----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:11:49]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -1.122778502311173 0.000000000000000 5.257714257193236 Atomic positions (fractional): *1 Li 0.77895161843931 0.35488985254641 0.52131247109697 6.941 *2 Li 0.71908267729060 0.85141809890299 0.49003339098927 6.941 3 Li 0.77895161843931 0.14511014745359 0.02131247109697 6.941 4 Li 0.71908267729060 0.64858190109701 0.99003339098927 6.941 5 Li 0.28091732270940 0.35141809890299 0.00996660901073 6.941 6 Li 0.22104838156069 0.85488985254641 0.97868752890303 6.941 7 Li 0.28091732270940 0.14858190109701 0.50996660901073 6.941 8 Li 0.22104838156069 0.64511014745359 0.47868752890303 6.941 *9 Bi 0.88080926526472 0.60555997008100 0.50181717366863 208.980 10 Bi 0.88080926526472 0.89444002991900 0.00181717366863 208.980 *11 Bi 0.61715613272890 0.10969772962787 0.41408349897796 208.980 12 Bi 0.61715613272890 0.39030227037213 0.91408349897796 208.980 13 Bi 0.38284386727110 0.60969772962787 0.08591650102204 208.980 14 Bi 0.38284386727110 0.89030227037213 0.58591650102204 208.980 15 Bi 0.11919073473528 0.10555997008100 0.99818282633137 208.980 16 Bi 0.11919073473528 0.39444002991900 0.49818282633137 208.980 *17 B 0.99939865152730 0.37027854446373 0.87424561755596 10.811 18 B 0.99939865152730 0.12972145553627 0.37424561755596 10.811 *19 B 0.84149002282255 0.11501923810933 0.56019544429922 10.811 20 B 0.84149002282255 0.38498076189067 0.06019544429922 10.811 *21 B 0.65954600683241 0.61624786121397 0.49272907668967 10.811 22 B 0.65954600683241 0.88375213878603 0.99272907668967 10.811 *23 B 0.49789828536693 0.36823468738074 0.31031936625603 10.811 24 B 0.50210171463307 0.86823468738074 0.18968063374397 10.811 25 B 0.49789828536693 0.13176531261926 0.81031936625603 10.811 26 B 0.50210171463307 0.63176531261926 0.68968063374397 10.811 27 B 0.34045399316759 0.11624786121397 0.00727092331033 10.811 28 B 0.34045399316759 0.38375213878603 0.50727092331033 10.811 29 B 0.15850997717745 0.61501923810933 0.93980455570078 10.811 30 B 0.15850997717745 0.88498076189067 0.43980455570078 10.811 31 B 0.00060134847270 0.87027854446373 0.62575438244404 10.811 32 B 0.00060134847270 0.62972145553627 0.12575438244404 10.811 *33 O 0.94686479474865 0.40279446326788 0.63622203167343 15.999 *34 O 0.95368405031829 0.11376094403595 0.58799315623405 15.999 *35 O 0.89721681298027 0.82567017455447 0.58928499526894 15.999 36 O 0.94686479474865 0.09720553673212 0.13622203167343 15.999 37 O 0.95368405031829 0.38623905596405 0.08799315623405 15.999 38 O 0.89721681298027 0.67432982544553 0.08928499526894 15.999 *39 O 0.78976818940414 0.04168858717300 0.70323594751638 15.999 *40 O 0.71600932912630 0.53679438693353 0.66411926000554 15.999 *41 O 0.78216623975279 0.19015243003994 0.38604713625335 15.999 42 O 0.78976818940414 0.45831141282700 0.20323594751638 15.999 *43 O 0.71066739536228 0.68587214927413 0.34592648173381 15.999 44 O 0.71600932912630 0.96320561306647 0.16411926000554 15.999 45 O 0.78216623975279 0.30984756996006 0.88604713625335 15.999 46 O 0.71066739536228 0.81412785072587 0.84592648173381 15.999 *47 O 0.60264342091676 0.32859525487192 0.34164288847952 15.999 *48 O 0.54664892770866 0.63012419679576 0.47127642660490 15.999 *49 O 0.55658297234688 0.90546087185359 0.42104533797187 15.999 50 O 0.60264342091676 0.17140474512808 0.84164288847952 15.999 51 O 0.54664892770866 0.86987580320424 0.97127642660490 15.999 52 O 0.55658297234688 0.59453912814641 0.92104533797187 15.999 53 O 0.44341702765312 0.40546087185359 0.07895466202813 15.999 54 O 0.45335107229134 0.13012419679576 0.02872357339510 15.999 55 O 0.39735657908324 0.82859525487192 0.15835711152048 15.999 56 O 0.44341702765312 0.09453912814641 0.57895466202813 15.999 57 O 0.45335107229134 0.36987580320424 0.52872357339510 15.999 58 O 0.39735657908324 0.67140474512808 0.65835711152048 15.999 59 O 0.28933260463772 0.18587214927414 0.15407351826620 15.999 60 O 0.21783376024721 0.69015243003994 0.11395286374665 15.999 61 O 0.28399067087370 0.03679438693353 0.83588073999446 15.999 62 O 0.28933260463772 0.31412785072587 0.65407351826619 15.999 63 O 0.21023181059585 0.54168858717300 0.79676405248362 15.999 64 O 0.21783376024721 0.80984756996006 0.61395286374665 15.999 65 O 0.28399067087370 0.46320561306647 0.33588073999446 15.999 66 O 0.21023181059585 0.95831141282700 0.29676405248362 15.999 67 O 0.10278318701973 0.32567017455447 0.91071500473106 15.999 68 O 0.04631594968171 0.61376094403595 0.91200684376595 15.999 69 O 0.05313520525135 0.90279446326788 0.86377796832657 15.999 70 O 0.10278318701973 0.17432982544553 0.41071500473106 15.999 71 O 0.04631594968171 0.88623905596405 0.41200684376595 15.999 72 O 0.05313520525135 0.59720553673212 0.36377796832657 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -1.122778502311173 0.000000000000000 5.257714257193236 Atomic positions (fractional): *1 Li 0.77895161843931 0.35488985254641 0.52131247109697 6.941 > 1 *2 Li 0.71908267729060 0.85141809890299 0.49003339098927 6.941 > 2 3 Li 0.77895161843931 0.14511014745359 0.02131247109697 6.941 > 3 4 Li 0.71908267729060 0.64858190109701 0.99003339098927 6.941 > 4 5 Li 0.28091732270940 0.35141809890299 0.00996660901073 6.941 > 5 6 Li 0.22104838156069 0.85488985254641 0.97868752890303 6.941 > 6 7 Li 0.28091732270940 0.14858190109701 0.50996660901073 6.941 > 7 8 Li 0.22104838156069 0.64511014745359 0.47868752890303 6.941 > 8 *9 Bi 0.88080926526472 0.60555997008100 0.50181717366863 208.980 > 9 10 Bi 0.88080926526472 0.89444002991900 0.00181717366863 208.980 > 10 *11 Bi 0.61715613272890 0.10969772962787 0.41408349897796 208.980 > 11 12 Bi 0.61715613272890 0.39030227037213 0.91408349897796 208.980 > 12 13 Bi 0.38284386727110 0.60969772962787 0.08591650102204 208.980 > 13 14 Bi 0.38284386727110 0.89030227037213 0.58591650102204 208.980 > 14 15 Bi 0.11919073473528 0.10555997008100 0.99818282633137 208.980 > 15 16 Bi 0.11919073473528 0.39444002991900 0.49818282633137 208.980 > 16 *17 B 0.99939865152730 0.37027854446373 0.87424561755596 10.811 > 17 18 B 0.99939865152730 0.12972145553627 0.37424561755596 10.811 > 18 *19 B 0.84149002282255 0.11501923810933 0.56019544429922 10.811 > 19 20 B 0.84149002282255 0.38498076189067 0.06019544429922 10.811 > 20 *21 B 0.65954600683241 0.61624786121397 0.49272907668967 10.811 > 21 22 B 0.65954600683241 0.88375213878603 0.99272907668967 10.811 > 22 *23 B 0.49789828536693 0.36823468738074 0.31031936625603 10.811 > 23 24 B 0.50210171463307 0.86823468738074 0.18968063374397 10.811 > 24 25 B 0.49789828536693 0.13176531261926 0.81031936625603 10.811 > 25 26 B 0.50210171463307 0.63176531261926 0.68968063374397 10.811 > 26 27 B 0.34045399316759 0.11624786121397 0.00727092331033 10.811 > 27 28 B 0.34045399316759 0.38375213878603 0.50727092331033 10.811 > 28 29 B 0.15850997717745 0.61501923810933 0.93980455570078 10.811 > 29 30 B 0.15850997717745 0.88498076189067 0.43980455570078 10.811 > 30 31 B 0.00060134847270 0.87027854446373 0.62575438244404 10.811 > 31 32 B 0.00060134847270 0.62972145553627 0.12575438244404 10.811 > 32 *33 O 0.94686479474865 0.40279446326788 0.63622203167343 15.999 > 33 *34 O 0.95368405031829 0.11376094403595 0.58799315623405 15.999 > 34 *35 O 0.89721681298027 0.82567017455447 0.58928499526894 15.999 > 35 36 O 0.94686479474865 0.09720553673212 0.13622203167343 15.999 > 36 37 O 0.95368405031829 0.38623905596405 0.08799315623405 15.999 > 37 38 O 0.89721681298027 0.67432982544553 0.08928499526894 15.999 > 38 *39 O 0.78976818940414 0.04168858717300 0.70323594751638 15.999 > 39 *40 O 0.71600932912630 0.53679438693353 0.66411926000554 15.999 > 40 *41 O 0.78216623975279 0.19015243003994 0.38604713625335 15.999 > 41 42 O 0.78976818940414 0.45831141282700 0.20323594751638 15.999 > 42 *43 O 0.71066739536228 0.68587214927413 0.34592648173381 15.999 > 43 44 O 0.71600932912630 0.96320561306647 0.16411926000554 15.999 > 44 45 O 0.78216623975279 0.30984756996006 0.88604713625335 15.999 > 45 46 O 0.71066739536228 0.81412785072587 0.84592648173381 15.999 > 46 *47 O 0.60264342091676 0.32859525487192 0.34164288847952 15.999 > 47 *48 O 0.54664892770866 0.63012419679576 0.47127642660490 15.999 > 48 *49 O 0.55658297234688 0.90546087185359 0.42104533797187 15.999 > 49 50 O 0.60264342091676 0.17140474512808 0.84164288847952 15.999 > 50 51 O 0.54664892770866 0.86987580320424 0.97127642660490 15.999 > 51 52 O 0.55658297234688 0.59453912814641 0.92104533797187 15.999 > 52 53 O 0.44341702765312 0.40546087185359 0.07895466202813 15.999 > 53 54 O 0.45335107229134 0.13012419679576 0.02872357339510 15.999 > 54 55 O 0.39735657908324 0.82859525487192 0.15835711152048 15.999 > 55 56 O 0.44341702765312 0.09453912814641 0.57895466202813 15.999 > 56 57 O 0.45335107229134 0.36987580320424 0.52872357339510 15.999 > 57 58 O 0.39735657908324 0.67140474512808 0.65835711152048 15.999 > 58 59 O 0.28933260463772 0.18587214927414 0.15407351826620 15.999 > 59 60 O 0.21783376024721 0.69015243003994 0.11395286374665 15.999 > 60 61 O 0.28399067087370 0.03679438693353 0.83588073999446 15.999 > 61 62 O 0.28933260463772 0.31412785072587 0.65407351826619 15.999 > 62 63 O 0.21023181059585 0.54168858717300 0.79676405248362 15.999 > 63 64 O 0.21783376024721 0.80984756996006 0.61395286374665 15.999 > 64 65 O 0.28399067087370 0.46320561306647 0.33588073999446 15.999 > 65 66 O 0.21023181059585 0.95831141282700 0.29676405248362 15.999 > 66 67 O 0.10278318701973 0.32567017455447 0.91071500473106 15.999 > 67 68 O 0.04631594968171 0.61376094403595 0.91200684376595 15.999 > 68 69 O 0.05313520525135 0.90279446326788 0.86377796832657 15.999 > 69 70 O 0.10278318701973 0.17432982544553 0.41071500473106 15.999 > 70 71 O 0.04631594968171 0.88623905596405 0.41200684376595 15.999 > 71 72 O 0.05313520525135 0.59720553673212 0.36377796832657 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -2.245557004622346 0.000000000000000 10.515428514386471 Atomic positions (fractional): *1 Li 0.77895161843931 0.35488985254641 0.26065623554849 6.941 > 1 2 Li 0.77895161843931 0.35488985254641 0.76065623554849 6.941 > 1 *3 Li 0.71908267729060 0.85141809890299 0.24501669549463 6.941 > 2 4 Li 0.71908267729060 0.85141809890299 0.74501669549463 6.941 > 2 5 Li 0.77895161843931 0.14511014745359 0.01065623554849 6.941 > 3 6 Li 0.77895161843931 0.14511014745359 0.51065623554849 6.941 > 3 7 Li 0.71908267729060 0.64858190109701 0.49501669549463 6.941 > 4 8 Li 0.71908267729060 0.64858190109701 0.99501669549463 6.941 > 4 9 Li 0.28091732270940 0.35141809890299 0.00498330450537 6.941 > 5 10 Li 0.28091732270940 0.35141809890299 0.50498330450537 6.941 > 5 11 Li 0.22104838156069 0.85488985254641 0.48934376445151 6.941 > 6 12 Li 0.22104838156069 0.85488985254641 0.98934376445151 6.941 > 6 13 Li 0.28091732270940 0.14858190109701 0.25498330450537 6.941 > 7 14 Li 0.28091732270940 0.14858190109701 0.75498330450537 6.941 > 7 15 Li 0.22104838156069 0.64511014745359 0.23934376445151 6.941 > 8 16 Li 0.22104838156069 0.64511014745359 0.73934376445151 6.941 > 8 *17 Bi 0.88080926526472 0.60555997008100 0.25090858683432 208.980 > 9 18 Bi 0.88080926526472 0.60555997008100 0.75090858683432 208.980 > 9 19 Bi 0.88080926526472 0.89444002991900 0.00090858683432 208.980 > 10 20 Bi 0.88080926526472 0.89444002991900 0.50090858683432 208.980 > 10 *21 Bi 0.61715613272890 0.10969772962787 0.20704174948898 208.980 > 11 22 Bi 0.61715613272890 0.10969772962787 0.70704174948898 208.980 > 11 23 Bi 0.61715613272890 0.39030227037213 0.45704174948898 208.980 > 12 24 Bi 0.61715613272890 0.39030227037213 0.95704174948898 208.980 > 12 25 Bi 0.38284386727110 0.60969772962787 0.04295825051102 208.980 > 13 26 Bi 0.38284386727110 0.60969772962787 0.54295825051102 208.980 > 13 27 Bi 0.38284386727110 0.89030227037213 0.29295825051102 208.980 > 14 28 Bi 0.38284386727110 0.89030227037213 0.79295825051102 208.980 > 14 29 Bi 0.11919073473528 0.10555997008100 0.49909141316568 208.980 > 15 30 Bi 0.11919073473528 0.10555997008100 0.99909141316568 208.980 > 15 31 Bi 0.11919073473528 0.39444002991900 0.24909141316568 208.980 > 16 32 Bi 0.11919073473528 0.39444002991900 0.74909141316568 208.980 > 16 *33 B 0.99939865152730 0.37027854446373 0.43712280877798 10.811 > 17 34 B 0.99939865152730 0.37027854446373 0.93712280877798 10.811 > 17 35 B 0.99939865152730 0.12972145553627 0.18712280877798 10.811 > 18 36 B 0.99939865152730 0.12972145553627 0.68712280877798 10.811 > 18 *37 B 0.84149002282255 0.11501923810933 0.28009772214961 10.811 > 19 38 B 0.84149002282255 0.11501923810933 0.78009772214961 10.811 > 19 39 B 0.84149002282255 0.38498076189067 0.03009772214961 10.811 > 20 40 B 0.84149002282255 0.38498076189067 0.53009772214961 10.811 > 20 *41 B 0.65954600683241 0.61624786121397 0.24636453834484 10.811 > 21 42 B 0.65954600683241 0.61624786121397 0.74636453834484 10.811 > 21 43 B 0.65954600683241 0.88375213878603 0.49636453834484 10.811 > 22 44 B 0.65954600683241 0.88375213878603 0.99636453834484 10.811 > 22 *45 B 0.49789828536693 0.36823468738074 0.15515968312802 10.811 > 23 46 B 0.49789828536693 0.36823468738074 0.65515968312802 10.811 > 23 47 B 0.50210171463307 0.86823468738074 0.09484031687198 10.811 > 24 48 B 0.50210171463307 0.86823468738074 0.59484031687198 10.811 > 24 49 B 0.49789828536693 0.13176531261926 0.40515968312802 10.811 > 25 50 B 0.49789828536693 0.13176531261926 0.90515968312802 10.811 > 25 51 B 0.50210171463307 0.63176531261926 0.34484031687198 10.811 > 26 52 B 0.50210171463307 0.63176531261926 0.84484031687198 10.811 > 26 53 B 0.34045399316759 0.11624786121397 0.00363546165516 10.811 > 27 54 B 0.34045399316759 0.11624786121397 0.50363546165516 10.811 > 27 55 B 0.34045399316759 0.38375213878603 0.25363546165516 10.811 > 28 56 B 0.34045399316759 0.38375213878603 0.75363546165516 10.811 > 28 57 B 0.15850997717745 0.61501923810933 0.46990227785039 10.811 > 29 58 B 0.15850997717745 0.61501923810933 0.96990227785039 10.811 > 29 59 B 0.15850997717745 0.88498076189067 0.21990227785039 10.811 > 30 60 B 0.15850997717745 0.88498076189067 0.71990227785039 10.811 > 30 61 B 0.00060134847270 0.87027854446373 0.31287719122202 10.811 > 31 62 B 0.00060134847270 0.87027854446373 0.81287719122202 10.811 > 31 63 B 0.00060134847270 0.62972145553627 0.06287719122202 10.811 > 32 64 B 0.00060134847270 0.62972145553627 0.56287719122202 10.811 > 32 *65 O 0.94686479474865 0.40279446326788 0.31811101583671 15.999 > 33 66 O 0.94686479474865 0.40279446326788 0.81811101583671 15.999 > 33 *67 O 0.95368405031829 0.11376094403595 0.29399657811702 15.999 > 34 68 O 0.95368405031829 0.11376094403595 0.79399657811702 15.999 > 34 *69 O 0.89721681298027 0.82567017455447 0.29464249763447 15.999 > 35 70 O 0.89721681298027 0.82567017455447 0.79464249763447 15.999 > 35 71 O 0.94686479474865 0.09720553673212 0.06811101583671 15.999 > 36 72 O 0.94686479474865 0.09720553673212 0.56811101583671 15.999 > 36 73 O 0.95368405031829 0.38623905596405 0.04399657811702 15.999 > 37 74 O 0.95368405031829 0.38623905596405 0.54399657811702 15.999 > 37 75 O 0.89721681298027 0.67432982544553 0.04464249763447 15.999 > 38 76 O 0.89721681298027 0.67432982544553 0.54464249763447 15.999 > 38 *77 O 0.78976818940414 0.04168858717300 0.35161797375819 15.999 > 39 78 O 0.78976818940414 0.04168858717300 0.85161797375819 15.999 > 39 *79 O 0.71600932912630 0.53679438693353 0.33205963000277 15.999 > 40 80 O 0.71600932912630 0.53679438693353 0.83205963000277 15.999 > 40 *81 O 0.78216623975279 0.19015243003994 0.19302356812668 15.999 > 41 82 O 0.78216623975279 0.19015243003994 0.69302356812668 15.999 > 41 83 O 0.78976818940414 0.45831141282700 0.10161797375819 15.999 > 42 84 O 0.78976818940414 0.45831141282700 0.60161797375819 15.999 > 42 *85 O 0.71066739536228 0.68587214927413 0.17296324086690 15.999 > 43 86 O 0.71066739536228 0.68587214927413 0.67296324086690 15.999 > 43 87 O 0.71600932912630 0.96320561306647 0.08205963000277 15.999 > 44 88 O 0.71600932912630 0.96320561306647 0.58205963000277 15.999 > 44 89 O 0.78216623975279 0.30984756996006 0.44302356812668 15.999 > 45 90 O 0.78216623975279 0.30984756996006 0.94302356812668 15.999 > 45 91 O 0.71066739536228 0.81412785072587 0.42296324086690 15.999 > 46 92 O 0.71066739536228 0.81412785072587 0.92296324086690 15.999 > 46 *93 O 0.60264342091676 0.32859525487192 0.17082144423976 15.999 > 47 94 O 0.60264342091676 0.32859525487192 0.67082144423976 15.999 > 47 *95 O 0.54664892770866 0.63012419679576 0.23563821330245 15.999 > 48 96 O 0.54664892770866 0.63012419679576 0.73563821330245 15.999 > 48 *97 O 0.55658297234688 0.90546087185359 0.21052266898594 15.999 > 49 98 O 0.55658297234688 0.90546087185359 0.71052266898594 15.999 > 49 99 O 0.60264342091676 0.17140474512808 0.42082144423976 15.999 > 50 100 O 0.60264342091676 0.17140474512808 0.92082144423976 15.999 > 50 101 O 0.54664892770866 0.86987580320424 0.48563821330245 15.999 > 51 102 O 0.54664892770866 0.86987580320424 0.98563821330245 15.999 > 51 103 O 0.55658297234688 0.59453912814641 0.46052266898594 15.999 > 52 104 O 0.55658297234688 0.59453912814641 0.96052266898594 15.999 > 52 105 O 0.44341702765312 0.40546087185359 0.03947733101406 15.999 > 53 106 O 0.44341702765312 0.40546087185359 0.53947733101406 15.999 > 53 107 O 0.45335107229134 0.13012419679576 0.01436178669755 15.999 > 54 108 O 0.45335107229134 0.13012419679576 0.51436178669755 15.999 > 54 109 O 0.39735657908324 0.82859525487192 0.07917855576024 15.999 > 55 110 O 0.39735657908324 0.82859525487192 0.57917855576024 15.999 > 55 111 O 0.44341702765312 0.09453912814641 0.28947733101406 15.999 > 56 112 O 0.44341702765312 0.09453912814641 0.78947733101406 15.999 > 56 113 O 0.45335107229134 0.36987580320424 0.26436178669755 15.999 > 57 114 O 0.45335107229134 0.36987580320424 0.76436178669755 15.999 > 57 115 O 0.39735657908324 0.67140474512808 0.32917855576024 15.999 > 58 116 O 0.39735657908324 0.67140474512808 0.82917855576024 15.999 > 58 117 O 0.28933260463772 0.18587214927414 0.07703675913310 15.999 > 59 118 O 0.28933260463772 0.18587214927414 0.57703675913310 15.999 > 59 119 O 0.21783376024721 0.69015243003994 0.05697643187332 15.999 > 60 120 O 0.21783376024721 0.69015243003994 0.55697643187332 15.999 > 60 121 O 0.28399067087370 0.03679438693353 0.41794036999723 15.999 > 61 122 O 0.28399067087370 0.03679438693353 0.91794036999723 15.999 > 61 123 O 0.28933260463772 0.31412785072587 0.32703675913310 15.999 > 62 124 O 0.28933260463772 0.31412785072587 0.82703675913310 15.999 > 62 125 O 0.21023181059585 0.54168858717300 0.39838202624181 15.999 > 63 126 O 0.21023181059585 0.54168858717300 0.89838202624181 15.999 > 63 127 O 0.21783376024721 0.80984756996006 0.30697643187332 15.999 > 64 128 O 0.21783376024721 0.80984756996006 0.80697643187332 15.999 > 64 129 O 0.28399067087370 0.46320561306647 0.16794036999723 15.999 > 65 130 O 0.28399067087370 0.46320561306647 0.66794036999723 15.999 > 65 131 O 0.21023181059585 0.95831141282700 0.14838202624181 15.999 > 66 132 O 0.21023181059585 0.95831141282700 0.64838202624181 15.999 > 66 133 O 0.10278318701973 0.32567017455447 0.45535750236553 15.999 > 67 134 O 0.10278318701973 0.32567017455447 0.95535750236553 15.999 > 67 135 O 0.04631594968171 0.61376094403595 0.45600342188298 15.999 > 68 136 O 0.04631594968171 0.61376094403595 0.95600342188298 15.999 > 68 137 O 0.05313520525135 0.90279446326788 0.43188898416329 15.999 > 69 138 O 0.05313520525135 0.90279446326788 0.93188898416329 15.999 > 69 139 O 0.10278318701973 0.17432982544553 0.20535750236553 15.999 > 70 140 O 0.10278318701973 0.17432982544553 0.70535750236553 15.999 > 70 141 O 0.04631594968171 0.88623905596405 0.20600342188298 15.999 > 71 142 O 0.04631594968171 0.88623905596405 0.70600342188298 15.999 > 71 143 O 0.05313520525135 0.59720553673212 0.18188898416329 15.999 > 72 144 O 0.05313520525135 0.59720553673212 0.68188898416329 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6404486 0.0000000 -0.1360006 0.0000000 4.0742047 0.0000000 -0.1360006 0.0000000 4.2611596 -------------------------- Born effective charges -------------------------- 1 Li 1.1397514 0.1307413 0.0314540 0.0134295 1.1668993 0.1351846 0.0558072 -0.0845156 1.1396824 2 Li 1.1204936 -0.0852314 0.0661286 -0.0715015 1.1332650 0.0693938 0.0687471 -0.1660149 1.1396428 3 Li 1.1397514 -0.1307413 0.0314540 -0.0134295 1.1668993 -0.1351846 0.0558072 0.0845156 1.1396824 4 Li 1.1204936 0.0852314 0.0661286 0.0715015 1.1332650 -0.0693938 0.0687471 0.1660149 1.1396428 5 Li 1.1204936 0.0852314 0.0661286 0.0715015 1.1332650 -0.0693938 0.0687471 0.1660149 1.1396428 6 Li 1.1397514 -0.1307413 0.0314540 -0.0134295 1.1668993 -0.1351846 0.0558072 0.0845156 1.1396824 7 Li 1.1204936 -0.0852314 0.0661286 -0.0715015 1.1332650 0.0693938 0.0687471 -0.1660149 1.1396428 8 Li 1.1397514 0.1307413 0.0314540 0.0134295 1.1668993 0.1351846 0.0558072 -0.0845156 1.1396824 9 Bi 5.3041569 -0.0958362 0.2243362 0.0800621 4.7805241 -0.2176016 -0.0984731 0.3653198 4.3068719 10 Bi 5.3041569 0.0958362 0.2243362 -0.0800621 4.7805241 0.2176016 -0.0984731 -0.3653198 4.3068719 11 Bi 5.3488396 0.1920610 -0.2154272 -0.0362147 4.8725409 0.3280106 0.0017430 -0.0072688 4.3569316 12 Bi 5.3488396 -0.1920610 -0.2154272 0.0362147 4.8725409 -0.3280106 0.0017430 0.0072688 4.3569316 13 Bi 5.3488396 -0.1920610 -0.2154272 0.0362147 4.8725409 -0.3280106 0.0017430 0.0072688 4.3569316 14 Bi 5.3488396 0.1920610 -0.2154272 -0.0362147 4.8725409 0.3280106 0.0017430 -0.0072688 4.3569316 15 Bi 5.3041569 0.0958362 0.2243362 -0.0800621 4.7805241 0.2176016 -0.0984731 -0.3653198 4.3068719 16 Bi 5.3041569 -0.0958362 0.2243362 0.0800621 4.7805241 -0.2176016 -0.0984731 0.3653198 4.3068719 17 B 2.4623313 -0.5312013 -0.5899645 -1.1651258 1.0986952 -0.6173671 -0.3107582 -0.0325590 2.7976749 18 B 2.4623313 0.5312013 -0.5899645 1.1651258 1.0986952 0.6173671 -0.3107582 0.0325590 2.7976749 19 B 3.2369073 -0.2411605 0.2285708 0.3665506 1.5854769 -0.5620595 -0.2777131 -0.6660146 1.5346495 20 B 3.2369073 0.2411605 0.2285708 -0.3665506 1.5854769 0.5620595 -0.2777131 0.6660146 1.5346495 21 B 3.1919383 0.1791522 -0.3336849 -0.2094712 1.6492642 -0.6703656 0.1740210 -0.5904812 1.4689089 22 B 3.1919383 -0.1791522 -0.3336849 0.2094712 1.6492642 0.6703656 0.1740210 0.5904812 1.4689089 23 B 2.4192178 -0.4337326 -0.3124512 -1.1229643 1.0641638 -0.8375381 -0.4864220 -0.1578158 2.5308068 24 B 2.4192178 0.4337326 -0.3124512 1.1229643 1.0641638 0.8375381 -0.4864220 0.1578158 2.5308068 25 B 2.4192178 0.4337326 -0.3124512 1.1229643 1.0641638 0.8375381 -0.4864220 0.1578158 2.5308068 26 B 2.4192178 -0.4337326 -0.3124512 -1.1229643 1.0641638 -0.8375381 -0.4864220 -0.1578158 2.5308068 27 B 3.1919383 -0.1791522 -0.3336849 0.2094712 1.6492642 0.6703656 0.1740210 0.5904812 1.4689089 28 B 3.1919383 0.1791522 -0.3336849 -0.2094712 1.6492642 -0.6703656 0.1740210 -0.5904812 1.4689089 29 B 3.2369073 0.2411605 0.2285708 -0.3665506 1.5854769 0.5620595 -0.2777131 0.6660146 1.5346495 30 B 3.2369073 -0.2411605 0.2285708 0.3665506 1.5854769 -0.5620595 -0.2777131 -0.6660146 1.5346495 31 B 2.4623313 0.5312013 -0.5899645 1.1651258 1.0986952 0.6173671 -0.3107582 0.0325590 2.7976749 32 B 2.4623313 -0.5312013 -0.5899645 -1.1651258 1.0986952 -0.6173671 -0.3107582 -0.0325590 2.7976749 33 O -2.3621192 0.4910045 0.0565314 0.6346436 -1.7595278 0.8025747 -0.1089633 0.5713535 -2.1649673 34 O -3.0232387 -0.2079880 0.3064495 -0.2244360 -0.8396616 0.0962821 0.2534004 0.2443595 -1.8799838 35 O -1.9905201 -0.3545211 0.2071755 -0.7009950 -2.4112030 -0.7949800 0.1751889 -0.6150125 -2.2096949 36 O -2.3621192 -0.4910045 0.0565314 -0.6346436 -1.7595278 -0.8025747 -0.1089633 -0.5713535 -2.1649673 37 O -3.0232387 0.2079880 0.3064495 0.2244360 -0.8396616 -0.0962821 0.2534004 -0.2443595 -1.8799838 38 O -1.9905201 0.3545211 0.2071755 0.7009950 -2.4112030 0.7949800 0.1751889 0.6150125 -2.2096949 39 O -2.0325476 0.1832975 -0.3266929 0.2540262 -1.9209385 0.9879502 -0.3696953 0.9532237 -2.1468095 40 O -2.5344176 -0.3594414 0.3287933 -0.2877405 -1.8328397 0.7138529 0.5187415 0.8467150 -1.7120974 41 O -2.5492268 0.0772909 -0.3984528 -0.3020365 -1.7074946 0.4446098 -0.1293988 0.5624070 -1.5183038 42 O -2.0325476 -0.1832975 -0.3266929 -0.2540262 -1.9209385 -0.9879502 -0.3696953 -0.9532237 -2.1468095 43 O -2.5087494 -0.1545558 0.2087227 0.1627588 -1.6648298 0.5406478 0.0641278 0.4441070 -1.5279743 44 O -2.5344176 0.3594414 0.3287933 0.2877405 -1.8328397 -0.7138529 0.5187415 -0.8467150 -1.7120974 45 O -2.5492268 -0.0772909 -0.3984528 0.3020365 -1.7074946 -0.4446098 -0.1293988 -0.5624070 -1.5183038 46 O -2.5087494 0.1545558 0.2087227 -0.1627588 -1.6648298 -0.5406478 0.0641278 -0.4441070 -1.5279743 47 O -1.9930631 0.3461078 0.1895311 0.6256764 -2.3810234 0.7891824 0.3224957 0.4774024 -2.2729401 48 O -3.0236707 0.0938567 0.2185259 0.2241946 -0.8308339 0.0492560 0.0587871 -0.1401151 -1.9971417 49 O -2.2060830 -0.7085202 0.1104546 -0.7470297 -2.0024769 -0.8103360 0.0883640 -0.2046198 -1.8452559 50 O -1.9930631 -0.3461078 0.1895311 -0.6256764 -2.3810234 -0.7891824 0.3224957 -0.4774024 -2.2729401 51 O -3.0236707 -0.0938567 0.2185259 -0.2241946 -0.8308339 -0.0492560 0.0587871 0.1401151 -1.9971417 52 O -2.2060830 0.7085202 0.1104546 0.7470297 -2.0024769 0.8103360 0.0883640 0.2046198 -1.8452559 53 O -2.2060830 0.7085202 0.1104546 0.7470297 -2.0024769 0.8103360 0.0883640 0.2046198 -1.8452559 54 O -3.0236707 -0.0938567 0.2185259 -0.2241946 -0.8308339 -0.0492560 0.0587871 0.1401151 -1.9971417 55 O -1.9930631 -0.3461078 0.1895311 -0.6256764 -2.3810234 -0.7891824 0.3224957 -0.4774024 -2.2729401 56 O -2.2060830 -0.7085202 0.1104546 -0.7470297 -2.0024769 -0.8103360 0.0883640 -0.2046198 -1.8452559 57 O -3.0236707 0.0938567 0.2185259 0.2241946 -0.8308339 0.0492560 0.0587871 -0.1401151 -1.9971417 58 O -1.9930631 0.3461078 0.1895311 0.6256764 -2.3810234 0.7891824 0.3224957 0.4774024 -2.2729401 59 O -2.5087494 0.1545558 0.2087227 -0.1627588 -1.6648298 -0.5406478 0.0641278 -0.4441070 -1.5279743 60 O -2.5492268 -0.0772909 -0.3984528 0.3020365 -1.7074946 -0.4446098 -0.1293988 -0.5624070 -1.5183038 61 O -2.5344176 0.3594414 0.3287933 0.2877405 -1.8328397 -0.7138529 0.5187415 -0.8467150 -1.7120974 62 O -2.5087494 -0.1545558 0.2087227 0.1627588 -1.6648298 0.5406478 0.0641278 0.4441070 -1.5279743 63 O -2.0325476 -0.1832975 -0.3266929 -0.2540262 -1.9209385 -0.9879502 -0.3696953 -0.9532237 -2.1468095 64 O -2.5492268 0.0772909 -0.3984528 -0.3020365 -1.7074946 0.4446098 -0.1293988 0.5624070 -1.5183038 65 O -2.5344176 -0.3594414 0.3287933 -0.2877405 -1.8328397 0.7138529 0.5187415 0.8467150 -1.7120974 66 O -2.0325476 0.1832975 -0.3266929 0.2540262 -1.9209385 0.9879502 -0.3696953 0.9532237 -2.1468095 67 O -1.9905201 0.3545211 0.2071755 0.7009950 -2.4112030 0.7949800 0.1751889 0.6150125 -2.2096949 68 O -3.0232387 0.2079880 0.3064495 0.2244360 -0.8396616 -0.0962821 0.2534004 -0.2443595 -1.8799838 69 O -2.3621192 -0.4910045 0.0565314 -0.6346436 -1.7595278 -0.8025747 -0.1089633 -0.5713535 -2.1649673 70 O -1.9905201 -0.3545211 0.2071755 -0.7009950 -2.4112030 -0.7949800 0.1751889 -0.6150125 -2.2096949 71 O -3.0232387 -0.2079880 0.3064495 -0.2244360 -0.8396616 0.0962821 0.2534004 0.2443595 -1.8799838 72 O -2.3621192 0.4910045 0.0565314 0.6346436 -1.7595278 0.8025747 -0.1089633 0.5713535 -2.1649673 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 215 eigenvectors found. (2) Block: 500 / 592 (2) 232 eigenvectors found. (2) Block: 592 / 592 (2) 65 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 215 eigenvectors found. (2) Block: 500 / 592 (2) 232 eigenvectors found. (2) Block: 592 / 592 (2) 65 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 556), data: False |-- (592, 44), data: (592, 80) @ (80, 44) |-- (92, 65), data: True |-- (250, 232), data: True |-- (250, 215), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 556), data: False |-- (592, 44), data: (592, 80) @ (80, 44) |-- (92, 65), data: True |-- (250, 232), data: True |-- (250, 215), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2160 - Time: 4.064 Solver_block: 200 / 2160 - Time: 3.508 Solver_block: 300 / 2160 - Time: 3.522 Solver_block: 400 / 2160 - Time: 3.535 Solver_block: 500 / 2160 - Time: 3.523 Solver_block: 600 / 2160 - Time: 3.545 Solver_block: 700 / 2160 - Time: 3.523 Solver_block: 800 / 2160 - Time: 3.519 Solver_block: 900 / 2160 - Time: 3.522 Solver_block: 1000 / 2160 - Time: 3.544 Solver_block: 1100 / 2160 - Time: 3.523 Solver_block: 1200 / 2160 - Time: 3.517 Solver_block: 1300 / 2160 - Time: 3.516 Solver_block: 1400 / 2160 - Time: 3.523 Solver_block: 1500 / 2160 - Time: 3.544 Solver_block: 1600 / 2160 - Time: 3.530 Solver_block: 1700 / 2160 - Time: 3.539 Solver_block: 1800 / 2160 - Time: 3.519 Solver_block: 1900 / 2160 - Time: 3.519 Solver_block: 2000 / 2160 - Time: 3.521 Solver_block: 2100 / 2160 - Time: 3.517 Solver_block: 2160 / 2160 - Time: 2.297 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 79.353 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 215 eigenvectors found. (2) Block: 500 / 592 (2) 232 eigenvectors found. (2) Block: 592 / 592 (2) 65 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 215 eigenvectors found. (2) Block: 500 / 592 (2) 232 eigenvectors found. (2) Block: 592 / 592 (2) 65 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 158 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (11826, 11665), data: False |-- (1350, 1332), data: False |-- (1350, 32), data: (1350, 50) @ (50, 32) |-- (350, 332), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 556), data: False |-- (592, 44), data: (592, 80) @ (80, 44) |-- (92, 65), data: True |-- (250, 232), data: True |-- (250, 215), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 122), data: (2592, 158) @ (158, 122) |-- (592, 556), data: False |-- (592, 44), data: (592, 80) @ (80, 44) |-- (92, 65), data: True |-- (250, 232), data: True |-- (250, 215), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), 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 01:15:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:15:10]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -1.122778502311173 0.000000000000000 5.257714257193236 Atomic positions (fractional): 1 Li 0.77895161843931 0.35488985254641 0.52131247109697 6.941 2 Li 0.71908267729060 0.85141809890299 0.49003339098927 6.941 3 Li 0.77895161843931 0.14511014745359 0.02131247109697 6.941 4 Li 0.71908267729060 0.64858190109701 0.99003339098927 6.941 5 Li 0.28091732270940 0.35141809890299 0.00996660901073 6.941 6 Li 0.22104838156069 0.85488985254641 0.97868752890303 6.941 7 Li 0.28091732270940 0.14858190109701 0.50996660901073 6.941 8 Li 0.22104838156069 0.64511014745359 0.47868752890303 6.941 9 Bi 0.88080926526472 0.60555997008100 0.50181717366863 208.980 10 Bi 0.88080926526472 0.89444002991900 0.00181717366863 208.980 11 Bi 0.61715613272890 0.10969772962787 0.41408349897796 208.980 12 Bi 0.61715613272890 0.39030227037213 0.91408349897796 208.980 13 Bi 0.38284386727110 0.60969772962787 0.08591650102204 208.980 14 Bi 0.38284386727110 0.89030227037213 0.58591650102204 208.980 15 Bi 0.11919073473528 0.10555997008100 0.99818282633137 208.980 16 Bi 0.11919073473528 0.39444002991900 0.49818282633137 208.980 17 B 0.99939865152730 0.37027854446373 0.87424561755596 10.811 18 B 0.99939865152730 0.12972145553627 0.37424561755596 10.811 19 B 0.84149002282255 0.11501923810933 0.56019544429922 10.811 20 B 0.84149002282255 0.38498076189067 0.06019544429922 10.811 21 B 0.65954600683241 0.61624786121397 0.49272907668967 10.811 22 B 0.65954600683241 0.88375213878603 0.99272907668967 10.811 23 B 0.49789828536693 0.36823468738074 0.31031936625603 10.811 24 B 0.50210171463307 0.86823468738074 0.18968063374397 10.811 25 B 0.49789828536693 0.13176531261926 0.81031936625603 10.811 26 B 0.50210171463307 0.63176531261926 0.68968063374397 10.811 27 B 0.34045399316759 0.11624786121397 0.00727092331033 10.811 28 B 0.34045399316759 0.38375213878603 0.50727092331033 10.811 29 B 0.15850997717745 0.61501923810933 0.93980455570078 10.811 30 B 0.15850997717745 0.88498076189067 0.43980455570078 10.811 31 B 0.00060134847270 0.87027854446373 0.62575438244404 10.811 32 B 0.00060134847270 0.62972145553627 0.12575438244404 10.811 33 O 0.94686479474865 0.40279446326788 0.63622203167343 15.999 34 O 0.95368405031829 0.11376094403595 0.58799315623405 15.999 35 O 0.89721681298027 0.82567017455447 0.58928499526894 15.999 36 O 0.94686479474865 0.09720553673212 0.13622203167343 15.999 37 O 0.95368405031829 0.38623905596405 0.08799315623405 15.999 38 O 0.89721681298027 0.67432982544553 0.08928499526894 15.999 39 O 0.78976818940414 0.04168858717300 0.70323594751638 15.999 40 O 0.71600932912630 0.53679438693353 0.66411926000554 15.999 41 O 0.78216623975279 0.19015243003994 0.38604713625335 15.999 42 O 0.78976818940414 0.45831141282700 0.20323594751638 15.999 43 O 0.71066739536228 0.68587214927413 0.34592648173381 15.999 44 O 0.71600932912630 0.96320561306647 0.16411926000554 15.999 45 O 0.78216623975279 0.30984756996006 0.88604713625335 15.999 46 O 0.71066739536228 0.81412785072587 0.84592648173381 15.999 47 O 0.60264342091676 0.32859525487192 0.34164288847952 15.999 48 O 0.54664892770866 0.63012419679576 0.47127642660490 15.999 49 O 0.55658297234688 0.90546087185359 0.42104533797187 15.999 50 O 0.60264342091676 0.17140474512808 0.84164288847952 15.999 51 O 0.54664892770866 0.86987580320424 0.97127642660490 15.999 52 O 0.55658297234688 0.59453912814641 0.92104533797187 15.999 53 O 0.44341702765312 0.40546087185359 0.07895466202813 15.999 54 O 0.45335107229134 0.13012419679576 0.02872357339510 15.999 55 O 0.39735657908324 0.82859525487192 0.15835711152048 15.999 56 O 0.44341702765312 0.09453912814641 0.57895466202813 15.999 57 O 0.45335107229134 0.36987580320424 0.52872357339510 15.999 58 O 0.39735657908324 0.67140474512808 0.65835711152048 15.999 59 O 0.28933260463772 0.18587214927414 0.15407351826620 15.999 60 O 0.21783376024721 0.69015243003994 0.11395286374665 15.999 61 O 0.28399067087370 0.03679438693353 0.83588073999446 15.999 62 O 0.28933260463772 0.31412785072587 0.65407351826619 15.999 63 O 0.21023181059585 0.54168858717300 0.79676405248362 15.999 64 O 0.21783376024721 0.80984756996006 0.61395286374665 15.999 65 O 0.28399067087370 0.46320561306647 0.33588073999446 15.999 66 O 0.21023181059585 0.95831141282700 0.29676405248362 15.999 67 O 0.10278318701973 0.32567017455447 0.91071500473106 15.999 68 O 0.04631594968171 0.61376094403595 0.91200684376595 15.999 69 O 0.05313520525135 0.90279446326788 0.86377796832657 15.999 70 O 0.10278318701973 0.17432982544553 0.41071500473106 15.999 71 O 0.04631594968171 0.88623905596405 0.41200684376595 15.999 72 O 0.05313520525135 0.59720553673212 0.36377796832657 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -2.245557004622346 0.000000000000000 10.515428514386471 Atomic positions (fractional): 1 Li 0.77895161843931 0.35488985254641 0.26065623554849 6.941 > 1 2 Li 0.77895161843931 0.35488985254641 0.76065623554849 6.941 > 1 3 Li 0.71908267729060 0.85141809890299 0.24501669549463 6.941 > 3 4 Li 0.71908267729060 0.85141809890299 0.74501669549463 6.941 > 3 5 Li 0.77895161843931 0.14511014745359 0.01065623554849 6.941 > 5 6 Li 0.77895161843931 0.14511014745359 0.51065623554849 6.941 > 5 7 Li 0.71908267729060 0.64858190109701 0.49501669549463 6.941 > 7 8 Li 0.71908267729060 0.64858190109701 0.99501669549463 6.941 > 7 9 Li 0.28091732270940 0.35141809890299 0.00498330450537 6.941 > 9 10 Li 0.28091732270940 0.35141809890299 0.50498330450537 6.941 > 9 11 Li 0.22104838156069 0.85488985254641 0.48934376445151 6.941 > 11 12 Li 0.22104838156069 0.85488985254641 0.98934376445151 6.941 > 11 13 Li 0.28091732270940 0.14858190109701 0.25498330450537 6.941 > 13 14 Li 0.28091732270940 0.14858190109701 0.75498330450537 6.941 > 13 15 Li 0.22104838156069 0.64511014745359 0.23934376445151 6.941 > 15 16 Li 0.22104838156069 0.64511014745359 0.73934376445151 6.941 > 15 17 Bi 0.88080926526472 0.60555997008100 0.25090858683432 208.980 > 17 18 Bi 0.88080926526472 0.60555997008100 0.75090858683432 208.980 > 17 19 Bi 0.88080926526472 0.89444002991900 0.00090858683432 208.980 > 19 20 Bi 0.88080926526472 0.89444002991900 0.50090858683432 208.980 > 19 21 Bi 0.61715613272890 0.10969772962787 0.20704174948898 208.980 > 21 22 Bi 0.61715613272890 0.10969772962787 0.70704174948898 208.980 > 21 23 Bi 0.61715613272890 0.39030227037213 0.45704174948898 208.980 > 23 24 Bi 0.61715613272890 0.39030227037213 0.95704174948898 208.980 > 23 25 Bi 0.38284386727110 0.60969772962787 0.04295825051102 208.980 > 25 26 Bi 0.38284386727110 0.60969772962787 0.54295825051102 208.980 > 25 27 Bi 0.38284386727110 0.89030227037213 0.29295825051102 208.980 > 27 28 Bi 0.38284386727110 0.89030227037213 0.79295825051102 208.980 > 27 29 Bi 0.11919073473528 0.10555997008100 0.49909141316568 208.980 > 29 30 Bi 0.11919073473528 0.10555997008100 0.99909141316568 208.980 > 29 31 Bi 0.11919073473528 0.39444002991900 0.24909141316568 208.980 > 31 32 Bi 0.11919073473528 0.39444002991900 0.74909141316568 208.980 > 31 33 B 0.99939865152730 0.37027854446373 0.43712280877798 10.811 > 33 34 B 0.99939865152730 0.37027854446373 0.93712280877798 10.811 > 33 35 B 0.99939865152730 0.12972145553627 0.18712280877798 10.811 > 35 36 B 0.99939865152730 0.12972145553627 0.68712280877798 10.811 > 35 37 B 0.84149002282255 0.11501923810933 0.28009772214961 10.811 > 37 38 B 0.84149002282255 0.11501923810933 0.78009772214961 10.811 > 37 39 B 0.84149002282255 0.38498076189067 0.03009772214961 10.811 > 39 40 B 0.84149002282255 0.38498076189067 0.53009772214961 10.811 > 39 41 B 0.65954600683241 0.61624786121397 0.24636453834484 10.811 > 41 42 B 0.65954600683241 0.61624786121397 0.74636453834484 10.811 > 41 43 B 0.65954600683241 0.88375213878603 0.49636453834484 10.811 > 43 44 B 0.65954600683241 0.88375213878603 0.99636453834484 10.811 > 43 45 B 0.49789828536693 0.36823468738074 0.15515968312802 10.811 > 45 46 B 0.49789828536693 0.36823468738074 0.65515968312802 10.811 > 45 47 B 0.50210171463307 0.86823468738074 0.09484031687198 10.811 > 47 48 B 0.50210171463307 0.86823468738074 0.59484031687198 10.811 > 47 49 B 0.49789828536693 0.13176531261926 0.40515968312802 10.811 > 49 50 B 0.49789828536693 0.13176531261926 0.90515968312802 10.811 > 49 51 B 0.50210171463307 0.63176531261926 0.34484031687198 10.811 > 51 52 B 0.50210171463307 0.63176531261926 0.84484031687198 10.811 > 51 53 B 0.34045399316759 0.11624786121397 0.00363546165516 10.811 > 53 54 B 0.34045399316759 0.11624786121397 0.50363546165516 10.811 > 53 55 B 0.34045399316759 0.38375213878603 0.25363546165516 10.811 > 55 56 B 0.34045399316759 0.38375213878603 0.75363546165516 10.811 > 55 57 B 0.15850997717745 0.61501923810933 0.46990227785039 10.811 > 57 58 B 0.15850997717745 0.61501923810933 0.96990227785039 10.811 > 57 59 B 0.15850997717745 0.88498076189067 0.21990227785039 10.811 > 59 60 B 0.15850997717745 0.88498076189067 0.71990227785039 10.811 > 59 61 B 0.00060134847270 0.87027854446373 0.31287719122202 10.811 > 61 62 B 0.00060134847270 0.87027854446373 0.81287719122202 10.811 > 61 63 B 0.00060134847270 0.62972145553627 0.06287719122202 10.811 > 63 64 B 0.00060134847270 0.62972145553627 0.56287719122202 10.811 > 63 65 O 0.94686479474865 0.40279446326788 0.31811101583671 15.999 > 65 66 O 0.94686479474865 0.40279446326788 0.81811101583671 15.999 > 65 67 O 0.95368405031829 0.11376094403595 0.29399657811702 15.999 > 67 68 O 0.95368405031829 0.11376094403595 0.79399657811702 15.999 > 67 69 O 0.89721681298027 0.82567017455447 0.29464249763447 15.999 > 69 70 O 0.89721681298027 0.82567017455447 0.79464249763447 15.999 > 69 71 O 0.94686479474865 0.09720553673212 0.06811101583671 15.999 > 71 72 O 0.94686479474865 0.09720553673212 0.56811101583671 15.999 > 71 73 O 0.95368405031829 0.38623905596405 0.04399657811702 15.999 > 73 74 O 0.95368405031829 0.38623905596405 0.54399657811702 15.999 > 73 75 O 0.89721681298027 0.67432982544553 0.04464249763447 15.999 > 75 76 O 0.89721681298027 0.67432982544553 0.54464249763447 15.999 > 75 77 O 0.78976818940414 0.04168858717300 0.35161797375819 15.999 > 77 78 O 0.78976818940414 0.04168858717300 0.85161797375819 15.999 > 77 79 O 0.71600932912630 0.53679438693353 0.33205963000277 15.999 > 79 80 O 0.71600932912630 0.53679438693353 0.83205963000277 15.999 > 79 81 O 0.78216623975279 0.19015243003994 0.19302356812668 15.999 > 81 82 O 0.78216623975279 0.19015243003994 0.69302356812668 15.999 > 81 83 O 0.78976818940414 0.45831141282700 0.10161797375819 15.999 > 83 84 O 0.78976818940414 0.45831141282700 0.60161797375819 15.999 > 83 85 O 0.71066739536228 0.68587214927413 0.17296324086690 15.999 > 85 86 O 0.71066739536228 0.68587214927413 0.67296324086690 15.999 > 85 87 O 0.71600932912630 0.96320561306647 0.08205963000277 15.999 > 87 88 O 0.71600932912630 0.96320561306647 0.58205963000277 15.999 > 87 89 O 0.78216623975279 0.30984756996006 0.44302356812668 15.999 > 89 90 O 0.78216623975279 0.30984756996006 0.94302356812668 15.999 > 89 91 O 0.71066739536228 0.81412785072587 0.42296324086690 15.999 > 91 92 O 0.71066739536228 0.81412785072587 0.92296324086690 15.999 > 91 93 O 0.60264342091676 0.32859525487192 0.17082144423976 15.999 > 93 94 O 0.60264342091676 0.32859525487192 0.67082144423976 15.999 > 93 95 O 0.54664892770866 0.63012419679576 0.23563821330245 15.999 > 95 96 O 0.54664892770866 0.63012419679576 0.73563821330245 15.999 > 95 97 O 0.55658297234688 0.90546087185359 0.21052266898594 15.999 > 97 98 O 0.55658297234688 0.90546087185359 0.71052266898594 15.999 > 97 99 O 0.60264342091676 0.17140474512808 0.42082144423976 15.999 > 99 100 O 0.60264342091676 0.17140474512808 0.92082144423976 15.999 > 99 101 O 0.54664892770866 0.86987580320424 0.48563821330245 15.999 > 101 102 O 0.54664892770866 0.86987580320424 0.98563821330245 15.999 > 101 103 O 0.55658297234688 0.59453912814641 0.46052266898594 15.999 > 103 104 O 0.55658297234688 0.59453912814641 0.96052266898594 15.999 > 103 105 O 0.44341702765312 0.40546087185359 0.03947733101406 15.999 > 105 106 O 0.44341702765312 0.40546087185359 0.53947733101406 15.999 > 105 107 O 0.45335107229134 0.13012419679576 0.01436178669755 15.999 > 107 108 O 0.45335107229134 0.13012419679576 0.51436178669755 15.999 > 107 109 O 0.39735657908324 0.82859525487192 0.07917855576024 15.999 > 109 110 O 0.39735657908324 0.82859525487192 0.57917855576024 15.999 > 109 111 O 0.44341702765312 0.09453912814641 0.28947733101406 15.999 > 111 112 O 0.44341702765312 0.09453912814641 0.78947733101406 15.999 > 111 113 O 0.45335107229134 0.36987580320424 0.26436178669755 15.999 > 113 114 O 0.45335107229134 0.36987580320424 0.76436178669755 15.999 > 113 115 O 0.39735657908324 0.67140474512808 0.32917855576024 15.999 > 115 116 O 0.39735657908324 0.67140474512808 0.82917855576024 15.999 > 115 117 O 0.28933260463772 0.18587214927414 0.07703675913310 15.999 > 117 118 O 0.28933260463772 0.18587214927414 0.57703675913310 15.999 > 117 119 O 0.21783376024721 0.69015243003994 0.05697643187332 15.999 > 119 120 O 0.21783376024721 0.69015243003994 0.55697643187332 15.999 > 119 121 O 0.28399067087370 0.03679438693353 