ( -3.808 4.010 -4.648) 7.223 7.413 ( -4.460 5.005 -0.012) 6.704 7.626 ( 1.976 1.134 0.052) 2.279 7.881 ( -1.011 -2.787 -4.200) 5.141 8.264 ( 3.598 -3.838 -4.116) 6.679 8.408 ( -2.868 0.530 0.240) 2.927 8.621 ( 1.530 3.632 -3.542) 5.299 8.887 ( 4.645 -1.940 -10.084) 11.270 8.943 ( -3.913 -8.002 10.313) 13.627 9.388 ( -2.897 3.164 9.812) 10.709 9.779 ( 0.168 -6.917 -12.435) 14.230 10.306 ( 6.294 2.012 -13.620) 15.138 12.402 ( -4.440 -1.524 -5.041) 6.888 12.617 ( 1.357 3.818 -3.837) 5.581 12.959 ( 3.870 2.119 -1.543) 4.674 13.083 ( -1.979 -1.627 -1.145) 2.806 13.298 ( 0.336 0.195 0.217) 0.445 13.522 ( -3.545 0.105 -2.576) 4.383 13.968 ( -1.945 -5.625 3.813) 7.068 14.170 ( -0.212 -5.003 -1.485) 5.223 14.865 ( 0.582 5.369 11.366) 12.583 15.436 ( 3.340 3.977 -7.266) 8.932 16.970 ( -3.810 -0.284 10.903) 11.553 17.301 ( -1.396 -4.286 18.031) 18.586 17.584 ( -0.827 -0.856 -7.903) 7.992 18.159 ( 0.095 -1.299 -6.524) 6.653 18.499 ( 1.812 1.852 -0.669) 2.676 18.551 ( -0.797 0.265 -1.164) 1.435 18.714 ( -0.201 -1.090 5.004) 5.125 19.272 ( 4.007 2.200 -10.652) 11.592 20.609 ( -6.107 1.368 17.824) 18.891 21.050 ( -4.683 8.335 11.788) 15.178 21.334 ( 4.576 -1.253 -4.504) 6.542 21.817 ( 1.870 -2.266 -9.217) 9.674 22.197 ( -2.667 3.312 9.310) 10.235 22.792 ( 3.061 3.716 -8.577) 9.836 23.491 ( -1.162 -1.854 4.253) 4.783 23.761 ( -1.493 -4.882 -2.089) 5.516 23.946 ( 3.890 -4.842 1.085) 6.305 24.296 ( 0.650 -0.065 -8.490) 8.515 ======================= Grid point 168 (89/128) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.579 -4.270 15.271) 15.935 1.734 ( -3.169 -7.681 1.516) 8.446 2.113 ( -15.315 -2.698 -2.738) 15.790 2.239 ( -4.520 -6.914 0.801) 8.299 2.426 ( -0.901 0.154 0.008) 0.915 2.535 ( 0.087 8.502 3.447) 9.175 2.674 ( 2.832 7.589 0.009) 8.100 2.787 ( 14.308 4.049 7.449) 16.631 3.076 ( -4.019 7.077 -5.303) 9.714 3.220 ( 0.701 -8.902 -3.930) 9.756 3.387 ( 2.862 1.348 -1.999) 3.742 3.603 ( -0.285 5.604 11.219) 12.544 3.761 ( -3.531 -6.654 5.089) 9.091 3.914 ( 1.405 0.948 6.801) 7.009 4.171 ( -11.799 3.250 15.018) 19.373 4.247 ( -8.048 3.310 3.767) 9.482 4.331 ( 6.893 -5.732 1.529) 9.094 4.436 ( -7.048 -6.839 12.347) 15.776 4.693 ( 0.052 4.101 13.898) 14.491 4.812 ( 3.810 -4.278 0.940) 5.805 4.956 ( -4.847 -1.559 -5.715) 7.655 5.267 ( -1.221 -2.786 19.881) 20.112 5.368 ( -0.977 9.115 12.615) 15.594 5.445 ( -0.688 -2.301 1.285) 2.724 5.698 ( 0.020 0.084 -14.617) 14.618 6.111 ( 4.172 -4.219 9.760) 11.422 6.132 ( -5.778 3.150 11.007) 12.825 6.351 ( 1.211 -2.113 -3.778) 4.495 6.573 ( 0.039 3.813 -4.682) 6.038 6.612 ( 3.147 7.340 -1.228) 8.080 6.930 ( -4.014 1.485 -7.677) 8.790 6.990 ( 2.735 -1.670 -6.575) 7.314 7.058 ( 2.896 0.378 1.170) 3.146 7.310 ( -2.120 -0.197 0.970) 2.340 7.653 ( 4.762 0.294 0.602) 4.809 7.905 ( -1.217 -2.497 -5.163) 5.863 8.338 ( -1.212 -5.274 -9.117) 10.602 8.378 ( 2.365 2.379 3.287) 4.696 8.564 ( 0.438 4.041 -2.892) 4.989 8.902 ( 2.886 1.209 -10.182) 10.652 9.066 ( -2.172 -8.274 10.815) 13.789 9.328 ( -2.834 3.892 6.251) 7.891 9.869 ( 1.999 -6.684 -9.149) 11.506 10.284 ( 4.669 3.560 -14.312) 15.469 12.397 ( -1.523 -3.328 -2.645) 4.516 12.575 ( 1.604 1.979 -3.615) 4.423 12.960 ( 4.359 2.616 0.125) 5.085 13.069 ( -3.457 -1.408 -3.524) 5.134 13.352 ( 2.904 -3.327 1.079) 4.546 13.495 ( -1.804 -1.645 -2.749) 3.676 14.024 ( -2.490 -2.908 4.630) 6.008 14.226 ( -0.076 -2.749 -0.717) 2.842 14.809 ( -1.037 5.254 10.320) 11.627 15.374 ( 1.875 4.410 -8.666) 9.902 16.969 ( -3.014 -0.216 11.239) 11.638 17.408 ( -3.441 -5.309 17.907) 18.992 17.574 ( 1.758 -1.021 -7.617) 7.884 18.163 ( -1.245 -1.570 -7.378) 7.645 18.503 ( 3.655 0.528 -1.070) 3.844 18.538 ( -0.547 0.118 -1.290) 1.407 18.727 ( -0.660 0.548 5.422) 5.490 19.229 ( 2.332 3.968 -10.119) 11.117 20.586 ( -4.201 0.892 17.833) 18.343 20.934 ( -6.466 3.235 16.256) 17.792 21.368 ( 3.540 0.723 -5.650) 6.707 21.853 ( 3.126 -2.723 -12.505) 13.175 22.158 ( -2.528 1.190 9.382) 9.789 22.736 ( 2.040 3.578 -8.438) 9.390 23.536 ( -0.687 -3.266 4.758) 5.811 23.791 ( -1.382 -1.872 -2.136) 3.159 24.066 ( 5.641 -3.824 -1.106) 6.904 24.248 ( -1.703 3.040 -7.950) 8.680 ======================= Grid point 169 (90/128) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -1.289 -2.819 15.767) 16.068 1.843 ( -6.410 -5.980 -1.947) 8.980 2.020 ( -9.162 -7.643 -1.078) 11.980 2.337 ( -0.931 -4.534 2.140) 5.099 2.393 ( -2.060 5.074 1.872) 5.787 2.436 ( 2.813 0.935 0.778) 3.064 2.600 ( 0.562 2.888 -0.489) 2.983 2.888 ( 2.004 6.969 -3.828) 8.200 2.936 ( 7.585 0.932 5.448) 9.385 3.296 ( -0.135 -2.851 -8.905) 9.351 3.484 ( 3.145 -8.462 -2.302) 9.316 3.524 ( -1.260 4.605 5.432) 7.231 3.790 ( -4.464 2.904 14.279) 15.239 3.842 ( -1.528 10.189 9.116) 13.757 4.008 ( -1.203 10.148 8.298) 13.164 4.118 ( -8.320 3.987 18.308) 20.501 4.468 ( 5.541 -1.551 6.546) 8.715 4.551 ( -0.573 -5.196 8.301) 9.810 4.668 ( -6.133 -2.098 5.521) 8.514 4.894 ( -8.630 -10.201 -0.764) 13.384 4.936 ( 1.791 2.007 9.439) 9.815 5.219 ( -4.483 5.226 9.107) 11.417 5.402 ( -1.091 -3.373 13.970) 14.413 5.516 ( 8.230 -1.238 -1.746) 8.504 5.613 ( 5.582 9.014 -10.947) 15.240 6.018 ( -5.058 5.538 0.339) 7.508 6.202 ( -1.805 -1.369 12.610) 12.812 6.406 ( -2.956 -1.091 4.290) 5.323 6.504 ( -3.777 -2.438 -0.488) 4.522 6.546 ( -1.167 0.303 -7.725) 7.818 6.887 ( 0.712 -1.124 -3.351) 3.605 6.994 ( -1.760 -1.411 -9.134) 9.408 7.092 ( 5.220 -2.452 -6.126) 8.413 7.382 ( 2.362 -4.696 0.216) 5.261 7.727 ( 6.235 -2.646 0.183) 6.776 7.886 ( -5.188 -0.992 -3.544) 6.361 8.321 ( -2.738 1.339 -3.452) 4.605 8.420 ( 4.338 -1.362 -4.058) 6.094 8.507 ( 1.534 3.782 1.732) 4.434 8.865 ( 2.114 3.020 -10.192) 10.839 9.190 ( -3.757 -4.715 9.824) 11.527 9.245 ( -1.495 3.241 6.952) 7.815 9.958 ( 2.757 -4.402 -8.606) 10.052 10.219 ( 3.494 4.637 -16.101) 17.116 12.449 ( 1.286 -4.003 -1.999) 4.655 12.577 ( 2.414 -0.769 -4.137) 4.851 12.987 ( 4.095 -0.322 1.661) 4.431 13.038 ( -4.418 -1.725 -5.318) 7.126 13.419 ( -1.738 -3.701 0.680) 4.145 13.532 ( 3.030 -2.834 -2.125) 4.661 14.019 ( -1.788 2.436 5.292) 6.094 14.243 ( 0.633 1.035 -0.723) 1.412 14.751 ( -2.480 3.138 9.809) 10.593 15.316 ( 2.236 2.105 -8.954) 9.466 16.974 ( -2.388 0.003 11.603) 11.846 17.445 ( -9.442 -3.305 11.769) 15.446 17.634 ( 5.864 -1.943 -2.776) 6.772 18.131 ( -3.086 -0.503 -5.371) 6.215 18.518 ( -0.883 0.134 -1.180) 1.479 18.558 ( 4.701 -0.925 -3.164) 5.742 18.719 ( -0.516 1.385 5.074) 5.285 19.160 ( 2.597 4.219 -8.728) 10.036 20.594 ( -2.525 -0.180 17.550) 17.732 20.929 ( -6.381 -5.537 18.433) 20.277 21.356 ( 2.055 2.257 -6.888) 7.534 21.880 ( 2.280 -1.310 -13.165) 13.425 22.166 ( -2.031 -1.946 8.672) 9.117 22.695 ( 2.600 1.908 -7.198) 7.887 23.587 ( -1.747 -2.941 3.818) 5.126 23.781 ( -0.199 1.201 -1.726) 2.112 24.121 ( -3.432 7.273 -6.325) 10.231 24.162 ( 6.366 -1.114 -3.250) 7.234 ======================= Grid point 173 (91/128) ======================= q-point: (-0.57 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -11.588 -0.000 14.596) 18.637 1.764 ( -5.659 -0.000 6.265) 8.442 2.011 ( -2.639 -0.000 8.866) 9.250 2.254 ( -7.259 -0.000 6.854) 9.983 2.395 ( 0.379 0.000 3.226) 3.249 2.635 ( -5.269 -0.000 -5.282) 7.461 2.734 ( 6.158 0.000 4.426) 7.583 2.972 ( 13.395 0.000 13.853) 19.270 3.143 ( -8.776 -0.000 7.421) 11.493 3.160 ( 15.860 0.000 -3.694) 16.285 3.334 ( -11.601 -0.000 -3.183) 12.030 3.509 ( -0.915 -0.000 -0.850) 1.249 3.548 ( 0.236 0.000 1.497) 1.516 3.949 ( 0.336 0.000 -1.334) 1.375 4.006 ( -1.390 -0.000 -4.583) 4.789 4.112 ( -6.807 -0.000 10.881) 12.835 4.203 ( -8.923 -0.000 -2.409) 9.242 4.482 ( -0.765 -0.000 14.828) 14.848 4.591 ( 8.495 0.000 -9.170) 12.500 4.908 ( -0.673 -0.000 3.309) 3.376 4.921 ( 3.100 0.000 -5.257) 6.102 5.286 ( 0.998 0.000 27.041) 27.060 5.380 ( -6.325 -0.000 7.261) 9.629 5.573 ( -6.362 -0.000 -9.106) 11.108 5.788 ( -7.349 -0.000 18.500) 19.907 5.894 ( 9.182 0.000 -8.608) 12.586 6.163 ( -7.420 -0.000 30.200) 31.099 6.397 ( 3.066 0.000 -3.875) 4.941 6.608 ( -1.622 -0.000 -8.607) 8.759 6.660 ( 20.125 0.000 3.241) 20.384 7.013 ( 4.528 0.000 -4.465) 6.359 7.128 ( -7.862 -0.000 -10.438) 13.067 7.150 ( -5.222 -0.000 5.211) 7.377 7.516 ( 9.993 0.000 -12.450) 15.964 7.664 ( -5.061 -0.000 3.692) 6.264 7.836 ( -3.466 -0.000 2.293) 4.155 8.167 ( -0.243 -0.000 -4.714) 4.720 8.448 ( 0.532 0.000 2.039) 2.107 8.729 ( 1.045 0.000 -1.593) 1.905 8.776 ( -5.331 -0.000 12.640) 13.718 8.788 ( 6.925 0.000 -13.104) 14.821 9.445 ( -4.315 -0.000 14.359) 14.993 9.651 ( 0.006 0.000 -18.615) 18.615 10.335 ( 6.806 0.000 -14.032) 15.595 12.380 ( -5.695 -0.000 -5.752) 8.094 12.699 ( 0.391 0.000 -6.352) 6.364 12.983 ( -1.095 -0.000 -0.212) 1.115 13.025 ( 3.758 0.000 -0.179) 3.762 13.360 ( -2.611 -0.000 -1.267) 2.902 13.529 ( -5.453 -0.000 -3.470) 6.464 13.845 ( 0.356 0.000 4.763) 4.776 14.066 ( 0.273 0.000 -2.415) 2.431 14.964 ( 1.345 0.000 11.760) 11.836 15.505 ( 3.708 0.000 -5.425) 6.571 16.964 ( -4.008 -0.000 10.650) 11.379 17.236 ( -1.129 -0.000 18.359) 18.394 17.572 ( 0.569 0.000 -8.537) 8.556 18.139 ( -2.015 -0.000 -6.641) 6.940 18.533 ( 0.850 0.000 -1.064) 1.362 18.569 ( -0.634 -0.000 -2.046) 2.142 18.675 ( 1.201 0.000 6.837) 6.941 19.303 ( 4.422 0.000 -11.386) 12.215 20.626 ( -7.897 -0.000 16.914) 18.667 21.252 ( 3.264 0.000 -7.101) 7.815 21.296 ( 0.119 0.000 9.044) 9.044 21.765 ( -0.399 -0.000 -3.261) 3.285 22.275 ( -2.107 -0.000 9.687) 9.914 22.856 ( 3.891 0.000 -6.762) 7.801 23.523 ( 1.275 0.000 -0.541) 1.385 23.598 ( -2.198 -0.000 0.345) 2.225 23.852 ( 1.229 0.000 3.318) 3.539 24.281 ( 1.352 0.000 -9.175) 9.274 ======================= Grid point 174 (92/128) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -3.725 2.671 14.406) 15.117 1.683 ( -8.361 2.539 9.536) 12.934 2.024 ( -0.968 -1.843 3.995) 4.505 2.172 ( -13.897 -0.005 3.210) 14.263 2.415 ( -2.416 -0.032 4.490) 5.099 2.603 ( -2.076 -3.291 -2.198) 4.469 2.793 ( 6.300 2.506 4.323) 8.041 3.045 ( -1.334 -0.689 1.282) 1.975 3.127 ( 13.374 10.280 10.245) 19.736 3.222 ( -12.625 -11.268 7.802) 18.634 3.318 ( 5.063 4.955 -3.377) 7.848 3.457 ( 1.444 -3.026 -2.121) 3.967 3.710 ( 1.749 -11.159 4.863) 12.298 3.897 ( 1.239 8.729 -3.098) 9.345 3.994 ( -8.024 -3.664 3.255) 9.403 4.011 ( -8.448 -4.574 -0.182) 9.608 4.250 ( 0.415 -6.688 2.849) 7.281 4.473 ( -4.965 1.763 14.220) 15.164 4.689 ( 7.550 -3.098 -7.051) 10.785 4.887 ( -2.188 2.799 3.744) 5.162 4.937 ( 1.974 -0.336 -3.208) 3.781 5.269 ( -4.024 5.204 15.214) 16.575 5.397 ( 1.403 -0.938 8.181) 8.353 5.524 ( -5.742 -5.615 -6.561) 10.370 5.703 ( -5.832 8.295 15.528) 18.546 5.992 ( 6.636 -3.164 2.394) 7.732 6.160 ( -7.807 -0.490 22.390) 23.717 6.414 ( 2.994 1.326 -2.388) 4.052 6.584 ( 0.578 -0.645 -6.353) 6.412 6.850 ( 13.891 2.068 1.012) 14.081 7.001 ( 0.038 2.942 -9.877) 10.306 7.011 ( -1.782 3.019 -7.268) 8.069 7.106 ( -0.886 2.271 6.598) 7.034 7.486 ( -1.912 8.699 0.353) 8.913 7.658 ( 4.351 -1.559 -5.706) 7.343 7.832 ( -0.365 -1.353 1.291) 1.905 8.170 ( -3.049 -4.482 -7.523) 9.273 8.442 ( 1.330 2.402 4.054) 4.896 8.686 ( 0.673 4.041 -4.604) 6.163 8.810 ( -3.754 -6.883 10.398) 13.022 8.867 ( 4.637 -3.472 -10.567) 12.050 9.419 ( -3.920 2.140 10.871) 11.752 9.658 ( 2.215 -5.340 -14.003) 15.150 10.354 ( 5.529 1.036 -14.024) 15.110 12.324 ( -4.017 -1.235 -2.386) 4.832 12.652 ( -1.229 2.129 -7.350) 7.750 12.985 ( 0.068 -0.591 0.160) 0.616 13.079 ( 4.876 0.053 -1.072) 4.993 13.321 ( 0.304 1.768 0.372) 1.832 13.464 ( -5.189 -0.518 -3.686) 6.386 13.891 ( -0.460 -3.615 4.475) 5.771 14.090 ( -0.419 -3.950 -2.216) 4.548 14.973 ( -0.066 3.721 11.092) 11.700 15.499 ( 1.911 2.626 -5.918) 6.750 16.958 ( -3.182 -0.315 10.880) 11.340 17.302 ( 1.061 -1.747 18.630) 18.742 17.557 ( 0.891 -0.186 -8.191) 8.241 18.113 ( -0.754 -1.135 -7.533) 7.656 18.530 ( 0.526 0.722 -0.869) 1.246 18.550 ( -0.354 0.671 -1.621) 1.790 18.715 ( 0.551 -0.919 6.324) 6.414 19.302 ( 2.802 0.985 -11.868) 12.234 20.589 ( -7.880 -0.308 16.430) 18.225 21.179 ( -0.666 9.271 4.517) 10.335 21.362 ( 4.778 -1.513 0.715) 5.062 21.770 ( 0.040 -2.523 -6.024) 6.531 22.252 ( -2.260 3.302 9.859) 10.639 22.849 ( 2.310 2.724 -8.105) 8.857 23.495 ( 0.507 1.970 2.624) 3.320 23.663 ( 0.098 -6.376 -1.789) 6.623 23.906 ( 1.629 -4.433 2.760) 5.471 24.267 ( -0.375 -0.516 -9.058) 9.080 ======================= Grid point 175 (93/128) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 2.925 -2.313 13.241) 13.756 1.632 ( -2.959 -3.572 7.657) 8.953 1.911 ( -18.225 2.543 -3.787) 18.787 2.128 ( -1.711 -4.212 4.498) 6.395 2.395 ( -2.897 -0.600 5.338) 6.103 2.609 ( -0.682 2.399 0.282) 2.510 2.800 ( 2.718 4.449 3.885) 6.502 3.096 ( 7.313 1.649 0.329) 7.504 3.121 ( -2.990 2.893 -1.591) 4.454 3.142 ( 7.267 7.201 1.740) 10.377 3.440 ( 1.063 -6.116 3.766) 7.261 3.530 ( -4.218 -10.484 4.271) 12.081 3.702 ( -4.019 5.806 1.449) 7.209 3.881 ( -4.380 -5.125 9.580) 11.714 3.989 ( -7.116 -4.685 10.427) 13.465 4.133 ( -0.936 -12.357 -4.782) 13.283 4.332 ( 0.050 -0.106 7.379) 7.380 4.414 ( -4.811 1.392 10.703) 11.817 4.754 ( -3.292 -2.381 -1.862) 4.469 4.812 ( -1.027 5.285 6.890) 8.744 4.961 ( 6.220 0.609 -2.620) 6.777 5.259 ( -1.934 -2.657 14.609) 14.974 5.419 ( -2.592 0.702 6.031) 6.602 5.530 ( -4.861 1.035 2.316) 5.483 5.576 ( 2.801 1.836 -1.268) 3.581 6.113 ( -10.927 -0.991 31.140) 33.016 6.142 ( 6.312 -3.310 -8.994) 11.476 6.403 ( 4.302 3.507 -4.178) 6.947 6.584 ( -0.017 1.608 -3.984) 4.296 6.817 ( 4.235 10.067 -6.968) 12.955 6.890 ( -3.590 3.075 -6.170) 7.773 6.974 ( -2.290 1.339 -0.263) 2.666 7.141 ( 7.941 3.131 3.604) 9.265 7.329 ( -2.081 5.101 2.692) 6.131 7.717 ( 6.985 -0.292 -6.023) 9.228 7.851 ( -1.571 -0.855 -0.271) 1.809 8.192 ( -3.355 -6.175 -8.321) 10.891 8.450 ( 3.141 1.172 3.031) 4.520 8.613 ( -0.691 3.546 -3.952) 5.354 8.904 ( 2.678 -1.603 -11.921) 12.323 8.942 ( -1.571 -8.367 10.854) 13.795 9.363 ( -3.414 3.134 6.303) 7.823 9.764 ( 3.950 -7.553 -8.945) 12.356 10.338 ( 3.961 2.609 -14.235) 15.005 12.327 ( -1.175 -3.165 0.301) 3.389 12.594 ( -0.631 1.262 -6.787) 6.932 12.983 ( -2.012 -0.292 -1.378) 2.456 13.091 ( 4.510 3.954 -1.107) 6.100 13.344 ( 1.877 -1.246 1.230) 2.567 13.434 ( -1.401 -2.889 -3.711) 4.908 13.957 ( -1.272 -4.327 4.980) 6.719 14.155 ( -0.383 -5.370 -1.393) 5.561 14.916 ( -1.711 6.082 10.105) 11.918 15.437 ( 0.662 4.492 -7.193) 8.507 16.965 ( -2.596 -0.495 11.180) 11.488 17.384 ( -0.808 -0.893 16.734) 16.778 17.572 ( 4.660 -1.668 -5.660) 7.519 18.105 ( -1.211 -1.287 -7.516) 7.721 18.526 ( 0.538 0.322 -0.756) 0.982 18.539 ( 0.960 0.038 -2.484) 2.664 18.739 ( -0.680 -0.102 5.970) 6.009 19.266 ( 1.219 2.182 -11.724) 11.987 20.568 ( -7.038 -1.414 16.565) 18.054 21.021 ( -3.676 10.122 12.294) 16.344 21.414 ( 4.158 0.889 -2.826) 5.105 21.808 ( 2.668 -3.266 -9.988) 10.842 22.197 ( -2.382 3.657 9.684) 10.622 22.787 ( 0.995 3.907 -8.920) 9.789 23.508 ( 0.322 -1.331 4.450) 4.656 23.741 ( 0.866 -3.771 -1.817) 4.275 24.031 ( 3.660 -7.033 0.134) 7.929 24.231 ( -2.267 0.666 -8.364) 8.691 ======================= Grid point 176 (94/128) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 2.221 -2.161 11.878) 12.276 1.684 ( -14.729 0.111 -1.266) 14.784 1.820 ( 3.243 -11.358 1.744) 11.940 2.200 ( -1.337 -6.334 3.974) 7.596 2.415 ( -0.910 -2.715 5.701) 6.380 2.511 ( -2.565 7.522 1.000) 8.010 2.747 ( 2.770 7.633 2.060) 8.378 2.949 ( -4.045 6.549 -4.416) 8.874 3.149 ( 12.324 6.743 5.297) 15.014 3.210 ( 1.239 -4.504 -8.904) 10.055 3.471 ( 3.307 2.161 -1.117) 4.106 3.526 ( -5.340 -1.725 -4.246) 7.037 3.786 ( -2.421 -0.938 15.956) 16.166 3.919 ( -7.415 -7.804 17.280) 20.359 4.009 ( -7.851 -5.660 12.946) 16.164 4.151 ( -2.655 6.446 3.379) 7.747 4.348 ( -7.148 -9.119 9.314) 14.866 4.492 ( 4.345 -5.770 7.122) 10.144 4.707 ( -3.957 2.760 3.971) 6.248 4.744 ( -1.939 3.349 -0.888) 3.971 5.031 ( 6.401 1.307 5.923) 8.818 5.270 ( -5.392 3.707 16.318) 17.581 5.360 ( -6.977 -0.408 14.800) 16.368 5.594 ( 8.390 -5.185 -3.747) 10.551 5.620 ( 3.141 -4.271 -13.936) 14.911 6.021 ( -10.484 2.378 8.790) 13.886 6.249 ( 5.315 1.181 2.237) 5.886 6.370 ( 1.833 4.393 -6.387) 7.966 6.481 ( -6.115 2.933 6.357) 9.296 6.666 ( 3.775 11.566 -5.518) 13.359 6.861 ( 0.280 -2.500 -5.778) 6.302 6.925 ( -3.786 0.390 2.179) 4.386 7.123 ( 2.768 3.085 -1.376) 4.367 7.357 ( 3.657 -2.953 -0.648) 4.745 7.778 ( 4.981 -1.106 -8.580) 9.983 7.811 ( -3.272 1.211 0.894) 3.602 8.250 ( -0.656 -5.214 -4.580) 6.970 8.457 ( 2.155 1.848 -3.238) 4.307 8.565 ( 0.081 1.511 2.077) 2.569 8.894 ( 2.516 1.279 -12.599) 12.911 9.090 ( -1.419 -7.841 10.868) 13.476 9.290 ( -3.251 3.689 5.668) 7.504 9.893 ( 4.317 -5.891 -8.053) 10.872 10.279 ( 2.714 4.223 -15.058) 15.873 12.392 ( 1.343 -4.586 0.903) 4.863 12.570 ( 0.339 -0.587 -6.220) 6.257 12.945 ( -3.870 -0.168 -3.918) 5.510 13.078 ( 4.488 3.323 0.669) 5.624 13.355 ( -2.599 -1.616 -0.440) 3.092 13.509 ( 3.822 -3.857 -2.165) 5.845 14.017 ( -0.729 -2.621 5.563) 6.192 14.223 ( 0.049 -3.594 -0.448) 3.622 14.823 ( -3.021 5.841 9.295) 11.386 15.358 ( 1.319 3.642 -8.357) 9.211 16.978 ( -2.392 -0.467 11.459) 11.715 17.389 ( -4.173 1.080 11.720) 12.488 17.668 ( 7.266 -1.934 -1.187) 7.612 18.078 ( -2.398 -0.528 -5.294) 5.836 18.513 ( -0.595 0.720 -1.320) 1.617 18.566 ( 2.345 -1.553 -3.770) 4.704 18.740 ( -1.202 0.545 5.217) 5.381 19.207 ( 1.151 2.536 -10.408) 10.774 20.575 ( -6.177 -2.465 16.973) 18.230 20.906 ( -4.316 3.688 17.304) 18.211 21.405 ( 2.302 2.866 -5.388) 6.523 21.852 ( 3.630 -1.642 -12.528) 13.146 22.160 ( -2.246 1.052 9.269) 9.595 22.726 ( 1.431 2.133 -8.370) 8.755 23.545 ( -0.892 -1.728 4.482) 4.886 23.789 ( 2.068 -1.148 -1.038) 2.584 24.146 ( -3.553 3.312 -6.910) 8.446 24.170 ( 4.732 -4.719 -3.114) 7.373 ======================= Grid point 181 (95/128) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.134 -0.000 13.807) 13.808 1.648 ( -10.331 -0.000 14.708) 17.974 2.029 ( 1.300 0.000 2.410) 2.738 2.032 ( -16.736 -0.000 5.707) 17.683 2.419 ( -0.392 -0.000 4.971) 4.986 2.529 ( -2.192 -0.000 -1.474) 2.642 2.911 ( 7.302 0.000 3.734) 8.201 2.921 ( -10.741 -0.000 11.105) 15.449 3.090 ( -5.504 -0.000 4.937) 7.394 3.325 ( 3.477 0.000 4.391) 5.601 3.461 ( 9.159 0.000 0.703) 9.186 3.462 ( 1.753 0.000 -3.915) 4.290 3.617 ( 5.136 0.000 6.733) 8.468 3.804 ( -14.659 -0.000 -7.525) 16.477 3.925 ( -0.267 -0.000 4.101) 4.110 4.094 ( 1.547 0.000 -1.495) 2.151 4.152 ( 2.434 0.000 3.562) 4.315 4.452 ( -8.716 -0.000 15.772) 18.020 4.721 ( 6.552 0.000 -11.380) 13.131 4.838 ( -8.773 -0.000 4.980) 10.088 4.968 ( 3.405 0.000 -5.784) 6.712 5.331 ( -1.767 -0.000 12.101) 12.230 5.354 ( -5.927 -0.000 -11.004) 12.499 5.478 ( 3.675 0.000 16.787) 17.185 5.775 ( -3.615 -0.000 16.559) 16.949 6.027 ( 6.304 0.000 -4.806) 7.926 6.113 ( -12.454 -0.000 24.472) 27.459 6.421 ( -1.084 -0.000 -2.133) 2.392 6.581 ( 2.860 0.000 -5.218) 5.950 6.947 ( -0.939 -0.000 7.931) 7.986 6.949 ( -1.779 -0.000 -12.616) 12.741 7.059 ( 3.223 0.000 -7.842) 8.479 7.208 ( 13.133 0.000 6.237) 14.539 7.572 ( -4.422 -0.000 2.921) 5.300 7.648 ( 7.931 0.000 -11.857) 14.265 7.842 ( 1.803 0.000 4.526) 4.872 8.072 ( -4.001 -0.000 -7.518) 8.517 8.494 ( 1.452 0.000 3.915) 4.176 8.675 ( -5.668 -0.000 1.291) 5.813 8.760 ( -1.888 -0.000 8.242) 8.455 8.853 ( 6.067 0.000 -15.848) 16.969 9.429 ( -4.638 -0.000 13.882) 14.636 9.609 ( 5.507 0.000 -16.264) 17.171 10.375 ( 4.406 0.000 -14.350) 15.011 12.278 ( -2.258 -0.000 1.150) 2.534 12.617 ( -3.211 -0.000 -8.693) 9.267 12.988 ( 0.659 0.000 0.601) 0.892 13.144 ( 7.389 0.000 -2.046) 7.667 13.346 ( 1.344 0.000 1.089) 1.729 13.390 ( -5.561 -0.000 -3.112) 6.373 13.876 ( 0.134 0.000 4.346) 4.348 14.043 ( -0.991 -0.000 -2.424) 2.618 15.023 ( -1.751 -0.000 10.304) 10.452 15.514 ( 0.061 0.000 -5.525) 5.525 16.955 ( -2.661 -0.000 10.999) 11.316 17.372 ( 4.656 0.000 18.750) 19.320 17.547 ( 1.768 0.000 -8.131) 8.321 18.079 ( 0.176 0.000 -8.146) 8.148 18.536 ( 0.206 0.000 -0.397) 0.447 18.543 ( -0.773 -0.000 -2.274) 2.402 18.731 ( 0.041 0.000 6.495) 6.495 19.295 ( 0.978 0.000 -12.816) 12.853 20.541 ( -8.555 -0.000 15.667) 17.851 21.295 ( 4.074 0.000 -5.881) 7.155 21.397 ( 4.077 0.000 10.310) 11.086 21.719 ( -1.733 -0.000 -4.641) 4.954 22.285 ( -2.129 -0.000 9.942) 10.168 22.868 ( 0.908 0.000 -8.074) 8.125 23.564 ( -1.029 -0.000 -0.330) 1.081 23.579 ( 4.103 0.000 -0.062) 4.103 23.883 ( -0.176 -0.000 3.748) 3.752 24.228 ( -1.530 -0.000 -9.023) 9.151 ======================= Grid point 182 (96/128) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -7.919 0.385 14.393) 16.432 1.594 ( 5.705 -1.769 11.178) 12.674 1.819 ( -14.224 5.482 5.039) 16.055 2.080 ( 0.450 -3.078 3.073) 4.372 2.396 ( -1.198 2.136 4.079) 4.758 2.591 ( 0.745 -5.155 1.319) 5.373 2.890 ( 0.736 2.158 5.205) 5.683 3.028 ( -9.529 -9.838 14.719) 20.105 3.085 ( 3.759 -3.287 1.160) 5.127 3.237 ( -3.990 7.834 -4.793) 10.013 3.404 ( 1.756 2.820 6.823) 7.589 3.580 ( 6.441 2.017 2.741) 7.284 3.624 ( -11.414 -0.298 -4.714) 12.353 3.821 ( 2.797 -10.848 0.770) 11.229 3.958 ( -1.105 3.441 8.769) 9.484 4.010 ( 3.661 -0.065 -1.466) 3.944 4.298 ( 0.802 -8.039 2.868) 8.573 4.383 ( -9.861 1.664 14.490) 17.606 4.683 ( -5.731 1.459 -2.085) 6.270 4.834 ( -0.588 -3.005 -2.200) 3.771 4.992 ( 2.966 -3.794 -5.667) 7.437 5.252 ( -0.582 3.236 1.511) 3.619 5.385 ( -2.295 -2.176 5.888) 6.683 5.532 ( 1.409 2.716 10.254) 10.701 5.720 ( -0.723 6.950 9.564) 11.845 6.041 ( -13.728 -0.452 22.342) 26.227 6.110 ( 3.731 -5.053 -2.435) 6.736 6.407 ( -3.823 -2.482 -0.381) 4.574 6.612 ( 5.385 0.325 -7.886) 9.555 6.888 ( 2.007 3.748 -10.944) 11.741 6.922 ( -4.676 2.419 9.956) 11.262 7.033 ( 2.759 4.426 -6.455) 8.299 7.337 ( 13.217 3.807 0.168) 13.755 7.434 ( -2.175 11.447 3.293) 12.108 7.718 ( 2.901 -2.970 -10.352) 11.153 7.872 ( 2.533 1.433 4.908) 5.706 8.061 ( -0.943 -4.697 -5.937) 7.629 8.494 ( 0.683 1.089 3.233) 3.480 8.613 ( -5.720 0.938 -2.948) 6.502 8.821 ( 0.155 -6.498 7.818) 10.167 8.885 ( 3.170 -2.410 -12.822) 13.425 9.392 ( -3.987 2.675 9.843) 10.951 9.688 ( 7.079 -5.691 -11.484) 14.642 10.365 ( 2.983 1.317 -14.600) 14.959 12.289 ( 0.487 -1.782 4.053) 4.455 12.562 ( -2.525 -0.187 -8.008) 8.398 12.979 ( -0.356 1.742 -0.676) 1.902 13.192 ( 5.223 2.213 -3.495) 6.663 13.336 ( -2.908 0.121 -0.873) 3.038 13.392 ( 4.270 -2.542 0.970) 5.063 13.906 ( -0.637 -2.504 4.398) 5.100 14.064 ( -0.781 -4.675 -1.850) 5.088 14.992 ( -3.666 3.718 9.312) 10.676 15.472 ( -1.163 2.515 -6.184) 6.777 16.962 ( -2.587 -0.391 11.175) 11.478 17.457 ( 3.884 2.936 12.842) 13.734 17.583 ( 6.195 -3.143 -2.048) 7.242 18.066 ( 0.324 -0.365 -8.045) 8.060 18.530 ( -0.512 -0.496 -2.970) 3.054 18.534 ( 0.265 0.455 -0.287) 0.600 18.744 ( -1.282 -0.137 6.031) 6.168 19.254 ( -0.987 0.570 -12.952) 13.002 20.506 ( -8.138 -1.452 15.932) 17.949 21.213 ( 1.328 12.116 4.898) 13.136 21.460 ( 3.096 1.079 1.569) 3.635 21.746 ( 1.870 -5.393 -6.593) 8.721 22.259 ( -2.209 3.572 9.599) 10.477 22.818 ( -0.886 3.036 -8.696) 9.253 23.530 ( 1.278 1.402 2.004) 2.759 23.687 ( 3.313 -5.171 -1.487) 6.319 23.943 ( 0.464 -6.817 2.253) 7.195 24.184 ( -2.811 -0.118 -8.417) 8.875 ======================= Grid point 183 (97/128) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -10.675 -2.469 9.562) 14.542 1.680 ( 2.829 3.081 8.199) 9.205 1.775 ( 9.676 -5.814 6.369) 12.961 2.136 ( -0.711 -3.145 4.502) 5.538 2.388 ( -1.021 -1.091 4.909) 5.131 2.592 ( -1.231 5.706 0.037) 5.837 2.857 ( 1.230 3.802 1.345) 4.216 2.997 ( -5.483 6.809 2.226) 9.021 3.147 ( 0.446 -3.799 -7.025) 7.999 3.273 ( -2.516 -12.277 1.915) 12.678 3.356 ( -3.931 3.883 0.945) 5.606 3.594 ( 3.434 -0.274 4.191) 5.425 3.623 ( -6.074 -8.865 14.857) 18.336 3.832 ( -2.347 5.037 10.262) 11.670 3.974 ( -2.796 -0.653 6.885) 7.459 4.106 ( 0.854 -7.588 -6.564) 10.069 4.277 ( -7.668 3.313 12.446) 14.989 4.441 ( 0.442 -8.334 6.303) 10.458 4.644 ( -3.752 -3.063 2.075) 5.269 4.819 ( 0.228 3.468 3.176) 4.707 5.127 ( 5.358 -4.870 -1.341) 7.363 5.257 ( -0.149 -4.393 1.404) 4.614 5.348 ( -6.053 4.981 15.874) 17.704 5.487 ( -2.574 2.264 -0.675) 3.493 5.678 ( 2.464 0.581 -0.294) 2.548 5.960 ( -9.566 1.377 16.069) 18.751 6.236 ( 1.136 -6.793 5.046) 8.538 6.417 ( -3.131 -3.784 -1.625) 5.173 6.570 ( 4.813 10.733 -11.019) 16.118 6.823 ( -3.231 7.587 2.523) 8.624 6.847 ( 5.478 2.290 -10.927) 12.436 6.971 ( 1.017 4.613 4.105) 6.258 7.251 ( -1.015 10.111 3.415) 10.721 7.378 ( 6.164 2.338 -3.948) 7.684 7.710 ( -4.301 -0.206 -6.219) 7.564 7.893 ( 6.606 2.208 -1.083) 7.049 8.154 ( 1.996 -6.712 -1.116) 7.091 8.488 ( -0.518 2.256 -3.915) 4.548 8.550 ( -3.681 -2.073 2.065) 4.702 8.883 ( 2.773 -1.131 -15.688) 15.972 8.994 ( 0.746 -8.182 10.861) 13.619 9.328 ( -3.478 3.564 7.659) 9.136 9.831 ( 6.659 -6.335 -9.105) 12.938 10.316 ( 1.700 2.914 -15.054) 15.427 12.358 ( 2.648 -3.117 4.417) 6.020 12.532 ( -1.198 -1.079 -6.980) 7.164 12.927 ( -1.570 2.656 -2.737) 4.124 13.182 ( 3.554 3.725 -1.178) 5.282 13.312 ( -1.528 -0.508 -0.565) 1.706 13.497 ( 5.171 -2.962 -0.626) 5.992 13.966 ( -0.713 -4.617 4.899) 6.769 14.145 ( 0.096 -6.146 -0.836) 6.204 14.896 ( -5.056 5.611 8.566) 11.420 15.395 ( -0.602 3.231 -7.486) 8.176 16.973 ( -2.828 -0.654 11.368) 11.733 17.446 ( 1.380 4.404 7.133) 8.495 17.720 ( 8.004 -1.991 2.681) 8.673 18.046 ( 0.194 0.130 -5.784) 5.789 18.515 ( -0.992 0.627 -2.550) 2.808 18.545 ( 0.706 -1.540 -2.396) 2.934 18.740 ( -2.240 0.086 5.325) 5.777 19.197 ( -1.405 0.232 -11.460) 11.549 20.505 ( -7.141 -2.908 16.811) 18.495 21.040 ( -1.759 11.913 14.252) 18.658 21.446 ( 0.363 2.087 -3.832) 4.379 21.835 ( 5.383 -2.955 -10.607) 12.256 22.201 ( -2.225 3.782 9.278) 10.263 22.740 ( -0.823 2.151 -8.239) 8.555 23.544 ( 1.000 -0.057 3.279) 3.429 23.783 ( 3.740 -3.107 -0.966) 4.957 24.089 ( 2.073 -9.042 -2.155) 9.524 24.122 ( -3.595 0.857 -7.174) 8.070 ======================= Grid point 189 (98/128) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -9.862 -0.000 20.733) 22.959 1.642 ( -6.206 -0.000 14.149) 15.450 1.776 ( 2.505 0.000 7.098) 7.527 2.073 ( 1.955 0.000 0.060) 1.956 2.451 ( 2.352 0.000 0.346) 2.377 2.523 ( 0.083 0.000 3.254) 3.255 2.871 ( -3.879 -0.000 22.110) 22.448 3.038 ( -3.025 -0.000 7.019) 7.643 3.039 ( 2.943 0.000 -0.631) 3.010 3.318 ( -2.566 -0.000 0.939) 2.733 3.337 ( -9.385 -0.000 0.124) 9.386 3.504 ( -6.143 -0.000 -8.586) 10.557 3.732 ( 12.562 0.000 0.089) 12.562 3.732 ( 2.839 0.000 2.287) 3.645 3.984 ( -2.257 -0.000 10.794) 11.028 4.134 ( 1.172 0.000 0.886) 1.469 4.144 ( -5.892 -0.000 -0.730) 5.937 4.348 ( -7.674 -0.000 15.365) 17.175 4.703 ( 0.468 0.000 -16.711) 16.717 4.719 ( -2.240 -0.000 7.868) 8.181 4.931 ( -2.899 -0.000 -6.694) 7.295 5.341 ( -5.828 -0.000 16.621) 17.613 5.346 ( 8.876 0.000 -7.376) 11.541 5.612 ( 0.617 0.000 10.235) 10.254 5.752 ( -8.130 -0.000 4.520) 9.303 5.993 ( -6.529 -0.000 28.726) 29.459 6.058 ( -3.532 -0.000 -3.429) 4.923 6.329 ( -3.172 -0.000 -1.492) 3.506 6.660 ( 7.710 0.000 -10.025) 12.647 6.924 ( -5.391 -0.000 17.461) 18.274 6.927 ( 4.880 0.000 -12.677) 13.584 7.078 ( 3.179 0.000 -7.546) 8.188 7.412 ( -1.008 -0.000 -6.983) 7.055 7.644 ( 12.292 0.000 7.280) 14.286 7.651 ( -1.306 -0.000 -13.176) 13.240 7.940 ( 4.310 0.000 6.176) 7.531 8.021 ( 3.303 0.000 -4.609) 5.670 8.514 ( -10.124 -0.000 1.372) 10.217 8.515 ( -1.306 -0.000 1.256) 1.811 8.797 ( 0.876 0.000 9.735) 9.775 8.856 ( 3.261 0.000 -17.459) 17.761 9.397 ( -5.430 -0.000 12.661) 13.776 9.700 ( 10.399 0.000 -13.576) 17.101 10.360 ( 1.748 0.000 -15.001) 15.102 12.313 ( 3.543 0.000 7.153) 7.982 12.511 ( -2.184 -0.000 -7.126) 7.453 13.001 ( 0.659 0.000 -0.410) 0.776 13.199 ( -1.803 -0.000 -7.447) 7.663 13.366 ( 5.974 0.000 0.813) 6.029 13.418 ( 3.905 0.000 3.424) 5.194 13.893 ( -0.902 -0.000 3.826) 3.931 14.007 ( -1.168 -0.000 -1.942) 2.266 14.996 ( -5.746 -0.000 8.375) 10.157 15.454 ( -2.485 -0.000 -6.077) 6.566 16.961 ( -2.820 -0.000 11.210) 11.559 17.564 ( 3.912 0.000 -7.699) 8.636 17.638 ( 10.886 0.000 17.323) 20.459 18.054 ( 1.774 0.000 -8.375) 8.561 18.502 ( -2.175 -0.000 -3.171) 3.845 18.542 ( 0.490 0.000 -0.011) 0.490 18.741 ( -2.177 -0.000 5.704) 6.106 19.197 ( -3.604 -0.000 -13.004) 13.494 20.457 ( -7.265 -0.000 16.370) 17.910 21.348 ( 3.498 0.000 -5.039) 6.134 21.561 ( 6.122 0.000 8.082) 10.139 21.656 ( -1.483 -0.000 -4.599) 4.833 22.292 ( -2.270 -0.000 9.124) 9.402 22.801 ( -2.867 -0.000 -8.697) 9.158 23.553 ( 0.339 0.000 -0.731) 0.805 23.687 ( 6.080 0.000 -0.205) 6.084 23.885 ( -1.585 -0.000 3.970) 4.274 24.127 ( -3.420 -0.000 -8.112) 8.803 ======================= Grid point 190 (99/128) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -7.016 0.436 18.383) 19.681 1.672 ( -6.620 -7.442 19.996) 22.339 1.898 ( 15.835 0.748 3.553) 16.246 2.105 ( 0.938 -1.532 -0.115) 1.800 2.405 ( -0.009 3.828 0.698) 3.891 2.628 ( 1.385 -4.321 1.829) 4.892 2.909 ( -1.748 5.187 -0.885) 5.545 2.956 ( -4.347 -6.853 17.134) 18.959 3.082 ( -8.004 9.533 -1.331) 