0.41794036999723 15.999 > 121 122 O 0.28399067087370 0.03679438693353 0.91794036999723 15.999 > 121 123 O 0.28933260463772 0.31412785072587 0.32703675913310 15.999 > 123 124 O 0.28933260463772 0.31412785072587 0.82703675913310 15.999 > 123 125 O 0.21023181059585 0.54168858717300 0.39838202624181 15.999 > 125 126 O 0.21023181059585 0.54168858717300 0.89838202624181 15.999 > 125 127 O 0.21783376024721 0.80984756996006 0.30697643187332 15.999 > 127 128 O 0.21783376024721 0.80984756996006 0.80697643187332 15.999 > 127 129 O 0.28399067087370 0.46320561306647 0.16794036999723 15.999 > 129 130 O 0.28399067087370 0.46320561306647 0.66794036999723 15.999 > 129 131 O 0.21023181059585 0.95831141282700 0.14838202624181 15.999 > 131 132 O 0.21023181059585 0.95831141282700 0.64838202624181 15.999 > 131 133 O 0.10278318701973 0.32567017455447 0.45535750236553 15.999 > 133 134 O 0.10278318701973 0.32567017455447 0.95535750236553 15.999 > 133 135 O 0.04631594968171 0.61376094403595 0.45600342188298 15.999 > 135 136 O 0.04631594968171 0.61376094403595 0.95600342188298 15.999 > 135 137 O 0.05313520525135 0.90279446326788 0.43188898416329 15.999 > 137 138 O 0.05313520525135 0.90279446326788 0.93188898416329 15.999 > 137 139 O 0.10278318701973 0.17432982544553 0.20535750236553 15.999 > 139 140 O 0.10278318701973 0.17432982544553 0.70535750236553 15.999 > 139 141 O 0.04631594968171 0.88623905596405 0.20600342188298 15.999 > 141 142 O 0.04631594968171 0.88623905596405 0.70600342188298 15.999 > 141 143 O 0.05313520525135 0.59720553673212 0.18188898416329 15.999 > 143 144 O 0.05313520525135 0.59720553673212 0.68188898416329 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6404486 0.0000000 -0.1360006 0.0000000 4.0742047 0.0000000 -0.1360006 0.0000000 4.2611596 -------------------------- Born effective charges -------------------------- 1 Li 1.1397514 0.1307413 0.0314540 0.0134295 1.1668993 0.1351846 0.0558072 -0.0845156 1.1396824 2 Li 1.1204936 -0.0852314 0.0661286 -0.0715015 1.1332650 0.0693938 0.0687471 -0.1660149 1.1396428 3 Li 1.1397514 -0.1307413 0.0314540 -0.0134295 1.1668993 -0.1351846 0.0558072 0.0845156 1.1396824 4 Li 1.1204936 0.0852314 0.0661286 0.0715015 1.1332650 -0.0693938 0.0687471 0.1660149 1.1396428 5 Li 1.1204936 0.0852314 0.0661286 0.0715015 1.1332650 -0.0693938 0.0687471 0.1660149 1.1396428 6 Li 1.1397514 -0.1307413 0.0314540 -0.0134295 1.1668993 -0.1351846 0.0558072 0.0845156 1.1396824 7 Li 1.1204936 -0.0852314 0.0661286 -0.0715015 1.1332650 0.0693938 0.0687471 -0.1660149 1.1396428 8 Li 1.1397514 0.1307413 0.0314540 0.0134295 1.1668993 0.1351846 0.0558072 -0.0845156 1.1396824 9 Bi 5.3041569 -0.0958362 0.2243362 0.0800621 4.7805241 -0.2176016 -0.0984731 0.3653198 4.3068719 10 Bi 5.3041569 0.0958362 0.2243362 -0.0800621 4.7805241 0.2176016 -0.0984731 -0.3653198 4.3068719 11 Bi 5.3488396 0.1920610 -0.2154272 -0.0362147 4.8725409 0.3280106 0.0017430 -0.0072688 4.3569316 12 Bi 5.3488396 -0.1920610 -0.2154272 0.0362147 4.8725409 -0.3280106 0.0017430 0.0072688 4.3569316 13 Bi 5.3488396 -0.1920610 -0.2154272 0.0362147 4.8725409 -0.3280106 0.0017430 0.0072688 4.3569316 14 Bi 5.3488396 0.1920610 -0.2154272 -0.0362147 4.8725409 0.3280106 0.0017430 -0.0072688 4.3569316 15 Bi 5.3041569 0.0958362 0.2243362 -0.0800621 4.7805241 0.2176016 -0.0984731 -0.3653198 4.3068719 16 Bi 5.3041569 -0.0958362 0.2243362 0.0800621 4.7805241 -0.2176016 -0.0984731 0.3653198 4.3068719 17 B 2.4623313 -0.5312013 -0.5899645 -1.1651258 1.0986952 -0.6173671 -0.3107582 -0.0325590 2.7976749 18 B 2.4623313 0.5312013 -0.5899645 1.1651258 1.0986952 0.6173671 -0.3107582 0.0325590 2.7976749 19 B 3.2369073 -0.2411605 0.2285708 0.3665506 1.5854769 -0.5620595 -0.2777131 -0.6660146 1.5346495 20 B 3.2369073 0.2411605 0.2285708 -0.3665506 1.5854769 0.5620595 -0.2777131 0.6660146 1.5346495 21 B 3.1919383 0.1791522 -0.3336849 -0.2094712 1.6492642 -0.6703656 0.1740210 -0.5904812 1.4689089 22 B 3.1919383 -0.1791522 -0.3336849 0.2094712 1.6492642 0.6703656 0.1740210 0.5904812 1.4689089 23 B 2.4192178 -0.4337326 -0.3124512 -1.1229643 1.0641638 -0.8375381 -0.4864220 -0.1578158 2.5308068 24 B 2.4192178 0.4337326 -0.3124512 1.1229643 1.0641638 0.8375381 -0.4864220 0.1578158 2.5308068 25 B 2.4192178 0.4337326 -0.3124512 1.1229643 1.0641638 0.8375381 -0.4864220 0.1578158 2.5308068 26 B 2.4192178 -0.4337326 -0.3124512 -1.1229643 1.0641638 -0.8375381 -0.4864220 -0.1578158 2.5308068 27 B 3.1919383 -0.1791522 -0.3336849 0.2094712 1.6492642 0.6703656 0.1740210 0.5904812 1.4689089 28 B 3.1919383 0.1791522 -0.3336849 -0.2094712 1.6492642 -0.6703656 0.1740210 -0.5904812 1.4689089 29 B 3.2369073 0.2411605 0.2285708 -0.3665506 1.5854769 0.5620595 -0.2777131 0.6660146 1.5346495 30 B 3.2369073 -0.2411605 0.2285708 0.3665506 1.5854769 -0.5620595 -0.2777131 -0.6660146 1.5346495 31 B 2.4623313 0.5312013 -0.5899645 1.1651258 1.0986952 0.6173671 -0.3107582 0.0325590 2.7976749 32 B 2.4623313 -0.5312013 -0.5899645 -1.1651258 1.0986952 -0.6173671 -0.3107582 -0.0325590 2.7976749 33 O -2.3621192 0.4910045 0.0565314 0.6346436 -1.7595278 0.8025747 -0.1089633 0.5713535 -2.1649673 34 O -3.0232387 -0.2079880 0.3064495 -0.2244360 -0.8396616 0.0962821 0.2534004 0.2443595 -1.8799838 35 O -1.9905201 -0.3545211 0.2071755 -0.7009950 -2.4112030 -0.7949800 0.1751889 -0.6150125 -2.2096949 36 O -2.3621192 -0.4910045 0.0565314 -0.6346436 -1.7595278 -0.8025747 -0.1089633 -0.5713535 -2.1649673 37 O -3.0232387 0.2079880 0.3064495 0.2244360 -0.8396616 -0.0962821 0.2534004 -0.2443595 -1.8799838 38 O -1.9905201 0.3545211 0.2071755 0.7009950 -2.4112030 0.7949800 0.1751889 0.6150125 -2.2096949 39 O -2.0325476 0.1832975 -0.3266929 0.2540262 -1.9209385 0.9879502 -0.3696953 0.9532237 -2.1468095 40 O -2.5344176 -0.3594414 0.3287933 -0.2877405 -1.8328397 0.7138529 0.5187415 0.8467150 -1.7120974 41 O -2.5492268 0.0772909 -0.3984528 -0.3020365 -1.7074946 0.4446098 -0.1293988 0.5624070 -1.5183038 42 O -2.0325476 -0.1832975 -0.3266929 -0.2540262 -1.9209385 -0.9879502 -0.3696953 -0.9532237 -2.1468095 43 O -2.5087494 -0.1545558 0.2087227 0.1627588 -1.6648298 0.5406478 0.0641278 0.4441070 -1.5279743 44 O -2.5344176 0.3594414 0.3287933 0.2877405 -1.8328397 -0.7138529 0.5187415 -0.8467150 -1.7120974 45 O -2.5492268 -0.0772909 -0.3984528 0.3020365 -1.7074946 -0.4446098 -0.1293988 -0.5624070 -1.5183038 46 O -2.5087494 0.1545558 0.2087227 -0.1627588 -1.6648298 -0.5406478 0.0641278 -0.4441070 -1.5279743 47 O -1.9930631 0.3461078 0.1895311 0.6256764 -2.3810234 0.7891824 0.3224957 0.4774024 -2.2729401 48 O -3.0236707 0.0938567 0.2185259 0.2241946 -0.8308339 0.0492560 0.0587871 -0.1401151 -1.9971417 49 O -2.2060830 -0.7085202 0.1104546 -0.7470297 -2.0024769 -0.8103360 0.0883640 -0.2046198 -1.8452559 50 O -1.9930631 -0.3461078 0.1895311 -0.6256764 -2.3810234 -0.7891824 0.3224957 -0.4774024 -2.2729401 51 O -3.0236707 -0.0938567 0.2185259 -0.2241946 -0.8308339 -0.0492560 0.0587871 0.1401151 -1.9971417 52 O -2.2060830 0.7085202 0.1104546 0.7470297 -2.0024769 0.8103360 0.0883640 0.2046198 -1.8452559 53 O -2.2060830 0.7085202 0.1104546 0.7470297 -2.0024769 0.8103360 0.0883640 0.2046198 -1.8452559 54 O -3.0236707 -0.0938567 0.2185259 -0.2241946 -0.8308339 -0.0492560 0.0587871 0.1401151 -1.9971417 55 O -1.9930631 -0.3461078 0.1895311 -0.6256764 -2.3810234 -0.7891824 0.3224957 -0.4774024 -2.2729401 56 O -2.2060830 -0.7085202 0.1104546 -0.7470297 -2.0024769 -0.8103360 0.0883640 -0.2046198 -1.8452559 57 O -3.0236707 0.0938567 0.2185259 0.2241946 -0.8308339 0.0492560 0.0587871 -0.1401151 -1.9971417 58 O -1.9930631 0.3461078 0.1895311 0.6256764 -2.3810234 0.7891824 0.3224957 0.4774024 -2.2729401 59 O -2.5087494 0.1545558 0.2087227 -0.1627588 -1.6648298 -0.5406478 0.0641278 -0.4441070 -1.5279743 60 O -2.5492268 -0.0772909 -0.3984528 0.3020365 -1.7074946 -0.4446098 -0.1293988 -0.5624070 -1.5183038 61 O -2.5344176 0.3594414 0.3287933 0.2877405 -1.8328397 -0.7138529 0.5187415 -0.8467150 -1.7120974 62 O -2.5087494 -0.1545558 0.2087227 0.1627588 -1.6648298 0.5406478 0.0641278 0.4441070 -1.5279743 63 O -2.0325476 -0.1832975 -0.3266929 -0.2540262 -1.9209385 -0.9879502 -0.3696953 -0.9532237 -2.1468095 64 O -2.5492268 0.0772909 -0.3984528 -0.3020365 -1.7074946 0.4446098 -0.1293988 0.5624070 -1.5183038 65 O -2.5344176 -0.3594414 0.3287933 -0.2877405 -1.8328397 0.7138529 0.5187415 0.8467150 -1.7120974 66 O -2.0325476 0.1832975 -0.3266929 0.2540262 -1.9209385 0.9879502 -0.3696953 0.9532237 -2.1468095 67 O -1.9905201 0.3545211 0.2071755 0.7009950 -2.4112030 0.7949800 0.1751889 0.6150125 -2.2096949 68 O -3.0232387 0.2079880 0.3064495 0.2244360 -0.8396616 -0.0962821 0.2534004 -0.2443595 -1.8799838 69 O -2.3621192 -0.4910045 0.0565314 -0.6346436 -1.7595278 -0.8025747 -0.1089633 -0.5713535 -2.1649673 70 O -1.9905201 -0.3545211 0.2071755 -0.7009950 -2.4112030 -0.7949800 0.1751889 -0.6150125 -2.2096949 71 O -3.0232387 -0.2079880 0.3064495 -0.2244360 -0.8396616 0.0962821 0.2534004 0.2443595 -1.8799838 72 O -2.3621192 0.4910045 0.0565314 0.6346436 -1.7595278 0.8025747 -0.1089633 0.5713535 -2.1649673 ---------------------------------------------------------------------------- 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 37, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 69, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 77, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 79, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 85, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 93, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 95, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 01:17:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:17:15]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -1.122778502311173 0.000000000000000 5.257714257193236 Atomic positions (fractional): 1 Li 0.77895161843931 0.35488985254641 0.52131247109697 6.941 2 Li 0.71908267729060 0.85141809890299 0.49003339098927 6.941 3 Li 0.77895161843931 0.14511014745359 0.02131247109697 6.941 4 Li 0.71908267729060 0.64858190109701 0.99003339098927 6.941 5 Li 0.28091732270940 0.35141809890299 0.00996660901073 6.941 6 Li 0.22104838156069 0.85488985254641 0.97868752890303 6.941 7 Li 0.28091732270940 0.14858190109701 0.50996660901073 6.941 8 Li 0.22104838156069 0.64511014745359 0.47868752890303 6.941 9 Bi 0.88080926526472 0.60555997008100 0.50181717366863 208.980 10 Bi 0.88080926526472 0.89444002991900 0.00181717366863 208.980 11 Bi 0.61715613272890 0.10969772962787 0.41408349897796 208.980 12 Bi 0.61715613272890 0.39030227037213 0.91408349897796 208.980 13 Bi 0.38284386727110 0.60969772962787 0.08591650102204 208.980 14 Bi 0.38284386727110 0.89030227037213 0.58591650102204 208.980 15 Bi 0.11919073473528 0.10555997008100 0.99818282633137 208.980 16 Bi 0.11919073473528 0.39444002991900 0.49818282633137 208.980 17 B 0.99939865152730 0.37027854446373 0.87424561755596 10.811 18 B 0.99939865152730 0.12972145553627 0.37424561755596 10.811 19 B 0.84149002282255 0.11501923810933 0.56019544429922 10.811 20 B 0.84149002282255 0.38498076189067 0.06019544429922 10.811 21 B 0.65954600683241 0.61624786121397 0.49272907668967 10.811 22 B 0.65954600683241 0.88375213878603 0.99272907668967 10.811 23 B 0.49789828536693 0.36823468738074 0.31031936625603 10.811 24 B 0.50210171463307 0.86823468738074 0.18968063374397 10.811 25 B 0.49789828536693 0.13176531261926 0.81031936625603 10.811 26 B 0.50210171463307 0.63176531261926 0.68968063374397 10.811 27 B 0.34045399316759 0.11624786121397 0.00727092331033 10.811 28 B 0.34045399316759 0.38375213878603 0.50727092331033 10.811 29 B 0.15850997717745 0.61501923810933 0.93980455570078 10.811 30 B 0.15850997717745 0.88498076189067 0.43980455570078 10.811 31 B 0.00060134847270 0.87027854446373 0.62575438244404 10.811 32 B 0.00060134847270 0.62972145553627 0.12575438244404 10.811 33 O 0.94686479474865 0.40279446326788 0.63622203167343 15.999 34 O 0.95368405031829 0.11376094403595 0.58799315623405 15.999 35 O 0.89721681298027 0.82567017455447 0.58928499526894 15.999 36 O 0.94686479474865 0.09720553673212 0.13622203167343 15.999 37 O 0.95368405031829 0.38623905596405 0.08799315623405 15.999 38 O 0.89721681298027 0.67432982544553 0.08928499526894 15.999 39 O 0.78976818940414 0.04168858717300 0.70323594751638 15.999 40 O 0.71600932912630 0.53679438693353 0.66411926000554 15.999 41 O 0.78216623975279 0.19015243003994 0.38604713625335 15.999 42 O 0.78976818940414 0.45831141282700 0.20323594751638 15.999 43 O 0.71066739536228 0.68587214927413 0.34592648173381 15.999 44 O 0.71600932912630 0.96320561306647 0.16411926000554 15.999 45 O 0.78216623975279 0.30984756996006 0.88604713625335 15.999 46 O 0.71066739536228 0.81412785072587 0.84592648173381 15.999 47 O 0.60264342091676 0.32859525487192 0.34164288847952 15.999 48 O 0.54664892770866 0.63012419679576 0.47127642660490 15.999 49 O 0.55658297234688 0.90546087185359 0.42104533797187 15.999 50 O 0.60264342091676 0.17140474512808 0.84164288847952 15.999 51 O 0.54664892770866 0.86987580320424 0.97127642660490 15.999 52 O 0.55658297234688 0.59453912814641 0.92104533797187 15.999 53 O 0.44341702765312 0.40546087185359 0.07895466202813 15.999 54 O 0.45335107229134 0.13012419679576 0.02872357339510 15.999 55 O 0.39735657908324 0.82859525487192 0.15835711152048 15.999 56 O 0.44341702765312 0.09453912814641 0.57895466202813 15.999 57 O 0.45335107229134 0.36987580320424 0.52872357339510 15.999 58 O 0.39735657908324 0.67140474512808 0.65835711152048 15.999 59 O 0.28933260463772 0.18587214927414 0.15407351826620 15.999 60 O 0.21783376024721 0.69015243003994 0.11395286374665 15.999 61 O 0.28399067087370 0.03679438693353 0.83588073999446 15.999 62 O 0.28933260463772 0.31412785072587 0.65407351826619 15.999 63 O 0.21023181059585 0.54168858717300 0.79676405248362 15.999 64 O 0.21783376024721 0.80984756996006 0.61395286374665 15.999 65 O 0.28399067087370 0.46320561306647 0.33588073999446 15.999 66 O 0.21023181059585 0.95831141282700 0.29676405248362 15.999 67 O 0.10278318701973 0.32567017455447 0.91071500473106 15.999 68 O 0.04631594968171 0.61376094403595 0.91200684376595 15.999 69 O 0.05313520525135 0.90279446326788 0.86377796832657 15.999 70 O 0.10278318701973 0.17432982544553 0.41071500473106 15.999 71 O 0.04631594968171 0.88623905596405 0.41200684376595 15.999 72 O 0.05313520525135 0.59720553673212 0.36377796832657 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.714366930229968 0.000000000000000 0.000000000000000 b 0.000000000000000 11.160951410000001 0.000000000000000 c -2.245557004622346 0.000000000000000 10.515428514386471 Atomic positions (fractional): 1 Li 0.77895161843931 0.35488985254641 0.26065623554849 6.941 > 1 2 Li 0.77895161843931 0.35488985254641 0.76065623554849 6.941 > 1 3 Li 0.71908267729060 0.85141809890299 0.24501669549463 6.941 > 3 4 Li 0.71908267729060 0.85141809890299 0.74501669549463 6.941 > 3 5 Li 0.77895161843931 0.14511014745359 0.01065623554849 6.941 > 5 6 Li 0.77895161843931 0.14511014745359 0.51065623554849 6.941 > 5 7 Li 0.71908267729060 0.64858190109701 0.49501669549463 6.941 > 7 8 Li 0.71908267729060 0.64858190109701 0.99501669549463 6.941 > 7 9 Li 0.28091732270940 0.35141809890299 0.00498330450537 6.941 > 9 10 Li 0.28091732270940 0.35141809890299 0.50498330450537 6.941 > 9 11 Li 0.22104838156069 0.85488985254641 0.48934376445151 6.941 > 11 12 Li 0.22104838156069 0.85488985254641 0.98934376445151 6.941 > 11 13 Li 0.28091732270940 0.14858190109701 0.25498330450537 6.941 > 13 14 Li 0.28091732270940 0.14858190109701 0.75498330450537 6.941 > 13 15 Li 0.22104838156069 0.64511014745359 0.23934376445151 6.941 > 15 16 Li 0.22104838156069 0.64511014745359 0.73934376445151 6.941 > 15 17 Bi 0.88080926526472 0.60555997008100 0.25090858683432 208.980 > 17 18 Bi 0.88080926526472 0.60555997008100 0.75090858683432 208.980 > 17 19 Bi 0.88080926526472 0.89444002991900 0.00090858683432 208.980 > 19 20 Bi 0.88080926526472 0.89444002991900 0.50090858683432 208.980 > 19 21 Bi 0.61715613272890 0.10969772962787 0.20704174948898 208.980 > 21 22 Bi 0.61715613272890 0.10969772962787 0.70704174948898 208.980 > 21 23 Bi 0.61715613272890 0.39030227037213 0.45704174948898 208.980 > 23 24 Bi 0.61715613272890 0.39030227037213 0.95704174948898 208.980 > 23 25 Bi 0.38284386727110 0.60969772962787 0.04295825051102 208.980 > 25 26 Bi 0.38284386727110 0.60969772962787 0.54295825051102 208.980 > 25 27 Bi 0.38284386727110 0.89030227037213 0.29295825051102 208.980 > 27 28 Bi 0.38284386727110 0.89030227037213 0.79295825051102 208.980 > 27 29 Bi 0.11919073473528 0.10555997008100 0.49909141316568 208.980 > 29 30 Bi 0.11919073473528 0.10555997008100 0.99909141316568 208.980 > 29 31 Bi 0.11919073473528 0.39444002991900 0.24909141316568 208.980 > 31 32 Bi 0.11919073473528 0.39444002991900 0.74909141316568 208.980 > 31 33 B 0.99939865152730 0.37027854446373 0.43712280877798 10.811 > 33 34 B 0.99939865152730 0.37027854446373 0.93712280877798 10.811 > 33 35 B 0.99939865152730 0.12972145553627 0.18712280877798 10.811 > 35 36 B 0.99939865152730 0.12972145553627 0.68712280877798 10.811 > 35 37 B 0.84149002282255 0.11501923810933 0.28009772214961 10.811 > 37 38 B 0.84149002282255 0.11501923810933 0.78009772214961 10.811 > 37 39 B 0.84149002282255 0.38498076189067 0.03009772214961 10.811 > 39 40 B 0.84149002282255 0.38498076189067 0.53009772214961 10.811 > 39 41 B 0.65954600683241 0.61624786121397 0.24636453834484 10.811 > 41 42 B 0.65954600683241 0.61624786121397 0.74636453834484 10.811 > 41 43 B 0.65954600683241 0.88375213878603 0.49636453834484 10.811 > 43 44 B 0.65954600683241 0.88375213878603 0.99636453834484 10.811 > 43 45 B 0.49789828536693 0.36823468738074 0.15515968312802 10.811 > 45 46 B 0.49789828536693 0.36823468738074 0.65515968312802 10.811 > 45 47 B 0.50210171463307 0.86823468738074 0.09484031687198 10.811 > 47 48 B 0.50210171463307 0.86823468738074 0.59484031687198 10.811 > 47 49 B 0.49789828536693 0.13176531261926 0.40515968312802 10.811 > 49 50 B 0.49789828536693 0.13176531261926 0.90515968312802 10.811 > 49 51 B 0.50210171463307 0.63176531261926 0.34484031687198 10.811 > 51 52 B 0.50210171463307 0.63176531261926 0.84484031687198 10.811 > 51 53 B 0.34045399316759 0.11624786121397 0.00363546165516 10.811 > 53 54 B 0.34045399316759 0.11624786121397 0.50363546165516 10.811 > 53 55 B 0.34045399316759 0.38375213878603 0.25363546165516 10.811 > 55 56 B 0.34045399316759 0.38375213878603 0.75363546165516 10.811 > 55 57 B 0.15850997717745 0.61501923810933 0.46990227785039 10.811 > 57 58 B 0.15850997717745 0.61501923810933 0.96990227785039 10.811 > 57 59 B 0.15850997717745 0.88498076189067 0.21990227785039 10.811 > 59 60 B 0.15850997717745 0.88498076189067 0.71990227785039 10.811 > 59 61 B 0.00060134847270 0.87027854446373 0.31287719122202 10.811 > 61 62 B 0.00060134847270 0.87027854446373 0.81287719122202 10.811 > 61 63 B 0.00060134847270 0.62972145553627 0.06287719122202 10.811 > 63 64 B 0.00060134847270 0.62972145553627 0.56287719122202 10.811 > 63 65 O 0.94686479474865 0.40279446326788 0.31811101583671 15.999 > 65 66 O 0.94686479474865 0.40279446326788 0.81811101583671 15.999 > 65 67 O 0.95368405031829 0.11376094403595 0.29399657811702 15.999 > 67 68 O 0.95368405031829 0.11376094403595 0.79399657811702 15.999 > 67 69 O 0.89721681298027 0.82567017455447 0.29464249763447 15.999 > 69 70 O 0.89721681298027 0.82567017455447 0.79464249763447 15.999 > 69 71 O 0.94686479474865 0.09720553673212 0.06811101583671 15.999 > 71 72 O 0.94686479474865 0.09720553673212 0.56811101583671 15.999 > 71 73 O 0.95368405031829 0.38623905596405 0.04399657811702 15.999 > 73 74 O 0.95368405031829 0.38623905596405 0.54399657811702 15.999 > 73 75 O 0.89721681298027 0.67432982544553 0.04464249763447 15.999 > 75 76 O 0.89721681298027 0.67432982544553 0.54464249763447 15.999 > 75 77 O 0.78976818940414 0.04168858717300 0.35161797375819 15.999 > 77 78 O 0.78976818940414 0.04168858717300 0.85161797375819 15.999 > 77 79 O 0.71600932912630 0.53679438693353 0.33205963000277 15.999 > 79 80 O 0.71600932912630 0.53679438693353 0.83205963000277 15.999 > 79 81 O 0.78216623975279 0.19015243003994 0.19302356812668 15.999 > 81 82 O 0.78216623975279 0.19015243003994 0.69302356812668 15.999 > 81 83 O 0.78976818940414 0.45831141282700 0.10161797375819 15.999 > 83 84 O 0.78976818940414 0.45831141282700 0.60161797375819 15.999 > 83 85 O 0.71066739536228 0.68587214927413 0.17296324086690 15.999 > 85 86 O 0.71066739536228 0.68587214927413 0.67296324086690 15.999 > 85 87 O 0.71600932912630 0.96320561306647 0.08205963000277 15.999 > 87 88 O 0.71600932912630 0.96320561306647 0.58205963000277 15.999 > 87 89 O 0.78216623975279 0.30984756996006 0.44302356812668 15.999 > 89 90 O 0.78216623975279 0.30984756996006 0.94302356812668 15.999 > 89 91 O 0.71066739536228 0.81412785072587 0.42296324086690 15.999 > 91 92 O 0.71066739536228 0.81412785072587 0.92296324086690 15.999 > 91 93 O 0.60264342091676 0.32859525487192 0.17082144423976 15.999 > 93 94 O 0.60264342091676 0.32859525487192 0.67082144423976 15.999 > 93 95 O 0.54664892770866 0.63012419679576 0.23563821330245 15.999 > 95 96 O 0.54664892770866 0.63012419679576 0.73563821330245 15.999 > 95 97 O 0.55658297234688 0.90546087185359 0.21052266898594 15.999 > 97 98 O 0.55658297234688 0.90546087185359 0.71052266898594 15.999 > 97 99 O 0.60264342091676 0.17140474512808 0.42082144423976 15.999 > 99 100 O 0.60264342091676 0.17140474512808 0.92082144423976 15.999 > 99 101 O 0.54664892770866 0.86987580320424 0.48563821330245 15.999 > 101 102 O 0.54664892770866 0.86987580320424 0.98563821330245 15.999 > 101 103 O 0.55658297234688 0.59453912814641 0.46052266898594 15.999 > 103 104 O 0.55658297234688 0.59453912814641 0.96052266898594 15.999 > 103 105 O 0.44341702765312 0.40546087185359 0.03947733101406 15.999 > 105 106 O 0.44341702765312 0.40546087185359 0.53947733101406 15.999 > 105 107 O 0.45335107229134 0.13012419679576 0.01436178669755 15.999 > 107 108 O 0.45335107229134 0.13012419679576 0.51436178669755 15.999 > 107 109 O 0.39735657908324 0.82859525487192 0.07917855576024 15.999 > 109 110 O 0.39735657908324 0.82859525487192 0.57917855576024 15.999 > 109 111 O 0.44341702765312 0.09453912814641 0.28947733101406 15.999 > 111 112 O 0.44341702765312 0.09453912814641 0.78947733101406 15.999 > 111 113 O 0.45335107229134 0.36987580320424 0.26436178669755 15.999 > 113 114 O 0.45335107229134 0.36987580320424 0.76436178669755 15.999 > 113 115 O 0.39735657908324 0.67140474512808 0.32917855576024 15.999 > 115 116 O 0.39735657908324 0.67140474512808 0.82917855576024 15.999 > 115 117 O 0.28933260463772 0.18587214927414 0.07703675913310 15.999 > 117 118 O 0.28933260463772 0.18587214927414 0.57703675913310 15.999 > 117 119 O 0.21783376024721 0.69015243003994 0.05697643187332 15.999 > 119 120 O 0.21783376024721 0.69015243003994 0.55697643187332 15.999 > 119 121 O 0.28399067087370 0.03679438693353 0.41794036999723 15.999 > 121 122 O 0.28399067087370 0.03679438693353 0.91794036999723 15.999 > 121 123 O 0.28933260463772 0.31412785072587 0.32703675913310 15.999 > 123 124 O 0.28933260463772 0.31412785072587 0.82703675913310 15.999 > 123 125 O 0.21023181059585 0.54168858717300 0.39838202624181 15.999 > 125 126 O 0.21023181059585 0.54168858717300 0.89838202624181 15.999 > 125 127 O 0.21783376024721 0.80984756996006 0.30697643187332 15.999 > 127 128 O 0.21783376024721 0.80984756996006 0.80697643187332 15.999 > 127 129 O 0.28399067087370 0.46320561306647 0.16794036999723 15.999 > 129 130 O 0.28399067087370 0.46320561306647 0.66794036999723 15.999 > 129 131 O 0.21023181059585 0.95831141282700 0.14838202624181 15.999 > 131 132 O 0.21023181059585 0.95831141282700 0.64838202624181 15.999 > 131 133 O 0.10278318701973 0.32567017455447 0.45535750236553 15.999 > 133 134 O 0.10278318701973 0.32567017455447 0.95535750236553 15.999 > 133 135 O 0.04631594968171 0.61376094403595 0.45600342188298 15.999 > 135 136 O 0.04631594968171 0.61376094403595 0.95600342188298 15.999 > 135 137 O 0.05313520525135 0.90279446326788 0.43188898416329 15.999 > 137 138 O 0.05313520525135 0.90279446326788 0.93188898416329 15.999 > 137 139 O 0.10278318701973 0.17432982544553 0.20535750236553 15.999 > 139 140 O 0.10278318701973 0.17432982544553 0.70535750236553 15.999 > 139 141 O 0.04631594968171 0.88623905596405 0.20600342188298 15.999 > 141 142 O 0.04631594968171 0.88623905596405 0.70600342188298 15.999 > 141 143 O 0.05313520525135 0.59720553673212 0.18188898416329 15.999 > 143 144 O 0.05313520525135 0.59720553673212 0.68188898416329 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6404486 0.0000000 -0.1360006 0.0000000 4.0742047 0.0000000 -0.1360006 0.0000000 4.2611596 -------------------------- Born effective charges -------------------------- 1 Li 1.1397514 0.1307413 0.0314540 0.0134295 1.1668993 0.1351846 0.0558072 -0.0845156 1.1396824 2 Li 1.1204936 -0.0852314 0.0661286 -0.0715015 1.1332650 0.0693938 0.0687471 -0.1660149 1.1396428 3 Li 1.1397514 -0.1307413 0.0314540 -0.0134295 1.1668993 -0.1351846 0.0558072 0.0845156 1.1396824 4 Li 1.1204936 0.0852314 0.0661286 0.0715015 1.1332650 -0.0693938 0.0687471 0.1660149 1.1396428 5 Li 1.1204936 0.0852314 0.0661286 0.0715015 1.1332650 -0.0693938 0.0687471 0.1660149 1.1396428 6 Li 1.1397514 -0.1307413 0.0314540 -0.0134295 1.1668993 -0.1351846 0.0558072 0.0845156 1.1396824 7 Li 1.1204936 -0.0852314 0.0661286 -0.0715015 1.1332650 0.0693938 0.0687471 -0.1660149 1.1396428 8 Li 1.1397514 0.1307413 0.0314540 0.0134295 1.1668993 0.1351846 0.0558072 -0.0845156 1.1396824 9 Bi 5.3041569 -0.0958362 0.2243362 0.0800621 4.7805241 -0.2176016 -0.0984731 0.3653198 4.3068719 10 Bi 5.3041569 0.0958362 0.2243362 -0.0800621 4.7805241 0.2176016 -0.0984731 -0.3653198 4.3068719 11 Bi 5.3488396 0.1920610 -0.2154272 -0.0362147 4.8725409 0.3280106 0.0017430 -0.0072688 4.3569316 12 Bi 5.3488396 -0.1920610 -0.2154272 0.0362147 4.8725409 -0.3280106 0.0017430 0.0072688 4.3569316 13 Bi 5.3488396 -0.1920610 -0.2154272 0.0362147 4.8725409 -0.3280106 0.0017430 0.0072688 4.3569316 14 Bi 5.3488396 0.1920610 -0.2154272 -0.0362147 4.8725409 0.3280106 0.0017430 -0.0072688 4.3569316 15 Bi 5.3041569 0.0958362 0.2243362 -0.0800621 4.7805241 0.2176016 -0.0984731 -0.3653198 4.3068719 16 Bi 5.3041569 -0.0958362 0.2243362 0.0800621 4.7805241 -0.2176016 -0.0984731 0.3653198 4.3068719 17 B 2.4623313 -0.5312013 -0.5899645 -1.1651258 1.0986952 -0.6173671 -0.3107582 -0.0325590 2.7976749 18 B 2.4623313 0.5312013 -0.5899645 1.1651258 1.0986952 0.6173671 -0.3107582 0.0325590 2.7976749 19 B 3.2369073 -0.2411605 0.2285708 0.3665506 1.5854769 -0.5620595 -0.2777131 -0.6660146 1.5346495 20 B 3.2369073 0.2411605 0.2285708 -0.3665506 1.5854769 0.5620595 -0.2777131 0.6660146 1.5346495 21 B 3.1919383 0.1791522 -0.3336849 -0.2094712 1.6492642 -0.6703656 0.1740210 -0.5904812 1.4689089 22 B 3.1919383 -0.1791522 -0.3336849 0.2094712 1.6492642 0.6703656 0.1740210 0.5904812 1.4689089 23 B 2.4192178 -0.4337326 -0.3124512 -1.1229643 1.0641638 -0.8375381 -0.4864220 -0.1578158 2.5308068 24 B 2.4192178 0.4337326 -0.3124512 1.1229643 1.0641638 0.8375381 -0.4864220 0.1578158 2.5308068 25 B 2.4192178 0.4337326 -0.3124512 1.1229643 1.0641638 0.8375381 -0.4864220 0.1578158 2.5308068 26 B 2.4192178 -0.4337326 -0.3124512 -1.1229643 1.0641638 -0.8375381 -0.4864220 -0.1578158 2.5308068 27 B 3.1919383 -0.1791522 -0.3336849 0.2094712 1.6492642 0.6703656 0.1740210 0.5904812 1.4689089 28 B 3.1919383 0.1791522 -0.3336849 -0.2094712 1.6492642 -0.6703656 0.1740210 -0.5904812 1.4689089 29 B 3.2369073 0.2411605 0.2285708 -0.3665506 1.5854769 0.5620595 -0.2777131 0.6660146 1.5346495 30 B 3.2369073 -0.2411605 0.2285708 0.3665506 1.5854769 -0.5620595 -0.2777131 -0.6660146 1.5346495 31 B 2.4623313 0.5312013 -0.5899645 1.1651258 1.0986952 0.6173671 -0.3107582 0.0325590 2.7976749 32 B 2.4623313 -0.5312013 -0.5899645 -1.1651258 1.0986952 -0.6173671 -0.3107582 -0.0325590 2.7976749 33 O -2.3621192 0.4910045 0.0565314 0.6346436 -1.7595278 0.8025747 -0.1089633 0.5713535 -2.1649673 34 O -3.0232387 -0.2079880 0.3064495 -0.2244360 -0.8396616 0.0962821 0.2534004 0.2443595 -1.8799838 35 O -1.9905201 -0.3545211 0.2071755 -0.7009950 -2.4112030 -0.7949800 0.1751889 -0.6150125 -2.2096949 36 O -2.3621192 -0.4910045 0.0565314 -0.6346436 -1.7595278 -0.8025747 -0.1089633 -0.5713535 -2.1649673 37 O -3.0232387 0.2079880 0.3064495 0.2244360 -0.8396616 -0.0962821 0.2534004 -0.2443595 -1.8799838 38 O -1.9905201 0.3545211 0.2071755 0.7009950 -2.4112030 0.7949800 0.1751889 0.6150125 -2.2096949 39 O -2.0325476 0.1832975 -0.3266929 0.2540262 -1.9209385 0.9879502 -0.3696953 0.9532237 -2.1468095 40 O -2.5344176 -0.3594414 0.3287933 -0.2877405 -1.8328397 0.7138529 0.5187415 0.8467150 -1.7120974 41 O -2.5492268 0.0772909 -0.3984528 -0.3020365 -1.7074946 0.4446098 -0.1293988 0.5624070 -1.5183038 42 O -2.0325476 -0.1832975 -0.3266929 -0.2540262 -1.9209385 -0.9879502 -0.3696953 -0.9532237 -2.1468095 43 O -2.5087494 -0.1545558 0.2087227 0.1627588 -1.6648298 0.5406478 0.0641278 0.4441070 -1.5279743 44 O -2.5344176 0.3594414 0.3287933 0.2877405 -1.8328397 -0.7138529 0.5187415 -0.8467150 -1.7120974 45 O -2.5492268 -0.0772909 -0.3984528 0.3020365 -1.7074946 -0.4446098 -0.1293988 -0.5624070 -1.5183038 46 O -2.5087494 0.1545558 0.2087227 -0.1627588 -1.6648298 -0.5406478 0.0641278 -0.4441070 -1.5279743 47 O -1.9930631 0.3461078 0.1895311 0.6256764 -2.3810234 0.7891824 0.3224957 0.4774024 -2.2729401 48 O -3.0236707 0.0938567 0.2185259 0.2241946 -0.8308339 0.0492560 0.0587871 -0.1401151 -1.9971417 49 O -2.2060830 -0.7085202 0.1104546 -0.7470297 -2.0024769 -0.8103360 0.0883640 -0.2046198 -1.8452559 50 O -1.9930631 -0.3461078 0.1895311 -0.6256764 -2.3810234 -0.7891824 0.3224957 -0.4774024 -2.2729401 51 O -3.0236707 -0.0938567 0.2185259 -0.2241946 -0.8308339 -0.0492560 0.0587871 0.1401151 -1.9971417 52 O -2.2060830 0.7085202 0.1104546 0.7470297 -2.0024769 0.8103360 0.0883640 0.2046198 -1.8452559 53 O -2.2060830 0.7085202 0.1104546 0.7470297 -2.0024769 0.8103360 0.0883640 0.2046198 -1.8452559 54 O -3.0236707 -0.0938567 0.2185259 -0.2241946 -0.8308339 -0.0492560 0.0587871 0.1401151 -1.9971417 55 O -1.9930631 -0.3461078 0.1895311 -0.6256764 -2.3810234 -0.7891824 0.3224957 -0.4774024 -2.2729401 56 O -2.2060830 -0.7085202 0.1104546 -0.7470297 -2.0024769 -0.8103360 0.0883640 -0.2046198 -1.8452559 57 O -3.0236707 0.0938567 0.2185259 0.2241946 -0.8308339 0.0492560 0.0587871 -0.1401151 -1.9971417 58 O -1.9930631 0.3461078 0.1895311 0.6256764 -2.3810234 0.7891824 0.3224957 0.4774024 -2.2729401 59 O -2.5087494 0.1545558 0.2087227 -0.1627588 -1.6648298 -0.5406478 0.0641278 -0.4441070 -1.5279743 60 O -2.5492268 -0.0772909 -0.3984528 0.3020365 -1.7074946 -0.4446098 -0.1293988 -0.5624070 -1.5183038 61 O -2.5344176 0.3594414 0.3287933 0.2877405 -1.8328397 -0.7138529 0.5187415 -0.8467150 -1.7120974 62 O -2.5087494 -0.1545558 0.2087227 0.1627588 -1.6648298 0.5406478 0.0641278 0.4441070 -1.5279743 63 O -2.0325476 -0.1832975 -0.3266929 -0.2540262 -1.9209385 -0.9879502 -0.3696953 -0.9532237 -2.1468095 64 O -2.5492268 0.0772909 -0.3984528 -0.3020365 -1.7074946 0.4446098 -0.1293988 0.5624070 -1.5183038 65 O -2.5344176 -0.3594414 0.3287933 -0.2877405 -1.8328397 0.7138529 0.5187415 0.8467150 -1.7120974 66 O -2.0325476 0.1832975 -0.3266929 0.2540262 -1.9209385 0.9879502 -0.3696953 0.9532237 -2.1468095 67 O -1.9905201 0.3545211 0.2071755 0.7009950 -2.4112030 0.7949800 0.1751889 0.6150125 -2.2096949 68 O -3.0232387 0.2079880 0.3064495 0.2244360 -0.8396616 -0.0962821 0.2534004 -0.2443595 -1.8799838 69 O -2.3621192 -0.4910045 0.0565314 -0.6346436 -1.7595278 -0.8025747 -0.1089633 -0.5713535 -2.1649673 70 O -1.9905201 -0.3545211 0.2071755 -0.7009950 -2.4112030 -0.7949800 0.1751889 -0.6150125 -2.2096949 71 O -3.0232387 -0.2079880 0.3064495 -0.2244360 -0.8396616 0.0962821 0.2534004 0.2443595 -1.8799838 72 O -2.3621192 0.4910045 0.0565314 0.6346436 -1.7595278 0.8025747 -0.1089633 0.5713535 -2.1649673 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (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 ... [ 4 4 10 ] 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: 0.46, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 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 1.525 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.171 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.668 ( 0.000 0.000 0.000) 0.000 9.724 ( 0.000 0.000 0.000) 0.000 9.801 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 11.949 ( 0.000 0.000 0.000) 0.000 12.026 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 12.649 ( 0.000 0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.257 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.768 ( 0.000 0.000 0.000) 0.000 14.215 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.313 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 17.381 ( 0.000 0.000 0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.546 ( 0.000 0.000 0.000) 0.000 17.758 ( 0.000 0.000 0.000) 0.000 17.841 ( 0.000 0.000 0.000) 0.000 17.926 ( 0.000 0.000 0.000) 0.000 17.962 ( 0.000 0.000 0.000) 0.000 18.273 ( 0.000 0.000 0.000) 0.000 18.372 ( 0.000 0.000 0.000) 0.000 18.462 ( 0.000 0.000 0.000) 0.000 18.559 ( 0.000 0.000 0.000) 0.000 18.766 ( 0.000 0.000 0.000) 0.000 18.779 ( 0.000 0.000 0.000) 0.000 18.798 ( 0.000 0.000 0.000) 0.000 18.964 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 19.767 ( 0.000 0.000 0.000) 0.000 19.918 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 19.970 ( 0.000 0.000 0.000) 0.000 20.278 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 20.327 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 20.563 ( 0.000 0.000 0.000) 0.000 20.663 ( 0.000 0.000 0.000) 0.000 20.731 ( 0.000 0.000 0.000) 0.000 20.925 ( 0.000 0.000 0.000) 0.000 21.022 ( 0.000 0.000 0.000) 0.000 21.176 ( 0.000 0.000 0.000) 0.000 21.370 ( 0.000 0.000 0.000) 0.000 24.467 ( 0.000 0.000 0.000) 0.000 24.486 ( 0.000 0.000 0.000) 0.000 24.570 ( 0.000 0.000 0.000) 0.000 24.602 ( 0.000 0.000 0.000) 0.000 24.970 ( 0.000 0.000 0.000) 0.000 24.994 ( 0.000 0.000 0.000) 0.000 25.079 ( 0.000 0.000 0.000) 0.000 25.106 ( 0.000 0.000 0.000) 0.000 28.465 ( 0.000 0.000 0.000) 0.000 28.485 ( 0.000 0.000 0.000) 0.000 28.546 ( 0.000 0.000 0.000) 0.000 28.582 ( 0.000 0.000 0.000) 0.000 28.615 ( 0.000 0.000 0.000) 0.000 28.621 ( 0.000 0.000 0.000) 0.000 28.681 ( 0.000 0.000 0.000) 0.000 28.691 ( 0.000 0.000 0.000) 0.000 35.268 ( 0.000 0.000 0.000) 0.000 35.383 ( 0.000 0.000 0.000) 0.000 35.648 ( 0.000 0.000 0.000) 0.000 35.688 ( 0.000 0.000 0.000) 0.000 36.242 ( 0.000 0.000 0.000) 0.000 36.580 ( 0.000 0.000 0.000) 0.000 36.618 ( 0.000 0.000 0.000) 0.000 37.316 ( 0.000 0.000 0.000) 0.000 37.550 ( 0.000 0.000 0.000) 0.000 37.635 ( 0.000 0.000 0.000) 0.000 37.900 ( 0.000 0.000 0.000) 0.000 38.055 ( 0.000 0.000 0.000) 0.000 38.147 ( 0.000 0.000 0.000) 0.000 38.333 ( 0.000 0.000 0.000) 0.000 38.361 ( 0.000 0.000 0.000) 0.000 38.578 ( 0.000 0.000 0.000) 0.000 38.866 ( 0.000 0.000 0.000) 0.000 38.961 ( 0.000 0.000 0.000) 0.000 39.061 ( 0.000 0.000 0.000) 0.000 39.076 ( 0.000 0.000 0.000) 0.000 39.255 ( 0.000 0.000 0.000) 0.000 39.318 ( 0.000 0.000 0.000) 0.000 39.391 ( 0.000 0.000 0.000) 0.000 39.447 ( 0.000 0.000 0.000) 0.000 39.462 ( 0.000 0.000 0.000) 0.000 39.536 ( 0.000 0.000 0.000) 0.000 39.585 ( 0.000 0.000 0.000) 0.000 39.713 ( 0.000 0.000 0.000) 0.000 40.156 ( 0.000 0.000 0.000) 0.000 40.278 ( 0.000 0.000 0.000) 0.000 40.442 ( 0.000 0.000 0.000) 0.000 41.419 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 21.839 0.000 14.903) 26.439 0.581 ( 25.791 0.000 18.643) 31.824 1.248 ( 58.612 0.000 -1.502) 58.632 1.385 ( -14.260 0.000 -7.743) 16.226 1.537 ( -10.238 0.000 -8.265) 13.158 1.653 ( 1.798 0.000 -2.937) 3.444 1.715 ( 8.925 0.000 -0.487) 8.938 1.719 ( -2.746 0.000 -2.825) 3.940 1.886 ( -0.899 0.000 1.038) 1.374 2.063 ( -3.358 0.000 -3.435) 4.804 2.098 ( 3.161 0.000 1.787) 3.631 2.204 ( 12.447 0.000 -0.183) 12.448 2.236 ( -1.841 0.000 2.492) 3.098 2.257 ( 1.103 0.000 3.164) 3.350 2.309 ( 3.102 0.000 3.703) 4.830 2.505 ( -5.184 0.000 -0.491) 5.207 2.576 ( -4.562 0.000 -2.095) 5.020 2.587 ( 0.610 0.000 -0.686) 0.918 2.626 ( -3.507 0.000 0.316) 3.521 2.813 ( 4.669 0.000 1.211) 4.824 2.859 ( -6.331 0.000 2.876) 6.954 3.033 ( 2.855 0.000 -2.688) 3.921 3.083 ( -0.346 0.000 -2.188) 2.215 3.157 ( 7.564 0.000 -2.286) 7.902 3.348 ( 0.035 0.000 0.375) 0.377 3.393 ( 0.595 0.000 2.498) 2.568 3.505 ( -3.549 0.000 4.343) 5.609 3.629 ( -8.947 0.000 0.482) 8.960 3.821 ( 0.287 0.000 -0.899) 0.944 3.902 ( -3.018 0.000 -1.278) 3.277 3.939 ( 4.603 0.000 1.595) 4.872 3.979 ( 3.574 0.000 -8.413) 9.140 4.037 ( -4.553 0.000 1.524) 4.801 4.186 ( 4.416 0.000 -2.098) 4.889 4.281 ( -3.205 0.000 0.811) 3.306 4.353 ( -4.355 0.000 -0.770) 4.423 4.463 ( 0.818 0.000 8.046) 8.088 4.465 ( -2.756 0.000 -1.321) 3.057 4.571 ( -7.976 0.000 3.354) 8.652 4.678 ( 9.490 0.000 -0.829) 9.526 4.897 ( 0.605 0.000 1.656) 1.763 4.910 ( 0.215 0.000 3.097) 3.105 5.026 ( -0.535 0.000 -0.613) 0.814 5.100 ( 1.525 0.000 -3.729) 4.029 5.166 ( -0.687 0.000 -1.907) 2.027 5.202 ( -1.471 0.000 9.096) 9.214 5.346 ( 7.184 0.000 1.638) 7.369 5.403 ( 7.015 0.000 -3.029) 7.641 5.438 ( -2.334 0.000 -1.481) 2.764 5.507 ( 3.409 0.000 0.153) 3.412 5.667 ( -1.060 0.000 0.986) 1.448 5.679 ( -1.583 0.000 -3.357) 3.712 5.695 ( -1.052 0.000 -0.266) 1.086 5.767 ( 3.076 0.000 3.142) 4.397 5.774 ( -1.927 0.000 -0.829) 2.098 6.048 ( -1.153 0.000 -3.996) 4.159 6.122 ( -6.595 0.000 3.448) 7.442 6.286 ( -5.825 0.000 -4.994) 7.673 6.308 ( 1.606 0.000 -5.579) 5.806 6.406 ( 0.919 0.000 5.252) 5.332 6.430 ( -8.879 0.000 -1.126) 8.950 6.505 ( 0.823 0.000 -5.489) 5.550 6.664 ( -10.250 0.000 2.108) 10.465 6.739 ( 2.725 0.000 6.624) 7.163 6.924 ( -9.109 0.000 -1.053) 9.170 7.029 ( 2.135 0.000 2.826) 3.542 7.066 ( -1.073 0.000 0.609) 1.234 7.113 ( -1.731 0.000 7.579) 7.774 7.191 ( 2.010 0.000 1.020) 2.254 7.312 ( -6.741 0.000 0.182) 6.743 7.362 ( 10.254 0.000 1.143) 10.318 7.489 ( -1.980 0.000 -1.724) 2.625 7.614 ( -2.962 0.000 -4.867) 5.697 7.661 ( -1.926 0.000 -0.732) 2.060 7.765 ( -1.061 0.000 6.420) 6.507 7.834 ( 8.840 0.000 0.287) 8.845 7.977 ( -0.148 0.000 -1.064) 1.074 8.044 ( 3.275 0.000 -1.124) 3.463 8.206 ( -5.246 0.000 5.373) 7.509 8.282 ( 0.327 0.000 0.592) 0.676 8.318 ( 12.259 0.000 -0.665) 12.277 8.396 ( -1.112 0.000 1.626) 1.970 8.622 ( 8.054 0.000 -11.344) 13.912 8.633 ( 7.610 0.000 4.936) 9.070 8.794 ( 1.425 0.000 -1.795) 2.292 8.802 ( -5.305 0.000 0.208) 5.309 8.826 ( 0.297 0.000 2.595) 2.612 8.864 ( 2.401 0.000 -0.383) 2.431 8.910 ( -1.065 0.000 -4.822) 4.938 8.937 ( -1.715 0.000 -0.208) 1.727 9.007 ( -2.738 0.000 1.084) 2.945 9.108 ( -3.000 0.000 -1.259) 3.254 9.169 ( -0.053 0.000 1.716) 1.717 9.302 ( -6.980 0.000 -0.431) 6.993 9.638 ( 11.727 0.000 -4.172) 12.447 9.765 ( 3.244 0.000 1.232) 3.470 9.770 ( -2.321 0.000 -0.896) 2.488 9.834 ( 2.172 0.000 -4.115) 4.653 9.858 ( -0.642 0.000 -1.940) 2.043 9.965 ( -2.357 0.000 3.478) 4.201 10.056 ( -6.591 0.000 2.447) 7.031 10.099 ( -7.238 0.000 -1.459) 7.384 10.350 ( 3.740 0.000 1.535) 4.043 10.600 ( -3.683 0.000 -3.716) 5.232 11.406 ( -0.772 0.000 -1.925) 2.074 11.484 ( 0.902 0.000 1.308) 1.589 11.615 ( -0.860 0.000 2.542) 2.683 11.796 ( 4.031 0.000 -3.956) 5.648 11.862 ( -1.401 0.000 0.402) 1.457 11.931 ( 1.105 0.000 -0.239) 1.131 11.944 ( -0.011 0.000 -1.037) 1.037 12.032 ( 0.436 0.000 0.642) 0.776 12.065 ( 1.269 0.000 -1.880) 2.268 12.076 ( 3.059 0.000 0.288) 3.072 12.267 ( -1.209 0.000 -1.364) 1.822 12.313 ( -0.563 0.000 1.960) 2.040 12.619 ( -1.071 0.000 2.075) 2.335 12.640 ( -0.788 0.000 -0.492) 0.929 12.762 ( 1.845 0.000 1.353) 2.288 12.927 ( -2.290 0.000 -3.206) 3.940 12.994 ( -3.010 0.000 12.867) 13.214 13.044 ( 4.688 0.000 1.852) 5.040 13.049 ( -1.415 0.000 -2.614) 2.972 13.237 ( -1.915 0.000 -1.163) 2.240 13.651 ( -0.522 0.000 1.646) 1.727 13.693 ( -2.533 0.000 1.371) 2.881 13.753 ( 1.178 0.000 4.713) 4.858 13.819 ( 3.574 0.000 0.455) 3.603 14.166 ( -3.099 0.000 -0.982) 3.251 14.224 ( -5.665 0.000 0.006) 5.665 14.343 ( -7.933 0.000 2.163) 8.223 14.445 ( 1.518 0.000 -3.025) 3.384 14.553 ( 0.592 0.000 0.679) 0.901 14.573 ( 4.221 0.000 -0.936) 4.324 14.735 ( 0.841 0.000 5.077) 5.146 14.797 ( 3.687 0.000 -0.473) 3.717 17.434 ( -1.566 0.000 -0.504) 1.645 17.481 ( -0.030 0.000 0.023) 0.038 17.509 ( -3.566 0.000 1.563) 3.894 17.616 ( 2.179 0.000 -10.058) 10.291 17.803 ( -2.614 0.000 -0.575) 2.676 17.829 ( 6.167 0.000 -1.552) 6.360 17.962 ( 3.007 0.000 -2.548) 3.941 18.151 ( 3.915 0.000 -7.703) 8.641 18.356 ( -1.939 0.000 1.004) 2.183 18.432 ( -2.339 0.000 1.117) 2.592 18.462 ( 2.201 0.000 -5.864) 6.264 18.546 ( -1.146 0.000 -0.565) 1.278 18.761 ( 0.143 0.000 -0.130) 0.193 18.834 ( 2.159 0.000 0.418) 2.199 18.972 ( 0.175 0.000 2.449) 2.455 19.026 ( 0.765 0.000 -6.619) 6.663 19.392 ( -0.441 0.000 -0.250) 0.506 19.765 ( -0.199 0.000 -0.031) 0.201 19.919 ( 0.035 0.000 0.206) 0.209 19.965 ( -0.025 0.000 0.025) 0.035 19.993 ( 0.520 0.000 -0.186) 0.553 20.295 ( 0.863 0.000 -3.563) 3.666 20.313 ( -0.462 0.000 4.512) 4.536 20.351 ( 2.010 0.000 -0.264) 2.027 20.504 ( 0.001 0.000 0.003) 0.003 20.555 ( -1.059 0.000 1.577) 1.900 20.665 ( 0.232 0.000 -0.387) 0.451 20.750 ( 1.930 0.000 -0.155) 1.936 20.887 ( -3.477 0.000 0.216) 3.484 21.014 ( -0.722 0.000 0.304) 0.783 21.178 ( 0.147 0.000 -0.023) 0.148 21.364 ( -0.411 0.000 -0.149) 0.437 24.483 ( -0.300 0.000 0.870) 0.921 24.516 ( 0.336 0.000 1.785) 1.817 24.563 ( -0.613 0.000 0.446) 0.758 24.602 ( -0.048 0.000 -0.057) 0.075 24.967 ( -0.258 0.000 -0.007) 0.258 25.024 ( -0.844 0.000 3.866) 3.957 25.061 ( -0.952 0.000 0.161) 0.965 25.131 ( 1.512 0.000 -0.425) 1.571 28.497 ( 2.708 0.000 0.677) 2.791 28.519 ( 1.748 0.000 -1.879) 2.566 28.541 ( -0.433 0.000 1.099) 1.182 28.569 ( -1.060 0.000 -0.791) 1.323 28.610 ( -0.982 0.000 -0.176) 0.998 28.623 ( 0.778 0.000 -0.428) 0.888 28.654 ( -2.599 0.000 -0.044) 2.600 28.701 ( 0.650 0.000 0.258) 0.699 35.249 ( -1.069 0.000 0.051) 1.070 35.439 ( 4.135 0.000 -0.516) 4.167 35.746 ( 4.989 0.000 -0.240) 4.995 36.244 ( 0.291 0.000 -0.634) 0.698 36.519 ( -6.748 0.000 -3.493) 7.599 36.559 ( -1.984 0.000 1.255) 2.347 36.936 ( 7.222 0.000 -19.533) 20.825 37.543 ( -0.581 0.000 0.191) 0.612 37.607 ( 8.960 0.000 -41.365) 42.325 37.635 ( 1.620 0.000 -8.139) 8.299 37.901 ( 0.279 0.000 -0.794) 0.841 38.060 ( 0.279 0.000 0.455) 0.534 38.142 ( -0.386 0.000 -0.109) 0.401 38.334 ( 0.087 0.000 -0.124) 0.151 38.367 ( 0.306 0.000 0.433) 0.530 38.575 ( -0.217 0.000 0.062) 0.226 38.890 ( 2.057 0.000 1.325) 2.447 38.957 ( -0.165 0.000 -0.650) 0.671 39.040 ( -2.885 0.000 -2.740) 3.979 39.168 ( 2.689 0.000 -7.367) 7.842 39.220 ( -3.106 0.000 4.493) 5.462 39.288 ( -0.952 0.000 -2.723) 2.884 39.412 ( 1.517 0.000 2.809) 3.192 39.509 ( 2.978 0.000 -1.083) 3.169 39.550 ( -2.387 0.000 -4.393) 5.000 39.558 ( 2.562 0.000 0.085) 2.564 39.718 ( 0.277 0.000 0.438) 0.518 40.064 ( 0.933 0.000 -5.207) 5.290 40.270 ( -0.738 0.000 0.225) 0.771 40.457 ( 1.210 0.000 -0.215) 1.229 41.286 ( -5.502 0.000 26.284) 26.853 41.473 ( -4.274 0.000 19.703) 20.161 ======================= Grid point 2 (3/66) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.000 0.000 -0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.135 ( -0.000 0.000 -0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 -0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.944 ( -0.000 0.000 -0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.173 ( -0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 -0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 -0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.483 ( -0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.255 ( -0.000 0.000 -0.000) 0.000 3.323 ( -0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 -0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.049 ( -0.000 0.000 -0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 -0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 -0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 -0.000) 0.000 6.399 ( 0.000 0.000 -0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 -0.000) 0.000 7.508 ( -0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 -0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 -0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 -0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 -0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 8.848 ( -0.000 0.000 0.000) 0.000 8.895 ( 0.000 0.000 -0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 -0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 9.878 ( -0.000 0.000 0.000) 0.000 9.913 ( -0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 -0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 9.948 ( -0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.496 ( 0.000 0.000 0.000) 0.000 11.613 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.040 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 -0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.307 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 -0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 -0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 -0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.178 ( -0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.869 ( 0.000 0.000 0.000) 0.000 14.129 ( 0.000 0.000 -0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.243 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 17.422 ( 0.000 0.000 -0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000 17.616 ( 0.000 0.000 0.000) 0.000 17.771 ( 0.000 0.000 0.000) 0.000 17.909 ( 0.000 0.000 0.000) 0.000 17.985 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.327 ( 0.000 0.000 -0.000) 0.000 18.410 ( 0.000 0.000 0.000) 0.000 18.482 ( 0.000 0.000 -0.000) 0.000 18.523 ( 0.000 0.000 0.000) 0.000 18.765 ( 0.000 0.000 0.000) 0.000 18.859 ( 0.000 0.000 0.000) 0.000 18.982 ( 0.000 0.000 0.000) 0.000 19.017 ( 0.000 0.000 0.000) 0.000 19.386 ( 0.000 0.000 0.000) 0.000 19.762 ( 0.000 0.000 0.000) 0.000 19.920 ( 0.000 0.000 0.000) 0.000 19.965 ( 0.000 0.000 -0.000) 0.000 19.999 ( 0.000 0.000 0.000) 0.000 20.298 ( 0.000 0.000 0.000) 0.000 20.317 ( 0.000 0.000 -0.000) 0.000 20.376 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 20.546 ( 0.000 0.000 0.000) 0.000 20.667 ( 0.000 0.000 0.000) 0.000 20.794 ( 0.000 0.000 0.000) 0.000 20.823 ( 0.000 0.000 0.000) 0.000 21.006 ( 0.000 0.000 0.000) 0.000 21.179 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 24.483 ( 0.000 0.000 0.000) 0.000 24.524 ( 0.000 0.000 0.000) 0.000 24.557 ( 0.000 0.000 0.000) 0.000 24.601 ( 0.000 0.000 0.000) 0.000 24.964 ( 0.000 0.000 0.000) 0.000 25.024 ( 0.000 0.000 0.000) 0.000 25.051 ( 0.000 0.000 0.000) 0.000 25.146 ( 0.000 0.000 0.000) 0.000 28.530 ( 0.000 0.000 0.000) 0.000 28.546 ( 0.000 0.000 0.000) 0.000 28.547 ( -0.000 0.000 -0.000) 0.000 28.561 ( -0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 28.601 ( 0.000 0.000 -0.000) 0.000 28.632 ( 0.000 0.000 0.000) 0.000 28.709 ( 0.000 0.000 0.000) 0.000 35.238 ( 0.000 0.000 0.000) 0.000 35.487 ( 0.000 0.000 0.000) 0.000 35.814 ( 0.000 0.000 0.000) 0.000 36.246 ( 0.000 0.000 -0.000) 0.000 36.424 ( 0.000 0.000 0.000) 0.000 36.537 ( 0.000 0.000 -0.000) 0.000 36.968 ( 0.000 0.000 0.000) 0.000 37.536 ( 0.000 0.000 0.000) 0.000 37.609 ( 0.000 0.000 0.000) 0.000 37.633 ( 0.000 0.000 -0.000) 0.000 37.903 ( 0.000 0.000 0.000) 0.000 38.065 ( 0.000 0.000 0.000) 0.000 38.137 ( 0.000 0.000 0.000) 0.000 38.335 ( 0.000 0.000 0.000) 0.000 38.371 ( 0.000 0.000 0.000) 0.000 38.573 ( 0.000 0.000 0.000) 0.000 38.941 ( -0.000 0.000 -0.000) 0.000 38.954 ( 0.000 0.000 0.000) 0.000 38.974 ( 0.000 0.000 0.000) 0.000 39.182 ( 0.000 0.000 0.000) 0.000 39.200 ( 0.000 0.000 -0.000) 0.000 39.271 ( 0.000 0.000 0.000) 0.000 39.469 ( -0.000 0.000 -0.000) 0.000 39.478 ( 0.000 0.000 0.000) 0.000 39.529 ( 0.000 0.000 0.000) 0.000 39.597 ( 0.000 0.000 0.000) 0.000 39.723 ( 0.000 0.000 0.000) 0.000 40.062 ( 0.000 0.000 0.000) 0.000 40.261 ( 0.000 0.000 0.000) 0.000 40.471 ( 0.000 0.000 0.000) 0.000 41.287 ( 0.000 0.000 -0.000) 0.000 41.473 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/66) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.000 20.968 0.000) 20.968 0.574 ( 0.000 25.227 0.000) 25.227 1.005 ( 0.000 40.711 0.000) 40.711 1.315 ( 0.000 -13.847 0.000) 13.847 1.545 ( 0.000 1.273 0.000) 1.273 1.604 ( 0.000 -16.850 0.000) 16.850 1.666 ( 0.000 -3.677 0.000) 3.677 1.764 ( 0.000 5.052 0.000) 5.052 1.813 ( 0.000 -1.267 0.000) 1.267 2.043 ( 0.000 -0.907 0.000) 0.907 2.124 ( 0.000 2.862 0.000) 2.862 2.126 ( 0.000 -0.475 0.000) 0.475 2.205 ( 0.000 -3.288 0.000) 3.288 2.249 ( 0.000 3.195 0.000) 3.195 2.347 ( 0.000 1.266 0.000) 1.266 2.481 ( 0.000 -8.670 0.000) 8.670 2.561 ( 0.000 -11.614 0.000) 11.614 2.575 ( 0.000 -4.951 0.000) 4.951 2.639 ( 0.000 -2.631 0.000) 2.631 2.772 ( 0.000 5.770 0.000) 5.770 2.813 ( 0.000 -3.598 0.000) 3.598 3.047 ( 0.000 -2.812 0.000) 2.812 3.244 ( 0.000 9.486 0.000) 9.486 3.271 ( 0.000 4.301 0.000) 4.301 3.377 ( 0.000 1.070 0.000) 1.070 3.390 ( 0.000 4.018 0.000) 4.018 3.778 ( 0.000 0.849 0.000) 0.849 3.835 ( 0.000 -2.822 0.000) 2.822 3.843 ( 0.000 3.429 0.000) 3.429 3.918 ( 0.000 9.308 0.000) 9.308 3.990 ( 0.000 -2.078 0.000) 2.078 4.074 ( 0.000 2.357 0.000) 2.357 4.081 ( 0.000 -0.620 0.000) 0.620 4.103 ( 0.000 -1.146 0.000) 1.146 4.239 ( 0.000 5.443 0.000) 5.443 4.300 ( 0.000 -0.320 0.000) 0.320 4.471 ( 0.000 1.938 0.000) 1.938 4.590 ( 0.000 0.746 0.000) 0.746 4.658 ( 0.000 2.471 0.000) 2.471 4.674 ( 0.000 -0.725 0.000) 0.725 4.806 ( 0.000 -5.999 0.000) 5.999 4.936 ( 0.000 1.324 0.000) 1.324 4.995 ( 0.000 -4.619 0.000) 4.619 5.013 ( 0.000 -4.121 0.000) 4.121 5.101 ( 0.000 1.595 0.000) 1.595 5.111 ( 0.000 1.437 0.000) 1.437 5.218 ( 0.000 -1.806 0.000) 1.806 5.231 ( 0.000 -7.143 0.000) 7.143 5.356 ( 0.000 -2.381 0.000) 2.381 5.551 ( 0.000 2.022 0.000) 2.022 5.649 ( 0.000 3.538 0.000) 3.538 5.712 ( 0.000 1.358 0.000) 1.358 5.774 ( 0.000 2.793 0.000) 2.793 5.780 ( 0.000 -1.110 0.000) 1.110 6.056 ( 0.000 1.119 0.000) 1.119 6.125 ( 0.000 2.853 0.000) 2.853 6.184 ( 0.000 1.046 0.000) 1.046 6.270 ( 0.000 2.395 0.000) 2.395 6.378 ( 0.000 -2.157 0.000) 2.157 6.431 ( 0.000 0.334 0.000) 0.334 6.529 ( 0.000 5.359 0.000) 5.359 6.552 ( 0.000 -0.913 0.000) 0.913 6.751 ( 0.000 0.248 0.000) 0.248 6.814 ( 0.000 -6.458 0.000) 6.458 6.925 ( 0.000 -0.484 0.000) 0.484 7.085 ( 0.000 -3.970 0.000) 3.970 7.102 ( 0.000 1.358 0.000) 1.358 7.130 ( 0.000 12.170 0.000) 12.170 7.186 ( 0.000 -3.697 0.000) 3.697 7.335 ( 0.000 3.085 0.000) 3.085 7.364 ( 0.000 -1.524 0.000) 1.524 7.582 ( 0.000 -1.926 0.000) 1.926 7.588 ( 0.000 10.162 0.000) 10.162 7.681 ( 0.000 1.243 0.000) 1.243 7.761 ( 0.000 -1.625 0.000) 1.625 7.763 ( 0.000 1.434 0.000) 1.434 7.840 ( 0.000 -1.362 0.000) 1.362 8.024 ( 0.000 0.265 0.000) 0.265 8.235 ( 0.000 5.859 0.000) 5.859 8.255 ( 0.000 -0.201 0.000) 0.201 8.311 ( 0.000 2.254 0.000) 2.254 8.386 ( 0.000 -1.922 0.000) 1.922 8.475 ( 0.000 -1.517 0.000) 1.517 8.502 ( 0.000 0.733 0.000) 0.733 8.684 ( 0.000 -7.456 0.000) 7.456 8.751 ( 0.000 -4.464 0.000) 4.464 8.790 ( 0.000 -2.064 0.000) 2.064 8.843 ( 0.000 1.386 0.000) 1.386 8.850 ( 0.000 -1.722 0.000) 1.722 8.993 ( 0.000 -2.573 0.000) 2.573 9.034 ( 0.000 4.500 0.000) 4.500 9.076 ( 0.000 0.816 0.000) 0.816 9.233 ( 0.000 2.803 0.000) 2.803 9.453 ( 0.000 4.898 0.000) 4.898 9.503 ( 0.000 4.114 0.000) 4.114 9.550 ( 0.000 -7.878 0.000) 7.878 9.697 ( 0.000 -2.809 0.000) 2.809 9.800 ( 0.000 -0.044 0.000) 0.044 9.846 ( 0.000 0.206 0.000) 0.206 9.955 ( 0.000 -2.138 0.000) 2.138 10.009 ( 0.000 -8.260 0.000) 8.260 10.116 ( 0.000 -6.444 0.000) 6.444 10.297 ( 0.000 2.137 0.000) 2.137 10.333 ( 0.000 1.403 0.000) 1.403 11.391 ( 0.000 -2.009 0.000) 2.009 11.407 ( 0.000 -2.695 0.000) 2.695 11.695 ( 0.000 4.975 0.000) 4.975 11.806 ( 0.000 2.906 0.000) 2.906 11.876 ( 0.000 -0.894 0.000) 0.894 11.880 ( 0.000 -1.320 0.000) 1.320 11.996 ( 0.000 -1.882 0.000) 1.882 12.013 ( 0.000 -1.115 0.000) 1.115 12.105 ( 0.000 2.666 0.000) 2.666 12.150 ( 0.000 0.530 0.000) 0.530 12.374 ( 0.000 5.622 0.000) 5.622 12.597 ( 0.000 -2.428 0.000) 2.428 12.627 ( 0.000 -1.358 0.000) 1.358 12.672 ( 0.000 -2.087 0.000) 2.087 12.870 ( 0.000 0.394 0.000) 0.394 12.942 ( 0.000 -2.500 0.000) 2.500 12.993 ( 0.000 1.830 0.000) 1.830 13.054 ( 0.000 -1.071 0.000) 1.071 13.279 ( 0.000 1.787 0.000) 1.787 13.311 ( 0.000 1.838 0.000) 1.838 13.650 ( 0.000 -0.376 0.000) 0.376 13.671 ( 0.000 2.016 0.000) 2.016 13.718 ( 0.000 -0.523 0.000) 0.523 13.814 ( 0.000 -1.284 0.000) 1.284 14.218 ( 0.000 0.313 0.000) 0.313 14.256 ( 0.000 -1.486 0.000) 1.486 14.351 ( 0.000 2.204 0.000) 2.204 14.416 ( 0.000 0.094 0.000) 0.094 14.508 ( 0.000 -1.746 0.000) 1.746 14.513 ( 0.000 -2.810 0.000) 2.810 14.664 ( 0.000 2.525 0.000) 2.525 14.749 ( 0.000 -0.251 0.000) 0.251 17.387 ( 0.000 0.599 0.000) 0.599 17.436 ( 0.000 -1.488 0.000) 1.488 17.507 ( 0.000 1.231 0.000) 1.231 17.542 ( 0.000 -0.370 0.000) 0.370 17.760 ( 0.000 0.281 0.000) 0.281 17.812 ( 0.000 -1.892 0.000) 1.892 17.948 ( 0.000 1.218 0.000) 1.218 17.967 ( 0.000 0.321 0.000) 0.321 18.286 ( 0.000 1.219 0.000) 1.219 18.378 ( 0.000 -1.897 0.000) 1.897 18.475 ( 0.000 1.180 0.000) 1.180 18.554 ( 0.000 -0.795 0.000) 0.795 18.749 ( 0.000 -0.479 0.000) 0.479 18.814 ( 0.000 2.032 0.000) 2.032 18.831 ( 0.000 -4.318 0.000) 4.318 18.907 ( 0.000 -2.525 0.000) 2.525 19.705 ( 0.000 8.733 0.000) 8.733 19.922 ( 0.000 0.205 0.000) 0.205 19.962 ( 0.000 -0.275 0.000) 0.275 19.969 ( 0.000 -0.178 0.000) 0.178 20.024 ( 0.000 -0.200 0.000) 0.200 20.149 ( 0.000 -6.753 0.000) 6.753 20.316 ( 0.000 1.283 0.000) 1.283 20.412 ( 0.000 -0.286 0.000) 0.286 20.464 ( 0.000 2.194 0.000) 2.194 20.634 ( 0.000 -2.518 0.000) 2.518 20.652 ( 0.000 5.242 0.000) 5.242 20.857 ( 0.000 -2.805 0.000) 2.805 21.037 ( 0.000 1.313 0.000) 1.313 21.132 ( 0.000 -2.519 0.000) 2.519 21.263 ( 0.000 2.602 0.000) 2.602 21.356 ( 0.000 -1.208 0.000) 1.208 24.468 ( 0.000 0.077 0.000) 0.077 24.481 ( 0.000 -0.396 0.000) 0.396 24.576 ( 0.000 0.489 0.000) 0.489 24.600 ( 0.000 -0.361 0.000) 0.361 24.971 ( 0.000 0.084 0.000) 0.084 24.987 ( 0.000 -0.520 0.000) 0.520 25.086 ( 0.000 0.560 0.000) 0.560 25.107 ( 0.000 -0.198 0.000) 0.198 28.467 ( 0.000 0.190 0.000) 0.190 28.482 ( 0.000 -0.307 0.000) 0.307 28.559 ( 0.000 -0.042 0.000) 0.042 28.569 ( 0.000 -0.668 0.000) 0.668 28.622 ( 0.000 0.655 0.000) 0.655 28.644 ( 0.000 1.466 0.000) 1.466 28.667 ( 0.000 -1.004 0.000) 1.004 28.693 ( 0.000 -0.454 0.000) 0.454 35.297 ( 0.000 2.509 0.000) 2.509 35.445 ( 0.000 -2.418 0.000) 2.418 35.648 ( 0.000 -0.015 0.000) 0.015 35.672 ( 0.000 -1.161 0.000) 1.161 36.247 ( 0.000 0.564 0.000) 0.564 36.387 ( 0.000 -7.644 0.000) 7.644 36.918 ( 0.000 12.177 0.000) 12.177 37.271 ( 0.000 -3.932 0.000) 3.932 37.580 ( 0.000 0.769 0.000) 0.769 37.626 ( 0.000 -0.773 0.000) 0.773 37.928 ( 0.000 2.516 0.000) 2.516 38.103 ( 0.000 -3.636 0.000) 3.636 38.182 ( 0.000 1.766 0.000) 1.766 38.324 ( 0.000 -2.886 0.000) 2.886 38.442 ( 0.000 8.490 0.000) 8.490 38.636 ( 0.000 4.612 0.000) 4.612 38.891 ( 0.000 -5.117 0.000) 5.117 38.918 ( 0.000 -9.403 0.000) 9.403 39.086 ( 0.000 1.306 0.000) 1.306 39.114 ( 0.000 0.646 0.000) 0.646 39.302 ( 0.000 1.158 0.000) 1.158 39.388 ( 0.000 -2.873 0.000) 2.873 39.418 ( 0.000 2.967 0.000) 2.967 39.461 ( 0.000 3.657 0.000) 3.657 39.499 ( 0.000 0.910 0.000) 0.910 39.529 ( 0.000 -0.573 0.000) 0.573 39.659 ( 0.000 7.878 0.000) 7.878 40.118 ( 0.000 -5.537 0.000) 5.537 40.277 ( 0.000 1.695 0.000) 1.695 40.409 ( 0.000 -2.465 0.000) 2.465 40.725 ( 0.000 5.381 0.000) 5.381 41.254 ( 0.000 -13.295 0.000) 13.295 ======================= Grid point 6 (5/66) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 13.899 14.808 13.765) 24.534 0.948 ( 19.477 19.349 -0.514) 27.459 1.374 ( 8.650 -4.144 3.958) 10.376 1.417 ( -6.467 -2.273 -4.346) 8.116 1.461 ( 25.389 13.499 -2.147) 28.835 1.626 ( -0.483 -0.143 -3.749) 3.782 1.721 ( 2.396 -7.989 0.033) 8.341 1.723 ( 5.184 -0.560 -1.656) 5.471 1.811 ( 0.033 0.560 0.276) 0.625 1.968 ( -3.819 -1.278 -2.415) 4.696 2.157 ( 0.697 -4.035 1.731) 4.445 2.199 ( 5.717 -0.347 -1.086) 5.829 2.222 ( -1.350 1.534 0.399) 2.082 2.290 ( 4.367 0.015 -0.813) 4.442 2.333 ( 1.384 2.212 1.236) 2.888 2.442 ( -2.335 -7.107 -0.662) 7.510 2.520 ( -5.080 -3.318 1.726) 6.308 2.585 ( 0.907 -0.737 -0.422) 1.242 2.608 ( -4.239 -0.526 1.977) 4.707 2.765 ( 4.041 -4.324 0.651) 5.954 2.899 ( 5.146 -1.321 -1.185) 5.443 2.993 ( -7.331 -1.654 -3.042) 8.107 3.098 ( -0.638 2.736 -1.575) 3.221 3.341 ( -2.725 3.146 -0.222) 4.167 3.375 ( 2.839 5.189 -0.618) 5.947 3.431 ( 2.623 2.416 1.724) 3.961 3.671 ( -7.693 10.976 5.438) 14.465 3.768 ( -4.182 4.410 -5.512) 8.205 3.844 ( -1.865 -0.756 0.286) 2.033 3.871 ( 2.961 7.011 -0.373) 7.620 3.963 ( -0.979 4.754 -1.915) 5.217 4.061 ( -3.948 0.210 -1.181) 4.126 4.102 ( 3.423 0.405 -0.600) 3.498 4.133 ( 3.498 1.584 -3.559) 5.235 4.218 ( -1.638 -0.957 2.493) 3.133 4.428 ( -3.882 2.795 -2.248) 5.286 4.442 ( 4.733 -0.022 3.101) 5.659 4.536 ( -6.390 4.850 3.650) 8.814 4.607 ( -8.206 2.182 1.308) 8.591 4.681 ( 6.613 -0.925 1.063) 6.761 4.872 ( -1.002 1.491 1.728) 2.493 4.875 ( 5.821 -5.935 1.812) 8.508 4.988 ( 1.082 -5.184 4.551) 6.983 5.059 ( -0.988 -3.750 5.148) 6.445 5.102 ( -0.069 1.347 -4.991) 5.170 5.133 ( -0.475 -1.300 -0.243) 1.405 5.296 ( 6.414 -5.801 -1.126) 8.721 5.331 ( 7.058 -4.003 -0.496) 8.129 5.431 ( 6.462 2.333 0.529) 6.890 5.589 ( -5.620 -0.152 -1.208) 5.750 5.658 ( -4.286 -1.638 1.350) 4.783 5.671 ( 6.761 -3.846 1.857) 7.997 5.732 ( -2.515 1.715 -2.207) 3.760 5.767 ( -0.406 4.755 0.247) 4.778 5.963 ( -5.731 8.819 -4.431) 11.413 6.107 ( -0.457 5.474 -5.408) 7.709 6.154 ( -7.300 0.953 4.516) 8.637 6.239 ( -0.066 -0.261 -6.392) 6.398 6.350 ( -0.831 1.751 3.046) 3.610 6.400 ( -0.572 1.463 -4.833) 5.082 6.436 ( -5.102 4.044 4.719) 8.041 6.510 ( 1.009 -1.219 -3.502) 3.842 6.576 ( -15.575 -3.788 0.315) 16.032 6.768 ( -2.279 -0.805 0.235) 2.428 6.892 ( -4.989 -8.062 1.870) 9.664 7.040 ( -2.989 0.466 -3.208) 4.409 7.057 ( 2.969 2.692 4.321) 5.893 7.137 ( -1.488 2.965 6.487) 7.286 7.230 ( 2.735 -2.458 -0.337) 3.693 7.313 ( -0.795 4.511 2.653) 5.293 7.405 ( -4.655 -0.771 -4.108) 6.256 7.510 ( 4.452 3.218 -3.103) 6.309 7.588 ( -0.968 1.548 -0.152) 1.832 7.742 ( -1.758 1.973 3.359) 4.274 7.767 ( 2.647 1.859 -2.347) 3.996 7.844 ( 2.870 -0.877 4.934) 5.775 7.944 ( 7.835 -0.647 -0.371) 7.870 8.097 ( 0.665 6.348 -1.554) 6.569 8.239 ( 7.084 -4.931 -2.500) 8.986 8.246 ( -1.004 2.021 0.813) 2.398 8.312 ( -0.319 2.253 0.207) 2.285 8.392 ( -0.957 -1.473 3.482) 3.900 8.484 ( 3.395 -1.894 -4.325) 5.815 8.601 ( 2.303 -4.822 0.906) 5.420 8.677 ( -3.615 -8.240 1.484) 9.120 8.771 ( 4.241 -0.946 -2.014) 4.790 8.839 ( 2.275 -4.123 2.969) 5.567 8.868 ( 1.537 -0.493 1.054) 1.928 8.894 ( 4.693 2.200 1.153) 5.310 8.993 ( -1.493 4.727 1.202) 5.101 9.065 ( -0.320 2.475 -0.914) 2.658 9.168 ( 2.655 1.008 -4.621) 5.424 9.253 ( 1.707 4.398 0.808) 4.786 9.337 ( -3.357 5.075 3.261) 6.904 9.541 ( 2.197 -7.813 0.983) 8.176 9.637 ( 6.589 -4.457 -3.442) 8.668 9.720 ( 0.382 -6.102 -1.534) 6.303 9.794 ( 0.043 -1.690 -0.325) 1.721 9.808 ( -1.902 -2.513 -4.691) 5.651 9.922 ( -2.869 -1.625 4.516) 5.592 9.955 ( -3.325 -5.408 -2.262) 6.739 10.084 ( -4.964 -4.195 0.266) 6.505 10.348 ( 1.651 -1.141 2.263) 3.025 10.381 ( 4.895 -4.111 0.449) 6.408 11.382 ( -0.331 -1.220 -0.639) 1.417 11.420 ( 0.682 -3.213 0.503) 3.323 11.720 ( 1.559 6.149 2.049) 6.666 11.826 ( 2.148 1.651 -2.098) 3.426 11.845 ( -1.339 -0.223 -0.148) 1.366 11.905 ( 1.057 -1.624 -0.378) 1.975 12.012 ( 1.504 -1.457 -1.757) 2.734 12.019 ( 0.751 -1.112 -1.078) 1.721 12.094 ( -2.445 2.815 2.694) 4.601 12.141 ( 0.683 1.366 -3.581) 3.893 12.379 ( 0.678 6.888 0.681) 6.955 12.557 ( -6.948 4.438 -0.738) 8.278 12.609 ( -0.945 0.891 -5.011) 5.177 12.638 ( -2.048 1.888 1.031) 2.970 12.781 ( -1.533 3.220 -1.809) 3.999 12.930 ( -2.305 -0.548 -2.544) 3.477 12.992 ( -0.850 -0.414 3.797) 3.913 13.030 ( 1.322 -1.049 3.417) 3.811 13.109 ( -6.326 5.794 3.183) 9.149 13.242 ( -3.478 0.267 -1.277) 3.715 13.617 ( -0.943 -1.539 1.684) 2.468 13.674 ( -2.603 -1.951 1.656) 3.650 13.767 ( 2.802 1.349 2.240) 3.833 13.826 ( 1.985 -0.070 1.401) 2.431 14.178 ( -2.231 1.422 -0.072) 2.646 14.236 ( -5.906 0.625 1.138) 6.047 14.320 ( -7.386 -1.770 2.583) 8.022 14.373 ( 0.338 -4.736 2.041) 5.168 14.540 ( 4.182 0.188 -1.436) 4.425 14.585 ( 4.347 -0.143 -1.871) 4.735 14.722 ( 2.845 0.452 2.116) 3.574 14.795 ( 3.146 -0.688 -0.059) 3.221 17.438 ( -0.578 0.326 -0.654) 0.932 17.470 ( -0.166 -0.808 0.505) 0.967 17.497 ( -3.130 -0.922 0.517) 3.304 17.527 ( 5.825 -4.413 -6.916) 10.062 17.807 ( -1.105 0.547 -0.693) 1.414 17.828 ( 5.462 -0.148 -1.367) 5.632 17.967 ( 2.389 0.310 -2.213) 3.271 18.046 ( 5.868 -4.969 -2.554) 8.102 18.339 ( 3.126 0.240 1.095) 3.321 18.402 ( 1.968 -1.968 0.848) 2.909 18.442 ( -3.078 1.141 1.169) 3.485 18.542 ( -0.998 -0.885 -0.487) 1.420 18.751 ( -0.436 -1.476 0.168) 1.549 18.777 ( -0.296 -2.781 -0.938) 2.950 18.871 ( 1.256 -2.463 0.440) 2.800 18.920 ( 1.046 -2.783 -0.172) 2.978 19.681 ( -1.900 11.626 -0.623) 11.796 19.881 ( -3.909 2.479 -1.382) 4.831 19.936 ( -0.495 1.424 -0.681) 1.654 19.962 ( -0.031 -0.211 0.027) 0.215 20.007 ( 0.539 1.449 -0.817) 1.749 20.200 ( 2.679 -5.748 0.712) 6.381 20.320 ( 0.731 1.191 -0.748) 1.585 20.416 ( 0.375 -0.807 -0.775) 1.180 20.466 ( -0.039 2.462 0.199) 2.470 20.630 ( -0.461 -1.435 1.572) 2.178 20.650 ( 0.030 3.671 -1.298) 3.894 20.822 ( -2.500 -1.418 -0.225) 2.883 20.978 ( -8.931 7.374 -2.088) 11.769 21.025 ( -1.245 0.908 0.632) 1.666 21.190 ( -0.842 1.909 0.492) 2.143 21.341 ( -1.127 -2.079 -0.029) 2.365 24.481 ( 0.102 -0.064 1.010) 1.017 24.499 ( 1.131 -0.900 0.908) 1.707 24.570 ( -0.567 0.520 0.312) 0.830 24.597 ( -0.197 -0.436 -0.056) 0.481 24.967 ( -0.215 0.153 0.186) 0.323 24.998 ( 0.002 -1.322 1.354) 1.893 25.080 ( -0.220 1.217 0.383) 1.295 25.126 ( 1.199 -0.525 -0.143) 1.317 28.498 ( 2.618 0.111 0.598) 2.687 28.509 ( 2.298 -0.439 -0.669) 2.433 28.546 ( -0.721 0.219 0.707) 1.034 28.563 ( -0.773 -0.481 -0.059) 0.912 28.616 ( -1.122 0.490 -0.466) 1.310 28.634 ( -0.557 0.435 -0.388) 0.806 28.653 ( -1.378 0.284 -0.149) 1.415 28.694 ( 0.365 -0.663 0.162) 0.774 35.276 ( -1.362 2.283 0.053) 2.659 35.409 ( 1.672 -2.493 -0.539) 3.049 35.774 ( 8.751 2.862 -1.249) 9.292 36.248 ( 15.196 -16.946 -8.249) 24.211 36.252 ( 3.971 -3.059 -1.639) 5.273 36.408 ( 8.548 -10.467 -10.308) 16.996 36.890 ( -1.098 8.942 -0.875) 9.052 37.336 ( 3.953 -10.295 2.830) 11.385 37.581 ( 0.521 0.849 -1.590) 1.876 37.627 ( 0.066 -0.591 0.088) 0.601 37.932 ( 0.496 2.459 -1.065) 2.726 38.094 ( -0.589 -3.395 -0.536) 3.487 38.155 ( -1.520 3.822 -1.122) 4.263 38.327 ( 0.167 -3.028 0.430) 3.063 38.440 ( -0.036 8.503 -0.338) 8.510 38.636 ( -0.118 4.590 0.274) 4.600 38.871 ( -0.967 -4.905 2.447) 5.567 38.912 ( 0.260 -6.348 -3.018) 7.034 39.039 ( -1.426 3.017 -2.442) 4.135 39.141 ( 0.868 -1.175 -4.398) 4.634 39.262 ( -2.281 2.536 1.587) 3.762 39.338 ( -2.324 2.825 0.233) 3.665 39.422 ( 0.890 -0.819 1.805) 2.173 39.494 ( 0.372 -2.461 0.410) 2.522 39.523 ( 1.657 1.539 -0.315) 2.283 39.625 ( 4.168 -3.395 0.606) 5.410 39.653 ( 0.773 7.596 -4.314) 8.769 40.128 ( 1.182 -5.628 -0.664) 5.789 40.243 ( -2.538 5.749 1.845) 6.549 40.462 ( 2.098 -0.434 2.780) 3.509 40.948 ( 8.396 -12.118 25.495) 29.450 41.244 ( 0.399 -14.306 -6.982) 15.923 ======================= Grid point 7 (6/66) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 9.043 0.000) 9.043 1.158 ( 0.000 5.274 0.000) 5.274 1.268 ( -0.000 14.468 -0.000) 14.468 1.291 ( 0.000 4.345 0.000) 4.345 1.565 ( 0.000 -3.503 0.000) 3.503 1.711 ( 0.000 -3.269 -0.000) 3.269 1.723 ( 0.000 -12.587 0.000) 12.587 1.816 ( 0.000 -5.154 0.000) 5.154 1.913 ( 0.000 1.936 0.000) 1.936 2.130 ( -0.000 -3.088 0.000) 3.088 2.191 ( -0.000 3.656 -0.000) 3.656 2.224 ( -0.000 -6.393 0.000) 6.393 2.227 ( 0.000 2.348 -0.000) 2.348 2.327 ( -0.000 -3.226 0.000) 3.226 2.367 ( 0.000 2.211 -0.000) 2.211 2.426 ( 0.000 0.399 0.000) 0.399 2.479 ( -0.000 0.058 -0.000) 0.058 2.510 ( 0.000 1.351 -0.000) 1.351 2.610 ( 0.000 1.863 0.000) 1.863 2.636 ( 0.000 2.372 0.000) 2.372 2.910 ( 0.000 -0.653 0.000) 0.653 3.092 ( 0.000 -7.853 0.000) 7.853 3.117 ( 0.000 -1.108 0.000) 1.108 3.248 ( 0.000 -3.274 0.000) 3.274 3.443 ( -0.000 6.705 0.000) 6.705 3.447 ( 0.000 5.661 -0.000) 5.661 3.614 ( -0.000 15.818 -0.000) 15.818 3.674 ( 0.000 7.576 0.000) 7.576 3.814 ( 0.000 -3.967 0.000) 3.967 3.912 ( 0.000 7.089 0.000) 7.089 3.972 ( 0.000 1.155 0.000) 1.155 3.983 ( 0.000 5.969 0.000) 5.969 4.138 ( 0.000 -7.997 -0.000) 7.997 4.193 ( 0.000 -1.567 0.000) 1.567 4.219 ( -0.000 10.299 0.000) 10.299 4.351 ( 0.000 2.366 0.000) 2.366 4.444 ( 0.000 2.605 0.000) 2.605 4.496 ( -0.000 0.628 0.000) 0.628 4.523 ( 0.000 3.870 -0.000) 3.870 4.791 ( 0.000 -4.546 0.000) 4.546 4.911 ( 0.000 3.911 0.000) 3.911 4.950 ( 0.000 -2.203 0.000) 2.203 4.994 ( 0.000 -7.488 0.000) 7.488 5.011 ( -0.000 -1.648 0.000) 1.648 5.082 ( 0.000 -2.197 -0.000) 2.197 5.125 ( 0.000 0.410 0.000) 0.410 5.360 ( 0.000 -2.929 -0.000) 2.929 5.413 ( 0.000 -5.994 0.000) 5.994 5.509 ( -0.000 2.489 0.000) 2.489 5.514 ( 0.000 1.214 -0.000) 1.214 5.670 ( 0.000 -0.389 0.000) 0.389 5.696 ( 0.000 1.414 -0.000) 1.414 5.716 ( 0.000 -0.631 0.000) 0.631 5.758 ( 0.000 0.621 -0.000) 0.621 5.925 ( 0.000 5.072 -0.000) 5.072 6.038 ( 0.000 -2.726 0.000) 2.726 6.087 ( 0.000 4.603 0.000) 4.603 6.225 ( 0.000 3.702 0.000) 3.702 6.319 ( 0.000 -4.462 0.000) 4.462 6.346 ( 0.000 3.993 -0.000) 3.993 6.408 ( 0.000 -1.022 0.000) 1.022 6.419 ( 0.000 6.712 -0.000) 6.712 6.514 ( 0.000 -3.413 -0.000) 3.413 6.775 ( 0.000 -2.159 0.000) 2.159 6.831 ( 0.000 -9.728 0.000) 9.728 7.011 ( 0.000 3.016 0.000) 3.016 7.125 ( -0.000 3.197 0.000) 3.197 7.145 ( 0.000 -1.015 -0.000) 1.015 7.251 ( 0.000 -1.783 0.000) 1.783 7.252 ( -0.000 2.784 0.000) 2.784 7.373 ( 0.000 4.605 0.000) 4.605 7.565 ( 0.000 -1.398 0.000) 1.398 7.597 ( 0.000 0.967 0.000) 0.967 7.738 ( -0.000 5.282 -0.000) 5.282 7.750 ( 0.000 6.253 0.000) 6.253 7.863 ( 0.000 -5.554 0.000) 5.554 8.033 ( 0.000 1.445 -0.000) 1.445 8.089 ( -0.000 6.988 0.000) 6.988 8.232 ( 0.000 3.593 0.000) 3.593 8.307 ( 0.000 0.792 0.000) 0.792 8.339 ( 0.000 -4.215 0.000) 4.215 8.437 ( 0.000 -9.520 0.000) 9.520 8.501 ( -0.000 -5.939 0.000) 5.939 8.598 ( 0.000 -6.523 -0.000) 6.523 8.629 ( -0.000 -1.006 0.000) 1.006 8.823 ( 0.000 -3.473 0.000) 3.473 8.856 ( 0.000 -0.811 0.000) 0.811 8.904 ( 0.000 -1.764 0.000) 1.764 8.957 ( 0.000 3.927 -0.000) 3.927 9.040 ( -0.000 -1.142 0.000) 1.142 9.046 ( 0.000 8.600 0.000) 8.600 9.084 ( -0.000 10.642 0.000) 10.642 9.285 ( 0.000 5.503 0.000) 5.503 9.307 ( 0.000 6.991 -0.000) 6.991 9.612 ( 0.000 -8.570 -0.000) 8.570 9.671 ( 0.000 -10.873 0.000) 10.873 9.728 ( 0.000 -6.638 -0.000) 6.638 9.746 ( 0.000 -6.347 0.000) 6.347 9.848 ( 0.000 -4.190 0.000) 4.190 9.892 ( -0.000 -1.142 0.000) 1.142 9.912 ( 0.000 -1.287 0.000) 1.287 9.992 ( 0.000 -0.579 0.000) 0.579 10.371 ( 0.000 -2.468 0.000) 2.468 10.434 ( 0.000 -5.316 0.000) 5.316 11.378 ( 0.000 -0.735 0.000) 0.735 11.429 ( 0.000 -3.330 0.000) 3.330 11.745 ( 0.000 7.480 0.000) 7.480 11.831 ( 0.000 -0.036 0.000) 0.036 11.849 ( 0.000 0.597 0.000) 0.597 11.916 ( 0.000 -1.228 0.000) 1.228 12.017 ( 0.000 1.658 0.000) 1.658 12.026 ( 0.000 -1.206 -0.000) 1.206 12.069 ( 0.000 1.024 0.000) 1.024 12.142 ( 0.000 0.247 0.000) 0.247 12.416 ( 0.000 10.692 0.000) 10.692 12.433 ( -0.000 9.197 0.000) 9.197 12.591 ( 0.000 -0.409 -0.000) 0.409 12.629 ( 0.000 0.285 0.000) 0.285 12.790 ( 0.000 -0.057 0.000) 0.057 12.885 ( 0.000 -0.488 -0.000) 0.488 12.992 ( 0.000 0.001 0.000) 0.001 13.047 ( 0.000 2.233 -0.000) 2.233 13.130 ( 0.000 -3.744 0.000) 3.744 13.149 ( -0.000 0.065 0.000) 0.065 13.624 ( 0.000 -1.899 0.000) 1.899 13.637 ( 0.000 -2.226 0.000) 2.226 13.800 ( 0.000 1.652 0.000) 1.652 13.865 ( 0.000 -0.592 0.000) 0.592 14.156 ( 0.000 2.361 0.000) 2.361 14.169 ( 0.000 1.056 0.000) 1.056 14.222 ( 0.000 -1.624 0.000) 1.624 14.378 ( 0.000 -5.262 0.000) 5.262 14.584 ( 0.000 1.288 0.000) 1.288 14.631 ( 0.000 0.375 0.000) 0.375 14.756 ( 0.000 0.428 -0.000) 0.428 14.830 ( 0.000 -0.915 0.000) 0.915 17.423 ( 0.000 0.212 -0.000) 0.212 17.455 ( 0.000 -0.829 0.000) 0.829 17.476 ( 0.000 0.011 -0.000) 0.011 17.568 ( 0.000 -3.568 0.000) 3.568 17.787 ( 0.000 1.571 0.000) 1.571 17.892 ( 0.000 -1.626 0.000) 1.626 17.992 ( 0.000 0.629 0.000) 0.629 18.104 ( 0.000 -4.872 0.000) 4.872 18.373 ( 0.000 3.472 -0.000) 3.472 18.402 ( 0.000 -0.514 0.000) 0.514 18.433 ( 0.000 -2.764 0.000) 2.764 18.524 ( 0.000 -0.595 0.000) 0.595 18.745 ( 0.000 -2.034 0.000) 2.034 18.779 ( 0.000 -6.207 0.000) 6.207 18.883 ( 0.000 -2.090 0.000) 2.090 18.932 ( 0.000 -3.018 -0.000) 3.018 19.655 ( 0.000 14.065 -0.000) 14.065 19.839 ( 0.000 3.167 0.000) 3.167 19.932 ( 0.000 1.061 0.000) 1.061 19.962 ( 0.000 -0.217 -0.000) 0.217 20.014 ( 0.000 1.751 0.000) 1.751 20.230 ( 0.000 -4.419 0.000) 4.419 20.330 ( 0.000 1.138 -0.000) 1.138 20.416 ( 0.000 -1.788 0.000) 1.788 20.466 ( 0.000 2.953 0.000) 2.953 20.632 ( 0.000 -2.870 0.000) 2.870 20.644 ( 0.000 4.517 -0.000) 4.517 20.797 ( 0.000 -2.225 0.000) 2.225 20.888 ( 0.000 7.029 0.000) 7.029 21.012 ( 0.000 0.357 0.000) 0.357 21.186 ( 0.000 0.976 0.000) 0.976 21.328 ( 0.000 -2.732 0.000) 2.732 24.485 ( 0.000 0.222 0.000) 0.222 24.512 ( 0.000 -0.842 0.000) 0.842 24.564 ( 0.000 0.543 0.000) 0.543 24.594 ( 0.000 -0.549 0.000) 0.549 24.966 ( 0.000 0.222 0.000) 0.222 24.999 ( 0.000 -1.297 0.000) 1.297 25.079 ( 0.000 1.636 0.000) 1.636 25.139 ( 0.000 -0.690 0.000) 0.690 28.531 ( 0.000 0.172 0.000) 0.172 28.546 ( 0.000 -0.164 0.000) 0.164 28.548 ( -0.000 0.167 -0.000) 0.167 28.557 ( -0.000 -0.304 -0.000) 0.304 28.594 ( 0.000 0.004 0.000) 0.004 28.599 ( 0.000 -0.141 -0.000) 0.141 28.646 ( 0.000 1.147 0.000) 1.147 28.700 ( 0.000 -0.813 0.000) 0.813 35.263 ( 0.000 2.202 0.000) 2.202 35.429 ( 0.000 -4.222 0.000) 4.222 35.885 ( 0.000 5.960 0.000) 5.960 36.263 ( 0.000 1.500 -0.000) 1.500 36.303 ( 0.000 -7.935 0.000) 7.935 36.503 ( 0.000 -9.118 0.000) 9.118 36.890 ( 0.000 2.343 0.000) 2.343 37.385 ( 0.000 -13.615 0.000) 13.615 37.585 ( 0.000 0.613 0.000) 0.613 37.628 ( 0.000 -0.442 -0.000) 0.442 37.935 ( 0.000 2.479 0.000) 2.479 38.086 ( 0.000 -3.517 0.000) 3.517 38.136 ( 0.000 4.730 0.000) 4.730 38.330 ( 0.000 -3.161 0.000) 3.161 38.439 ( 0.000 8.452 0.000) 8.452 38.635 ( 0.000 4.616 0.000) 4.616 38.879 ( 0.000 -4.690 -0.000) 4.690 38.902 ( 0.000 -7.072 0.000) 7.072 39.015 ( 0.000 4.418 -0.000) 4.418 39.135 ( 0.000 -2.137 0.000) 2.137 39.248 ( 0.000 3.488 0.000) 3.488 39.317 ( 0.000 2.584 0.000) 2.584 39.448 ( 0.000 -1.508 0.000) 1.508 39.469 ( 0.000 -1.989 0.000) 1.989 39.551 ( 0.000 1.722 -0.000) 1.722 39.656 ( 0.000 6.357 0.000) 6.357 39.662 ( 0.000 -3.318 0.000) 3.318 40.143 ( 0.000 -9.558 0.000) 9.558 40.218 ( 0.000 11.183 0.000) 11.183 40.490 ( 0.000 0.900 -0.000) 0.900 41.095 ( 0.000 -12.188 -0.000) 12.188 41.222 ( 0.000 -17.103 0.000) 17.103 ======================= Grid point 10 (7/66) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 -18.404 0.000) 18.404 0.927 ( 0.000 18.404 0.000) 18.404 1.114 ( 0.000 -22.461 0.000) 22.461 1.114 ( 0.000 22.461 0.000) 22.461 1.583 ( 0.000 -2.253 0.000) 2.253 1.583 ( 0.000 2.253 0.000) 2.253 1.791 ( 0.000 -4.657 0.000) 4.657 1.791 ( 0.000 4.657 0.000) 4.657 1.935 ( 0.000 -26.260 0.000) 26.260 1.935 ( 0.000 26.260 0.000) 26.260 2.063 ( 0.000 -4.067 0.000) 4.067 2.063 ( 0.000 4.067 0.000) 4.067 2.158 ( 0.000 -1.543 0.000) 1.543 2.158 ( 0.000 1.543 0.000) 1.543 2.389 ( 0.000 -0.442 0.000) 0.442 2.389 ( 0.000 0.442 0.000) 0.442 2.451 ( 0.000 -2.627 0.000) 2.627 2.451 ( 0.000 2.627 0.000) 2.627 2.667 ( 0.000 -5.493 0.000) 5.493 2.667 ( 0.000 5.493 0.000) 5.493 2.923 ( 0.000 -6.975 0.000) 6.975 2.923 ( 0.000 6.975 0.000) 6.975 3.375 ( 0.000 -0.667 0.000) 0.667 3.375 ( 0.000 0.667 0.000) 0.667 3.420 ( 0.000 -2.058 0.000) 2.058 3.420 ( 0.000 2.058 0.000) 2.058 3.822 ( 0.000 -1.575 0.000) 1.575 3.822 ( 0.000 1.575 0.000) 1.575 3.887 ( 0.000 -6.386 0.000) 6.386 3.887 ( 0.000 6.386 0.000) 6.386 4.048 ( 0.000 -1.673 0.000) 1.673 4.048 ( 0.000 1.673 0.000) 1.673 4.101 ( 0.000 -0.015 0.000) 0.015 4.101 ( 0.000 0.015 0.000) 0.015 4.401 ( 0.000 -1.623 0.000) 1.623 4.401 ( 0.000 1.623 0.000) 1.623 4.518 ( 0.000 -6.871 0.000) 6.871 4.518 ( 0.000 6.871 0.000) 6.871 4.684 ( 0.000 -1.493 0.000) 1.493 4.684 ( 0.000 1.493 0.000) 1.493 4.761 ( 0.000 -9.513 0.000) 9.513 4.761 ( 0.000 9.513 0.000) 9.513 4.957 ( 0.000 -0.749 0.000) 0.749 4.957 ( 0.000 0.749 0.000) 0.749 5.127 ( 0.000 -0.187 0.000) 0.187 5.127 ( 0.000 0.187 0.000) 0.187 5.172 ( 0.000 -2.550 0.000) 2.550 5.172 ( 0.000 2.550 0.000) 2.550 5.441 ( 0.000 -7.037 0.000) 7.037 5.441 ( 0.000 7.037 0.000) 7.037 5.749 ( 0.000 -1.769 0.000) 1.769 5.749 ( 0.000 1.769 0.000) 1.769 5.771 ( 0.000 -3.199 0.000) 3.199 5.771 ( 0.000 3.199 0.000) 3.199 6.083 ( 0.000 -1.701 0.000) 1.701 6.083 ( 0.000 1.701 0.000) 1.701 6.305 ( 0.000 -2.920 0.000) 2.920 6.305 ( 0.000 2.920 0.000) 2.920 6.381 ( 0.000 -4.499 0.000) 4.499 6.381 ( 0.000 4.499 0.000) 4.499 6.620 ( 0.000 -7.440 0.000) 7.440 6.620 ( 0.000 7.440 0.000) 7.440 6.675 ( 0.000 -5.144 0.000) 5.144 6.675 ( 0.000 5.144 0.000) 5.144 6.982 ( 0.000 -4.450 0.000) 4.450 6.982 ( 0.000 4.450 0.000) 4.450 7.129 ( 0.000 -1.040 0.000) 1.040 7.129 ( 0.000 1.040 0.000) 1.040 7.328 ( 0.000 -1.643 0.000) 1.643 7.328 ( 0.000 1.643 0.000) 1.643 7.475 ( 0.000 -9.902 0.000) 9.902 7.475 ( 0.000 9.902 0.000) 9.902 7.716 ( 0.000 -1.604 0.000) 1.604 7.716 ( 0.000 1.604 0.000) 1.604 7.752 ( 0.000 -2.328 0.000) 2.328 7.752 ( 0.000 2.328 0.000) 2.328 7.903 ( 0.000 -6.842 0.000) 6.842 7.903 ( 0.000 6.842 0.000) 6.842 8.301 ( 0.000 -3.142 0.000) 3.142 8.301 ( 0.000 3.142 0.000) 3.142 8.390 ( 0.000 -0.784 0.000) 0.784 8.390 ( 0.000 0.784 0.000) 0.784 8.496 ( 0.000 -3.913 0.000) 3.913 8.496 ( 0.000 3.913 0.000) 3.913 8.566 ( 0.000 -3.302 0.000) 3.302 8.566 ( 0.000 3.302 0.000) 3.302 8.794 ( 0.000 -0.980 0.000) 0.980 8.794 ( 0.000 0.980 0.000) 0.980 8.924 ( 0.000 -3.687 0.000) 3.687 8.924 ( 0.000 3.687 0.000) 3.687 9.113 ( 0.000 -0.424 0.000) 0.424 9.113 ( 0.000 0.424 0.000) 0.424 9.304 ( 0.000 -6.970 0.000) 6.970 9.304 ( 0.000 6.970 0.000) 6.970 9.581 ( 0.000 -1.725 0.000) 1.725 9.581 ( 0.000 1.725 0.000) 1.725 9.734 ( 0.000 -8.568 0.000) 8.568 9.734 ( 0.000 8.568 0.000) 8.568 9.862 ( 0.000 -0.532 0.000) 0.532 9.862 ( 0.000 0.532 0.000) 0.532 9.971 ( 0.000 -4.215 0.000) 4.215 9.971 ( 0.000 4.215 0.000) 4.215 10.336 ( 0.000 -1.086 0.000) 1.086 10.336 ( 0.000 1.086 0.000) 1.086 11.370 ( 0.000 -0.357 0.000) 0.357 11.370 ( 0.000 0.357 0.000) 0.357 11.803 ( 0.000 -3.583 0.000) 3.583 11.803 ( 0.000 3.583 0.000) 3.583 11.863 ( 0.000 -0.062 0.000) 0.062 11.863 ( 0.000 0.062 0.000) 0.062 11.984 ( 0.000 -1.013 0.000) 1.013 11.984 ( 0.000 1.013 0.000) 1.013 12.148 ( 0.000 -0.987 0.000) 0.987 12.148 ( 0.000 0.987 0.000) 0.987 12.512 ( 0.000 -5.447 0.000) 5.447 12.512 ( 0.000 5.447 0.000) 5.447 12.622 ( 0.000 -1.372 0.000) 1.372 12.622 ( 0.000 1.372 0.000) 1.372 12.892 ( 0.000 -1.663 0.000) 1.663 12.892 ( 0.000 1.663 0.000) 1.663 13.028 ( 0.000 -1.296 0.000) 1.296 13.028 ( 0.000 1.296 0.000) 1.296 13.319 ( 0.000 -1.216 0.000) 1.216 13.319 ( 0.000 1.216 0.000) 1.216 13.662 ( 0.000 -1.419 0.000) 1.419 13.662 ( 0.000 1.419 0.000) 1.419 13.764 ( 0.000 -3.094 0.000) 3.094 13.764 ( 0.000 3.094 0.000) 3.094 14.231 ( 0.000 -0.817 0.000) 0.817 14.231 ( 0.000 0.817 0.000) 0.817 14.400 ( 0.000 -1.868 0.000) 1.868 14.400 ( 0.000 1.868 0.000) 1.868 14.478 ( 0.000 -0.337 0.000) 0.337 14.478 ( 0.000 0.337 0.000) 0.337 14.721 ( 0.000 -2.166 0.000) 2.166 14.721 ( 0.000 2.166 0.000) 2.166 17.407 ( 0.000 -1.103 0.000) 1.103 17.407 ( 0.000 1.103 0.000) 1.103 17.529 ( 0.000 -0.776 0.000) 0.776 17.529 ( 0.000 0.776 0.000) 0.776 17.776 ( 0.000 -1.200 0.000) 1.200 17.776 ( 0.000 1.200 0.000) 1.200 17.968 ( 0.000 -0.379 0.000) 0.379 17.968 ( 0.000 0.379 0.000) 0.379 18.327 ( 0.000 -2.313 0.000) 2.313 18.327 ( 0.000 2.313 0.000) 2.313 18.515 ( 0.000 -2.253 0.000) 2.253 18.515 ( 0.000 2.253 0.000) 2.253 18.757 ( 0.000 -1.548 0.000) 1.548 18.757 ( 0.000 1.548 0.000) 1.548 18.861 ( 0.000 -2.024 0.000) 2.024 18.861 ( 0.000 2.024 0.000) 2.024 19.886 ( 0.000 -5.578 0.000) 5.578 19.886 ( 0.000 5.578 0.000) 5.578 19.958 ( 0.000 -0.211 0.000) 0.211 19.958 ( 0.000 0.211 0.000) 0.211 20.034 ( 0.000 -2.105 0.000) 2.105 20.034 ( 0.000 2.105 0.000) 2.105 20.358 ( 0.000 -2.435 0.000) 2.435 20.358 ( 0.000 2.435 0.000) 2.435 20.558 ( 0.000 -4.140 0.000) 4.140 20.558 ( 0.000 4.140 0.000) 4.140 20.769 ( 0.000 -4.860 0.000) 4.860 20.769 ( 0.000 4.860 0.000) 4.860 21.078 ( 0.000 -2.203 0.000) 2.203 21.078 ( 0.000 2.203 0.000) 2.203 21.318 ( 0.000 -2.177 0.000) 2.177 21.318 ( 0.000 2.177 0.000) 2.177 24.472 ( 0.000 -0.334 0.000) 0.334 24.472 ( 0.000 0.334 0.000) 0.334 24.589 ( 0.000 -0.590 0.000) 0.590 24.589 ( 0.000 0.590 0.000) 0.590 24.976 ( 0.000 -0.381 0.000) 0.381 24.976 ( 0.000 0.381 0.000) 0.381 25.099 ( 0.000 -0.498 0.000) 0.498 25.099 ( 0.000 0.498 0.000) 0.498 28.473 ( 0.000 -0.375 0.000) 0.375 28.473 ( 0.000 0.375 0.000) 0.375 28.560 ( 0.000 -0.157 0.000) 0.157 28.560 ( 0.000 0.157 0.000) 0.157 28.643 ( 0.000 -1.085 0.000) 1.085 28.643 ( 0.000 1.085 0.000) 1.085 28.675 ( 0.000 -1.164 0.000) 1.164 28.675 ( 0.000 1.164 0.000) 1.164 35.371 ( 0.000 -3.776 0.000) 3.776 35.371 ( 0.000 3.776 0.000) 3.776 35.652 ( 0.000 -0.505 0.000) 0.505 35.652 ( 0.000 0.505 0.000) 0.505 36.278 ( 0.000 -2.605 0.000) 2.605 36.278 ( 0.000 2.605 0.000) 2.605 37.142 ( 0.000 -7.724 0.000) 7.724 37.142 ( 0.000 7.724 0.000) 7.724 37.603 ( 0.000 -1.156 0.000) 1.156 37.603 ( 0.000 1.156 0.000) 1.156 38.008 ( 0.000 -4.334 0.000) 4.334 38.008 ( 0.000 4.334 0.000) 4.334 38.248 ( 0.000 -3.624 0.000) 3.624 38.248 ( 0.000 3.624 0.000) 3.624 38.673 ( 0.000 -11.292 0.000) 11.292 38.673 ( 0.000 11.292 0.000) 11.292 38.762 ( 0.000 -5.898 0.000) 5.898 38.762 ( 0.000 5.898 0.000) 5.898 39.111 ( 0.000 -0.786 0.000) 0.786 39.111 ( 0.000 0.786 0.000) 0.786 39.334 ( 0.000 -1.846 0.000) 1.846 39.334 ( 0.000 1.846 0.000) 1.846 39.487 ( 0.000 -2.248 0.000) 2.248 39.487 ( 0.000 2.248 0.000) 2.248 39.509 ( 0.000 -1.199 0.000) 1.199 39.509 ( 0.000 1.199 0.000) 1.199 39.909 ( 0.000 -11.973 0.000) 11.973 39.909 ( 0.000 11.973 0.000) 11.973 40.343 ( 0.000 -3.324 0.000) 3.324 40.343 ( 0.000 3.324 0.000) 3.324 40.930 ( 0.000 -13.115 0.000) 13.115 40.930 ( 0.000 13.115 0.000) 13.115 ======================= Grid point 12 (8/66) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 7.897 -16.163 7.654) 19.550 1.064 ( 7.897 16.163 7.654) 19.550 1.314 ( 13.790 -13.315 -1.792) 19.253 1.314 ( 13.790 13.315 -1.792) 19.253 1.562 ( -0.297 -4.960 -6.715) 8.354 1.562 ( -0.297 4.960 -6.715) 8.354 1.715 ( -6.223 -2.715 -0.205) 6.792 1.715 ( -6.223 2.715 -0.205) 6.792 2.027 ( -2.226 -6.429 1.868) 7.055 2.027 ( -2.226 6.429 1.868) 7.055 2.093 ( 9.457 -17.193 0.694) 19.635 2.093 ( 9.457 17.193 0.694) 19.635 2.222 ( 9.074 -3.366 -0.637) 9.700 2.222 ( 9.074 3.366 -0.637) 9.700 2.396 ( -1.688 -6.603 0.817) 6.864 2.396 ( -1.688 6.603 0.817) 6.864 2.434 ( 1.701 -5.320 0.082) 5.585 2.434 ( 1.701 5.320 0.082) 5.585 2.669 ( -0.551 -5.939 0.604) 5.995 2.669 ( -0.551 5.939 0.604) 5.995 2.902 ( 0.036 -4.876 -1.990) 5.267 2.902 ( 0.036 4.876 -1.990) 5.267 3.274 ( -9.119 -7.650 -1.944) 12.060 3.274 ( -9.119 7.650 -1.944) 12.060 3.457 ( 3.897 -1.395 1.881) 4.546 3.457 ( 3.897 1.395 1.881) 4.546 3.820 ( -0.558 -0.525 -0.939) 1.212 3.820 ( -0.558 0.525 -0.939) 1.212 3.871 ( -0.633 -7.471 1.902) 7.735 3.871 ( -0.633 7.471 1.902) 7.735 4.056 ( -0.847 -3.813 -5.114) 6.435 4.056 ( -0.847 3.813 -5.114) 6.435 4.121 ( 1.644 -4.528 -1.001) 4.920 4.121 ( 1.644 4.528 -1.001) 4.920 4.369 ( 0.515 -7.257 1.159) 7.367 4.369 ( 0.515 7.257 1.159) 7.367 4.566 ( -4.676 -6.707 0.327) 8.183 4.566 ( -4.676 6.707 0.327) 8.183 4.666 ( 2.742 -3.366 3.398) 5.513 4.666 ( 2.742 3.366 3.398) 5.513 4.784 ( 2.572 -4.947 3.817) 6.757 4.784 ( 2.572 4.947 3.817) 6.757 4.954 ( 0.680 -2.951 2.399) 3.864 4.954 ( 0.680 2.951 2.399) 3.864 5.141 ( -0.575 -2.363 0.396) 2.464 5.141 ( -0.575 2.363 0.396) 2.464 5.242 ( 5.655 -1.432 -0.695) 5.875 5.242 ( 5.655 1.432 -0.695) 5.875 5.533 ( 5.361 -6.077 -3.415) 8.794 5.533 ( 5.361 6.077 -3.415) 8.794 5.623 ( -2.416 -1.331 2.709) 3.866 5.623 ( -2.416 1.331 2.709) 3.866 5.783 ( -4.190 -2.505 -1.239) 5.036 5.783 ( -4.190 2.505 -1.239) 5.036 6.083 ( -1.426 -4.346 -1.134) 4.712 6.083 ( -1.426 4.346 -1.134) 4.712 6.260 ( -3.272 -4.761 -2.522) 6.304 6.260 ( -3.272 4.761 -2.522) 6.304 6.384 ( -4.982 -4.211 0.055) 6.523 6.384 ( -4.982 4.211 0.055) 6.523 6.504 ( -4.023 -3.808 -1.489) 5.736 6.504 ( -4.023 3.808 -1.489) 5.736 6.652 ( 0.440 -6.617 -0.522) 6.653 6.652 ( 0.440 6.617 -0.522) 6.653 6.849 ( -10.401 -6.641 -0.695) 12.360 6.849 ( -10.401 6.641 -0.695) 12.360 7.148 ( 2.847 -2.513 2.218) 4.398 7.148 ( 2.847 2.513 2.218) 4.398 7.354 ( 1.773 -6.660 2.010) 7.179 7.354 ( 1.773 6.660 2.010) 7.179 7.406 ( -2.127 -4.179 -4.652) 6.605 7.406 ( -2.127 4.179 -4.652) 6.605 7.701 ( -0.923 -3.386 1.985) 4.032 7.701 ( -0.923 3.386 1.985) 4.032 7.840 ( 3.382 -3.004 -0.241) 4.530 7.840 ( 3.382 3.004 -0.241) 4.530 8.033 ( 9.292 -7.530 1.231) 12.023 8.033 ( 9.292 7.530 1.231) 12.023 8.295 ( -1.533 -3.726 0.376) 4.047 8.295 ( -1.533 3.726 0.376) 4.047 8.330 ( -3.600 -5.189 -0.711) 6.355 8.330 ( -3.600 5.189 -0.711) 6.355 8.487 ( -2.117 -4.518 0.604) 5.026 8.487 ( -2.117 4.518 0.604) 5.026 8.645 ( 4.923 -5.366 2.002) 7.553 8.645 ( 4.923 5.366 2.002) 7.553 8.838 ( 3.365 -1.798 0.573) 3.858 8.838 ( 3.365 1.798 0.573) 3.858 9.021 ( 6.644 -6.683 -0.005) 9.424 9.021 ( 6.644 6.683 -0.005) 9.424 9.097 ( 0.720 -4.465 1.895) 4.904 9.097 ( 0.720 4.465 1.895) 4.904 9.333 ( 2.651 -7.882 -2.904) 8.808 9.333 ( 2.651 7.882 -2.904) 8.808 9.564 ( -2.352 -8.709 -0.726) 9.051 9.564 ( -2.352 8.709 -0.726) 9.051 9.675 ( -4.362 -6.108 1.636) 7.682 9.675 ( -4.362 6.108 1.636) 7.682 9.841 ( -0.277 -3.422 -5.503) 6.486 9.841 ( -0.277 3.422 -5.503) 6.486 9.959 ( -1.703 -4.321 2.329) 5.195 9.959 ( -1.703 4.321 2.329) 5.195 10.345 ( 0.342 -1.047 1.954) 2.243 10.345 ( 0.342 1.047 1.954) 2.243 11.374 ( 0.436 -0.757 -0.262) 0.912 11.374 ( 0.436 0.757 -0.262) 0.912 11.822 ( 1.211 -2.020 0.006) 2.355 11.822 ( 1.211 2.020 0.006) 2.355 11.869 ( 0.995 -1.919 0.207) 2.171 11.869 ( 0.995 1.919 0.207) 2.171 11.992 ( 0.925 -0.602 -0.819) 1.374 11.992 ( 0.925 0.602 -0.819) 1.374 12.140 ( -0.932 -1.200 -0.906) 1.769 12.140 ( -0.932 1.200 -0.906) 1.769 12.522 ( 0.471 -4.121 1.533) 4.422 12.522 ( 0.471 4.121 1.533) 4.422 12.628 ( 1.145 -2.122 -1.746) 2.977 12.628 ( 1.145 2.122 -1.746) 2.977 12.878 ( -1.365 -3.690 -4.391) 5.896 12.878 ( -1.365 3.690 -4.391) 5.896 13.002 ( -1.218 -1.114 2.428) 2.936 13.002 ( -1.218 1.114 2.428) 2.936 13.224 ( -7.383 -2.779 0.032) 7.889 13.224 ( -7.383 2.779 0.032) 7.889 13.621 ( -2.479 -1.969 2.013) 3.751 13.621 ( -2.479 1.969 2.013) 3.751 13.805 ( 2.386 -1.664 1.386) 3.222 13.805 ( 2.386 1.664 1.386) 3.222 14.226 ( -1.629 -2.121 1.164) 2.916 14.226 ( -1.629 2.121 1.164) 2.916 14.299 ( -6.419 -1.140 3.640) 7.466 14.299 ( -6.419 1.140 3.640) 7.466 14.562 ( 5.556 -1.413 -2.770) 6.367 14.562 ( 5.556 1.413 -2.770) 6.367 14.760 ( 2.539 -2.202 0.812) 3.458 14.760 ( 2.539 2.202 0.812) 3.458 17.450 ( 2.372 -0.819 -0.745) 2.618 17.450 ( 2.372 0.819 -0.745) 2.618 17.482 ( -1.952 -0.244 -1.415) 2.424 17.482 ( -1.952 0.244 -1.415) 2.424 17.821 ( 2.540 -0.511 -0.755) 2.699 17.821 ( 2.540 0.511 -0.755) 2.699 17.982 ( 2.403 -1.349 -1.452) 3.115 17.982 ( 2.403 1.349 -1.452) 3.115 18.365 ( 2.629 -1.550 1.139) 3.258 18.365 ( 2.629 1.550 1.139) 3.258 18.491 ( -2.214 -3.012 0.679) 3.799 18.491 ( -2.214 3.012 0.679) 3.799 18.732 ( -1.761 -0.313 -0.543) 1.870 18.732 ( -1.761 0.313 -0.543) 1.870 18.876 ( 1.147 -1.525 -0.348) 1.939 18.876 ( 1.147 1.525 -0.348) 1.939 19.862 ( -1.724 -4.111 0.374) 4.474 19.862 ( -1.724 4.111 0.374) 4.474 19.956 ( -0.066 -0.475 -0.156) 0.505 19.956 ( -0.066 0.475 -0.156) 0.505 20.073 ( 3.004 -4.807 -0.746) 5.717 20.073 ( 3.004 4.807 -0.746) 5.717 20.362 ( 0.500 -2.408 -0.993) 2.652 20.362 ( 0.500 2.408 -0.993) 2.652 20.557 ( -0.227 -4.007 0.302) 4.025 20.557 ( -0.227 4.007 0.302) 4.025 20.751 ( -1.465 -4.220 -0.076) 4.468 20.751 ( -1.465 4.220 -0.076) 4.468 21.042 ( -2.923 -0.354 -0.933) 3.089 21.042 ( -2.923 0.354 -0.933) 3.089 21.271 ( -2.833 -4.077 0.303) 4.974 21.271 ( -2.833 4.077 0.303) 4.974 24.484 ( 0.702 -0.386 0.741) 1.092 24.484 ( 0.702 0.386 0.741) 1.092 24.584 ( -0.418 -0.665 0.087) 0.791 24.584 ( -0.418 0.665 0.087) 0.791 24.976 ( -0.084 -0.662 0.425) 0.791 24.976 ( -0.084 0.662 0.425) 0.791 25.107 ( 0.626 -1.125 0.036) 1.288 25.107 ( 0.626 1.125 0.036) 1.288 28.502 ( 2.483 -0.255 0.155) 2.501 28.502 ( 2.483 0.255 0.155) 2.501 28.552 ( -0.642 -0.405 0.444) 0.879 28.552 ( -0.642 0.405 0.444) 0.879 28.629 ( -1.527 -0.567 -0.475) 1.697 28.629 ( -1.527 0.567 -0.475) 1.697 28.673 ( 0.074 -1.093 -0.022) 1.096 28.673 ( 0.074 1.093 -0.022) 1.096 35.341 ( -1.015 -3.256 -0.194) 3.415 35.341 ( -1.015 3.256 -0.194) 3.415 35.900 ( 17.780 -9.344 -4.912) 20.678 35.900 ( 17.780 9.344 -4.912) 20.678 36.288 ( 1.782 -2.759 -1.876) 3.782 36.288 ( 1.782 2.759 -1.876) 3.782 37.113 ( -3.516 -9.993 4.624) 11.559 37.113 ( -3.516 9.993 4.624) 11.559 37.606 ( 0.332 -1.204 -0.360) 1.299 37.606 ( 0.332 1.204 -0.360) 1.299 38.006 ( 0.110 -3.940 -1.078) 4.086 38.006 ( 0.110 3.940 -1.078) 4.086 38.245 ( -0.313 -4.108 0.456) 4.145 38.245 ( -0.313 4.108 0.456) 4.145 38.670 ( -0.140 -10.869 0.006) 10.870 38.670 ( -0.140 10.869 0.006) 10.870 38.762 ( -0.054 -5.475 0.311) 5.484 38.762 ( -0.054 5.475 0.311) 5.484 39.109 ( 0.163 -2.202 -3.863) 4.449 39.109 ( 0.163 2.202 -3.863) 4.449 39.325 ( -0.976 -3.061 4.247) 5.325 39.325 ( -0.976 3.061 4.247) 5.325 39.439 ( -1.905 -2.490 0.443) 3.166 39.439 ( -1.905 2.490 0.443) 3.166 39.571 ( 3.175 -2.140 -2.247) 4.440 39.571 ( 3.175 2.140 -2.247) 4.440 39.895 ( -0.710 -12.307 -1.398) 12.407 39.895 ( -0.710 12.307 -1.398) 12.407 40.400 ( 2.806 -5.435 6.545) 8.958 40.400 ( 2.806 5.435 6.545) 8.958 40.941 ( 1.072 -9.497 -0.959) 9.605 40.941 ( 1.072 9.497 -0.959) 9.605 ======================= Grid point 14 (9/66) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.000 -3.355 -0.000) 3.355 1.258 ( 0.000 3.355 0.000) 3.355 1.346 ( 0.000 -16.768 0.000) 16.768 1.346 ( 0.000 16.768 0.000) 