12.518 3.184 ( 3.827 -6.176 2.033) 7.545 3.357 ( -3.654 1.065 0.824) 3.894 3.446 ( -5.270 -3.441 4.181) 7.556 3.717 ( 3.013 3.598 4.152) 6.266 3.919 ( 1.596 2.186 -0.195) 2.713 3.944 ( -3.334 -2.842 4.809) 6.505 4.015 ( -3.253 -0.476 1.864) 3.779 4.244 ( -4.942 -7.150 5.705) 10.397 4.313 ( -2.741 -1.308 8.234) 8.776 4.615 ( 0.006 1.227 1.389) 1.853 4.851 ( 3.942 -3.107 -1.977) 5.395 4.943 ( -0.457 -10.598 -7.872) 13.210 5.283 ( -4.717 2.724 13.036) 14.128 5.422 ( 3.939 1.885 0.151) 4.370 5.549 ( -5.177 6.616 6.605) 10.686 5.652 ( -8.084 1.102 5.180) 9.664 5.993 ( -2.426 1.775 16.097) 16.375 6.091 ( -5.535 -8.518 9.527) 13.927 6.336 ( 0.615 -2.203 -3.025) 3.792 6.699 ( 7.319 2.431 -11.205) 13.603 6.894 ( -2.422 2.852 6.637) 7.619 6.927 ( 4.604 2.936 -7.072) 8.935 7.055 ( 2.117 4.514 -4.304) 6.586 7.318 ( -4.263 4.910 -6.701) 9.337 7.540 ( 1.144 6.779 -9.138) 11.435 7.726 ( 5.044 6.224 3.882) 8.903 7.989 ( 5.907 2.009 0.159) 6.241 8.095 ( 4.128 -4.858 1.023) 6.456 8.437 ( -9.165 -3.311 1.783) 9.906 8.492 ( -1.681 0.148 -2.302) 2.854 8.847 ( 2.736 -1.308 -15.793) 16.082 8.913 ( 1.878 -7.757 9.731) 12.586 9.356 ( -4.988 2.119 10.969) 12.235 9.808 ( 9.805 -3.699 -11.641) 15.662 10.319 ( 0.502 1.384 -15.504) 15.574 12.389 ( 5.659 -0.427 6.769) 8.833 12.487 ( -0.557 -1.030 -5.739) 5.857 12.968 ( 0.115 4.082 -1.673) 4.413 13.188 ( -1.041 -2.690 -4.094) 5.008 13.369 ( 4.383 5.245 1.151) 6.932 13.519 ( 5.911 -2.671 0.943) 6.554 13.903 ( -1.995 -2.655 3.721) 4.987 14.046 ( -0.026 -6.097 -1.189) 6.211 14.923 ( -7.108 3.212 7.860) 11.073 15.397 ( -2.177 1.529 -6.861) 7.359 16.964 ( -3.091 -0.404 11.334) 11.755 17.556 ( 4.345 3.751 -3.193) 6.568 17.802 ( 8.254 0.258 9.737) 12.767 18.054 ( 3.740 -0.061 -6.352) 7.371 18.473 ( -3.424 -1.189 -3.818) 5.265 18.545 ( 0.663 0.280 -0.076) 0.723 18.728 ( -2.964 0.075 5.210) 5.994 19.127 ( -4.107 -1.247 -10.969) 11.779 20.449 ( -5.356 -1.599 17.227) 18.111 21.277 ( 1.994 12.836 4.329) 13.693 21.472 ( -2.131 5.504 -0.052) 5.902 21.799 ( 5.811 -7.355 -6.569) 11.446 22.263 ( -2.258 3.470 8.680) 9.617 22.726 ( -3.212 1.478 -7.516) 8.306 23.566 ( 1.675 -0.392 0.475) 1.785 23.777 ( 5.184 -2.972 -1.089) 6.074 23.946 ( -1.253 -8.604 1.293) 8.790 24.070 ( -3.403 -0.075 -7.238) 7.998 ======================= Grid point 197 (100/128) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -5.311 -0.000 23.581) 24.172 1.540 ( -7.636 -0.000 24.176) 25.353 2.087 ( 16.947 0.000 1.253) 16.993 2.104 ( 0.798 0.000 0.020) 0.798 2.512 ( -2.849 -0.000 1.099) 3.054 2.513 ( 3.566 0.000 -2.406) 4.302 2.942 ( 0.192 0.000 2.004) 2.013 3.014 ( -1.239 -0.000 -6.499) 6.616 3.015 ( -5.488 -0.000 25.921) 26.495 3.166 ( -6.458 -0.000 0.241) 6.462 3.316 ( 1.500 0.000 6.863) 7.025 3.432 ( 0.502 0.000 -3.929) 3.961 3.788 ( -11.447 -0.000 2.901) 11.809 3.816 ( -1.728 -0.000 -4.797) 5.099 3.959 ( 7.406 0.000 -0.996) 7.473 3.971 ( -11.323 -0.000 16.049) 19.642 4.157 ( 0.687 0.000 5.863) 5.903 4.352 ( 2.566 0.000 7.164) 7.610 4.617 ( 0.595 0.000 -15.075) 15.086 4.826 ( 4.600 0.000 10.061) 11.063 4.894 ( 4.280 0.000 -8.582) 9.590 5.266 ( -9.838 -0.000 15.814) 18.624 5.484 ( 5.329 0.000 -5.798) 7.875 5.513 ( -9.893 -0.000 8.870) 13.287 5.660 ( -4.719 -0.000 11.827) 12.733 5.856 ( -10.443 -0.000 -1.808) 10.598 6.132 ( 0.408 0.000 28.871) 28.874 6.335 ( 3.505 0.000 -4.732) 5.889 6.755 ( 7.293 0.000 -15.766) 17.371 6.894 ( -7.869 -0.000 14.041) 16.096 6.958 ( 5.296 0.000 -15.248) 16.141 7.121 ( 3.636 0.000 -4.392) 5.702 7.296 ( -2.618 -0.000 -9.620) 9.970 7.543 ( -0.869 -0.000 -10.047) 10.084 7.888 ( 5.165 0.000 3.620) 6.307 8.081 ( 5.788 0.000 3.043) 6.539 8.097 ( 4.087 0.000 -2.208) 4.645 8.308 ( -9.055 -0.000 5.434) 10.560 8.454 ( -3.364 -0.000 -3.497) 4.852 8.818 ( 2.158 0.000 -15.760) 15.907 8.888 ( 1.391 0.000 11.438) 11.522 9.349 ( -5.016 -0.000 12.504) 13.473 9.859 ( 10.946 0.000 -12.457) 16.583 10.284 ( -0.817 -0.000 -16.167) 16.187 12.464 ( 0.818 0.000 -4.413) 4.488 12.485 ( 8.218 0.000 5.307) 9.782 13.018 ( 1.223 0.000 -0.203) 1.240 13.135 ( 0.247 0.000 -3.419) 3.428 13.506 ( 6.409 0.000 -2.162) 6.764 13.526 ( 4.041 0.000 4.061) 5.729 13.874 ( -2.840 -0.000 3.052) 4.169 13.978 ( -0.589 -0.000 -1.473) 1.586 14.888 ( -8.172 -0.000 7.657) 11.199 15.365 ( -2.107 -0.000 -6.742) 7.064 16.959 ( -3.142 -0.000 11.434) 11.857 17.608 ( 3.884 0.000 -7.912) 8.814 17.935 ( 5.799 0.000 9.340) 10.994 18.067 ( 3.647 0.000 -6.904) 7.808 18.416 ( -2.745 -0.000 -1.513) 3.135 18.553 ( 0.425 0.000 -0.074) 0.431 18.709 ( -3.348 -0.000 4.893) 5.929 19.041 ( -3.782 -0.000 -8.602) 9.396 20.443 ( -2.651 -0.000 17.657) 17.855 21.367 ( 0.798 0.000 -5.814) 5.868 21.628 ( 1.133 0.000 -2.679) 2.908 21.696 ( 2.616 0.000 2.588) 3.680 22.290 ( -2.383 -0.000 8.004) 8.351 22.677 ( -3.921 -0.000 -6.064) 7.221 23.571 ( 1.706 0.000 -0.655) 1.828 23.800 ( 3.435 0.000 -2.005) 3.977 23.861 ( -2.745 -0.000 3.906) 4.774 24.022 ( -1.170 -0.000 -6.423) 6.528 ======================= Grid point 198 (101/128) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -4.221 -0.000 11.463) 12.215 1.976 ( 1.504 0.000 12.822) 12.910 2.091 ( -1.482 -0.000 3.744) 4.026 2.342 ( 2.881 0.000 -10.987) 11.358 2.449 ( 4.457 0.000 0.837) 4.535 2.459 ( 4.084 0.000 0.201) 4.089 2.622 ( -5.775 -0.000 -3.745) 6.883 2.714 ( -3.782 -0.000 -10.949) 11.584 3.183 ( -7.011 -0.000 6.567) 9.607 3.286 ( 4.998 0.000 -3.840) 6.303 3.425 ( 3.189 0.000 1.257) 3.428 3.451 ( -7.457 -0.000 -0.053) 7.457 3.872 ( 1.786 0.000 2.235) 2.861 3.919 ( 0.686 0.000 -4.014) 4.073 3.926 ( 2.284 0.000 24.110) 24.218 4.308 ( -1.283 -0.000 -11.371) 11.443 4.325 ( -7.719 -0.000 19.801) 21.252 4.389 ( -1.776 -0.000 3.219) 3.677 4.493 ( 8.594 0.000 -3.935) 9.452 4.696 ( 8.748 0.000 -16.788) 18.930 5.197 ( -2.040 -0.000 11.920) 12.093 5.366 ( -3.616 -0.000 14.559) 15.001 5.368 ( -0.410 -0.000 -6.175) 6.188 5.642 ( 0.389 0.000 -10.170) 10.177 5.789 ( -5.767 -0.000 18.023) 18.923 6.014 ( -5.224 -0.000 21.770) 22.388 6.152 ( 5.518 0.000 -17.464) 18.315 6.400 ( 6.392 0.000 -16.667) 17.851 6.529 ( -12.099 -0.000 3.751) 12.667 6.687 ( 9.688 0.000 -13.608) 16.705 6.956 ( -11.094 -0.000 23.491) 25.979 7.123 ( -0.809 -0.000 0.421) 0.911 7.175 ( 3.983 0.000 -4.038) 5.672 7.341 ( 4.114 0.000 -13.846) 14.444 7.951 ( -4.074 -0.000 3.542) 5.398 8.041 ( -0.146 -0.000 -5.015) 5.017 8.191 ( -2.785 -0.000 5.907) 6.530 8.296 ( 3.407 0.000 -4.669) 5.780 8.431 ( 3.154 0.000 4.421) 5.431 8.556 ( 0.504 0.000 -8.790) 8.804 9.255 ( -4.583 -0.000 19.195) 19.734 9.616 ( -0.523 -0.000 12.556) 12.567 9.668 ( 7.325 0.000 -21.272) 22.498 9.856 ( -1.216 -0.000 -11.971) 12.033 12.485 ( 3.171 0.000 1.451) 3.487 12.544 ( -0.703 -0.000 -4.113) 4.173 13.067 ( 1.148 0.000 1.453) 1.851 13.106 ( -0.351 -0.000 -2.593) 2.617 13.611 ( 4.428 0.000 0.985) 4.536 13.629 ( -1.613 -0.000 -0.394) 1.660 13.874 ( -2.223 -0.000 3.081) 3.799 13.929 ( 0.953 0.000 -2.432) 2.612 14.967 ( -3.880 -0.000 9.663) 10.413 15.154 ( 2.263 0.000 -8.970) 9.251 17.202 ( -2.498 -0.000 12.145) 12.399 17.432 ( 2.372 0.000 -10.902) 11.157 17.922 ( -13.276 -0.000 6.169) 14.639 18.038 ( 8.895 0.000 -5.408) 10.410 18.503 ( 4.105 0.000 0.818) 4.186 18.524 ( -2.435 -0.000 -1.154) 2.694 18.770 ( -3.333 -0.000 5.612) 6.527 18.887 ( 3.992 0.000 -6.072) 7.267 20.864 ( 0.853 0.000 15.607) 15.630 21.136 ( -0.917 -0.000 -11.667) 11.703 21.658 ( -5.831 -0.000 0.242) 5.836 21.662 ( 4.346 0.000 -0.211) 4.351 22.424 ( -2.695 -0.000 6.866) 7.376 22.544 ( 2.541 0.000 -5.110) 5.707 23.625 ( 3.360 0.000 1.269) 3.592 23.669 ( -4.430 -0.000 -3.095) 5.404 23.893 ( -4.296 -0.000 4.137) 5.964 23.980 ( 5.745 0.000 -4.574) 7.344 ======================= Grid point 199 (102/128) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -1.323 0.838 9.356) 9.486 2.005 ( -1.629 3.154 0.546) 3.591 2.112 ( -4.843 -3.405 10.853) 12.363 2.337 ( 0.136 -2.342 -9.513) 9.798 2.390 ( -3.931 3.503 1.193) 5.399 2.480 ( 6.781 3.722 -1.572) 7.893 2.632 ( 3.930 0.038 2.247) 4.527 2.667 ( -0.443 0.067 -7.518) 7.532 3.093 ( -1.775 1.424 7.011) 7.371 3.215 ( 1.096 7.970 -5.395) 9.686 3.443 ( -8.535 -4.429 -1.939) 9.809 3.546 ( 5.205 -4.048 3.250) 7.352 3.855 ( 1.345 2.259 3.495) 4.373 3.920 ( 2.385 -0.278 -2.690) 3.606 4.019 ( -4.579 -3.675 20.552) 21.374 4.289 ( -3.036 -6.770 -7.381) 10.466 4.348 ( -1.400 -3.652 13.357) 13.917 4.459 ( -0.899 -8.800 1.664) 9.001 4.663 ( 5.270 -11.784 -8.009) 15.191 4.747 ( 10.758 2.101 -15.650) 19.107 5.164 ( -5.877 1.543 9.427) 11.215 5.277 ( -1.022 6.129 -2.200) 6.592 5.438 ( -0.113 -2.691 17.942) 18.143 5.606 ( 0.212 2.019 -9.092) 9.316 5.800 ( -1.516 -1.291 14.213) 14.351 6.009 ( -5.959 1.127 17.725) 18.734 6.155 ( 5.279 1.385 -15.424) 16.361 6.374 ( -0.524 3.698 -11.412) 12.007 6.445 ( -5.594 -2.582 -1.950) 6.463 6.778 ( 10.994 -0.905 -8.069) 13.667 6.923 ( -10.039 -2.005 23.995) 26.087 7.037 ( -3.154 6.813 -1.386) 7.634 7.126 ( 2.950 8.980 -2.765) 9.849 7.345 ( 2.751 -0.062 -12.392) 12.694 7.887 ( -3.132 4.110 4.612) 6.926 7.989 ( 0.859 4.862 -1.038) 5.045 8.201 ( -4.234 -3.178 2.965) 6.068 8.335 ( 3.365 -1.761 -4.874) 6.179 8.499 ( 3.992 -1.820 3.084) 5.363 8.559 ( 1.325 -2.428 -8.877) 9.298 9.273 ( -7.066 -3.273 16.826) 18.541 9.591 ( 1.436 4.254 1.553) 4.750 9.716 ( -0.588 -4.742 -10.014) 11.096 9.838 ( 4.708 -0.138 -10.748) 11.735 12.509 ( 0.936 1.284 -1.811) 2.409 12.517 ( 1.091 0.738 -2.486) 2.814 13.041 ( -3.897 3.313 -2.284) 5.601 13.082 ( 1.993 1.141 0.950) 2.485 13.549 ( -4.913 4.792 -2.289) 7.234 13.610 ( 2.652 3.419 0.465) 4.352 13.934 ( -0.455 -6.970 4.203) 8.152 14.008 ( 1.473 -7.813 -3.043) 8.513 14.954 ( -1.586 1.452 10.452) 10.671 15.154 ( 4.371 1.396 -8.517) 9.674 17.209 ( -2.363 0.024 11.962) 12.193 17.423 ( 2.091 0.471 -10.666) 10.879 17.801 ( -12.429 -0.280 8.986) 15.340 18.095 ( 6.661 2.185 -3.877) 8.011 18.489 ( -2.946 0.086 -1.796) 3.451 18.538 ( 2.534 0.119 -0.289) 2.553 18.769 ( -2.086 -1.703 5.715) 6.318 18.929 ( 5.051 -1.038 -6.852) 8.575 20.917 ( 0.363 -0.235 15.021) 15.027 21.105 ( 0.099 -1.148 -11.955) 12.010 21.515 ( -5.922 8.235 7.456) 12.589 21.696 ( 2.510 1.668 -5.669) 6.420 22.404 ( -2.065 1.717 7.304) 7.782 22.557 ( 3.630 0.879 -6.142) 7.188 23.632 ( -4.332 -1.843 -1.419) 4.918 23.691 ( 3.404 -2.888 1.582) 4.736 23.884 ( -4.206 -3.198 2.629) 5.902 24.042 ( 5.507 -2.008 -4.910) 7.647 ======================= Grid point 200 (103/128) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -9.732 9.865 0.378) 13.863 1.895 ( -0.000 2.808 6.194) 6.801 2.050 ( -5.762 2.292 2.828) 6.816 2.313 ( -4.956 -2.217 -5.630) 7.821 2.476 ( 4.574 -5.807 9.049) 11.685 2.529 ( 8.718 2.412 0.479) 9.058 2.631 ( 0.293 2.687 1.691) 3.189 2.675 ( 6.825 -0.476 -3.236) 7.569 3.056 ( -2.922 3.490 -8.919) 10.013 3.202 ( 7.524 -1.943 4.621) 9.041 3.371 ( -8.126 -0.519 -3.907) 9.031 3.586 ( 2.401 3.904 0.752) 4.645 3.904 ( 0.040 -4.989 6.353) 8.078 3.965 ( -0.953 -3.380 1.982) 4.033 4.091 ( -4.562 -7.129 13.657) 16.067 4.388 ( -3.022 -11.544 -4.683) 12.819 4.443 ( 0.835 -3.248 8.194) 8.854 4.592 ( -1.306 -7.378 3.071) 8.098 4.730 ( 5.634 4.871 -8.150) 11.040 4.904 ( 0.766 -15.785 -8.486) 17.938 5.087 ( -8.233 3.374 5.824) 10.634 5.161 ( 4.663 6.738 -4.735) 9.464 5.546 ( -0.845 0.868 -5.880) 6.004 5.549 ( 1.761 -1.070 24.399) 24.486 5.878 ( 6.031 -0.915 8.118) 10.155 5.934 ( -8.510 3.508 10.962) 14.314 6.125 ( 0.891 3.660 -7.445) 8.343 6.276 ( 3.252 4.152 -11.171) 12.353 6.431 ( -2.446 -1.575 -5.850) 6.533 6.837 ( 0.531 1.078 5.016) 5.158 6.887 ( -5.910 5.317 3.045) 8.513 6.975 ( 2.700 -2.545 -3.680) 5.226 7.005 ( 0.702 6.565 7.650) 10.106 7.331 ( 0.600 -0.192 -8.289) 8.313 7.812 ( -0.089 4.604 4.438) 6.395 7.922 ( 0.615 5.226 2.958) 6.037 8.196 ( -4.211 -1.947 -1.785) 4.971 8.375 ( 3.404 -0.172 -5.572) 6.532 8.540 ( -0.329 -1.470 -5.050) 5.270 8.624 ( 4.177 -3.214 -1.375) 5.447 9.283 ( -7.375 -2.740 11.274) 13.748 9.548 ( 0.524 3.580 3.988) 5.385 9.742 ( -1.922 -4.223 -7.083) 8.467 9.888 ( 6.506 -1.413 -10.528) 12.456 12.476 ( -0.855 0.659 -4.672) 4.795 12.517 ( 2.354 2.278 -0.088) 3.277 12.927 ( -4.454 3.719 -2.767) 6.428 13.099 ( 2.812 0.865 2.094) 3.611 13.415 ( -5.357 3.955 -1.989) 6.950 13.581 ( 1.197 2.823 -0.685) 3.142 14.048 ( -0.797 -6.490 4.307) 7.830 14.136 ( 1.041 -7.421 -3.363) 8.214 14.946 ( -0.738 1.747 10.303) 10.476 15.157 ( 5.215 1.802 -8.165) 9.855 17.215 ( -2.498 0.126 11.382) 11.653 17.405 ( 1.620 0.755 -8.634) 8.817 17.739 ( -8.361 -2.734 9.249) 12.764 18.084 ( 3.333 4.513 -3.093) 6.407 18.460 ( -1.615 -0.331 -1.979) 2.576 18.550 ( 1.081 0.432 -1.096) 1.599 18.803 ( -1.509 -2.601 6.279) 6.962 18.976 ( 4.705 -0.827 -7.914) 9.244 20.942 ( -2.212 1.056 12.804) 13.037 21.116 ( 2.494 -2.324 -9.744) 10.323 21.363 ( -5.709 6.364 12.483) 15.130 21.653 ( 2.661 3.869 -10.114) 11.150 22.374 ( -1.972 2.133 8.455) 8.940 22.555 ( 3.671 1.679 -8.093) 9.044 23.620 ( -3.489 -1.918 0.947) 4.092 23.773 ( 3.421 -2.150 1.727) 4.394 23.908 ( -4.015 -4.763 -0.337) 6.239 24.120 ( 4.403 -2.599 -4.078) 6.539 ======================= Grid point 201 (104/128) ======================= q-point: (-0.57 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -6.252 4.760 1.815) 8.065 1.872 ( 1.034 1.569 2.004) 2.747 1.991 ( 1.189 4.015 4.735) 6.321 2.324 ( -3.732 -6.580 0.529) 7.583 2.472 ( 3.055 9.156 0.016) 9.652 2.552 ( 0.248 1.451 -0.239) 1.492 2.662 ( -0.039 -3.750 3.183) 4.919 2.793 ( 3.216 -2.497 4.006) 5.712 2.990 ( 2.479 -1.675 -12.595) 12.945 3.285 ( 3.710 0.780 -0.281) 3.802 3.320 ( -5.165 -1.658 -0.637) 5.462 3.547 ( 2.372 2.634 0.131) 3.547 3.982 ( -2.413 -3.804 4.531) 6.390 4.019 ( -0.468 -4.088 6.830) 7.974 4.167 ( -4.888 -3.442 6.012) 8.478 4.464 ( -2.742 0.679 6.987) 7.536 4.528 ( 2.659 -4.871 -5.814) 8.038 4.676 ( -6.023 -7.034 5.279) 10.659 4.702 ( 2.562 1.566 2.141) 3.688 4.811 ( -3.641 14.015 7.470) 16.293 5.118 ( 3.202 0.706 -5.250) 6.190 5.236 ( 2.263 -13.322 -8.123) 15.766 5.522 ( -0.790 -2.778 -0.729) 2.979 5.589 ( -2.878 7.866 18.374) 20.193 5.824 ( -7.444 0.353 9.309) 11.924 5.972 ( 5.992 -0.691 -0.135) 6.033 6.031 ( 4.498 5.971 -3.223) 8.141 6.325 ( 7.580 -5.080 -9.060) 12.859 6.400 ( -2.704 -0.161 -5.941) 6.530 6.732 ( -6.803 6.841 -0.766) 9.678 6.835 ( -0.672 0.518 4.942) 5.015 6.933 ( 1.795 1.880 0.124) 2.603 7.070 ( -1.792 -5.096 2.986) 6.172 7.337 ( 1.149 -0.757 -3.811) 4.052 7.782 ( 2.607 2.361 4.525) 5.731 7.861 ( -2.096 3.212 7.016) 7.996 8.184 ( -0.870 -1.958 -5.627) 6.021 8.374 ( 2.385 1.912 -6.996) 7.635 8.527 ( -1.411 -0.335 -6.268) 6.434 8.698 ( 3.033 -1.249 -0.457) 3.312 9.277 ( -4.295 -1.855 6.780) 8.237 9.511 ( -0.445 3.898 8.944) 9.766 9.771 ( -0.489 -3.422 -7.021) 7.826 9.938 ( 4.538 -1.020 -10.446) 11.435 12.449 ( -0.801 0.337 -3.798) 3.896 12.502 ( 1.596 2.151 0.616) 2.748 12.844 ( -1.986 1.504 -2.041) 3.220 13.120 ( 1.761 0.078 1.326) 2.206 13.327 ( -2.775 1.268 -1.106) 3.245 13.551 ( 0.540 1.762 -0.926) 2.062 14.124 ( -0.788 -2.812 3.997) 4.950 14.214 ( 0.508 -2.331 -2.541) 3.485 14.945 ( -1.751 0.017 9.035) 9.203 15.162 ( 3.863 0.830 -8.116) 9.026 17.214 ( -2.983 0.272 10.776) 11.185 17.395 ( 2.171 0.220 -6.616) 6.966 17.753 ( -4.568 -4.473 7.275) 9.685 18.033 ( 2.718 4.251 -3.555) 6.173 18.451 ( -0.685 -0.398 -1.454) 1.655 18.545 ( 0.290 0.534 -1.107) 1.263 18.837 ( -2.151 -1.686 6.825) 7.352 19.003 ( 3.628 0.184 -8.639) 9.371 20.913 ( -4.129 2.525 12.009) 12.948 21.155 ( 3.557 -0.499 -4.492) 5.752 21.293 ( -4.788 -0.376 10.951) 11.958 21.604 ( 3.376 1.915 -12.781) 13.357 22.350 ( -2.391 0.987 9.457) 9.804 22.544 ( 2.998 1.117 -9.309) 9.843 23.618 ( -1.920 -0.940 2.265) 3.114 23.830 ( 3.325 -0.113 1.489) 3.645 23.931 ( -3.271 -3.680 -2.885) 5.707 24.174 ( 2.398 -0.453 -2.756) 3.681 ======================= Grid point 202 (105/128) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 2.339 -5.519 3.034) 6.718 1.894 ( 2.203 -1.614 -0.874) 2.868 1.979 ( 7.510 4.958 6.615) 11.169 2.348 ( 0.673 8.137 -0.917) 8.216 2.433 ( -3.027 -10.530 3.557) 11.520 2.506 ( -3.205 3.295 3.591) 5.833 2.742 ( 0.121 -6.939 -1.999) 7.222 2.789 ( -5.657 -1.181 -0.534) 5.804 2.993 ( -1.091 4.126 -9.932) 10.810 3.260 ( -1.393 1.255 -0.007) 1.875 3.348 ( 3.040 -3.717 -2.366) 5.353 3.546 ( -0.379 -0.434 0.794) 0.981 4.008 ( -1.992 -0.271 2.125) 2.925 4.078 ( 2.860 2.201 1.132) 3.782 4.135 ( -2.313 1.499 9.318) 9.717 4.369 ( -7.189 13.002 11.252) 18.637 4.468 ( -2.293 6.315 10.812) 12.729 4.607 ( 3.702 1.566 1.422) 4.263 4.705 ( -1.963 4.609 4.235) 6.560 4.889 ( 0.251 -12.311 2.505) 12.565 5.125 ( 6.988 1.751 -9.459) 11.890 5.237 ( -1.047 14.016 -8.015) 16.180 5.424 ( -6.503 0.220 6.772) 9.392 5.676 ( -2.556 -10.376 17.243) 20.286 5.794 ( -6.009 -0.879 10.786) 12.378 6.030 ( 6.555 0.226 -5.694) 8.686 6.100 ( 6.754 -7.825 -11.742) 15.644 6.317 ( -7.303 1.897 -6.742) 10.119 6.460 ( 4.325 -3.530 -11.750) 13.008 6.594 ( 0.130 3.543 9.885) 10.502 6.844 ( -0.128 -1.175 2.036) 2.354 6.958 ( 1.284 -2.674 -2.128) 3.651 7.140 ( -1.987 -6.247 0.015) 6.556 7.312 ( -2.358 2.411 -2.072) 3.958 7.812 ( 0.183 -0.245 12.492) 12.496 7.847 ( -0.133 -2.728 -0.154) 2.736 8.211 ( 3.026 -1.867 -5.873) 6.865 8.335 ( 1.077 2.630 -7.775) 8.278 8.495 ( -1.378 0.815 -2.807) 3.231 8.715 ( 1.128 1.472 -1.869) 2.633 9.292 ( -0.134 -0.662 5.890) 5.928 9.472 ( -1.061 3.125 9.742) 10.286 9.783 ( 0.860 0.175 -5.602) 5.670 9.954 ( 2.183 -0.647 -12.174) 12.385 12.428 ( -0.257 0.397 -1.939) 1.996 12.497 ( 1.023 0.459 1.432) 1.818 12.832 ( 0.817 -1.254 -0.927) 1.760 13.142 ( -0.074 -1.505 -0.881) 1.746 13.312 ( 1.343 -0.450 0.332) 1.455 13.543 ( 0.685 -0.293 -0.191) 0.769 14.131 ( -0.636 2.515 4.001) 4.768 14.201 ( 0.580 3.679 -1.973) 4.215 14.959 ( -3.723 -2.468 7.894) 9.070 15.165 ( 1.161 -0.727 -8.679) 8.786 17.205 ( -3.259 0.330 10.777) 11.263 17.406 ( 3.136 -0.354 -7.236) 7.894 17.800 ( -2.635 -4.152 4.327) 6.550 18.018 ( 4.753 1.236 -3.351) 5.945 18.442 ( -0.983 0.195 -0.707) 1.226 18.540 ( 0.247 0.148 -0.459) 0.542 18.844 ( -3.029 -0.366 7.010) 7.646 18.994 ( 2.105 1.882 -8.659) 9.108 20.859 ( -3.964 3.151 13.966) 14.856 21.184 ( 2.956 -0.321 -2.273) 3.743 21.316 ( -4.366 -4.911 7.501) 9.972 21.605 ( 4.195 -1.503 -13.381) 14.104 22.352 ( -2.756 -1.327 9.766) 10.234 22.537 ( 1.957 -0.137 -9.098) 9.307 23.620 ( -0.023 0.199 2.131) 2.140 23.849 ( 1.627 1.596 0.113) 2.282 23.935 ( -0.749 -0.998 -3.722) 3.926 24.158 ( -0.109 3.386 -1.316) 3.634 ======================= Grid point 203 (106/128) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.463 -6.051 7.920) 10.920 1.946 ( 3.199 -2.383 1.315) 4.200 2.054 ( 9.939 -0.262 2.993) 10.383 2.253 ( 0.114 3.615 -1.944) 4.106 2.394 ( -5.926 7.004 9.900) 13.498 2.581 ( -1.833 -10.879 -0.005) 11.032 2.710 ( -8.111 0.107 -8.904) 12.044 2.817 ( -3.222 6.060 -9.398) 11.637 2.906 ( -1.459 -11.799 2.598) 12.169 3.271 ( 2.705 -0.877 -1.068) 3.037 3.359 ( 1.150 3.780 -2.482) 4.667 3.611 ( -0.223 -8.047 -1.726) 8.233 3.937 ( -5.687 4.909 2.561) 7.937 3.968 ( -2.642 9.970 4.958) 11.444 4.116 ( 0.785 9.927 13.987) 17.170 4.210 ( 5.854 5.481 8.502) 11.687 4.419 ( -6.131 -0.588 10.124) 11.850 4.572 ( -2.382 7.226 3.303) 8.295 4.639 ( 4.965 5.176 0.086) 7.173 4.897 ( -1.056 15.116 -8.485) 17.367 5.055 ( 2.696 -2.242 4.857) 5.991 5.204 ( 2.836 -5.426 -4.853) 7.813 5.425 ( -2.395 -2.168 3.385) 4.679 5.758 ( -7.590 -0.957 10.434) 12.937 5.796 ( -6.174 -2.869 19.095) 20.273 6.058 ( 0.186 0.442 -3.220) 3.255 6.170 ( -4.169 2.803 -7.190) 8.771 6.264 ( 7.841 -7.712 -21.434) 24.091 6.518 ( 3.840 -3.994 -7.394) 9.240 6.653 ( 3.501 -0.380 11.193) 11.734 6.890 ( 0.060 -5.405 -0.750) 5.457 7.020 ( 0.664 -5.286 -4.514) 6.983 7.147 ( -9.939 0.427 7.102) 12.223 7.281 ( 3.456 -2.051 -9.083) 9.932 7.868 ( -2.562 -4.770 11.493) 12.705 7.917 ( 1.750 -5.064 -4.616) 7.072 8.257 ( 4.303 0.070 -2.076) 4.778 8.286 ( 0.914 2.235 -6.741) 7.160 8.458 ( -1.492 1.992 1.628) 2.974 8.671 ( -0.424 3.386 -4.139) 5.364 9.304 ( 1.634 4.028 11.213) 12.026 9.469 ( -0.577 -1.946 4.955) 5.355 9.751 ( 2.642 4.347 -4.684) 6.915 9.940 ( -0.202 -1.027 -14.123) 14.162 12.425 ( 1.057 0.139 -0.056) 1.068 12.518 ( 0.703 -1.393 0.672) 1.699 12.892 ( 3.155 -3.806 0.634) 4.984 13.144 ( -1.714 -0.420 -2.495) 3.056 13.377 ( 4.948 -3.299 1.698) 6.184 13.572 ( 0.646 -2.209 0.268) 2.317 14.056 ( -1.550 6.946 4.421) 8.378 14.120 ( 1.103 6.942 -2.665) 7.518 14.978 ( -5.428 -3.080 7.970) 10.122 15.161 ( -0.496 -1.627 -9.412) 9.565 17.198 ( -3.088 0.237 11.308) 11.724 17.424 ( 3.173 -0.445 -9.167) 9.711 17.851 ( 0.763 -3.354 0.784) 3.528 18.057 ( 2.355 -1.022 -2.515) 3.594 18.429 ( 0.496 0.596 0.876) 1.170 18.543 ( -0.077 -0.328 -0.138) 0.365 18.827 ( -3.576 0.394 6.707) 7.611 18.946 ( 0.913 3.202 -7.760) 8.444 20.822 ( -2.289 2.457 15.507) 15.866 21.202 ( 1.344 -0.379 -8.186) 8.304 21.396 ( -2.866 -7.902 9.473) 12.665 21.655 ( 3.668 -3.531 -11.400) 12.486 22.383 ( -2.939 -2.965 9.053) 9.969 22.537 ( 1.037 -0.712 -7.741) 7.843 23.621 ( 1.782 1.600 0.987) 2.590 23.813 ( -1.832 2.387 -2.038) 3.634 23.933 ( 3.059 1.435 -3.161) 4.627 24.069 ( -2.447 5.850 0.824) 6.394 ======================= Grid point 204 (107/128) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.253 -1.900 13.441) 13.577 1.998 ( -0.939 1.827 5.452) 5.826 2.117 ( 0.024 3.405 5.261) 6.267 2.263 ( 7.415 -2.287 -1.804) 7.966 2.339 ( 3.220 -2.174 3.621) 5.311 2.547 ( -3.706 7.092 -8.495) 11.671 2.683 ( -5.363 -4.573 -7.008) 9.939 2.740 ( -3.082 -4.564 -7.266) 9.117 3.101 ( -3.194 -12.318 5.344) 13.802 3.238 ( 0.683 0.589 -6.769) 6.828 3.393 ( 6.956 1.057 2.162) 7.360 3.639 ( -6.757 4.232 -5.837) 9.881 3.827 ( -2.514 -0.958 5.567) 6.183 3.869 ( 0.336 4.349 15.623) 16.221 3.980 ( -0.576 8.526 6.918) 10.994 4.261 ( 4.573 -1.211 3.161) 5.689 4.392 ( -6.112 1.308 12.433) 13.916 4.451 ( 0.531 7.571 5.375) 9.300 4.558 ( 5.420 11.629 -6.752) 14.498 4.704 ( 0.881 4.115 -12.041) 12.755 5.142 ( 2.139 -2.076 11.015) 11.411 5.297 ( -0.607 -6.012 -1.143) 6.149 5.427 ( -1.181 1.348 2.578) 3.140 5.686 ( -6.016 0.405 -3.089) 6.775 5.802 ( -6.696 -0.591 18.872) 20.034 6.021 ( -4.672 1.469 16.690) 17.394 6.141 ( 4.102 -0.653 -16.397) 16.915 6.360 ( 7.021 -2.462 -18.762) 20.183 6.586 ( -0.499 -2.449 0.151) 2.504 6.672 ( 1.531 2.284 -4.417) 5.203 7.000 ( -2.796 -4.686 4.480) 7.061 7.061 ( -6.388 -3.091 10.070) 12.319 7.106 ( 1.186 -5.610 -3.685) 6.816 7.326 ( 4.737 -1.009 -12.051) 12.987 7.941 ( -3.454 -5.005 4.170) 7.374 8.001 ( 0.732 -5.471 -4.445) 7.087 8.234 ( -0.118 4.009 2.956) 4.982 8.286 ( 3.607 0.831 -5.809) 6.888 8.420 ( -0.089 2.344 4.978) 5.503 8.599 ( -0.521 2.690 -6.933) 7.455 9.272 ( -1.181 4.588 17.019) 17.666 9.539 ( 0.963 -4.639 3.390) 5.826 9.696 ( 5.362 5.455 -8.391) 11.354 9.905 ( -1.950 -0.840 -13.859) 14.021 12.447 ( 2.419 -0.342 1.167) 2.707 12.545 ( 0.124 -1.336 -1.800) 2.245 13.001 ( 3.707 -4.378 1.493) 5.928 13.118 ( -1.061 0.501 -2.357) 2.633 13.505 ( 5.590 -4.714 1.991) 7.579 13.614 ( 0.002 -2.462 0.028) 2.462 13.939 ( -2.208 6.177 3.727) 7.545 14.006 ( 0.495 7.602 -2.874) 8.143 14.979 ( -5.678 -1.798 8.743) 10.579 15.156 ( 0.197 -1.320 -9.478) 9.571 17.197 ( -2.759 0.080 11.884) 12.200 17.433 ( 2.656 -0.263 -10.414) 10.750 17.928 ( 3.146 -3.718 -0.683) 4.918 18.044 ( -4.187 0.993 -1.734) 4.639 18.453 ( 4.117 0.043 1.659) 4.439 18.542 ( -1.097 -0.329 -0.494) 1.247 18.798 ( -3.774 0.557 6.120) 7.212 18.892 ( 1.694 2.347 -6.498) 7.113 20.825 ( -0.303 1.151 15.884) 15.929 21.178 ( -0.503 0.247 -10.836) 10.851 21.536 ( 0.093 -8.669 5.977) 10.530 21.701 ( 0.806 -1.667 -6.762) 7.011 22.417 ( -3.019 -2.256 7.714) 8.585 22.537 ( 1.150 -0.415 -5.983) 6.107 23.614 ( 3.007 2.607 0.405) 4.001 23.739 ( -3.869 2.066 -3.119) 5.382 23.939 ( 2.365 1.827 -0.771) 3.087 23.965 ( -1.212 3.736 0.648) 3.980 ======================= Grid point 206 (108/128) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 2.375 0.000 7.198) 7.580 2.009 ( -5.384 -0.000 0.280) 5.392 2.112 ( 1.327 0.000 13.975) 14.038 2.266 ( -3.494 -0.000 -9.272) 9.908 2.358 ( -3.673 -0.000 -1.063) 3.824 2.536 ( 3.158 0.000 -14.139) 14.488 2.672 ( 4.779 0.000 4.663) 6.677 2.728 ( 7.555 0.000 6.447) 9.932 3.027 ( -10.480 -0.000 6.093) 12.122 3.326 ( 0.450 0.000 0.232) 0.506 3.365 ( -1.717 -0.000 -0.471) 1.780 3.517 ( 2.762 0.000 5.081) 5.783 3.910 ( 0.792 0.000 -0.436) 0.905 3.948 ( 4.365 0.000 -4.324) 6.144 4.002 ( -7.050 -0.000 16.595) 18.030 4.136 ( -4.366 -0.000 -12.766) 13.492 4.380 ( 4.406 0.000 13.751) 14.440 4.382 ( 1.474 0.000 -3.595) 3.885 4.573 ( -1.249 -0.000 -5.089) 5.240 4.839 ( 9.476 0.000 -17.082) 19.534 5.115 ( -9.531 -0.000 11.915) 15.258 5.308 ( 0.697 0.000 -5.025) 5.073 5.492 ( 3.509 0.000 23.016) 23.282 5.606 ( 1.177 0.000 -12.885) 12.939 5.811 ( -1.043 -0.000 13.543) 13.583 6.017 ( -2.771 -0.000 16.612) 16.842 6.186 ( 5.811 0.000 -15.478) 16.533 6.314 ( -9.718 -0.000 10.855) 14.569 6.416 ( 4.474 0.000 -19.002) 19.522 6.863 ( -10.631 -0.000 24.368) 26.586 6.876 ( 11.931 0.000 -5.651) 13.202 7.037 ( -5.544 -0.000 -4.462) 7.117 7.223 ( 1.665 0.000 -1.946) 2.561 7.339 ( 1.777 0.000 -9.453) 9.619 7.898 ( -3.795 -0.000 8.081) 8.928 8.051 ( 2.785 0.000 -1.348) 3.094 8.128 ( -5.815 -0.000 4.786) 7.532 8.330 ( 2.654 0.000 -7.065) 7.547 8.529 ( 1.547 0.000 -9.007) 9.139 8.547 ( 5.567 0.000 1.553) 5.780 9.215 ( -8.286 -0.000 17.804) 19.637 9.579 ( -2.692 -0.000 -21.231) 21.401 9.688 ( -0.284 -0.000 13.669) 13.672 9.867 ( 7.400 0.000 -13.025) 14.980 12.486 ( -2.029 -0.000 -5.834) 6.177 12.559 ( 3.247 0.000 -0.184) 3.252 13.048 ( -3.063 -0.000 -1.995) 3.656 13.068 ( -1.640 -0.000 0.427) 1.695 13.534 ( -5.488 -0.000 -2.620) 6.082 13.649 ( -0.840 -0.000 -2.066) 2.230 13.875 ( -0.020 -0.000 3.920) 3.920 13.964 ( 3.109 0.000 -1.792) 3.588 14.993 ( 0.672 0.000 11.172) 11.192 15.200 ( 6.171 0.000 -7.747) 9.904 17.216 ( -2.657 -0.000 11.667) 11.965 17.420 ( 2.313 0.000 -10.983) 11.224 17.688 ( -12.458 -0.000 11.578) 17.008 18.166 ( 3.882 0.000 -3.388) 5.152 18.456 ( -1.662 -0.000 -2.102) 2.679 18.556 ( 1.100 0.000 -0.603) 1.254 18.750 ( -1.608 -0.000 5.932) 6.146 18.964 ( 6.308 0.000 -7.574) 9.857 20.960 ( -0.221 -0.000 14.727) 14.729 21.065 ( 0.801 0.000 -12.390) 12.415 21.520 ( -7.121 -0.000 2.939) 7.704 21.731 ( 1.936 0.000 0.056) 1.937 22.420 ( -1.358 -0.000 7.281) 7.407 22.592 ( 4.584 0.000 -6.195) 7.707 23.571 ( -3.354 -0.000 -1.328) 3.607 23.694 ( 1.161 0.000 2.373) 2.642 23.836 ( -2.084 -0.000 3.229) 3.844 24.065 ( 4.936 0.000 -6.174) 7.905 ======================= Grid point 207 (109/128) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -7.536 8.314 1.188) 11.284 1.937 ( -4.373 2.976 3.658) 6.431 2.064 ( 2.172 3.808 2.461) 5.027 2.273 ( 0.369 2.490 -6.823) 7.272 2.387 ( 1.052 -9.643 8.310) 12.773 2.600 ( 2.153 -5.930 -9.242) 11.190 2.703 ( 5.823 7.000 6.135) 10.979 2.765 ( 7.530 1.032 2.823) 8.108 3.047 ( -6.184 -4.370 6.774) 10.160 3.248 ( 1.136 5.549 -3.686) 6.758 3.307 ( -0.247 1.517 0.454) 1.603 3.617 ( -0.598 -3.213 3.158) 4.545 3.885 ( -0.630 0.845 2.047) 2.303 3.920 ( -7.091 -0.170 6.017) 9.301 4.021 ( 0.426 -3.679 3.373) 5.009 4.178 ( 3.136 -8.829 -9.881) 13.617 4.426 ( 0.548 -3.824 -0.291) 3.874 4.514 ( 3.820 -5.232 5.246) 8.336 4.607 ( -5.679 -11.608 -1.502) 13.010 4.817 ( 0.877 4.201 -10.182) 11.050 5.054 ( -7.946 0.232 7.898) 11.206 5.308 ( 9.838 3.933 -9.566) 14.275 5.552 ( -0.112 2.642 -9.258) 9.628 5.603 ( 0.341 -1.945 25.493) 25.570 5.829 ( -7.526 -1.473 12.418) 14.595 6.062 ( 9.056 3.183 8.520) 12.835 6.174 ( 2.970 2.529 -5.447) 6.699 6.279 ( -3.876 -1.143 7.128) 8.193 6.405 ( 3.543 0.115 -18.276) 18.617 6.827 ( -8.345 -0.701 19.888) 21.579 6.921 ( -4.514 5.399 -5.671) 9.038 6.984 ( 8.188 -0.861 -4.696) 9.478 7.161 ( 0.823 8.111 0.265) 8.157 7.321 ( 0.060 0.704 -4.936) 4.986 7.869 ( -2.265 2.076 9.321) 9.814 8.014 ( -1.689 4.989 2.548) 5.852 8.118 ( -2.403 -2.500 -0.878) 3.577 8.357 ( 2.485 -2.123 -8.870) 9.453 8.522 ( 1.201 0.079 -6.740) 6.847 8.625 ( 4.850 -2.358 -0.268) 5.399 9.194 ( -8.299 -2.530 14.904) 17.245 9.513 ( -2.891 -2.639 -16.744) 17.195 9.712 ( -1.232 0.550 12.339) 12.413 9.917 ( 7.937 -0.505 -13.488) 15.658 12.447 ( -2.403 -0.080 -5.005) 5.553 12.573 ( 2.322 1.746 -1.780) 3.407 12.952 ( -2.437 4.817 -1.428) 5.584 13.096 ( -1.155 -3.137 0.683) 3.412 13.425 ( -4.983 4.778 -2.211) 7.249 13.606 ( -2.231 1.622 -2.171) 3.510 13.948 ( -0.464 -6.589 3.435) 7.445 14.034 ( 2.028 -5.462 -2.586) 6.374 15.019 ( 1.582 2.483 11.248) 11.627 15.232 ( 6.678 2.066 -7.369) 10.157 17.216 ( -3.373 -0.040 10.905) 11.414 17.409 ( 1.941 0.572 -9.449) 9.663 17.629 ( -8.768 -2.795 12.397) 15.439 18.147 ( -1.024 2.419 -4.630) 5.323 18.450 ( 1.307 0.198 -1.352) 1.891 18.557 ( 0.088 0.323 -1.050) 1.102 18.772 ( -0.852 -1.947 6.739) 7.066 19.007 ( 5.947 0.118 -8.464) 10.344 20.972 ( -2.280 1.573 10.908) 11.254 21.073 ( 2.161 -2.894 -8.844) 9.553 21.424 ( -5.222 4.812 7.335) 10.209 21.714 ( 1.051 3.494 -3.658) 5.166 22.413 ( -1.231 1.983 8.267) 8.590 22.608 ( 4.577 1.956 -7.668) 9.142 23.556 ( -2.540 -2.042 0.569) 3.308 23.731 ( -1.657 -4.284 0.935) 4.687 23.850 ( 0.883 -1.263 3.233) 3.582 24.111 ( 3.895 -2.065 -6.287) 7.678 ======================= Grid point 208 (110/128) ======================= q-point: ( 0.43 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -6.453 9.126 4.420) 12.019 1.865 ( -4.090 0.517 0.353) 4.137 2.062 ( 3.204 0.772 -6.340) 7.145 2.265 ( 3.747 -0.027 2.165) 4.327 2.522 ( -1.444 -4.012 1.598) 4.554 2.624 ( -1.253 -0.312 -0.925) 1.588 2.689 ( 6.249 7.527 7.309) 12.212 2.839 ( 0.326 4.271 7.165) 8.348 2.961 ( 1.018 0.055 -9.077) 9.134 3.230 ( -0.691 -3.405 -2.106) 4.062 3.340 ( 1.181 2.478 0.566) 2.802 3.624 ( 3.153 0.869 2.007) 3.837 3.875 ( -7.360 -5.168 2.375) 9.302 3.963 ( -0.206 -6.820 11.262) 13.167 4.092 ( 0.245 -3.392 0.914) 3.522 4.370 ( 5.838 -12.548 -6.712) 15.381 4.458 ( -3.075 -1.287 1.990) 3.882 4.579 ( -4.263 -2.868 2.105) 5.553 4.737 ( -1.301 -0.182 0.535) 1.418 4.824 ( -2.953 -17.705 -0.889) 17.971 4.952 ( -5.548 6.580 5.938) 10.457 5.336 ( 14.430 5.350 -14.892) 21.415 5.491 ( -1.541 0.596 -2.166) 2.724 5.698 ( -1.771 -2.051 22.622) 22.784 5.734 ( -12.147 4.470 10.224) 16.495 6.044 ( 0.828 4.578 0.353) 4.665 6.212 ( 7.393 5.843 2.217) 9.681 6.308 ( 4.011 -1.908 -2.611) 5.152 6.399 ( 5.615 -0.441 -10.540) 11.950 6.776 ( -2.444 6.413 -4.449) 8.179 6.822 ( -4.661 -1.588 12.291) 13.241 7.007 ( 1.206 3.031 -5.734) 6.597 7.053 ( 0.211 5.339 5.873) 7.940 7.321 ( 1.148 -1.322 -3.353) 3.782 7.851 ( 0.156 1.969 8.808) 9.027 7.900 ( -6.486 4.946 4.770) 9.449 8.141 ( 1.627 -2.331 -5.101) 5.839 8.372 ( 1.229 -0.306 -9.995) 10.075 8.512 ( 0.515 0.406 -4.329) 4.379 8.701 ( 3.180 -2.023 -2.091) 4.310 9.202 ( -5.806 -3.865 10.778) 12.838 9.502 ( -2.855 -3.388 -7.970) 9.119 9.725 ( -0.734 -0.521 7.916) 7.967 9.964 ( 6.775 0.128 -12.731) 14.422 12.417 ( -2.292 -0.745 -2.972) 3.826 12.547 ( 0.700 2.443 -2.719) 3.722 12.877 ( 1.134 3.445 -1.041) 3.774 13.124 ( -1.187 -1.273 1.023) 2.019 13.318 ( -2.578 2.266 -0.921) 3.554 13.553 ( -2.753 0.844 -2.301) 3.686 14.051 ( -1.120 -6.283 3.545) 7.300 14.134 ( 0.500 -6.380 -3.176) 7.144 15.009 ( 0.963 4.333 10.590) 11.482 15.231 ( 5.452 3.781 -7.581) 10.074 17.208 ( -3.889 -0.141 10.313) 11.023 17.401 ( 2.064 0.088 -7.416) 7.699 17.650 ( -5.262 -4.781 11.226) 13.288 18.078 ( -1.470 2.029 -6.395) 6.869 18.458 ( 1.745 0.861 -0.285) 1.967 18.546 ( -0.480 0.306 -1.227) 1.353 18.814 ( -0.809 -1.717 7.278) 7.522 19.034 ( 4.841 0.798 -8.994) 10.246 20.940 ( -3.321 2.106 10.195) 10.927 21.127 ( 1.898 -3.822 -7.641) 8.752 21.329 ( -2.957 5.075 12.023) 13.381 21.648 ( 1.680 3.967 -8.747) 9.750 22.382 ( -1.912 2.713 9.271) 9.847 22.588 ( 3.763 3.103 -9.292) 10.494 23.577 ( -1.578 -2.689 2.679) 4.111 23.779 ( -3.093 -4.996 -1.597) 6.089 23.902 ( 3.078 -1.416 2.925) 4.476 24.163 ( 2.110 -2.216 -5.302) 6.121 ======================= Grid point 209 (111/128) ======================= q-point: (-0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 1.738 -1.562 4.524) 5.091 1.850 ( -2.364 -3.003 -0.148) 3.825 2.085 ( 4.715 -1.327 -8.265) 9.608 2.330 ( 1.061 -2.980 1.903) 3.692 2.516 ( -2.425 1.341 2.290) 3.595 2.547 ( 2.099 15.362 4.754) 16.218 2.620 ( -4.113 -2.679 -2.730) 5.617 2.774 ( -1.208 1.288 8.511) 8.692 3.008 ( 0.919 1.160 -9.985) 10.094 3.232 ( -5.380 1.039 -0.211) 5.483 3.311 ( 3.479 -2.868 0.946) 4.607 3.617 ( 2.645 5.594 -2.556) 6.695 3.957 ( -1.350 -7.090 5.143) 8.862 4.097 ( -2.149 -5.408 16.696) 17.680 4.141 ( 5.024 -0.808 -3.129) 5.974 4.404 ( -3.788 3.568 5.436) 7.525 4.553 ( -4.226 0.594 1.562) 4.545 4.631 ( 2.982 -13.349 -0.810) 13.702 4.744 ( -3.099 1.133 -0.429) 3.327 4.795 ( 2.180 5.505 8.524) 10.379 5.043 ( -6.103 -13.408 3.006) 15.035 5.328 ( 8.754 6.378 -16.316) 19.584 5.509 ( -6.120 11.362 4.074) 13.533 5.551 ( -1.507 -7.504 8.386) 11.354 5.736 ( -5.192 -0.732 15.938) 16.779 6.018 ( -2.315 -2.104 -0.978) 3.278 6.161 ( 5.249 6.924 -6.267) 10.713 6.282 ( 0.868 3.032 -13.992) 14.343 6.489 ( 7.216 0.694 -0.470) 7.265 6.687 ( 1.768 3.476 6.783) 7.824 6.833 ( -0.475 -0.425 1.185) 1.346 6.951 ( -0.215 1.425 -3.196) 3.506 7.055 ( -0.866 -3.030 7.871) 8.478 7.318 ( -1.231 1.781 -3.645) 4.240 7.794 ( -6.314 0.457 4.363) 7.688 7.858 ( 1.153 1.162 6.307) 6.516 8.190 ( 2.919 -3.091 -8.270) 9.299 8.346 ( 0.574 1.199 -6.709) 6.840 8.500 ( 0.783 0.832 -1.242) 1.688 8.732 ( 1.165 0.044 -4.125) 4.286 9.253 ( -1.898 -4.794 8.057) 9.566 9.490 ( -3.998 -0.608 1.905) 4.470 9.759 ( 1.042 -1.915 0.444) 2.225 9.976 ( 4.780 1.998 -12.108) 13.170 12.408 ( -1.425 -1.263 -0.615) 2.002 12.513 ( -0.082 1.191 -2.635) 2.893 12.863 ( 4.010 1.813 -0.100) 4.402 13.112 ( -2.728 -0.285 -0.656) 2.820 13.312 ( 1.544 -1.666 0.715) 2.381 13.518 ( -2.719 -0.951 -1.875) 3.437 14.124 ( -1.259 -3.359 3.698) 5.152 14.202 ( -0.077 -2.860 -2.706) 3.938 14.973 ( -0.634 3.869 9.644) 10.411 15.192 ( 3.090 4.049 -8.489) 9.899 17.199 ( -3.637 -0.222 10.444) 11.062 17.408 ( 2.434 -0.548 -8.280) 8.647 17.712 ( -3.682 -5.180 11.204) 12.881 18.038 ( 0.652 -0.184 -8.245) 8.273 18.457 ( 1.335 1.276 0.555) 1.928 18.536 ( -0.553 -0.106 -0.955) 1.109 18.837 ( -1.289 -0.113 7.415) 7.527 19.031 ( 3.302 2.044 -8.987) 9.790 20.902 ( -3.224 2.342 12.942) 13.541 21.173 ( 0.467 -3.200 -8.663) 9.247 21.282 ( -1.811 2.500 14.307) 14.636 21.602 ( 3.003 1.035 -12.728) 13.118 22.352 ( -2.503 1.393 9.798) 10.208 22.552 ( 2.768 2.249 -9.690) 10.326 23.613 ( -0.182 -2.004 3.453) 3.996 23.802 ( -3.453 -3.132 -2.989) 5.538 23.963 ( 4.490 -0.327 1.577) 4.770 24.178 ( -0.252 0.386 -3.973) 3.999 ======================= Grid point 210 (112/128) ======================= q-point: (-0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 6.681 -8.306 5.174) 11.848 1.898 ( -1.630 -5.645 0.067) 5.876 2.148 ( 6.396 -1.398 -5.889) 8.806 2.320 ( -11.043 -2.761 -2.262) 11.606 2.407 ( 3.900 10.148 6.156) 12.494 2.476 ( -1.592 1.015 6.052) 6.340 2.597 ( -3.971 -2.591 -4.238) 6.359 2.834 ( -1.136 2.939 -1.859) 3.658 2.859 ( 1.965 1.939 -0.233) 2.770 3.218 ( -3.473 -2.931 -4.514) 6.406 3.411 ( 3.898 -3.277 1.027) 5.195 3.541 ( -0.329 2.577 -2.618) 3.689 3.984 ( -1.160 3.972 4.335) 5.993 4.094 ( -1.800 6.705 -1.964) 7.215 4.196 ( -2.573 0.482 21.522) 21.681 4.377 ( 3.429 1.462 9.444) 10.153 4.460 ( -1.290 7.114 2.685) 7.713 4.616 ( -2.885 2.184 -1.274) 3.836 4.784 ( 5.293 4.805 7.991) 10.722 4.919 ( 1.490 -8.910 0.081) 9.034 5.104 ( -8.087 -3.172 0.579) 8.706 5.205 ( 6.459 11.859 -15.672) 20.687 5.370 ( -2.162 -0.627 10.376) 10.617 5.689 ( -6.044 -4.869 2.317) 8.099 5.734 ( -3.786 -2.925 21.807) 22.326 6.017 ( -5.445 -2.547 -3.899) 7.165 6.125 ( 4.999 -0.613 -12.336) 13.325 6.214 ( 2.660 0.908 -16.603) 16.839 6.546 ( 8.421 0.755 -1.870) 8.659 6.703 ( -1.552 0.345 10.848) 10.964 6.840 ( 1.308 -1.241 -1.501) 2.346 6.944 ( -0.900 -2.350 -4.498) 5.155 7.094 ( -6.299 0.765 10.958) 12.662 7.278 ( 3.638 -0.737 -5.594) 6.714 7.781 ( -4.948 -3.832 5.721) 8.479 7.872 ( 1.054 -1.303 -2.858) 3.314 8.245 ( 2.515 -3.169 -7.599) 8.609 8.323 ( 0.675 1.304 -1.597) 2.170 8.497 ( 1.986 1.948 2.884) 4.007 8.701 ( -0.345 2.520 -6.274) 6.770 9.347 ( 1.804 -4.319 7.005) 8.424 9.448 ( -5.618 0.963 7.965) 9.794 9.796 ( 2.880 -0.751 -4.843) 5.684 9.933 ( 2.125 3.937 -12.496) 13.273 12.423 ( 0.261 -1.495 0.762) 1.698 12.501 ( -0.018 -0.649 -2.517) 2.599 12.905 ( 5.296 -0.735 1.485) 5.550 13.083 ( -4.434 -1.463 -2.737) 5.412 13.388 ( 4.721 -3.211 1.579) 5.924 13.516 ( -2.730 -2.927 -1.318) 4.214 14.131 ( -1.573 2.435 4.387) 5.258 14.200 ( 0.779 2.514 -2.678) 3.755 14.942 ( -2.532 1.307 9.198) 9.629 15.140 ( 1.448 2.003 -9.498) 9.815 17.197 ( -3.032 -0.187 11.046) 11.456 17.418 ( 2.216 -0.725 -9.825) 10.098 17.788 ( -2.353 -4.988 10.835) 12.158 18.038 ( 0.619 -1.237 -9.170) 9.274 18.462 ( 2.609 0.668 1.125) 2.919 18.530 ( -1.061 -0.370 -0.777) 1.366 18.831 ( -1.751 1.318 7.086) 7.417 18.992 ( 1.961 3.372 -8.278) 9.151 20.879 ( -1.972 2.007 15.054) 15.315 21.183 ( 0.168 -1.016 -10.443) 10.494 21.300 ( -2.984 -3.098 15.591) 16.174 21.611 ( 3.695 -2.249 -14.498) 15.129 22.348 ( -2.589 -0.976 9.515) 9.909 22.530 ( 2.167 0.631 -8.798) 9.083 23.650 ( 1.229 -0.814 3.193) 3.517 23.783 ( -3.597 -0.332 -3.169) 4.805 24.008 ( 5.422 1.552 -0.472) 5.659 24.119 ( -2.560 4.079 -2.331) 5.350 ======================= Grid point 211 (113/128) ======================= q-point: (-0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.950 -2.291 9.068) 9.401 1.975 ( -1.754 -4.883 -1.250) 5.337 2.205 ( -4.263 0.544 6.072) 7.439 2.297 ( 4.466 -0.958 -3.237) 5.598 2.324 ( 4.238 0.919 5.063) 6.666 2.457 ( -5.358 -1.596 -4.942) 7.462 2.631 ( 0.355 -4.304 -1.685) 4.636 2.671 ( -2.518 4.154 -7.822) 9.207 3.004 ( 5.989 -3.878 8.378) 11.004 3.189 ( -3.757 -1.325 -9.141) 9.971 3.480 ( 6.383 -0.433 1.744) 6.631 3.546 ( -4.971 -4.337 -4.892) 8.213 3.876 ( -1.547 7.315 7.135) 10.335 3.963 ( -0.151 6.357 -0.011) 6.358 4.131 ( -7.910 8.054 22.048) 24.770 4.348 ( 1.157 5.663 12.496) 13.768 4.432 ( 3.302 4.660 -0.349) 5.722 4.576 ( 2.218 3.624 -0.381) 4.266 4.716 ( -1.089 4.946 -3.163) 5.971 4.849 ( 5.331 15.183 -9.884) 18.885 5.124 ( 0.818 -4.040 4.073) 5.794 5.194 ( -1.061 -5.997 -3.954) 7.261 5.421 ( -1.684 -1.787 13.692) 13.911 5.632 ( -5.183 0.540 -1.494) 5.421 5.790 ( -3.952 -0.872 18.349) 18.790 6.004 ( -4.124 -1.848 7.569) 8.815 6.135 ( 3.997 0.107 -14.597) 15.135 6.288 ( 4.499 -8.619 -18.295) 20.718 6.562 ( -5.733 2.306 5.089) 8.005 6.713 ( 7.151 0.315 -8.940) 11.453 6.924 ( 2.684 -6.524 2.097) 7.360 6.985 ( -3.277 -5.567 3.003) 7.124 7.008 ( -7.083 1.559 11.888) 13.925 7.335 ( 4.858 -1.005 -10.290) 11.423 7.825 ( -3.524 -5.968 4.100) 8.053 7.915 ( 0.353 -4.528 -3.820) 5.934 8.268 ( -1.371 1.220 -0.154) 1.842 8.321 ( 3.123 -0.185 -3.872) 4.978 8.494 ( 2.909 3.226 5.189) 6.767 8.626 ( -0.297 3.615 -8.370) 9.122 9.358 ( -4.726 4.373 12.928) 14.443 9.483 ( 1.159 -5.854 5.924) 8.409 9.809 ( 5.996 3.904 -9.403) 11.816 9.845 ( -1.858 1.494 -12.077) 12.310 12.460 ( 1.935 -1.512 1.139) 2.707 12.512 ( -0.055 -1.544 -3.565) 3.885 12.997 ( 5.151 -2.841 2.369) 6.342 13.054 ( -5.033 -2.612 -3.460) 6.642 13.500 ( 3.969 -4.181 1.751) 6.025 13.536 ( -2.495 -3.901 -1.774) 4.959 14.047 ( -1.571 7.271 4.771) 8.837 14.129 ( 1.343 7.255 -3.311) 8.087 14.934 ( -3.287 -0.917 9.638) 10.224 15.124 ( 2.255 -0.809 -9.444) 9.743 17.201 ( -2.521 -0.105 11.685) 11.954 17.422 ( 1.963 -0.649 -10.411) 10.614 17.854 ( -5.624 -3.665 10.192) 12.204 18.034 ( 2.123 -0.705 -7.952) 8.261 18.498 ( 3.753 -0.282 0.568) 3.807 18.517 ( -1.961 -0.358 -1.181) 2.317 18.804 ( -2.031 1.960 6.366) 6.964 18.940 ( 2.532 3.061 -7.206) 8.228 20.885 ( -0.401 1.124 15.490) 15.536 21.154 ( 0.076 0.829 -11.484) 11.514 21.396 ( -4.036 -8.550 13.764) 16.698 21.655 ( 2.998 -3.345 -12.592) 13.369 22.374 ( -2.433 -2.313 8.411) 9.056 22.532 ( 2.455 -0.523 -7.308) 7.727 23.675 ( 1.408 0.567 2.347) 2.795 23.723 ( -2.771 2.442 -2.506) 4.464 23.996 ( -3.297 5.703 0.398) 6.599 24.033 ( 4.905 2.721 -2.993) 6.358 ======================= Grid point 214 (114/128) ======================= q-point: ( 0.29 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -5.275 -0.000 0.053) 5.275 1.936 ( -7.380 -0.000 5.518) 9.215 2.173 ( -1.035 -0.000 2.776) 2.963 2.241 ( 3.730 0.000 -11.458) 12.050 2.387 ( 4.820 0.000 9.568) 10.713 2.522 ( 3.404 0.000 -10.151) 10.706 2.858 ( -0.369 -0.000 4.060) 4.077 2.870 ( 2.568 0.000 7.549) 7.974 2.933 ( 8.699 0.000 8.486) 12.153 3.284 ( -3.413 -0.000 0.369) 3.433 3.380 ( 1.553 0.000 -0.449) 1.617 3.555 ( -1.373 -0.000 4.440) 4.648 3.818 ( -12.847 -0.000 4.402) 13.580 3.906 ( -2.895 -0.000 1.095) 3.095 3.931 ( -0.928 -0.000 -9.380) 9.426 4.194 ( 11.194 0.000 -3.005) 11.590 4.367 ( -1.742 -0.000 -7.859) 8.050 4.430 ( -6.726 -0.000 1.335) 6.857 4.590 ( 5.730 0.000 12.106) 13.394 4.812 ( -1.980 -0.000 -9.873) 10.070 5.000 ( -5.769 -0.000 7.751) 9.662 5.418 ( 12.331 0.000 -19.352) 22.947 5.550 ( -0.535 -0.000 -4.880) 4.910 5.635 ( -3.379 -0.000 18.466) 18.773 5.783 ( -7.791 -0.000 21.645) 23.005 6.209 ( 3.811 0.000 -13.136) 13.677 6.222 ( -0.626 -0.000 17.227) 17.238 6.271 ( 10.941 0.000 9.747) 14.653 6.394 ( 4.236 0.000 -18.424) 18.905 6.787 ( -8.373 -0.000 20.949) 22.560 6.902 ( -1.195 -0.000 -13.623) 13.675 7.056 ( 5.402 0.000 -0.781) 5.458 7.227 ( -0.604 -0.000 0.961) 1.134 7.311 ( -1.414 -0.000 -2.026) 2.471 7.885 ( -2.651 -0.000 11.808) 12.102 8.006 ( -8.132 -0.000 5.266) 9.689 8.092 ( 1.277 0.000 -4.089) 4.284 8.351 ( 4.930 0.000 -11.497) 12.510 8.522 ( 1.797 0.000 -5.788) 6.061 8.653 ( 3.801 0.000 -0.597) 3.848 9.125 ( -8.659 -0.000 15.379) 17.649 9.406 ( -2.397 -0.000 -19.270) 19.419 9.737 ( -2.645 -0.000 15.061) 15.292 9.960 ( 8.244 0.000 -14.881) 17.012 12.405 ( -2.927 -0.000 -3.408) 4.493 12.597 ( 1.097 0.000 -4.686) 4.813 12.996 ( -0.706 -0.000 -0.157) 0.723 13.022 ( -2.091 -0.000 0.676) 2.198 13.412 ( -4.487 -0.000 -1.855) 4.856 13.574 ( -4.153 -0.000 -3.964) 5.741 13.900 ( 0.276 0.000 3.678) 3.689 14.009 ( 1.823 0.000 -2.324) 2.954 15.093 ( 2.304 0.000 11.467) 11.696 15.301 ( 6.729 0.000 -6.995) 9.706 17.204 ( -4.268 -0.000 10.330) 11.177 17.407 ( 1.973 0.000 -10.640) 10.822 17.565 ( -6.187 -0.000 15.719) 16.893 18.112 ( -4.733 -0.000 -7.234) 8.645 18.476 ( 2.905 0.000 -0.899) 3.041 18.557 ( -0.247 -0.000 -0.977) 1.007 18.773 ( 0.220 0.000 8.152) 8.155 19.045 ( 5.481 0.000 -9.341) 10.830 20.989 ( -4.790 -0.000 13.696) 14.509 21.043 ( 3.500 0.000 -11.923) 12.426 21.436 ( -2.735 -0.000 6.300) 6.868 21.738 ( -0.692 -0.000 -2.030) 2.144 22.445 ( -0.734 -0.000 9.059) 9.088 22.653 ( 4.729 0.000 -7.986) 9.281 23.522 ( -1.060 -0.000 0.179) 1.075 23.668 ( -3.445 -0.000 1.080) 3.611 23.869 ( 2.174 0.000 4.335) 4.849 24.112 ( 3.042 0.000 -7.404) 8.005 ======================= Grid point 215 (115/128) ======================= q-point: ( 0.43 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -6.193 9.429 5.794) 12.682 1.841 ( -3.754 1.669 1.296) 4.308 2.093 ( 1.156 3.893 -5.937) 7.193 2.284 ( -1.202 -2.240 -5.013) 5.621 2.478 ( 3.049 -2.322 6.936) 7.924 2.572 ( -0.923 -3.675 -5.364) 6.568 2.813 ( 0.673 2.047 8.456) 8.727 2.966 ( 5.474 0.810 -2.514) 6.078 