16.768 1.560 ( 0.000 -5.681 0.000) 5.681 1.560 ( -0.000 5.681 0.000) 5.681 1.647 ( 0.000 -1.580 0.000) 1.580 1.647 ( -0.000 1.580 0.000) 1.580 2.008 ( 0.000 -5.377 0.000) 5.377 2.008 ( 0.000 5.377 0.000) 5.377 2.158 ( 0.000 -3.066 0.000) 3.066 2.158 ( 0.000 3.066 0.000) 3.066 2.337 ( 0.000 -2.859 0.000) 2.859 2.337 ( 0.000 2.859 0.000) 2.859 2.376 ( 0.000 -1.775 -0.000) 1.775 2.376 ( 0.000 1.775 -0.000) 1.775 2.571 ( -0.000 -0.400 0.000) 0.400 2.571 ( -0.000 0.400 0.000) 0.400 2.636 ( 0.000 -3.095 0.000) 3.095 2.636 ( 0.000 3.095 0.000) 3.095 2.918 ( -0.000 -5.319 0.000) 5.319 2.918 ( 0.000 5.319 0.000) 5.319 3.122 ( 0.000 -4.559 0.000) 4.559 3.122 ( 0.000 4.559 0.000) 4.559 3.524 ( 0.000 -0.549 0.000) 0.549 3.524 ( 0.000 0.549 0.000) 0.549 3.802 ( 0.000 -0.857 -0.000) 0.857 3.802 ( 0.000 0.857 0.000) 0.857 3.870 ( 0.000 -11.286 -0.000) 11.286 3.870 ( 0.000 11.286 -0.000) 11.286 4.012 ( 0.000 -1.870 0.000) 1.870 4.012 ( 0.000 1.870 0.000) 1.870 4.146 ( 0.000 -4.984 0.000) 4.984 4.146 ( 0.000 4.984 0.000) 4.984 4.396 ( 0.000 -1.968 0.000) 1.968 4.396 ( 0.000 1.968 -0.000) 1.968 4.476 ( 0.000 -2.090 0.000) 2.090 4.476 ( 0.000 2.090 0.000) 2.090 4.728 ( 0.000 -7.802 0.000) 7.802 4.728 ( 0.000 7.802 0.000) 7.802 4.815 ( 0.000 -0.318 0.000) 0.318 4.815 ( 0.000 0.318 0.000) 0.318 4.987 ( 0.000 -1.657 0.000) 1.657 4.987 ( 0.000 1.657 0.000) 1.657 5.119 ( 0.000 -4.683 0.000) 4.683 5.119 ( 0.000 4.683 -0.000) 4.683 5.315 ( 0.000 -0.332 0.000) 0.332 5.315 ( 0.000 0.332 0.000) 0.332 5.537 ( 0.000 -0.187 0.000) 0.187 5.537 ( 0.000 0.187 0.000) 0.187 5.698 ( -0.000 -1.137 -0.000) 1.137 5.698 ( 0.000 1.137 0.000) 1.137 5.719 ( 0.000 -2.473 0.000) 2.473 5.719 ( 0.000 2.473 0.000) 2.473 5.978 ( 0.000 -0.811 -0.000) 0.811 5.978 ( 0.000 0.811 0.000) 0.811 6.185 ( 0.000 -4.530 0.000) 4.530 6.185 ( 0.000 4.530 0.000) 4.530 6.342 ( 0.000 -5.094 -0.000) 5.094 6.342 ( 0.000 5.094 0.000) 5.094 6.489 ( 0.000 -5.847 0.000) 5.847 6.489 ( 0.000 5.847 0.000) 5.847 6.679 ( 0.000 -4.445 -0.000) 4.445 6.679 ( 0.000 4.445 -0.000) 4.445 6.728 ( 0.000 -11.306 0.000) 11.306 6.728 ( 0.000 11.306 0.000) 11.306 7.193 ( 0.000 -1.391 0.000) 1.391 7.193 ( 0.000 1.391 0.000) 1.391 7.318 ( 0.000 -0.619 0.000) 0.619 7.318 ( 0.000 0.619 -0.000) 0.619 7.449 ( 0.000 -5.352 0.000) 5.352 7.449 ( 0.000 5.352 -0.000) 5.352 7.675 ( 0.000 -4.929 -0.000) 4.929 7.675 ( 0.000 4.929 0.000) 4.929 7.874 ( 0.000 -3.360 -0.000) 3.360 7.874 ( 0.000 3.360 0.000) 3.360 8.149 ( 0.000 -10.187 0.000) 10.187 8.149 ( -0.000 10.187 -0.000) 10.187 8.257 ( -0.000 -4.051 0.000) 4.051 8.257 ( 0.000 4.051 0.000) 4.051 8.310 ( 0.000 -1.655 0.000) 1.655 8.310 ( 0.000 1.655 0.000) 1.655 8.446 ( 0.000 -3.494 0.000) 3.494 8.446 ( 0.000 3.494 -0.000) 3.494 8.703 ( 0.000 -5.326 0.000) 5.326 8.703 ( 0.000 5.326 0.000) 5.326 8.881 ( 0.000 -2.008 0.000) 2.008 8.881 ( 0.000 2.008 0.000) 2.008 9.034 ( 0.000 -0.270 0.000) 0.270 9.034 ( 0.000 0.270 0.000) 0.270 9.196 ( 0.000 -7.592 0.000) 7.592 9.196 ( 0.000 7.592 -0.000) 7.592 9.356 ( 0.000 -12.689 0.000) 12.689 9.356 ( 0.000 12.689 0.000) 12.689 9.505 ( 0.000 -8.000 0.000) 8.000 9.505 ( 0.000 8.000 0.000) 8.000 9.638 ( 0.000 -3.112 0.000) 3.112 9.638 ( 0.000 3.112 0.000) 3.112 9.826 ( 0.000 -1.737 0.000) 1.737 9.826 ( 0.000 1.737 -0.000) 1.737 9.940 ( 0.000 -2.702 0.000) 2.702 9.940 ( 0.000 2.702 0.000) 2.702 10.355 ( 0.000 -1.355 0.000) 1.355 10.355 ( 0.000 1.355 -0.000) 1.355 11.379 ( 0.000 -1.041 0.000) 1.041 11.379 ( 0.000 1.041 0.000) 1.041 11.831 ( 0.000 -1.494 0.000) 1.494 11.831 ( 0.000 1.494 0.000) 1.494 11.891 ( 0.000 -2.934 0.000) 2.934 11.891 ( 0.000 2.934 0.000) 2.934 12.004 ( 0.000 -0.297 -0.000) 0.297 12.004 ( 0.000 0.297 -0.000) 0.297 12.118 ( 0.000 -2.031 0.000) 2.031 12.118 ( 0.000 2.031 0.000) 2.031 12.532 ( 0.000 -0.410 0.000) 0.410 12.532 ( 0.000 0.410 0.000) 0.410 12.643 ( 0.000 -2.204 0.000) 2.204 12.643 ( 0.000 2.204 0.000) 2.204 12.834 ( 0.000 -4.143 -0.000) 4.143 12.834 ( 0.000 4.143 -0.000) 4.143 13.020 ( 0.000 -2.998 0.000) 2.998 13.020 ( 0.000 2.998 0.000) 2.998 13.126 ( 0.000 -2.300 0.000) 2.300 13.126 ( 0.000 2.300 0.000) 2.300 13.601 ( 0.000 -0.347 0.000) 0.347 13.601 ( 0.000 0.347 0.000) 0.347 13.839 ( 0.000 -1.624 0.000) 1.624 13.839 ( 0.000 1.624 0.000) 1.624 14.186 ( 0.000 -1.314 0.000) 1.314 14.186 ( 0.000 1.314 0.000) 1.314 14.253 ( 0.000 -5.270 -0.000) 5.270 14.253 ( 0.000 5.270 0.000) 5.270 14.617 ( 0.000 -1.424 0.000) 1.424 14.617 ( 0.000 1.424 0.000) 1.424 14.791 ( 0.000 -2.260 -0.000) 2.260 14.791 ( 0.000 2.260 0.000) 2.260 17.434 ( 0.000 -0.803 -0.000) 0.803 17.434 ( 0.000 0.803 0.000) 0.803 17.498 ( 0.000 -2.118 0.000) 2.118 17.498 ( 0.000 2.118 0.000) 2.118 17.838 ( 0.000 -2.755 0.000) 2.755 17.838 ( 0.000 2.755 0.000) 2.755 18.020 ( 0.000 -2.262 0.000) 2.262 18.020 ( 0.000 2.262 0.000) 2.262 18.398 ( 0.000 -0.416 0.000) 0.416 18.398 ( 0.000 0.416 0.000) 0.416 18.465 ( 0.000 -4.251 -0.000) 4.251 18.465 ( 0.000 4.251 0.000) 4.251 18.709 ( 0.000 -0.221 0.000) 0.221 18.709 ( 0.000 0.221 0.000) 0.221 18.888 ( 0.000 -1.370 0.000) 1.370 18.888 ( 0.000 1.370 0.000) 1.370 19.844 ( 0.000 -3.050 0.000) 3.050 19.844 ( 0.000 3.050 0.000) 3.050 19.955 ( 0.000 -0.596 -0.000) 0.596 19.955 ( 0.000 0.596 -0.000) 0.596 20.108 ( 0.000 -6.112 0.000) 6.112 20.108 ( 0.000 6.112 -0.000) 6.112 20.366 ( 0.000 -1.980 0.000) 1.980 20.366 ( 0.000 1.980 0.000) 1.980 20.553 ( 0.000 -3.941 0.000) 3.941 20.553 ( 0.000 3.941 -0.000) 3.941 20.732 ( 0.000 -3.454 0.000) 3.454 20.732 ( 0.000 3.454 -0.000) 3.454 21.002 ( 0.000 -2.123 0.000) 2.123 21.002 ( 0.000 2.123 0.000) 2.123 21.245 ( 0.000 -4.073 0.000) 4.073 21.245 ( 0.000 4.073 0.000) 4.073 24.494 ( 0.000 -0.644 -0.000) 0.644 24.494 ( 0.000 0.644 0.000) 0.644 24.579 ( 0.000 -0.756 0.000) 0.756 24.579 ( 0.000 0.756 0.000) 0.756 24.976 ( 0.000 -0.745 0.000) 0.745 24.976 ( 0.000 0.745 0.000) 0.745 25.115 ( 0.000 -1.433 0.000) 1.433 25.115 ( 0.000 1.433 0.000) 1.433 28.538 ( -0.000 -0.428 0.000) 0.428 28.538 ( 0.000 0.428 -0.000) 0.428 28.552 ( -0.000 -0.137 0.000) 0.137 28.552 ( 0.000 0.137 0.000) 0.137 28.596 ( 0.000 -0.114 0.000) 0.114 28.596 ( 0.000 0.114 0.000) 0.114 28.675 ( 0.000 -1.289 0.000) 1.289 28.675 ( 0.000 1.289 0.000) 1.289 35.333 ( 0.000 -3.925 0.000) 3.925 35.333 ( 0.000 3.925 0.000) 3.925 36.075 ( 0.000 -10.789 0.000) 10.789 36.075 ( 0.000 10.789 0.000) 10.789 36.324 ( 0.000 -4.552 0.000) 4.552 36.324 ( 0.000 4.552 -0.000) 4.552 37.078 ( 0.000 -12.092 -0.000) 12.092 37.078 ( 0.000 12.092 0.000) 12.092 37.609 ( 0.000 -1.178 0.000) 1.178 37.609 ( 0.000 1.178 0.000) 1.178 38.005 ( 0.000 -3.555 0.000) 3.555 38.005 ( 0.000 3.555 0.000) 3.555 38.242 ( 0.000 -4.547 0.000) 4.547 38.242 ( 0.000 4.547 0.000) 4.547 38.669 ( 0.000 -10.594 -0.000) 10.594 38.669 ( 0.000 10.594 0.000) 10.594 38.762 ( 0.000 -4.752 0.000) 4.752 38.762 ( 0.000 4.752 -0.000) 4.752 39.096 ( -0.000 -2.243 -0.000) 2.243 39.096 ( 0.000 2.243 0.000) 2.243 39.332 ( 0.000 -2.866 0.000) 2.866 39.332 ( 0.000 2.866 0.000) 2.866 39.419 ( 0.000 -0.052 0.000) 0.052 39.419 ( 0.000 0.052 0.000) 0.052 39.597 ( 0.000 -2.325 -0.000) 2.325 39.597 ( -0.000 2.325 0.000) 2.325 39.883 ( 0.000 -12.294 0.000) 12.294 39.883 ( 0.000 12.294 0.000) 12.294 40.449 ( 0.000 -6.690 0.000) 6.690 40.449 ( 0.000 6.690 -0.000) 6.690 40.952 ( 0.000 -2.842 0.000) 2.842 40.952 ( 0.000 2.842 0.000) 2.842 ======================= Grid point 25 (10/66) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 14.190 0.000 20.762) 25.148 0.515 ( -5.996 0.000 26.281) 26.957 0.864 ( 2.461 0.000 42.253) 42.324 1.529 ( -7.360 0.000 -0.024) 7.360 1.613 ( -10.780 0.000 0.664) 10.800 1.664 ( -4.891 0.000 1.941) 5.262 1.675 ( -3.068 0.000 3.790) 4.876 1.788 ( -5.636 0.000 -4.976) 7.518 1.918 ( 2.374 0.000 2.608) 3.527 2.042 ( 5.249 0.000 2.670) 5.890 2.052 ( 0.098 0.000 -4.244) 4.245 2.067 ( 3.480 0.000 -0.272) 3.490 2.242 ( -0.328 0.000 1.352) 1.392 2.291 ( 0.345 0.000 -1.024) 1.080 2.329 ( 1.823 0.000 2.754) 3.303 2.540 ( 2.019 0.000 -1.773) 2.687 2.594 ( -1.897 0.000 1.262) 2.278 2.641 ( -0.723 0.000 -0.819) 1.093 2.663 ( 0.246 0.000 -0.354) 0.432 2.827 ( -0.730 0.000 6.866) 6.904 2.843 ( -9.805 0.000 0.715) 9.831 3.053 ( -1.546 0.000 -0.303) 1.576 3.092 ( -5.178 0.000 -1.340) 5.348 3.154 ( -3.101 0.000 3.744) 4.861 3.297 ( 2.521 0.000 -3.212) 4.083 3.409 ( 14.243 0.000 0.796) 14.265 3.509 ( 3.970 0.000 6.525) 7.638 3.723 ( 0.783 0.000 1.604) 1.785 3.835 ( -3.041 0.000 0.392) 3.066 3.964 ( 0.819 0.000 8.081) 8.122 3.973 ( 2.830 0.000 -0.794) 2.939 4.025 ( -16.639 0.000 7.734) 18.348 4.165 ( 4.449 0.000 8.857) 9.911 4.237 ( -1.431 0.000 6.624) 6.777 4.346 ( 0.338 0.000 2.232) 2.257 4.387 ( 2.150 0.000 -0.671) 2.253 4.503 ( -2.928 0.000 5.827) 6.521 4.623 ( 3.116 0.000 -6.449) 7.162 4.680 ( -9.001 0.000 3.591) 9.691 4.696 ( 5.337 0.000 2.946) 6.096 4.919 ( 2.143 0.000 5.111) 5.542 4.925 ( -2.379 0.000 0.019) 2.379 5.012 ( 10.444 0.000 -4.505) 11.374 5.016 ( 1.062 0.000 3.064) 3.242 5.103 ( -3.761 0.000 2.848) 4.718 5.190 ( 1.574 0.000 -5.086) 5.324 5.389 ( -3.656 0.000 4.123) 5.510 5.406 ( 9.195 0.000 -5.244) 10.585 5.425 ( -16.493 0.000 -0.322) 16.497 5.471 ( 1.291 0.000 0.208) 1.308 5.515 ( 5.750 0.000 3.956) 6.979 5.713 ( -4.294 0.000 -0.956) 4.399 5.783 ( -2.592 0.000 5.974) 6.512 5.787 ( -0.064 0.000 -0.678) 0.681 5.808 ( 0.752 0.000 0.129) 0.763 6.007 ( 0.124 0.000 -3.439) 3.442 6.152 ( 4.391 0.000 -4.847) 6.540 6.230 ( 26.363 0.000 6.156) 27.072 6.244 ( -5.120 0.000 -1.150) 5.248 6.403 ( 2.682 0.000 0.397) 2.711 6.504 ( -0.830 0.000 2.573) 2.703 6.514 ( -1.694 0.000 3.537) 3.921 6.708 ( -2.335 0.000 2.037) 3.099 6.864 ( -2.351 0.000 -2.485) 3.421 6.900 ( 9.862 0.000 -6.828) 11.995 7.055 ( 0.590 0.000 -1.032) 1.189 7.119 ( -0.097 0.000 -1.566) 1.569 7.123 ( -8.382 0.000 4.390) 9.462 7.153 ( 4.786 0.000 2.597) 5.445 7.174 ( 10.266 0.000 -0.415) 10.275 7.418 ( -16.290 0.000 3.803) 16.728 7.459 ( 0.769 0.000 -3.398) 3.484 7.542 ( -2.503 0.000 6.079) 6.574 7.645 ( 0.632 0.000 -1.042) 1.219 7.678 ( 1.116 0.000 -1.272) 1.692 7.811 ( 9.622 0.000 -0.376) 9.629 7.848 ( 5.096 0.000 -4.105) 6.544 7.932 ( -7.355 0.000 -0.926) 7.413 8.050 ( -0.467 0.000 3.955) 3.982 8.176 ( 0.034 0.000 -1.916) 1.916 8.242 ( 0.191 0.000 -3.791) 3.796 8.354 ( 4.726 0.000 -3.172) 5.692 8.472 ( -2.115 0.000 -5.239) 5.650 8.590 ( 4.118 0.000 6.330) 7.552 8.712 ( -3.522 0.000 -1.555) 3.850 8.826 ( 1.032 0.000 -4.379) 4.499 8.833 ( 1.379 0.000 1.441) 1.995 8.860 ( -2.748 0.000 -3.119) 4.157 8.893 ( 0.450 0.000 6.176) 6.192 8.967 ( -0.968 0.000 -0.652) 1.166 9.088 ( 0.164 0.000 4.471) 4.474 9.171 ( 1.159 0.000 0.137) 1.168 9.191 ( -10.320 0.000 -0.231) 10.323 9.323 ( 8.779 0.000 -2.304) 9.076 9.474 ( -5.971 0.000 -1.814) 6.240 9.616 ( 9.581 0.000 -5.561) 11.078 9.650 ( -1.787 0.000 -9.930) 10.090 9.718 ( -3.731 0.000 -0.920) 3.843 9.805 ( -0.359 0.000 -1.925) 1.958 9.932 ( 0.221 0.000 1.198) 1.219 10.042 ( 0.909 0.000 3.372) 3.492 10.066 ( 2.364 0.000 -3.983) 4.631 10.236 ( 2.741 0.000 -5.684) 6.310 10.254 ( 1.158 0.000 -1.429) 1.839 11.416 ( -0.365 0.000 -0.781) 0.862 11.453 ( 0.977 0.000 0.185) 0.994 11.621 ( 3.533 0.000 0.254) 3.542 11.774 ( -5.671 0.000 1.956) 5.998 11.873 ( 2.033 0.000 -1.476) 2.512 11.896 ( -1.522 0.000 0.341) 1.560 11.975 ( -2.653 0.000 1.753) 3.180 12.044 ( 1.124 0.000 1.137) 1.599 12.101 ( -2.414 0.000 6.522) 6.955 12.279 ( -1.563 0.000 0.592) 1.671 12.342 ( 1.314 0.000 2.272) 2.624 12.407 ( -6.552 0.000 5.357) 8.463 12.671 ( -1.109 0.000 4.163) 4.308 12.703 ( 1.251 0.000 -3.009) 3.259 12.815 ( -1.653 0.000 1.400) 2.166 12.908 ( -1.480 0.000 -3.060) 3.399 13.041 ( 0.082 0.000 2.301) 2.302 13.080 ( -2.640 0.000 0.932) 2.799 13.242 ( -0.649 0.000 -1.654) 1.777 13.417 ( 2.974 0.000 -3.869) 4.880 13.618 ( 5.579 0.000 -3.941) 6.831 13.689 ( 4.080 0.000 -3.769) 5.555 13.764 ( -0.781 0.000 -0.368) 0.864 13.841 ( 26.253 0.000 -2.375) 26.360 14.244 ( -1.644 0.000 2.749) 3.203 14.315 ( 3.605 0.000 -1.065) 3.759 14.353 ( -10.214 0.000 -1.380) 10.307 14.409 ( -0.035 0.000 0.841) 0.842 14.543 ( -0.603 0.000 0.814) 1.013 14.619 ( 3.187 0.000 1.705) 3.614 14.755 ( -1.894 0.000 1.257) 2.274 14.786 ( 4.884 0.000 3.835) 6.210 17.466 ( -0.184 0.000 0.160) 0.244 17.489 ( -0.803 0.000 0.600) 1.003 17.558 ( 1.896 0.000 1.169) 2.227 17.629 ( -28.680 0.000 2.427) 28.783 17.769 ( -2.587 0.000 1.245) 2.871 17.836 ( -4.472 0.000 -0.136) 4.474 17.936 ( -3.817 0.000 0.911) 3.925 18.002 ( -13.417 0.000 0.261) 13.419 18.303 ( 3.911 0.000 0.955) 4.025 18.385 ( 1.009 0.000 1.309) 1.653 18.482 ( 0.942 0.000 2.040) 2.247 18.561 ( -0.468 0.000 0.235) 0.524 18.765 ( -0.460 0.000 -0.129) 0.478 18.806 ( 0.692 0.000 0.734) 1.009 18.812 ( 1.746 0.000 -0.097) 1.749 18.921 ( 3.551 0.000 -3.620) 5.071 19.408 ( -0.545 0.000 1.017) 1.154 19.767 ( -0.046 0.000 0.043) 0.063 19.923 ( 0.182 0.000 0.445) 0.481 19.956 ( 0.155 0.000 -1.062) 1.073 19.969 ( 0.077 0.000 -0.184) 0.199 20.176 ( 2.370 0.000 -6.767) 7.170 20.323 ( -0.284 0.000 -0.384) 0.477 20.404 ( -0.830 0.000 4.600) 4.674 20.505 ( -0.029 0.000 0.112) 0.116 20.562 ( 0.377 0.000 -3.829) 3.848 20.680 ( -0.228 0.000 0.703) 0.740 20.740 ( -0.356 0.000 0.909) 0.977 20.912 ( 0.519 0.000 -1.275) 1.377 21.110 ( -2.010 0.000 -1.835) 2.721 21.182 ( 0.410 0.000 0.263) 0.487 21.331 ( 0.634 0.000 -3.841) 3.893 24.491 ( 2.029 0.000 0.849) 2.200 24.545 ( -0.114 0.000 2.722) 2.725 24.566 ( 0.624 0.000 -0.290) 0.688 24.611 ( -0.088 0.000 0.760) 0.765 24.968 ( -0.130 0.000 -0.198) 0.236 25.066 ( 0.353 0.000 -1.016) 1.075 25.089 ( 5.806 0.000 0.294) 5.813 25.114 ( -0.702 0.000 0.483) 0.851 28.463 ( 0.086 0.000 -0.163) 0.184 28.502 ( -1.931 0.000 -0.174) 1.939 28.532 ( 1.326 0.000 -1.266) 1.833 28.578 ( -0.435 0.000 -0.918) 1.016 28.612 ( -0.627 0.000 -0.036) 0.628 28.615 ( -0.106 0.000 -1.089) 1.094 28.677 ( 0.011 0.000 -0.442) 0.443 28.685 ( 0.537 0.000 -0.644) 0.838 35.277 ( -0.020 0.000 0.998) 0.999 35.380 ( -0.683 0.000 -0.348) 0.767 35.667 ( -3.963 0.000 -2.155) 4.511 35.787 ( -45.267 0.000 -2.856) 45.357 36.247 ( -0.908 0.000 0.556) 1.064 36.554 ( 0.237 0.000 -5.256) 5.261 36.572 ( 1.790 0.000 -0.779) 1.952 37.472 ( 1.391 0.000 4.983) 5.173 37.555 ( 0.096 0.000 0.519) 0.528 37.854 ( -21.386 0.000 -1.757) 21.458 37.889 ( -0.803 0.000 -1.173) 1.422 38.048 ( 0.736 0.000 -0.733) 1.038 38.183 ( -1.590 0.000 2.305) 2.800 38.243 ( 2.301 0.000 -4.386) 4.953 38.446 ( -0.381 0.000 4.070) 4.088 38.571 ( 0.287 0.000 -0.344) 0.448 38.840 ( 1.161 0.000 -12.154) 12.209 38.906 ( 1.614 0.000 1.229) 2.029 38.951 ( 0.092 0.000 -1.060) 1.064 39.049 ( -0.629 0.000 -1.144) 1.306 39.303 ( 1.363 0.000 -1.170) 1.797 39.403 ( 2.966 0.000 0.966) 3.119 39.470 ( -3.580 0.000 1.006) 3.719 39.487 ( -1.932 0.000 2.450) 3.120 39.519 ( -0.591 0.000 11.682) 11.697 39.539 ( -2.425 0.000 -3.996) 4.674 39.793 ( -0.688 0.000 7.706) 7.737 39.909 ( 7.262 0.000 2.404) 7.650 40.350 ( -1.259 0.000 7.088) 7.199 40.405 ( 3.115 0.000 -3.523) 4.703 41.163 ( 5.453 0.000 -8.962) 10.491 41.613 ( 27.975 0.000 -3.834) 28.237 ======================= Grid point 26 (11/66) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 18.109 0.000 16.618) 24.578 0.890 ( 23.694 0.000 11.477) 26.327 1.244 ( -18.896 0.000 -5.879) 19.789 1.341 ( -14.797 0.000 -10.150) 17.944 1.480 ( 33.869 0.000 23.008) 40.945 1.614 ( 0.629 0.000 -0.178) 0.654 1.726 ( 1.081 0.000 2.694) 2.903 1.731 ( 6.616 0.000 1.426) 6.768 1.947 ( -1.920 0.000 2.294) 2.992 2.004 ( -2.689 0.000 -0.298) 2.706 2.080 ( 1.189 0.000 -3.118) 3.337 2.175 ( 5.962 0.000 -0.011) 5.962 2.265 ( 0.526 0.000 0.928) 1.066 2.300 ( 4.358 0.000 0.029) 4.358 2.362 ( 2.463 0.000 0.151) 2.467 2.512 ( -6.021 0.000 2.306) 6.447 2.525 ( -2.484 0.000 -2.339) 3.413 2.571 ( 1.618 0.000 -0.464) 1.683 2.618 ( -4.929 0.000 -1.245) 5.084 2.889 ( 3.524 0.000 6.585) 7.469 2.922 ( -11.753 0.000 0.496) 11.763 3.013 ( 13.811 0.000 1.905) 13.941 3.048 ( -0.727 0.000 -1.448) 1.620 3.146 ( 3.317 0.000 1.369) 3.588 3.352 ( 0.826 0.000 0.843) 1.180 3.467 ( -4.167 0.000 3.207) 5.258 3.556 ( -1.360 0.000 2.653) 2.981 3.624 ( -8.969 0.000 -0.959) 9.020 3.848 ( 1.455 0.000 3.858) 4.123 3.904 ( -0.877 0.000 7.483) 7.534 3.979 ( -1.647 0.000 0.643) 1.768 4.029 ( 2.036 0.000 7.785) 8.047 4.170 ( -9.632 0.000 9.789) 13.733 4.251 ( 2.430 0.000 6.398) 6.844 4.329 ( -3.942 0.000 3.233) 5.098 4.392 ( 1.549 0.000 4.858) 5.099 4.511 ( -3.925 0.000 6.731) 7.792 4.588 ( -3.674 0.000 1.238) 3.877 4.695 ( -8.744 0.000 9.880) 13.193 4.695 ( 12.239 0.000 2.396) 12.471 4.940 ( 1.012 0.000 -1.788) 2.054 4.946 ( -0.684 0.000 2.381) 2.477 5.004 ( -4.122 0.000 2.275) 4.708 5.088 ( 1.214 0.000 2.472) 2.754 5.146 ( -1.561 0.000 1.256) 2.004 5.300 ( 7.169 0.000 -4.249) 8.333 5.321 ( 6.665 0.000 -5.432) 8.598 5.361 ( 3.819 0.000 4.208) 5.683 5.427 ( 1.479 0.000 0.198) 1.492 5.493 ( 0.713 0.000 -1.046) 1.266 5.630 ( -1.711 0.000 -2.049) 2.669 5.699 ( 0.238 0.000 1.578) 1.596 5.708 ( -4.354 0.000 0.386) 4.372 5.749 ( -3.010 0.000 -1.670) 3.443 5.817 ( 2.164 0.000 1.476) 2.620 5.983 ( 3.528 0.000 1.195) 3.725 6.130 ( -3.866 0.000 -4.086) 5.625 6.240 ( 2.475 0.000 0.349) 2.500 6.248 ( -7.275 0.000 2.414) 7.666 6.403 ( -7.353 0.000 -1.353) 7.477 6.405 ( -0.236 0.000 -2.667) 2.677 6.502 ( -3.223 0.000 3.453) 4.724 6.690 ( -3.114 0.000 -8.432) 8.989 6.706 ( -6.411 0.000 1.284) 6.539 6.910 ( -7.372 0.000 0.094) 7.373 7.005 ( 2.001 0.000 -7.183) 7.457 7.112 ( -3.898 0.000 3.878) 5.499 7.201 ( -1.969 0.000 4.875) 5.258 7.208 ( 1.659 0.000 0.647) 1.780 7.317 ( 6.343 0.000 -7.019) 9.461 7.413 ( -6.000 0.000 3.109) 6.757 7.478 ( 2.543 0.000 2.842) 3.813 7.512 ( -5.707 0.000 -0.833) 5.767 7.650 ( -0.516 0.000 -1.713) 1.789 7.680 ( 19.588 0.000 -13.157) 23.597 7.843 ( -2.638 0.000 2.074) 3.356 7.909 ( -0.783 0.000 -4.535) 4.602 8.090 ( 2.597 0.000 4.137) 4.884 8.119 ( 6.174 0.000 -5.921) 8.554 8.261 ( 2.711 0.000 -2.061) 3.406 8.304 ( 13.395 0.000 -0.254) 13.398 8.399 ( 0.274 0.000 -3.573) 3.583 8.585 ( 9.552 0.000 3.892) 10.314 8.683 ( 3.702 0.000 -6.420) 7.411 8.745 ( 4.591 0.000 4.123) 6.171 8.783 ( -3.069 0.000 -2.729) 4.107 8.808 ( 0.935 0.000 -2.682) 2.841 8.847 ( 1.040 0.000 -0.212) 1.061 8.912 ( -2.697 0.000 -2.039) 3.381 8.917 ( -2.699 0.000 5.575) 6.194 9.066 ( -6.152 0.000 4.155) 7.424 9.132 ( -0.032 0.000 1.405) 1.405 9.201 ( 2.290 0.000 1.165) 2.569 9.269 ( -6.490 0.000 -2.053) 6.807 9.514 ( 7.943 0.000 -7.631) 11.015 9.569 ( -0.100 0.000 -12.124) 12.124 9.737 ( 4.886 0.000 -3.754) 6.161 9.815 ( 2.356 0.000 -2.415) 3.373 9.895 ( -3.537 0.000 3.255) 4.806 9.901 ( 13.194 0.000 -15.442) 20.311 10.025 ( -3.638 0.000 1.908) 4.108 10.059 ( -2.290 0.000 -1.636) 2.815 10.221 ( 2.575 0.000 -9.795) 10.128 10.293 ( 2.793 0.000 -6.617) 7.182 11.414 ( 0.044 0.000 1.249) 1.250 11.471 ( 0.760 0.000 -1.781) 1.936 11.666 ( -3.533 0.000 2.539) 4.351 11.738 ( 5.754 0.000 -1.636) 5.982 11.864 ( -1.426 0.000 0.303) 1.458 11.909 ( 1.748 0.000 -1.580) 2.356 11.950 ( -0.431 0.000 1.164) 1.242 12.079 ( 1.679 0.000 0.168) 1.688 12.085 ( -1.880 0.000 6.870) 7.122 12.255 ( -0.757 0.000 0.753) 1.068 12.319 ( -4.644 0.000 10.921) 11.868 12.360 ( -0.646 0.000 2.742) 2.817 12.670 ( -0.435 0.000 3.920) 3.944 12.732 ( 2.233 0.000 -4.054) 4.628 12.760 ( -5.221 0.000 6.517) 8.350 12.888 ( 0.409 0.000 -1.361) 1.421 13.006 ( -3.795 0.000 -0.650) 3.850 13.070 ( 3.336 0.000 0.534) 3.379 13.207 ( -2.336 0.000 -1.911) 3.018 13.279 ( -13.232 0.000 9.106) 16.063 13.610 ( -0.454 0.000 -3.144) 3.177 13.694 ( -2.650 0.000 -1.095) 2.868 13.793 ( 4.091 0.000 -2.660) 4.879 13.831 ( -8.090 0.000 0.796) 8.129 14.175 ( -3.137 0.000 2.084) 3.766 14.237 ( -6.964 0.000 2.322) 7.341 14.405 ( -7.359 0.000 3.433) 8.120 14.446 ( 7.746 0.000 0.663) 7.775 14.544 ( 4.834 0.000 -2.156) 5.293 14.618 ( -3.181 0.000 7.011) 7.699 14.806 ( 4.276 0.000 0.974) 4.385 14.856 ( -0.423 0.000 3.912) 3.935 17.426 ( 7.291 0.000 -4.198) 8.413 17.431 ( -2.173 0.000 0.346) 2.200 17.500 ( 0.245 0.000 1.602) 1.620 17.555 ( -3.421 0.000 3.122) 4.631 17.786 ( -1.824 0.000 -0.952) 2.057 17.799 ( 5.325 0.000 -1.519) 5.537 17.918 ( 2.237 0.000 -1.921) 2.948 18.047 ( 6.166 0.000 -2.527) 6.664 18.386 ( -1.952 0.000 2.074) 2.848 18.404 ( 5.183 0.000 0.118) 5.184 18.478 ( -2.061 0.000 3.504) 4.065 18.554 ( -0.949 0.000 0.497) 1.072 18.761 ( 0.367 0.000 0.127) 0.388 18.844 ( 2.716 0.000 -7.969) 8.419 18.847 ( 1.993 0.000 0.938) 2.203 18.977 ( 3.031 0.000 -1.707) 3.479 19.399 ( -0.586 0.000 1.003) 1.161 19.765 ( -0.183 0.000 0.082) 0.201 19.926 ( -0.122 0.000 0.449) 0.465 19.962 ( 0.448 0.000 -0.761) 0.883 19.971 ( 0.669 0.000 -1.195) 1.369 20.185 ( 1.516 0.000 -6.428) 6.604 20.340 ( 1.926 0.000 -0.834) 2.099 20.407 ( -0.723 0.000 3.794) 3.862 20.504 ( -0.044 0.000 0.100) 0.109 20.535 ( -0.843 0.000 -2.705) 2.834 20.678 ( -0.225 0.000 0.818) 0.848 20.754 ( 1.464 0.000 0.556) 1.566 20.883 ( -2.759 0.000 -0.600) 2.824 21.039 ( -2.681 0.000 0.508) 2.729 21.185 ( -0.054 0.000 0.427) 0.431 21.324 ( 0.493 0.000 -3.782) 3.814 24.514 ( -0.410 0.000 1.789) 1.835 24.533 ( -0.853 0.000 0.795) 1.166 24.569 ( -0.369 0.000 0.162) 0.403 24.608 ( -0.449 0.000 0.670) 0.807 24.961 ( -0.337 0.000 -0.226) 0.405 25.050 ( -0.751 0.000 -1.190) 1.408 25.104 ( -2.635 0.000 2.760) 3.816 25.131 ( 1.443 0.000 0.309) 1.476 28.488 ( 2.599 0.000 -0.774) 2.712 28.513 ( 2.029 0.000 0.424) 2.073 28.542 ( -0.280 0.000 -1.414) 1.441 28.560 ( -0.529 0.000 0.194) 0.563 28.597 ( -0.917 0.000 -1.081) 1.418 28.609 ( 0.646 0.000 -0.915) 1.121 28.649 ( -2.412 0.000 -0.438) 2.451 28.697 ( 0.675 0.000 -0.694) 0.968 35.262 ( -1.249 0.000 1.306) 1.807 35.420 ( 3.821 0.000 -1.359) 4.056 35.667 ( 8.074 0.000 -8.171) 11.487 36.019 ( 33.377 0.000 -22.565) 40.289 36.239 ( 0.045 0.000 0.176) 0.181 36.500 ( -2.721 0.000 -3.716) 4.606 36.578 ( -1.249 0.000 0.644) 1.406 37.548 ( -0.783 0.000 0.344) 0.855 37.580 ( 1.342 0.000 5.388) 5.552 37.774 ( 6.770 0.000 9.228) 11.445 37.879 ( 0.569 0.000 -1.433) 1.542 38.055 ( 0.213 0.000 -1.014) 1.037 38.158 ( -0.952 0.000 -0.262) 0.987 38.279 ( 1.835 0.000 -0.578) 1.924 38.451 ( -0.761 0.000 3.905) 3.978 38.573 ( -0.068 0.000 0.028) 0.074 38.819 ( 1.987 0.000 -12.139) 12.300 38.937 ( 0.129 0.000 -1.565) 1.570 38.944 ( 1.391 0.000 2.180) 2.586 39.126 ( 4.956 0.000 0.355) 4.969 39.237 ( -5.560 0.000 -0.429) 5.577 39.419 ( -1.895 0.000 2.607) 3.223 39.458 ( -0.020 0.000 -1.980) 1.980 39.492 ( 1.249 0.000 2.694) 2.969 39.496 ( 1.454 0.000 1.958) 2.439 39.602 ( 2.983 0.000 8.214) 8.739 39.803 ( -1.897 0.000 7.978) 8.200 39.989 ( 2.318 0.000 -3.830) 4.477 40.346 ( -2.086 0.000 7.301) 7.593 40.454 ( 2.705 0.000 -0.531) 2.756 41.004 ( -7.940 0.000 -23.322) 24.636 41.788 ( -4.312 0.000 -0.770) 4.380 ======================= Grid point 27 (12/66) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -22.103 0.000 -4.952) 22.651 0.907 ( -23.124 0.000 -7.255) 24.236 1.226 ( 15.694 0.000 12.321) 19.953 1.355 ( 18.735 0.000 6.906) 19.968 1.670 ( 3.846 0.000 -1.364) 4.081 1.727 ( -0.486 0.000 2.495) 2.541 1.784 ( -1.815 0.000 -1.387) 2.284 1.924 ( -1.571 0.000 -0.117) 1.575 2.008 ( -3.532 0.000 -3.019) 4.646 2.017 ( 5.124 0.000 5.275) 7.354 2.138 ( 10.723 0.000 0.181) 10.725 2.240 ( -3.348 0.000 -1.152) 3.540 2.298 ( -1.006 0.000 -2.237) 2.452 2.396 ( -3.341 0.000 1.247) 3.566 2.405 ( -6.014 0.000 1.063) 6.107 2.432 ( 0.375 0.000 2.556) 2.583 2.505 ( 1.666 0.000 0.771) 1.836 2.505 ( -0.113 0.000 2.083) 2.086 2.598 ( 0.752 0.000 0.816) 1.110 2.615 ( -4.643 0.000 2.101) 5.096 2.906 ( -4.530 0.000 1.600) 4.804 3.072 ( 4.082 0.000 3.678) 5.494 3.247 ( -7.690 0.000 2.440) 8.068 3.280 ( 5.463 0.000 0.505) 5.486 3.306 ( 8.246 0.000 -1.044) 8.312 3.391 ( -2.968 0.000 1.278) 3.232 3.449 ( -5.024 0.000 -0.593) 5.059 3.598 ( 1.763 0.000 9.595) 9.755 3.876 ( -0.395 0.000 5.573) 5.587 3.891 ( -4.008 0.000 -1.737) 4.368 3.958 ( 2.067 0.000 4.685) 5.120 4.048 ( -3.780 0.000 4.490) 5.869 4.105 ( 1.642 0.000 6.235) 6.448 4.276 ( -2.339 0.000 3.040) 3.835 4.378 ( 4.845 0.000 9.708) 10.850 4.419 ( -1.907 0.000 12.069) 12.219 4.483 ( -9.389 0.000 -0.804) 9.423 4.496 ( -0.339 0.000 8.084) 8.091 4.548 ( -2.111 0.000 5.361) 5.762 4.844 ( -4.646 0.000 0.646) 4.690 4.929 ( -3.730 0.000 1.537) 4.034 4.966 ( 4.502 0.000 2.545) 5.172 4.988 ( 2.287 0.000 0.484) 2.338 5.055 ( -7.974 0.000 4.769) 9.292 5.162 ( 3.830 0.000 4.719) 6.078 5.240 ( -4.206 0.000 0.139) 4.208 5.351 ( -0.907 0.000 -1.560) 1.804 5.454 ( 0.813 0.000 -0.837) 1.167 5.487 ( 1.734 0.000 0.832) 1.923 5.567 ( 0.329 0.000 -1.057) 1.107 5.636 ( -0.926 0.000 2.023) 2.225 5.669 ( 3.741 0.000 -1.980) 4.233 5.701 ( -3.211 0.000 -3.953) 5.092 5.717 ( 4.526 0.000 -0.528) 4.557 5.851 ( 2.505 0.000 5.885) 6.396 6.040 ( -3.150 0.000 -1.379) 3.439 6.066 ( 0.950 0.000 1.312) 1.620 6.161 ( -1.361 0.000 -0.851) 1.605 6.261 ( 4.500 0.000 -0.132) 4.502 6.338 ( -2.583 0.000 -4.074) 4.823 6.410 ( 5.147 0.000 2.989) 5.952 6.530 ( 1.037 0.000 3.472) 3.624 6.560 ( -1.205 0.000 -14.465) 14.515 6.714 ( 5.663 0.000 1.214) 5.792 6.783 ( -6.025 0.000 1.348) 6.174 6.974 ( -0.202 0.000 -6.104) 6.108 7.063 ( -0.349 0.000 2.135) 2.163 7.123 ( -6.312 0.000 1.642) 6.522 7.223 ( -1.061 0.000 3.636) 3.788 7.347 ( -3.842 0.000 3.810) 5.411 7.389 ( 4.204 0.000 -5.482) 6.908 7.500 ( 6.793 0.000 -6.302) 9.266 7.561 ( -2.510 0.000 2.967) 3.886 7.614 ( 1.402 0.000 -4.193) 4.421 7.691 ( -7.095 0.000 -0.012) 7.095 7.878 ( 3.940 0.000 -3.321) 5.153 7.912 ( 1.606 0.000 -6.245) 6.449 8.125 ( -0.347 0.000 -3.539) 3.555 8.138 ( 0.141 0.000 3.642) 3.644 8.290 ( -0.592 0.000 -0.273) 0.652 8.363 ( -1.001 0.000 -1.045) 1.447 8.535 ( 0.587 0.000 0.560) 0.811 8.646 ( -2.931 0.000 -1.653) 3.365 8.729 ( 3.064 0.000 -5.693) 6.465 8.731 ( -1.974 0.000 -3.068) 3.648 8.771 ( 3.687 0.000 2.105) 4.246 8.839 ( -2.348 0.000 0.741) 2.462 8.875 ( 1.693 0.000 -5.299) 5.563 8.911 ( 1.129 0.000 0.029) 1.129 8.941 ( 5.451 0.000 6.001) 8.107 8.958 ( -3.531 0.000 0.703) 3.600 9.103 ( -1.618 0.000 1.156) 1.989 9.186 ( 0.243 0.000 0.614) 0.661 9.216 ( -2.426 0.000 3.413) 4.188 9.591 ( 6.560 0.000 -9.077) 11.200 9.610 ( 4.700 0.000 -14.670) 15.405 9.814 ( 1.990 0.000 -5.851) 6.181 9.836 ( -0.947 0.000 -1.567) 1.831 9.889 ( 3.872 0.000 -3.675) 5.338 9.912 ( -1.030 0.000 -2.993) 3.166 9.951 ( -3.038 0.000 0.570) 3.091 9.997 ( -2.776 0.000 4.230) 5.060 10.254 ( 3.536 0.000 -13.391) 13.850 10.309 ( 2.135 0.000 -13.736) 13.901 11.425 ( 0.245 0.000 2.144) 2.158 11.463 ( -0.451 0.000 -2.956) 2.990 11.612 ( -2.196 0.000 0.587) 2.273 11.844 ( 3.654 0.000 0.273) 3.664 11.845 ( -0.542 0.000 0.085) 0.549 11.926 ( 0.578 0.000 -1.384) 1.500 11.963 ( 1.036 0.000 1.826) 2.099 12.092 ( -0.680 0.000 8.787) 8.813 12.094 ( -0.159 0.000 -1.541) 1.549 12.261 ( 0.782 0.000 1.454) 1.651 12.318 ( -0.912 0.000 14.138) 14.167 12.341 ( -2.334 0.000 3.252) 4.003 12.679 ( -2.605 0.000 5.851) 6.405 12.708 ( -0.214 0.000 6.656) 6.659 12.730 ( -0.159 0.000 -4.445) 4.448 12.924 ( 2.773 0.000 1.701) 3.253 12.928 ( -3.655 0.000 -2.083) 4.207 13.128 ( -4.971 0.000 -1.695) 5.252 13.133 ( -3.629 0.000 5.820) 6.859 13.173 ( 5.715 0.000 -0.462) 5.734 13.583 ( -0.871 0.000 -5.318) 5.388 13.637 ( -1.350 0.000 -2.815) 3.122 13.754 ( -1.303 0.000 -2.390) 2.722 13.831 ( 0.169 0.000 -3.552) 3.556 14.146 ( -0.125 0.000 1.769) 1.774 14.150 ( -1.501 0.000 0.674) 1.645 14.288 ( -2.742 0.000 3.018) 4.078 14.532 ( 0.493 0.000 4.980) 5.005 14.575 ( -3.179 0.000 2.738) 4.196 14.613 ( 1.456 0.000 -0.764) 1.644 14.843 ( -3.163 0.000 6.657) 7.370 14.862 ( 0.083 0.000 2.238) 2.240 17.416 ( 0.597 0.000 -0.101) 0.606 17.484 ( 0.274 0.000 -0.280) 0.392 17.497 ( -2.490 0.000 2.822) 3.763 17.580 ( 6.382 0.000 -2.251) 6.768 17.771 ( 0.931 0.000 0.283) 0.973 17.896 ( 2.519 0.000 -1.277) 2.824 17.977 ( 3.886 0.000 -0.762) 3.961 18.155 ( 5.553 0.000 -2.525) 6.100 18.341 ( -2.222 0.000 1.436) 2.646 18.448 ( -2.254 0.000 3.680) 4.315 18.465 ( -0.015 0.000 -0.424) 0.424 18.565 ( 2.609 0.000 3.015) 3.987 18.769 ( 0.040 0.000 0.445) 0.447 18.857 ( 2.360 0.000 -8.527) 8.848 18.866 ( -0.671 0.000 0.711) 0.977 19.010 ( 0.541 0.000 -2.440) 2.500 19.399 ( 0.062 0.000 1.334) 1.335 19.763 ( 0.005 0.000 0.126) 0.126 19.922 ( -0.309 0.000 0.216) 0.377 19.963 ( 0.038 0.000 -0.232) 0.235 19.981 ( 0.529 0.000 -1.668) 1.750 20.187 ( 1.372 0.000 -6.766) 6.904 20.367 ( 0.569 0.000 -0.873) 1.043 20.407 ( -0.878 0.000 4.089) 4.182 20.505 ( -0.013 0.000 0.059) 0.060 20.512 ( -0.256 0.000 -2.032) 2.048 20.679 ( 0.009 0.000 0.584) 0.584 20.796 ( 1.315 0.000 0.271) 1.343 20.823 ( -1.462 0.000 -0.060) 1.464 21.016 ( 0.101 0.000 0.570) 0.579 21.185 ( -0.084 0.000 0.422) 0.431 21.323 ( 0.947 0.000 -3.582) 3.705 24.500 ( -1.356 0.000 1.428) 1.969 24.527 ( -0.357 0.000 0.698) 0.785 24.557 ( -0.583 0.000 0.020) 0.584 24.604 ( -0.096 0.000 0.257) 0.275 24.954 ( -0.179 0.000 -0.270) 0.324 25.040 ( 0.269 0.000 -0.927) 0.966 25.062 ( -2.658 0.000 2.803) 3.863 25.152 ( 0.285 0.000 0.427) 0.514 28.515 ( -0.236 0.000 -1.118) 1.143 28.522 ( -0.557 0.000 -1.482) 1.583 28.562 ( 0.355 0.000 0.486) 0.602 28.564 ( 1.200 0.000 -0.278) 1.232 28.586 ( 0.061 0.000 -0.472) 0.476 28.601 ( 0.173 0.000 -0.113) 0.207 28.622 ( 0.751 0.000 -0.993) 1.245 28.699 ( -0.098 0.000 -1.001) 1.006 35.252 ( -0.333 0.000 1.423) 1.462 35.470 ( 1.011 0.000 -1.732) 2.006 35.749 ( 2.433 0.000 -5.989) 6.465 36.251 ( 0.828 0.000 0.487) 0.961 36.413 ( 8.640 0.000 -4.676) 9.824 36.506 ( 13.142 0.000 -21.740) 25.404 36.542 ( -1.924 0.000 0.504) 1.989 37.537 ( -0.216 0.000 0.116) 0.245 37.577 ( -1.092 0.000 -1.013) 1.489 37.895 ( 1.213 0.000 -0.738) 1.420 38.042 ( 12.235 0.000 12.132) 17.230 38.048 ( -0.225 0.000 -1.721) 1.736 38.156 ( 1.330 0.000 -0.179) 1.342 38.307 ( 1.094 0.000 2.531) 2.757 38.450 ( -0.777 0.000 3.282) 3.373 38.569 ( -0.205 0.000 -0.246) 0.320 38.821 ( 3.124 0.000 -10.503) 10.957 38.941 ( 0.679 0.000 -1.777) 1.902 38.959 ( -1.432 0.000 0.612) 1.557 39.160 ( -0.443 0.000 -0.033) 0.445 39.228 ( 4.925 0.000 3.202) 5.874 39.418 ( 0.536 0.000 1.980) 2.051 39.439 ( 0.038 0.000 3.594) 3.594 39.528 ( 0.133 0.000 4.484) 4.486 39.565 ( 2.478 0.000 3.622) 4.388 39.666 ( -1.206 0.000 8.667) 8.750 39.782 ( -2.568 0.000 5.435) 6.011 40.011 ( 2.757 0.000 -5.746) 6.373 40.336 ( -1.844 0.000 7.369) 7.597 40.497 ( 1.372 0.000 2.395) 2.760 40.670 ( -14.000 0.000 -38.339) 40.816 41.653 ( -8.336 0.000 2.621) 8.738 ======================= Grid point 28 (13/66) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -18.128 0.000 4.378) 18.649 0.503 ( -12.663 0.000 13.814) 18.740 1.422 ( -44.531 0.000 13.207) 46.449 1.525 ( 8.591 0.000 7.119) 11.158 1.667 ( 5.458 0.000 6.786) 8.709 1.680 ( -1.367 0.000 -0.144) 1.374 1.755 ( -2.534 0.000 2.991) 3.920 1.795 ( -0.422 0.000 2.844) 2.876 1.904 ( -1.340 0.000 1.173) 1.781 2.021 ( -6.938 0.000 -3.588) 7.811 2.112 ( -5.920 0.000 -0.879) 5.984 2.125 ( -9.014 0.000 -2.677) 9.403 2.170 ( 7.168 0.000 0.070) 7.168 2.271 ( -0.337 0.000 1.016) 1.071 2.323 ( -3.491 0.000 4.630) 5.799 2.492 ( 3.676 0.000 -1.859) 4.119 2.565 ( 4.898 0.000 -2.706) 5.595 2.599 ( 4.669 0.000 -1.355) 4.862 2.604 ( -0.474 0.000 1.586) 1.655 2.834 ( -2.567 0.000 3.334) 4.207 2.907 ( 12.948 0.000 5.414) 14.035 3.097 ( -3.241 0.000 2.746) 4.247 3.137 ( -1.793 0.000 3.595) 4.017 3.207 ( -7.552 0.000 2.663) 8.008 3.274 ( -4.649 0.000 -4.457) 6.440 3.379 ( -0.177 0.000 0.151) 0.233 3.557 ( -10.012 0.000 7.805) 12.695 3.609 ( 10.864 0.000 -1.404) 10.954 3.880 ( 4.436 0.000 -0.729) 4.495 3.889 ( -1.154 0.000 6.316) 6.420 3.953 ( -4.892 0.000 2.604) 5.542 4.061 ( 4.038 0.000 3.818) 5.558 4.181 ( 1.396 0.000 4.566) 4.775 4.236 ( -2.711 0.000 1.684) 3.191 4.368 ( -2.469 0.000 -3.984) 4.687 4.420 ( -6.331 0.000 12.834) 14.311 4.503 ( 5.075 0.000 12.568) 13.554 4.547 ( 0.148 0.000 8.192) 8.194 4.574 ( 3.421 0.000 4.791) 5.887 4.732 ( -3.846 0.000 4.877) 6.211 4.892 ( -0.058 0.000 3.458) 3.459 4.901 ( -3.801 0.000 2.357) 4.472 5.025 ( -1.972 0.000 -8.103) 8.339 5.031 ( 1.740 0.000 1.545) 2.327 5.172 ( -3.868 0.000 2.941) 4.859 5.186 ( -1.252 0.000 -0.290) 1.285 5.327 ( -4.830 0.000 0.903) 4.913 5.429 ( -2.132 0.000 -0.357) 2.162 5.484 ( -0.410 0.000 2.057) 2.097 5.490 ( -2.832 0.000 -0.980) 2.996 5.633 ( 0.582 0.000 -1.652) 1.752 5.678 ( 2.214 0.000 -0.503) 2.271 5.749 ( 1.419 0.000 3.483) 3.761 5.782 ( 0.390 0.000 0.176) 0.428 5.834 ( -3.324 0.000 8.406) 9.040 6.062 ( 5.890 0.000 -1.860) 6.176 6.095 ( -1.768 0.000 -1.927) 2.615 6.156 ( -8.044 0.000 -17.271) 19.052 6.281 ( 2.120 0.000 -6.972) 7.287 6.337 ( 8.136 0.000 -3.512) 8.862 6.393 ( -2.399 0.000 3.239) 4.031 6.607 ( -6.828 0.000 3.823) 7.826 6.650 ( 13.893 0.000 0.909) 13.923 6.712 ( 5.992 0.000 9.057) 10.859 6.933 ( 11.996 0.000 -0.359) 12.001 6.981 ( -6.197 0.000 -4.152) 7.459 7.021 ( 4.564 0.000 0.952) 4.662 7.081 ( -0.713 0.000 1.394) 1.566 7.193 ( -3.772 0.000 1.282) 3.984 7.358 ( -12.395 0.000 1.222) 12.455 7.359 ( 6.477 0.000 2.863) 7.081 7.459 ( 2.629 0.000 -4.481) 5.195 7.611 ( 3.639 0.000 -8.481) 9.229 7.620 ( 5.786 0.000 -3.791) 6.917 7.689 ( 0.785 0.000 1.136) 1.381 7.808 ( -11.374 0.000 1.051) 11.423 7.966 ( 6.154 0.000 -1.179) 6.266 8.067 ( -6.400 0.000 -9.265) 11.261 8.098 ( -6.229 0.000 2.349) 6.657 8.259 ( -0.992 0.000 -0.964) 1.383 8.318 ( -12.280 0.000 -0.368) 12.285 8.327 ( -0.782 0.000 -6.227) 6.275 8.589 ( -4.801 0.000 0.742) 4.858 8.680 ( -8.819 0.000 -6.817) 11.147 8.760 ( -0.914 0.000 -1.774) 1.996 8.785 ( 4.594 0.000 -1.496) 4.831 8.794 ( -0.314 0.000 -0.583) 0.662 8.905 ( 0.006 0.000 -3.051) 3.051 8.912 ( -1.819 0.000 3.440) 3.892 8.934 ( 2.738 0.000 -1.851) 3.305 9.060 ( 3.200 0.000 5.592) 6.443 9.143 ( 6.039 0.000 0.789) 6.091 9.162 ( -2.542 0.000 1.047) 2.749 9.292 ( 5.969 0.000 -0.057) 5.969 9.562 ( -2.165 0.000 -15.803) 15.950 9.680 ( 3.190 0.000 -6.208) 6.979 9.688 ( -8.005 0.000 -3.448) 8.716 9.817 ( 1.227 0.000 -4.226) 4.400 9.895 ( 0.756 0.000 -3.571) 3.651 9.935 ( -3.452 0.000 -11.510) 12.016 9.992 ( 4.465 0.000 -0.842) 4.543 10.012 ( 1.477 0.000 4.848) 5.068 10.215 ( -2.694 0.000 -11.328) 11.644 10.257 ( 1.119 0.000 -5.395) 5.510 11.433 ( -0.613 0.000 -0.547) 0.822 11.441 ( 0.092 0.000 -0.741) 0.747 11.589 ( -0.141 0.000 0.167) 0.218 11.847 ( 0.902 0.000 -0.615) 1.091 11.857 ( -2.638 0.000 1.782) 3.183 11.920 ( -0.740 0.000 -0.501) 0.893 11.996 ( 0.323 0.000 3.876) 3.889 12.057 ( -2.371 0.000 -1.732) 2.936 12.114 ( -1.534 0.000 8.143) 8.287 12.291 ( 1.057 0.000 1.421) 1.771 12.312 ( -1.025 0.000 2.387) 2.598 12.423 ( 3.401 0.000 13.506) 13.927 12.665 ( -0.336 0.000 5.024) 5.035 12.710 ( -0.114 0.000 -3.367) 3.369 12.791 ( 6.164 0.000 2.007) 6.482 12.900 ( 5.991 0.000 7.428) 9.543 12.971 ( -1.464 0.000 0.222) 1.481 13.026 ( -1.713 0.000 0.526) 1.792 13.147 ( 1.643 0.000 5.090) 5.349 13.243 ( 1.429 0.000 -0.585) 1.544 13.532 ( -0.741 0.000 -7.408) 7.445 13.636 ( 2.605 0.000 -4.367) 5.085 13.725 ( -1.316 0.000 -0.146) 1.324 13.790 ( -1.750 0.000 -2.072) 2.712 14.194 ( 3.821 0.000 1.469) 4.093 14.195 ( 6.025 0.000 -2.415) 6.491 14.343 ( 5.645 0.000 1.138) 5.758 14.504 ( -4.020 0.000 -0.991) 4.141 14.551 ( 0.246 0.000 2.912) 2.922 14.587 ( -3.515 0.000 0.730) 3.590 14.792 ( -4.809 0.000 8.318) 9.608 14.827 ( -4.186 0.000 2.451) 4.851 17.441 ( 1.668 0.000 0.095) 1.671 17.487 ( 0.144 0.000 0.329) 0.359 17.505 ( 2.180 0.000 1.224) 2.501 17.688 ( 5.098 0.000 -0.570) 5.130 17.819 ( 2.913 0.000 1.557) 3.302 17.859 ( -5.279 0.000 1.535) 5.498 18.007 ( -2.274 0.000 1.896) 2.961 18.231 ( 2.611 0.000 0.250) 2.623 18.348 ( 2.135 0.000 0.107) 2.137 18.440 ( -1.380 0.000 -6.289) 6.438 18.441 ( 0.934 0.000 2.134) 2.329 18.632 ( 0.235 0.000 3.006) 3.016 18.766 ( -0.263 0.000 0.388) 0.469 18.833 ( -2.458 0.000 0.342) 2.481 18.873 ( 2.218 0.000 -7.040) 7.381 18.925 ( -8.598 0.000 -7.145) 11.179 19.408 ( 0.067 0.000 1.343) 1.344 19.766 ( 0.151 0.000 0.096) 0.179 19.919 ( -0.031 0.000 0.199) 0.202 19.962 ( -0.015 0.000 -0.422) 0.422 19.974 ( -0.445 0.000 -1.176) 1.257 20.175 ( 0.591 0.000 -7.302) 7.326 20.349 ( -1.677 0.000 -0.413) 1.727 20.405 ( -1.371 0.000 5.310) 5.484 20.504 ( 0.005 0.000 0.116) 0.116 20.527 ( 2.761 0.000 -1.711) 3.248 20.681 ( -0.116 0.000 0.532) 0.544 20.761 ( -2.082 0.000 0.926) 2.279 20.875 ( 3.440 0.000 -1.094) 3.610 21.053 ( 3.469 0.000 1.803) 3.909 21.183 ( -0.335 0.000 0.306) 0.454 21.329 ( 1.095 0.000 -3.637) 3.798 24.476 ( -1.249 0.000 0.704) 1.434 24.528 ( -0.133 0.000 2.872) 2.875 24.555 ( 0.439 0.000 -0.406) 0.598 24.607 ( 0.202 0.000 0.332) 0.388 24.955 ( 0.599 0.000 -0.078) 0.604 25.029 ( -1.318 0.000 2.177) 2.544 25.050 ( 1.006 0.000 -0.647) 1.196 25.142 ( -1.459 0.000 0.486) 1.538 28.483 ( -1.824 0.000 -0.634) 1.931 28.516 ( 0.644 0.000 -1.450) 1.586 28.536 ( -1.234 0.000 -0.296) 1.269 28.575 ( 0.772 0.000 -0.264) 0.816 28.606 ( 1.171 0.000 -0.641) 1.335 28.624 ( -0.293 0.000 -0.259) 0.391 28.651 ( 2.559 0.000 -0.272) 2.573 28.688 ( -0.387 0.000 -1.050) 1.119 35.260 ( 0.588 0.000 1.246) 1.377 35.436 ( -3.288 0.000 -0.818) 3.388 35.712 ( -2.851 0.000 -3.143) 4.243 36.260 ( -0.451 0.000 1.045) 1.138 36.515 ( 5.209 0.000 -3.174) 6.100 36.535 ( 1.549 0.000 -1.136) 1.921 36.622 ( 0.800 0.000 -24.877) 24.890 37.533 ( -2.652 0.000 -4.552) 5.268 37.543 ( 0.629 0.000 0.306) 0.699 37.906 ( -0.176 0.000 -0.422) 0.457 38.040 ( 0.342 0.000 -1.514) 1.552 38.163 ( 1.286 0.000 1.592) 2.046 38.231 ( 1.721 0.000 -5.071) 5.355 38.413 ( 4.246 0.000 2.148) 4.758 38.447 ( -1.703 0.000 -5.098) 5.375 38.567 ( 0.221 0.000 -0.536) 0.580 38.849 ( 3.794 0.000 -10.960) 11.599 38.904 ( -2.735 0.000 -0.053) 2.736 38.937 ( 0.058 0.000 -2.913) 2.914 39.221 ( 5.122 0.000 0.226) 5.127 39.334 ( 3.827 0.000 -0.330) 3.841 39.449 ( 1.705 0.000 2.065) 2.678 39.527 ( -2.740 0.000 6.036) 6.629 39.532 ( -10.548 0.000 -7.898) 13.177 39.546 ( 1.569 0.000 -1.723) 2.330 39.604 ( -7.577 0.000 8.031) 11.041 39.776 ( -0.646 0.000 5.622) 5.659 39.832 ( -19.581 0.000 -23.568) 30.641 40.324 ( 4.693 0.000 -5.242) 7.036 40.340 ( -0.982 0.000 7.135) 7.202 40.605 ( 12.815 0.000 18.755) 22.715 41.502 ( -6.683 0.000 -1.165) 6.784 ======================= Grid point 29 (14/66) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -10.204 16.025 15.774) 24.693 0.846 ( 0.483 15.645 18.953) 24.580 1.136 ( 10.291 25.142 14.811) 30.941 1.377 ( -5.590 -7.853 6.412) 11.577 1.555 ( -8.015 0.872 -0.436) 8.074 1.613 ( -1.303 -3.405 -2.083) 4.198 1.666 ( -1.365 -7.503 4.393) 8.801 1.738 ( -0.707 -3.881 1.841) 4.353 1.851 ( 0.327 1.952 4.042) 4.501 1.983 ( -3.504 -1.411 -5.854) 6.967 2.093 ( 3.561 1.465 -1.750) 4.229 2.105 ( 2.891 -1.221 -1.618) 3.531 2.185 ( -0.639 -4.061 -1.891) 4.525 2.289 ( 2.428 1.923 2.525) 3.996 2.362 ( -2.108 2.039 2.065) 3.587 2.464 ( -0.791 -7.315 -0.760) 7.396 2.549 ( 1.188 -7.282 -1.708) 7.573 2.587 ( -0.653 -4.345 1.265) 4.572 2.653 ( 4.524 -5.527 1.872) 7.383 2.775 ( -4.855 4.682 0.136) 6.746 2.831 ( 0.610 -4.797 1.882) 5.189 3.047 ( -3.754 -3.209 -0.428) 4.957 3.185 ( -6.265 8.127 -2.835) 10.646 3.318 ( 7.257 4.658 1.192) 8.705 3.383 ( -3.433 5.869 0.672) 6.832 3.477 ( 1.293 -0.153 7.779) 7.888 3.655 ( 2.703 10.530 -4.526) 11.776 3.840 ( -0.204 4.419 2.485) 5.074 3.917 ( 0.446 7.633 1.834) 7.863 3.974 ( -2.319 2.290 6.464) 7.239 4.051 ( -9.096 3.189 3.416) 10.227 4.058 ( -2.844 2.404 2.062) 4.257 4.187 ( -4.625 -5.043 8.222) 10.697 4.206 ( 1.219 5.223 6.178) 8.182 4.313 ( 6.434 -0.854 4.361) 7.819 4.332 ( -2.403 -3.482 5.694) 7.094 4.462 ( 1.727 -0.468 0.770) 1.948 4.632 ( 2.012 -0.703 -0.708) 2.245 4.676 ( -3.318 2.542 4.020) 5.800 4.717 ( 0.875 1.491 4.819) 5.119 4.844 ( 2.623 -4.556 4.753) 7.088 4.914 ( 1.632 0.022 -2.400) 2.902 4.934 ( -1.751 -5.905 -1.655) 6.377 5.036 ( 10.951 0.135 -0.886) 10.987 5.121 ( -1.751 1.947 0.908) 2.771 5.135 ( -1.407 -7.934 2.061) 8.317 5.188 ( -0.802 0.697 -0.898) 1.392 5.302 ( -1.247 -3.753 3.895) 5.551 5.418 ( -2.183 -3.805 6.355) 7.722 5.581 ( 0.952 2.340 3.313) 4.166 5.632 ( -0.220 0.751 -0.913) 1.202 5.752 ( -0.865 1.244 -0.795) 1.711 5.770 ( 1.790 0.342 -1.029) 2.093 5.778 ( -0.926 0.085 5.522) 5.600 5.937 ( -3.473 5.253 -12.167) 13.700 6.073 ( -3.861 2.291 -3.678) 5.804 6.127 ( 1.583 2.234 -4.211) 5.023 6.297 ( -3.212 1.543 -0.496) 3.598 6.361 ( -0.538 1.636 -0.814) 1.905 6.390 ( 2.722 2.403 -1.331) 3.867 6.493 ( 2.084 1.328 1.452) 2.866 6.577 ( -3.035 4.641 2.435) 6.056 6.744 ( 2.464 -3.559 -1.994) 4.766 6.814 ( -1.434 -2.759 -0.674) 3.181 6.875 ( -4.816 -0.179 -6.200) 7.852 7.015 ( 6.579 2.480 -0.832) 7.080 7.087 ( 5.885 -4.627 -1.143) 7.573 7.189 ( -2.506 5.278 -0.366) 5.854 7.265 ( -1.867 -0.343 -0.081) 1.900 7.293 ( 4.406 3.603 5.134) 7.665 7.420 ( 3.916 5.042 1.079) 6.475 7.486 ( -8.610 3.581 -4.495) 10.352 7.580 ( -2.055 -4.364 1.085) 4.944 7.658 ( -4.350 8.472 1.805) 9.693 7.682 ( 6.637 0.882 -3.221) 7.430 7.777 ( 0.928 0.264 -0.676) 1.178 7.932 ( 3.132 2.478 3.987) 5.643 8.019 ( 0.448 2.402 -0.319) 2.464 8.170 ( -1.796 6.399 -3.095) 7.331 8.219 ( 0.862 4.058 -1.468) 4.401 8.313 ( 0.170 3.874 -0.922) 3.986 8.357 ( 0.761 1.897 -2.613) 3.318 8.409 ( 4.117 1.508 -3.178) 5.415 8.558 ( 0.987 -5.459 -0.902) 5.620 8.654 ( 4.085 -6.909 -1.433) 8.153 8.730 ( -1.153 -3.893 -1.244) 4.246 8.792 ( 0.268 -2.766 -1.123) 2.997 8.818 ( -0.545 -5.411 -0.847) 5.504 8.910 ( 0.439 -0.067 5.962) 5.979 9.021 ( -0.735 3.738 0.114) 3.811 9.042 ( -1.465 -3.737 2.233) 4.593 9.133 ( -2.260 -0.132 3.362) 4.053 9.234 ( 1.492 3.010 0.262) 3.369 9.394 ( 7.857 5.499 -4.393) 10.549 9.491 ( -5.305 2.845 -4.194) 7.337 9.529 ( -2.017 -5.378 -1.764) 6.009 9.652 ( 0.162 -3.975 -6.417) 7.550 9.664 ( -3.190 -1.206 -8.112) 8.799 9.802 ( 1.784 -2.230 -6.170) 6.799 9.903 ( 2.464 -6.605 -6.489) 9.581 10.002 ( 0.766 -1.841 2.377) 3.102 10.036 ( 0.366 -0.594 -1.336) 1.507 10.277 ( 3.014 1.528 -2.818) 4.400 10.280 ( 1.796 2.068 -4.175) 4.994 11.393 ( -0.462 -1.276 0.339) 1.399 11.420 ( 0.090 -2.225 1.025) 2.452 11.680 ( 2.859 4.426 -1.444) 5.463 11.781 ( -1.702 0.143 -3.220) 3.645 11.836 ( 0.575 -1.867 -1.218) 2.303 11.874 ( -1.807 -1.369 1.809) 2.901 11.965 ( -1.170 -0.398 0.567) 1.359 12.021 ( -1.432 -1.319 1.931) 2.742 12.199 ( -1.411 4.331 7.125) 8.456 12.293 ( -3.899 0.507 7.402) 8.381 12.363 ( 1.503 3.989 -0.200) 4.267 12.487 ( -1.257 2.771 -3.654) 4.755 12.644 ( -0.846 -1.684 0.389) 1.924 12.680 ( -1.049 -2.096 1.261) 2.662 12.812 ( -1.074 0.806 -0.525) 1.442 12.904 ( -0.997 -1.097 -2.692) 3.073 13.028 ( 0.913 -0.082 1.262) 1.560 13.096 ( -2.753 -0.940 0.923) 3.052 13.262 ( -0.854 2.979 -0.378) 3.123 13.408 ( 0.862 -1.235 -0.273) 1.531 13.613 ( 5.505 0.071 -2.745) 6.152 13.675 ( 4.693 -1.498 -3.280) 5.919 13.717 ( 2.013 -1.013 1.913) 2.956 13.804 ( 5.572 -2.236 -0.681) 6.042 14.246 ( -1.390 0.320 1.789) 2.288 14.276 ( 1.929 -1.092 2.384) 3.256 14.355 ( 6.779 0.101 -1.692) 6.987 14.408 ( 0.287 -0.904 0.566) 1.105 14.545 ( -4.466 0.401 3.844) 5.906 14.597 ( 1.639 -0.068 1.802) 2.437 14.696 ( -2.019 -2.379 5.185) 6.051 14.760 ( -0.508 -1.574 1.402) 2.168 17.443 ( -2.263 -1.249 1.360) 2.921 17.464 ( -4.950 -2.127 2.692) 6.023 17.540 ( -4.359 0.096 3.626) 5.671 17.568 ( -1.179 -0.769 3.159) 3.459 17.769 ( -2.518 0.073 1.067) 2.735 17.809 ( -2.183 -1.627 -0.114) 2.725 17.954 ( -3.207 1.193 0.720) 3.496 17.981 ( -1.472 -0.242 1.084) 1.844 18.300 ( 1.322 0.836 1.283) 2.023 18.381 ( 1.639 -1.512 0.642) 2.320 18.496 ( 0.761 0.934 2.032) 2.362 18.556 ( -0.367 -0.670 0.335) 0.834 18.759 ( 0.221 -0.601 0.742) 0.980 18.801 ( -3.410 -0.176 -1.178) 3.612 18.839 ( 1.653 -1.569 0.866) 2.438 18.877 ( 0.858 -0.634 -2.404) 2.630 19.658 ( 0.063 11.492 -4.424) 12.314 19.893 ( -1.482 5.413 -6.850) 8.855 19.925 ( 0.124 -0.024 0.164) 0.207 19.954 ( 0.258 -0.104 -1.038) 1.075 19.969 ( 0.259 0.004 -0.325) 0.416 20.101 ( 2.146 -5.844 -4.871) 7.904 20.315 ( -0.751 0.570 -0.170) 0.958 20.420 ( -1.110 -2.827 -0.083) 3.038 20.479 ( -0.028 2.972 1.561) 3.357 20.602 ( 0.888 0.977 -1.820) 2.248 20.677 ( -0.441 1.495 1.019) 1.862 20.819 ( 0.298 -0.287 -3.215) 3.242 20.956 ( 0.449 4.346 -4.669) 6.395 21.097 ( -1.391 -1.714 -2.624) 3.429 21.211 ( 0.861 2.806 -1.599) 3.343 21.318 ( 0.726 -1.181 -3.629) 3.885 24.487 ( 1.214 -0.002 1.408) 1.859 24.521 ( -0.072 -1.367 2.873) 3.182 24.579 ( 0.340 0.919 0.424) 1.068 24.611 ( -0.163 -0.256 0.945) 0.993 24.969 ( 0.107 0.158 -0.073) 0.205 25.012 ( 1.317 -2.310 1.009) 2.843 25.096 ( 0.992 0.431 0.724) 1.302 25.112 ( -0.512 -0.178 0.472) 0.719 28.461 ( 0.249 0.096 -0.411) 0.490 28.484 ( -0.073 -0.752 -0.047) 0.757 28.549 ( 0.865 0.439 -0.985) 1.382 28.569 ( 0.032 -0.755 -0.443) 0.876 28.616 ( -0.416 0.724 -0.670) 1.071 28.637 ( -0.448 1.429 -0.636) 1.627 28.663 ( 0.044 -1.019 -0.501) 1.136 28.685 ( 0.282 -0.307 -0.720) 0.832 35.303 ( -0.139 2.157 0.629) 2.252 35.401 ( 1.537 0.137 -2.092) 2.600 35.642 ( -7.393 -1.225 -1.370) 7.618 35.710 ( -16.385 -3.670 0.745) 16.807 36.253 ( -1.069 0.387 0.440) 1.219 36.360 ( -1.108 -6.010 -1.962) 6.419 36.874 ( 2.859 13.659 -3.498) 14.387 37.347 ( 5.085 -7.921 4.449) 10.411 37.584 ( -0.540 1.534 0.724) 1.780 37.704 ( -3.484 -5.061 4.292) 7.495 37.929 ( -1.197 3.346 -0.049) 3.554 38.133 ( -1.581 -4.053 2.149) 4.853 38.161 ( -1.397 3.777 -1.844) 4.430 38.278 ( 1.848 1.404 -3.743) 4.404 38.440 ( 0.260 2.670 -0.214) 2.691 38.645 ( -0.040 4.773 0.612) 4.812 38.772 ( 1.918 -5.755 -10.523) 12.146 38.898 ( 0.034 -4.490 -0.583) 4.528 38.991 ( -0.377 4.054 -3.804) 5.572 39.065 ( -1.608 0.505 -2.674) 3.160 39.345 ( 3.208 3.082 -1.718) 4.769 39.400 ( 1.153 -0.310 3.904) 4.082 39.461 ( -1.275 -1.028 -0.696) 1.779 39.484 ( 1.558 -1.245 2.389) 3.112 39.518 ( -4.767 2.122 3.087) 6.063 39.624 ( -4.902 1.747 0.616) 5.240 39.677 ( 0.907 2.215 10.317) 10.591 40.047 ( 5.094 0.726 0.692) 5.192 40.343 ( 0.755 2.143 6.588) 6.969 40.466 ( -2.340 4.284 -1.986) 5.269 40.927 ( 13.947 -13.418 6.967) 20.570 41.232 ( 0.888 -17.550 0.590) 17.582 ======================= Grid point 30 (15/66) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 21.890 9.009 5.950) 24.407 1.032 ( 8.530 14.001 15.326) 22.442 1.314 ( -13.382 2.635 -5.729) 14.793 1.333 ( -1.517 -0.064 -5.963) 6.153 1.558 ( 3.996 -5.834 0.815) 7.118 1.614 ( 8.706 1.216 5.101) 10.163 1.719 ( 12.474 9.290 7.340) 17.199 1.794 ( -0.945 -4.638 3.440) 5.852 1.855 ( 3.209 -2.358 6.653) 7.754 1.913 ( -1.072 1.153 -2.088) 2.615 2.130 ( 1.606 -1.441 -3.470) 4.086 2.156 ( 3.443 -0.660 -2.140) 4.107 2.181 ( 1.092 -4.090 -2.057) 4.707 2.312 ( -0.105 -0.362 0.413) 0.559 2.355 ( 2.425 1.863 1.821) 3.560 2.428 ( -1.762 -6.192 -1.020) 6.518 2.540 ( -3.606 -1.730 0.608) 4.046 2.594 ( 1.311 -0.686 1.004) 1.788 2.631 ( -5.997 2.963 0.334) 6.698 2.814 ( 7.439 -8.533 3.795) 11.940 2.900 ( 3.372 -2.367 1.843) 4.513 2.940 ( -4.329 -2.224 -2.001) 5.262 3.091 ( -1.365 1.812 0.228) 2.279 3.341 ( -1.122 5.846 0.496) 5.973 3.369 ( -1.305 4.652 -0.405) 4.848 3.540 ( -0.230 3.424 9.563) 10.160 3.652 ( 0.452 10.279 -3.496) 10.866 3.773 ( -8.040 7.803 -0.146) 11.205 3.886 ( -3.689 1.887 7.203) 8.310 3.902 ( 1.146 2.558 5.087) 5.808 4.018 ( 0.029 2.224 5.984) 6.384 4.106 ( -0.061 5.764 1.437) 5.941 4.144 ( -2.078 -1.783 6.749) 7.283 4.198 ( -2.303 -3.630 8.107) 9.176 4.296 ( -1.597 -0.616 5.689) 5.941 4.415 ( -0.517 2.181 1.586) 2.746 4.542 ( 1.985 1.439 7.345) 7.743 4.602 ( -4.676 1.586 0.769) 4.997 4.719 ( -2.229 2.887 8.298) 9.064 4.761 ( 3.350 1.209 6.747) 7.629 4.891 ( -0.446 0.119 0.992) 1.094 4.923 ( 2.573 -2.629 2.411) 4.398 4.983 ( 2.967 -3.976 -0.816) 5.028 5.067 ( -3.857 0.285 -1.210) 4.053 5.130 ( 2.336 -4.388 1.637) 5.234 5.162 ( 4.011 0.429 3.077) 5.074 5.271 ( 1.564 -2.129 0.154) 2.647 5.336 ( 5.833 -4.050 -0.549) 7.122 5.429 ( 5.920 -0.154 0.073) 5.922 5.545 ( -7.919 -3.973 -2.295) 9.152 5.671 ( 1.381 0.917 -2.545) 3.037 5.719 ( -3.291 2.176 5.138) 6.478 5.740 ( -1.937 -1.298 -3.835) 4.488 5.761 ( -1.044 1.655 3.743) 4.224 5.870 ( -0.624 6.727 -3.631) 7.670 6.002 ( 2.490 3.056 -2.648) 4.748 6.120 ( -0.664 2.795 -3.792) 4.758 6.225 ( 0.083 -1.809 0.370) 1.848 6.308 ( -3.547 1.930 -0.667) 4.092 6.426 ( 0.957 -0.473 -2.387) 2.615 6.436 ( -7.326 3.032 1.879) 8.148 6.493 ( -2.864 5.702 1.081) 6.472 6.611 ( -12.964 -4.594 2.033) 13.903 6.756 ( -0.816 -4.989 -0.400) 5.071 6.810 ( -1.757 -3.762 -8.862) 9.786 7.021 ( -5.048 -1.054 0.693) 5.203 7.092 ( 0.074 4.410 -5.241) 6.849 7.154 ( -0.382 -9.230 -3.938) 10.042 7.257 ( -0.608 2.093 5.054) 5.504 7.346 ( 1.396 2.352 0.937) 2.891 7.395 ( -6.755 -0.699 2.932) 7.397 7.493 ( 2.086 -3.650 0.306) 4.215 7.600 ( 2.236 9.946 0.223) 10.197 7.632 ( 5.751 6.948 -5.475) 10.551 7.781 ( 5.414 3.900 -1.340) 6.805 7.844 ( 2.433 0.505 -0.044) 2.485 8.008 ( -0.067 -2.886 3.793) 4.767 8.076 ( -1.157 10.409 -1.041) 10.525 8.185 ( 3.209 3.603 -2.683) 5.521 8.225 ( 6.620 -3.545 -1.021) 7.579 8.311 ( -0.265 1.546 -0.512) 1.650 8.436 ( 3.762 3.487 -1.537) 5.355 8.513 ( 3.078 -6.362 4.763) 8.523 8.595 ( 2.671 -5.751 -0.736) 6.383 8.698 ( -2.395 -3.931 -0.250) 4.610 8.709 ( 2.809 1.420 -3.435) 4.659 8.810 ( 1.236 -4.864 -3.369) 6.045 8.831 ( 3.555 -3.662 -4.601) 6.872 8.959 ( 0.897 0.551 2.736) 2.932 9.004 ( 1.164 5.960 1.869) 6.354 9.079 ( -0.541 0.934 -3.028) 3.214 9.122 ( 0.399 1.263 4.950) 5.125 9.272 ( 1.606 2.954 0.894) 3.480 9.338 ( -5.248 5.769 -3.149) 8.411 9.495 ( 2.703 0.424 -5.700) 6.323 9.517 ( 3.036 -4.867 -9.858) 11.405 9.631 ( 3.706 -9.774 -4.279) 11.295 9.684 ( 4.890 -3.439 -4.330) 7.381 9.828 ( 2.614 -2.844 -4.497) 5.929 9.874 ( -3.102 -7.012 -1.073) 7.742 9.998 ( -2.993 -0.761 -0.147) 3.092 10.008 ( -0.815 -3.260 -2.532) 4.207 10.268 ( 0.151 2.342 -6.793) 7.187 10.315 ( 2.021 1.044 -5.753) 6.187 11.392 ( 0.006 -1.270 1.388) 1.881 11.424 ( 0.152 -2.750 -0.057) 2.755 11.730 ( -1.461 3.838 -2.218) 4.667 11.763 ( 5.003 2.160 -1.426) 5.632 11.852 ( -0.564 -0.385 0.130) 0.695 11.854 ( 1.297 -2.815 -1.719) 3.544 11.968 ( 1.545 -0.012 -0.264) 1.568 12.011 ( -0.531 -2.345 1.369) 2.766 12.199 ( -1.512 3.911 7.218) 8.347 12.257 ( -2.454 0.596 7.282) 7.708 12.387 ( 0.793 5.553 1.031) 5.703 12.447 ( -1.165 5.155 -2.111) 5.691 12.653 ( 0.607 -1.543 2.134) 2.703 12.660 ( -1.122 -3.594 -0.341) 3.781 12.795 ( -0.694 1.403 2.179) 2.683 12.885 ( -0.020 -0.897 -1.454) 1.708 13.033 ( -3.388 1.229 0.584) 3.651 13.052 ( 2.207 -0.934 0.415) 2.432 13.210 ( -3.506 0.691 -0.852) 3.673 13.276 ( -11.842 -0.556 5.997) 13.286 13.603 ( -1.211 -0.020 -1.882) 2.238 13.675 ( -2.676 -1.582 -1.168) 3.321 13.774 ( 2.190 -0.661 -0.899) 2.458 13.814 ( -0.490 -1.012 -2.059) 2.346 14.210 ( -2.993 2.863 2.766) 4.981 14.280 ( -7.668 2.265 3.495) 8.726 14.393 ( -7.085 -0.789 4.284) 8.317 14.445 ( 4.225 -0.143 2.075) 4.709 14.549 ( 6.293 -0.335 -2.251) 6.692 14.565 ( -2.310 -3.113 5.733) 6.921 14.786 ( 4.159 -2.364 2.549) 5.420 14.810 ( 3.257 -1.397 1.567) 3.875 17.421 ( 4.110 -0.167 -1.758) 4.474 17.429 ( -0.204 -0.244 -0.196) 0.374 17.497 ( -1.899 0.161 2.499) 3.143 17.544 ( -3.550 -1.150 3.233) 4.937 17.792 ( 0.223 0.613 -0.854) 1.075 17.803 ( 4.705 0.250 -1.270) 4.879 17.926 ( 1.322 0.718 -1.838) 2.375 18.012 ( 3.536 -2.489 -1.163) 4.478 18.373 ( 3.541 0.418 2.355) 4.273 18.424 ( 1.620 -0.136 1.702) 2.353 18.477 ( -3.155 0.495 2.451) 4.026 18.543 ( -1.223 -0.893 0.421) 1.572 18.755 ( -0.778 -1.059 -0.027) 1.314 18.758 ( -0.115 -3.110 -1.296) 3.371 18.867 ( 1.288 -0.317 -0.427) 1.394 18.911 ( 2.138 -2.693 -0.151) 3.442 19.629 ( -0.546 13.504 -3.873) 14.059 19.836 ( -1.171 3.537 -2.211) 4.333 19.933 ( 0.129 0.672 0.217) 0.718 19.959 ( 0.356 -0.243 -0.639) 0.771 19.972 ( 0.894 0.143 -1.861) 2.069 20.136 ( 2.931 -4.572 -5.835) 7.971 20.318 ( 1.243 -0.231 -0.168) 1.276 20.404 ( -0.114 -2.895 -0.864) 3.023 20.487 ( -0.110 3.147 1.830) 3.642 20.605 ( 0.203 1.079 -2.018) 2.298 20.670 ( -0.600 1.305 1.270) 1.918 20.799 ( -0.609 -0.145 -1.721) 1.832 20.912 ( -2.746 3.914 -2.422) 5.360 21.037 ( -2.342 -0.552 -0.721) 2.512 21.200 ( -0.690 1.667 0.207) 1.816 21.307 ( -0.081 -1.573 -3.259) 3.619 24.510 ( 0.008 -0.201 1.463) 1.477 24.522 ( -0.477 -0.662 1.570) 1.770 24.580 ( -0.686 0.693 0.607) 1.148 24.605 ( -0.625 -0.306 0.820) 1.075 24.965 ( -0.267 0.446 -0.114) 0.532 25.021 ( -0.530 -2.035 0.116) 2.106 25.100 ( -0.575 0.315 1.566) 1.697 25.130 ( 1.031 -0.382 0.423) 1.178 28.491 ( 2.642 0.261 -0.771) 2.764 28.508 ( 2.079 -0.351 0.143) 2.113 28.552 ( -0.442 0.406 -0.922) 1.101 28.558 ( -0.353 -0.142 0.101) 0.394 28.600 ( -1.018 0.447 -1.085) 1.553 28.623 ( -0.293 0.749 -0.720) 1.080 28.644 ( -1.563 -0.103 -0.734) 1.730 28.688 ( 0.442 -0.768 -0.737) 1.152 35.285 ( -1.376 1.912 0.904) 2.523 35.392 ( 1.447 -2.121 -1.053) 2.775 35.696 ( 10.021 2.447 -6.753) 12.329 35.914 ( 25.482 -7.034 -12.986) 29.452 36.243 ( 0.195 0.405 -0.020) 0.450 36.334 ( -0.906 -5.217 -0.827) 5.359 36.867 ( -2.570 15.193 -0.809) 15.430 37.488 ( 3.930 -8.703 6.188) 11.379 37.571 ( -0.600 1.677 0.230) 1.796 37.689 ( 0.765 -4.674 4.431) 6.486 37.925 ( 0.971 2.907 0.301) 3.080 38.105 ( -1.484 -4.273 0.757) 4.587 38.133 ( -0.668 5.116 -1.253) 5.309 38.301 ( 1.222 0.346 -2.027) 2.392 38.444 ( 0.128 2.493 -0.015) 2.497 38.645 ( -0.232 4.729 0.536) 4.765 38.763 ( 1.771 -4.891 -10.662) 11.863 38.888 ( -0.342 -3.917 -0.732) 4.000 38.990 ( 1.573 3.163 0.007) 3.532 39.105 ( 3.525 -1.538 0.049) 3.846 39.300 ( -5.036 4.453 -0.519) 6.743 39.422 ( -2.342 -0.111 2.183) 3.204 39.457 ( 2.413 -0.067 1.537) 2.862 39.495 ( -0.965 0.869 0.625) 1.441 39.501 ( 0.752 -0.498 2.500) 2.658 39.632 ( 4.157 -0.511 3.113) 5.218 39.715 ( -1.034 1.109 7.627) 7.776 40.128 ( 2.579 0.071 1.203) 2.847 40.300 ( -5.815 2.999 3.568) 7.452 40.473 ( 1.730 1.290 -1.221) 2.480 40.925 ( -4.816 -4.990 -15.372) 16.864 41.383 ( 3.862 -25.556 9.218) 27.441 ======================= Grid point 31 (16/66) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -18.556 8.376 -3.194) 20.608 1.149 ( -8.923 13.933 -4.907) 17.258 1.314 ( 9.681 7.330 8.518) 14.832 1.390 ( 13.510 1.076 4.988) 14.442 1.553 ( -4.312 -4.311 0.281) 6.104 1.690 ( 0.796 -1.086 -2.523) 2.860 1.763 ( 2.454 -10.444 2.724) 11.069 1.847 ( -1.312 -3.775 1.996) 4.467 1.903 ( 3.362 -2.242 0.668) 4.096 2.100 ( -0.575 0.533 -3.039) 3.138 2.160 ( 1.333 1.019 -2.347) 2.885 2.203 ( 3.219 -2.545 0.379) 4.121 2.273 ( 2.152 -4.353 -0.083) 4.857 2.335 ( 2.473 1.585 1.435) 3.269 2.378 ( -9.350 -1.241 0.134) 9.433 2.405 ( 0.335 -2.756 0.881) 2.913 2.486 ( -2.754 2.832 -1.475) 4.217 2.538 ( -1.002 1.931 4.346) 4.860 2.636 ( 1.548 2.522 2.490) 3.868 2.651 ( -2.444 1.925 1.836) 3.613 2.925 ( 0.428 -1.325 2.000) 2.437 3.119 ( 0.097 -4.901 0.849) 4.975 3.134 ( 2.541 -4.989 2.080) 5.973 3.243 ( 0.153 -3.453 -0.433) 3.484 3.428 ( 5.991 9.589 0.170) 11.308 3.496 ( -5.261 7.130 4.143) 9.781 3.612 ( -6.150 14.758 0.618) 16.000 3.742 ( 4.091 5.902 4.462) 8.454 3.858 ( 0.429 -4.481 4.547) 6.399 3.931 ( -1.924 3.501 3.774) 5.496 3.990 ( -3.372 4.913 2.813) 6.589 4.072 ( 0.454 6.181 6.734) 9.152 4.169 ( 1.520 -2.064 2.211) 3.385 4.266 ( -4.200 3.862 4.539) 7.291 4.306 ( 3.947 -2.345 10.029) 11.030 4.444 ( -0.463 1.469 7.702) 7.854 4.488 ( -0.533 0.594 4.259) 4.333 4.528 ( -7.509 2.550 3.787) 8.788 4.607 ( -4.067 4.328 6.752) 8.992 4.801 ( -3.657 -4.305 2.126) 6.036 4.907 ( -2.778 2.042 -0.976) 3.583 4.963 ( 0.398 -2.400 2.818) 3.723 4.986 ( -3.011 -2.995 0.458) 4.271 5.062 ( -10.809 -3.489 6.552) 13.113 5.085 ( 5.724 -0.662 1.953) 6.084 5.197 ( 0.438 -1.036 5.266) 5.385 5.340 ( 0.507 -1.294 -0.477) 1.469 5.426 ( 1.696 -4.545 -0.450) 4.872 5.466 ( 4.028 -0.239 -1.538) 4.318 5.538 ( 2.127 1.746 -0.677) 2.834 5.640 ( -5.695 1.123 -3.391) 6.722 5.665 ( -0.309 -1.598 0.803) 1.815 5.736 ( -0.127 1.220 -2.728) 2.991 5.781 ( 5.529 0.046 4.007) 6.829 5.881 ( 3.152 1.425 -1.877) 3.935 6.052 ( -3.041 -0.239 1.696) 3.491 6.129 ( 8.031 3.152 0.095) 8.628 6.200 ( -3.712 1.586 -2.173) 4.584 6.283 ( 3.515 1.686 -0.016) 3.898 6.308 ( -1.831 3.862 -1.591) 4.561 6.416 ( -2.208 0.256 -0.546) 2.289 6.514 ( 1.723 6.465 4.881) 8.282 6.540 ( 5.069 -2.662 0.270) 5.732 6.709 ( -3.074 -4.117 -1.655) 5.397 6.811 ( 3.631 -8.830 -2.077) 9.770 6.933 ( 0.147 7.361 -4.369) 8.561 7.051 ( -3.203 -3.477 -4.754) 6.704 7.134 ( 1.424 -1.269 -1.733) 2.577 7.252 ( -2.728 2.154 0.263) 3.486 7.281 ( -3.225 -0.877 2.001) 3.895 7.405 ( 1.100 3.938 0.777) 4.162 7.513 ( 2.856 -3.124 -3.442) 5.456 7.617 ( -0.693 1.751 -1.364) 2.325 7.716 ( 3.886 7.618 -1.522) 8.686 7.780 ( -6.163 9.216 3.262) 11.557 7.847 ( -1.762 -4.062 -0.654) 4.476 7.967 ( 0.991 3.574 -4.389) 5.746 8.115 ( 1.970 4.523 1.222) 5.083 8.196 ( 1.116 4.510 -2.796) 5.422 8.298 ( -0.499 0.791 -0.580) 1.101 8.376 ( 2.553 -1.541 2.504) 3.894 8.469 ( -3.015 -7.043 -1.420) 7.791 8.542 ( -1.900 -7.499 4.762) 9.084 8.593 ( 1.800 -4.176 -1.212) 4.706 8.643 ( -2.163 -5.511 2.691) 6.503 8.764 ( 1.880 -1.974 -6.194) 6.767 8.818 ( 0.243 -2.358 -5.978) 6.431 8.859 ( -0.065 -4.315 -2.606) 5.041 8.904 ( -1.981 2.109 -1.820) 3.418 9.023 ( -1.362 9.730 -1.562) 9.949 9.107 ( -2.058 0.258 5.170) 5.571 9.131 ( 6.040 5.853 1.285) 8.508 9.249 ( -1.775 7.014 -4.116) 8.324 9.299 ( -0.966 3.095 0.970) 3.384 9.500 ( 1.026 -4.037 -8.231) 9.225 9.556 ( 5.218 -3.437 -10.061) 11.843 9.695 ( 2.362 -11.184 -0.358) 11.436 9.792 ( 6.284 -3.701 -4.160) 8.396 9.798 ( -3.627 -5.855 -1.284) 7.006 9.870 ( 3.711 -1.495 -1.920) 4.438 9.946 ( -1.470 -1.756 -1.560) 2.771 9.957 ( -2.650 -2.670 0.222) 3.768 10.249 ( 1.987 0.137 -10.200) 10.393 10.304 ( -0.113 -0.932 -10.096) 10.140 11.401 ( 0.100 -1.323 2.012) 2.410 11.422 ( -0.289 -2.288 -0.763) 2.429 11.692 ( -1.029 5.139 -3.479) 6.291 11.813 ( 0.024 -0.198 -0.870) 0.892 11.867 ( 0.606 -3.115 -2.222) 3.874 11.880 ( 2.413 0.693 1.831) 3.107 12.005 ( -0.117 -0.458 0.091) 0.481 12.021 ( 3.132 -0.162 -0.157) 3.141 12.191 ( -2.835 2.919 8.247) 9.196 12.253 ( -0.980 -0.553 7.737) 7.819 12.418 ( -1.857 5.317 0.679) 5.672 12.430 ( 3.371 7.600 2.301) 8.626 12.637 ( -0.670 -2.100 0.638) 2.295 12.677 ( 0.546 -1.074 3.527) 3.727 12.796 ( 0.403 3.463 2.887) 4.527 12.920 ( 2.060 0.171 1.614) 2.623 12.966 ( -2.671 2.134 -0.726) 3.495 13.107 ( -5.045 -2.319 -0.123) 5.554 13.114 ( -1.146 -0.965 2.084) 2.567 13.160 ( 3.012 -0.676 0.740) 3.174 13.579 ( -0.575 -0.413 -3.743) 3.810 13.609 ( -2.010 -1.870 -2.511) 3.720 13.763 ( -1.232 0.832 -2.709) 3.090 13.820 ( -0.256 -1.020 -3.748) 3.892 14.172 ( -0.942 1.905 1.094) 2.391 14.190 ( -1.895 3.367 3.032) 4.912 14.270 ( -3.402 -1.309 3.356) 4.954 14.460 ( -3.620 -6.221 6.778) 9.886 14.579 ( 0.648 1.366 -0.014) 1.512 14.626 ( 1.409 0.671 -0.454) 1.625 14.821 ( -1.913 -1.160 5.160) 5.625 14.854 ( -0.250 -1.100 2.072) 2.359 17.418 ( 0.415 0.247 -0.209) 0.526 17.455 ( -0.943 -1.442 0.149) 1.729 17.510 ( -0.179 0.340 2.275) 2.307 17.552 ( 4.872 -1.940 -0.251) 5.250 17.791 ( 0.737 1.763 0.460) 1.966 17.887 ( 2.117 -1.021 -0.694) 2.450 17.979 ( 3.729 0.269 -1.209) 3.929 18.086 ( 3.590 -4.898 -1.977) 6.387 18.376 ( -2.823 2.719 0.425) 3.943 18.437 ( -2.563 -1.132 2.018) 3.453 18.442 ( -1.045 -0.785 2.628) 2.936 18.542 ( 1.388 -2.003 1.480) 2.851 18.749 ( 0.127 -2.231 0.042) 2.235 18.764 ( 1.096 -3.785 -1.258) 4.136 18.877 ( -0.360 0.296 0.247) 0.528 18.938 ( 0.079 -2.575 0.708) 2.672 19.624 ( 1.472 12.914 -2.676) 13.270 19.829 ( 1.120 3.093 -1.055) 3.455 19.934 ( 0.006 1.133 0.027) 1.134 19.960 ( 0.038 -0.261 -0.182) 0.321 19.984 ( 0.872 0.650 -2.663) 2.877 20.151 ( 0.996 -3.276 -6.451) 7.303 20.346 ( 0.810 -0.230 0.259) 0.881 20.411 ( 1.198 -2.434 -0.703) 2.803 20.484 ( -0.909 3.067 1.859) 3.700 20.596 ( -0.099 1.566 -1.898) 2.462 20.669 ( 0.038 0.670 1.031) 1.230 20.795 ( 0.331 -2.175 -0.262) 2.215 20.868 ( 0.262 5.340 -1.325) 5.508 21.016 ( 0.423 -0.396 -0.211) 0.616 21.192 ( -0.348 0.910 0.384) 1.047 21.298 ( 0.659 -2.116 -2.876) 3.631 24.500 ( -1.236 0.105 1.342) 1.828 24.520 ( -0.591 -0.550 0.922) 1.225 24.566 ( -0.472 0.689 0.227) 0.865 24.599 ( -0.150 -0.467 0.373) 0.617 24.959 ( -0.232 0.468 -0.161) 0.547 25.008 ( -0.680 -1.695 0.343) 1.859 25.090 ( -0.897 1.493 1.136) 2.080 25.145 ( 0.087 -0.673 0.455) 0.817 28.516 ( -0.117 0.236 -1.143) 1.173 28.532 ( -0.979 0.717 -1.096) 1.635 28.546 ( 0.621 -0.882 -0.521) 1.198 28.564 ( -0.681 -0.404 0.306) 0.849 28.588 ( 0.924 0.249 -0.434) 1.051 28.599 ( 0.900 -0.158 -0.109) 0.920 28.636 ( 0.540 1.150 -0.966) 1.596 28.690 ( 0.000 -0.813 -0.990) 1.281 35.274 ( -0.224 1.925 1.123) 2.240 35.417 ( 0.840 -3.716 -1.149) 3.979 35.824 ( 3.419 5.910 -5.858) 8.996 36.248 ( 8.001 -11.754 -9.971) 17.366 36.262 ( 1.263 0.634 -0.101) 1.417 36.369 ( 8.554 -3.339 -4.938) 10.426 36.801 ( -1.686 13.081 -2.639) 13.451 37.490 ( -3.922 -8.539 1.434) 9.506 37.578 ( 0.556 1.115 -0.408) 1.311 37.756 ( 1.451 -12.159 7.619) 14.422 37.967 ( 1.304 0.812 3.530) 3.849 38.092 ( 0.722 -2.342 0.233) 2.462 38.133 ( 1.216 2.859 -0.320) 3.124 38.301 ( -0.241 -0.771 -2.254) 2.394 38.446 ( 0.087 2.850 -0.334) 2.870 38.637 ( -0.514 4.888 0.011) 4.915 38.760 ( 2.248 -5.220 -9.084) 10.715 38.880 ( 0.231 -4.233 -2.420) 4.881 39.031 ( 1.213 4.159 0.599) 4.373 39.172 ( 1.567 -0.247 3.333) 3.692 39.232 ( 1.067 1.303 -0.642) 1.802 39.374 ( -2.484 -2.311 -1.165) 3.587 39.501 ( 0.812 -0.672 0.536) 1.183 39.506 ( 0.488 2.406 9.085) 9.411 39.529 ( -0.289 -2.424 3.396) 4.182 39.694 ( -2.318 -1.521 2.917) 4.025 39.738 ( 3.050 3.188 5.857) 7.333 40.164 ( -5.774 -10.862 -1.569) 12.401 40.177 ( 0.028 10.511 -2.744) 10.864 40.473 ( -0.678 -2.258 -1.692) 2.902 40.743 ( -5.922 5.658 -14.667) 16.799 41.402 ( -3.673 -19.029 4.662) 19.933 ======================= Grid point 32 (17/66) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -3.674 15.175 11.088) 19.150 0.964 ( -7.242 27.677 1.290) 28.638 1.382 ( -14.900 -9.203 5.413) 18.331 1.505 ( 5.092 -1.701 4.565) 7.048 1.590 ( -18.483 4.174 8.526) 20.778 1.665 ( 3.013 -3.023 -0.755) 4.334 1.706 ( -6.920 -1.819 3.041) 7.774 1.796 ( -3.110 0.004 0.153) 3.114 1.848 ( -5.720 -1.980 7.400) 9.560 2.003 ( 1.954 -2.295 1.405) 3.325 2.086 ( -2.722 -2.382 -3.780) 5.232 2.125 ( -5.216 2.238 -5.477) 7.888 2.211 ( 1.324 3.196 -1.883) 3.939 2.272 ( -4.602 -2.457 -1.539) 5.439 2.376 ( -0.444 1.737 3.953) 4.340 2.449 ( 1.852 -3.943 -0.464) 4.380 2.493 ( 6.569 -5.575 0.307) 8.621 2.567 ( 1.812 -1.987 -2.031) 3.370 2.609 ( -0.593 -1.115 1.459) 1.929 2.790 ( 0.174 -3.734 2.633) 4.572 2.922 ( -8.368 -3.814 1.143) 9.267 3.048 ( 7.697 -0.414 2.628) 8.144 3.146 ( 0.819 3.636 3.010) 4.791 3.301 ( -1.050 2.489 -3.684) 4.568 3.432 ( -2.716 6.017 4.067) 7.754 3.460 ( -2.006 0.460 3.064) 3.691 3.609 ( 3.064 14.257 0.105) 14.583 3.852 ( 6.652 11.486 2.843) 13.574 3.878 ( -2.795 -0.394 3.986) 4.884 3.921 ( -2.103 0.884 5.356) 5.821 3.984 ( 4.767 5.944 -0.155) 7.621 4.140 ( 3.560 5.713 5.648) 8.787 4.174 ( -5.389 -1.496 3.804) 6.764 4.212 ( 0.190 -1.770 1.698) 2.460 4.284 ( -3.949 0.584 7.716) 8.688 4.446 ( -5.333 0.747 4.204) 6.832 4.476 ( -2.959 -2.769 5.453) 6.794 4.599 ( 5.012 -0.640 8.250) 9.674 4.655 ( -0.039 5.142 5.020) 7.186 4.731 ( 4.415 -0.977 5.908) 7.440 4.841 ( -4.085 -0.567 -0.534) 4.159 4.853 ( -7.435 -3.631 -0.479) 8.288 4.910 ( -0.978 -4.141 0.007) 4.255 4.989 ( -0.713 -4.672 -1.519) 4.965 5.129 ( -1.161 -1.995 -0.274) 2.324 5.205 ( -2.831 -0.095 3.977) 4.883 5.309 ( -4.607 -5.054 2.416) 7.253 5.366 ( -9.523 -1.751 1.193) 9.756 5.423 ( -1.947 1.708 0.985) 2.772 5.600 ( 2.762 0.155 0.745) 2.865 5.627 ( -0.230 0.096 -2.888) 2.899 5.656 ( 4.267 0.189 0.843) 4.353 5.742 ( 3.061 -0.346 -0.645) 3.147 5.814 ( -3.437 0.188 5.393) 6.397 6.037 ( 0.256 -0.396 -2.548) 2.591 6.057 ( 7.873 4.060 -1.205) 8.940 6.156 ( -3.252 9.338 -3.696) 10.556 6.206 ( 4.519 4.809 -5.734) 8.743 6.322 ( 4.675 -0.915 -3.384) 5.843 6.328 ( 3.837 4.108 -0.454) 5.640 6.445 ( -1.394 5.279 -1.811) 5.752 6.578 ( 0.937 -2.582 2.687) 3.843 6.615 ( 8.557 -0.655 6.072) 10.513 6.777 ( 8.494 3.930 3.743) 10.080 6.868 ( 0.761 -6.981 -0.517) 7.041 7.009 ( 1.664 2.112 -3.043) 4.061 7.033 ( 2.709 2.049 0.676) 3.463 7.104 ( 2.804 -3.472 0.672) 4.513 7.203 ( -1.000 3.054 -3.148) 4.498 7.282 ( 1.062 2.892 0.790) 3.180 7.414 ( 0.751 0.810 -1.833) 2.140 7.540 ( 0.787 -6.971 -5.980) 9.218 7.610 ( 0.246 5.494 1.475) 5.694 7.677 ( -2.995 7.031 1.366) 7.764 7.724 ( -2.080 1.321 -3.735) 4.475 7.829 ( -2.578 2.656 3.329) 4.978 7.922 ( -3.328 1.139 -3.462) 4.935 8.138 ( -1.920 6.392 1.571) 6.857 8.179 ( -2.159 2.267 -5.070) 5.959 8.250 ( -4.904 -0.597 -0.418) 4.958 8.316 ( -0.892 1.405 -0.079) 1.666 8.403 ( -2.104 2.156 2.580) 3.966 8.519 ( -8.457 0.533 -6.209) 10.505 8.567 ( -0.994 -9.938 1.035) 10.041 8.622 ( 0.759 -8.141 -4.342) 9.257 8.748 ( -0.589 -6.598 -4.682) 8.112 8.805 ( 1.493 -3.928 -1.304) 4.400 8.819 ( -2.164 -1.685 0.426) 2.775 8.905 ( 0.147 0.242 1.196) 1.229 8.990 ( -0.483 4.420 0.327) 4.458 9.109 ( -0.227 2.613 2.638) 3.720 9.192 ( -2.564 -4.398 -3.115) 5.968 9.234 ( -2.033 1.943 -1.138) 3.034 9.276 ( 4.257 9.810 -0.317) 10.698 9.480 ( 2.046 -0.932 -5.124) 5.595 9.633 ( 2.014 -4.038 -5.604) 7.195 9.682 ( -3.302 -1.907 -3.534) 5.199 9.733 ( 0.222 -7.668 -3.181) 8.304 9.821 ( -0.202 -3.178 -4.136) 5.220 9.909 ( -1.602 -4.048 -7.422) 8.605 9.963 ( 2.650 -2.851 2.310) 4.526 9.980 ( 5.701 -1.085 -3.489) 6.771 10.244 ( 0.128 1.176 -7.249) 7.345 10.261 ( 2.361 0.175 -6.218) 6.654 11.405 ( -0.686 -1.476 0.178) 1.637 11.413 ( -0.018 -1.656 1.063) 1.968 11.664 ( -0.113 5.337 -2.809) 6.032 11.805 ( 0.149 -1.019 -2.620) 2.815 11.854 ( -1.157 -2.266 -1.103) 2.773 11.899 ( -1.327 -1.191 2.977) 3.471 11.991 ( -1.409 -0.147 0.984) 1.725 12.051 ( -1.211 -0.369 0.475) 1.352 12.184 ( -0.593 3.422 7.668) 8.418 12.290 ( 1.112 -0.736 6.289) 6.428 12.375 ( -2.741 5.612 1.262) 6.372 12.502 ( 1.247 1.987 0.776) 2.470 12.653 ( 1.002 -0.054 0.688) 1.216 12.691 ( -0.566 -1.237 2.089) 2.493 12.840 ( -0.933 2.580 -2.112) 3.463 12.939 ( 6.904 3.134 2.059) 7.857 12.980 ( -4.327 -2.061 0.081) 4.793 13.060 ( 8.880 1.639 6.195) 10.951 13.126 ( 2.217 2.940 1.671) 4.043 13.271 ( 4.696 1.190 1.015) 4.949 13.531 ( -0.275 0.098 -6.000) 6.007 13.615 ( 2.823 -1.974 -3.920) 5.219 13.724 ( -1.473 0.275 -1.169) 1.901 13.779 ( -0.956 -1.069 -2.968) 3.297 14.196 ( 2.104 1.053 1.032) 2.569 14.221 ( 4.901 1.569 -0.324) 5.156 14.316 ( 4.736 -2.132 1.177) 5.326 14.396 ( -4.814 -7.257 2.800) 9.147 14.567 ( -0.891 2.234 0.246) 2.418 14.609 ( -2.755 1.119 1.343) 3.263 14.771 ( -5.295 -1.121 6.460) 8.428 14.815 ( -4.059 -1.492 2.005) 4.767 17.442 ( 1.618 0.061 -0.040) 1.620 17.462 ( 1.230 -1.207 -0.107) 1.726 17.522 ( 0.736 0.825 2.512) 2.744 17.625 ( 1.044 -4.364 2.456) 5.116 17.824 ( 1.277 0.412 1.244) 1.830 17.858 ( -4.746 -0.456 1.714) 5.067 18.005 ( -1.828 -0.165 1.607) 2.439 18.088 ( -4.469 -7.822 0.873) 9.051 18.331 ( -2.815 0.092 0.151) 2.820 18.375 ( -1.816 -1.253 -1.432) 2.630 18.452 ( 1.561 0.868 2.231) 2.858 18.561 ( -0.379 -2.620 1.358) 2.975 18.755 ( -0.050 -0.880 0.522) 1.024 18.792 ( 2.291 -3.166 -0.075) 3.909 18.859 ( -1.539 0.641 0.339) 1.702 18.910 ( -2.629 -0.597 -0.726) 2.792 19.652 ( 2.039 11.047 -3.179) 11.674 19.870 ( 3.424 3.180 -2.353) 5.232 19.938 ( 0.497 2.112 -0.857) 2.333 19.960 ( 0.074 -0.177 -0.206) 0.282 19.975 ( -0.665 0.425 -2.633) 2.749 20.120 ( -1.055 -4.205 -6.125) 7.504 20.339 ( -1.381 0.461 0.476) 1.532 20.433 ( 0.287 -2.237 0.181) 2.263 20.476 ( -0.316 2.849 1.384) 3.183 20.592 ( 0.595 1.645 -1.691) 2.433 20.676 ( 0.119 0.917 0.818) 1.234 20.806 ( 1.443 -0.781 -1.456) 2.194 20.920 ( 4.655 5.465 -3.608) 8.035 21.057 ( 3.905 -0.191 0.308) 3.922 21.189 ( 0.144 1.258 0.209) 1.283 21.308 ( 1.463 -1.861 -3.185) 3.969 24.479 ( -1.058 0.347 0.991) 1.491 24.513 ( -0.448 -0.969 2.025) 2.289 24.568 ( 0.494 0.906 0.207) 1.052 24.603 ( 0.386 -0.385 0.468) 0.719 24.959 ( 0.395 0.344 -0.090) 0.531 24.999 ( -0.400 -1.479 0.662) 1.669 25.082 ( -0.087 1.608 0.514) 1.690 25.135 ( -1.275 -0.627 0.526) 1.515 28.483 ( -1.983 0.135 -0.802) 2.144 28.506 ( -1.401 -0.669 -0.931) 1.810 28.536 ( 0.199 0.133 -0.496) 0.551 28.561 ( 0.689 -0.926 -0.260) 1.183 28.616 ( 1.071 0.719 -0.570) 1.410 28.636 ( 0.584 0.537 -0.168) 0.811 28.649 ( 1.658 0.094 -0.491) 1.732 28.683 ( -0.063 -0.526 -0.971) 1.106 35.284 ( 0.820 2.051 0.932) 2.397 35.409 ( -1.092 -2.318 -0.502) 2.612 35.757 ( -6.554 4.207 -2.756) 8.261 36.234 ( -7.406 -14.485 -6.288) 17.441 36.271 ( -0.544 -0.110 0.557) 0.787 36.444 ( -3.858 -8.755 -5.423) 10.997 36.813 ( 3.949 11.322 -5.613) 13.239 37.366 ( -7.536 -14.307 -0.755) 16.188 37.584 ( 0.245 1.689 0.021) 1.707 37.764 ( -3.777 -12.885 6.778) 15.041 37.961 ( -2.056 2.229 1.382) 3.332 38.129 ( 1.017 -2.856 2.426) 3.883 38.174 ( 1.597 -0.871 0.207) 1.831 38.280 ( -0.246 0.072 -4.073) 4.081 38.441 ( -0.152 3.154 -1.050) 3.328 38.636 ( 0.420 4.817 0.546) 4.865 38.771 ( 2.446 -6.030 -8.917) 11.039 38.884 ( 1.410 -4.024 -2.825) 5.115 39.013 ( -1.461 4.831 -1.976) 5.420 39.226 ( -0.820 -2.433 1.435) 2.941 39.273 ( -2.363 -3.346 -5.776) 7.082 39.332 ( 4.105 -0.665 0.450) 4.183 39.473 ( -4.384 -1.799 4.341) 6.426 39.496 ( -1.277 -1.813 0.398) 2.253 39.588 ( 2.431 2.730 11.124) 11.709 39.637 ( -5.165 1.714 2.122) 5.841 39.750 ( -6.403 3.991 3.394) 8.273 39.984 ( -0.777 1.068 -10.168) 10.254 40.254 ( 4.856 1.598 3.171) 6.016 40.507 ( 1.813 -4.646 9.647) 10.860 40.625 ( 1.980 11.181 -3.755) 11.959 41.315 ( -5.382 -15.080 -0.793) 16.031 ======================= Grid point 33 (18/66) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.806 -8.533 7.840) 12.545 1.028 ( -4.806 8.533 7.840) 12.545 1.274 ( -0.126 -12.651 13.819) 18.735 1.274 ( -0.126 12.651 13.819) 18.735 1.543 ( -2.642 -1.847 -2.492) 4.075 1.543 ( -2.642 1.847 -2.492) 4.075 1.782 ( -2.297 -6.524 -1.519) 7.082 1.782 ( -2.297 6.524 -1.519) 7.082 1.982 ( 3.978 -19.360 4.712) 20.318 1.982 ( 3.978 19.360 4.712) 20.318 2.039 ( 1.182 -2.447 -0.385) 2.744 2.039 ( 1.182 2.447 -0.385) 2.744 2.125 ( 0.109 -1.549 -2.540) 2.977 2.125 ( 0.109 1.549 -2.540) 2.977 2.388 ( -0.308 -3.388 0.367) 3.422 2.388 ( -0.308 3.388 0.367) 3.422 2.478 ( -1.442 -4.143 2.231) 4.921 2.478 ( -1.442 4.143 2.231) 4.921 2.667 ( 1.306 -6.224 -0.095) 6.360 2.667 ( 1.306 6.224 -0.095) 6.360 2.923 ( -2.046 -6.913 -0.140) 7.211 2.923 ( -2.046 6.913 -0.140) 7.211 3.346 ( -1.236 -4.002 -3.211) 5.278 3.346 ( -1.236 4.002 -3.211) 5.278 3.471 ( 0.441 -1.599 4.557) 4.850 3.471 ( 0.441 1.599 4.557) 4.850 3.822 ( -0.526 -5.459 3.172) 6.335 3.822 ( -0.526 5.459 3.172) 6.335 4.012 ( 1.303 -4.040 8.051) 9.102 4.012 ( 1.303 4.040 8.051) 9.102 4.094 ( -2.147 -1.126 -0.189) 2.432 4.094 ( -2.147 1.126 -0.189) 2.432 4.150 ( -9.306 -4.031 9.703) 14.035 4.150 ( -9.306 4.031 9.703) 14.035 4.416 ( 1.103 -1.602 1.475) 2.441 4.416 ( 1.103 1.602 1.475) 2.441 4.537 ( 4.320 -12.941 1.731) 13.753 4.537 ( 4.320 12.941 1.731) 13.753 4.663 ( 0.812 -0.752 0.036) 1.107 4.663 ( 0.812 0.752 0.036) 1.107 4.847 ( 0.045 -5.723 7.553) 9.476 4.847 ( 0.045 5.723 7.553) 9.476 4.936 ( 5.078 -2.092 -1.584) 5.716 4.936 ( 5.078 2.092 -1.584) 5.716 5.112 ( 0.551 -4.718 -0.306) 4.760 5.112 ( 0.551 4.718 -0.306) 4.760 5.231 ( -1.773 -3.440 3.075) 4.943 5.231 ( -1.773 3.440 3.075) 4.943 5.442 ( -0.579 -6.737 0.445) 6.776 5.442 ( -0.579 6.737 0.445) 6.776 5.745 ( -4.215 -2.572 -0.883) 5.017 5.745 ( -4.215 2.572 -0.883) 5.017 5.781 ( 2.390 -0.191 3.111) 3.927 5.781 ( 2.390 0.191 3.111) 3.927 6.014 ( 1.486 -2.921 -6.416) 7.205 6.014 ( 1.486 2.921 -6.416) 7.205 6.275 ( -3.030 -4.338 -2.987) 6.076 6.275 ( -3.030 4.338 -2.987) 6.076 6.395 ( -0.724 -2.531 1.893) 3.243 6.395 ( -0.724 2.531 1.893) 3.243 6.575 ( 2.455 -7.114 -2.684) 7.990 6.575 ( 2.455 7.114 -2.684) 7.990 6.718 ( -4.932 -6.270 2.519) 8.366 6.718 ( -4.932 6.270 2.519) 8.366 6.939 ( -3.988 -5.295 -4.867) 8.224 6.939 ( -3.988 5.295 -4.867) 8.224 7.144 ( 3.244 -6.685 -0.100) 7.431 7.144 ( 3.244 6.685 -0.100) 7.431 7.334 ( 0.020 -3.051 0.612) 3.112 7.334 ( 0.020 3.051 0.612) 3.112 7.465 ( -3.374 -3.772 2.628) 5.702 7.465 ( -3.374 3.772 2.628) 5.702 7.650 ( 7.144 -4.359 -4.272) 9.396 7.650 ( 7.144 4.359 -4.272) 9.396 7.791 ( -2.697 -1.460 1.229) 3.304 7.791 ( -2.697 1.460 1.229) 3.304 7.987 ( 1.010 -2.993 6.667) 7.377 7.987 ( 1.010 2.993 6.667) 7.377 8.258 ( 0.602 -2.154 -3.553) 4.198 8.258 ( 0.602 2.154 -3.553) 4.198 8.410 ( -0.023 -2.935 1.550) 3.320 8.410 ( -0.023 2.935 1.550) 3.320 8.480 ( 1.144 -2.167 -2.869) 3.773 8.480 ( 1.144 2.167 -2.869) 3.773 8.558 ( 4.285 -5.692 -0.345) 7.133 8.558 ( 4.285 5.692 -0.345) 7.133 8.752 ( -0.049 -0.867 -2.566) 2.709 8.752 ( -0.049 0.867 -2.566) 2.709 8.960 ( -1.621 -3.976 1.966) 4.722 8.960 ( -1.621 3.976 1.966) 4.722 9.081 ( 2.549 -4.082 -1.701) 5.104 9.081 ( 2.549 4.082 -1.701) 5.104 9.351 ( -3.738 -8.085 3.263) 9.486 9.351 ( -3.738 8.085 3.263) 9.486 9.538 ( -0.346 -3.467 -5.414) 6.438 9.538 ( -0.346 3.467 -5.414) 6.438 9.657 ( 3.706 -4.751 -7.306) 9.470 9.657 ( 3.706 4.751 -7.306) 9.470 9.730 ( -1.324 -3.490 -8.370) 9.164 9.730 ( -1.324 3.490 -8.370) 9.164 10.007 ( 0.494 -1.657 1.453) 2.258 10.007 ( 0.494 1.657 1.453) 2.258 10.299 ( 2.712 -0.335 -3.507) 4.446 10.299 ( 2.712 0.335 -3.507) 4.446 11.384 ( -0.538 -0.658 1.208) 1.477 11.384 ( -0.538 0.658 1.208) 1.477 11.773 ( 1.957 -2.038 -6.065) 6.691 11.773 ( 1.957 2.038 -6.065) 6.691 11.820 ( -0.656 -1.769 1.351) 2.321 11.820 ( -0.656 1.769 1.351) 2.321 11.984 ( -2.198 -1.725 2.035) 3.456 11.984 ( -2.198 1.725 2.035) 3.456 12.271 ( -2.205 -2.326 8.358) 8.952 12.271 ( -2.205 2.326 8.358) 8.952 12.475 ( 1.297 -3.912 -2.743) 4.950 12.475 ( 1.297 3.912 -2.743) 4.950 12.632 ( -2.285 -1.286 1.087) 2.838 12.632 ( -2.285 1.286 1.087) 2.838 12.856 ( -0.677 -2.598 -1.797) 3.231 12.856 ( -0.677 2.598 -1.797) 3.231 13.052 ( -0.054 -2.001 0.529) 2.070 13.052 ( -0.054 2.001 0.529) 2.070 13.350 ( -2.054 -3.783 0.997) 4.419 13.350 ( -2.054 3.783 0.997) 4.419 13.635 ( 4.255 -1.718 -2.184) 5.082 13.635 ( 4.255 1.718 -2.184) 5.082 13.746 ( 1.670 -2.645 -0.912) 3.258 13.746 ( 1.670 2.645 -0.912) 3.258 14.260 ( 3.497 -0.748 1.651) 3.939 14.260 ( 3.497 0.748 1.651) 3.939 14.373 ( 4.401 -1.585 0.019) 4.678 14.373 ( 4.401 1.585 0.019) 4.678 14.574 ( -5.413 -1.892 5.846) 8.188 14.574 ( -5.413 1.892 5.846) 8.188 14.708 ( 0.302 -2.574 -0.403) 2.623 14.708 ( 0.302 2.574 -0.403) 2.623 17.435 ( -2.884 -0.528 2.178) 3.652 17.435 ( -2.884 0.528 2.178) 3.652 17.554 ( -0.517 -0.699 2.658) 2.797 17.554 ( -0.517 0.699 2.658) 2.797 17.779 ( -2.078 -0.883 0.467) 2.305 17.779 ( -2.078 0.883 0.467) 2.305 17.975 ( -1.614 -0.577 0.752) 1.872 17.975 ( -1.614 0.577 0.752) 1.872 18.336 ( 1.333 -2.146 0.900) 2.682 18.336 ( 1.333 2.146 0.900) 2.682 18.526 ( 0.441 -1.685 1.147) 2.085 18.526 ( 0.441 1.685 1.147) 2.085 18.762 ( -0.574 -1.142 0.426) 1.347 18.762 ( -0.574 1.142 0.426) 1.347 18.856 ( -0.617 -1.353 -0.319) 1.521 18.856 ( -0.617 1.353 -0.319) 1.521 19.871 ( 1.103 -6.718 -1.723) 7.023 19.871 ( 1.103 6.718 -1.723) 7.023 19.949 ( -0.286 -0.865 -1.502) 1.757 19.949 ( -0.286 0.865 -1.502) 1.757 19.985 ( 0.008 -2.471 -3.633) 4.394 19.985 ( 0.008 2.471 -3.633) 4.394 20.352 ( -0.905 -2.544 -0.711) 2.792 20.352 ( -0.905 2.544 -0.711) 2.792 20.561 ( 0.239 -3.376 0.294) 3.397 20.561 ( 0.239 3.376 0.294) 3.397 20.757 ( 0.180 -4.088 -1.111) 4.240 20.757 ( 0.180 4.088 -1.111) 4.240 21.041 ( -0.326 -3.090 -3.408) 4.611 21.041 ( -0.326 3.090 -3.408) 4.611 21.276 ( 0.892 -2.527 -3.228) 4.195 21.276 ( 0.892 2.527 -3.228) 4.195 24.496 ( 0.387 -0.791 2.037) 2.219 24.496 ( 0.387 0.791 2.037) 2.219 24.599 ( 0.015 -0.767 0.972) 1.238 24.599 ( 0.015 0.767 0.972) 1.238 24.979 ( 0.425 -0.847 0.290) 0.991 24.979 ( 0.425 0.847 0.290) 0.991 25.106 ( -0.067 -0.391 0.573) 0.697 25.106 ( -0.067 0.391 0.573) 0.697 28.469 ( 0.342 -0.587 -0.397) 0.787 28.469 ( 0.342 0.587 -0.397) 0.787 28.556 ( 0.514 -0.372 -0.522) 0.822 28.556 ( 0.514 0.372 -0.522) 0.822 28.637 ( -0.321 -1.116 -0.555) 1.288 28.637 ( -0.321 1.116 -0.555) 1.288 28.668 ( 0.042 -1.158 -0.666) 1.336 28.668 ( 0.042 1.158 -0.666) 1.336 35.364 ( 0.112 -2.869 -0.552) 2.924 35.364 ( 0.112 2.869 -0.552) 2.924 35.649 ( -5.946 -1.788 -0.583) 6.236 35.649 ( -5.946 1.788 -0.583) 6.236 36.275 ( -1.183 -1.975 -0.229) 2.314 36.275 ( -1.183 1.975 -0.229) 2.314 37.145 ( 5.305 -10.406 -0.154) 11.681 37.145 ( 5.305 10.406 -0.154) 11.681 37.626 ( -1.007 -2.422 1.890) 3.233 37.626 ( -1.007 2.422 1.890) 3.233 38.026 ( -1.774 -4.951 1.323) 5.423 38.026 ( -1.774 4.951 1.323) 5.423 38.241 ( 0.781 -3.409 -0.640) 3.556 38.241 ( 0.781 3.409 -0.640) 3.556 38.592 ( 1.212 -8.690 -6.961) 11.200 38.592 ( 1.212 8.690 -6.961) 11.200 38.775 ( 0.431 -5.854 0.752) 5.918 38.775 ( 0.431 5.854 0.752) 5.918 39.052 ( -0.940 -1.624 -3.478) 3.952 39.052 ( -0.940 1.624 -3.478) 3.952 39.394 ( 2.881 -0.599 1.972) 3.542 39.394 ( 2.881 0.599 1.972) 3.542 39.455 ( 1.095 -1.102 -0.350) 1.593 39.455 ( 1.095 1.102 -0.350) 1.593 39.571 ( -5.740 -2.547 3.734) 7.306 39.571 ( -5.740 2.547 3.734) 7.306 39.898 ( 0.779 -10.987 2.609) 11.319 39.898 ( 0.779 10.987 2.609) 11.319 40.460 ( 2.520 -5.763 7.510) 9.796 40.460 ( 2.520 5.763 7.510) 9.796 40.895 ( 0.593 -10.776 -2.383) 11.052 40.895 ( 0.593 10.776 -2.383) 11.052 ======================= Grid point 35 (19/66) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 13.924 -9.294 2.821) 16.977 1.199 ( 13.924 9.294 2.821) 16.977 1.393 ( 3.930 -14.069 9.979) 17.691 1.393 ( 3.930 14.069 9.979) 17.691 1.432 ( -3.854 -3.046 -5.181) 7.140 1.432 ( -3.854 3.046 -5.181) 7.140 1.708 ( -4.673 -1.835 -0.824) 5.088 1.708 ( -4.673 1.835 -0.824) 5.088 2.030 ( -0.770 -5.782 -0.296) 5.841 2.030 ( -0.770 5.782 -0.296) 5.841 2.092 ( 1.776 -4.214 -2.051) 5.012 2.092 ( 1.776 4.214 -2.051) 5.012 2.233 ( 7.701 -11.565 2.820) 14.178 2.233 ( 7.701 11.565 2.820) 14.178 2.404 ( 2.905 -7.498 0.959) 8.098 2.404 ( 2.905 7.498 0.959) 8.098 2.467 ( 3.259 -3.908 3.196) 6.010 2.467 ( 3.259 3.908 3.196) 6.010 2.688 ( -0.138 -4.955 1.530) 5.187 2.688 ( -0.138 4.955 1.530) 5.187 2.871 ( -0.977 -4.008 -1.114) 4.273 2.871 ( -0.977 4.008 -1.114) 4.273 3.237 ( -7.217 -8.065 -1.875) 10.983 3.237 ( -7.217 8.065 -1.875) 10.983 3.544 ( 3.574 -3.790 5.471) 7.554 3.544 ( 3.574 3.790 5.471) 7.554 3.828 ( -1.685 -3.901 3.965) 5.812 3.828 ( -1.685 3.901 3.965) 5.812 3.935 ( -5.648 -3.087 1.989) 6.737 3.935 ( -5.648 3.087 1.989) 6.737 4.068 ( -1.383 -4.192 5.817) 7.302 4.068 ( -1.383 4.192 5.817) 7.302 4.161 ( 1.475 -4.209 5.755) 7.281 4.161 ( 1.475 4.209 5.755) 7.281 4.410 ( -0.880 -6.321 2.901) 7.010 4.410 ( -0.880 6.321 2.901) 7.010 4.584 ( -1.201 -4.959 1.195) 5.241 4.584 ( -1.201 4.959 1.195) 5.241 4.768 ( 5.011 -5.033 6.579) 9.682 4.768 ( 5.011 5.033 6.579) 9.682 4.902 ( 0.249 -9.679 6.789) 11.825 4.902 ( 0.249 9.679 6.789) 11.825 4.966 ( 0.621 -2.081 0.705) 2.283 4.966 ( 0.621 2.081 0.705) 2.283 5.169 ( 2.888 -2.996 2.627) 4.921 5.169 ( 2.888 2.996 2.627) 4.921 5.253 ( 1.679 -2.242 0.400) 2.830 5.253 ( 1.679 2.242 0.400) 2.830 5.439 ( 1.238 -3.626 -4.954) 6.263 5.439 ( 1.238 3.626 -4.954) 6.263 5.686 ( -0.750 -0.998 -0.415) 1.316 5.686 ( -0.750 0.998 -0.415) 1.316 5.774 ( -2.625 -0.932 5.062) 5.778 5.774 ( -2.625 0.932 5.062) 5.778 5.996 ( -3.598 -5.201 -6.965) 9.409 5.996 ( -3.598 5.201 -6.965) 9.409 6.209 ( 1.146 -2.739 -2.220) 3.707 6.209 ( 1.146 2.739 -2.220) 3.707 6.355 ( -4.241 -5.726 -2.060) 7.417 6.355 ( -4.241 5.726 -2.060) 7.417 6.532 ( -5.476 -4.691 3.085) 7.843 6.532 ( -5.476 4.691 3.085) 7.843 6.650 ( 0.422 -2.695 -0.297) 2.744 6.650 ( 0.422 2.695 -0.297) 2.744 6.797 ( -6.367 -10.778 -4.273) 13.227 6.797 ( -6.367 10.778 -4.273) 13.227 7.163 ( 3.036 -3.872 -3.923) 6.293 7.163 ( 3.036 3.872 -3.923) 6.293 7.296 ( -5.983 -7.095 -0.477) 9.293 7.296 ( -5.983 7.095 -0.477) 9.293 7.422 ( 0.830 -3.269 4.350) 5.504 7.422 ( 0.830 3.269 4.350) 5.504 7.765 ( 4.239 -4.035 2.209) 6.255 7.765 ( 4.239 4.035 2.209) 6.255 7.825 ( 0.345 -3.322 -0.012) 3.340 7.825 ( 0.345 3.322 -0.012) 3.340 8.070 ( 5.399 -7.410 0.839) 9.207 8.070 ( 5.399 7.410 0.839) 9.207 8.251 ( -0.147 -0.595 -2.910) 2.974 8.251 ( -0.147 0.595 -2.910) 2.974 8.372 ( -2.548 -5.394 2.932) 6.647 8.372 ( -2.548 5.394 2.932) 6.647 8.507 ( -1.400 -5.127 1.418) 5.501 8.507 ( -1.400 5.127 1.418) 5.501 8.652 ( 2.497 -4.649 -1.097) 5.390 8.652 ( 2.497 4.649 -1.097) 5.390 8.785 ( 5.514 -2.869 -5.803) 8.504 8.785 ( 5.514 2.869 -5.803) 8.504 9.010 ( 5.354 -4.447 -1.681) 7.160 9.010 ( 5.354 4.447 -1.681) 7.160 9.109 ( 0.885 -3.512 0.546) 3.663 9.109 ( 0.885 3.512 0.546) 3.663 9.339 ( 1.824 -6.002 2.634) 6.803 9.339 ( 1.824 6.002 2.634) 6.803 9.480 ( -2.018 -3.777 -7.962) 9.040 9.480 ( -2.018 3.777 -7.962) 9.040 9.638 ( -1.832 -8.640 -5.389) 10.347 9.638 ( -1.832 8.640 -5.389) 10.347 9.735 ( 3.653 -6.489 -3.857) 8.387 9.735 ( 3.653 6.489 -3.857) 8.387 9.978 ( -3.078 -0.606 0.187) 3.143 9.978 ( -3.078 0.606 0.187) 3.143 10.311 ( 0.068 -1.337 -5.065) 5.239 10.311 ( 0.068 1.337 -5.065) 5.239 11.383 ( 0.030 -0.716 1.008) 1.237 11.383 ( 0.030 0.716 1.008) 1.237 11.787 ( 1.587 -2.036 -5.939) 6.476 11.787 ( 1.587 2.036 -5.939) 6.476 11.838 ( 1.622 -2.170 1.677) 3.187 11.838 ( 1.622 2.170 1.677) 3.187 11.966 ( 0.343 -0.993 -0.096) 1.055 11.966 ( 0.343 0.993 -0.096) 1.055 12.255 ( -2.761 -1.222 8.903) 9.401 12.255 ( -2.761 1.222 8.903) 9.401 12.502 ( 1.743 -1.883 -2.871) 3.850 12.502 ( 1.743 1.883 -2.871) 3.850 12.612 ( 0.529 -0.579 -0.079) 0.788 12.612 ( 0.529 0.579 -0.079) 0.788 12.839 ( -0.410 -2.575 0.194) 2.615 12.839 ( -0.410 2.575 0.194) 2.615 13.043 ( -0.562 -0.515 1.005) 1.261 13.043 ( -0.562 0.515 1.005) 1.261 13.245 ( -7.534 -1.982 1.054) 7.861 13.245 ( -7.534 1.982 1.054) 7.861 13.629 ( -2.401 -2.115 -0.802) 3.298 13.629 ( -2.401 2.115 -0.802) 3.298 13.786 ( 2.126 -1.329 -1.995) 3.204 13.786 ( 2.126 1.329 -1.995) 3.204 14.279 ( -3.633 -2.481 3.473) 5.605 14.279 ( -3.633 2.481 3.473) 5.605 14.410 ( -6.848 -2.475 6.259) 9.602 14.410 ( -6.848 2.475 6.259) 9.602 14.534 ( 5.596 -0.862 0.150) 5.664 14.534 ( 5.596 0.862 0.150) 5.664 14.777 ( 4.172 -1.302 0.582) 4.409 14.777 ( 4.172 1.302 0.582) 4.409 17.423 ( 1.533 -0.251 -0.474) 1.624 17.423 ( 1.533 0.251 -0.474) 1.624 17.514 ( -3.559 -1.223 3.226) 4.957 17.514 ( -3.559 1.223 3.226) 4.957 17.804 ( 3.361 -0.274 -1.036) 3.528 17.804 ( 3.361 0.274 -1.036) 3.528 17.957 ( 0.612 -2.103 -1.088) 2.446 17.957 ( 0.612 2.103 -1.088) 2.446 18.399 ( 3.338 -1.529 2.576) 4.485 18.399 ( 3.338 1.529 2.576) 4.485 18.508 ( -2.727 -1.970 0.926) 3.489 18.508 ( -2.727 1.970 0.926) 3.489 18.729 ( -1.781 -0.439 0.107) 1.838 18.729 ( -1.781 0.439 0.107) 1.838 18.875 ( 1.641 -1.021 0.342) 1.963 18.875 ( 1.641 1.021 0.342) 1.963 19.846 ( -1.574 -4.032 -2.112) 4.816 19.846 ( -1.574 4.032 -2.112) 4.816 19.952 ( 0.289 -0.510 -0.283) 0.651 19.952 ( 0.289 0.510 -0.283) 0.651 20.009 ( 3.721 -4.807 -4.842) 7.771 20.009 ( 3.721 4.807 -4.842) 7.771 20.343 ( 0.520 -2.157 -0.987) 2.428 20.343 ( 0.520 2.157 -0.987) 2.428 20.565 ( -0.120 -3.174 0.427) 3.205 20.565 ( -0.120 3.174 0.427) 3.205 20.743 ( -0.915 -3.685 -0.622) 3.847 20.743 ( -0.915 3.685 -0.622) 3.847 20.999 ( -1.759 -2.895 -2.918) 4.471 20.999 ( -1.759 2.895 -2.918) 4.471 21.256 ( -1.122 -2.804 -1.658) 3.445 21.256 ( -1.122 2.804 -1.658) 3.445 24.511 ( 0.004 -0.304 1.645) 1.673 24.511 ( 0.004 0.304 1.645) 1.673 24.594 ( -0.815 -0.588 0.954) 1.386 24.594 ( -0.815 0.588 0.954) 1.386 24.983 ( -0.202 -1.204 0.207) 1.238 24.983 ( -0.202 1.204 0.207) 1.238 25.115 ( 0.503 -0.829 0.677) 1.182 25.115 ( 0.503 0.829 0.677) 1.182 28.499 ( 2.384 -0.441 -0.391) 2.456 28.499 ( 2.384 0.441 -0.391) 2.456 28.555 ( -0.162 -0.059 -0.257) 0.310 28.555 ( -0.162 0.059 -0.257) 0.310 28.616 ( -1.629 -0.828 -0.759) 1.979 28.616 ( -1.629 0.828 -0.759) 1.979 28.664 ( 0.140 -1.289 -0.887) 1.571 28.664 ( 0.140 1.289 -0.887) 1.571 35.337 ( -0.913 -2.558 -0.067) 2.717 35.337 ( -0.913 2.558 -0.067) 2.717 35.776 ( 15.381 -4.846 -6.624) 17.434 35.776 ( 15.381 4.846 -6.624) 17.434 36.264 ( 0.343 -1.665 -0.448) 1.758 36.264 ( 0.343 1.665 -0.448) 1.758 37.208 ( -0.716 -14.813 3.658) 15.275 37.208 ( -0.716 14.813 3.658) 15.275 37.615 ( -0.469 -2.334 1.003) 2.583 37.615 ( -0.469 2.334 1.003) 2.583 38.004 ( -0.374 -4.214 0.492) 4.259 38.004 ( -0.374 4.214 0.492) 4.259 38.244 ( -0.297 -4.376 -0.580) 4.425 38.244 ( -0.297 4.376 -0.580) 4.425 38.592 ( 1.640 -8.388 -6.520) 10.750 38.592 ( 1.640 8.388 -6.520) 10.750 38.776 ( -0.575 -5.530 0.157) 5.562 38.776 ( -0.575 5.530 0.157) 5.562 39.058 ( 2.274 -2.649 -0.902) 3.606 39.058 ( 2.274 2.649 -0.902) 3.606 39.388 ( -3.628 -2.856 0.518) 4.647 39.388 ( -3.628 2.856 0.518) 4.647 39.478 ( -0.407 -1.384 3.179) 3.491 39.478 ( -0.407 1.384 3.179) 3.491 39.544 ( 2.716 -3.814 0.795) 4.749 39.544 ( 2.716 3.814 0.795) 4.749 39.917 ( -0.584 -12.331 4.569) 13.163 39.917 ( -0.584 12.331 4.569) 13.163 40.467 ( -2.698 -4.212 -1.785) 5.311 40.467 ( -2.698 4.212 -1.785) 5.311 40.943 ( 2.849 -10.592 2.260) 11.199 40.943 ( 2.849 10.592 2.260) 11.199 ======================= Grid point 37 (20/66) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -10.029 -9.998 -3.987) 14.712 1.151 ( -10.029 9.998 -3.987) 14.712 1.469 ( 0.020 -7.058 4.284) 8.256 1.469 ( 0.020 7.058 4.284) 8.256 1.575 ( 8.100 -2.732 3.036) 9.071 1.575 ( 8.100 2.732 3.036) 9.071 1.655 ( 2.008 -3.068 0.864) 3.767 1.655 ( 2.008 3.068 0.864) 3.767 1.996 ( -1.883 -6.114 -0.588) 6.424 1.996 ( -1.883 6.114 -0.588) 6.424 2.163 ( 4.180 -2.671 0.462) 4.982 2.163 ( 4.180 2.671 0.462) 4.982 2.280 ( 2.138 -5.992 -4.112) 7.575 2.280 ( 2.138 5.992 -4.112) 7.575 2.405 ( -1.769 -1.600 1.679) 2.917 2.405 ( -1.769 1.600 1.679) 2.917 2.590 ( -10.804 -4.123 1.614) 11.676 2.590 ( -10.804 4.123 1.614) 11.676 2.642 ( 2.286 -3.521 1.098) 4.340 2.642 ( 2.286 3.521 1.098) 4.340 2.940 ( 4.259 -5.570 2.001) 7.292 2.940 ( 4.259 5.570 2.001) 7.292 3.134 ( 2.021 -3.991 1.096) 4.605 3.134 ( 2.021 3.991 1.096) 4.605 3.579 ( -4.559 -1.094 4.788) 6.701 3.579 ( -4.559 1.094 4.788) 6.701 3.794 ( 1.134 -1.368 -0.083) 1.779 3.794 ( 1.134 1.368 -0.083) 1.779 3.897 ( -0.425 -7.372 3.207) 8.050 3.897 ( -0.425 7.372 3.207) 8.050 4.075 ( -0.137 -2.721 4.616) 5.360 4.075 ( -0.137 2.721 4.616) 5.360 4.230 ( 2.204 -5.110 9.061) 10.634 4.230 ( 2.204 5.110 9.061) 10.634 4.424 ( 1.115 -4.757 2.235) 5.373 4.424 ( 1.115 4.757 2.235) 5.373 4.540 ( -3.656 -3.256 4.700) 6.786 4.540 ( -3.656 3.256 4.700) 6.786 4.752 ( -7.346 -5.593 3.033) 9.718 4.752 ( -7.346 5.593 3.033) 9.718 4.875 ( -4.358 -1.939 3.624) 5.991 4.875 ( -4.358 1.939 3.624) 5.991 4.965 ( -3.640 -2.352 2.812) 5.166 4.965 ( -3.640 2.352 2.812) 5.166 5.147 ( -1.210 -5.157 1.567) 5.524 5.147 ( -1.210 5.157 1.567) 5.524 5.355 ( 2.241 -2.434 3.757) 5.006 5.355 ( 2.241 2.434 3.757) 5.006 5.511 ( 5.637 -3.947 -2.073) 7.187 5.511 ( 5.637 3.947 -2.073) 7.187 5.672 ( 1.319 -2.842 -3.301) 4.552 5.672 ( 1.319 2.842 -3.301) 4.552 5.728 ( -6.570 -2.175 2.307) 7.295 5.728 ( -6.570 2.175 2.307) 7.295 5.932 ( 6.558 -4.946 -4.660) 9.444 5.932 ( 6.558 4.946 -4.660) 9.444 6.212 ( -0.907 -2.659 3.388) 4.401 6.212 ( -0.907 2.659 3.388) 4.401 6.377 ( 4.876 -2.342 1.936) 5.745 6.377 ( 4.876 2.342 1.936) 5.745 6.510 ( 1.690 -2.230 2.340) 3.647 6.510 ( 1.690 2.230 2.340) 3.647 6.596 ( -2.123 -0.361 -6.175) 6.540 6.596 ( -2.123 0.361 -6.175) 6.540 6.761 ( 1.175 -12.644 2.448) 12.933 6.761 ( 1.175 12.644 2.448) 12.933 7.183 ( -1.594 -8.509 -5.724) 10.378 7.183 ( -1.594 8.509 -5.724) 10.378 7.232 ( 2.834 -3.953 -1.229) 5.017 7.232 ( 2.834 3.953 -1.229) 5.017 7.451 ( -0.791 -1.118 0.085) 1.372 7.451 ( -0.791 1.118 0.085) 1.372 7.709 ( -4.276 -5.279 -0.108) 6.794 7.709 ( -4.276 5.279 -0.108) 6.794 7.879 ( 1.368 -4.336 1.449) 4.772 7.879 ( 1.368 4.336 1.449) 4.772 8.158 ( 1.057 -12.744 -0.316) 12.791 8.158 ( 1.057 12.744 -0.316) 12.791 8.264 ( 2.837 -3.618 0.767) 4.661 8.264 ( 2.837 3.618 0.767) 4.661 8.352 ( -3.174 -2.137 4.202) 5.683 8.352 ( -3.174 2.137 4.202) 5.683 8.446 ( -1.785 -4.560 -0.183) 4.900 8.446 ( -1.785 4.560 -0.183) 4.900 8.655 ( -0.526 -4.487 -4.141) 6.128 8.655 ( -0.526 4.487 -4.141) 6.128 8.826 ( -0.198 -0.932 -6.285) 6.357 8.826 ( -0.198 0.932 -6.285) 6.357 9.022 ( -0.615 -7.416 -1.430) 7.578 9.022 ( -0.615 7.416 -1.430) 7.578 9.146 ( -0.637 -4.303 -2.794) 5.170 9.146 ( -0.637 4.303 -2.794) 5.170 9.407 ( 0.396 -11.393 1.435) 11.490 9.407 ( 0.396 11.393 1.435) 11.490 9.446 ( 4.576 -6.815 -3.429) 8.896 9.446 ( 4.576 6.815 -3.429) 8.896 9.598 ( -0.107 -7.556 -3.386) 8.281 9.598 ( -0.107 7.556 -3.386) 8.281 9.809 ( 4.987 -3.187 -2.561) 6.449 9.809 ( 4.987 3.187 -2.561) 6.449 9.917 ( -2.273 -0.304 -1.727) 2.871 9.917 ( -2.273 0.304 -1.727) 2.871 10.271 ( -0.585 -1.602 -7.689) 7.875 10.271 ( -0.585 1.602 -7.689) 7.875 11.390 ( 0.069 -0.444 0.930) 1.033 11.390 ( 0.069 0.444 0.930) 1.033 11.785 ( 0.869 -3.086 -6.123) 6.912 11.785 ( 0.869 3.086 -6.123) 6.912 11.858 ( -0.808 -2.614 2.481) 3.693 11.858 ( -0.808 2.614 2.481) 3.693 12.007 ( 3.154 -1.459 -1.322) 3.718 12.007 ( 3.154 1.459 -1.322) 3.718 12.235 ( -2.937 -1.231 9.775) 10.281 12.235 ( -2.937 1.231 9.775) 10.281 12.504 ( -0.268 -1.424 -1.682) 2.220 12.504 ( -0.268 1.424 -1.682) 2.220 12.645 ( 1.886 -1.887 -0.081) 2.669 12.645 ( 1.886 1.887 -0.081) 2.669 12.884 ( 4.976 -3.762 3.163) 6.994 12.884 ( 4.976 3.762 3.163) 6.994 13.025 ( -3.848 -3.657 0.471) 5.329 13.025 ( -3.848 3.657 0.471) 5.329 13.134 ( -0.688 -1.779 0.533) 1.981 13.134 ( -0.688 1.779 0.533) 1.981 13.577 ( -1.777 -0.650 -2.114) 2.837 13.577 ( -1.777 0.650 -2.114) 2.837 13.790 ( -0.871 -1.442 -3.458) 3.846 13.790 ( -0.871 1.442 -3.458) 3.846 14.217 ( -1.498 -1.853 2.253) 3.279 14.217 ( -1.498 1.853 2.253) 3.279 14.313 ( -4.839 -5.992 5.515) 9.472 14.313 ( -4.839 5.992 5.515) 9.472 14.618 ( 1.722 -1.509 -0.110) 2.292 14.618 ( 1.722 1.509 -0.110) 2.292 14.821 ( -0.788 -1.245 2.651) 3.032 14.821 ( -0.788 1.245 2.651) 3.032 17.429 ( -0.296 -0.827 -0.313) 0.933 17.429 ( -0.296 0.827 -0.313) 0.933 17.519 ( 2.064 -0.779 2.095) 3.042 17.519 ( 2.064 0.779 2.095) 3.042 17.844 ( 0.804 -2.620 0.376) 2.767 17.844 ( 0.804 2.620 0.376) 2.767 18.001 ( 3.039 -2.133 -1.748) 4.104 18.001 ( 3.039 2.133 -1.748) 4.104 18.420 ( -3.844 -0.418 1.665) 4.210 18.420 ( -3.844 0.418 1.665) 4.210 18.469 ( 0.439 -3.703 1.095) 3.887 18.469 ( 0.439 3.703 1.095) 3.887 18.722 ( 0.748 -0.715 1.175) 1.566 18.722 ( 0.748 0.715 1.175) 1.566 18.898 ( 0.156 -1.378 1.124) 1.785 18.898 ( 0.156 1.378 1.124) 1.785 19.823 ( 0.280 -4.151 -1.992) 4.612 19.823 ( 0.280 4.151 -1.992) 4.612 19.953 ( 0.103 -0.319 -0.126) 0.358 19.953 ( 0.103 0.319 -0.126) 0.358 20.049 ( 1.734 -5.038 -5.278) 7.500 20.049 ( 1.734 5.038 -5.278) 7.500 20.363 ( 1.462 -1.580 -0.474) 2.204 20.363 ( 1.462 1.580 -0.474) 2.204 20.558 ( -0.507 -3.156 0.471) 3.231 20.558 ( -0.507 3.156 0.471) 3.231 20.730 ( 0.051 -3.328 -0.097) 3.329 20.730 ( 0.051 3.328 -0.097) 3.329 20.977 ( 1.143 -3.419 -2.218) 4.232 20.977 ( 1.143 3.419 -2.218) 4.232 21.237 ( -0.135 -2.906 -0.845) 3.030 21.237 ( -0.135 2.906 -0.845) 3.030 24.507 ( -0.940 -0.490 1.207) 1.606 24.507 ( -0.940 0.490 1.207) 1.606 24.584 ( -0.308 -0.818 0.434) 0.976 24.584 ( -0.308 0.818 0.434) 0.976 24.976 ( -0.416 -1.091 0.127) 1.174 24.976 ( -0.416 1.091 0.127) 1.174 25.122 ( -0.202 -1.326 0.634) 1.484 25.122 ( -0.202 1.326 0.634) 1.484 28.527 ( 0.219 -0.721 -0.952) 1.214 28.527 ( 0.219 0.721 -0.952) 1.214 28.549 ( -1.423 -0.807 -0.366) 1.676 28.549 ( -1.423 0.807 -0.366) 1.676 28.595 ( 1.378 -0.250 -0.173) 1.411 28.595 ( 1.378 0.250 -0.173) 1.411 28.665 ( 0.251 -1.289 -0.973) 1.634 28.665 ( 0.251 1.289 -0.973) 1.634 35.334 ( 0.234 -3.347 0.181) 3.360 35.334 ( 0.234 3.347 0.181) 3.360 35.999 ( 6.516 -9.669 -7.260) 13.735 35.999 ( 6.516 9.669 -7.260) 13.735 36.300 ( 3.397 -2.493 -1.153) 4.368 36.300 ( 3.397 2.493 -1.153) 4.368 37.136 ( -6.978 -17.211 3.268) 18.857 37.136 ( -6.978 17.211 3.268) 18.857 37.620 ( 0.385 -2.611 1.072) 2.849 37.620 ( 0.385 2.611 1.072) 2.849 38.020 ( 1.290 -3.203 1.311) 3.693 38.020 ( 1.290 3.203 1.311) 3.693 38.231 ( -0.399 -4.557 -1.221) 4.735 38.231 ( -0.399 4.557 -1.221) 4.735 38.597 ( 1.450 -8.527 -6.014) 10.534 38.597 ( 1.450 8.527 -6.014) 10.534 38.761 ( -0.460 -5.810 -0.718) 5.872 38.761 ( -0.460 5.810 -0.718) 5.872 39.122 ( 3.341 -3.605 1.372) 5.103 39.122 ( 3.341 3.605 1.372) 5.103 39.301 ( -3.888 -3.951 -2.000) 5.893 39.301 ( -3.888 3.951 -2.000) 5.893 39.483 ( -1.245 -0.207 4.545) 4.717 39.483 ( -1.245 0.207 4.545) 4.717 39.608 ( 2.448 -4.458 2.723) 5.769 39.608 ( 2.448 4.458 2.723) 5.769 39.916 ( -1.012 -10.285 2.135) 10.553 39.916 ( -1.012 10.285 2.135) 10.553 40.385 ( -3.069 -6.365 -4.005) 8.122 40.385 ( -3.069 6.365 -4.005) 8.122 40.975 ( -0.800 -16.010 1.530) 16.103 40.975 ( -0.800 16.010 1.530) 16.103 ======================= Grid point 39 (21/66) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.055 -17.117 5.606) 18.011 1.046 ( -0.055 17.117 5.606) 18.011 1.380 ( -8.379 -11.133 3.485) 14.363 1.380 ( -8.379 11.133 3.485) 14.363 1.627 ( -4.610 -1.249 0.363) 4.790 1.627 ( -4.610 1.249 0.363) 4.790 1.770 ( 4.597 -1.754 5.844) 7.640 1.770 ( 4.597 1.754 5.844) 7.640 1.976 ( 0.830 -5.328 -1.778) 5.678 1.976 ( 0.830 5.328 -1.778) 5.678 2.115 ( -13.362 -13.234 1.438) 18.861 2.115 ( -13.362 13.234 1.438) 18.861 2.195 ( -8.255 -3.991 -1.646) 9.316 2.195 ( -8.255 3.991 -1.646) 9.316 2.367 ( 3.626 -4.047 -1.481) 5.632 2.367 ( 3.626 4.047 -1.481) 5.632 2.459 ( 0.904 -3.758 1.975) 4.341 2.459 ( 0.904 3.758 1.975) 4.341 2.665 ( -0.511 -6.611 0.100) 6.631 2.665 ( -0.511 6.611 0.100) 6.631 2.940 ( -1.210 -5.792 1.757) 6.173 2.940 ( -1.210 5.792 1.757) 6.173 3.290 ( 7.236 -4.316 -0.491) 8.440 3.290 ( 7.236 4.316 -0.491) 8.440 3.489 ( -3.784 -1.021 3.807) 5.464 3.489 ( -3.784 1.021 3.807) 5.464 3.827 ( -0.189 -4.556 2.159) 5.045 3.827 ( -0.189 4.556 2.159) 5.045 3.928 ( 2.060 -6.543 4.738) 8.337 3.928 ( 2.060 6.543 4.738) 8.337 4.102 ( 0.960 -4.804 1.676) 5.177 4.102 ( 0.960 4.804 1.676) 5.177 4.291 ( -1.972 -3.949 12.947) 13.679 4.291 ( -1.972 3.949 12.947) 13.679 4.383 ( -4.740 -7.277 2.870) 9.147 4.383 ( -4.740 7.277 2.870) 9.147 4.527 ( -1.147 -7.461 -2.588) 7.980 4.527 ( -1.147 7.461 -2.588) 7.980 4.694 ( 0.280 -3.211 3.499) 4.758 4.694 ( 0.280 3.211 3.499) 4.758 4.772 ( -2.616 -4.196 4.165) 6.465 4.772 ( -2.616 4.196 4.165) 6.465 4.912 ( -1.564 -1.189 -0.490) 2.025 4.912 ( -1.564 1.189 -0.490) 2.025 5.128 ( -1.490 -4.548 -0.764) 4.847 5.128 ( -1.490 4.548 -0.764) 4.847 5.303 ( -6.073 -2.066 4.537) 7.857 5.303 ( -6.073 2.066 4.537) 7.857 5.534 ( -7.201 -6.165 -1.093) 9.542 5.534 ( -7.201 6.165 -1.093) 9.542 5.643 ( 6.013 -1.231 2.979) 6.822 5.643 ( 6.013 1.231 2.979) 6.822 5.779 ( 4.275 -3.822 -0.612) 5.767 5.779 ( 4.275 3.822 -0.612) 5.767 6.041 ( 0.487 -2.210 -4.950) 5.443 6.041 ( 0.487 2.210 -4.950) 5.443 6.268 ( 6.723 -3.444 -0.671) 7.584 6.268 ( 6.723 3.444 -0.671) 7.584 6.372 ( -3.260 -3.336 -0.642) 4.709 6.372 ( -3.260 3.336 -0.642) 4.709 6.554 ( 1.370 -2.766 1.333) 3.363 6.554 ( 1.370 2.766 1.333) 3.363 6.681 ( 6.795 -8.873 2.640) 11.484 6.681 ( 6.795 8.873 2.640) 11.484 6.885 ( 11.564 -6.118 3.958) 13.668 6.885 ( 11.564 6.118 3.958) 13.668 7.101 ( -5.235 -1.588 -3.619) 6.559 7.101 ( -5.235 1.588 -3.619) 6.559 7.301 ( 4.973 -4.640 -1.808) 7.038 7.301 ( 4.973 4.640 -1.808) 7.038 7.417 ( 0.323 -0.618 -1.626) 1.770 7.417 ( 0.323 0.618 -1.626) 1.770 7.689 ( -0.913 -2.590 -3.264) 4.266 7.689 ( -0.913 2.590 -3.264) 4.266 7.836 ( -3.345 -2.032 0.536) 3.951 7.836 ( -3.345 2.032 0.536) 3.951 8.080 ( -10.141 -8.371 5.890) 14.409 8.080 ( -10.141 8.371 5.890) 14.409 8.272 ( -0.490 -3.778 -1.468) 4.083 8.272 ( -0.490 3.778 -1.468) 4.083 8.361 ( 3.531 -5.032 1.469) 6.320 8.361 ( 3.531 5.032 1.469) 6.320 8.474 ( 1.796 -4.793 -1.243) 5.267 8.474 ( 1.796 4.793 -1.243) 5.267 8.580 ( -4.434 -4.773 -4.622) 7.988 8.580 ( -4.434 4.773 -4.622) 7.988 8.771 ( -0.803 -1.182 -5.009) 5.209 8.771 ( -0.803 1.182 -5.009) 5.209 9.018 ( -1.267 -8.534 -1.152) 8.704 9.018 ( -1.267 8.534 -1.152) 8.704 9.066 ( -3.138 -3.386 -0.314) 4.627 9.066 ( -3.138 3.386 -0.314) 4.627 9.403 ( -1.691 -9.542 2.792) 10.085 9.403 ( -1.691 9.542 2.792) 10.085 9.529 ( 3.276 -10.250 -3.820) 11.419 9.529 ( 3.276 10.250 -3.820) 11.419 9.605 ( 2.941 -4.197 -4.705) 6.957 9.605 ( 2.941 4.197 -4.705) 6.957 9.815 ( -2.732 -2.954 -7.906) 8.871 9.815 ( -2.732 2.954 -7.906) 8.871 9.943 ( 4.757 -1.223 0.696) 4.961 9.943 ( 4.757 1.223 0.696) 4.961 10.259 ( 2.509 -0.355 -5.771) 6.303 10.259 ( 2.509 0.355 -5.771) 6.303 11.390 ( -0.472 -0.220 1.119) 1.234 11.390 ( -0.472 0.220 1.119) 1.234 11.774 ( 0.781 -3.326 -6.325) 7.189 11.774 ( 0.781 3.326 -6.325) 7.189 11.839 ( -1.720 -2.535 2.036) 3.679 11.839 ( -1.720 2.535 2.036) 3.679 12.022 ( -1.843 -1.975 1.892) 3.298 12.022 ( -1.843 1.975 1.892) 3.298 12.250 ( 0.485 -2.618 7.550) 8.006 12.250 ( 0.485 2.618 7.550) 8.006 12.485 ( -0.915 -3.042 -1.202) 3.396 12.485 ( -0.915 3.042 -1.202) 3.396 12.664 ( -0.753 -0.880 1.880) 2.208 12.664 ( -0.753 0.880 1.880) 2.208 12.909 ( -4.768 -3.549 -1.238) 6.071 12.909 ( -4.768 3.549 -1.238) 6.071 13.010 ( 4.219 -3.148 1.899) 5.596 13.010 ( 4.219 3.148 1.899) 5.596 13.255 ( 9.689 -3.560 1.931) 10.501 13.255 ( 9.689 3.560 1.931) 10.501 13.556 ( 1.689 -2.474 -3.959) 4.965 13.556 ( 1.689 2.474 -3.959) 4.965 13.746 ( -0.945 -1.538 -3.152) 3.633 13.746 ( -0.945 1.538 -3.152) 3.633 14.243 ( -1.228 -2.179 2.245) 3.361 14.243 ( -1.228 2.179 2.245) 3.361 14.280 ( 3.576 -1.983 0.698) 4.148 14.280 ( 3.576 1.983 0.698) 4.148 14.613 ( -1.668 -1.193 1.504) 2.543 14.613 ( -1.668 1.193 1.504) 2.543 14.772 ( -4.797 -1.566 2.853) 5.797 14.772 ( -4.797 1.566 2.853) 5.797 17.445 ( 1.502 -0.340 -0.202) 1.554 17.445 ( 1.502 0.340 -0.202) 1.554 17.549 ( -0.540 -2.044 3.816) 4.362 17.549 ( -0.540 2.044 3.816) 4.362 17.838 ( -2.300 -0.920 1.184) 2.745 17.838 ( -2.300 0.920 1.184) 2.745 18.008 ( -1.919 -0.859 1.149) 2.396 18.008 ( -1.919 0.859 1.149) 2.396 18.351 ( -2.569 -1.168 -0.376) 2.847 18.351 ( -2.569 1.168 -0.376) 2.847 18.494 ( 1.622 -2.919 1.281) 3.576 18.494 ( 1.622 2.919 1.281) 3.576 18.748 ( 1.077 -0.638 0.996) 1.600 18.748 ( 1.077 0.638 0.996) 1.600 18.887 ( -1.666 -1.342 0.924) 2.330 18.887 ( -1.666 1.342 0.924) 2.330 19.839 ( 1.994 -5.312 -1.889) 5.980 19.839 ( 1.994 5.312 -1.889) 5.980 19.955 ( 0.094 -0.136 -0.245) 0.295 19.955 ( 0.094 0.136 -0.245) 0.295 20.027 ( -1.393 -3.449 -4.819) 6.088 20.027 ( -1.393 3.449 -4.819) 6.088 20.373 ( -0.581 -2.332 -0.129) 2.407 20.373 ( -0.581 2.332 -0.129) 2.407 20.556 ( 0.080 -3.333 0.227) 3.341 20.556 ( 0.080 3.333 0.227) 3.341 20.745 ( 1.215 -3.746 -0.667) 3.995 20.745 ( 1.215 3.746 -0.667) 3.995 21.021 ( 3.388 -3.017 -2.813) 5.338 21.021 ( 3.388 3.017 -2.813) 5.338 21.248 ( 1.932 -3.265 -1.708) 4.161 21.248 ( 1.932 3.265 -1.708) 4.161 24.492 ( -0.800 -0.791 1.431) 1.821 24.492 ( -0.800 0.791 1.431) 1.821 24.589 ( 0.499 -0.854 0.496) 1.106 24.589 ( 0.499 0.854 0.496) 1.106 24.972 ( 0.039 -0.879 0.109) 0.886 24.972 ( 0.039 0.879 0.109) 0.886 25.114 ( -0.761 -1.213 0.577) 1.544 25.114 ( -0.761 1.213 0.577) 1.544 28.492 ( -2.098 -0.588 -0.827) 2.330 28.492 ( -2.098 0.588 -0.827) 2.330 28.543 ( 0.704 -0.557 -0.487) 1.021 28.543 ( 0.704 0.557 -0.487) 1.021 28.631 ( 1.373 -0.618 -0.264) 1.528 28.631 ( 1.373 0.618 -0.264) 1.528 28.666 ( 0.260 -0.925 -0.764) 1.228 28.666 ( 0.260 0.925 -0.764) 1.228 35.344 ( 0.802 -3.089 0.221) 3.199 35.344 ( 0.802 3.089 0.221) 3.199 35.919 ( -12.503 -10.777 -2.954) 16.769 35.919 ( -12.503 10.777 -2.954) 16.769 36.312 ( -2.207 -3.374 0.312) 4.044 36.312 ( -2.207 3.374 0.312) 4.044 37.063 ( 1.306 -11.513 -1.403) 11.671 37.063 ( 1.306 11.513 -1.403) 11.671 37.631 ( -0.160 -2.753 1.888) 3.341 37.631 ( -0.160 2.753 1.888) 3.341 38.043 ( -0.279 -4.208 2.192) 4.753 38.043 ( -0.279 4.208 2.192) 4.753 38.227 ( 0.725 -3.624 -1.345) 3.933 38.227 ( 0.725 3.624 -1.345) 3.933 38.597 ( 1.211 -8.770 -6.323) 10.879 38.597 ( 1.211 8.770 -6.323) 10.879 38.761 ( 0.617 -6.009 -0.259) 6.047 38.761 ( 0.617 6.009 -0.259) 6.047 39.120 ( -3.546 -4.768 -2.763) 6.553 39.120 ( -3.546 4.768 -2.763) 6.553 39.299 ( 4.539 -1.989 0.445) 4.975 39.299 ( 4.539 1.989 0.445) 4.975 39.464 ( -1.755 -0.806 2.368) 3.056 39.464 ( -1.755 0.806 2.368) 3.056 39.641 ( -1.969 -1.413 5.943) 6.418 39.641 ( -1.969 1.413 5.943) 6.418 39.892 ( -0.845 -7.154 -1.750) 7.413 39.892 ( -0.845 7.154 -1.750) 7.413 40.367 ( 1.931 -6.670 4.616) 8.338 40.367 ( 1.931 6.670 4.616) 8.338 40.935 ( -2.582 -16.489 -1.821) 16.789 40.935 ( -2.582 16.489 -1.821) 16.789 ======================= Grid point 45 (22/66) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 11.227 0.000 19.369) 22.387 0.981 ( -6.706 0.000 22.132) 23.126 1.466 ( -3.966 0.000 5.238) 6.570 1.510 ( -12.069 0.000 -1.013) 12.112 1.599 ( -4.953 0.000 11.976) 12.960 1.694 ( -3.878 0.000 2.414) 4.567 1.754 ( -2.780 0.000 1.189) 3.024 1.808 ( -3.898 0.000 7.745) 8.670 1.967 ( -1.792 0.000 -1.177) 2.144 2.008 ( 0.653 0.000 -2.603) 2.683 2.019 ( 4.421 0.000 5.994) 7.448 2.110 ( 6.179 0.000 1.533) 6.366 2.259 ( 0.034 0.000 -2.260) 2.260 2.262 ( 1.567 0.000 -0.317) 1.599 2.394 ( -4.523 0.000 3.828) 5.926 2.524 ( 3.562 0.000 1.390) 3.823 2.635 ( -3.532 0.000 0.079) 3.533 2.639 ( -2.825 0.000 2.204) 3.583 2.671 ( -0.232 0.000 1.057) 1.082 2.857 ( -1.286 0.000 0.764) 1.496 2.966 ( 1.997 0.000 5.825) 6.158 3.049 ( -7.594 0.000 -3.133) 8.215 3.053 ( -6.148 0.000 1.127) 6.250 3.221 ( 9.747 0.000 -5.082) 10.992 3.243 ( -3.411 0.000 5.413) 6.398 3.406 ( 5.715 0.000 0.118) 5.716 3.703 ( -0.892 0.000 11.928) 11.962 3.773 ( -2.408 0.000 3.351) 4.126 3.843 ( 0.537 0.000 0.810) 0.972 3.972 ( 2.969 0.000 1.439) 3.299 4.149 ( 2.256 0.000 9.997) 10.249 4.215 ( -7.690 0.000 10.753) 13.220 4.315 ( 7.392 0.000 0.564) 7.413 4.321 ( 5.109 0.000 4.605) 6.878 4.380 ( 5.229 0.000 4.888) 7.157 4.439 ( -9.592 0.000 6.073) 11.353 4.513 ( -0.232 0.000 -1.888) 1.902 4.657 ( -5.580 0.000 7.712) 9.519 4.738 ( 2.922 0.000 0.268) 2.934 4.749 ( -5.220 0.000 4.892) 7.154 4.919 ( 6.926 0.000 -3.227) 7.641 4.955 ( -1.275 0.000 3.334) 3.570 5.014 ( -0.786 0.000 -2.989) 3.091 5.125 ( -1.956 0.000 7.394) 7.648 5.143 ( -3.996 0.000 0.442) 4.020 5.173 ( 3.975 0.000 7.757) 8.716 5.292 ( -1.723 0.000 -2.854) 3.334 5.418 ( 0.531 0.000 1.670) 1.753 5.459 ( -8.833 0.000 3.112) 9.366 5.515 ( 0.448 0.000 2.818) 2.853 5.630 ( 6.874 0.000 6.446) 9.424 5.672 ( -4.608 0.000 -3.296) 5.665 5.787 ( -3.106 0.000 1.366) 3.393 5.817 ( -7.640 0.000 1.551) 7.796 5.914 ( 2.869 0.000 6.255) 6.882 6.054 ( -4.762 0.000 9.591) 10.708 6.061 ( 1.570 0.000 -4.462) 4.730 6.213 ( -5.076 0.000 -1.653) 5.339 6.310 ( 8.075 0.000 0.819) 8.117 6.456 ( 1.367 0.000 5.011) 5.194 6.572 ( 1.377 0.000 4.489) 4.695 6.602 ( 0.797 0.000 5.246) 5.306 6.666 ( 0.728 0.000 -6.233) 6.275 6.776 ( -1.849 0.000 -7.944) 8.156 6.807 ( -2.411 0.000 -2.262) 3.306 7.000 ( -2.829 0.000 -9.711) 10.114 7.002 ( 2.174 0.000 -3.159) 3.835 7.109 ( 2.488 0.000 -3.174) 4.034 7.223 ( -3.054 0.000 4.389) 5.347 7.238 ( 5.600 0.000 5.842) 8.093 7.454 ( -7.706 0.000 -1.248) 7.807 7.467 ( 5.251 0.000 2.372) 5.762 7.558 ( -10.125 0.000 -3.479) 10.706 7.604 ( -0.570 0.000 -3.148) 3.199 7.771 ( -4.296 0.000 7.761) 8.870 7.805 ( 10.500 0.000 -1.954) 10.680 7.847 ( 19.589 0.000 5.646) 20.387 7.882 ( -3.020 0.000 -2.110) 3.684 8.101 ( 6.727 0.000 -0.485) 6.744 8.141 ( 0.932 0.000 -5.758) 5.833 8.184 ( -8.074 0.000 3.769) 8.910 8.322 ( 2.645 0.000 -5.831) 6.403 8.355 ( -2.450 0.000 -0.035) 2.450 8.646 ( 0.256 0.000 -4.977) 4.983 8.700 ( 2.179 0.000 -1.706) 2.768 8.733 ( 1.845 0.000 -2.786) 3.341 8.810 ( -1.652 0.000 2.242) 2.785 8.856 ( 2.239 0.000 -0.011) 2.239 8.969 ( 1.804 0.000 0.222) 1.818 8.975 ( -0.889 0.000 1.094) 1.410 9.102 ( 1.017 0.000 -2.627) 2.818 9.168 ( -5.649 0.000 -2.599) 6.218 9.220 ( -0.996 0.000 4.452) 4.562 9.318 ( 3.782 0.000 1.515) 4.074 9.369 ( 1.299 0.000 -8.450) 8.550 9.468 ( -4.037 0.000 -8.758) 9.644 9.534 ( 0.659 0.000 -1.392) 1.540 9.676 ( -2.672 0.000 -3.648) 4.522 9.738 ( 1.620 0.000 -6.092) 6.304 9.860 ( 6.910 0.000 -6.377) 9.403 10.036 ( -2.292 0.000 1.123) 2.552 10.105 ( 1.191 0.000 2.046) 2.367 10.122 ( 4.761 0.000 -5.143) 7.008 10.230 ( -1.861 0.000 -1.029) 2.127 11.416 ( 0.780 0.000 0.947) 1.227 11.463 ( -0.704 0.000 0.867) 1.117 11.639 ( 2.303 0.000 1.363) 2.676 11.802 ( -4.250 0.000 0.283) 4.259 11.860 ( 0.853 0.000 0.247) 0.889 11.905 ( -0.963 0.000 0.710) 1.197 11.992 ( -1.609 0.000 0.184) 1.619 12.072 ( -0.141 0.000 1.454) 1.461 12.240 ( -3.548 0.000 7.615) 8.401 12.340 ( -2.880 0.000 5.643) 6.336 12.393 ( 0.790 0.000 3.277) 3.371 12.525 ( -5.718 0.000 6.184) 8.422 12.641 ( 0.306 0.000 -3.043) 3.058 12.748 ( -1.256 0.000 3.233) 3.469 12.852 ( 1.309 0.000 2.353) 2.693 12.863 ( -3.098 0.000 -1.585) 3.480 13.055 ( 0.468 0.000 -0.914) 1.027 13.102 ( -4.198 0.000 1.004) 4.317 13.191 ( -1.081 0.000 -3.481) 3.645 13.329 ( 5.316 0.000 -4.931) 7.251 13.532 ( 11.835 0.000 -4.239) 12.571 13.624 ( 4.853 0.000 -2.331) 5.383 13.754 ( 0.123 0.000 -0.512) 0.526 13.803 ( 6.951 0.000 -1.204) 7.054 14.265 ( 7.675 0.000 -3.072) 8.267 14.297 ( -0.716 0.000 1.986) 2.111 14.335 ( -2.862 0.000 -0.540) 2.913 14.451 ( 0.091 0.000 2.135) 2.137 14.549 ( -0.140 0.000 -0.341) 0.369 14.566 ( 5.478 0.000 -4.905) 7.353 14.783 ( -4.362 0.000 1.712) 4.686 14.912 ( -2.034 0.000 6.271) 6.593 17.472 ( 0.294 0.000 0.440) 0.529 17.495 ( 0.157 0.000 0.001) 0.157 17.587 ( 2.235 0.000 1.788) 2.862 17.683 ( -8.056 0.000 2.883) 8.556 17.807 ( -4.571 0.000 2.773) 5.346 17.853 ( -8.533 0.000 2.193) 8.811 17.956 ( -5.705 0.000 1.053) 5.801 18.004 ( -4.005 0.000 -0.098) 4.007 18.327 ( 2.827 0.000 1.509) 3.204 18.414 ( 1.980 0.000 1.545) 2.511 18.536 ( 1.430 0.000 3.399) 3.688 18.572 ( -1.426 0.000 1.042) 1.766 18.762 ( -0.406 0.000 -0.138) 0.429 18.784 ( -1.813 0.000 -2.737) 3.283 18.824 ( 0.674 0.000 1.114) 1.302 18.879 ( 1.952 0.000 -0.185) 1.961 19.438 ( -0.932 0.000 2.163) 2.355 19.771 ( -0.099 0.000 0.367) 0.380 19.928 ( -0.080 0.000 -1.743) 1.745 19.932 ( 0.249 0.000 0.453) 0.517 19.963 ( 0.069 0.000 -0.527) 0.531 20.047 ( 2.409 0.000 -6.625) 7.049 20.315 ( -0.513 0.000 -0.381) 0.639 20.450 ( -0.854 0.000 -1.250) 1.514 20.510 ( -0.096 0.000 0.399) 0.410 20.512 ( 0.184 0.000 0.332) 0.379 20.683 ( 0.161 0.000 -0.219) 0.272 20.764 ( -0.700 0.000 1.480) 1.637 20.879 ( 1.003 0.000 -2.065) 2.296 21.069 ( -0.698 0.000 -2.375) 2.475 21.179 ( 0.222 0.000 -0.587) 0.628 21.241 ( 0.861 0.000 -5.029) 5.103 24.517 ( 0.631 0.000 1.710) 1.823 24.563 ( 0.857 0.000 0.082) 0.861 24.599 ( -1.041 0.000 2.606) 2.806 24.626 ( 0.364 0.000 0.637) 0.733 24.964 ( -0.272 0.000 -0.226) 0.353 25.046 ( -0.548 0.000 -1.042) 1.177 25.095 ( 3.350 0.000 0.366) 3.369 25.119 ( -0.341 0.000 0.007) 0.341 28.457 ( 0.133 0.000 -0.474) 0.492 28.500 ( -0.401 0.000 -0.091) 0.412 28.504 ( 1.309 0.000 -1.528) 2.012 28.546 ( 0.056 0.000 -2.109) 2.110 28.590 ( -0.166 0.000 -1.381) 1.391 28.614 ( -0.931 0.000 0.082) 0.934 28.664 ( 0.022 0.000 -0.823) 0.823 28.667 ( 0.840 0.000 -1.123) 1.402 35.305 ( -0.209 0.000 1.897) 1.909 35.374 ( -0.797 0.000 -0.117) 0.806 35.615 ( -5.240 0.000 -3.094) 6.085 35.716 ( -13.218 0.000 -4.377) 13.924 36.264 ( -1.434 0.000 1.191) 1.864 36.461 ( 1.173 0.000 -4.180) 4.341 36.554 ( 2.604 0.000 -0.907) 2.758 37.510 ( 8.811 0.000 -2.145) 9.068 37.571 ( -0.291 0.000 1.280) 1.312 37.816 ( -6.305 0.000 -1.895) 6.584 37.856 ( -0.730 0.000 -2.153) 2.274 38.028 ( 0.687 0.000 -1.309) 1.479 38.129 ( -0.216 0.000 -5.022) 5.027 38.230 ( 2.690 0.000 -1.606) 3.133 38.483 ( 0.025 0.000 -0.219) 0.220 38.576 ( 0.488 0.000 0.702) 0.855 38.616 ( 1.293 0.000 -9.688) 9.774 38.920 ( -1.051 0.000 -2.226) 2.462 38.960 ( 0.557 0.000 2.944) 2.996 39.040 ( 2.722 0.000 0.339) 2.743 39.286 ( 1.374 0.000 -0.447) 1.445 39.412 ( 2.938 0.000 -0.327) 2.957 39.415 ( -0.745 0.000 -2.226) 2.347 39.480 ( 0.771 0.000 -1.193) 1.421 39.577 ( -5.004 0.000 5.179) 7.202 39.734 ( -0.626 0.000 8.447) 8.470 39.944 ( -0.739 0.000 0.625) 0.968 40.014 ( -1.425 0.000 14.771) 14.840 40.332 ( 5.783 0.000 -3.358) 6.687 40.526 ( -2.121 0.000 10.827) 11.033 40.950 ( -10.350 0.000 -11.846) 15.731 41.529 ( 16.150 0.000 -4.758) 16.836 ======================= Grid point 46 (23/66) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 7.429 0.000 10.375) 12.761 1.106 ( 7.186 0.000 11.142) 13.259 1.212 ( -10.213 0.000 -1.721) 10.357 1.217 ( -11.213 0.000 5.116) 12.325 1.632 ( -1.643 0.000 0.834) 1.843 1.703 ( 2.291 0.000 1.956) 3.012 1.753 ( 1.887 0.000 1.464) 2.388 1.930 ( -2.340 0.000 -0.243) 2.353 1.962 ( 4.547 0.000 6.565) 7.986 2.055 ( 10.548 0.000 11.351) 15.495 2.089 ( 0.410 0.000 5.853) 5.867 2.196 ( 2.922 0.000 1.142) 3.137 2.250 ( -1.766 0.000 -3.171) 3.630 2.273 ( 4.107 0.000 -2.228) 4.672 2.362 ( 1.220 0.000 1.165) 1.686 2.498 ( -3.519 0.000 -0.148) 3.522 2.561 ( -2.843 0.000 2.053) 3.507 2.572 ( -6.502 0.000 -3.392) 7.334 2.599 ( 0.312 0.000 3.305) 3.320 2.906 ( -7.068 0.000 -1.152) 7.161 3.012 ( -0.344 0.000 1.627) 1.663 3.040 ( 3.746 0.000 3.761) 5.308 3.057 ( 11.906 0.000 1.330) 11.980 3.208 ( -0.841 0.000 5.070) 5.139 3.335 ( 1.932 0.000 -4.029) 4.468 3.481 ( 1.925 0.000 3.405) 3.912 3.601 ( -9.196 0.000 -1.125) 9.265 3.739 ( -0.783 0.000 10.578) 10.607 3.964 ( 3.495 0.000 7.724) 8.479 3.988 ( -3.433 0.000 2.383) 4.180 4.097 ( -7.450 0.000 10.525) 12.894 4.207 ( -0.936 0.000 9.810) 9.855 4.302 ( -3.879 0.000 3.909) 5.507 4.357 ( 0.505 0.000 4.955) 4.981 4.404 ( -1.167 0.000 4.890) 5.027 4.563 ( 4.146 0.000 11.288) 12.026 4.576 ( 5.033 0.000 -0.448) 5.053 4.696 ( -3.458 0.000 10.566) 11.118 4.731 ( -11.055 0.000 -2.757) 11.393 4.751 ( 10.618 0.000 3.071) 11.053 4.962 ( -1.520 0.000 0.763) 1.700 4.999 ( 1.595 0.000 3.765) 4.088 5.084 ( -4.593 0.000 4.381) 6.347 5.107 ( 11.667 0.000 -7.350) 13.789 5.125 ( 8.491 0.000 -4.131) 9.442 5.261 ( 3.379 0.000 9.182) 9.784 5.347 ( 7.698 0.000 10.515) 13.032 5.402 ( -1.263 0.000 -0.465) 1.346 5.436 ( 2.746 0.000 0.946) 2.904 5.500 ( -3.852 0.000 2.133) 4.404 5.604 ( -0.203 0.000 -0.236) 0.311 5.643 ( -6.820 0.000 -2.825) 7.382 5.724 ( -3.699 0.000 -0.113) 3.701 5.736 ( -0.247 0.000 -0.316) 0.401 5.930 ( -3.245 0.000 11.206) 11.666 6.029 ( -0.737 0.000 -5.491) 5.540 6.112 ( 4.981 0.000 9.113) 10.385 6.249 ( 6.703 0.000 -0.538) 6.724 6.315 ( -7.063 0.000 2.189) 7.394 6.377 ( -7.001 0.000 -2.505) 7.435 6.421 ( -8.233 0.000 4.159) 9.224 6.517 ( -7.473 0.000 -5.150) 9.076 6.541 ( -6.362 0.000 -0.378) 6.373 6.704 ( -0.826 0.000 -0.223) 0.855 6.889 ( 0.568 0.000 -3.594) 3.639 6.940 ( -4.935 0.000 3.122) 5.840 7.099 ( 9.603 0.000 -9.408) 13.443 7.153 ( 1.869 0.000 -3.509) 3.976 7.219 ( -1.766 0.000 1.532) 2.338 7.302 ( -1.608 0.000 2.555) 3.019 7.365 ( -6.923 0.000 -2.181) 7.259 7.545 ( 1.753 0.000 1.485) 2.297 7.547 ( 7.550 0.000 0.502) 7.567 7.566 ( 1.271 0.000 -5.787) 5.925 7.652 ( -2.109 0.000 8.050) 8.322 7.802 ( 0.527 0.000 -6.158) 6.180 7.886 ( -8.538 0.000 2.245) 8.828 8.066 ( 1.343 0.000 -2.583) 2.912 8.161 ( 0.777 0.000 3.241) 3.333 8.207 ( 6.565 0.000 -3.402) 7.394 8.315 ( 16.297 0.000 0.544) 16.306 8.325 ( 3.085 0.000 -3.255) 4.485 8.465 ( 7.467 0.000 -8.226) 11.110 8.670 ( -0.439 0.000 -7.265) 7.278 8.694 ( 5.423 0.000 0.220) 5.427 8.715 ( -2.049 0.000 -2.686) 3.378 8.817 ( -4.149 0.000 -3.086) 5.171 8.846 ( -1.104 0.000 1.323) 1.723 8.958 ( 3.121 0.000 7.330) 7.967 8.984 ( -2.603 0.000 -1.938) 3.245 9.103 ( 0.575 0.000 -4.109) 4.149 9.109 ( -6.647 0.000 -0.607) 6.674 9.232 ( 5.437 0.000 3.081) 6.250 9.241 ( -1.889 0.000 -1.758) 2.580 9.382 ( -0.244 0.000 -7.088) 7.092 9.407 ( -2.693 0.000 -1.382) 3.026 9.595 ( 7.001 0.000 -9.311) 11.649 9.740 ( 9.156 0.000 -3.398) 9.766 9.742 ( 2.367 0.000 -5.495) 5.983 9.932 ( -7.138 0.000 -1.425) 7.279 9.955 ( 3.608 0.000 -4.248) 5.574 10.089 ( -3.932 0.000 2.406) 4.610 10.106 ( -6.051 0.000 -4.625) 7.616 10.168 ( 0.066 0.000 -5.250) 5.250 11.439 ( 0.661 0.000 1.210) 1.379 11.447 ( -0.782 0.000 -0.012) 0.782 11.713 ( -4.366 0.000 2.262) 4.917 11.722 ( 5.266 0.000 -0.708) 5.313 11.873 ( -0.373 0.000 0.605) 0.710 11.894 ( 0.242 0.000 0.321) 0.402 11.970 ( -0.484 0.000 0.757) 0.898 12.080 ( 0.464 0.000 -0.053) 0.467 12.230 ( -0.515 0.000 7.556) 7.574 12.315 ( -1.703 0.000 5.469) 5.728 12.415 ( 0.031 0.000 3.143) 3.143 12.484 ( -1.420 0.000 7.076) 7.217 12.647 ( 1.559 0.000 -4.175) 4.456 12.740 ( -0.535 0.000 2.511) 2.568 12.847 ( 2.362 0.000 -3.067) 3.872 12.849 ( -2.076 0.000 3.129) 3.755 13.018 ( -4.380 0.000 2.007) 4.818 13.064 ( 1.941 0.000 -0.985) 2.176 13.157 ( -1.072 0.000 -3.439) 3.602 13.319 ( -4.147 0.000 -2.498) 4.842 13.587 ( -2.296 0.000 0.515) 2.353 13.663 ( -1.712 0.000 -1.367) 2.191 13.753 ( 1.162 0.000 -1.050) 1.566 13.799 ( -6.385 0.000 -2.751) 6.952 14.235 ( -3.523 0.000 3.477) 4.950 14.305 ( -6.410 0.000 3.866) 7.486 14.445 ( 8.969 0.000 -0.534) 8.985 14.450 ( 0.009 0.000 0.801) 0.801 14.506 ( -1.195 0.000 -1.049) 1.590 14.676 ( 3.252 0.000 -3.542) 4.809 14.817 ( 5.778 0.000 -0.079) 5.778 14.919 ( 0.773 0.000 4.127) 4.199 17.441 ( -3.230 0.000 3.295) 4.615 17.448 ( -2.329 0.000 1.324) 2.679 17.553 ( -1.252 0.000 4.118) 4.305 17.619 ( -1.687 0.000 3.347) 3.748 17.777 ( 2.076 0.000 -0.476) 2.130 17.780 ( -1.340 0.000 0.588) 1.463 17.893 ( 0.674 0.000 -0.766) 1.020 18.010 ( 2.360 0.000 -2.031) 3.113 18.426 ( -1.700 0.000 1.953) 2.589 18.439 ( 6.446 0.000 2.949) 7.089 18.557 ( -1.041 0.000 4.477) 4.596 18.561 ( -1.033 0.000 0.264) 1.067 18.727 ( -0.927 0.000 -4.180) 4.282 18.766 ( 0.775 0.000 0.482) 0.913 18.868 ( 2.113 0.000 1.162) 2.411 18.948 ( 3.861 0.000 -0.858) 3.955 19.431 ( -0.595 0.000 2.303) 2.379 19.769 ( -0.197 0.000 0.425) 0.468 19.927 ( 0.884 0.000 -2.242) 2.410 19.934 ( -0.274 0.000 0.318) 0.420 19.962 ( 0.018 0.000 -0.442) 0.443 20.061 ( 1.655 0.000 -6.458) 6.666 20.324 ( 1.449 0.000 -0.773) 1.642 20.427 ( -0.473 0.000 -1.732) 1.795 20.509 ( -0.122 0.000 0.433) 0.450 20.517 ( -0.012 0.000 1.234) 1.234 20.685 ( 0.004 0.000 -0.002) 0.005 20.769 ( 0.748 0.000 0.918) 1.184 20.867 ( -1.436 0.000 -1.002) 1.751 21.030 ( -1.633 0.000 -1.124) 1.982 21.183 ( 0.385 0.000 -0.641) 0.748 21.236 ( 0.881 0.000 -4.988) 5.065 24.529 ( 0.013 0.000 0.606) 0.606 24.573 ( -2.196 0.000 2.277) 3.163 24.573 ( -0.188 0.000 0.309) 0.361 24.621 ( -0.983 0.000 0.513) 1.109 24.961 ( -0.032 0.000 0.276) 0.278 25.025 ( -0.447 0.000 -1.195) 1.275 25.134 ( -0.183 0.000 0.755) 0.777 25.134 ( 1.406 0.000 -0.056) 1.407 28.476 ( 1.849 0.000 -0.638) 1.956 28.508 ( -0.275 0.000 -1.977) 1.996 28.515 ( 1.637 0.000 -0.241) 1.655 28.554 ( 1.348 0.000 -0.793) 1.564 28.576 ( -0.397 0.000 -1.001) 1.077 28.595 ( -0.727 0.000 -0.584) 0.933 28.638 ( -2.164 0.000 -0.663) 2.263 28.677 ( 0.474 0.000 -1.351) 1.432 35.297 ( -1.079 0.000 2.328) 2.565 35.394 ( 2.435 0.000 -1.108) 2.676 35.545 ( 5.037 0.000 -3.476) 6.120 35.809 ( 14.633 0.000 -6.694) 16.091 36.251 ( -0.223 0.000 1.026) 1.050 36.447 ( -1.022 0.000 -2.315) 2.531 36.583 ( 0.039 0.000 0.004) 0.040 37.558 ( -1.233 0.000 0.726) 1.431 37.585 ( -0.870 0.000 -4.040) 4.133 37.849 ( 1.011 0.000 -1.639) 1.926 37.884 ( 11.322 0.000 1.948) 11.488 38.023 ( -0.377 0.000 -2.274) 2.305 38.099 ( -0.244 0.000 -4.685) 4.691 38.273 ( 2.182 0.000 -3.779) 4.363 38.471 ( -0.812 0.000 -1.344) 1.570 38.576 ( -0.395 0.000 -1.977) 2.017 38.623 ( 2.661 0.000 -5.530) 6.137 38.895 ( 0.031 0.000 -2.714) 2.714 38.985 ( 0.665 0.000 1.666) 1.794 39.141 ( 5.576 0.000 0.387) 5.589 39.242 ( -5.031 0.000 0.975) 5.124 39.376 ( -0.927 0.000 -3.089) 3.225 39.451 ( 2.337 0.000 1.109) 2.586 39.553 ( 4.389 0.000 3.063) 5.352 39.571 ( 1.824 0.000 4.475) 4.832 39.801 ( 2.389 0.000 10.103) 10.381 39.904 ( -1.350 0.000 -4.659) 4.851 40.018 ( -4.688 0.000 13.854) 14.626 40.394 ( -0.354 0.000 -8.650) 8.657 40.522 ( -2.714 0.000 10.545) 10.888 40.640 ( -11.657 0.000 -9.142) 14.814 41.688 ( 2.086 0.000 -7.380) 7.669 ======================= Grid point 47 (24/66) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -17.975 0.000 8.082) 19.708 0.915 ( -12.679 0.000 7.948) 14.964 1.428 ( 15.389 0.000 2.775) 15.637 1.445 ( 11.001 0.000 10.704) 15.350 1.644 ( 2.320 0.000 -1.837) 2.959 1.770 ( 0.824 0.000 1.877) 2.050 1.789 ( 0.629 0.000 3.078) 3.142 1.915 ( 0.305 0.000 -0.444) 0.539 1.934 ( -2.162 0.000 -4.185) 4.711 2.105 ( 0.371 0.000 3.012) 3.034 2.180 ( -6.608 0.000 1.656) 6.812 2.198 ( -1.613 0.000 -3.089) 3.484 2.255 ( 1.140 0.000 -1.272) 1.708 2.373 ( 4.228 0.000 -2.964) 5.164 2.403 ( 0.832 0.000 -0.307) 0.887 2.474 ( 1.106 0.000 -1.958) 2.249 2.502 ( -2.852 0.000 4.141) 5.028 2.633 ( 0.874 0.000 2.816) 2.948 2.635 ( 4.375 0.000 7.860) 8.995 2.684 ( -7.142 0.000 4.128) 8.249 2.972 ( -4.281 0.000 4.705) 6.361 3.153 ( 4.782 0.000 4.189) 6.357 3.212 ( 0.073 0.000 -4.857) 4.858 3.296 ( -1.847 0.000 0.199) 1.858 3.304 ( 7.615 0.000 0.995) 7.679 3.451 ( -4.952 0.000 1.410) 5.148 3.473 ( -5.635 0.000 5.577) 7.929 3.786 ( 4.021 0.000 5.754) 7.019 3.871 ( -7.874 0.000 5.223) 9.449 4.017 ( -0.513 0.000 8.240) 8.256 4.071 ( 0.768 0.000 6.243) 6.290 4.160 ( -7.422 0.000 6.776) 10.050 4.261 ( -2.568 0.000 8.364) 8.749 4.347 ( -2.526 0.000 4.276) 4.967 4.401 ( -12.215 0.000 -5.354) 13.337 4.510 ( 6.862 0.000 5.612) 8.865 4.634 ( 0.764 0.000 7.021) 7.063 4.702 ( 0.028 0.000 9.593) 9.593 4.710 ( 0.284 0.000 12.509) 12.512 4.879 ( -2.838 0.000 1.964) 3.451 4.941 ( 0.554 0.000 -0.404) 0.685 4.973 ( -1.336 0.000 1.990) 2.397 5.096 ( 0.763 0.000 8.733) 8.766 5.225 ( 0.135 0.000 1.848) 1.853 5.260 ( 0.918 0.000 3.980) 4.084 5.300 ( -14.442 0.000 11.077) 18.200 5.404 ( 0.204 0.000 4.200) 4.205 5.425 ( 1.013 0.000 -2.166) 2.391 5.447 ( 5.024 0.000 1.552) 5.258 5.554 ( 0.137 0.000 1.117) 1.125 5.597 ( -0.020 0.000 -1.589) 1.589 5.631 ( 6.041 0.000 0.737) 6.086 5.731 ( -1.608 0.000 1.679) 2.325 5.754 ( 8.716 0.000 4.146) 9.651 5.968 ( 6.414 0.000 4.322) 7.734 6.006 ( 0.088 0.000 -1.964) 1.966 6.060 ( -5.757 0.000 -4.523) 7.321 6.147 ( -9.680 0.000 1.930) 9.871 6.207 ( -7.532 0.000 -4.654) 8.854 6.262 ( -4.918 0.000 0.223) 4.923 6.344 ( 2.762 0.000 3.677) 4.599 6.582 ( 6.967 0.000 1.376) 7.102 6.652 ( 15.263 0.000 10.925) 18.770 6.705 ( 2.646 0.000 -0.123) 2.649 6.835 ( -8.945 0.000 2.940) 9.416 6.895 ( 1.968 0.000 -2.383) 3.090 7.110 ( -0.778 0.000 2.412) 2.535 7.137 ( -3.412 0.000 -1.720) 3.821 7.235 ( -4.126 0.000 -4.904) 6.409 7.286 ( 6.154 0.000 -5.240) 8.082 7.304 ( 2.502 0.000 -6.340) 6.816 7.464 ( -4.073 0.000 -10.457) 11.222 7.472 ( -2.474 0.000 5.331) 5.877 7.613 ( -3.923 0.000 2.330) 4.563 7.719 ( -5.359 0.000 1.823) 5.660 7.787 ( 3.285 0.000 -6.515) 7.296 7.852 ( 5.738 0.000 0.590) 5.768 8.033 ( -1.517 0.000 -5.020) 5.244 8.176 ( -0.493 0.000 0.598) 0.775 8.280 ( 0.075 0.000 -1.169) 1.172 8.327 ( -1.101 0.000 -4.803) 4.928 8.526 ( -7.073 0.000 -2.791) 7.604 8.553 ( 6.001 0.000 -8.862) 10.703 8.602 ( 6.021 0.000 -4.708) 7.643 8.675 ( -0.119 0.000 -2.394) 2.397 8.758 ( -0.454 0.000 -2.316) 2.360 8.787 ( 3.735 0.000 -1.050) 3.880 8.829 ( -4.259 0.000 -2.902) 5.154 8.926 ( -0.285 0.000 0.410) 0.499 8.965 ( -5.450 0.000 0.318) 5.459 9.065 ( 3.288 0.000 6.280) 7.089 9.103 ( 2.924 0.000 0.375) 2.948 9.259 ( 1.459 0.000 2.380) 2.792 9.267 ( -2.335 0.000 0.411) 2.371 9.321 ( -1.668 0.000 -10.606) 10.736 9.463 ( 7.925 0.000 -3.194) 8.544 9.668 ( 3.200 0.000 -8.938) 9.494 9.769 ( -3.961 0.000 -7.155) 8.179 9.802 ( 2.611 0.000 -3.180) 4.114 9.855 ( 0.735 0.000 -2.254) 2.371 9.966 ( -2.106 0.000 0.830) 2.264 10.013 ( 2.316 0.000 -10.192) 10.452 10.025 ( 0.146 0.000 -1.335) 1.343 10.144 ( 0.771 0.000 -5.417) 5.471 11.421 ( -0.939 0.000 -0.889) 1.293 11.461 ( 0.258 0.000 1.765) 1.783 11.650 ( -2.975 0.000 3.010) 4.232 11.822 ( 4.441 0.000 -2.503) 5.098 11.859 ( -1.068 0.000 1.429) 1.784 11.908 ( 0.773 0.000 -0.336) 0.843 11.984 ( 1.749 0.000 -0.102) 1.752 12.079 ( -0.690 0.000 0.094) 0.697 12.278 ( 0.816 0.000 9.658) 9.692 12.323 ( 0.042 0.000 5.274) 5.274 12.418 ( -1.557 0.000 4.492) 4.754 12.514 ( 1.955 0.000 6.775) 7.052 12.651 ( 0.655 0.000 -3.619) 3.678 12.748 ( -0.093 0.000 0.493) 0.501 12.840 ( 0.211 0.000 5.561) 5.565 12.915 ( 4.967 0.000 -2.695) 5.651 12.941 ( -5.007 0.000 3.880) 6.335 13.089 ( -2.475 0.000 -2.007) 3.186 13.157 ( 4.659 0.000 -1.232) 4.819 13.185 ( -5.474 0.000 -0.557) 5.503 13.509 ( -4.466 0.000 -1.769) 4.804 13.587 ( -3.677 0.000 -1.728) 4.062 13.717 ( -0.759 0.000 -0.606) 0.971 13.762 ( 0.008 0.000 -3.102) 3.102 14.193 ( -4.942 0.000 3.401) 5.999 14.194 ( -1.568 0.000 3.017) 3.400 14.335 ( -4.850 0.000 1.990) 5.243 14.558 ( 2.046 0.000 -0.170) 2.053 14.590 ( 3.738 0.000 -1.877) 4.183 14.635 ( -5.071 0.000 -0.310) 5.080 14.901 ( 1.418 0.000 1.515) 2.075 14.948 ( -0.330 0.000 3.566) 3.582 17.425 ( -0.169 0.000 1.131) 1.143 17.456 ( 1.925 0.000 -1.392) 2.375 17.563 ( -3.609 0.000 3.973) 5.367 17.591 ( 3.449 0.000 2.828) 4.460 17.786 ( 1.859 0.000 1.222) 2.224 17.864 ( 4.595 0.000 -2.047) 5.030 17.960 ( 5.597 0.000 -0.897) 5.668 18.078 ( 5.797 0.000 -5.181) 7.775 18.377 ( -3.394 0.000 2.177) 4.032 18.474 ( -4.155 0.000 0.926) 4.257 18.535 ( -2.987 0.000 4.986) 5.812 18.607 ( 4.996 0.000 0.371) 5.009 18.734 ( 2.853 0.000 -2.339) 3.690 18.781 ( 0.049 0.000 0.838) 0.839 18.886 ( -1.053 0.000 1.310) 1.681 18.982 ( -1.030 0.000 0.107) 1.036 19.436 ( -0.034 0.000 2.519) 2.519 19.768 ( -0.074 0.000 0.440) 0.446 19.927 ( -0.392 0.000 0.239) 0.459 19.938 ( 0.916 0.000 -2.312) 2.487 19.961 ( 0.149 0.000 -0.392) 0.419 20.055 ( 0.595 0.000 -6.917) 6.943 20.347 ( 0.829 0.000 -1.031) 1.324 20.428 ( 1.378 0.000 -1.482) 2.024 20.509 ( -0.080 0.000 0.441) 0.449 20.516 ( -0.804 0.000 1.949) 2.108 20.683 ( -0.112 0.000 -0.008) 0.112 20.800 ( 2.178 0.000 -0.156) 2.184 20.824 ( -2.457 0.000 0.480) 2.504 21.015 ( 0.746 0.000 -0.755) 1.061 21.187 ( 0.171 0.000 -0.365) 0.403 21.237 ( 1.280 0.000 -4.987) 5.148 24.522 ( -1.271 0.000 0.928) 1.573 24.554 ( 0.102 0.000 1.705) 1.708 24.558 ( -1.037 0.000 0.063) 1.039 24.607 ( -0.279 0.000 -0.060) 0.285 24.960 ( -0.316 0.000 0.782) 0.843 25.026 ( 0.735 0.000 -0.437) 0.855 25.106 ( -2.678 0.000 1.646) 3.143 25.156 ( 0.441 0.000 -0.153) 0.467 28.493 ( -0.315 0.000 -1.526) 1.558 28.494 ( -0.309 0.000 -0.990) 1.037 28.545 ( 1.436 0.000 -1.386) 1.996 28.564 ( -0.295 0.000 -0.336) 0.447 28.581 ( -0.900 0.000 -0.148) 0.912 28.597 ( 1.132 0.000 -0.293) 1.170 28.598 ( 1.474 0.000 -1.273) 1.947 28.673 ( -0.121 0.000 -1.631) 1.636 35.291 ( -0.591 0.000 2.600) 2.666 35.429 ( 1.180 0.000 -2.260) 2.549 35.635 ( 4.027 0.000 -5.006) 6.424 36.103 ( 16.315 0.000 -15.430) 22.456 36.264 ( 1.008 0.000 0.860) 1.325 36.428 ( 0.612 0.000 -1.083) 1.244 36.554 ( -2.653 0.000 0.837) 2.782 37.523 ( -2.927 0.000 -5.561) 6.284 37.545 ( -0.139 0.000 0.803) 0.815 37.876 ( 1.740 0.000 -1.316) 2.181 38.003 ( -0.117 0.000 -2.730) 2.732 38.087 ( 2.903 0.000 -5.564) 6.276 38.118 ( 8.137 0.000 -0.039) 8.137 38.263 ( -0.882 0.000 -10.737) 10.774 38.451 ( -0.241 0.000 -0.971) 1.000 38.561 ( -0.013 0.000 -1.671) 1.671 38.650 ( 1.875 0.000 -5.569) 5.876 38.887 ( 0.217 0.000 -3.017) 3.025 38.982 ( -1.959 0.000 1.441) 2.432 39.175 ( -0.630 0.000 1.324) 1.467 39.244 ( 4.852 0.000 -0.203) 4.856 39.375 ( 1.881 0.000 -2.853) 3.417 39.479 ( -2.168 0.000 -6.627) 6.972 39.621 ( -1.038 0.000 2.034) 2.284 39.630 ( 1.303 0.000 4.876) 5.047 39.854 ( -3.192 0.000 -4.473) 5.495 39.882 ( 0.614 0.000 8.338) 8.360 39.947 ( -7.512 0.000 14.549) 16.374 40.184 ( -4.126 0.000 -10.360) 11.151 40.514 ( -2.477 0.000 10.633) 10.917 40.611 ( 5.325 0.000 6.842) 8.670 41.598 ( -6.948 0.000 -6.535) 9.538 ======================= Grid point 48 (25/66) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -5.847 0.000 18.266) 19.179 0.898 ( 4.423 0.000 23.072) 23.492 1.597 ( -10.602 0.000 2.026) 10.794 1.649 ( 0.041 0.000 -2.502) 2.502 1.659 ( 4.015 0.000 6.937) 8.015 1.724 ( 1.430 0.000 0.230) 1.448 1.822 ( -1.285 0.000 3.522) 3.749 1.868 ( -5.045 0.000 3.374) 6.069 1.902 ( 1.774 0.000 -0.632) 1.883 2.019 ( -3.592 0.000 1.913) 4.070 2.068 ( -5.762 0.000 -1.570) 5.972 2.151 ( -17.527 0.000 6.051) 18.542 2.206 ( 3.151 0.000 0.890) 3.274 2.276 ( -1.929 0.000 0.144) 1.934 2.435 ( 2.672 0.000 2.774) 3.851 2.466 ( -2.656 0.000 2.854) 3.899 2.522 ( 6.385 0.000 -0.828) 6.438 2.587 ( 6.308 0.000 -0.061) 6.308 2.656 ( -0.109 0.000 3.553) 3.555 2.930 ( -1.549 0.000 5.784) 5.988 2.986 ( 14.334 0.000 1.721) 14.437 3.075 ( -8.400 0.000 -4.494) 9.527 3.205 ( -4.819 0.000 2.956) 5.653 3.218 ( -6.502 0.000 -1.423) 6.656 3.273 ( -4.410 0.000 4.803) 6.521 3.389 ( -4.435 0.000 -0.153) 4.437 3.591 ( 12.589 0.000 0.214) 12.591 3.731 ( -8.062 0.000 9.909) 12.774 3.895 ( 3.883 0.000 2.851) 4.817 4.002 ( -10.153 0.000 3.877) 10.868 4.056 ( 1.723 0.000 8.092) 8.273 4.152 ( 4.534 0.000 5.175) 6.880 4.281 ( 1.881 0.000 2.902) 3.458 4.282 ( -0.375 0.000 0.689) 0.785 4.300 ( -4.051 0.000 5.436) 6.780 4.572 ( -4.143 0.000 5.296) 6.724 4.609 ( -4.960 0.000 0.969) 5.054 4.711 ( -2.091 0.000 7.782) 8.058 4.753 ( -0.805 0.000 8.014) 8.055 4.816 ( -1.011 0.000 0.417) 1.094 4.889 ( -6.938 0.000 2.042) 7.233 5.025 ( -2.785 0.000 6.581) 7.146 5.087 ( 0.854 0.000 2.871) 2.995 5.101 ( -8.537 0.000 11.332) 14.188 5.149 ( -5.195 0.000 -1.673) 5.458 5.222 ( -3.918 0.000 3.885) 5.518 5.401 ( -11.508 0.000 2.444) 11.764 5.408 ( -1.104 0.000 -0.034) 1.105 5.478 ( 5.023 0.000 2.202) 5.485 5.480 ( 0.796 0.000 -0.157) 0.812 5.607 ( -3.474 0.000 -1.738) 3.885 5.727 ( 10.243 0.000 8.485) 13.301 5.781 ( -1.677 0.000 -0.448) 1.736 5.820 ( -1.623 0.000 4.558) 4.838 5.953 ( -7.812 0.000 3.570) 8.589 6.043 ( 0.332 0.000 -1.088) 1.138 6.061 ( 3.315 0.000 9.522) 10.083 6.170 ( -3.831 0.000 4.387) 5.824 6.192 ( 10.278 0.000 -1.071) 10.334 6.268 ( 16.020 0.000 -2.269) 16.180 6.447 ( -0.828 0.000 2.845) 2.963 6.634 ( -7.782 0.000 -0.140) 7.783 6.687 ( 8.106 0.000 2.142) 8.384 6.811 ( -4.638 0.000 -2.342) 5.196 6.892 ( 11.252 0.000 -4.735) 12.207 6.964 ( -1.696 0.000 2.801) 3.275 7.070 ( 1.763 0.000 2.566) 3.113 7.099 ( -1.642 0.000 0.781) 1.819 7.150 ( -3.668 0.000 -6.119) 7.134 7.288 ( -0.985 0.000 -8.330) 8.388 7.412 ( 15.880 0.000 2.850) 16.133 7.452 ( -5.683 0.000 3.791) 6.831 7.510 ( 7.190 0.000 -0.833) 7.238 7.546 ( 5.073 0.000 -3.146) 5.970 7.671 ( 0.528 0.000 -3.586) 3.624 7.826 ( -6.456 0.000 -4.705) 7.989 7.893 ( -14.710 0.000 -1.308) 14.768 7.924 ( 9.633 0.000 -3.850) 10.374 8.085 ( -8.308 0.000 -3.196) 8.901 8.174 ( -3.997 0.000 -6.094) 7.288 8.286 ( -0.359 0.000 0.966) 1.031 8.343 ( -8.508 0.000 2.964) 9.009 8.555 ( -8.577 0.000 -5.342) 10.104 8.648 ( -0.536 0.000 4.388) 4.421 8.685 ( -1.717 0.000 -5.177) 5.455 8.703 ( 4.452 0.000 -7.936) 9.099 8.772 ( 3.849 0.000 -2.059) 4.365 8.854 ( -0.325 0.000 0.242) 0.405 8.922 ( 2.203 0.000 0.085) 2.205 8.950 ( 1.320 0.000 0.213) 1.337 9.161 ( 3.951 0.000 4.001) 5.623 9.177 ( 4.303 0.000 1.258) 4.483 9.185 ( -5.784 0.000 0.851) 5.846 9.266 ( -1.356 0.000 -5.824) 5.980 9.343 ( 5.875 0.000 -2.486) 6.379 9.556 ( 1.225 0.000 -6.534) 6.647 9.604 ( -4.969 0.000 -5.124) 7.138 9.683 ( 2.587 0.000 -8.522) 8.906 9.813 ( -5.738 0.000 -4.386) 7.223 9.835 ( -0.364 0.000 -3.369) 3.388 9.984 ( 4.716 0.000 1.078) 4.838 10.026 ( 5.689 0.000 -8.259) 10.029 10.067 ( 2.582 0.000 -0.187) 2.589 10.203 ( 4.403 0.000 -1.571) 4.675 11.407 ( -0.144 0.000 -0.128) 0.193 11.467 ( -0.297 0.000 1.703) 1.729 11.621 ( -1.084 0.000 2.728) 2.936 11.850 ( -0.222 0.000 1.068) 1.091 11.853 ( -0.252 0.000 -2.096) 2.111 11.915 ( -0.117 0.000 0.050) 0.127 12.015 ( 0.484 0.000 -2.023) 2.080 12.065 ( -0.412 0.000 2.639) 2.671 12.286 ( -3.994 0.000 9.411) 10.223 12.351 ( 0.312 0.000 4.850) 4.860 12.389 ( -3.090 0.000 5.581) 6.379 12.611 ( -1.181 0.000 6.765) 6.867 12.649 ( 0.408 0.000 -2.892) 2.921 12.744 ( 1.725 0.000 -0.722) 1.870 12.799 ( -2.202 0.000 6.062) 6.449 12.960 ( -3.522 0.000 -0.983) 3.656 13.029 ( 1.120 0.000 -0.843) 1.402 13.036 ( 13.403 0.000 4.157) 14.033 13.156 ( 1.654 0.000 -3.581) 3.945 13.217 ( 0.622 0.000 -1.798) 1.902 13.425 ( -1.692 0.000 -3.070) 3.506 13.556 ( 2.152 0.000 -3.095) 3.770 13.733 ( 1.646 0.000 0.974) 1.912 13.747 ( 0.442 0.000 -2.374) 2.415 14.166 ( 2.052 0.000 -0.347) 2.081 14.217 ( 3.466 0.000 0.962) 3.597 14.347 ( 5.365 0.000 -0.839) 5.430 14.482 ( -7.527 0.000 -1.593) 7.694 14.569 ( -1.983 0.000 -0.706) 2.105 14.600 ( -2.144 0.000 0.337) 2.170 14.877 ( -4.356 0.000 2.485) 5.015 14.934 ( -2.479 0.000 5.244) 5.801 17.446 ( 1.488 0.000 0.554) 1.588 17.479 ( 1.251 0.000 -1.107) 1.671 17.546 ( 0.433 0.000 2.857) 2.890 17.680 ( 3.780 0.000 0.719) 3.848 17.856 ( 3.694 0.000 2.040) 4.220 17.885 ( -2.436 0.000 1.087) 2.667 18.030 ( -0.519 0.000 0.576) 0.775 18.152 ( 1.843 0.000 -6.792) 7.038 18.359 ( 1.735 0.000 1.153) 2.084 18.369 ( -6.469 0.000 -0.352) 6.478 18.506 ( -1.061 0.000 4.194) 4.326 18.635 ( -2.593 0.000 -0.679) 2.681 18.773 ( -0.781 0.000 0.347) 0.855 18.790 ( 2.066 0.000 -2.387) 3.157 18.848 ( -2.713 0.000 1.171) 2.955 18.907 ( -5.185 0.000 2.854) 5.919 19.443 ( -0.435 0.000 2.368) 2.407 19.770 ( 0.025 0.000 0.385) 0.386 19.925 ( 0.122 0.000 0.373) 0.392 19.938 ( 0.001 0.000 -1.748) 1.748 19.963 ( 0.133 0.000 -0.374) 0.397 20.037 ( 1.136 0.000 -7.150) 7.240 20.339 ( -1.167 0.000 -0.615) 1.319 20.455 ( 1.245 0.000 -1.510) 1.957 20.508 ( -0.472 0.000 1.570) 1.640 20.509 ( -0.065 0.000 0.429) 0.434 20.682 ( 0.044 0.000 -0.227) 0.231 20.784 ( -1.928 0.000 1.403) 2.384 20.848 ( 2.713 0.000 -1.620) 3.159 21.050 ( 2.795 0.000 -1.535) 3.189 21.184 ( -0.349 0.000 -0.313) 0.469 21.242 ( 1.257 0.000 -5.034) 5.188 24.505 ( -0.570 0.000 1.950) 2.032 24.549 ( 0.308 0.000 -0.148) 0.342 24.582 ( 1.297 0.000 2.394) 2.723 24.611 ( 0.646 0.000 0.062) 0.649 24.961 ( 0.333 0.000 0.538) 0.633 25.042 ( 0.847 0.000 -0.159) 0.862 25.065 ( -1.380 0.000 1.406) 1.970 25.144 ( -1.396 0.000 -0.230) 1.414 28.471 ( -1.156 0.000 -0.642) 1.322 28.489 ( 0.636 0.000 -1.330) 1.475 28.524 ( -1.659 0.000 -0.596) 1.762 28.555 ( -0.059 0.000 -1.747) 1.748 28.587 ( 1.060 0.000 -1.207) 1.607 28.619 ( 0.626 0.000 -0.126) 0.639 28.643 ( 2.263 0.000 -0.594) 2.339 28.663 ( -0.007 0.000 -1.535) 1.535 35.295 ( -0.043 0.000 2.368) 2.369 35.412 ( -1.806 0.000 -1.451) 2.317 35.645 ( -0.459 0.000 -3.531) 3.561 36.170 ( -7.066 0.000 -20.796) 21.964 36.281 ( -0.233 0.000 1.045) 1.071 36.448 ( 1.386 0.000 -3.822) 4.065 36.521 ( 0.050 0.000 -0.115) 0.125 37.439 ( -1.278 0.000 -6.125) 6.257 37.558 ( 0.774 0.000 1.351) 1.558 37.882 ( -0.486 0.000 -2.071) 2.128 38.009 ( 1.481 0.000 -1.531) 2.130 38.074 ( -12.553 0.000 -14.713) 19.340 38.120 ( 3.036 0.000 -5.199) 6.020 38.207 ( 1.170 0.000 -2.700) 2.943 38.469 ( 1.458 0.000 0.289) 1.486 