3.032 ( 7.690 7.048 9.761) 14.286 3.204 ( 0.307 2.044 -1.700) 2.676 3.394 ( 2.143 -0.008 0.353) 2.172 3.578 ( -5.309 -6.179 5.889) 10.052 3.744 ( -5.059 -2.006 -2.257) 5.891 3.878 ( -2.257 -4.554 6.907) 8.576 4.002 ( -0.762 -7.650 -6.240) 9.902 4.322 ( -4.732 -7.488 1.307) 8.954 4.338 ( 4.246 -2.447 -7.725) 9.149 4.423 ( -3.922 -4.561 4.567) 7.553 4.684 ( 1.174 -2.088 8.646) 8.971 4.766 ( 1.528 0.917 -8.716) 8.897 4.974 ( -1.426 0.755 5.384) 5.621 5.425 ( 0.269 0.826 -18.062) 18.082 5.551 ( 8.092 3.482 -3.326) 9.417 5.622 ( -8.252 -1.242 9.921) 12.964 5.783 ( -3.361 1.245 25.197) 25.450 6.127 ( -2.652 6.357 4.441) 8.196 6.257 ( -1.383 -1.241 2.548) 3.154 6.387 ( 6.700 1.778 -16.008) 17.444 6.475 ( 15.956 -0.714 5.966) 17.050 6.774 ( -6.251 -1.654 16.421) 17.648 6.832 ( 1.081 3.857 -11.332) 12.019 7.048 ( -1.733 3.673 -0.906) 4.161 7.173 ( -0.323 6.068 3.416) 6.971 7.305 ( 1.420 -0.948 -3.982) 4.333 7.890 ( -1.128 0.752 5.868) 6.022 7.905 ( -8.693 3.747 12.869) 15.976 8.100 ( -0.098 -2.310 -6.751) 7.136 8.370 ( 4.644 0.450 -13.105) 13.911 8.524 ( 1.917 0.824 -2.468) 3.232 8.693 ( 2.035 -1.572 -2.922) 3.893 9.108 ( -6.929 -3.659 13.203) 15.353 9.374 ( -1.031 -4.343 -15.943) 16.557 9.742 ( -3.100 0.306 14.814) 15.138 10.003 ( 7.379 0.050 -14.942) 16.664 12.374 ( -2.479 -0.616 -0.716) 2.652 12.568 ( -0.721 1.704 -6.600) 6.854 12.949 ( 2.376 3.318 0.364) 4.097 13.065 ( -1.798 -3.706 1.235) 4.300 13.338 ( -2.228 3.159 -0.832) 3.954 13.513 ( -4.644 0.227 -3.801) 6.006 13.957 ( -0.364 -5.173 3.454) 6.231 14.049 ( 0.757 -4.175 -2.866) 5.120 15.119 ( 1.558 3.485 11.037) 11.678 15.324 ( 5.371 2.990 -7.231) 9.491 17.189 ( -4.193 -0.287 10.159) 10.994 17.398 ( 1.736 -0.086 -9.674) 9.829 17.582 ( -3.286 -2.647 15.489) 16.053 18.038 ( -4.008 0.038 -9.019) 9.870 18.495 ( 2.107 0.789 -0.417) 2.288 18.544 ( -0.582 0.637 -0.964) 1.293 18.812 ( 0.551 -1.073 8.704) 8.787 19.067 ( 4.296 0.462 -9.933) 10.832 20.955 ( -5.250 1.148 11.683) 12.860 21.074 ( 2.891 -2.419 -9.294) 10.029 21.411 ( -0.286 3.589 8.771) 9.481 21.693 ( -0.647 3.062 -5.153) 6.029 22.437 ( -1.335 2.899 9.844) 10.348 22.653 ( 3.969 2.983 -9.241) 10.491 23.533 ( -0.371 -2.014 2.174) 2.986 23.669 ( -3.028 -4.161 -1.037) 5.249 23.918 ( 2.388 -1.628 4.519) 5.365 24.133 ( 1.647 -1.824 -7.174) 7.583 ======================= Grid point 216 (116/128) ======================= q-point: (-0.43 -0.71 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.093 3.636 7.033) 7.918 1.789 ( -3.426 0.265 -0.098) 3.437 2.083 ( 4.491 -0.812 -6.087) 7.608 2.238 ( -11.107 -1.225 -3.986) 11.864 2.506 ( -2.132 -0.047 5.439) 5.842 2.579 ( -0.468 0.607 -3.702) 3.781 2.809 ( 1.035 3.212 7.585) 8.302 2.922 ( 11.005 16.058 7.231) 20.767 2.991 ( 2.240 -1.826 -6.408) 7.030 3.222 ( -6.602 6.254 -0.225) 9.097 3.352 ( 7.061 -0.102 0.693) 7.095 3.675 ( -5.906 0.247 -7.302) 9.395 3.793 ( 3.619 -12.758 10.274) 16.775 4.009 ( -2.203 -8.179 8.626) 12.090 4.107 ( 1.675 -10.053 -0.576) 10.208 4.365 ( -9.333 -10.148 0.723) 13.807 4.419 ( -2.406 -3.308 6.644) 7.802 4.543 ( 7.681 -6.860 0.934) 10.341 4.683 ( -5.753 -0.523 -0.297) 5.785 4.768 ( 0.098 -1.822 -7.142) 7.372 4.994 ( 3.701 0.844 8.200) 9.036 5.360 ( -3.525 -1.565 -13.118) 13.673 5.514 ( -7.909 2.648 10.296) 13.250 5.608 ( 8.740 4.070 -7.594) 12.273 5.781 ( -2.946 3.769 20.931) 21.471 6.016 ( -3.870 4.849 6.566) 9.034 6.229 ( -0.535 3.449 -4.656) 5.819 6.374 ( 8.006 4.495 -17.132) 19.437 6.597 ( 6.049 2.532 6.959) 9.562 6.736 ( -4.146 2.275 4.678) 6.652 6.846 ( 6.269 -1.429 -0.613) 6.459 6.947 ( -5.346 2.763 0.583) 6.046 7.101 ( 1.392 4.277 6.571) 7.963 7.322 ( 2.107 0.518 -7.385) 7.697 7.772 ( -6.712 3.871 7.872) 11.046 7.900 ( -0.624 1.408 8.136) 8.281 8.123 ( -0.725 -4.097 -7.165) 8.285 8.358 ( 2.734 1.409 -11.781) 12.176 8.532 ( 2.853 0.807 1.175) 3.190 8.715 ( 0.194 -1.193 -6.245) 6.361 9.164 ( -3.518 -6.352 11.118) 13.279 9.402 ( -1.245 -4.379 -9.552) 10.581 9.755 ( -1.799 -0.917 11.261) 11.441 10.023 ( 5.712 1.332 -14.434) 15.580 12.371 ( -1.287 -1.419 1.776) 2.612 12.514 ( -1.055 1.247 -6.264) 6.474 12.949 ( 5.128 2.438 0.460) 5.697 13.070 ( -3.922 -0.373 -0.198) 3.944 13.311 ( 1.902 -0.605 1.233) 2.346 13.458 ( -4.448 -0.806 -3.443) 5.683 14.045 ( -1.104 -5.775 3.814) 7.008 14.124 ( 0.199 -5.598 -3.132) 6.417 15.082 ( 0.046 5.978 10.360) 11.961 15.282 ( 3.311 5.513 -8.175) 10.401 17.184 ( -3.369 -0.555 10.435) 10.980 17.395 ( 1.720 -0.634 -9.725) 9.896 17.649 ( -1.695 -3.754 15.314) 15.859 17.992 ( -1.488 -1.407 -10.392) 10.592 18.495 ( 1.348 1.301 0.256) 1.891 18.527 ( -0.606 0.335 -0.975) 1.196 18.850 ( -0.116 -0.256 8.422) 8.427 19.064 ( 2.844 1.278 -10.034) 10.507 20.922 ( -4.820 0.521 12.948) 13.826 21.109 ( 1.144 -2.047 -7.158) 7.532 21.374 ( 0.778 4.840 9.864) 11.015 21.625 ( 1.067 2.810 -9.778) 10.230 22.393 ( -2.224 3.559 10.208) 11.037 22.605 ( 2.887 4.015 -10.120) 11.264 23.581 ( -0.127 -3.050 4.442) 5.390 23.706 ( -1.901 -4.304 -3.421) 5.817 23.990 ( 3.099 -2.394 3.500) 5.252 24.150 ( -0.380 -1.457 -6.047) 6.232 ======================= Grid point 217 (117/128) ======================= q-point: (-0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 5.596 -6.230 5.468) 10.002 1.773 ( -4.852 -4.121 -0.235) 6.370 2.088 ( -16.016 -2.317 1.697) 16.271 2.169 ( 5.674 -3.060 -5.358) 8.382 2.502 ( -0.795 0.447 4.315) 4.410 2.545 ( -0.542 1.120 -0.809) 1.484 2.709 ( 4.603 13.660 5.376) 15.385 2.897 ( -3.232 10.685 -10.590) 15.387 2.956 ( 11.343 1.493 7.960) 13.938 3.105 ( -4.597 -3.356 -6.527) 8.660 3.431 ( 4.777 0.285 5.228) 7.088 3.564 ( -4.762 2.715 -7.297) 9.127 3.997 ( 0.414 -5.481 8.302) 9.956 4.093 ( -2.018 -1.930 2.547) 3.780 4.257 ( 0.688 -1.567 10.801) 10.936 4.416 ( -5.174 -6.581 1.426) 8.492 4.461 ( 3.214 -0.389 9.511) 10.047 4.591 ( -5.002 -0.457 1.482) 5.237 4.755 ( -5.561 -10.676 -1.897) 12.186 4.834 ( 7.943 -7.825 -5.691) 12.518 5.003 ( -4.062 4.513 15.655) 16.791 5.342 ( 1.522 -1.786 -17.252) 17.411 5.431 ( -0.706 3.429 5.451) 6.478 5.596 ( 3.078 3.158 -2.853) 5.252 5.745 ( -4.367 1.920 20.898) 21.435 5.943 ( -3.176 1.503 4.102) 5.401 6.139 ( -0.190 3.575 -11.397) 11.946 6.304 ( 7.071 8.257 -16.849) 20.052 6.644 ( 3.680 1.962 3.782) 5.630 6.671 ( -6.027 -1.394 6.116) 8.699 6.863 ( -1.264 1.008 1.971) 2.550 6.907 ( 0.167 0.649 -2.064) 2.170 7.115 ( 1.591 1.983 8.037) 8.430 7.298 ( 2.799 0.826 -5.566) 6.284 7.716 ( -3.652 -0.364 7.563) 8.407 7.868 ( -1.323 1.560 -2.583) 3.295 8.187 ( 1.544 -5.188 -1.373) 5.584 8.329 ( 0.929 0.985 -9.533) 9.629 8.563 ( 3.558 1.000 4.403) 5.748 8.696 ( -0.947 0.410 -8.945) 9.004 9.278 ( -0.977 -7.403 9.857) 12.366 9.410 ( -2.562 -1.244 -1.333) 3.144 9.791 ( 0.267 -1.657 3.845) 4.196 9.994 ( 3.672 3.844 -13.992) 14.968 12.400 ( 0.271 -2.088 2.658) 3.391 12.483 ( -0.307 -0.221 -5.127) 5.141 12.977 ( 5.127 1.451 1.459) 5.524 13.013 ( -4.789 0.458 -2.215) 5.296 13.383 ( 3.103 -3.272 2.075) 4.964 13.434 ( -2.768 -2.701 -3.040) 4.919 14.117 ( -1.394 -3.271 4.437) 5.686 14.191 ( 0.580 -3.334 -2.850) 4.425 15.007 ( -1.649 5.853 9.726) 11.471 15.196 ( 2.029 5.596 -9.254) 11.003 17.191 ( -2.586 -0.572 10.932) 11.248 17.397 ( 1.586 -0.852 -9.745) 9.910 17.736 ( -0.830 -3.716 14.570) 15.059 17.986 ( -0.166 -2.244 -10.649) 10.884 18.497 ( 1.889 0.427 0.367) 1.972 18.513 ( -1.066 0.216 -1.123) 1.563 18.860 ( -0.989 1.188 7.802) 7.954 19.032 ( 1.679 2.367 -9.492) 9.926 20.910 ( -3.776 0.073 14.383) 14.871 21.123 ( -0.645 -1.831 -4.013) 4.458 21.337 ( -0.055 3.897 9.047) 9.851 21.591 ( 3.049 0.126 -13.670) 14.006 22.353 ( -2.548 1.692 10.101) 10.554 22.553 ( 2.380 2.474 -9.828) 10.410 23.638 ( -0.438 -2.676 5.231) 5.892 23.732 ( -0.427 -2.060 -4.011) 4.529 24.064 ( 4.073 -1.230 1.301) 4.449 24.123 ( -2.549 1.281 -4.626) 5.435 ======================= Grid point 218 (118/128) ======================= q-point: (-0.14 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -7.930 -7.712 -0.411) 11.070 1.848 ( -1.766 -3.858 5.379) 6.851 2.033 ( -7.585 -7.060 3.438) 10.917 2.299 ( 7.467 -6.144 -1.032) 9.725 2.452 ( -2.113 5.756 2.481) 6.615 2.554 ( 1.553 0.923 -3.639) 4.062 2.588 ( 4.505 8.058 11.920) 15.077 2.696 ( -0.278 5.565 -11.117) 12.435 3.083 ( -0.439 -1.637 -6.255) 6.480 3.102 ( 7.314 -1.325 2.035) 7.707 3.448 ( -4.116 0.011 -1.682) 4.446 3.512 ( 1.847 -1.304 -1.242) 2.579 3.998 ( -1.564 6.605 6.046) 9.090 4.034 ( -2.506 3.570 1.919) 4.765 4.217 ( -5.061 6.451 15.895) 17.886 4.445 ( -1.656 0.269 7.653) 7.834 4.550 ( 1.971 4.923 -2.573) 5.894 4.578 ( 6.352 -4.178 -1.075) 7.679 4.790 ( -7.040 8.135 7.287) 12.994 4.897 ( -7.599 -11.992 2.254) 14.374 5.040 ( 4.263 -6.118 -0.148) 7.458 5.248 ( 4.392 13.840 -12.685) 19.281 5.461 ( 3.967 -0.635 14.676) 15.216 5.576 ( -3.098 -0.693 -4.068) 5.160 5.776 ( -2.298 -3.199 19.503) 19.897 5.951 ( -1.262 -2.880 3.687) 4.846 6.088 ( -1.655 -3.512 -13.861) 14.394 6.228 ( 6.992 3.725 -14.914) 16.887 6.537 ( -8.482 2.930 0.897) 9.019 6.765 ( 6.045 -2.636 1.276) 6.717 6.871 ( -4.384 -4.326 0.061) 6.159 6.894 ( 1.565 -0.573 0.568) 1.761 7.059 ( -2.175 6.322 10.815) 12.715 7.336 ( 3.059 -1.004 -7.418) 8.086 7.733 ( -1.236 -3.607 4.134) 5.624 7.857 ( -0.275 -2.375 -0.966) 2.579 8.253 ( -1.549 -0.511 -1.584) 2.274 8.322 ( 3.557 -2.095 -5.494) 6.872 8.580 ( 1.271 2.303 3.087) 4.055 8.647 ( 0.935 2.013 -8.467) 8.753 9.354 ( -6.162 -0.591 6.336) 8.858 9.437 ( 2.122 -4.786 8.611) 10.078 9.815 ( 0.413 -0.167 -4.324) 4.347 9.914 ( 3.313 5.516 -12.685) 14.223 12.450 ( 1.407 -2.299 1.610) 3.139 12.483 ( 0.374 -1.195 -4.397) 4.572 12.950 ( -5.876 -1.493 -3.065) 6.794 13.033 ( 5.170 -0.448 2.286) 5.671 13.418 ( -4.450 -3.374 -1.028) 5.678 13.503 ( 4.053 -3.686 -0.341) 5.489 14.122 ( -1.451 2.537 4.721) 5.553 14.208 ( 1.289 1.900 -2.810) 3.629 14.942 ( -2.507 2.558 9.463) 10.118 15.134 ( 3.027 1.857 -9.184) 9.846 17.204 ( -2.224 -0.386 11.365) 11.587 17.401 ( 1.509 -0.835 -9.073) 9.235 17.796 ( -3.756 -1.050 11.576) 12.215 18.003 ( 1.788 -3.171 -7.290) 8.148 18.490 ( -1.814 0.313 -1.603) 2.441 18.524 ( 2.367 -0.681 -0.433) 2.500 18.839 ( -1.529 2.231 6.958) 7.466 18.987 ( 2.255 2.428 -8.456) 9.082 20.919 ( -2.743 -0.446 14.497) 14.761 21.133 ( 0.741 -0.963 -6.762) 6.870 21.317 ( -3.236 -0.597 12.101) 12.540 21.606 ( 3.503 -2.331 -14.304) 14.910 22.348 ( -2.367 -0.814 9.378) 9.706 22.533 ( 2.707 0.156 -8.916) 9.319 23.662 ( -2.892 -0.735 2.903) 4.163 23.749 ( 2.855 0.153 -0.944) 3.011 24.033 ( -4.076 4.427 -2.822) 6.647 24.111 ( 4.522 1.091 -1.393) 4.856 ======================= Grid point 222 (119/128) ======================= q-point: (-0.57 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -7.875 -0.000 8.937) 11.911 1.830 ( 0.729 0.000 -0.427) 0.845 2.130 ( -3.444 -0.000 2.844) 4.467 2.222 ( -0.615 -0.000 -6.896) 6.923 2.495 ( -0.552 -0.000 3.249) 3.296 2.510 ( -0.321 -0.000 -5.390) 5.400 2.875 ( 3.128 0.000 8.472) 9.031 3.064 ( -1.531 -0.000 -1.766) 2.337 3.097 ( 12.716 0.000 -2.264) 12.916 3.293 ( -8.403 -0.000 0.326) 8.409 3.354 ( 6.523 0.000 11.035) 12.819 3.533 ( -2.306 -0.000 2.596) 3.472 3.673 ( 0.037 0.000 9.772) 9.772 3.859 ( -0.349 -0.000 -4.557) 4.570 3.893 ( 0.884 0.000 -7.162) 7.216 4.136 ( -12.852 -0.000 -6.733) 14.509 4.340 ( -4.798 -0.000 10.987) 11.989 4.432 ( 9.730 0.000 -4.975) 10.928 4.695 ( -2.086 -0.000 5.876) 6.235 4.770 ( 3.224 0.000 -9.739) 10.259 5.001 ( 2.143 0.000 7.386) 7.690 5.355 ( -5.826 -0.000 -12.743) 14.012 5.540 ( -9.512 -0.000 11.504) 14.927 5.670 ( 11.710 0.000 -12.693) 17.269 5.829 ( -2.776 -0.000 25.391) 25.543 6.189 ( -8.045 -0.000 20.058) 21.611 6.210 ( 3.590 0.000 -12.430) 12.938 6.435 ( 7.819 0.000 -12.975) 15.149 6.636 ( 4.951 0.000 10.456) 11.569 6.764 ( 4.504 0.000 9.664) 10.662 6.844 ( 1.553 0.000 -12.138) 12.237 7.027 ( -7.900 -0.000 0.243) 7.904 7.225 ( -0.795 -0.000 4.447) 4.518 7.319 ( 5.529 0.000 -6.625) 8.629 7.870 ( -5.845 -0.000 5.183) 7.812 7.921 ( -2.693 -0.000 18.382) 18.578 8.044 ( -2.650 -0.000 -7.609) 8.057 8.393 ( 6.028 0.000 -18.133) 19.109 8.557 ( 3.110 0.000 0.125) 3.113 8.684 ( -0.067 -0.000 -2.844) 2.845 9.038 ( -6.823 -0.000 13.439) 15.072 9.297 ( 1.808 0.000 -16.454) 16.553 9.745 ( -4.542 -0.000 15.848) 16.486 10.035 ( 6.802 0.000 -15.822) 17.222 12.350 ( -1.620 -0.000 2.360) 2.863 12.544 ( -2.060 -0.000 -8.844) 9.080 13.011 ( -0.410 -0.000 2.811) 2.841 13.021 ( 2.893 0.000 -0.437) 2.926 13.344 ( -0.889 -0.000 -0.356) 0.958 13.450 ( -5.137 -0.000 -3.981) 6.499 13.927 ( 0.410 0.000 3.537) 3.560 14.013 ( 0.111 0.000 -2.868) 2.870 15.188 ( 0.515 0.000 10.612) 10.625 15.378 ( 3.940 0.000 -7.305) 8.300 17.173 ( -3.514 -0.000 10.335) 10.917 17.385 ( 1.460 0.000 -10.153) 10.258 17.587 ( -0.627 -0.000 16.484) 16.495 17.969 ( -3.267 -0.000 -10.636) 11.126 18.516 ( 1.253 0.000 -0.506) 1.352 18.541 ( -0.754 -0.000 -0.852) 1.137 18.838 ( 0.725 0.000 9.467) 9.495 19.080 ( 2.976 0.000 -10.773) 11.176 20.924 ( -7.709 -0.000 13.066) 15.170 21.077 ( 5.452 0.000 -10.621) 11.938 21.471 ( 1.693 0.000 8.167) 8.341 21.689 ( -2.045 -0.000 -4.661) 5.090 22.477 ( -1.499 -0.000 10.504) 10.611 22.692 ( 3.377 0.000 -9.513) 10.095 23.529 ( 1.431 0.000 0.939) 1.711 23.600 ( -2.940 -0.000 -0.261) 2.952 23.936 ( 1.307 0.000 5.252) 5.412 24.110 ( 0.808 0.000 -7.834) 7.875 ======================= Grid point 223 (120/128) ======================= q-point: (-0.43 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -2.562 4.744 8.785) 10.307 1.807 ( 0.208 4.222 0.735) 4.290 2.079 ( -7.921 1.607 3.331) 8.742 2.155 ( -1.505 2.262 -3.174) 4.178 2.486 ( -2.640 -0.881 3.000) 4.092 2.553 ( 1.433 -3.850 -3.283) 5.259 2.889 ( 2.491 3.495 5.305) 6.823 2.997 ( 1.224 2.616 -5.001) 5.775 3.231 ( -0.800 0.303 3.305) 3.414 3.276 ( 4.134 6.219 -1.161) 7.558 3.427 ( 5.451 1.123 1.851) 5.865 3.451 ( -3.353 -6.370 5.755) 9.216 3.806 ( -3.819 1.522 -1.191) 4.280 3.852 ( 4.004 -7.309 -0.035) 8.334 3.928 ( -3.685 -11.698 5.918) 13.618 4.106 ( -4.525 -9.109 -3.005) 10.606 4.372 ( -1.525 -4.872 9.650) 10.917 4.528 ( 5.514 -4.214 -7.013) 9.866 4.649 ( -5.419 2.283 3.453) 6.819 4.780 ( 5.109 1.089 -9.326) 10.689 5.047 ( 0.439 -0.265 10.897) 10.909 5.252 ( -7.212 -0.198 -9.864) 12.221 5.481 ( -6.194 0.524 9.736) 11.552 5.736 ( 10.188 2.083 -11.453) 15.469 5.856 ( -2.140 1.854 19.808) 20.009 6.085 ( -5.685 6.262 12.130) 14.787 6.244 ( 1.493 -0.624 -7.656) 7.825 6.467 ( 8.183 2.403 -12.452) 15.093 6.629 ( -8.874 -0.656 14.916) 17.368 6.776 ( -1.454 4.437 -5.134) 6.940 6.904 ( 5.392 0.351 0.816) 5.465 6.934 ( 0.559 1.127 -1.921) 2.296 7.197 ( 1.091 4.007 4.614) 6.208 7.355 ( 6.055 1.362 -10.324) 12.046 7.802 ( -5.579 3.784 13.113) 14.745 7.934 ( -1.230 1.678 7.004) 7.306 8.029 ( -1.909 -4.252 -1.046) 4.777 8.381 ( 4.299 2.016 -18.681) 19.275 8.583 ( 3.042 0.912 2.196) 3.861 8.673 ( -1.496 -1.066 -5.785) 6.069 9.059 ( -4.290 -5.749 12.602) 14.501 9.316 ( 3.366 -3.420 -13.367) 14.202 9.744 ( -4.466 -0.912 14.757) 15.445 10.054 ( 5.461 0.559 -15.846) 16.770 12.356 ( -0.197 -0.705 4.920) 4.974 12.492 ( -1.907 0.473 -8.140) 8.374 13.010 ( -0.661 0.330 1.960) 2.095 13.050 ( 2.934 0.588 -1.866) 3.526 13.341 ( 2.430 0.623 1.717) 3.040 13.391 ( -4.505 -0.248 -3.320) 5.602 13.972 ( -0.137 -3.875 3.658) 5.331 14.038 ( -0.120 -4.231 -3.004) 5.190 15.183 ( -1.244 3.832 9.874) 10.665 15.361 ( 1.990 3.552 -7.991) 8.969 17.173 ( -2.639 -0.414 10.660) 10.990 17.377 ( 1.751 -0.391 -9.794) 9.957 17.650 ( 1.471 -1.622 15.934) 16.084 17.924 ( -1.168 -1.312 -11.628) 11.760 18.520 ( 0.507 0.703 -0.110) 0.874 18.526 ( -0.583 0.441 -0.751) 1.048 18.869 ( -0.312 -0.223 9.071) 9.079 19.071 ( 1.503 0.375 -11.116) 11.224 20.886 ( -7.419 -0.913 13.302) 15.258 21.108 ( 4.990 0.049 -8.771) 10.091 21.484 ( 1.994 4.056 8.399) 9.538 21.640 ( -0.897 1.584 -7.159) 7.386 22.457 ( -2.239 3.546 10.627) 11.425 22.665 ( 2.191 3.531 -10.143) 10.961 23.556 ( 0.465 -1.445 3.316) 3.647 23.618 ( -0.210 -4.446 -2.769) 5.242 23.981 ( 1.075 -2.639 4.923) 5.689 24.103 ( -0.619 -1.316 -7.302) 7.446 ======================= Grid point 224 (121/128) ======================= q-point: (-0.29 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.607 -0.643 4.327) 4.660 1.739 ( 1.217 3.549 0.358) 3.769 1.917 ( -14.459 0.640 7.410) 16.260 2.192 ( 4.254 -1.852 2.003) 5.053 2.491 ( -1.328 -1.138 4.740) 5.053 2.583 ( 2.093 1.500 -2.337) 3.477 2.864 ( -0.290 4.188 4.111) 5.876 2.982 ( 1.587 1.074 -8.836) 9.041 3.057 ( -5.610 10.931 -4.602) 13.120 3.206 ( 10.902 9.342 2.141) 14.516 3.445 ( -9.752 -4.474 -6.490) 12.539 3.530 ( 4.790 2.752 4.796) 7.316 3.881 ( -1.197 -13.391 6.692) 15.018 4.003 ( 2.753 -8.013 -3.087) 9.017 4.142 ( -7.321 -16.423 10.434) 20.789 4.191 ( -3.396 -5.974 9.118) 11.417 4.495 ( 2.914 -4.873 9.245) 10.849 4.537 ( -5.639 0.965 -0.861) 5.785 4.629 ( 0.095 -2.962 -5.938) 6.636 4.835 ( 10.936 -3.164 -7.769) 13.783 5.056 ( -5.174 1.707 14.814) 15.784 5.181 ( -5.688 -4.850 -11.075) 13.361 5.458 ( -0.014 0.387 3.752) 3.772 5.746 ( 5.661 5.912 -2.676) 8.612 5.816 ( -3.436 5.511 17.452) 18.621 5.989 ( -2.199 3.663 7.912) 8.992 6.190 ( 1.577 5.896 -13.663) 14.964 6.451 ( 6.718 5.894 -13.187) 15.930 6.587 ( -8.472 -0.751 6.489) 10.698 6.684 ( -5.244 0.155 4.489) 6.905 6.841 ( -1.609 2.707 -0.324) 3.166 6.975 ( 3.646 3.808 -0.707) 5.319 7.204 ( 5.740 1.685 3.513) 6.937 7.332 ( 2.324 3.038 -9.863) 10.578 7.737 ( -2.930 3.127 14.154) 14.788 7.878 ( -1.914 3.045 -1.591) 3.933 8.125 ( 1.993 -5.976 5.575) 8.412 8.334 ( 2.473 2.062 -16.342) 16.656 8.606 ( 0.306 -0.043 2.188) 2.210 8.656 ( 0.117 -0.916 -7.838) 7.893 9.173 ( -1.695 -8.032 11.508) 14.135 9.367 ( 2.437 -2.330 -7.034) 7.800 9.766 ( -2.639 -2.422 9.488) 10.142 10.038 ( 3.600 2.233 -15.440) 16.011 12.390 ( 1.071 -1.278 5.325) 5.580 12.458 ( -0.656 -0.435 -6.157) 6.207 12.964 ( -4.574 1.731 -0.822) 4.959 13.074 ( 5.367 1.809 -0.579) 5.693 13.347 ( -3.380 -1.010 -1.940) 4.026 13.401 ( 4.558 -2.185 1.664) 5.322 14.049 ( -0.689 -5.131 4.273) 6.712 14.113 ( 0.409 -5.990 -2.845) 6.644 15.107 ( -3.035 6.247 9.068) 11.422 15.278 ( 0.834 5.715 -8.826) 10.548 17.187 ( -2.182 -0.660 10.992) 11.226 17.379 ( 2.108 -0.525 -8.966) 9.225 17.743 ( 2.769 -1.829 14.506) 14.881 17.918 ( 0.180 -2.412 -11.494) 11.746 18.507 ( -0.850 0.503 -0.940) 1.363 18.517 ( 0.690 0.538 -0.031) 0.876 18.881 ( -1.653 0.483 8.261) 8.438 19.041 ( 0.548 0.828 -10.657) 10.703 20.873 ( -6.510 -2.170 13.669) 15.295 21.123 ( 3.071 1.148 -3.895) 5.091 21.435 ( -0.107 5.878 6.615) 8.850 21.600 ( 2.487 1.348 -10.670) 11.038 22.399 ( -2.701 3.912 10.463) 11.492 22.596 ( 1.620 3.785 -10.103) 10.910 23.599 ( -0.975 -2.768 4.020) 4.978 23.689 ( 2.516 -3.877 -3.022) 5.522 24.060 ( 1.699 -3.880 2.915) 5.142 24.086 ( -2.343 -0.593 -6.079) 6.542 ======================= Grid point 225 (122/128) ======================= q-point: (-0.14 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -5.689 0.373 -1.698) 5.948 1.811 ( 1.419 -2.336 5.227) 5.899 1.896 ( -2.030 -6.366 8.026) 10.443 2.284 ( 3.617 -4.227 4.275) 7.016 2.515 ( -1.353 -0.707 1.485) 2.130 2.531 ( -2.059 5.184 3.269) 6.465 2.743 ( -1.321 7.706 -3.677) 8.640 2.841 ( 2.394 8.258 -2.117) 8.855 3.008 ( 1.205 -1.129 -10.702) 10.829 3.226 ( 9.148 3.032 1.482) 9.751 3.383 ( -7.176 -2.494 -5.445) 9.347 3.531 ( 1.402 2.619 4.102) 5.065 4.027 ( -0.358 -2.688 5.205) 5.868 4.048 ( -2.652 1.181 0.112) 2.905 4.216 ( -7.540 -4.316 5.964) 10.538 4.401 ( -0.215 -11.142 13.743) 17.694 4.498 ( -5.425 -9.633 6.235) 12.693 4.591 ( -3.605 0.337 -3.836) 5.275 4.649 ( 5.031 -3.182 5.892) 8.375 4.924 ( -4.757 11.031 6.560) 13.688 5.009 ( 6.015 -4.857 -1.721) 7.921 5.278 ( 1.509 -12.293 -13.629) 18.416 5.487 ( -0.122 -2.260 3.330) 4.026 5.643 ( 0.215 11.109 6.950) 13.105 5.776 ( -1.774 0.661 17.435) 17.537 5.965 ( 3.010 2.171 1.352) 3.950 6.056 ( -0.236 6.343 -13.234) 14.678 6.374 ( 7.126 8.094 -10.482) 15.039 6.486 ( -7.089 1.969 -3.218) 8.030 6.700 ( -7.683 -6.637 5.960) 11.773 6.815 ( 1.140 0.445 1.047) 1.610 6.933 ( 1.441 3.301 -0.529) 3.641 7.176 ( 0.072 7.086 1.829) 7.318 7.327 ( 1.820 -1.549 -4.618) 5.200 7.727 ( 1.255 0.619 6.940) 7.079 7.835 ( -0.959 0.354 3.821) 3.955 8.223 ( -0.294 -1.461 -1.029) 1.811 8.311 ( 4.102 -1.785 -9.207) 10.237 8.578 ( -2.968 0.274 -6.505) 7.155 8.676 ( 2.922 -0.081 -0.656) 2.995 9.287 ( -2.310 -4.132 6.869) 8.342 9.414 ( 1.573 -3.098 4.971) 6.065 9.800 ( -0.548 -1.567 0.485) 1.729 9.979 ( 2.412 3.851 -14.006) 14.725 12.438 ( 1.127 -1.633 1.317) 2.381 12.458 ( 0.751 -1.274 -2.319) 2.750 12.885 ( -4.497 1.187 -2.152) 5.125 13.097 ( 4.109 1.599 0.918) 4.504 13.334 ( -2.834 -1.903 -1.394) 3.688 13.492 ( 3.881 -2.774 0.434) 4.791 14.120 ( -0.698 -2.735 4.545) 5.350 14.195 ( 1.010 -3.998 -2.282) 4.713 14.999 ( -3.760 5.430 8.272) 10.585 15.183 ( 1.616 4.135 -8.787) 9.845 17.204 ( -2.290 -0.612 11.100) 11.350 17.386 ( 2.221 -0.402 -7.564) 7.894 17.808 ( -0.183 1.232 9.507) 9.588 17.947 ( 2.334 -3.939 -6.738) 8.147 18.480 ( -1.404 0.884 -1.660) 2.347 18.529 ( 1.088 -0.661 -0.423) 1.341 18.866 ( -2.480 1.304 7.395) 7.908 19.008 ( 1.293 0.840 -9.462) 9.587 20.887 ( -5.372 -2.733 13.432) 14.722 21.129 ( 2.039 0.366 0.203) 2.081 21.355 ( -2.164 4.808 5.492) 7.613 21.590 ( 3.997 0.222 -13.425) 14.009 22.354 ( -2.665 1.642 10.049) 10.525 22.546 ( 2.097 1.555 -9.581) 9.930 23.628 ( -1.771 -1.441 2.725) 3.555 23.767 ( 3.999 -2.366 -0.444) 4.668 24.029 ( -3.816 1.895 -4.754) 6.384 24.137 ( 2.375 -2.371 0.075) 3.357 ======================= Grid point 230 (123/128) ======================= q-point: (-0.43 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.878 -0.000 8.368) 8.576 1.878 ( 1.898 0.000 4.420) 4.811 2.068 ( -4.294 -0.000 5.017) 6.604 2.116 ( -8.115 -0.000 3.320) 8.768 2.458 ( -1.560 -0.000 0.695) 1.708 2.517 ( 2.402 0.000 -0.137) 2.406 2.995 ( 3.779 0.000 4.294) 5.720 2.996 ( -2.498 -0.000 -1.995) 3.196 3.115 ( -4.847 -0.000 -4.050) 6.316 3.352 ( 10.786 0.000 -5.065) 11.916 3.491 ( 0.146 0.000 10.668) 10.669 3.498 ( -0.870 -0.000 -1.340) 1.597 3.693 ( -15.033 -0.000 -0.920) 15.061 3.752 ( -2.166 -0.000 5.416) 5.833 3.981 ( 12.847 0.000 4.900) 13.749 4.003 ( 4.946 0.000 -9.955) 11.116 4.317 ( -5.026 -0.000 10.016) 11.206 4.511 ( 1.343 0.000 -8.157) 8.267 4.619 ( -5.019 -0.000 3.629) 6.193 4.825 ( 5.252 0.000 -8.044) 9.606 5.054 ( -5.914 -0.000 16.528) 17.555 5.160 ( -4.746 -0.000 -8.427) 9.672 5.471 ( -1.041 -0.000 6.852) 6.931 5.820 ( 9.773 0.000 -14.635) 17.598 5.900 ( -2.483 -0.000 19.954) 20.108 6.105 ( -10.012 -0.000 17.493) 20.155 6.228 ( 4.626 0.000 -14.446) 15.169 6.535 ( 6.583 0.000 -10.629) 12.502 6.555 ( -11.090 -0.000 18.134) 21.256 6.712 ( -10.703 -0.000 -5.408) 11.992 6.922 ( 2.261 0.000 -5.736) 6.165 7.038 ( 9.295 0.000 0.865) 9.335 7.261 ( 3.872 0.000 0.306) 3.885 7.404 ( 5.401 0.000 -12.300) 13.434 7.823 ( -4.390 -0.000 17.678) 18.215 7.944 ( -1.544 -0.000 -4.945) 5.180 7.994 ( 0.998 0.000 13.360) 13.397 8.389 ( 4.112 0.000 -22.070) 22.450 8.623 ( -3.702 -0.000 -3.896) 5.375 8.627 ( 2.342 0.000 1.360) 2.708 9.001 ( -3.393 -0.000 13.617) 14.033 9.309 ( 7.176 0.000 -14.094) 15.816 9.722 ( -5.941 -0.000 15.512) 16.610 10.067 ( 4.571 0.000 -16.296) 16.925 12.374 ( 1.317 0.000 7.561) 7.675 12.452 ( -1.811 -0.000 -7.356) 7.576 13.006 ( -1.042 -0.000 0.978) 1.429 13.081 ( 2.821 0.000 -3.866) 4.786 13.349 ( -1.996 -0.000 -0.992) 2.229 13.383 ( 3.591 0.000 2.684) 4.483 13.952 ( 0.048 0.000 3.350) 3.350 13.990 ( -0.623 -0.000 -2.903) 2.969 15.216 ( -3.190 -0.000 9.014) 9.561 15.377 ( 0.082 0.000 -8.298) 8.298 17.174 ( -2.220 -0.000 10.944) 11.167 17.371 ( 2.700 0.000 -9.505) 9.881 17.713 ( 4.432 0.000 15.196) 15.829 17.875 ( 0.346 0.000 -12.445) 12.450 18.516 ( -1.385 -0.000 -0.580) 1.502 18.532 ( 0.599 0.000 0.083) 0.604 18.884 ( -1.391 -0.000 8.899) 9.008 19.049 ( -0.067 -0.000 -11.714) 11.714 20.834 ( -7.550 -0.000 13.688) 15.632 21.145 ( 6.098 0.000 -9.294) 11.116 21.572 ( 3.531 0.000 7.266) 8.079 21.613 ( -2.022 -0.000 -6.174) 6.496 22.491 ( -2.760 -0.000 10.532) 10.888 22.684 ( 0.903 0.000 -10.133) 10.173 23.550 ( -1.368 -0.000 -0.998) 1.693 23.588 ( 3.678 0.000 0.769) 3.758 23.976 ( -0.383 -0.000 5.711) 5.723 24.062 ( -1.316 -0.000 -7.495) 7.610 ======================= Grid point 231 (124/128) ======================= q-point: (-0.29 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.722 1.218 5.288) 6.580 1.856 ( -1.635 4.290 10.916) 11.842 1.881 ( -4.568 9.959 3.058) 11.376 2.171 ( -1.481 -5.617 6.474) 8.698 2.458 ( -2.667 -1.815 3.118) 4.487 2.592 ( 2.995 -3.598 -1.522) 4.923 2.912 ( -1.798 3.554 -0.174) 3.986 3.010 ( 3.160 4.214 -7.558) 9.212 3.145 ( -6.049 -9.661 -0.594) 11.414 3.223 ( -3.834 15.149 -2.449) 15.817 3.443 ( -3.907 3.982 -4.125) 6.938 3.616 ( 0.905 -1.942 4.703) 5.168 3.672 ( 8.560 -10.062 3.893) 13.772 3.826 ( -4.429 -11.340 4.370) 12.935 4.030 ( 3.512 -0.776 -0.291) 3.609 4.141 ( 1.257 -1.757 8.204) 8.484 4.362 ( -3.303 -11.124 0.520) 11.615 4.506 ( -0.517 -1.453 -2.893) 3.278 4.597 ( -1.408 -0.497 3.482) 3.788 4.850 ( 1.853 -2.535 -7.684) 8.301 5.023 ( -8.520 -0.531 17.684) 19.637 5.118 ( 2.501 1.356 -7.325) 7.858 5.481 ( 0.632 0.815 2.839) 3.020 5.847 ( 3.197 2.868 -0.902) 4.388 5.911 ( -0.324 3.267 9.013) 9.592 6.015 ( -7.454 2.003 14.270) 16.224 6.231 ( 3.247 0.943 -15.801) 16.159 6.505 ( -7.211 0.443 15.659) 17.245 6.546 ( -3.181 -1.407 -2.463) 4.262 6.591 ( -2.271 2.285 -13.637) 14.012 6.914 ( 3.417 3.777 -2.650) 5.742 7.069 ( 2.313 3.911 0.401) 4.561 7.290 ( 4.647 1.363 -1.976) 5.230 7.376 ( 1.325 3.706 -13.040) 13.621 7.809 ( -1.765 3.580 18.455) 18.882 7.918 ( 1.393 2.626 -0.397) 2.999 8.083 ( 2.046 -4.776 9.432) 10.769 8.347 ( 2.930 2.085 -20.501) 20.814 8.569 ( -4.488 -0.273 -3.563) 5.737 8.650 ( 1.337 -0.655 -0.367) 1.533 9.075 ( -0.892 -6.810 13.398) 15.055 9.366 ( 7.526 -1.027 -11.395) 13.695 9.717 ( -5.321 -2.345 12.803) 14.062 10.055 ( 3.050 1.123 -16.145) 16.468 12.412 ( 1.096 0.093 3.598) 3.763 12.430 ( 0.586 -0.771 -0.995) 1.388 12.965 ( -2.081 3.260 -0.885) 3.967 13.114 ( 2.399 -2.102 -3.623) 4.827 13.328 ( 0.349 1.901 0.130) 1.937 13.440 ( 4.967 -0.683 3.299) 6.002 13.984 ( -0.794 -3.479 3.367) 4.906 14.019 ( 0.019 -5.059 -2.524) 5.654 15.167 ( -5.020 3.720 8.199) 10.308 15.322 ( -1.117 3.147 -8.840) 9.450 17.185 ( -2.282 -0.446 11.173) 11.412 17.380 ( 3.528 -0.083 -8.885) 9.560 17.814 ( 6.154 -0.291 13.446) 14.790 17.864 ( 1.769 -1.429 -12.248) 12.457 18.496 ( -1.871 0.139 -0.694) 2.001 18.533 ( 0.546 0.638 0.197) 0.862 18.885 ( -2.723 0.153 8.190) 8.632 19.012 ( -0.979 -0.303 -11.241) 11.288 20.810 ( -6.664 -1.610 14.228) 15.794 21.174 ( 5.069 1.199 -7.192) 8.880 21.530 ( -1.372 5.256 1.083) 5.539 21.626 ( 3.528 0.812 -2.735) 4.537 22.458 ( -3.130 3.513 10.165) 11.201 22.633 ( 0.055 3.015 -9.758) 10.213 23.559 ( -0.376 -2.327 0.257) 2.371 23.660 ( 4.290 -3.305 -0.617) 5.450 24.013 ( -0.730 -3.629 4.658) 5.949 24.031 ( -2.392 -0.862 -6.669) 7.137 ======================= Grid point 232 (125/128) ======================= q-point: (-0.14 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -0.334 7.910 2.891) 8.428 1.845 ( 4.037 -0.707 9.074) 9.956 1.859 ( 4.076 -0.071 4.086) 5.772 2.251 ( -0.115 -4.228 4.783) 6.385 2.474 ( -4.036 -3.805 4.449) 7.111 2.600 ( -0.935 5.749 1.189) 5.944 2.837 ( -0.936 5.195 0.090) 5.280 2.933 ( -3.692 6.411 -12.138) 14.215 2.987 ( -0.656 2.959 -5.660) 6.420 3.218 ( -3.225 -6.841 -2.148) 7.862 3.367 ( 2.571 3.707 -0.967) 4.613 3.611 ( 0.582 4.988 2.126) 5.453 3.941 ( 5.876 -9.858 -3.726) 12.066 4.002 ( -4.132 -13.558 8.403) 16.478 4.080 ( 0.770 -1.257 6.684) 6.845 4.135 ( -9.507 -7.969 12.070) 17.308 4.483 ( -2.252 -0.604 4.768) 5.308 4.570 ( 1.204 -5.961 2.848) 6.715 4.604 ( -1.477 -3.246 2.547) 4.382 4.949 ( -0.547 -8.484 -0.394) 8.511 5.025 ( -3.419 -7.143 3.492) 8.655 5.103 ( 7.978 5.459 -7.781) 12.409 5.469 ( -1.427 0.616 -0.092) 1.557 5.798 ( -3.780 6.124 14.779) 16.438 5.833 ( -4.072 4.178 13.594) 14.793 6.011 ( 2.536 0.449 0.192) 2.583 6.178 ( 6.548 6.134 -18.147) 20.244 6.420 ( -9.915 1.074 -1.776) 10.130 6.526 ( 6.534 5.662 -15.179) 17.468 6.540 ( -5.948 -3.579 10.405) 12.508 6.871 ( 1.627 4.303 1.591) 4.868 7.010 ( 1.305 4.947 -1.314) 5.282 7.266 ( -1.508 5.921 -8.439) 10.418 7.305 ( 0.009 -0.830 -1.617) 1.818 7.795 ( 0.632 3.096 14.534) 14.874 7.885 ( 1.865 4.055 2.441) 5.087 8.197 ( 1.462 -3.334 3.387) 4.972 8.304 ( 3.365 0.015 -15.551) 15.911 8.522 ( -3.642 -0.683 -4.432) 5.777 8.680 ( 0.980 -1.836 -0.772) 2.219 9.219 ( 0.343 -6.591 10.934) 12.772 9.417 ( 3.936 -0.399 -1.780) 4.338 9.752 ( -2.011 -3.795 4.116) 5.949 10.007 ( 1.567 2.499 -15.347) 15.628 12.419 ( 0.228 -1.077 -2.507) 2.738 12.468 ( 2.201 -0.128 4.590) 5.092 12.883 ( -1.898 3.582 -1.531) 4.333 13.152 ( 2.101 0.068 -1.671) 2.685 13.307 ( 0.812 1.098 0.161) 1.375 13.511 ( 4.212 -0.720 1.685) 4.593 14.058 ( -0.884 -5.586 4.336) 7.126 14.112 ( 0.882 -6.706 -2.428) 7.187 15.057 ( -5.642 5.393 7.470) 10.804 15.228 ( -0.732 3.912 -8.901) 9.750 17.199 ( -2.679 -0.621 11.140) 11.475 17.395 ( 3.604 0.116 -7.767) 8.563 17.851 ( 0.425 1.183 -2.239) 2.567 17.932 ( 6.778 -1.626 2.633) 7.451 18.467 ( -2.314 0.334 -1.382) 2.716 18.533 ( 0.718 0.154 0.120) 0.744 18.868 ( -3.575 0.484 7.367) 8.203 18.986 ( -0.089 -1.041 -9.678) 9.734 20.821 ( -5.333 -2.900 14.422) 15.648 21.177 ( 3.320 1.932 -2.894) 4.809 21.426 ( -2.800 6.132 3.543) 7.615 21.624 ( 4.453 2.451 -9.443) 10.724 22.394 ( -3.040 3.617 9.918) 10.986 22.567 ( 0.731 2.304 -9.088) 9.404 23.597 ( -0.012 -2.156 1.216) 2.476 23.762 ( 4.595 -3.778 -0.454) 5.967 23.990 ( -3.411 0.040 -5.666) 6.613 24.090 ( -0.249 -5.225 1.902) 5.566 ======================= Grid point 238 (126/128) ======================= q-point: (-0.29 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 8.187 0.000 3.962) 9.096 1.910 ( -4.422 -0.000 15.915) 16.518 2.001 ( -6.483 -0.000 15.754) 17.036 2.047 ( 1.653 0.000 -0.804) 1.838 2.446 ( -0.357 -0.000 -0.329) 0.485 2.535 ( -1.524 -0.000 -3.559) 3.872 2.927 ( -3.303 -0.000 -3.678) 4.943 3.024 ( -3.716 -0.000 -1.406) 3.973 3.072 ( 4.391 0.000 -9.337) 10.318 3.324 ( -6.446 -0.000 -3.142) 7.171 3.377 ( -1.846 -0.000 -1.569) 2.423 3.552 ( -0.062 -0.000 15.188) 15.188 3.733 ( -0.479 -0.000 0.616) 0.780 3.765 ( 11.442 0.000 3.532) 11.975 4.077 ( 7.023 0.000 -8.846) 11.295 4.137 ( -11.916 -0.000 3.699) 12.477 4.227 ( 2.325 0.000 7.232) 7.596 4.462 ( -1.350 -0.000 -4.847) 5.031 4.594 ( -3.649 -0.000 11.312) 11.886 4.788 ( -3.451 -0.000 -8.243) 8.936 4.993 ( -5.712 -0.000 19.901) 20.704 5.178 ( 9.651 0.000 -9.269) 13.381 5.495 ( -1.373 -0.000 2.628) 2.965 5.900 ( 3.257 0.000 -11.353) 11.811 5.935 ( -5.277 -0.000 13.469) 14.466 5.978 ( -9.038 -0.000 22.041) 23.822 6.211 ( 0.277 0.000 -13.891) 13.894 6.429 ( -5.988 -0.000 -11.307) 12.795 6.509 ( -3.015 -0.000 22.832) 23.030 6.616 ( 5.791 0.000 -18.052) 18.958 6.983 ( 4.958 0.000 -3.006) 5.798 7.120 ( 0.903 0.000 -0.215) 0.929 7.304 ( -3.005 -0.000 -1.945) 3.580 7.381 ( 0.454 0.000 -12.998) 13.006 7.899 ( 2.464 0.000 16.461) 16.644 7.971 ( 4.597 0.000 -1.124) 4.733 8.084 ( 1.237 0.000 9.282) 9.364 8.334 ( 2.132 0.000 -20.547) 20.657 8.504 ( -5.752 -0.000 -1.129) 5.862 8.647 ( -0.537 -0.000 -1.124) 1.245 9.056 ( 0.851 0.000 15.621) 15.644 9.424 ( 10.670 0.000 -14.502) 18.005 9.668 ( -6.917 -0.000 14.407) 15.981 10.046 ( 1.883 0.000 -16.064) 16.174 12.404 ( 0.133 0.000 -3.088) 3.091 12.471 ( 3.133 0.000 7.824) 8.428 12.997 ( 0.330 0.000 -0.121) 0.352 13.075 ( 0.089 0.000 -4.686) 4.687 13.384 ( 4.303 0.000 1.038) 4.427 13.493 ( 4.565 0.000 4.046) 6.100 13.958 ( -1.279 -0.000 2.840) 3.115 13.961 ( -0.561 -0.000 -2.638) 2.697 15.155 ( -6.718 -0.000 7.701) 10.219 15.301 ( -2.369 -0.000 -9.250) 9.548 17.187 ( -2.581 -0.000 11.408) 11.697 17.397 ( 4.392 0.000 -9.112) 10.115 17.847 ( 3.607 0.000 -12.475) 12.986 17.925 ( 7.926 0.000 11.777) 14.196 18.469 ( -3.009 -0.000 -0.417) 3.038 18.545 ( 0.493 0.000 0.335) 0.596 18.875 ( -3.713 -0.000 7.742) 8.586 18.960 ( -1.951 -0.000 -10.723) 10.899 20.773 ( -5.495 -0.000 15.087) 16.056 21.212 ( 4.409 0.000 -8.875) 9.910 21.555 ( 0.085 0.000 -5.601) 5.602 21.679 ( 3.193 0.000 4.177) 5.257 22.478 ( -3.540 -0.000 9.404) 10.048 22.624 ( -1.263 -0.000 -9.019) 9.107 23.535 ( 0.474 0.000 -0.979) 1.088 23.683 ( 4.937 0.000 -0.376) 4.951 23.979 ( -2.779 -0.000 -6.647) 7.204 23.981 ( -2.088 -0.000 5.729) 6.097 ======================= Grid point 239 (127/128) ======================= q-point: (-0.14 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -2.277 6.195 14.468) 15.902 1.933 ( 5.916 2.010 5.081) 8.053 1.981 ( 7.889 3.726 2.190) 8.995 2.169 ( -2.147 -8.297 9.875) 13.075 2.375 ( -4.755 0.504 -1.540) 5.024 2.624 ( 0.476 -7.699 -3.821) 8.608 2.839 ( -4.134 5.458 -5.633) 8.866 2.867 ( -7.653 3.709 -8.058) 11.716 3.132 ( 2.061 9.033 -1.618) 9.405 3.213 ( 2.738 3.894 0.371) 4.775 3.324 ( -2.621 -4.043 -2.039) 5.232 3.698 ( 3.405 1.205 -3.694) 5.167 3.779 ( -2.909 -12.321 19.017) 22.846 3.897 ( 5.907 -4.104 -0.658) 7.223 3.997 ( -10.226 -1.052 3.687) 10.921 4.132 ( 4.541 1.574 0.184) 4.810 4.357 ( 0.512 -11.050 5.283) 12.258 4.497 ( -1.107 -4.940 2.320) 5.569 4.562 ( -6.158 -0.844 8.484) 10.517 4.768 ( -2.113 -5.583 -9.179) 10.949 5.020 ( 0.933 0.026 14.490) 14.520 5.239 ( 8.907 3.012 -8.156) 12.447 5.464 ( -3.090 1.039 1.451) 3.568 5.839 ( -5.799 2.680 4.649) 7.901 5.864 ( -8.574 2.761 16.673) 18.951 6.019 ( -0.631 -3.407 8.280) 8.976 6.180 ( -0.982 -1.341 -11.761) 11.878 6.355 ( 1.121 2.178 -18.811) 18.970 6.548 ( 0.298 1.490 14.099) 14.180 6.612 ( 5.276 1.587 -10.526) 11.880 6.978 ( 2.996 5.928 -1.317) 6.772 7.092 ( 1.378 4.031 -2.670) 5.027 7.237 ( -8.905 0.145 2.371) 9.216 7.324 ( 1.346 3.108 -11.767) 12.245 7.918 ( 2.110 5.307 12.003) 13.293 7.978 ( 2.653 4.092 -0.427) 4.896 8.169 ( 2.384 -4.537 6.088) 7.958 8.294 ( 2.205 0.593 -16.890) 17.043 8.459 ( -4.511 -1.432 0.971) 4.831 8.645 ( -0.894 -1.837 -2.835) 3.495 9.165 ( 1.715 -5.789 15.057) 16.223 9.476 ( 7.039 2.122 -7.981) 10.851 9.674 ( -3.222 -4.400 6.956) 8.839 10.004 ( 0.397 1.337 -15.580) 15.642 12.409 ( 1.030 -0.398 -1.069) 1.537 12.513 ( 2.330 0.791 4.573) 5.193 12.943 ( 0.935 5.209 -0.583) 5.324 13.124 ( 0.959 -3.923 -2.251) 4.623 13.390 ( 4.261 4.672 1.258) 6.447 13.557 ( 4.144 -0.198 2.489) 4.838 13.970 ( -2.034 -4.401 2.854) 5.626 14.012 ( 0.291 -6.119 -2.037) 6.455 15.076 ( -7.162 3.054 7.486) 10.801 15.233 ( -2.091 2.031 -9.396) 9.837 17.193 ( -2.869 -0.329 11.494) 11.851 17.416 ( 4.068 0.206 -9.013) 9.890 17.860 ( 4.188 0.272 -9.410) 10.303 18.023 ( 6.071 0.851 7.294) 9.529 18.436 ( -2.864 -0.195 -0.241) 2.880 18.546 ( 0.417 0.486 0.226) 0.679 18.850 ( -4.284 0.183 6.948) 8.165 18.929 ( -1.039 -1.795 -8.809) 9.049 20.779 ( -3.777 -1.596 15.554) 16.086 21.216 ( 2.419 0.838 -8.326) 8.711 21.506 ( -0.012 5.569 0.419) 5.585 21.691 ( 2.944 2.764 -2.864) 4.950 22.440 ( -3.438 2.993 8.939) 10.034 22.574 ( -0.703 1.481 -7.863) 8.032 23.567 ( 1.393 -2.643 -0.376) 3.011 23.753 ( 4.019 -2.875 -1.181) 5.080 23.937 ( -2.426 -0.475 -5.457) 5.990 24.006 ( -2.406 -4.304 4.094) 6.409 ======================= Grid point 246 (128/128) ======================= q-point: (-0.14 -0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -3.377 -0.000 17.443) 17.767 1.945 ( -3.898 -0.000 11.791) 12.419 2.084 ( 1.310 0.000 -0.672) 1.472 2.139 ( 12.333 0.000 7.234) 14.298 2.427 ( 0.062 0.000 -5.388) 5.389 2.444 ( -1.660 -0.000 -6.170) 6.390 2.807 ( -5.476 -0.000 -7.768) 9.504 2.874 ( -6.064 -0.000 -7.701) 9.802 3.169 ( 8.088 0.000 -7.033) 10.718 3.253 ( -4.072 -0.000 6.496) 7.667 3.374 ( 2.182 0.000 -1.644) 2.732 3.633 ( -2.986 -0.000 -0.106) 2.988 3.732 ( -0.722 -0.000 17.483) 17.498 3.894 ( -7.143 -0.000 4.670) 8.534 3.921 ( 2.379 0.000 -2.020) 3.121 4.232 ( 9.994 0.000 -4.139) 10.817 4.305 ( 1.428 0.000 9.683) 9.788 4.418 ( -1.710 -0.000 -0.671) 1.837 4.494 ( -10.502 -0.000 13.626) 17.203 4.695 ( 0.539 0.000 -11.263) 11.276 5.089 ( 3.296 0.000 14.857) 15.218 5.332 ( 8.060 0.000 -9.484) 12.446 5.432 ( -5.749 -0.000 5.450) 7.922 5.772 ( -8.108 -0.000 -6.978) 10.697 5.839 ( -8.657 -0.000 18.759) 20.660 5.995 ( -4.307 -0.000 21.403) 21.832 6.151 ( 3.152 0.000 -15.401) 15.720 6.359 ( 6.038 0.000 -20.536) 21.405 6.616 ( -1.237 -0.000 18.942) 18.982 6.627 ( 5.230 0.000 -17.611) 18.371 7.077 ( 4.567 0.000 -1.248) 4.734 7.109 ( -4.571 -0.000 -6.303) 7.787 7.148 ( -6.240 -0.000 8.956) 10.915 7.338 ( 2.159 0.000 -11.113) 11.321 7.996 ( -1.018 -0.000 5.372) 5.468 8.052 ( 3.098 0.000 -4.256) 5.264 8.161 ( 2.061 0.000 6.702) 7.011 8.277 ( 1.802 0.000 -11.889) 12.025 8.406 ( -3.603 -0.000 4.703) 5.924 8.605 ( -1.311 -0.000 -5.223) 5.385 9.182 ( 1.297 0.000 17.950) 17.997 9.569 ( 10.871 0.000 -16.858) 20.059 9.607 ( -5.388 -0.000 13.219) 14.275 9.969 ( -1.084 -0.000 -15.010) 15.049 12.422 ( 2.045 0.000 0.497) 2.104 12.549 ( 1.319 0.000 1.368) 1.900 13.023 ( 1.904 0.000 0.658) 2.014 13.085 ( 2.380 0.000 -1.526) 2.827 13.495 ( 5.441 0.000 0.939) 5.522 13.597 ( 3.109 0.000 3.111) 4.398 13.925 ( -3.133 -0.000 2.201) 3.829 13.939 ( -0.235 -0.000 -2.546) 2.557 15.043 ( -7.392 -0.000 7.941) 10.849 15.201 ( -1.594 -0.000 -9.583) 9.714 17.192 ( -2.858 -0.000 11.826) 12.166 17.431 ( 3.436 0.000 -9.928) 10.506 17.901 ( 7.465 0.000 -9.725) 12.260 18.079 ( -1.405 -0.000 5.572) 5.747 18.419 ( 0.518 0.000 1.369) 1.463 18.552 ( -0.176 -0.000 -0.042) 0.180 18.823 ( -4.598 -0.000 6.520) 7.978 18.882 ( -0.104 -0.000 -7.346) 7.347 20.781 ( -1.762 -0.000 16.003) 16.100 21.209 ( 0.296 0.000 -10.235) 10.239 21.576 ( 3.964 0.000 -2.677) 4.783 21.726 ( -0.527 -0.000 0.709) 0.884 22.451 ( -3.525 -0.000 7.892) 8.643 22.556 ( -0.640 -0.000 -6.401) 6.433 23.561 ( 2.282 0.000 -0.154) 2.288 23.750 ( 0.295 0.000 -2.943) 2.957 23.911 ( 1.304 0.000 -4.580) 4.762 23.952 ( -3.555 -0.000 5.189) 6.290 =================== 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 3/31752 10.0 921.433 360.336 748.315 0.000 124.288 0.000 3/31752 20.0 188.410 128.315 202.773 0.000 11.553 0.000 3/31752 30.0 78.782 59.526 92.565 0.000 3.644 0.000 3/31752 40.0 45.345 35.279 55.425 0.000 2.073 0.000 3/31752 50.0 30.734 24.279 38.610 0.000 1.357 0.000 3/31752 60.0 22.920 18.308 29.420 0.000 0.933 0.000 3/31752 70.0 18.172 14.641 23.730 0.000 0.662 0.000 3/31752 80.0 15.019 12.183 19.889 0.000 0.482 0.000 3/31752 90.0 12.788 10.427 17.127 0.000 0.359 0.000 3/31752 100.0 11.131 9.112 15.046 0.000 0.272 0.000 3/31752 110.0 9.853 8.092 13.423 0.000 0.209 0.000 3/31752 120.0 8.839 7.277 12.122 0.000 0.163 0.000 3/31752 130.0 8.016 6.613 11.056 0.000 0.127 0.000 3/31752 140.0 7.335 6.061 10.167 0.000 0.100 0.000 3/31752 150.0 6.762 5.595 9.415 0.000 0.078 0.000 3/31752 160.0 6.273 5.197 8.771 0.000 0.060 0.000 3/31752 170.0 5.852 4.854 8.213 0.000 0.046 0.000 3/31752 180.0 5.486 4.555 7.726 0.000 0.034 0.000 3/31752 190.0 5.164 4.291 7.296 0.000 0.024 0.000 3/31752 200.0 4.879 4.058 6.914 0.000 0.015 0.000 3/31752 210.0 4.625 3.850 6.573 0.000 0.008 0.000 3/31752 220.0 4.397 3.663 6.266 0.000 0.002 0.000 3/31752 230.0 4.191 3.494 5.988 0.000 -0.004 0.000 3/31752 240.0 4.004 3.341 5.734 0.000 -0.008 0.000 3/31752 250.0 3.834 3.202 5.503 0.000 -0.012 0.000 3/31752 260.0 3.678 3.074 5.291 0.000 -0.016 0.000 3/31752 270.0 3.535 2.956 5.095 0.000 -0.019 0.000 3/31752 280.0 3.403 2.848 4.914 0.000 -0.021 0.000 3/31752 290.0 3.281 2.748 4.746 0.000 -0.024 0.000 3/31752 300.0 3.168 2.654 4.590 0.000 -0.026 0.000 3/31752 310.0 3.062 2.568 4.444 0.000 -0.027 0.000 3/31752 320.0 2.964 2.486 4.307 0.000 -0.029 0.000 3/31752 330.0 2.871 2.410 4.179 0.000 -0.030 0.000 3/31752 340.0 2.785 2.339 4.059 0.000 -0.031 0.000 3/31752 350.0 2.704 2.272 3.945 0.000 -0.032 0.000 3/31752 360.0 2.627 2.209 3.838 0.000 -0.032 0.000 3/31752 370.0 2.555 2.149 3.736 0.000 -0.033 0.000 3/31752 380.0 2.487 2.093 3.640 0.000 -0.033 0.000 3/31752 390.0 2.422 2.039 3.549 0.000 -0.034 0.000 3/31752 400.0 2.361 1.989 3.463 0.000 -0.034 0.000 3/31752 410.0 2.302 1.940 3.380 0.000 -0.034 0.000 3/31752 420.0 2.247 1.894 3.302 0.000 -0.035 0.000 3/31752 430.0 2.194 1.851 3.227 0.000 -0.035 0.000 3/31752 440.0 2.144 1.809 3.156 0.000 -0.035 0.000 3/31752 450.0 2.096 1.769 3.087 0.000 -0.035 0.000 3/31752 460.0 2.050 1.731 3.022 0.000 -0.035 0.000 3/31752 470.0 2.006 1.695 2.959 0.000 -0.035 0.000 3/31752 480.0 1.964 1.660 2.899 0.000 -0.035 0.000 3/31752 490.0 1.924 1.626 2.841 0.000 -0.034 0.000 3/31752 500.0 1.886 1.594 2.786 0.000 -0.034 0.000 3/31752 510.0 1.849 1.563 2.732 0.000 -0.034 0.000 3/31752 520.0 1.813 1.533 2.681 0.000 -0.034 0.000 3/31752 530.0 1.779 1.505 2.632 0.000 -0.034 0.000 3/31752 540.0 1.746 1.477 2.584 0.000 -0.034 0.000 3/31752 550.0 1.714 1.451 2.538 0.000 -0.033 0.000 3/31752 560.0 1.683 1.425 2.494 0.000 -0.033 0.000 3/31752 570.0 1.654 1.400 2.451 0.000 -0.033 0.000 3/31752 580.0 1.625 1.376 2.410 0.000 -0.033 0.000 3/31752 590.0 1.598 1.353 2.370 0.000 -0.033 0.000 3/31752 600.0 1.571 1.331 2.331 0.000 -0.032 0.000 3/31752 610.0 1.545 1.310 2.294 0.000 -0.032 0.000 3/31752 620.0 1.520 1.289 2.257 0.000 -0.032 0.000 3/31752 630.0 1.496 1.268 2.222 0.000 -0.031 0.000 3/31752 640.0 1.473 1.249 2.188 0.000 -0.031 0.000 3/31752 650.0 1.450 1.230 2.155 0.000 -0.031 0.000 3/31752 660.0 1.428 1.211 2.123 0.000 -0.031 0.000 3/31752 670.0 1.407 1.194 2.092 0.000 -0.030 0.000 3/31752 680.0 1.386 1.176 2.062 0.000 -0.030 0.000 3/31752 690.0 1.366 1.159 2.032 0.000 -0.030 0.000 3/31752 700.0 1.347 1.143 2.004 0.000 -0.030 0.000 3/31752 710.0 1.328 1.127 1.976 0.000 -0.029 0.000 3/31752 720.0 1.309 1.111 1.949 0.000 -0.029 0.000 3/31752 730.0 1.292 1.096 1.923 0.000 -0.029 0.000 3/31752 740.0 1.274 1.082 1.897 0.000 -0.029 0.000 3/31752 750.0 1.257 1.067 1.873 0.000 -0.028 0.000 3/31752 760.0 1.241 1.054 1.848 0.000 -0.028 0.000 3/31752 770.0 1.225 1.040 1.825 0.000 -0.028 0.000 3/31752 780.0 1.209 1.027 1.802 0.000 -0.028 0.000 3/31752 790.0 1.194 1.014 1.779 0.000 -0.027 0.000 3/31752 800.0 1.179 1.001 1.757 0.000 -0.027 0.000 3/31752 810.0 1.164 0.989 1.736 0.000 -0.027 0.000 3/31752 820.0 1.150 0.977 1.715 0.000 -0.027 0.000 3/31752 830.0 1.136 0.966 1.695 0.000 -0.026 0.000 3/31752 840.0 1.123 0.954 1.675 0.000 -0.026 0.000 3/31752 850.0 1.110 0.943 1.655 0.000 -0.026 0.000 3/31752 860.0 1.097 0.932 1.636 0.000 -0.026 0.000 3/31752 870.0 1.084 0.922 1.618 0.000 -0.026 0.000 3/31752 880.0 1.072 0.911 1.600 0.000 -0.025 0.000 3/31752 890.0 1.060 0.901 1.582 0.000 -0.025 0.000 3/31752 900.0 1.048 0.891 1.565 0.000 -0.025 0.000 3/31752 910.0 1.037 0.881 1.548 0.000 -0.025 0.000 3/31752 920.0 1.025 0.872 1.531 0.000 -0.025 0.000 3/31752 930.0 1.014 0.863 1.515 0.000 -0.024 0.000 3/31752 940.0 1.004 0.853 1.499 0.000 -0.024 0.000 3/31752 950.0 0.993 0.845 1.483 0.000 -0.024 0.000 3/31752 960.0 0.983 0.836 1.468 0.000 -0.024 0.000 3/31752 970.0 0.973 0.827 1.453 0.000 -0.024 0.000 3/31752 980.0 0.963 0.819 1.438 0.000 -0.023 0.000 3/31752 990.0 0.953 0.811 1.424 0.000 -0.023 0.000 3/31752 1000.0 0.943 0.803 1.410 0.000 -0.023 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:53:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|