38.564 ( 0.594 0.000 -0.250) 0.644 38.641 ( 0.465 0.000 -8.652) 8.664 38.896 ( 2.194 0.000 -1.201) 2.501 38.951 ( -1.275 0.000 3.175) 3.421 39.183 ( -15.839 0.000 -8.451) 17.952 39.221 ( 3.928 0.000 0.101) 3.929 39.335 ( 4.183 0.000 -0.042) 4.184 39.410 ( 2.069 0.000 -2.093) 2.944 39.527 ( -3.391 0.000 -4.143) 5.354 39.642 ( -2.498 0.000 5.402) 5.952 39.795 ( -8.107 0.000 7.070) 10.757 39.895 ( 3.644 0.000 7.535) 8.369 39.966 ( -0.284 0.000 14.904) 14.907 40.235 ( 6.173 0.000 -5.196) 8.069 40.517 ( -1.854 0.000 10.916) 11.073 40.883 ( 17.350 0.000 7.472) 18.891 41.412 ( -6.535 0.000 -6.783) 9.419 ======================= Grid point 49 (26/66) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.137 12.043 14.570) 19.024 1.114 ( -2.836 10.641 13.024) 17.055 1.336 ( -6.737 -4.100 3.090) 8.470 1.491 ( -8.419 -1.767 -3.167) 9.167 1.566 ( 1.830 -3.238 7.383) 8.267 1.684 ( -4.177 -0.743 7.513) 8.628 1.760 ( -1.458 3.518 8.442) 9.261 1.836 ( -2.028 -2.242 -2.605) 3.990 1.928 ( 2.559 -3.154 6.262) 7.464 1.949 ( -1.935 3.422 8.136) 9.036 2.042 ( 1.990 -0.165 -2.076) 2.880 2.099 ( 3.325 -2.192 0.468) 4.010 2.145 ( -0.171 -4.633 -2.119) 5.098 2.321 ( 0.992 2.041 0.712) 2.378 2.429 ( -3.789 2.526 4.399) 6.332 2.475 ( -0.834 -4.617 1.825) 5.034 2.528 ( 1.263 -5.388 0.343) 5.545 2.618 ( -0.355 -3.293 1.806) 3.773 2.708 ( 6.846 -5.239 3.632) 9.354 2.763 ( -8.025 0.931 -1.576) 8.231 2.866 ( 3.137 -7.390 1.034) 8.095 3.018 ( -5.650 -1.149 -2.312) 6.212 3.145 ( -3.509 4.351 -1.839) 5.884 3.293 ( 3.622 2.784 -3.230) 5.595 3.423 ( -1.881 7.869 3.590) 8.852 3.548 ( 3.097 6.738 -0.014) 7.416 3.734 ( -0.575 7.577 10.502) 12.963 3.917 ( -0.931 8.677 3.821) 9.527 3.937 ( -2.490 8.087 1.261) 8.555 4.042 ( 2.816 3.657 2.367) 5.187 4.133 ( 1.475 -0.252 6.924) 7.083 4.194 ( -5.554 -1.653 8.501) 10.288 4.308 ( 4.617 -1.846 4.223) 6.524 4.349 ( 2.714 2.657 5.119) 6.374 4.373 ( -3.669 0.505 3.384) 5.016 4.399 ( -0.819 2.482 5.372) 5.974 4.563 ( -5.322 -0.900 3.428) 6.394 4.650 ( 1.551 -0.730 5.757) 6.007 4.729 ( -0.430 -0.511 2.067) 2.172 4.794 ( 0.875 0.444 1.819) 2.067 4.870 ( 4.726 -2.137 -1.798) 5.489 4.919 ( 1.222 -2.119 3.032) 3.895 4.959 ( 1.050 -1.036 0.460) 1.545 5.071 ( -1.841 -0.586 6.812) 7.080 5.138 ( -1.257 -0.283 1.369) 1.879 5.191 ( -3.020 1.177 4.324) 5.404 5.231 ( -1.321 -5.747 9.017) 10.774 5.376 ( -1.057 -2.691 3.209) 4.319 5.524 ( -4.376 -4.054 4.015) 7.190 5.601 ( 3.335 2.652 -4.189) 5.975 5.626 ( -2.229 -2.876 -0.089) 3.640 5.682 ( -2.788 5.704 -5.038) 8.105 5.736 ( 1.523 0.837 -0.836) 1.929 5.877 ( -5.161 3.199 4.578) 7.604 5.904 ( 2.152 0.751 9.870) 10.130 6.047 ( 1.047 0.051 -3.180) 3.348 6.085 ( -6.694 2.565 6.462) 9.651 6.243 ( -5.059 1.043 -2.676) 5.818 6.389 ( 0.865 4.466 -0.136) 4.551 6.448 ( 0.316 0.612 5.259) 5.304 6.504 ( 5.068 -1.148 1.546) 5.422 6.596 ( -0.625 -1.255 -2.783) 3.117 6.670 ( -0.948 -4.743 -4.329) 6.491 6.787 ( -10.687 0.377 -4.299) 11.526 6.806 ( 0.875 3.032 0.803) 3.256 6.936 ( 4.282 -0.878 -4.216) 6.073 7.067 ( 2.123 -2.185 -1.759) 3.518 7.149 ( -3.317 2.327 -5.857) 7.122 7.230 ( 1.982 4.758 1.414) 5.345 7.366 ( 0.254 4.782 -0.000) 4.789 7.459 ( -1.335 2.621 6.051) 6.728 7.496 ( -0.558 2.906 -0.696) 3.040 7.615 ( 1.296 -2.384 -0.599) 2.779 7.640 ( 0.539 1.550 -1.822) 2.452 7.671 ( 0.991 3.495 0.866) 3.734 7.809 ( 4.188 0.167 4.449) 6.112 7.980 ( 4.528 7.123 0.795) 8.478 7.993 ( 5.323 6.220 -0.621) 8.210 8.129 ( -1.502 2.909 -2.181) 3.934 8.221 ( 2.293 1.259 -6.970) 7.444 8.251 ( -3.322 7.118 1.698) 8.036 8.298 ( 3.649 2.527 -3.330) 5.549 8.375 ( 1.062 2.226 2.205) 3.308 8.491 ( 0.170 -6.351 -4.961) 8.061 8.656 ( 1.536 -7.027 -0.226) 7.197 8.725 ( 3.390 -3.624 -0.048) 4.963 8.749 ( -1.700 -1.200 -1.948) 2.851 8.809 ( -0.851 -6.776 -0.662) 6.861 8.987 ( 1.695 -1.616 -0.473) 2.389 9.006 ( 2.426 -0.382 -0.972) 2.641 9.086 ( -5.380 -0.777 2.263) 5.888 9.170 ( 0.836 0.552 -1.150) 1.525 9.240 ( 2.368 -0.792 0.753) 2.608 9.301 ( 2.127 0.434 -5.886) 6.273 9.358 ( -1.421 4.062 -5.842) 7.256 9.469 ( -3.231 1.375 -7.251) 8.057 9.486 ( -0.091 -3.115 -2.821) 4.204 9.595 ( -2.827 -6.177 -2.819) 7.355 9.678 ( 3.811 -5.928 -7.651) 10.402 9.794 ( 3.861 -5.611 -4.546) 8.188 10.014 ( -0.862 -0.738 0.345) 1.186 10.060 ( 1.668 -1.944 1.823) 3.144 10.182 ( 3.187 2.783 -4.695) 6.320 10.233 ( -0.198 0.004 -2.139) 2.148 11.407 ( 0.358 -0.477 1.264) 1.398 11.441 ( -0.905 -1.631 1.228) 2.234 11.654 ( 2.456 1.015 -1.156) 2.898 11.734 ( -1.350 -3.500 -1.673) 4.107 11.841 ( -0.389 -0.724 1.661) 1.854 11.946 ( -3.418 0.501 4.483) 5.660 11.977 ( -1.013 -0.309 0.355) 1.117 12.063 ( -0.747 -0.342 1.655) 1.848 12.321 ( -1.339 5.356 4.969) 7.428 12.367 ( -3.068 2.423 4.233) 5.762 12.422 ( 1.118 1.807 3.705) 4.272 12.506 ( -4.644 -1.989 4.279) 6.620 12.624 ( -1.720 -0.322 -1.085) 2.059 12.729 ( -2.497 -2.235 2.327) 4.080 12.822 ( -0.210 -0.639 1.135) 1.319 12.873 ( -0.834 -0.408 -0.455) 1.034 13.031 ( 0.957 -0.979 -0.708) 1.541 13.086 ( -1.403 -1.879 -1.766) 2.936 13.238 ( -2.402 3.524 -2.458) 4.922 13.336 ( 3.133 -0.031 -5.363) 6.211 13.555 ( 9.395 2.044 -2.732) 9.995 13.622 ( 4.357 -0.236 -1.542) 4.628 13.740 ( 0.559 -0.740 0.781) 1.212 13.788 ( 4.806 -1.590 -0.783) 5.123 14.263 ( 2.678 0.030 -0.298) 2.695 14.308 ( 0.869 -1.634 -0.997) 2.102 14.330 ( 5.080 2.031 0.931) 5.550 14.423 ( 1.049 -1.215 0.411) 1.657 14.547 ( 3.582 0.894 -2.909) 4.700 14.602 ( -0.046 1.406 -0.657) 1.553 14.764 ( -4.975 -1.144 2.717) 5.783 14.862 ( -3.020 -3.853 6.665) 8.270 17.462 ( -0.443 -0.398 0.754) 0.961 17.487 ( 0.117 -0.851 0.412) 0.953 17.597 ( 0.554 0.855 2.578) 2.772 17.652 ( -5.447 -1.867 4.198) 7.126 17.803 ( -4.432 -0.327 2.433) 5.067 17.825 ( -5.572 -1.629 2.149) 6.191 17.972 ( -5.077 1.080 1.045) 5.295 17.998 ( -1.927 -0.164 0.620) 2.031 18.330 ( 2.428 0.665 1.787) 3.087 18.404 ( 3.061 -1.306 1.492) 3.647 18.546 ( 0.424 0.598 3.109) 3.195 18.570 ( -1.047 -0.263 1.245) 1.648 18.764 ( -0.176 -0.320 -0.427) 0.562 18.775 ( -1.693 -0.205 -1.340) 2.169 18.847 ( -0.127 1.041 -0.295) 1.090 18.862 ( -0.323 -0.741 1.296) 1.527 19.585 ( -0.297 10.387 -2.397) 10.664 19.820 ( -0.348 3.376 -1.713) 3.801 19.917 ( 0.203 -0.914 -1.525) 1.790 19.936 ( 0.491 -0.311 -0.662) 0.882 19.963 ( -0.061 -0.095 -0.617) 0.627 19.995 ( 2.042 -4.155 -5.264) 7.010 20.308 ( -0.893 0.034 -0.472) 1.011 20.398 ( -0.835 -3.387 -1.871) 3.958 20.515 ( -0.033 2.191 1.848) 2.867 20.575 ( 0.387 1.834 -0.849) 2.057 20.684 ( 0.079 0.788 -0.045) 0.793 20.777 ( -0.158 -0.343 -1.032) 1.099 20.899 ( 0.663 2.419 -2.088) 3.263 21.044 ( -0.499 -2.267 -2.879) 3.698 21.189 ( 0.540 1.073 -1.185) 1.687 21.239 ( 0.773 -0.376 -4.198) 4.285 24.519 ( 0.397 0.300 1.793) 1.861 24.558 ( 0.442 -0.880 0.966) 1.379 24.601 ( -0.142 0.677 1.729) 1.862 24.629 ( 0.253 -0.010 0.826) 0.864 24.967 ( -0.119 0.380 -0.072) 0.405 25.018 ( 0.317 -1.790 -0.183) 1.827 25.105 ( 1.502 0.518 0.269) 1.611 25.118 ( -0.395 -0.091 0.070) 0.412 28.451 ( 0.296 -0.090 -0.563) 0.642 28.479 ( 0.609 -0.942 -0.403) 1.192 28.527 ( 0.757 0.802 -1.170) 1.608 28.548 ( 0.135 -0.142 -1.635) 1.647 28.599 ( -0.261 0.870 -1.091) 1.419 28.625 ( -0.728 0.898 -0.563) 1.286 28.649 ( 0.104 -1.002 -0.936) 1.375 28.668 ( 0.444 -0.347 -1.073) 1.212 35.322 ( -0.269 1.390 1.401) 1.992 35.378 ( -0.378 -0.040 -0.538) 0.659 35.605 ( -5.222 -0.320 -2.331) 5.728 35.681 ( -9.027 -2.628 -3.133) 9.910 36.264 ( -1.316 0.023 0.752) 1.516 36.333 ( -0.496 -4.354 -0.567) 4.419 36.801 ( 4.735 14.051 -4.148) 15.397 37.375 ( 8.804 -9.797 -2.118) 13.341 37.600 ( -0.753 1.844 0.987) 2.223 37.744 ( -2.858 -4.351 0.452) 5.225 37.917 ( -0.769 4.346 -1.469) 4.652 38.116 ( -0.871 3.495 -2.936) 4.646 38.130 ( -1.189 -0.281 -2.880) 3.128 38.224 ( 3.399 1.438 -2.430) 4.418 38.425 ( 0.468 -2.528 -1.351) 2.904 38.569 ( 1.437 -4.042 -9.219) 10.169 38.659 ( -0.000 5.126 0.124) 5.128 38.880 ( -0.190 -3.485 -1.493) 3.796 38.975 ( 0.525 1.374 1.067) 1.817 39.037 ( 1.028 -0.465 -0.470) 1.223 39.327 ( 2.458 3.145 -0.049) 3.992 39.420 ( 3.145 0.437 -0.315) 3.190 39.430 ( -0.708 0.817 -1.931) 2.213 39.468 ( 0.784 -0.995 -1.299) 1.815 39.603 ( -4.622 1.988 4.839) 6.980 39.699 ( -2.376 -2.506 5.827) 6.774 39.912 ( -1.694 1.829 11.682) 11.945 40.127 ( 1.981 2.669 5.871) 6.747 40.384 ( 3.504 4.533 -2.320) 6.181 40.505 ( -5.970 0.328 7.159) 9.328 40.867 ( -4.837 -5.540 -7.087) 10.213 41.280 ( 11.020 -17.940 1.651) 21.119 ======================= Grid point 50 (27/66) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 3.647 2.764 5.462) 7.125 1.229 ( 1.776 4.295 2.121) 5.109 1.252 ( -6.616 7.949 3.950) 11.071 1.316 ( 2.955 5.316 7.283) 9.488 1.558 ( 2.281 -5.874 0.682) 6.339 1.677 ( -2.373 0.236 3.282) 4.057 1.788 ( -1.841 -6.115 -1.616) 6.587 1.877 ( 1.869 3.777 3.797) 5.673 1.911 ( 0.378 -7.122 4.704) 8.544 2.039 ( -1.352 0.013 -0.934) 1.643 2.087 ( 1.952 -1.558 1.251) 2.793 2.151 ( 2.046 -4.245 0.199) 4.717 2.192 ( 8.401 1.691 7.741) 11.548 2.310 ( 0.778 2.725 1.055) 3.024 2.399 ( -1.789 0.468 1.569) 2.425 2.414 ( -1.537 -3.350 1.048) 3.832 2.547 ( -1.199 -0.364 0.136) 1.260 2.621 ( 1.210 -0.284 1.740) 2.138 2.630 ( -4.256 3.935 0.112) 5.797 2.866 ( -1.149 -4.275 0.641) 4.472 2.937 ( 2.262 -4.501 2.355) 5.560 2.957 ( 6.739 -6.382 2.766) 9.685 3.085 ( -0.435 1.426 -1.125) 1.867 3.308 ( -0.600 -2.619 -3.653) 4.534 3.408 ( -1.071 13.039 4.185) 13.736 3.631 ( 3.968 10.031 1.441) 10.883 3.747 ( -9.093 7.786 4.831) 12.909 3.772 ( -1.180 5.427 6.413) 8.484 3.997 ( -2.376 1.988 2.544) 4.009 4.074 ( -1.576 1.907 9.781) 10.089 4.116 ( -2.690 3.776 7.403) 8.735 4.196 ( 0.665 0.796 7.741) 7.811 4.278 ( -3.967 -2.350 5.842) 7.442 4.331 ( -0.888 -1.292 5.115) 5.350 4.409 ( -0.594 1.422 6.230) 6.418 4.515 ( 5.494 -1.058 5.648) 7.950 4.576 ( 1.957 -0.229 0.311) 1.995 4.709 ( -2.079 -0.535 6.757) 7.090 4.780 ( -8.488 3.997 -1.098) 9.446 4.844 ( 9.115 2.571 4.211) 10.365 4.917 ( 1.530 -2.427 2.667) 3.917 4.998 ( 4.347 -1.495 2.824) 5.395 5.029 ( 2.247 1.568 -1.927) 3.350 5.079 ( 2.334 1.865 7.096) 7.700 5.129 ( 9.588 -2.939 -0.226) 10.031 5.245 ( 4.236 1.100 3.259) 5.456 5.310 ( 1.678 -3.357 9.636) 10.341 5.363 ( -3.815 -3.792 3.324) 6.324 5.454 ( 2.419 0.768 2.828) 3.800 5.520 ( -7.097 -3.380 -0.840) 7.906 5.618 ( 1.781 2.389 -3.439) 4.550 5.648 ( -2.084 -3.198 -1.512) 4.106 5.749 ( -3.186 5.635 -3.357) 7.292 5.780 ( -0.996 2.745 -0.157) 2.924 5.935 ( -5.038 0.626 7.871) 9.366 6.070 ( 3.675 4.083 -0.055) 5.494 6.083 ( 1.329 -2.445 8.652) 9.089 6.223 ( 2.487 -1.016 0.436) 2.722 6.325 ( -6.134 -1.073 0.929) 6.296 6.374 ( -3.388 -2.168 -0.706) 4.084 6.480 ( -5.347 5.076 0.251) 7.377 6.546 ( -0.889 5.760 2.009) 6.165 6.551 ( -11.149 0.885 -3.149) 11.619 6.694 ( 2.451 -2.619 -1.876) 4.048 6.786 ( -2.594 -7.215 2.072) 7.942 6.950 ( 1.030 -0.616 -5.467) 5.598 7.051 ( -4.758 -1.748 0.412) 5.086 7.080 ( -2.515 -3.556 -2.730) 5.140 7.270 ( 0.781 4.138 -4.362) 6.063 7.322 ( -0.809 -3.377 -1.835) 3.927 7.442 ( -1.862 3.607 1.802) 4.441 7.506 ( -2.350 1.359 0.473) 2.755 7.624 ( 2.845 4.338 4.007) 6.555 7.662 ( 0.994 9.987 3.042) 10.487 7.735 ( 4.747 7.492 -3.464) 9.522 7.843 ( -1.441 1.460 -0.847) 2.219 8.035 ( 0.485 -0.201 -4.233) 4.265 8.045 ( -4.903 4.714 1.757) 7.025 8.152 ( 2.663 4.909 1.004) 5.674 8.243 ( 8.528 -3.024 -0.614) 9.069 8.281 ( 2.525 1.698 -2.282) 3.803 8.379 ( 3.578 3.893 -4.181) 6.741 8.493 ( 9.833 2.214 -6.181) 11.824 8.521 ( 2.877 -7.673 -2.999) 8.726 8.681 ( 0.705 -2.604 -1.791) 3.238 8.693 ( -2.825 -0.414 -2.823) 4.015 8.748 ( 0.686 -5.232 -1.689) 5.540 8.786 ( -1.672 -7.091 1.860) 7.519 8.985 ( -4.455 -0.080 -0.735) 4.516 9.006 ( 1.196 -3.318 -4.786) 5.945 9.066 ( 2.796 2.283 2.960) 4.668 9.187 ( -4.084 4.829 -4.429) 7.721 9.246 ( 3.319 0.288 -0.752) 3.415 9.280 ( 3.483 1.876 -0.080) 3.957 9.352 ( -1.463 -0.939 -4.361) 4.694 9.392 ( -2.241 1.185 -4.281) 4.976 9.534 ( 6.857 -4.996 -5.806) 10.280 9.633 ( 6.358 -4.503 -1.824) 8.002 9.709 ( 2.861 -5.976 -6.296) 9.140 9.854 ( 2.945 -7.136 -3.807) 8.607 9.933 ( -6.160 0.648 -0.968) 6.269 10.031 ( -4.408 -2.630 -0.227) 5.138 10.163 ( -4.623 2.159 -3.825) 6.377 10.190 ( -0.336 1.221 -6.007) 6.139 11.423 ( 0.035 -1.398 1.360) 1.950 11.427 ( -0.361 -1.077 0.973) 1.496 11.694 ( -1.685 -1.161 -0.852) 2.217 11.720 ( 4.145 -0.742 -3.171) 5.271 11.856 ( 1.283 -0.121 2.103) 2.466 11.901 ( -2.592 1.373 3.690) 4.714 11.973 ( 0.694 -0.734 0.486) 1.121 12.053 ( -1.040 -2.085 2.241) 3.233 12.325 ( 0.300 6.300 3.254) 7.097 12.342 ( -1.333 2.720 6.096) 6.807 12.450 ( -0.017 2.362 1.868) 3.011 12.475 ( -0.342 -0.929 6.313) 6.390 12.609 ( 0.812 -2.365 -2.837) 3.782 12.699 ( -0.588 -3.467 1.219) 3.722 12.829 ( 1.068 0.029 0.159) 1.080 12.866 ( 0.043 -0.032 -0.254) 0.259 13.040 ( -1.859 0.940 0.729) 2.207 13.051 ( 0.888 -0.748 -0.631) 1.322 13.170 ( -2.615 1.460 -3.071) 4.289 13.296 ( -5.161 -2.193 -2.815) 6.274 13.590 ( -2.534 0.629 0.659) 2.693 13.649 ( -2.052 -1.165 -0.841) 2.505 13.760 ( 1.011 0.292 -0.121) 1.060 13.783 ( -3.636 -0.857 -1.145) 3.907 14.260 ( -2.921 2.612 2.319) 4.553 14.352 ( -6.092 2.320 3.254) 7.286 14.433 ( 6.335 -0.898 -1.188) 6.508 14.456 ( 2.158 0.246 -0.248) 2.186 14.519 ( -0.320 1.773 0.522) 1.876 14.644 ( 0.582 -2.257 -0.893) 2.496 14.800 ( 6.299 -1.321 -0.214) 6.440 14.862 ( 1.379 -4.221 4.009) 5.982 17.436 ( -1.750 -0.201 2.120) 2.756 17.444 ( -2.317 -0.345 1.661) 2.872 17.565 ( -2.400 0.985 4.602) 5.283 17.613 ( -2.489 -0.663 3.913) 4.685 17.776 ( 2.069 0.291 -0.528) 2.155 17.791 ( 0.835 0.368 0.249) 0.946 17.902 ( -0.638 0.966 -0.769) 1.390 17.989 ( 0.913 -1.818 -1.534) 2.548 18.423 ( 2.939 0.670 2.529) 3.935 18.463 ( 2.748 0.895 2.289) 3.686 18.538 ( -1.381 -0.924 3.501) 3.876 18.552 ( -2.311 -1.136 0.729) 2.676 18.722 ( -1.166 -0.074 -1.493) 1.896 18.760 ( 0.024 -0.797 0.544) 0.966 18.874 ( 2.081 0.529 1.086) 2.406 18.918 ( 3.345 -1.614 0.736) 3.786 19.572 ( 0.117 10.282 -1.706) 10.423 19.807 ( -0.212 2.417 -0.876) 2.579 19.914 ( 0.721 -0.898 -2.661) 2.900 19.942 ( 0.016 0.486 0.085) 0.493 19.958 ( -0.035 -0.432 -0.625) 0.761 20.019 ( 2.286 -3.777 -5.874) 7.348 20.309 ( 1.236 -0.459 -0.586) 1.443 20.380 ( 0.023 -2.980 -1.475) 3.325 20.522 ( -0.103 2.161 1.580) 2.679 20.576 ( 0.049 1.902 -0.885) 2.098 20.684 ( -0.167 0.696 0.309) 0.780 20.774 ( 0.405 -0.667 -0.758) 1.088 20.882 ( -1.405 2.015 -0.996) 2.650 21.009 ( -1.265 -1.881 -1.840) 2.919 21.192 ( 0.235 0.876 -1.012) 1.359 21.234 ( 0.575 -0.340 -3.986) 4.042 24.529 ( -0.015 0.161 0.913) 0.927 24.557 ( -1.043 -0.817 1.452) 1.965 24.593 ( -1.119 1.055 0.883) 1.774 24.621 ( -1.195 -0.085 0.690) 1.383 24.967 ( -0.012 0.534 0.288) 0.607 25.012 ( -0.219 -1.072 -0.642) 1.269 25.123 ( 0.282 -0.274 0.668) 0.775 25.136 ( 0.970 -0.301 0.112) 1.022 28.476 ( 2.242 0.259 -0.779) 2.388 28.505 ( 1.461 -0.636 -0.476) 1.663 28.526 ( 0.085 0.922 -1.586) 1.837 28.551 ( 0.635 -0.277 -0.847) 1.095 28.581 ( -0.783 0.578 -0.785) 1.250 28.608 ( -0.419 0.996 -0.861) 1.382 28.629 ( -1.737 -0.666 -0.837) 2.040 28.668 ( 0.237 -0.788 -1.312) 1.549 35.311 ( -1.015 1.170 1.836) 2.402 35.376 ( 0.737 -1.337 -0.433) 1.587 35.586 ( 6.831 3.181 -3.924) 8.496 35.764 ( 12.773 -3.609 -5.709) 14.449 36.252 ( -0.060 0.215 0.881) 0.909 36.331 ( 0.146 -4.455 0.433) 4.478 36.834 ( -0.558 15.688 -3.064) 15.994 37.498 ( 2.505 -8.260 -4.609) 9.785 37.579 ( -1.146 1.763 0.655) 2.202 37.743 ( 2.680 -6.265 0.840) 6.866 37.933 ( 3.401 2.570 -0.002) 4.263 38.078 ( -1.087 -0.702 -3.246) 3.494 38.105 ( -0.388 3.702 -2.303) 4.377 38.262 ( 1.212 0.511 -3.243) 3.499 38.420 ( -0.086 -2.279 -2.306) 3.243 38.573 ( 2.443 -3.425 -8.570) 9.546 38.654 ( -0.448 4.391 0.641) 4.460 38.855 ( -0.844 -3.223 -2.312) 4.055 39.005 ( 1.825 1.723 0.987) 2.697 39.115 ( 5.257 -2.143 0.408) 5.692 39.298 ( -4.964 4.013 0.441) 6.399 39.380 ( -2.333 0.254 -3.020) 3.824 39.459 ( 2.489 0.602 0.163) 2.566 39.537 ( 3.717 -1.444 2.097) 4.505 39.605 ( 2.248 2.119 5.391) 6.213 39.734 ( 1.693 -4.012 7.298) 8.499 39.889 ( -4.010 2.127 7.789) 9.015 40.157 ( 0.012 4.233 2.915) 5.140 40.332 ( -12.616 -3.719 -5.452) 14.238 40.439 ( 2.049 -1.925 3.303) 4.337 40.743 ( -3.741 6.711 -1.320) 7.796 41.440 ( 3.094 -18.986 -1.475) 19.293 ======================= Grid point 51 (28/66) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -9.798 6.126 7.513) 13.783 1.113 ( -6.320 13.539 1.904) 15.062 1.441 ( 10.507 2.793 4.710) 11.849 1.491 ( 5.999 1.095 6.274) 8.749 1.601 ( -1.996 -5.062 2.878) 6.155 1.650 ( 0.775 0.342 1.513) 1.734 1.797 ( 3.864 -6.891 1.198) 7.991 1.857 ( -1.505 0.254 -0.249) 1.547 1.957 ( -1.107 -6.362 3.129) 7.176 2.035 ( 2.226 1.609 -3.108) 4.148 2.098 ( 0.961 -0.879 -4.157) 4.356 2.219 ( 3.939 -5.488 0.773) 6.799 2.251 ( -1.880 -1.759 -1.930) 3.218 2.352 ( -1.868 3.764 0.950) 4.308 2.367 ( 0.855 -6.403 -1.491) 6.629 2.436 ( 2.917 -0.132 0.563) 2.974 2.500 ( -11.414 3.094 3.543) 12.345 2.612 ( -0.936 0.520 3.168) 3.344 2.695 ( -9.223 1.388 3.071) 9.819 2.720 ( 9.416 2.627 5.118) 11.034 2.983 ( 1.532 -2.655 3.462) 4.624 3.115 ( -0.180 -6.929 -1.884) 7.183 3.157 ( 5.200 -1.852 0.739) 5.570 3.234 ( -2.038 -3.476 -0.657) 4.083 3.455 ( 4.427 11.239 2.526) 12.341 3.577 ( -6.258 7.179 3.658) 10.202 3.648 ( -6.414 13.992 2.750) 15.636 3.841 ( 5.901 0.939 4.898) 7.726 3.909 ( -2.988 1.476 2.892) 4.412 4.053 ( -3.875 0.253 7.509) 8.454 4.123 ( -2.921 4.137 10.298) 11.476 4.178 ( -2.766 6.822 4.541) 8.649 4.257 ( -0.149 -3.171 6.329) 7.080 4.375 ( -3.872 4.440 5.272) 7.906 4.453 ( -11.731 6.154 -2.413) 13.465 4.469 ( 5.798 -1.807 6.334) 8.775 4.584 ( 1.119 -3.121 3.547) 4.855 4.687 ( 3.457 -0.268 7.854) 8.585 4.737 ( -1.825 -3.915 8.623) 9.645 4.884 ( -4.181 -1.108 6.281) 7.626 4.921 ( -2.184 -0.110 3.227) 3.899 5.000 ( -5.243 4.764 0.475) 7.100 5.076 ( -2.640 -1.608 7.845) 8.432 5.174 ( -4.511 -3.584 2.552) 6.301 5.212 ( 0.117 -1.373 7.722) 7.844 5.313 ( -4.220 -4.523 6.405) 8.905 5.377 ( -0.997 -1.193 3.819) 4.123 5.423 ( 5.697 1.326 -1.875) 6.143 5.438 ( 5.971 -0.379 4.192) 7.306 5.541 ( 4.851 2.072 2.974) 6.055 5.587 ( -2.607 -0.764 0.358) 2.740 5.682 ( -3.387 5.179 -0.686) 6.226 5.723 ( 4.026 -2.019 2.049) 4.948 5.820 ( 7.854 0.544 0.826) 7.916 5.892 ( -0.286 -4.982 2.645) 5.648 5.979 ( -0.518 -5.684 -7.307) 9.272 6.161 ( 3.094 9.390 2.158) 10.119 6.198 ( -7.692 4.256 1.551) 8.927 6.221 ( -6.586 4.291 -0.025) 7.861 6.356 ( 2.625 2.123 0.273) 3.388 6.394 ( -3.978 7.967 3.764) 9.668 6.557 ( 6.490 -2.290 3.224) 7.600 6.642 ( 8.227 -0.224 5.872) 10.110 6.747 ( 5.690 -1.077 3.141) 6.588 6.797 ( 3.409 -8.595 1.062) 9.307 6.896 ( -6.216 2.435 -0.111) 6.677 6.959 ( 0.149 0.743 -4.410) 4.475 7.065 ( 3.502 -4.063 -3.746) 6.543 7.242 ( -3.632 -2.532 -1.809) 4.783 7.321 ( 0.066 -1.102 -0.003) 1.104 7.376 ( -4.847 7.782 -2.821) 9.592 7.425 ( -2.025 -1.187 -6.383) 6.801 7.569 ( -1.574 3.297 -0.829) 3.747 7.689 ( -0.830 2.829 -2.875) 4.118 7.840 ( 4.143 4.173 -2.276) 6.305 7.864 ( -7.092 6.882 5.073) 11.108 7.897 ( 1.409 5.885 -1.406) 6.212 8.053 ( 1.273 5.308 -5.940) 8.067 8.202 ( 1.085 4.484 2.481) 5.238 8.271 ( -0.543 -0.010 -3.398) 3.442 8.384 ( -2.426 0.439 -7.500) 7.895 8.414 ( 5.981 -6.946 -0.632) 9.188 8.532 ( -0.091 -7.959 -4.302) 9.048 8.556 ( -6.368 -0.270 -1.956) 6.668 8.602 ( 4.866 -0.522 -9.223) 10.441 8.677 ( -3.380 -1.469 -0.388) 3.706 8.764 ( 2.135 -7.872 -0.556) 8.175 8.838 ( -0.070 -8.251 3.073) 8.805 8.888 ( 0.514 1.026 -0.658) 1.323 8.990 ( -1.005 4.778 -1.705) 5.172 9.099 ( -0.914 2.746 -3.664) 4.669 9.174 ( 4.118 4.511 -1.024) 6.193 9.210 ( -4.010 -5.456 1.932) 7.041 9.288 ( -1.405 4.038 -4.267) 6.040 9.360 ( 1.653 3.251 -5.323) 6.453 9.427 ( 6.100 -1.205 -1.359) 6.364 9.620 ( 2.742 -4.828 -6.610) 8.632 9.734 ( 3.024 -6.419 -5.384) 8.907 9.747 ( 1.053 -2.604 -0.429) 2.841 9.814 ( -1.705 -0.393 -4.646) 4.964 9.882 ( 0.166 -5.104 -1.433) 5.304 9.949 ( -0.743 -4.336 -3.754) 5.783 10.079 ( 0.397 2.439 -6.089) 6.571 10.145 ( -0.157 -0.231 -6.171) 6.177 11.412 ( -0.611 -0.531 0.092) 0.815 11.441 ( 0.181 -1.489 2.049) 2.539 11.658 ( -1.492 0.651 -0.359) 1.667 11.765 ( 1.415 -3.261 -3.418) 4.931 11.874 ( -1.629 0.425 2.474) 2.993 11.917 ( 3.658 2.299 1.370) 4.532 12.008 ( 2.534 0.499 -0.386) 2.611 12.036 ( -1.779 -3.479 2.406) 4.589 12.350 ( 0.174 3.689 3.970) 5.422 12.362 ( -0.823 4.041 8.594) 9.533 12.449 ( -1.148 1.982 2.601) 3.466 12.524 ( 2.955 0.815 5.878) 6.629 12.610 ( 0.391 -2.526 -2.283) 3.427 12.716 ( 1.334 -2.960 0.077) 3.248 12.863 ( 3.120 1.579 2.097) 4.078 12.916 ( 3.961 1.010 -1.982) 4.543 12.977 ( -4.143 2.022 2.189) 5.103 13.084 ( -1.232 -0.950 -0.722) 1.715 13.132 ( -0.057 -0.993 -0.932) 1.363 13.160 ( -2.372 -2.129 -1.477) 3.513 13.527 ( -3.302 1.004 -1.032) 3.602 13.569 ( -3.931 -1.192 -1.034) 4.236 13.725 ( -1.473 0.831 -0.822) 1.881 13.763 ( -0.708 -0.126 -1.783) 1.922 14.200 ( -2.797 1.846 1.846) 3.827 14.261 ( -3.709 3.435 3.631) 6.224 14.326 ( -6.002 -0.151 2.540) 6.519 14.533 ( -0.339 -3.720 0.093) 3.736 14.582 ( -1.107 -0.043 -0.558) 1.240 14.619 ( 1.588 -0.034 -0.598) 1.697 14.886 ( 1.322 -1.165 1.365) 2.229 14.909 ( 0.437 -2.721 3.200) 4.224 17.425 ( -0.104 0.035 0.995) 1.001 17.444 ( 0.917 -0.790 -0.592) 1.348 17.561 ( -0.800 0.217 3.705) 3.797 17.592 ( 1.054 -0.314 3.476) 3.646 17.805 ( 1.739 1.582 0.897) 2.516 17.864 ( 4.088 -0.159 -1.571) 4.382 17.951 ( 5.236 -0.400 -1.549) 5.475 18.034 ( 4.321 -3.292 -3.201) 6.306 18.393 ( -3.802 1.427 1.316) 4.269 18.463 ( -5.081 -0.826 0.970) 5.238 18.527 ( -2.044 -0.476 4.918) 5.347 18.570 ( 2.879 -2.543 1.365) 4.076 18.731 ( 2.056 0.160 0.091) 2.065 18.771 ( 0.230 -0.898 1.106) 1.444 18.902 ( -0.039 1.244 1.982) 2.340 18.960 ( -0.229 -1.337 1.615) 2.109 19.579 ( 1.121 9.942 -1.575) 10.129 19.808 ( 0.677 2.296 -0.912) 2.561 19.918 ( 0.503 -0.627 -2.602) 2.723 19.942 ( 0.144 0.295 -0.623) 0.704 19.957 ( 0.140 -0.378 -0.358) 0.539 20.023 ( 0.648 -2.770 -6.462) 7.060 20.337 ( 1.285 -0.350 -0.850) 1.580 20.390 ( 1.468 -2.385 -1.362) 3.114 20.520 ( -0.710 1.929 1.597) 2.603 20.572 ( -0.067 1.854 -0.616) 1.955 20.682 ( -0.177 0.589 0.436) 0.754 20.786 ( 0.758 -1.907 -0.686) 2.164 20.854 ( -0.565 3.038 -0.127) 3.093 20.997 ( 0.971 -1.769 -1.609) 2.581 21.191 ( -0.002 0.556 -0.625) 0.837 21.232 ( 0.904 -0.508 -3.709) 3.851 24.524 ( -1.105 0.213 1.061) 1.546 24.545 ( -0.434 -0.548 1.307) 1.482 24.572 ( -0.734 0.848 0.371) 1.181 24.604 ( -0.391 -0.317 0.040) 0.505 24.966 ( -0.337 0.529 0.788) 1.007 25.011 ( 0.072 -1.149 0.167) 1.164 25.113 ( -1.410 0.642 1.043) 1.868 25.150 ( 0.238 -0.542 -0.062) 0.595 28.495 ( -0.477 0.284 -1.051) 1.189 28.508 ( -0.748 1.068 -1.316) 1.853 28.530 ( 0.733 -0.992 -1.059) 1.626 28.563 ( -0.723 -0.678 -0.389) 1.064 28.579 ( 0.633 0.231 -0.598) 0.901 28.593 ( 1.404 -0.182 -0.570) 1.527 28.615 ( 0.921 1.097 -1.104) 1.808 28.665 ( 0.035 -0.750 -1.555) 1.727 35.305 ( -0.421 1.260 2.148) 2.525 35.395 ( 0.914 -2.339 -0.972) 2.693 35.702 ( 4.756 5.172 -6.070) 9.285 36.011 ( 12.419 -6.939 -12.023) 18.626 36.269 ( 1.236 0.577 0.714) 1.540 36.351 ( 1.932 -3.192 0.426) 3.755 36.764 ( -3.981 13.959 -2.368) 14.708 37.438 ( -4.995 -8.320 -6.859) 11.884 37.576 ( 0.460 2.119 0.485) 2.222 37.801 ( 2.182 -8.408 -0.752) 8.719 37.998 ( -0.009 0.054 -1.360) 1.361 38.091 ( 4.622 -1.784 -0.531) 4.983 38.102 ( 1.657 2.476 -3.069) 4.277 38.237 ( -1.711 0.423 -5.365) 5.647 38.409 ( 0.220 -1.373 -2.702) 3.039 38.584 ( 2.143 -2.443 -7.687) 8.346 38.652 ( -0.153 2.961 0.569) 3.020 38.836 ( 0.014 -3.465 -1.891) 3.947 39.034 ( -0.206 3.538 0.166) 3.548 39.214 ( -1.386 2.552 1.145) 3.122 39.221 ( 4.537 -2.379 -0.346) 5.134 39.324 ( -3.077 -2.821 -2.946) 5.110 39.482 ( -0.741 0.300 -3.651) 3.738 39.573 ( -2.406 -3.736 -0.986) 4.552 39.689 ( 2.705 3.876 6.561) 8.086 39.771 ( -0.514 -1.586 6.705) 6.909 39.879 ( -0.088 -0.160 8.901) 8.903 40.033 ( -11.136 -2.686 -3.889) 12.098 40.194 ( 3.015 7.647 3.261) 8.843 40.527 ( 5.701 -4.090 7.111) 9.990 40.675 ( -4.419 9.591 2.864) 10.941 41.399 ( -5.250 -16.074 -3.684) 17.306 ======================= Grid point 52 (29/66) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 2.134 8.179 15.940) 18.042 1.045 ( 1.605 22.644 9.930) 24.778 1.472 ( -8.574 -8.274 1.790) 12.050 1.569 ( 1.742 -4.943 -0.136) 5.243 1.633 ( -3.030 -1.629 2.340) 4.160 1.706 ( 4.685 -3.864 5.172) 7.977 1.828 ( -3.066 0.881 3.184) 4.507 1.848 ( -3.975 0.749 6.076) 7.299 1.932 ( -0.679 2.217 -2.700) 3.559 2.008 ( -6.233 -2.172 2.273) 6.980 2.048 ( -7.130 0.368 -1.881) 7.383 2.125 ( -5.562 -0.460 6.424) 8.509 2.169 ( -5.844 -1.314 0.359) 6.001 2.263 ( 0.729 0.509 -0.079) 0.893 2.404 ( 4.543 -1.320 0.146) 4.733 2.472 ( 0.370 -0.099 0.772) 0.862 2.515 ( 8.670 -4.987 1.360) 10.094 2.558 ( -2.863 -1.652 2.783) 4.320 2.644 ( -0.845 -0.636 2.469) 2.686 2.837 ( 0.628 -6.273 1.515) 6.483 2.941 ( -10.453 -5.894 0.907) 12.034 3.079 ( 3.649 -1.096 0.212) 3.816 3.190 ( 0.051 2.699 0.132) 2.703 3.234 ( -0.411 3.023 -1.939) 3.614 3.467 ( -3.342 4.743 0.221) 5.806 3.524 ( -1.197 5.107 3.373) 6.237 3.668 ( 5.600 13.251 4.523) 15.080 3.883 ( -0.364 7.769 1.710) 7.963 3.997 ( 7.299 -1.158 4.239) 8.520 4.010 ( -3.960 2.904 6.390) 8.059 4.050 ( -6.726 7.183 7.722) 12.509 4.193 ( 2.402 0.753 0.859) 2.659 4.264 ( -2.063 1.713 4.190) 4.974 4.301 ( -2.037 2.402 7.192) 7.851 4.350 ( -0.245 5.665 4.370) 7.159 4.541 ( -4.883 -2.096 3.797) 6.531 4.614 ( 0.393 -1.916 3.367) 3.894 4.724 ( -2.114 -1.450 3.018) 3.960 4.751 ( -3.145 -0.917 2.783) 4.299 4.801 ( -3.550 -4.670 6.093) 8.458 4.860 ( -7.279 0.937 3.690) 8.214 4.903 ( -1.018 -2.025 4.861) 5.363 4.991 ( -5.558 -5.632 4.903) 9.308 5.088 ( -4.151 -2.674 7.416) 8.909 5.158 ( -5.337 -0.263 6.205) 8.189 5.240 ( -2.575 -0.981 2.292) 3.584 5.368 ( -8.723 -1.527 1.977) 9.074 5.393 ( -4.546 -0.989 2.322) 5.200 5.494 ( 1.569 -1.662 5.881) 6.310 5.557 ( 1.783 3.373 -0.643) 3.869 5.663 ( 6.660 2.611 1.492) 7.307 5.695 ( -0.859 0.898 2.381) 2.686 5.753 ( -2.744 -0.270 2.044) 3.432 5.829 ( 0.933 0.413 -4.878) 4.984 5.950 ( -3.484 -1.464 7.868) 8.728 6.045 ( -0.088 0.788 -0.202) 0.818 6.162 ( 1.995 4.139 1.938) 4.987 6.228 ( 7.210 3.859 3.280) 8.812 6.268 ( 10.927 1.407 -1.844) 11.170 6.333 ( 1.748 12.352 2.940) 12.817 6.431 ( -1.490 -0.389 0.362) 1.581 6.621 ( -2.928 -2.741 0.817) 4.093 6.684 ( 4.122 -1.200 0.738) 4.356 6.818 ( 1.846 1.006 -1.809) 2.774 6.837 ( -2.063 -2.825 -2.669) 4.400 6.990 ( 8.435 1.797 0.772) 8.658 7.032 ( -7.300 -0.033 -3.256) 7.993 7.120 ( 9.934 0.670 3.456) 10.540 7.217 ( 3.325 -2.927 2.664) 5.169 7.263 ( 1.454 5.680 -1.266) 5.998 7.352 ( 2.070 3.544 -5.067) 6.521 7.435 ( 7.249 -4.280 -2.328) 8.734 7.592 ( -0.617 -0.353 -1.829) 1.962 7.664 ( 0.855 0.932 -3.357) 3.588 7.737 ( -1.788 7.396 1.164) 7.697 7.823 ( -7.360 0.505 -2.758) 7.875 7.912 ( -1.330 7.456 2.019) 7.838 8.045 ( 1.711 7.590 -8.297) 11.375 8.148 ( -7.169 5.653 -0.433) 9.140 8.230 ( -1.828 2.721 -4.658) 5.696 8.286 ( 0.460 3.409 -1.474) 3.743 8.402 ( -8.369 -4.228 -3.652) 10.062 8.426 ( -6.319 0.449 0.515) 6.356 8.550 ( -3.166 -3.318 -3.232) 5.610 8.583 ( 5.794 -8.276 0.816) 10.135 8.651 ( 2.159 -5.577 -4.191) 7.302 8.808 ( 0.597 -6.022 0.443) 6.067 8.812 ( -1.579 -4.575 -0.720) 4.893 8.936 ( 3.425 0.257 0.757) 3.517 8.980 ( -0.513 3.540 -0.993) 3.712 9.111 ( 3.902 -1.920 -1.238) 4.521 9.181 ( -1.367 -5.374 1.010) 5.636 9.207 ( -0.952 3.017 -2.300) 3.912 9.269 ( 1.956 5.470 -1.355) 5.965 9.376 ( 1.930 4.810 -4.692) 6.991 9.498 ( 2.355 -3.943 -6.482) 7.944 9.588 ( -2.488 -1.948 -6.262) 7.015 9.639 ( -2.520 -3.269 -6.330) 7.556 9.740 ( -5.592 -6.078 -4.675) 9.491 9.780 ( -0.626 -4.639 -3.160) 5.648 9.949 ( 7.044 -1.231 -1.004) 7.221 9.978 ( 4.178 -3.506 -1.083) 5.560 10.117 ( 4.734 2.768 -4.853) 7.323 10.191 ( 4.755 -1.058 -2.577) 5.511 11.403 ( -0.297 -0.102 0.481) 0.574 11.447 ( -0.387 -1.561 1.860) 2.459 11.637 ( -0.267 1.291 -0.305) 1.353 11.760 ( -0.392 -3.882 -2.284) 4.521 11.853 ( -1.334 -0.564 1.566) 2.133 11.971 ( 0.456 3.311 1.729) 3.763 12.003 ( -2.291 -3.613 1.874) 4.671 12.054 ( 1.711 0.896 -0.093) 1.934 12.337 ( -3.120 3.476 7.393) 8.745 12.384 ( 0.195 1.922 5.739) 6.056 12.419 ( -3.040 2.542 3.469) 5.266 12.574 ( -2.374 -3.575 3.420) 5.487 12.644 ( 2.284 0.823 0.043) 2.428 12.737 ( 0.997 -1.168 -0.054) 1.536 12.836 ( -4.871 2.183 3.683) 6.485 12.939 ( -2.093 -0.337 -0.393) 2.156 12.998 ( 0.413 -0.906 0.707) 1.221 13.089 ( 6.114 -2.401 -2.565) 7.052 13.145 ( 8.073 4.386 -0.230) 9.191 13.240 ( 5.065 0.666 -3.962) 6.465 13.449 ( -2.113 2.034 -1.608) 3.345 13.553 ( 2.624 -0.620 -2.150) 3.449 13.719 ( 1.617 -0.834 -0.322) 1.848 13.737 ( -0.643 -0.828 -0.562) 1.190 14.205 ( 2.113 3.057 -0.338) 3.731 14.231 ( 1.341 1.374 1.403) 2.378 14.324 ( 4.760 -2.016 -0.641) 5.209 14.427 ( -7.435 -5.225 0.128) 9.089 14.558 ( -1.928 1.698 -0.681) 2.658 14.630 ( -1.050 0.755 -0.107) 1.298 14.861 ( -4.428 -1.155 2.783) 5.356 14.898 ( -2.832 -2.569 5.339) 6.567 17.445 ( 1.417 -0.045 0.458) 1.490 17.461 ( 1.319 -0.965 -0.178) 1.644 17.570 ( 0.598 1.608 2.556) 3.078 17.656 ( 2.650 -1.912 1.745) 3.705 17.853 ( 1.101 -0.011 1.564) 1.913 17.889 ( -1.454 -0.354 1.428) 2.069 18.019 ( 0.262 -0.797 -0.247) 0.875 18.076 ( -1.146 -3.825 -1.365) 4.220 18.343 ( -2.316 -0.374 1.084) 2.585 18.367 ( -2.319 -0.396 0.418) 2.390 18.515 ( -0.228 0.731 4.067) 4.139 18.590 ( -0.944 -2.537 1.676) 3.184 18.763 ( 0.129 -0.588 -0.023) 0.603 18.775 ( 0.817 -0.595 -0.500) 1.127 18.894 ( -1.889 1.731 1.558) 2.999 18.913 ( -4.696 0.367 1.897) 5.077 19.592 ( 0.755 9.977 -2.266) 10.259 19.822 ( 1.030 3.418 -1.793) 3.995 19.914 ( 0.291 -1.257 -1.765) 2.187 19.939 ( -0.106 0.117 -0.898) 0.912 19.961 ( 0.347 -0.292 -0.223) 0.505 19.998 ( 0.097 -2.966 -6.194) 6.868 20.335 ( -1.079 0.139 -0.641) 1.262 20.411 ( 0.763 -2.822 -1.969) 3.525 20.513 ( -0.631 1.956 1.894) 2.795 20.571 ( 0.249 1.880 -0.543) 1.973 20.682 ( 0.103 0.675 0.057) 0.685 20.785 ( -0.290 -1.248 -0.662) 1.442 20.874 ( 2.276 3.144 -1.536) 4.174 21.030 ( 2.670 -2.007 -2.457) 4.146 21.187 ( -0.049 0.643 -0.583) 0.869 21.237 ( 1.117 -0.578 -3.887) 4.085 24.510 ( -0.542 0.447 1.869) 1.997 24.544 ( 0.174 -0.648 0.867) 1.097 24.583 ( 1.021 0.438 1.341) 1.741 24.610 ( 0.941 -0.210 0.230) 0.991 24.965 ( 0.122 0.380 0.605) 0.724 25.011 ( -0.174 -1.630 0.616) 1.752 25.094 ( -0.547 1.474 0.568) 1.671 25.139 ( -1.171 -0.467 -0.092) 1.264 28.468 ( -1.478 -0.042 -0.755) 1.660 28.486 ( -0.580 -0.343 -1.101) 1.291 28.524 ( -0.432 0.097 -0.624) 0.765 28.549 ( 0.272 -0.690 -1.074) 1.306 28.596 ( 0.999 0.904 -1.316) 1.883 28.630 ( 0.605 0.656 -0.464) 1.005 28.637 ( 1.877 -0.498 -0.842) 2.117 28.659 ( 0.314 -0.355 -1.406) 1.484 35.311 ( 0.145 1.399 1.902) 2.366 35.395 ( -0.527 -1.504 -0.763) 1.767 35.686 ( -3.228 3.749 -4.222) 6.504 36.027 ( -8.213 -9.900 -13.374) 18.556 36.283 ( -0.527 0.411 0.570) 0.878 36.367 ( -1.537 -3.106 -1.870) 3.938 36.729 ( 2.649 12.232 -3.673) 13.043 37.304 ( -2.406 -10.890 -5.421) 12.400 37.594 ( 0.736 2.380 1.066) 2.710 37.804 ( -1.868 -8.548 -0.582) 8.769 37.956 ( -2.264 3.442 -1.870) 4.524 38.131 ( 1.544 2.260 -2.871) 3.967 38.158 ( 0.482 -3.132 -1.926) 3.709 38.180 ( 0.630 3.677 -5.253) 6.443 38.414 ( 1.062 -1.762 -1.406) 2.492 38.587 ( 1.345 -3.956 -9.095) 10.009 38.653 ( 0.177 4.460 0.743) 4.525 38.852 ( 2.235 -3.360 -0.803) 4.114 38.994 ( -2.586 3.053 0.429) 4.024 39.142 ( -9.709 -2.817 -4.600) 11.107 39.252 ( 3.852 2.292 0.450) 4.506 39.330 ( 4.863 -0.431 0.015) 4.882 39.439 ( -0.048 1.451 -3.051) 3.379 39.501 ( -2.330 -1.782 -2.490) 3.848 39.683 ( -4.118 2.854 3.444) 6.080 39.792 ( -7.067 -1.549 2.940) 7.809 39.858 ( 1.063 1.530 12.931) 13.064 40.024 ( 4.130 0.422 9.806) 10.649 40.300 ( 5.523 5.910 0.293) 8.094 40.588 ( -5.701 6.403 4.937) 9.893 40.757 ( 13.276 -8.382 7.882) 17.568 41.246 ( -6.567 -13.552 -5.117) 15.905 ======================= Grid point 53 (30/66) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -6.493 -2.528 7.293) 10.087 1.180 ( -6.493 2.528 7.293) 10.087 1.428 ( 0.821 -4.748 1.419) 5.023 1.428 ( 0.821 4.748 1.419) 5.023 1.591 ( -6.463 -6.753 7.810) 12.181 1.591 ( -6.463 6.753 7.810) 12.181 1.761 ( -4.273 -4.998 0.529) 6.597 1.761 ( -4.273 4.998 0.529) 6.597 2.029 ( 1.341 -3.420 1.418) 3.938 2.029 ( 1.341 3.420 1.418) 3.938 2.052 ( 4.744 -1.764 -2.430) 5.615 2.052 ( 4.744 1.764 -2.430) 5.615 2.192 ( 0.578 -16.946 10.570) 19.981 2.192 ( 0.578 16.946 10.570) 19.981 2.410 ( -0.378 -4.817 2.124) 5.278 2.410 ( -0.378 4.817 2.124) 5.278 2.528 ( -2.198 -3.596 3.138) 5.255 2.528 ( -2.198 3.596 3.138) 5.255 2.660 ( 3.674 -5.908 -0.736) 6.996 2.660 ( 3.674 5.908 -0.736) 6.996 2.914 ( -3.645 -6.313 -0.674) 7.321 2.914 ( -3.645 6.313 -0.674) 7.321 3.271 ( -1.334 -4.451 -4.401) 6.400 3.271 ( -1.334 4.451 -4.401) 6.400 3.554 ( 1.693 -3.464 4.080) 5.614 3.554 ( 1.693 3.464 4.080) 5.614 3.934 ( 0.463 -6.394 7.041) 9.523 3.934 ( 0.463 6.394 7.041) 9.523 4.080 ( 2.557 -1.446 0.398) 2.965 4.080 ( 2.557 1.446 0.398) 2.965 4.167 ( -4.724 -0.727 6.937) 8.425 4.167 ( -4.724 0.727 6.937) 8.425 4.325 ( -4.543 -4.158 6.115) 8.679 4.325 ( -4.543 4.158 6.115) 8.679 4.466 ( -2.259 -3.054 4.732) 6.068 4.466 ( -2.259 3.054 4.732) 6.068 4.563 ( -0.101 -12.834 1.231) 12.893 4.563 ( -0.101 12.834 1.231) 12.893 4.717 ( 6.042 -3.454 3.992) 8.024 4.717 ( 6.042 3.454 3.992) 8.024 4.885 ( 3.689 -4.636 -1.262) 6.057 4.885 ( 3.689 4.636 -1.262) 6.057 5.058 ( 1.201 -4.678 11.722) 12.678 5.058 ( 1.201 4.678 11.722) 12.678 5.128 ( -3.118 -4.182 3.004) 6.020 5.128 ( -3.118 4.182 3.004) 6.020 5.259 ( -0.806 -7.807 1.983) 8.095 5.259 ( -0.806 7.807 1.983) 8.095 5.466 ( -2.901 -3.621 1.628) 4.917 5.466 ( -2.901 3.621 1.628) 4.917 5.707 ( -2.332 -3.120 -3.241) 5.067 5.707 ( -2.332 3.120 -3.241) 5.067 5.862 ( -0.751 -4.634 -0.961) 4.792 5.862 ( -0.751 4.634 -0.961) 4.792 5.973 ( 1.731 -4.977 9.203) 10.605 5.973 ( 1.731 4.977 9.203) 10.605 6.213 ( -5.890 -4.729 -2.866) 8.079 6.213 ( -5.890 4.729 -2.866) 8.079 6.448 ( -3.356 -1.155 2.240) 4.197 6.448 ( -3.356 1.155 2.240) 4.197 6.514 ( 4.235 -2.820 -2.979) 5.896 6.514 ( 4.235 2.820 -2.979) 5.896 6.703 ( -1.998 -5.301 -3.648) 6.738 6.703 ( -1.998 5.301 -3.648) 6.738 6.925 ( -7.552 -4.857 4.231) 9.926 6.925 ( -7.552 4.857 4.231) 9.926 7.061 ( -0.803 -6.023 -6.725) 9.063 7.061 ( -0.803 6.023 -6.725) 9.063 7.371 ( 4.060 -5.659 1.076) 7.048 7.371 ( 4.060 5.659 1.076) 7.048 7.519 ( -1.779 -2.552 -0.428) 3.140 7.519 ( -1.779 2.552 -0.428) 3.140 7.617 ( 7.642 -3.195 1.726) 8.461 7.617 ( 7.642 3.195 1.726) 8.461 7.801 ( 2.044 -2.780 0.957) 3.581 7.801 ( 2.044 2.780 0.957) 3.581 8.062 ( -2.331 -2.641 -0.114) 3.525 8.062 ( -2.331 2.641 -0.114) 3.525 8.204 ( 1.170 -4.101 -2.209) 4.803 8.204 ( 1.170 4.101 -2.209) 4.803 8.365 ( 1.824 -0.533 -5.898) 6.197 8.365 ( 1.824 0.533 -5.898) 6.197 8.454 ( 1.248 -1.890 1.748) 2.861 8.454 ( 1.248 1.890 1.748) 2.861 8.573 ( 3.222 -5.430 1.931) 6.603 8.573 ( 3.222 5.430 1.931) 6.603 8.717 ( -0.031 -0.907 -1.881) 2.089 8.717 ( -0.031 0.907 -1.881) 2.089 8.952 ( -1.052 -0.584 -3.070) 3.297 8.952 ( -1.052 0.584 -3.070) 3.297 9.078 ( 3.532 -3.489 0.687) 5.012 9.078 ( 3.532 3.489 0.687) 5.012 9.327 ( -2.178 -4.426 -7.646) 9.099 9.327 ( -2.178 4.426 -7.646) 9.099 9.437 ( -3.948 -3.212 -0.900) 5.169 9.437 ( -3.948 3.212 -0.900) 5.169 9.523 ( 2.102 -5.853 -7.196) 9.511 9.523 ( 2.102 5.853 -7.196) 9.511 9.614 ( 2.659 -9.316 -3.323) 10.242 9.614 ( 2.659 9.316 -3.323) 10.242 10.024 ( 0.950 -1.317 0.738) 1.784 10.024 ( 0.950 1.317 0.738) 1.784 10.223 ( 1.974 -0.991 -3.923) 4.502 10.223 ( 1.974 0.991 -3.923) 4.502 11.409 ( -0.537 -0.851 1.501) 1.807 11.409 ( -0.537 0.851 1.501) 1.807 11.679 ( 1.126 -1.492 -3.502) 3.970 11.679 ( 1.126 1.492 -3.502) 3.970 11.874 ( -1.262 -3.435 3.712) 5.213 11.874 ( -1.262 3.435 3.712) 5.213 12.033 ( -2.301 -2.428 2.345) 4.085 12.033 ( -2.301 2.428 2.345) 4.085 12.412 ( 0.220 -2.602 5.469) 6.061 12.412 ( 0.220 2.602 5.469) 6.061 12.447 ( -2.338 -3.113 1.047) 4.032 12.447 ( -2.338 3.113 1.047) 4.032 12.658 ( -3.820 -3.170 1.287) 5.128 12.658 ( -3.820 3.170 1.287) 5.128 12.841 ( -0.150 -1.853 0.199) 1.870 12.841 ( -0.150 1.853 0.199) 1.870 13.039 ( 0.337 -1.682 -1.467) 2.257 13.039 ( 0.337 1.682 -1.467) 2.257 13.309 ( -0.285 -2.360 -4.526) 5.112 13.309 ( -0.285 2.360 -4.526) 5.112 13.605 ( 4.897 -1.646 -0.954) 5.254 13.605 ( 4.897 1.646 -0.954) 5.254 13.745 ( 2.367 -1.473 0.617) 2.855 13.745 ( 2.367 1.473 0.617) 2.855 14.273 ( 3.326 -1.016 0.141) 3.480 14.273 ( 3.326 1.016 0.141) 3.480 14.386 ( 4.680 -2.383 -0.028) 5.252 14.386 ( 4.680 2.383 -0.028) 5.252 14.592 ( 0.814 -2.287 -2.707) 3.636 14.592 ( 0.814 2.287 -2.707) 3.636 14.777 ( -5.070 -2.806 6.114) 8.424 14.777 ( -5.070 2.806 6.114) 8.424 17.466 ( -0.681 -0.745 0.970) 1.400 17.466 ( -0.681 0.745 0.970) 1.400 17.620 ( -1.353 -1.119 3.670) 4.068 17.620 ( -1.353 1.119 3.670) 4.068 17.801 ( -4.122 -0.393 2.093) 4.640 17.801 ( -4.122 0.393 2.093) 4.640 17.992 ( -3.218 -0.578 0.894) 3.390 17.992 ( -3.218 0.578 0.894) 3.390 18.362 ( 3.021 -2.030 1.756) 4.041 18.362 ( 3.021 2.030 1.756) 4.041 18.559 ( -0.239 -0.608 2.271) 2.363 18.559 ( -0.239 0.608 2.271) 2.363 18.765 ( -0.767 -0.461 -0.212) 0.920 18.765 ( -0.767 0.461 -0.212) 0.920 18.857 ( -1.267 -0.102 0.547) 1.384 18.857 ( -1.267 0.102 0.547) 1.384 19.811 ( 0.821 -8.754 -4.383) 9.824 19.811 ( 0.821 8.754 -4.383) 9.824 19.888 ( 0.273 -1.910 -2.819) 3.416 19.888 ( 0.273 1.910 -2.819) 3.416 19.960 ( 0.050 -0.266 -0.281) 0.390 19.960 ( 0.050 0.266 -0.281) 0.390 20.333 ( -0.983 -2.168 -1.161) 2.648 20.333 ( -0.983 2.168 -1.161) 2.648 20.567 ( 0.241 -1.982 0.392) 2.035 20.567 ( 0.241 1.982 0.392) 2.035 20.734 ( 0.203 -2.864 -1.132) 3.086 20.734 ( 0.203 2.864 -1.132) 3.086 20.975 ( 0.060 -3.635 -3.055) 4.748 20.975 ( 0.060 3.635 -3.055) 4.748 21.220 ( 0.727 -1.319 -2.691) 3.084 21.220 ( 0.727 1.319 -2.691) 3.084 24.534 ( 0.220 -0.992 1.733) 2.009 24.534 ( 0.220 0.992 1.733) 2.009 24.620 ( 0.322 -0.752 1.067) 1.344 24.620 ( 0.322 0.752 1.067) 1.344 24.984 ( 0.182 -1.122 0.131) 1.144 24.984 ( 0.182 1.122 0.131) 1.144 25.114 ( 0.108 -0.278 0.219) 0.370 25.114 ( 0.108 0.278 0.219) 0.370 28.460 ( 0.569 -0.733 -0.564) 1.086 28.460 ( 0.569 0.733 -0.564) 1.086 28.540 ( 0.578 -0.443 -1.100) 1.319 28.540 ( 0.578 0.443 -1.100) 1.319 28.623 ( -0.276 -1.147 -0.924) 1.498 28.623 ( -0.276 1.147 -0.924) 1.498 28.651 ( 0.002 -1.092 -1.100) 1.550 28.651 ( 0.002 1.092 -1.100) 1.550 35.358 ( -0.324 -1.575 0.147) 1.615 35.358 ( -0.324 1.575 0.147) 1.615 35.623 ( -5.303 -2.016 -2.072) 6.040 35.623 ( -5.303 2.016 -2.072) 6.040 36.276 ( -1.295 -1.287 0.442) 1.878 36.276 ( -1.295 1.287 0.442) 1.878 37.113 ( 7.745 -13.187 -3.641) 15.721 37.113 ( 7.745 13.187 -3.641) 15.721 37.657 ( -1.413 -3.251 1.186) 3.738 37.657 ( -1.413 3.251 1.186) 3.738 38.027 ( -1.668 -5.218 -1.713) 5.740 38.027 ( -1.668 5.218 -1.713) 5.740 38.225 ( 1.227 -3.164 -1.182) 3.593 38.225 ( 1.227 3.164 -1.182) 3.593 38.454 ( 1.377 -5.118 -6.946) 8.737 38.454 ( 1.377 5.118 -6.946) 8.737 38.778 ( 0.192 -5.252 -0.512) 5.280 38.778 ( 0.192 5.252 -0.512) 5.280 39.013 ( 0.157 -1.620 -0.718) 1.779 39.013 ( 0.157 1.620 -0.718) 1.779 39.398 ( 4.051 -2.593 0.109) 4.811 39.398 ( 4.051 2.593 0.109) 4.811 39.447 ( -0.563 -0.766 -1.408) 1.699 39.447 ( -0.563 0.766 -1.408) 1.699 39.647 ( -4.153 -1.970 4.900) 6.719 39.647 ( -4.153 1.970 4.900) 6.719 40.038 ( 0.413 -7.746 9.881) 12.562 40.038 ( 0.413 7.746 9.881) 12.562 40.503 ( -4.594 -4.398 -2.475) 6.825 40.503 ( -4.594 4.398 -2.475) 6.825 40.903 ( 4.768 -12.234 3.251) 13.527 40.903 ( 4.768 12.234 3.251) 13.527 ======================= Grid point 55 (31/66) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 2.954 -5.484 -0.214) 6.233 1.212 ( 2.954 5.484 -0.214) 6.233 1.403 ( 0.523 -7.316 2.834) 7.863 1.403 ( 0.523 7.316 2.834) 7.863 1.573 ( 1.774 -11.276 7.522) 13.670 1.573 ( 1.774 11.276 7.522) 13.670 1.712 ( -3.356 -2.223 2.100) 4.540 1.712 ( -3.356 2.223 2.100) 4.540 2.021 ( -0.829 -3.247 -1.681) 3.749 2.021 ( -0.829 3.247 -1.681) 3.749 2.060 ( 0.632 -2.404 -0.271) 2.500 2.060 ( 0.632 2.404 -0.271) 2.500 2.272 ( -2.146 -5.465 0.689) 5.911 2.272 ( -2.146 5.465 0.689) 5.911 2.447 ( 0.268 -3.531 2.608) 4.398 2.447 ( 0.268 3.531 2.608) 4.398 2.553 ( 7.519 -5.589 5.630) 10.930 2.553 ( 7.519 5.589 5.630) 10.930 2.724 ( 0.773 -5.546 1.733) 5.862 2.724 ( 0.773 5.546 1.733) 5.862 2.872 ( 1.795 -2.335 1.432) 3.275 2.872 ( 1.795 2.335 1.432) 3.275 3.194 ( -4.319 -6.762 -2.733) 8.476 3.194 ( -4.319 6.762 -2.733) 8.476 3.633 ( 3.987 -6.363 4.186) 8.596 3.633 ( 3.987 6.363 4.186) 8.596 3.945 ( -10.935 -6.614 2.672) 13.056 3.945 ( -10.935 6.614 2.672) 13.056 3.984 ( -0.653 -9.176 7.103) 11.622 3.984 ( -0.653 9.176 7.103) 11.622 4.176 ( -0.559 -2.181 5.732) 6.159 4.176 ( -0.559 2.181 5.732) 6.159 4.319 ( 1.427 -2.730 7.873) 8.455 4.319 ( 1.427 2.730 7.873) 8.455 4.502 ( 1.194 -6.226 7.741) 10.006 4.502 ( 1.194 6.226 7.741) 10.006 4.577 ( 0.940 -4.864 -2.063) 5.367 4.577 ( 0.940 4.864 -2.063) 5.367 4.870 ( 0.042 -3.204 0.159) 3.209 4.870 ( 0.042 3.204 0.159) 3.209 4.932 ( 4.750 -6.216 3.804) 8.699 4.932 ( 4.750 6.216 3.804) 8.699 5.092 ( 1.860 -4.459 3.824) 6.161 5.092 ( 1.860 4.459 3.824) 6.161 5.208 ( 8.070 -4.618 6.867) 11.559 5.208 ( 8.070 4.618 6.867) 11.559 5.319 ( -1.030 -1.903 6.507) 6.857 5.319 ( -1.030 1.903 6.507) 6.857 5.389 ( -1.169 -5.836 0.344) 5.962 5.389 ( -1.169 5.836 0.344) 5.962 5.631 ( -2.038 -2.872 -3.242) 4.787 5.631 ( -2.038 2.872 -3.242) 4.787 5.835 ( -1.541 -0.569 -5.777) 6.006 5.835 ( -1.541 0.569 -5.777) 6.006 5.983 ( -8.913 -4.552 9.668) 13.915 5.983 ( -8.913 4.552 9.668) 13.915 6.176 ( 7.313 -3.858 0.474) 8.282 6.176 ( 7.313 3.858 0.474) 8.282 6.332 ( -4.061 -1.871 -0.673) 4.522 6.332 ( -4.061 1.871 -0.673) 4.522 6.585 ( -1.621 -3.975 2.048) 4.756 6.585 ( -1.621 3.975 2.048) 4.756 6.599 ( -4.597 -3.603 -3.163) 6.642 6.599 ( -4.597 3.603 -3.163) 6.642 6.804 ( -3.587 -10.969 4.846) 12.517 6.804 ( -3.587 10.969 4.846) 12.517 7.051 ( 3.182 -3.898 -5.700) 7.603 7.051 ( 3.182 3.898 -5.700) 7.603 7.307 ( -8.165 -2.357 -0.833) 8.539 7.307 ( -8.165 2.357 -0.833) 8.539 7.501 ( -1.489 -1.584 2.180) 3.078 7.501 ( -1.489 1.584 2.180) 3.078 7.764 ( 8.377 -4.922 -1.398) 9.816 7.764 ( 8.377 4.922 -1.398) 9.816 7.855 ( -5.289 -3.237 1.715) 6.434 7.855 ( -5.289 3.237 1.715) 6.434 8.038 ( 4.178 -8.144 -2.465) 9.479 8.038 ( 4.178 8.144 -2.465) 9.479 8.226 ( 1.707 -1.608 -0.461) 2.390 8.226 ( 1.707 1.608 -0.461) 2.390 8.374 ( 0.700 -4.488 -3.856) 5.958 8.374 ( 0.700 4.488 -3.856) 5.958 8.519 ( 1.363 -7.462 -0.848) 7.633 8.519 ( 1.363 7.462 -0.848) 7.633 8.606 ( 1.364 -4.021 -3.551) 5.536 8.606 ( 1.364 4.021 -3.551) 5.536 8.695 ( -0.287 -0.755 -0.942) 1.241 8.695 ( -0.287 0.755 -0.942) 1.241 8.967 ( 2.717 -0.151 -2.669) 3.812 8.967 ( 2.717 0.151 -2.669) 3.812 9.122 ( -0.550 -5.650 -0.704) 5.720 9.122 ( -0.550 5.650 -0.704) 5.720 9.310 ( 3.945 -3.094 -6.224) 7.993 9.310 ( 3.945 3.094 -6.224) 7.993 9.385 ( 0.287 -2.100 -0.159) 2.126 9.385 ( 0.287 2.100 -0.159) 2.126 9.527 ( 0.798 -7.036 -5.383) 8.895 9.527 ( 0.798 7.036 -5.383) 8.895 9.677 ( 4.591 -7.748 -2.615) 9.378 9.677 ( 4.591 7.748 -2.615) 9.378 9.973 ( -5.286 -2.505 -0.818) 5.907 9.973 ( -5.286 2.505 -0.818) 5.907 10.196 ( -2.414 -0.748 -5.649) 6.188 10.196 ( -2.414 0.748 -5.649) 6.188 11.408 ( -0.238 -0.259 1.580) 1.618 11.408 ( -0.238 0.259 1.580) 1.618 11.691 ( 1.374 -1.036 -3.809) 4.180 11.691 ( 1.374 1.036 -3.809) 4.180 11.892 ( 1.618 -2.464 3.414) 4.510 11.892 ( 1.618 2.464 3.414) 4.510 11.992 ( -2.464 -2.874 2.396) 4.480 11.992 ( -2.464 2.874 2.396) 4.480 12.407 ( -1.315 -2.537 5.848) 6.509 12.407 ( -1.315 2.537 5.848) 6.509 12.465 ( 2.086 -2.949 0.417) 3.636 12.465 ( 2.086 2.949 0.417) 3.636 12.611 ( -0.693 -3.374 -0.098) 3.446 12.611 ( -0.693 3.374 -0.098) 3.446 12.848 ( 0.830 -1.282 0.001) 1.527 12.848 ( 0.830 1.282 0.001) 1.527 13.044 ( 0.676 -0.388 -0.537) 0.946 13.044 ( 0.676 0.388 -0.537) 0.946 13.229 ( -5.536 -3.347 -2.705) 7.012 13.229 ( -5.536 3.347 -2.705) 7.012 13.617 ( -2.660 -1.535 0.180) 3.076 13.617 ( -2.660 1.535 0.180) 3.076 13.768 ( -0.064 -0.554 0.151) 0.578 13.768 ( -0.064 0.554 0.151) 0.578 14.333 ( -2.890 -3.206 1.908) 4.719 14.333 ( -2.890 3.206 1.908) 4.719 14.446 ( 4.191 -1.268 -1.624) 4.670 14.446 ( 4.191 1.268 -1.624) 4.670 14.584 ( -2.701 -3.240 2.417) 4.861 14.584 ( -2.701 3.240 2.417) 4.861 14.788 ( 4.869 -1.246 1.393) 5.215 14.788 ( 4.869 1.246 1.393) 5.216 17.436 ( -1.515 -0.216 1.550) 2.178 17.436 ( -1.515 0.216 1.550) 2.178 17.591 ( -3.162 -1.195 4.725) 5.810 17.591 ( -3.162 1.195 4.725) 5.810 17.788 ( 2.506 -0.542 -0.412) 2.597 17.788 ( 2.506 0.542 -0.412) 2.597 17.940 ( -1.204 -2.247 -0.825) 2.679 17.940 ( -1.204 2.247 -0.825) 2.679 18.454 ( 4.080 -1.587 2.518) 5.050 18.454 ( 4.080 1.587 2.518) 5.050 18.530 ( -3.377 -0.462 1.822) 3.865 18.530 ( -3.377 0.462 1.822) 3.865 18.734 ( -0.868 -1.101 0.644) 1.543 18.734 ( -0.868 1.101 0.644) 1.543 18.891 ( 2.618 -0.935 1.227) 3.039 18.891 ( 2.618 0.935 1.227) 3.039 19.788 ( -0.601 -6.714 -3.633) 7.658 19.788 ( -0.601 6.714 -3.633) 7.658 19.913 ( 2.696 -2.107 -3.608) 4.972 19.913 ( 2.696 2.107 -3.608) 4.972 19.958 ( -0.073 -0.797 -0.287) 0.850 19.958 ( -0.073 0.797 -0.287) 0.850 20.324 ( 0.686 -1.765 -0.928) 2.109 20.324 ( 0.686 1.765 -0.928) 2.109 20.571 ( -0.082 -1.757 0.279) 1.781 20.571 ( -0.082 1.757 0.279) 1.781 20.730 ( -0.067 -2.722 -0.707) 2.813 20.730 ( -0.067 2.722 -0.707) 2.813 20.949 ( -1.052 -3.260 -2.142) 4.041 20.949 ( -1.052 3.260 -2.142) 4.041 21.217 ( 0.199 -1.115 -2.265) 2.533 21.217 ( 0.199 1.115 -2.265) 2.533 24.539 ( -0.386 -0.686 1.269) 1.494 24.539 ( -0.386 0.686 1.269) 1.494 24.613 ( -1.304 -0.646 0.825) 1.673 24.613 ( -1.304 0.646 0.825) 1.673 24.985 ( -0.020 -1.124 0.120) 1.131 24.985 ( -0.020 1.124 0.120) 1.131 25.126 ( 0.637 -0.446 0.335) 0.847 25.126 ( 0.637 0.446 0.335) 0.847 28.488 ( 2.183 -0.735 -0.673) 2.400 28.488 ( 2.183 0.735 -0.673) 2.400 28.542 ( 0.172 -0.544 -1.089) 1.229 28.542 ( 0.172 0.544 -1.089) 1.229 28.602 ( -1.467 -1.078 -0.781) 1.981 28.602 ( -1.467 1.078 -0.781) 1.981 28.643 ( -0.020 -1.360 -1.271) 1.862 28.643 ( -0.020 1.360 -1.271) 1.862 35.343 ( -0.653 -1.549 0.732) 1.833 35.343 ( -0.653 1.549 0.732) 1.833 35.672 ( 9.592 -4.249 -4.492) 11.412 35.672 ( 9.592 4.249 -4.492) 11.412 36.269 ( 0.301 -1.498 0.905) 1.776 36.269 ( 0.301 1.498 0.905) 1.776 37.206 ( 1.706 -16.430 -4.234) 17.052 37.206 ( 1.706 16.430 -4.234) 17.052 37.634 ( -0.765 -3.316 0.890) 3.518 37.634 ( -0.765 3.316 0.890) 3.518 38.003 ( 0.340 -3.679 -1.105) 3.856 38.003 ( 0.340 3.679 -1.105) 3.856 38.223 ( -0.699 -4.688 -1.604) 5.004 38.223 ( -0.699 4.688 -1.604) 5.004 38.463 ( 2.163 -5.384 -6.640) 8.817 38.463 ( 2.163 5.384 -6.640) 8.817 38.762 ( -0.964 -4.812 -1.084) 5.026 38.762 ( -0.964 4.812 -1.084) 5.026 39.057 ( 3.647 -2.707 0.363) 4.557 39.057 ( 3.647 2.707 0.363) 4.557 39.371 ( -4.550 -1.682 -1.502) 5.079 39.371 ( -4.550 1.682 -1.502) 5.079 39.486 ( 3.033 -2.184 -0.352) 3.754 39.486 ( 3.033 2.184 -0.352) 3.754 39.659 ( 1.795 -2.846 8.667) 9.297 39.659 ( 1.795 2.846 8.667) 9.297 40.024 ( -4.943 -9.075 4.085) 11.111 40.024 ( -4.943 9.075 4.085) 11.111 40.395 ( -3.192 -3.437 -1.927) 5.071 40.395 ( -3.192 3.437 -1.927) 5.071 41.002 ( 2.115 -17.157 2.777) 17.508 41.002 ( 2.115 17.157 2.777) 17.508 ======================= Grid point 57 (32/66) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -3.587 -8.227 2.894) 9.430 1.146 ( -3.587 8.227 2.894) 9.430 1.509 ( -1.048 -2.791 2.403) 3.829 1.509 ( -1.048 2.791 2.403) 3.829 1.640 ( 0.947 -3.828 2.974) 4.939 1.640 ( 0.947 3.828 2.974) 4.939 1.704 ( 6.405 -6.330 4.211) 9.941 1.704 ( 6.405 6.330 4.211) 9.941 1.988 ( -1.199 -5.121 -0.758) 5.314 1.988 ( -1.199 5.121 -0.758) 5.314 2.157 ( 7.072 -1.956 -2.276) 7.682 2.157 ( 7.072 1.956 -2.276) 7.682 2.216 ( -1.429 -2.876 -1.204) 3.430 2.216 ( -1.429 2.876 -1.204) 3.430 2.432 ( -1.202 -1.195 0.963) 1.950 2.432 ( -1.202 1.195 0.963) 1.950 2.633 ( -10.282 -4.554 2.516) 11.523 2.633 ( -10.282 4.554 2.516) 11.523 2.686 ( 0.783 -3.661 3.787) 5.325 2.686 ( 0.783 3.661 3.787) 5.325 2.974 ( 1.905 -3.581 0.959) 4.168 2.974 ( 1.905 3.581 0.959) 4.168 3.153 ( 4.092 -2.785 0.518) 4.977 3.153 ( 4.092 2.785 0.518) 4.977 3.659 ( -7.053 -3.141 3.031) 8.295 3.659 ( -7.053 3.141 3.031) 8.295 3.806 ( 2.173 -2.153 1.115) 3.256 3.806 ( 2.173 2.153 1.115) 3.256 3.999 ( -1.459 -6.422 7.098) 9.683 3.999 ( -1.459 6.422 7.098) 9.683 4.185 ( -0.835 -2.890 7.064) 7.678 4.185 ( -0.835 2.890 7.064) 7.678 4.397 ( 2.550 -6.217 5.724) 8.827 4.397 ( 2.550 6.217 5.724) 8.827 4.497 ( -3.141 -2.624 3.647) 5.483 4.497 ( -3.141 2.624 3.647) 5.483 4.587 ( -2.485 -3.691 4.445) 6.289 4.587 ( -2.485 3.691 4.445) 6.289 4.791 ( -2.416 -9.939 -1.023) 10.280 4.791 ( -2.416 9.939 -1.023) 10.280 4.966 ( -4.626 -5.561 9.016) 11.559 4.966 ( -4.626 5.561 9.016) 11.559 5.146 ( -2.318 -1.846 4.795) 5.637 5.146 ( -2.318 1.846 4.795) 5.637 5.167 ( -10.724 -6.988 6.679) 14.437 5.167 ( -10.724 6.988 6.679) 14.437 5.436 ( 5.894 -0.575 3.917) 7.100 5.436 ( 5.894 0.575 3.917) 7.100 5.509 ( 9.004 -8.282 3.083) 12.617 5.509 ( 9.004 8.282 3.083) 12.617 5.624 ( -0.791 -4.118 -0.322) 4.206 5.624 ( -0.791 4.118 -0.322) 4.206 5.773 ( -3.798 -3.174 0.309) 4.959 5.773 ( -3.798 3.174 0.309) 4.959 5.859 ( 3.995 -3.325 0.272) 5.205 5.859 ( 3.995 3.325 0.272) 5.205 6.260 ( -3.674 -0.856 0.082) 3.773 6.260 ( -3.674 0.856 0.082) 3.773 6.406 ( 4.477 -2.265 1.194) 5.157 6.406 ( 4.477 2.265 1.194) 5.157 6.506 ( 5.628 -5.969 0.871) 8.250 6.506 ( 5.628 5.969 0.871) 8.250 6.584 ( -1.642 -5.260 2.951) 6.251 6.584 ( -1.642 5.260 2.951) 6.251 6.828 ( 3.406 -7.495 4.175) 9.231 6.828 ( 3.406 7.495 4.175) 9.231 7.066 ( -0.320 -5.698 -3.246) 6.565 7.066 ( -0.320 5.698 -3.246) 6.565 7.235 ( 2.336 -4.529 -1.248) 5.247 7.235 ( 2.336 4.529 -1.248) 5.247 7.434 ( -5.249 -1.514 -2.345) 5.945 7.434 ( -5.249 1.514 -2.345) 5.945 7.666 ( -5.793 -5.877 -2.626) 8.660 7.666 ( -5.793 5.877 -2.626) 8.660 7.885 ( 0.239 -4.179 -2.753) 5.010 7.885 ( 0.239 4.179 -2.753) 5.010 8.136 ( 4.740 -9.475 -0.865) 10.630 8.136 ( 4.740 9.475 -0.865) 10.630 8.269 ( 0.757 -2.163 -2.028) 3.060 8.269 ( 0.757 2.163 -2.028) 3.060 8.368 ( 2.366 -6.061 -3.691) 7.481 8.368 ( 2.366 6.061 -3.691) 7.481 8.455 ( -4.679 -8.881 -0.144) 10.039 8.455 ( -4.679 8.881 -0.144) 10.039 8.603 ( -1.375 -6.058 0.521) 6.234 8.603 ( -1.375 6.058 0.521) 6.234 8.699 ( -1.135 -0.978 -4.425) 4.672 8.699 ( -1.135 0.978 -4.425) 4.672 8.964 ( 0.660 -5.431 -3.999) 6.776 8.964 ( 0.660 5.431 -3.999) 6.776 9.117 ( -1.058 -0.151 -1.117) 1.546 9.117 ( -1.058 0.151 -1.117) 1.546 9.328 ( 2.604 -5.460 -4.874) 7.769 9.328 ( 2.604 5.460 -4.874) 7.769 9.437 ( 2.159 -7.208 -2.945) 8.080 9.437 ( 2.159 7.208 -2.945) 8.080 9.546 ( 2.185 -6.956 -1.237) 7.396 9.546 ( 2.185 6.956 -1.237) 7.396 9.758 ( 2.606 -4.177 -2.153) 5.373 9.758 ( 2.606 4.177 -2.153) 5.373 9.862 ( -2.433 -3.136 -4.051) 5.671 9.862 ( -2.433 3.136 -4.051) 5.671 10.124 ( -0.392 -1.609 -6.471) 6.679 10.124 ( -0.392 1.609 -6.471) 6.679 11.412 ( -0.076 -0.746 1.484) 1.663 11.412 ( -0.076 0.746 1.484) 1.663 11.692 ( 0.353 -2.615 -3.629) 4.487 11.692 ( 0.353 2.615 -3.629) 4.487 11.931 ( -1.571 -3.426 4.682) 6.011 11.931 ( -1.571 3.426 4.682) 6.011 11.986 ( 2.987 -1.678 -0.543) 3.469 11.986 ( 2.987 1.678 -0.543) 3.469 12.413 ( -1.858 -1.409 7.691) 8.037 12.413 ( -1.858 1.409 7.691) 8.037 12.493 ( 0.344 -3.187 1.287) 3.454 12.493 ( 0.344 3.187 1.287) 3.454 12.632 ( 2.774 -3.924 -1.254) 4.966 12.632 ( 2.774 3.924 -1.254) 4.966 12.908 ( 5.760 -1.973 -1.005) 6.171 12.908 ( 5.760 1.973 -1.005) 6.171 13.038 ( -3.539 -3.164 1.158) 4.887 13.038 ( -3.539 3.164 1.158) 4.887 13.125 ( -0.754 -0.481 -1.703) 1.924 13.125 ( -0.754 0.481 -1.703) 1.924 13.545 ( -3.551 -0.855 -0.512) 3.688 13.545 ( -3.551 0.855 -0.512) 3.688 13.750 ( -1.662 -1.062 -0.675) 2.085 13.750 ( -1.662 1.062 -0.675) 2.085 14.255 ( -3.303 -2.504 1.714) 4.485 14.255 ( -3.303 2.504 1.714) 4.485 14.409 ( -6.135 -6.022 3.421) 9.252 14.409 ( -6.135 6.022 3.421) 9.252 14.607 ( 2.373 -1.352 -1.291) 3.021 14.607 ( 2.373 1.352 -1.291) 3.021 14.869 ( 1.300 -0.313 2.116) 2.503 14.869 ( 1.300 0.313 2.116) 2.503 17.430 ( 0.101 -0.420 0.461) 0.632 17.430 ( 0.101 0.420 0.461) 0.632 17.575 ( 0.210 -0.924 3.795) 3.912 17.575 ( 0.210 0.924 3.795) 3.912 17.845 ( 2.421 -1.602 -0.387) 2.929 17.845 ( 2.421 1.602 -0.387) 2.929 17.967 ( 4.155 -2.075 -1.628) 4.922 17.967 ( 4.155 2.075 -1.628) 4.922 18.434 ( -4.926 -1.859 0.160) 5.267 18.434 ( -4.926 1.859 0.160) 5.267 18.527 ( 0.300 -0.849 4.221) 4.316 18.527 ( 0.300 0.849 4.221) 4.316 18.747 ( 0.970 -1.075 1.497) 2.083 18.747 ( 0.970 1.075 1.497) 2.083 18.931 ( 0.376 -1.276 2.215) 2.584 18.931 ( 0.376 1.276 2.215) 2.584 19.776 ( 0.800 -6.109 -2.836) 6.782 19.776 ( 0.800 6.109 -2.836) 6.782 19.936 ( 0.976 -1.853 -3.931) 4.454 19.936 ( 0.976 1.853 -3.931) 4.454 19.958 ( 0.365 -1.560 -1.330) 2.083 19.958 ( 0.365 1.560 -1.330) 2.083 20.347 ( 1.616 -1.269 -1.074) 2.318 20.347 ( 1.616 1.269 -1.074) 2.318 20.566 ( -0.430 -1.751 0.329) 1.833 20.566 ( -0.430 1.751 0.329) 1.833 20.728 ( 0.069 -2.900 -0.171) 2.906 20.728 ( 0.069 2.900 -0.171) 2.906 20.934 ( 0.792 -3.595 -1.960) 4.171 20.934 ( 0.792 3.595 -1.960) 4.171 21.213 ( 0.223 -1.133 -1.703) 2.058 21.213 ( 0.223 1.133 -1.703) 2.058 24.532 ( -0.786 -0.520 1.239) 1.556 24.532 ( -0.786 0.520 1.239) 1.556 24.591 ( -0.638 -0.794 0.226) 1.043 24.591 ( -0.638 0.794 0.226) 1.043 24.984 ( -0.327 -1.099 0.697) 1.342 24.984 ( -0.327 1.099 0.697) 1.342 25.132 ( -0.208 -0.939 0.311) 1.010 25.132 ( -0.208 0.939 0.311) 1.010 28.507 ( -0.481 -0.822 -1.041) 1.411 28.507 ( -0.481 0.822 -1.041) 1.411 28.538 ( -0.606 -1.356 -0.813) 1.693 28.538 ( -0.606 1.356 -0.813) 1.693 28.587 ( 1.392 -0.336 -0.629) 1.564 28.587 ( 1.392 0.336 -0.629) 1.564 28.642 ( 0.437 -1.206 -1.364) 1.873 28.642 ( 0.437 1.206 -1.364) 1.873 35.344 ( 0.164 -2.068 0.874) 2.252 35.344 ( 0.164 2.068 0.874) 2.252 35.844 ( 7.572 -7.276 -8.200) 13.323 35.844 ( 7.572 7.276 -8.200) 13.323 36.296 ( 1.923 -1.836 0.584) 2.722 36.296 ( 1.923 1.836 0.584) 2.722 37.123 ( -6.856 -17.249 -4.909) 19.199 37.123 ( -6.856 17.249 -4.909) 19.199 37.643 ( 0.943 -4.300 1.161) 4.552 37.643 ( 0.943 4.300 1.161) 4.552 38.035 ( 2.517 -2.639 -0.299) 3.660 38.035 ( 2.517 2.639 -0.299) 3.660 38.197 ( -0.686 -4.364 -2.334) 4.996 38.197 ( -0.686 4.364 -2.334) 4.996 38.472 ( 1.461 -5.893 -6.689) 9.033 38.472 ( 1.461 5.893 -6.689) 9.033 38.746 ( -0.121 -4.422 -0.506) 4.452 38.746 ( -0.121 4.422 -0.506) 4.452 39.128 ( 1.952 -4.705 -0.200) 5.098 39.128 ( 1.952 4.705 -0.200) 5.098 39.275 ( -3.287 -2.241 -0.834) 4.065 39.275 ( -3.287 2.241 -0.834) 4.065 39.503 ( -1.008 -1.941 -1.682) 2.759 39.503 ( -1.008 1.941 -1.682) 2.759 39.752 ( 2.488 -1.538 9.694) 10.126 39.752 ( 2.488 1.538 9.694) 10.126 39.926 ( -3.884 -4.613 0.200) 6.033 39.926 ( -3.884 4.613 0.200) 6.033 40.390 ( 1.998 -7.703 4.595) 9.189 40.390 ( 1.998 7.703 4.595) 9.189 40.990 ( -3.607 -17.864 0.057) 18.225 40.990 ( -3.607 17.864 0.057) 18.225 ======================= Grid point 59 (33/66) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 4.360 -10.833 8.243) 14.294 1.200 ( 4.360 10.833 8.243) 14.294 1.432 ( -4.559 -8.055 3.047) 9.744 1.432 ( -4.559 8.055 3.047) 9.744 1.639 ( -1.264 -2.782 1.904) 3.600 1.639 ( -1.264 2.782 1.904) 3.600 1.866 ( 2.896 -1.813 2.243) 4.088 1.866 ( 2.896 1.813 2.243) 4.088 1.978 ( 0.790 -4.171 1.477) 4.494 1.978 ( 0.790 4.171 1.477) 4.494 2.072 ( -9.800 -2.395 -2.400) 10.370 2.072 ( -9.800 2.395 -2.400) 10.370 2.281 ( -11.168 -9.029 7.376) 16.145 2.281 ( -11.168 9.029 7.376) 16.145 2.350 ( 5.070 -2.759 -0.274) 5.779 2.350 ( 5.070 2.759 -0.274) 5.779 2.503 ( 1.176 -1.827 3.067) 3.759 2.503 ( 1.176 1.827 3.067) 3.759 2.672 ( -3.069 -6.172 0.722) 6.931 2.672 ( -3.069 6.172 0.722) 6.931 2.963 ( -1.442 -6.049 0.552) 6.243 2.963 ( -1.442 6.049 0.552) 6.243 3.259 ( 4.150 -1.319 -2.626) 5.085 3.259 ( 4.150 1.319 -2.626) 5.085 3.551 ( -3.072 -2.084 2.472) 4.460 3.551 ( -3.072 2.084 2.472) 4.460 3.899 ( 3.021 -5.388 3.503) 7.101 3.899 ( 3.021 5.388 3.503) 7.101 4.000 ( 0.549 -4.740 4.588) 6.620 4.000 ( 0.549 4.740 4.588) 6.620 4.198 ( -0.953 -5.115 7.600) 9.211 4.198 ( -0.953 5.115 7.600) 9.211 4.400 ( -4.663 -5.869 -0.604) 7.520 4.400 ( -4.663 5.869 -0.604) 7.520 4.464 ( 0.196 -2.617 3.781) 4.603 4.464 ( 0.196 2.617 3.781) 4.603 4.581 ( 1.215 -5.085 7.619) 9.240 4.581 ( 1.215 5.085 7.619) 9.240 4.753 ( -9.507 -0.926 2.456) 9.863 4.753 ( -9.507 0.926 2.456) 9.863 4.844 ( -2.915 -2.521 3.011) 4.891 4.844 ( -2.915 2.521 3.011) 4.891 5.039 ( -3.982 -4.052 11.741) 13.043 5.039 ( -3.982 4.052 11.741) 13.043 5.127 ( -0.465 -3.856 2.142) 4.435 5.127 ( -0.465 3.856 2.142) 4.435 5.381 ( -8.611 -0.565 3.753) 9.411 5.381 ( -8.611 0.565 3.753) 9.411 5.530 ( -5.330 -6.903 0.806) 8.758 5.530 ( -5.330 6.903 0.806) 8.758 5.698 ( 5.336 -5.306 0.900) 7.579 5.698 ( 5.336 5.306 0.900) 7.579 5.803 ( 4.107 -1.346 3.897) 5.820 5.803 ( 4.107 1.346 3.897) 5.820 5.983 ( -1.634 -4.779 2.031) 5.444 5.983 ( -1.634 4.779 2.031) 5.444 6.250 ( 8.117 -1.642 -1.106) 8.355 6.250 ( 8.117 1.642 -1.106) 8.355 6.364 ( -3.841 -5.161 -0.207) 6.437 6.364 ( -3.841 5.161 -0.207) 6.437 6.557 ( -0.601 -1.935 -0.478) 2.082 6.557 ( -0.601 1.935 -0.478) 2.082 6.703 ( 4.918 -6.387 -0.987) 8.121 6.703 ( 4.918 6.387 -0.987) 8.121 6.969 ( 7.876 -7.344 2.375) 11.028 6.969 ( 7.876 7.344 2.375) 11.028 7.040 ( -2.978 -2.152 -0.341) 3.690 7.040 ( -2.978 2.152 -0.341) 3.690 7.310 ( 4.661 -5.554 1.219) 7.352 7.310 ( 4.661 5.554 1.219) 7.352 7.383 ( 4.656 -2.815 -1.155) 5.562 7.383 ( 4.656 2.815 -1.155) 5.562 7.599 ( -1.826 -3.340 -4.397) 5.816 7.599 ( -1.826 3.340 -4.397) 5.816 7.820 ( -2.645 -1.329 -2.773) 4.056 7.820 ( -2.645 1.329 -2.773) 4.056 8.166 ( -2.044 -7.551 0.160) 7.824 8.166 ( -2.044 7.551 0.160) 7.824 8.220 ( -5.013 -7.510 -5.008) 10.325 8.220 ( -5.013 7.510 -5.008) 10.325 8.362 ( 1.224 -4.378 -1.299) 4.728 8.362 ( 1.224 4.378 -1.299) 4.728 8.448 ( -0.150 -4.241 -0.713) 4.303 8.448 ( -0.150 4.241 -0.713) 4.303 8.522 ( -1.858 -1.098 1.308) 2.523 8.522 ( -1.858 1.098 1.308) 2.523 8.704 ( 2.451 -1.248 -2.189) 3.515 8.704 ( 2.451 1.248 -2.189) 3.515 8.974 ( 0.803 -3.943 -2.881) 4.949 8.974 ( 0.803 3.943 -2.881) 4.949 9.064 ( -2.341 -1.887 -0.632) 3.072 9.064 ( -2.341 1.887 -0.632) 3.072 9.372 ( 2.098 -5.643 -5.928) 8.449 9.372 ( 2.098 5.643 -5.928) 8.449 9.450 ( 1.886 -7.260 -4.692) 8.847 9.450 ( 1.886 7.260 -4.692) 8.847 9.547 ( -1.023 -6.935 -0.919) 7.070 9.547 ( -1.023 6.935 -0.919) 7.070 9.666 ( -6.012 -2.769 -5.909) 8.873 9.666 ( -6.012 2.769 -5.909) 8.873 9.936 ( 6.847 -0.250 -0.880) 6.908 9.936 ( 6.847 0.250 -0.880) 6.908 10.162 ( 5.098 -1.458 -4.181) 6.752 10.162 ( 5.098 1.458 -4.181) 6.752 11.413 ( -0.428 -1.120 1.424) 1.862 11.413 ( -0.428 1.120 1.424) 1.862 11.681 ( 0.214 -2.805 -3.415) 4.425 11.681 ( 0.214 2.805 -3.415) 4.425 11.899 ( -2.624 -4.105 3.862) 6.217 11.899 ( -2.624 4.105 3.862) 6.217 12.042 ( 1.292 -2.112 0.393) 2.506 12.042 ( 1.292 2.112 0.393) 2.506 12.398 ( -2.075 -1.284 7.452) 7.841 12.398 ( -2.075 1.284 7.452) 7.841 12.488 ( -1.663 -3.521 1.680) 4.241 12.488 ( -1.663 3.521 1.680) 4.241 12.685 ( 1.861 -2.704 -0.296) 3.295 12.685 ( 1.861 2.704 -0.296) 3.295 12.900 ( -6.271 -3.231 0.722) 7.091 12.900 ( -6.271 3.231 0.722) 7.091 13.022 ( 2.310 -2.758 -0.128) 3.600 13.022 ( 2.310 2.758 -0.128) 3.600 13.229 ( 9.855 -1.968 -4.279) 10.922 13.229 ( 9.855 1.968 -4.279) 10.922 13.511 ( 1.417 -3.005 -0.733) 3.403 13.511 ( 1.417 3.005 -0.733) 3.403 13.717 ( -0.535 -0.703 -0.074) 0.887 13.717 ( -0.535 0.703 -0.074) 0.887 14.268 ( 3.830 -2.557 -0.408) 4.624 14.268 ( 3.830 2.557 -0.408) 4.624 14.305 ( -4.343 -4.898 1.876) 6.810 14.305 ( -4.343 4.898 1.876) 6.810 14.613 ( -0.924 -2.250 -1.153) 2.692 14.613 ( -0.924 2.250 -1.153) 2.692 14.852 ( -3.943 -0.949 4.449) 6.020 14.852 ( -3.943 0.949 4.449) 6.020 17.447 ( 1.414 -0.313 0.320) 1.483 17.447 ( 1.414 0.313 0.320) 1.483 17.610 ( 1.079 -1.973 2.695) 3.510 17.610 ( 1.079 1.973 2.695) 3.510 17.864 ( -1.344 -1.115 1.302) 2.178 17.864 ( -1.344 1.115 1.302) 2.178 18.025 ( 0.479 -1.334 0.600) 1.539 18.025 ( 0.479 1.334 0.600) 1.539 18.351 ( -2.563 -0.854 0.457) 2.740 18.351 ( -2.563 0.854 0.457) 2.740 18.541 ( 0.157 -1.678 3.362) 3.761 18.541 ( 0.157 1.678 3.362) 3.761 18.762 ( 0.248 -0.450 0.428) 0.669 18.762 ( 0.248 0.450 0.428) 0.669 18.914 ( -3.050 -0.353 1.849) 3.584 18.914 ( -3.050 0.353 1.849) 3.584 19.792 ( 1.962 -6.941 -3.023) 7.821 19.792 ( 1.962 6.941 -3.023) 7.821 19.919 ( -0.851 -2.093 -4.325) 4.879 19.919 ( -0.851 2.093 -4.325) 4.879 19.958 ( 0.232 -0.569 -0.686) 0.921 19.958 ( 0.232 0.569 -0.686) 0.921 20.357 ( -0.362 -1.796 -1.318) 2.256 20.357 ( -0.362 1.796 -1.318) 2.256 20.563 ( -0.030 -1.978 0.408) 2.020 20.563 ( -0.030 1.978 0.408) 2.020 20.731 ( 0.360 -3.018 -0.630) 3.104 20.731 ( 0.360 3.018 -0.630) 3.104 20.961 ( 2.355 -3.913 -2.929) 5.425 20.961 ( 2.355 3.913 -2.929) 5.425 21.214 ( 0.690 -1.393 -1.957) 2.499 21.214 ( 0.690 1.393 -1.957) 2.499 24.525 ( -0.308 -0.877 1.675) 1.915 24.525 ( -0.308 0.877 1.675) 1.915 24.599 ( 1.055 -0.741 0.515) 1.389 24.599 ( 1.055 0.741 0.515) 1.389 24.981 ( -0.184 -1.029 0.693) 1.255 24.981 ( -0.184 1.029 0.693) 1.255 25.122 ( -0.766 -1.053 0.208) 1.319 25.122 ( -0.766 1.053 0.208) 1.319 28.475 ( -1.564 -0.525 -0.892) 1.876 28.475 ( -1.564 0.525 -0.892) 1.876 28.532 ( 0.392 -0.611 -0.695) 1.005 28.532 ( 0.392 0.611 -0.695) 1.005 28.619 ( 1.291 -0.942 -1.047) 1.911 28.619 ( 1.291 0.942 -1.047) 1.911 28.647 ( 0.617 -0.702 -1.089) 1.435 28.647 ( 0.617 0.702 -1.089) 1.435 35.352 ( 0.353 -2.078 0.679) 2.214 35.352 ( 0.353 2.078 0.679) 2.214 35.817 ( -7.291 -7.928 -6.864) 12.772 35.817 ( -7.291 7.928 -6.864) 12.772 36.310 ( -1.388 -1.989 -0.108) 2.428 36.310 ( -1.388 1.989 -0.108) 2.428 37.018 ( 1.029 -13.317 -3.874) 13.907 37.018 ( 1.029 13.317 -3.874) 13.907 37.664 ( 0.226 -4.160 1.468) 4.417 37.664 ( 0.226 4.160 1.468) 4.417 38.059 ( -0.303 -4.917 -1.118) 5.052 38.059 ( -0.303 4.917 -1.118) 5.052 38.196 ( 1.667 -2.627 -1.864) 3.626 38.196 ( 1.667 2.627 -1.864) 3.626 38.464 ( 0.801 -5.726 -6.902) 9.004 38.464 ( 0.801 5.726 -6.902) 9.004 38.758 ( 1.321 -4.685 0.066) 4.868 38.758 ( 1.321 4.685 0.066) 4.868 39.070 ( -4.791 -3.473 -1.783) 6.180 39.070 ( -4.791 3.473 -1.783) 6.180 39.304 ( 4.576 -1.963 0.403) 4.995 39.304 ( 4.576 1.963 0.403) 4.995 39.466 ( -1.115 -1.227 -1.987) 2.587 39.466 ( -1.115 1.227 -1.987) 2.587 39.744 ( -5.549 -2.411 2.893) 6.707 39.744 ( -5.549 2.411 2.893) 6.707 39.952 ( 3.156 -5.299 9.401) 11.243 39.952 ( 3.156 5.299 9.401) 11.243 40.492 ( 4.471 -10.217 5.881) 12.608 40.492 ( 4.471 10.217 5.881) 12.608 40.894 ( -4.230 -15.604 -1.468) 16.234 40.894 ( -4.230 15.604 -1.468) 16.234 ======================= Grid point 65 (34/66) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 7.762 0.000 16.288) 18.043 1.341 ( -7.151 0.000 15.093) 16.701 1.392 ( -9.172 0.000 -2.104) 9.410 1.521 ( -10.327 0.000 2.341) 10.589 1.679 ( -2.883 0.000 -2.257) 3.661 1.783 ( -0.421 0.000 4.134) 4.156 1.796 ( -2.284 0.000 2.423) 3.330 1.949 ( 1.386 0.000 -0.144) 1.393 1.973 ( 5.993 0.000 -1.687) 6.226 1.978 ( 0.341 0.000 2.456) 2.479 2.161 ( 2.367 0.000 7.337) 7.710 2.196 ( 0.459 0.000 6.583) 6.599 2.219 ( 0.036 0.000 0.676) 0.677 2.230 ( -0.146 0.000 -2.253) 2.258 2.442 ( -0.987 0.000 1.400) 1.713 2.601 ( 2.167 0.000 4.207) 4.732 2.631 ( -3.433 0.000 -1.680) 3.822 2.634 ( -4.244 0.000 -2.019) 4.700 2.689 ( -5.714 0.000 1.419) 5.888 2.861 ( 6.766 0.000 -1.089) 6.853 2.987 ( -7.090 0.000 -2.848) 7.641 3.023 ( -1.160 0.000 1.663) 2.027 3.093 ( -5.393 0.000 1.043) 5.493 3.113 ( 8.532 0.000 -5.384) 10.089 3.359 ( -3.160 0.000 6.918) 7.605 3.448 ( 6.637 0.000 4.553) 8.049 3.797 ( -11.788 0.000 -0.724) 11.810 3.831 ( -0.349 0.000 0.489) 0.601 3.924 ( 10.945 0.000 7.376) 13.198 4.075 ( 2.892 0.000 7.965) 8.474 4.246 ( 0.069 0.000 -2.501) 2.501 4.288 ( 4.524 0.000 4.407) 6.316 4.411 ( 6.182 0.000 5.276) 8.127 4.453 ( 1.587 0.000 7.954) 8.111 4.476 ( -4.186 0.000 9.893) 10.742 4.561 ( -9.073 0.000 6.511) 11.167 4.642 ( 2.715 0.000 9.870) 10.236 4.727 ( -0.194 0.000 1.729) 1.740 4.747 ( -0.657 0.000 1.973) 2.080 4.861 ( -1.632 0.000 -2.667) 3.127 4.916 ( -2.401 0.000 10.058) 10.341 4.967 ( 0.548 0.000 1.179) 1.300 5.015 ( -1.217 0.000 2.629) 2.897 5.077 ( -7.205 0.000 -4.600) 8.549 5.260 ( 3.354 0.000 0.548) 3.399 5.277 ( -4.420 0.000 8.135) 9.258 5.341 ( 2.930 0.000 4.839) 5.657 5.480 ( 1.627 0.000 0.473) 1.694 5.563 ( -1.827 0.000 -0.323) 1.855 5.563 ( -7.576 0.000 7.011) 10.322 5.642 ( -1.334 0.000 5.682) 5.836 5.717 ( 2.196 0.000 3.048) 3.757 5.811 ( -8.279 0.000 -1.094) 8.351 5.859 ( -6.474 0.000 5.965) 8.803 5.979 ( -4.300 0.000 -4.138) 5.967 6.098 ( 1.562 0.000 7.927) 8.079 6.204 ( -2.140 0.000 1.129) 2.419 6.234 ( -2.260 0.000 6.239) 6.636 6.325 ( 5.687 0.000 4.091) 7.005 6.469 ( -2.981 0.000 -10.869) 11.270 6.520 ( -0.479 0.000 -3.821) 3.851 6.588 ( -3.942 0.000 -5.614) 6.859 6.601 ( 2.461 0.000 -4.487) 5.117 6.708 ( 0.448 0.000 6.028) 6.045 6.841 ( 3.838 0.000 5.636) 6.819 6.898 ( -1.525 0.000 1.711) 2.292 7.009 ( 6.232 0.000 3.994) 7.402 7.070 ( -0.302 0.000 -1.389) 1.422 7.279 ( -2.195 0.000 1.085) 2.448 7.333 ( 3.271 0.000 2.687) 4.233 7.384 ( 1.777 0.000 -5.109) 5.409 7.471 ( 2.028 0.000 -4.256) 4.714 7.497 ( -7.653 0.000 -1.014) 7.720 7.542 ( 1.191 0.000 -1.164) 1.665 7.667 ( 0.354 0.000 -9.893) 9.899 7.848 ( 1.965 0.000 -2.106) 2.880 7.940 ( 12.751 0.000 5.028) 13.706 7.953 ( 5.785 0.000 0.768) 5.836 8.072 ( 4.930 0.000 -1.584) 5.178 8.085 ( -1.237 0.000 3.302) 3.527 8.203 ( -1.928 0.000 -3.149) 3.692 8.228 ( -6.817 0.000 -0.375) 6.827 8.454 ( 3.154 0.000 8.093) 8.686 8.560 ( -0.273 0.000 -6.907) 6.912 8.566 ( -1.267 0.000 -2.535) 2.834 8.735 ( -2.428 0.000 0.948) 2.607 8.792 ( 6.652 0.000 -6.623) 9.387 8.884 ( -0.601 0.000 1.110) 1.262 8.885 ( -2.212 0.000 -8.220) 8.512 9.013 ( 0.434 0.000 1.925) 1.974 9.045 ( -0.929 0.000 -2.426) 2.598 9.093 ( -2.323 0.000 -5.077) 5.583 9.238 ( -3.839 0.000 -2.906) 4.815 9.274 ( 2.391 0.000 0.006) 2.391 9.349 ( 6.999 0.000 0.666) 7.031 9.354 ( -3.914 0.000 -1.148) 4.079 9.558 ( 0.262 0.000 1.927) 1.944 9.574 ( 4.300 0.000 -9.630) 10.546 9.602 ( -3.448 0.000 -2.703) 4.381 9.761 ( 2.936 0.000 -4.812) 5.636 10.053 ( -2.271 0.000 0.705) 2.378 10.061 ( 4.257 0.000 -1.227) 4.430 10.133 ( 3.265 0.000 1.039) 3.426 10.210 ( -3.076 0.000 -1.316) 3.345 11.451 ( 0.860 0.000 2.680) 2.815 11.489 ( -1.678 0.000 1.840) 2.490 11.654 ( 0.758 0.000 -0.230) 0.793 11.774 ( -1.003 0.000 -3.039) 3.200 11.883 ( -0.208 0.000 2.098) 2.108 11.925 ( -0.484 0.000 1.447) 1.526 11.993 ( 0.195 0.000 0.096) 0.218 12.090 ( -0.976 0.000 0.139) 0.986 12.381 ( -4.565 0.000 7.047) 8.397 12.454 ( -3.497 0.000 4.720) 5.874 12.473 ( -0.754 0.000 5.409) 5.461 12.611 ( -0.612 0.000 0.699) 0.929 12.616 ( -3.012 0.000 2.995) 4.247 12.775 ( -1.478 0.000 -0.581) 1.588 12.841 ( -5.125 0.000 -1.141) 5.250 12.910 ( -0.355 0.000 4.043) 4.059 13.015 ( 1.242 0.000 -2.899) 3.154 13.080 ( 2.566 0.000 -4.332) 5.035 13.136 ( -3.213 0.000 -1.449) 3.525 13.244 ( 5.162 0.000 -3.578) 6.281 13.499 ( 7.805 0.000 1.407) 7.931 13.611 ( 4.670 0.000 1.013) 4.778 13.748 ( 1.802 0.000 -0.197) 1.813 13.794 ( 1.139 0.000 -0.084) 1.142 14.219 ( 5.817 0.000 -1.681) 6.055 14.304 ( 3.047 0.000 -1.264) 3.299 14.319 ( 0.231 0.000 -1.128) 1.152 14.444 ( 8.016 0.000 -2.834) 8.503 14.492 ( -1.326 0.000 -2.154) 2.529 14.543 ( -3.556 0.000 -0.469) 3.587 14.820 ( -5.697 0.000 2.149) 6.089 14.974 ( -0.314 0.000 0.270) 0.414 17.482 ( 0.498 0.000 0.598) 0.778 17.494 ( 1.405 0.000 0.047) 1.405 17.626 ( 1.188 0.000 2.362) 2.644 17.729 ( -1.892 0.000 1.747) 2.575 17.868 ( -4.391 0.000 3.406) 5.557 17.909 ( -7.032 0.000 3.096) 7.683 17.973 ( -5.597 0.000 0.703) 5.641 17.997 ( -1.870 0.000 -0.614) 1.969 18.360 ( 3.087 0.000 2.004) 3.680 18.438 ( 2.104 0.000 0.811) 2.255 18.602 ( 1.641 0.000 3.304) 3.689 18.602 ( -2.872 0.000 2.115) 3.567 18.743 ( -0.219 0.000 -1.205) 1.225 18.760 ( 0.149 0.000 -0.038) 0.154 18.845 ( 0.318 0.000 1.084) 1.130 18.889 ( -1.943 0.000 0.595) 2.032 19.491 ( -1.190 0.000 3.422) 3.623 19.782 ( -0.173 0.000 0.879) 0.896 19.887 ( -0.200 0.000 -3.413) 3.419 19.916 ( 2.053 0.000 -4.593) 5.031 19.938 ( 0.177 0.000 0.177) 0.250 19.962 ( 0.579 0.000 -1.113) 1.255 20.311 ( -0.601 0.000 0.044) 0.602 20.401 ( -0.280 0.000 -2.557) 2.572 20.520 ( -0.136 0.000 0.722) 0.735 20.537 ( -0.151 0.000 1.166) 1.176 20.678 ( 0.182 0.000 -0.143) 0.232 20.784 ( -0.368 0.000 -0.127) 0.389 20.847 ( 0.717 0.000 -0.431) 0.837 21.022 ( 0.187 0.000 -2.539) 2.546 21.157 ( 0.637 0.000 -3.560) 3.617 21.160 ( -0.012 0.000 -1.335) 1.336 24.550 ( -0.304 0.000 1.636) 1.664 24.570 ( 1.018 0.000 0.623) 1.193 24.633 ( 0.801 0.000 0.110) 0.808 24.636 ( -0.751 0.000 1.144) 1.368 24.962 ( -0.172 0.000 0.065) 0.184 25.026 ( -1.336 0.000 -1.075) 1.715 25.101 ( 2.447 0.000 0.270) 2.462 25.116 ( -0.122 0.000 -0.269) 0.295 28.446 ( 0.160 0.000 -0.696) 0.714 28.475 ( 0.468 0.000 -1.570) 1.639 28.499 ( -0.251 0.000 -0.033) 0.253 28.509 ( 0.927 0.000 -1.579) 1.831 28.567 ( -0.035 0.000 -0.942) 0.943 28.609 ( -0.916 0.000 -0.683) 1.143 28.647 ( 0.804 0.000 -0.947) 1.243 28.648 ( 0.086 0.000 -0.836) 0.840 35.346 ( -0.365 0.000 2.331) 2.359 35.382 ( -0.656 0.000 1.207) 1.374 35.557 ( -3.522 0.000 -2.816) 4.509 35.628 ( -3.541 0.000 -4.732) 5.911 36.287 ( -1.196 0.000 0.970) 1.539 36.394 ( 1.585 0.000 -2.997) 3.390 36.554 ( 1.692 0.000 1.603) 2.330 37.380 ( 8.363 0.000 -11.234) 14.005 37.604 ( -1.153 0.000 2.169) 2.457 37.781 ( -0.431 0.000 -1.981) 2.028 37.814 ( -0.066 0.000 -1.986) 1.987 38.000 ( -0.209 0.000 -1.540) 1.554 38.029 ( -0.334 0.000 -5.731) 5.740 38.130 ( 3.107 0.000 -7.263) 7.900 38.456 ( 1.320 0.000 -6.228) 6.367 38.460 ( -0.471 0.000 -1.872) 1.930 38.620 ( 0.520 0.000 3.000) 3.045 38.869 ( -1.363 0.000 -2.951) 3.251 39.008 ( -0.587 0.000 2.054) 2.136 39.049 ( 3.365 0.000 0.356) 3.383 39.291 ( 1.337 0.000 1.032) 1.689 39.393 ( -1.970 0.000 -0.294) 1.992 39.407 ( 2.594 0.000 0.040) 2.594 39.477 ( 4.608 0.000 -0.105) 4.609 39.674 ( -5.506 0.000 4.902) 7.371 39.876 ( 2.701 0.000 7.130) 7.625 39.921 ( -4.256 0.000 -2.552) 4.963 40.291 ( 3.635 0.000 -1.521) 3.940 40.292 ( -1.817 0.000 13.305) 13.428 40.743 ( -2.889 0.000 11.722) 12.073 40.760 ( -11.944 0.000 -7.414) 14.058 41.431 ( 11.180 0.000 -5.650) 12.527 ======================= Grid point 66 (35/66) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -7.380 0.000 5.727) 9.342 1.249 ( -10.205 0.000 7.355) 12.580 1.363 ( 1.676 0.000 12.312) 12.426 1.420 ( 7.265 0.000 11.950) 13.986 1.628 ( -2.008 0.000 -0.306) 2.031 1.738 ( 0.114 0.000 2.053) 2.056 1.792 ( 1.654 0.000 1.552) 2.269 1.933 ( -1.728 0.000 -2.381) 2.942 1.983 ( -2.003 0.000 5.864) 6.196 2.137 ( 7.096 0.000 -6.129) 9.376 2.159 ( -3.336 0.000 -4.013) 5.219 2.209 ( -1.521 0.000 4.937) 5.165 2.218 ( 1.538 0.000 -0.137) 1.544 2.345 ( 1.040 0.000 4.078) 4.209 2.377 ( -1.936 0.000 -0.419) 1.981 2.520 ( -1.709 0.000 -0.169) 1.717 2.542 ( -2.406 0.000 5.083) 5.624 2.597 ( -1.555 0.000 1.290) 2.020 2.663 ( 0.983 0.000 3.338) 3.479 2.871 ( -4.868 0.000 -2.556) 5.498 2.996 ( 3.229 0.000 -1.272) 3.471 3.047 ( 8.397 0.000 -2.724) 8.827 3.106 ( 2.676 0.000 1.232) 2.946 3.234 ( 5.009 0.000 -4.813) 6.947 3.330 ( -2.702 0.000 7.279) 7.765 3.596 ( -7.405 0.000 0.803) 7.449 3.611 ( 4.248 0.000 8.418) 9.429 3.813 ( -1.851 0.000 -0.588) 1.942 4.104 ( 3.783 0.000 6.029) 7.117 4.125 ( -2.679 0.000 8.871) 9.266 4.201 ( -2.827 0.000 -0.719) 2.917 4.362 ( 0.093 0.000 4.746) 4.747 4.384 ( -6.074 0.000 5.899) 8.467 4.457 ( -3.899 0.000 7.205) 8.192 4.532 ( 0.657 0.000 8.207) 8.233 4.601 ( 9.401 0.000 3.331) 9.974 4.652 ( -9.929 0.000 0.538) 9.943 4.764 ( 1.905 0.000 -0.098) 1.907 4.861 ( 6.667 0.000 11.071) 12.923 4.878 ( 0.323 0.000 5.949) 5.958 4.960 ( 1.319 0.000 -1.530) 2.020 4.974 ( 11.873 0.000 -4.455) 12.681 5.040 ( 3.708 0.000 6.547) 7.524 5.087 ( 8.263 0.000 1.934) 8.486 5.208 ( -4.223 0.000 6.950) 8.133 5.381 ( -0.752 0.000 -0.568) 0.943 5.428 ( 4.110 0.000 -2.441) 4.780 5.460 ( 3.221 0.000 3.270) 4.590 5.500 ( 0.170 0.000 8.137) 8.138 5.625 ( 3.262 0.000 2.276) 3.978 5.636 ( -1.262 0.000 9.385) 9.469 5.645 ( -4.545 0.000 4.049) 6.087 5.719 ( -2.985 0.000 -1.349) 3.275 5.790 ( -2.585 0.000 7.675) 8.099 5.937 ( 1.894 0.000 -3.409) 3.900 6.114 ( -2.577 0.000 4.208) 4.934 6.211 ( -6.723 0.000 -1.667) 6.927 6.231 ( 3.385 0.000 -1.155) 3.577 6.325 ( -12.138 0.000 -0.917) 12.173 6.346 ( 1.165 0.000 7.646) 7.734 6.478 ( -8.478 0.000 -2.625) 8.875 6.510 ( -1.727 0.000 1.419) 2.235 6.571 ( 9.490 0.000 6.549) 11.530 6.749 ( -0.580 0.000 4.936) 4.970 6.871 ( 0.025 0.000 0.264) 0.266 6.989 ( 3.334 0.000 0.485) 3.369 7.023 ( -3.425 0.000 5.456) 6.442 7.096 ( 4.097 0.000 -1.387) 4.326 7.254 ( -7.229 0.000 -4.277) 8.399 7.259 ( -6.075 0.000 1.029) 6.161 7.350 ( -5.930 0.000 -2.160) 6.311 7.355 ( -4.424 0.000 -13.119) 13.845 7.582 ( 2.093 0.000 -1.992) 2.890 7.582 ( 13.136 0.000 0.937) 13.169 7.669 ( 3.540 0.000 -5.909) 6.888 7.780 ( -7.396 0.000 4.914) 8.879 7.946 ( -11.101 0.000 3.617) 11.675 8.018 ( 0.430 0.000 -2.046) 2.091 8.115 ( 7.697 0.000 -4.022) 8.684 8.223 ( 0.579 0.000 3.119) 3.172 8.258 ( 3.918 0.000 -4.782) 6.182 8.269 ( 13.809 0.000 -5.267) 14.779 8.381 ( -5.773 0.000 -1.348) 5.928 8.519 ( 0.853 0.000 -7.865) 7.911 8.697 ( 6.430 0.000 -0.537) 6.453 8.710 ( -1.814 0.000 2.053) 2.740 8.755 ( -6.500 0.000 -2.116) 6.836 8.796 ( -1.510 0.000 -8.426) 8.561 8.882 ( 3.999 0.000 -3.813) 5.526 9.041 ( 0.670 0.000 -0.791) 1.037 9.060 ( 4.676 0.000 0.569) 4.711 9.076 ( -1.321 0.000 -2.171) 2.542 9.184 ( -0.597 0.000 -3.717) 3.764 9.279 ( -1.602 0.000 0.732) 1.762 9.327 ( 3.236 0.000 2.641) 4.176 9.452 ( -2.347 0.000 3.469) 4.188 9.472 ( -1.156 0.000 -2.853) 3.078 9.595 ( 2.837 0.000 -9.824) 10.225 9.680 ( 8.962 0.000 -3.339) 9.564 9.821 ( 2.433 0.000 -5.566) 6.075 9.955 ( -5.518 0.000 0.673) 5.559 10.025 ( -8.781 0.000 -3.969) 9.636 10.109 ( -2.558 0.000 -1.273) 2.858 10.122 ( -4.995 0.000 0.906) 5.076 11.457 ( -1.912 0.000 1.762) 2.600 11.481 ( 0.693 0.000 2.499) 2.593 11.694 ( 3.640 0.000 -2.093) 4.199 11.734 ( -2.066 0.000 -0.917) 2.261 11.894 ( 0.390 0.000 1.634) 1.680 11.918 ( -0.984 0.000 2.049) 2.273 11.985 ( -1.109 0.000 0.960) 1.466 12.077 ( 0.061 0.000 -0.441) 0.445 12.362 ( 0.160 0.000 6.295) 6.297 12.428 ( -0.925 0.000 4.700) 4.791 12.483 ( -0.395 0.000 4.318) 4.336 12.594 ( -0.879 0.000 4.503) 4.588 12.600 ( -0.246 0.000 0.145) 0.286 12.744 ( -0.883 0.000 -1.880) 2.077 12.782 ( 0.786 0.000 -3.224) 3.318 12.902 ( -1.687 0.000 3.049) 3.485 13.036 ( 2.614 0.000 -2.044) 3.318 13.057 ( -2.846 0.000 0.626) 2.914 13.090 ( -0.551 0.000 -2.880) 2.932 13.256 ( -1.967 0.000 -3.086) 3.660 13.595 ( -0.473 0.000 0.013) 0.473 13.665 ( -1.259 0.000 1.737) 2.145 13.753 ( -0.779 0.000 0.821) 1.132 13.775 ( -2.858 0.000 0.794) 2.967 14.283 ( -1.430 0.000 1.256) 1.903 14.342 ( 3.107 0.000 -0.650) 3.174 14.434 ( 6.289 0.000 -0.388) 6.301 14.444 ( -1.021 0.000 -0.300) 1.065 14.506 ( -5.095 0.000 -0.066) 5.095 14.544 ( 6.883 0.000 -8.336) 10.810 14.809 ( 5.373 0.000 -0.301) 5.381 14.966 ( -0.443 0.000 0.186) 0.481 17.475 ( -1.507 0.000 1.307) 1.995 17.492 ( -2.520 0.000 1.759) 3.074 17.652 ( -3.892 0.000 5.403) 6.659 17.669 ( 1.650 0.000 1.782) 2.429 17.796 ( -3.590 0.000 2.543) 4.400 17.811 ( -2.239 0.000 2.642) 3.463 17.888 ( -0.985 0.000 0.163) 0.999 17.965 ( -0.953 0.000 -2.570) 2.741 18.454 ( -0.883 0.000 0.831) 1.213 18.484 ( 7.097 0.000 0.984) 7.164 18.568 ( -2.706 0.000 0.732) 2.803 18.630 ( -0.359 0.000 2.670) 2.694 18.704 ( -0.683 0.000 1.816) 1.941 18.788 ( 1.559 0.000 2.093) 2.610 18.889 ( 2.498 0.000 0.975) 2.682 18.941 ( 4.727 0.000 -0.147) 4.729 19.486 ( -0.659 0.000 3.517) 3.578 19.782 ( -0.256 0.000 0.937) 0.971 19.876 ( 0.680 0.000 -3.547) 3.611 19.932 ( 1.282 0.000 -3.892) 4.097 19.937 ( -0.307 0.000 0.045) 0.310 19.966 ( 0.250 0.000 -1.851) 1.868 20.315 ( 0.885 0.000 -0.073) 0.888 20.388 ( 0.132 0.000 -1.845) 1.850 20.521 ( -0.150 0.000 0.788) 0.802 20.542 ( 0.096 0.000 0.920) 0.925 20.682 ( 0.220 0.000 -0.091) 0.238 20.779 ( 0.062 0.000 -0.301) 0.308 20.853 ( -0.095 0.000 -0.002) 0.095 21.003 ( -0.809 0.000 -1.635) 1.824 21.152 ( 0.533 0.000 -3.461) 3.502 21.162 ( 0.739 0.000 -1.509) 1.680 24.544 ( -0.602 0.000 0.891) 1.075 24.582 ( -0.336 0.000 0.644) 0.727 24.602 ( -2.419 0.000 0.711) 2.521 24.623 ( -1.527 0.000 -0.262) 1.550 24.972 ( 0.662 0.000 0.925) 1.138 25.008 ( 0.241 0.000 -0.617) 0.663 25.128 ( 1.268 0.000 -0.611) 1.408 25.140 ( 0.722 0.000 -0.036) 0.723 28.462 ( 1.610 0.000 -0.801) 1.798 28.472 ( 0.078 0.000 -1.744) 1.746 28.504 ( 0.652 0.000 -0.764) 1.004 28.537 ( 2.214 0.000 -0.784) 2.349 28.563 ( 0.336 0.000 -0.271) 0.432 28.582 ( -1.523 0.000 -0.848) 1.744 28.626 ( -1.838 0.000 -0.546) 1.918 28.649 ( 0.053 0.000 -1.398) 1.399 35.348 ( -0.645 0.000 2.927) 2.997 35.385 ( 0.533 0.000 0.303) 0.613 35.512 ( 1.897 0.000 -0.673) 2.013 35.684 ( 8.444 0.000 -6.710) 10.785 36.273 ( -0.449 0.000 1.096) 1.184 36.404 ( 0.407 0.000 -2.325) 2.360 36.593 ( 0.777 0.000 1.624) 1.800 37.421 ( 0.878 0.000 -13.383) 13.411 37.580 ( -1.620 0.000 1.674) 2.330 37.821 ( 1.453 0.000 -1.156) 1.857 37.861 ( 7.780 0.000 -3.817) 8.666 37.974 ( -1.138 0.000 -2.572) 2.813 38.005 ( 1.099 0.000 -4.866) 4.989 38.142 ( 0.663 0.000 -7.220) 7.251 38.431 ( -1.052 0.000 -2.905) 3.090 38.468 ( 1.897 0.000 -4.961) 5.311 38.645 ( 0.236 0.000 3.222) 3.231 38.843 ( 0.020 0.000 -2.500) 2.501 39.005 ( -0.198 0.000 0.614) 0.645 39.142 ( 5.214 0.000 -0.014) 5.214 39.273 ( -3.842 0.000 2.201) 4.428 39.333 ( -1.815 0.000 -1.363) 2.270 39.437 ( -0.366 0.000 -2.675) 2.700 39.585 ( 4.878 0.000 -1.117) 5.004 39.662 ( 1.575 0.000 5.076) 5.315 39.855 ( -0.610 0.000 0.508) 0.793 39.979 ( 2.927 0.000 8.674) 9.154 40.197 ( -9.852 0.000 -8.712) 13.151 40.282 ( -4.866 0.000 13.073) 13.949 40.618 ( 0.321 0.000 2.159) 2.183 40.728 ( -3.158 0.000 10.672) 11.130 41.537 ( 1.904 0.000 -8.423) 8.635 ======================= Grid point 67 (36/66) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -11.088 0.000 13.540) 17.501 1.150 ( -1.450 0.000 14.653) 14.725 1.503 ( 7.190 0.000 5.192) 8.868 1.603 ( 0.109 0.000 0.429) 0.442 1.645 ( 8.329 0.000 7.923) 11.496 1.792 ( 0.865 0.000 0.258) 0.903 1.857 ( 3.335 0.000 1.271) 3.569 1.873 ( -1.733 0.000 -1.845) 2.531 1.944 ( -3.822 0.000 5.113) 6.383 2.101 ( -4.389 0.000 -3.516) 5.624 2.133 ( -6.233 0.000 -5.680) 8.432 2.158 ( 1.513 0.000 -0.300) 1.542 2.260 ( 1.529 0.000 0.462) 1.597 2.320 ( 5.737 0.000 -2.919) 6.437 2.400 ( 0.640 0.000 0.230) 0.680 2.452 ( -1.274 0.000 0.283) 1.305 2.579 ( -0.035 0.000 4.029) 4.029 2.689 ( 0.788 0.000 2.468) 2.590 2.722 ( -10.025 0.000 0.256) 10.028 2.762 ( 10.684 0.000 3.784) 11.334 3.036 ( -0.909 0.000 0.999) 1.350 3.106 ( -0.669 0.000 -5.673) 5.712 3.207 ( 5.613 0.000 1.179) 5.735 3.277 ( 0.296 0.000 -1.963) 1.985 3.354 ( 3.381 0.000 4.714) 5.801 3.522 ( -2.050 0.000 5.926) 6.270 3.545 ( -11.040 0.000 1.797) 11.185 3.835 ( 2.390 0.000 3.328) 4.097 4.064 ( -6.084 0.000 9.313) 11.124 4.133 ( -1.140 0.000 2.809) 3.032 4.169 ( 0.336 0.000 1.022) 1.076 4.286 ( -4.372 0.000 2.617) 5.096 4.293 ( -8.983 0.000 6.377) 11.017 4.441 ( -0.762 0.000 5.965) 6.013 4.482 ( -6.374 0.000 9.439) 11.390 4.609 ( 3.284 0.000 4.871) 5.875 4.726 ( -0.251 0.000 3.870) 3.878 4.782 ( 0.659 0.000 0.042) 0.661 4.921 ( -1.041 0.000 4.238) 4.364 4.922 ( -4.993 0.000 6.877) 8.498 4.990 ( 2.697 0.000 1.520) 3.096 5.008 ( -2.587 0.000 3.424) 4.292 5.231 ( 2.370 0.000 0.571) 2.438 5.269 ( 7.552 0.000 8.407) 11.301 5.312 ( 4.914 0.000 1.064) 5.028 5.324 ( -0.884 0.000 -2.494) 2.646 5.391 ( -5.107 0.000 3.258) 6.058 5.445 ( -4.559 0.000 -1.477) 4.792 5.538 ( -1.045 0.000 0.060) 1.047 5.622 ( -1.039 0.000 6.040) 6.128 5.709 ( 6.299 0.000 9.422) 11.334 5.742 ( -0.893 0.000 2.870) 3.006 5.768 ( 2.712 0.000 9.373) 9.757 5.870 ( 10.054 0.000 7.397) 12.482 5.996 ( 2.449 0.000 2.755) 3.686 5.998 ( -2.368 0.000 3.047) 3.859 6.091 ( -2.742 0.000 3.660) 4.573 6.148 ( -8.849 0.000 -0.498) 8.863 6.170 ( -2.368 0.000 0.876) 2.525 6.398 ( -3.102 0.000 11.064) 11.490 6.404 ( 1.924 0.000 1.013) 2.174 6.586 ( 9.420 0.000 0.225) 9.423 6.727 ( -2.477 0.000 1.888) 3.115 6.829 ( 3.562 0.000 2.241) 4.209 6.899 ( 6.862 0.000 3.190) 7.567 6.907 ( -12.020 0.000 4.992) 13.015 7.023 ( 2.076 0.000 -6.975) 7.278 7.092 ( -4.206 0.000 -5.073) 6.589 7.105 ( -3.461 0.000 -6.270) 7.162 7.199 ( 1.283 0.000 -2.687) 2.978 7.238 ( -0.059 0.000 -3.138) 3.139 7.275 ( 5.056 0.000 -6.695) 8.390 7.567 ( -2.785 0.000 -8.749) 9.181 7.612 ( -6.896 0.000 9.404) 11.661 7.695 ( 3.836 0.000 -1.316) 4.055 7.781 ( -7.782 0.000 4.225) 8.854 7.857 ( 5.139 0.000 -0.788) 5.199 7.990 ( -2.958 0.000 -0.466) 2.995 8.136 ( -4.501 0.000 -10.355) 11.291 8.189 ( -5.320 0.000 1.264) 5.468 8.255 ( 3.400 0.000 -2.475) 4.205 8.435 ( 1.081 0.000 -7.354) 7.433 8.444 ( 11.046 0.000 -5.250) 12.230 8.448 ( 2.287 0.000 -7.319) 7.668 8.663 ( 2.929 0.000 -0.059) 2.929 8.665 ( -5.633 0.000 -10.238) 11.686 8.778 ( -2.053 0.000 1.630) 2.621 8.827 ( 5.662 0.000 2.900) 6.362 8.917 ( 0.621 0.000 -1.053) 1.222 8.969 ( -5.767 0.000 -0.166) 5.769 9.103 ( 1.454 0.000 -1.814) 2.325 9.152 ( 1.683 0.000 -2.361) 2.900 9.152 ( 3.831 0.000 1.066) 3.976 9.234 ( -3.457 0.000 -0.455) 3.487 9.352 ( -2.790 0.000 2.803) 3.955 9.451 ( 4.896 0.000 -1.259) 5.055 9.517 ( 2.850 0.000 -5.433) 6.135 9.599 ( 0.043 0.000 -8.620) 8.620 9.762 ( -1.880 0.000 -1.344) 2.311 9.823 ( 3.329 0.000 -2.519) 4.174 9.866 ( -1.981 0.000 -4.759) 5.155 9.946 ( 3.377 0.000 -4.013) 5.244 10.001 ( -4.623 0.000 0.583) 4.660 10.071 ( 1.568 0.000 -2.493) 2.945 11.433 ( -1.190 0.000 2.018) 2.343 11.499 ( 0.097 0.000 2.331) 2.333 11.692 ( -2.001 0.000 0.447) 2.050 11.760 ( 3.678 0.000 -3.771) 5.267 11.900 ( -1.253 0.000 2.836) 3.101 11.913 ( 0.405 0.000 0.813) 0.908 11.975 ( 0.174 0.000 -0.157) 0.234 12.082 ( 0.449 0.000 -0.235) 0.507 12.440 ( 3.958 0.000 7.087) 8.117 12.447 ( -0.188 0.000 6.762) 6.765 12.499 ( 0.209 0.000 3.769) 3.775 12.600 ( 0.075 0.000 2.842) 2.843 12.601 ( 0.455 0.000 -1.241) 1.321 12.718 ( -1.192 0.000 -2.854) 3.092 12.839 ( 5.676 0.000 -4.430) 7.201 12.903 ( 1.838 0.000 1.494) 2.369 13.019 ( -1.152 0.000 1.634) 1.999 13.054 ( -1.011 0.000 -1.661) 1.944 13.134 ( 5.875 0.000 -0.992) 5.958 13.148 ( -7.064 0.000 -1.556) 7.233 13.519 ( -5.743 0.000 2.740) 6.363 13.591 ( -5.468 0.000 2.320) 5.939 13.726 ( -2.111 0.000 -0.566) 2.186 13.743 ( -0.979 0.000 3.016) 3.170 14.247 ( -2.396 0.000 2.186) 3.243 14.260 ( -6.709 0.000 3.287) 7.471 14.367 ( -6.612 0.000 1.377) 6.754 14.530 ( 2.102 0.000 -3.086) 3.734 14.536 ( 5.845 0.000 -3.687) 6.910 14.570 ( -1.128 0.000 -4.845) 4.974 14.913 ( 3.280 0.000 -0.192) 3.285 14.970 ( 0.858 0.000 -1.002) 1.320 17.455 ( -0.745 0.000 1.795) 1.943 17.456 ( -0.866 0.000 1.150) 1.439 17.642 ( -4.047 0.000 4.189) 5.825 17.659 ( 1.380 0.000 4.053) 4.282 17.814 ( 1.798 0.000 1.633) 2.429 17.825 ( 4.999 0.000 -1.727) 5.289 17.944 ( 5.654 0.000 -0.823) 5.713 17.977 ( 4.032 0.000 -5.074) 6.482 18.417 ( -2.977 0.000 1.903) 3.533 18.479 ( -4.887 0.000 -0.482) 4.910 18.594 ( 2.985 0.000 -0.174) 2.990 18.614 ( -2.238 0.000 2.764) 3.557 18.766 ( 3.500 0.000 3.754) 5.133 18.810 ( -0.738 0.000 2.515) 2.621 18.912 ( -0.998 0.000 1.297) 1.636 19.000 ( 0.211 0.000 1.096) 1.116 19.494 ( -0.262 0.000 3.571) 3.580 19.781 ( -0.217 0.000 0.946) 0.971 19.882 ( 1.444 0.000 -4.170) 4.413 19.931 ( -0.254 0.000 0.140) 0.290 19.932 ( 0.350 0.000 -4.330) 4.344 19.957 ( -0.272 0.000 -1.017) 1.053 20.333 ( 0.678 0.000 -0.370) 0.772 20.394 ( 1.179 0.000 -1.667) 2.042 20.521 ( -0.180 0.000 0.780) 0.800 20.545 ( -0.261 0.000 0.828) 0.868 20.683 ( -0.173 0.000 0.072) 0.187 20.784 ( 0.725 0.000 -1.502) 1.668 20.845 ( -0.985 0.000 1.535) 1.824 20.992 ( 0.614 0.000 -1.529) 1.648 21.152 ( 0.891 0.000 -3.563) 3.673 21.170 ( 0.583 0.000 -1.335) 1.457 24.539 ( -0.459 0.000 0.846) 0.963 24.560 ( -1.461 0.000 0.198) 1.474 24.578 ( 0.410 0.000 0.703) 0.814 24.600 ( -0.264 0.000 -0.612) 0.666 24.981 ( -0.375 0.000 1.355) 1.406 25.025 ( 1.179 0.000 0.260) 1.207 25.124 ( -2.119 0.000 0.342) 2.146 25.146 ( 0.515 0.000 -0.788) 0.941 28.467 ( 0.080 0.000 -1.092) 1.094 28.477 ( -0.300 0.000 -0.862) 0.912 28.519 ( 1.491 0.000 -1.227) 1.931 28.546 ( -1.471 0.000 -1.428) 2.050 28.579 ( -1.630 0.000 -0.100) 1.633 28.581 ( 2.316 0.000 -0.498) 2.369 28.590 ( 1.527 0.000 -0.374) 1.572 28.641 ( -0.177 0.000 -1.705) 1.714 35.347 ( -0.729 0.000 3.012) 3.099 35.397 ( 0.497 0.000 -0.665) 0.830 35.568 ( 2.923 0.000 -2.368) 3.762 35.840 ( 9.219 0.000 -12.704) 15.696 36.280 ( 0.690 0.000 0.714) 0.993 36.396 ( -0.086 0.000 -2.233) 2.235 36.584 ( -2.493 0.000 2.661) 3.646 37.340 ( -2.369 0.000 -13.374) 13.583 37.573 ( 0.208 0.000 2.244) 2.254 37.847 ( 0.951 0.000 -1.529) 1.801 37.944 ( 3.100 0.000 -8.864) 9.391 37.954 ( 0.786 0.000 -2.191) 2.328 38.033 ( 0.496 0.000 -6.578) 6.597 38.109 ( 0.844 0.000 -4.484) 4.562 38.418 ( 1.429 0.000 -2.216) 2.637 38.480 ( 1.280 0.000 -4.594) 4.769 38.642 ( -1.848 0.000 2.286) 2.940 38.845 ( 1.066 0.000 -1.642) 1.958 39.008 ( -0.015 0.000 1.392) 1.392 39.208 ( -1.928 0.000 1.939) 2.734 39.244 ( 5.028 0.000 0.092) 5.029 39.321 ( -9.516 0.000 -7.252) 11.964 39.343 ( 2.402 0.000 -0.400) 2.435 39.557 ( -5.611 0.000 -5.498) 7.856 39.723 ( 1.462 0.000 4.920) 5.133 39.923 ( 4.705 0.000 6.339) 7.895 40.010 ( -4.066 0.000 5.642) 6.954 40.071 ( 1.990 0.000 -3.846) 4.330 40.239 ( -4.035 0.000 14.743) 15.286 40.721 ( 8.328 0.000 3.813) 9.159 40.722 ( -1.922 0.000 10.882) 11.050 41.447 ( -6.477 0.000 -8.748) 10.885 ======================= Grid point 68 (37/66) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -1.960 0.000 18.138) 18.244 1.301 ( 7.064 0.000 18.036) 19.370 1.552 ( -5.146 0.000 -2.588) 5.760 1.610 ( 0.035 0.000 -1.091) 1.091 1.737 ( -2.202 0.000 -0.124) 2.206 1.773 ( -0.733 0.000 2.598) 2.700 1.839 ( -5.750 0.000 2.110) 6.125 1.891 ( 2.331 0.000 0.039) 2.332 1.943 ( 2.969 0.000 2.567) 3.925 2.016 ( -2.992 0.000 -2.617) 3.975 2.059 ( 3.025 0.000 0.825) 3.135 2.207 ( 1.809 0.000 0.024) 1.810 2.230 ( -3.481 0.000 1.191) 3.679 2.333 ( -11.462 0.000 3.931) 12.117 2.418 ( 2.386 0.000 -1.134) 2.642 2.532 ( 9.443 0.000 1.069) 9.504 2.586 ( -1.935 0.000 6.012) 6.316 2.603 ( 4.592 0.000 1.871) 4.959 2.709 ( -0.955 0.000 1.447) 1.734 2.906 ( 1.916 0.000 -7.828) 8.059 3.008 ( -1.043 0.000 1.723) 2.014 3.040 ( -1.706 0.000 -0.246) 1.724 3.184 ( -8.622 0.000 -2.584) 9.000 3.238 ( -4.384 0.000 0.325) 4.396 3.387 ( -3.053 0.000 0.886) 3.179 3.392 ( -3.153 0.000 7.566) 8.197 3.645 ( 12.265 0.000 5.685) 13.518 3.848 ( -1.390 0.000 0.964) 1.691 4.009 ( -1.376 0.000 7.837) 7.957 4.047 ( -12.004 0.000 0.177) 12.005 4.192 ( 1.222 0.000 6.439) 6.554 4.220 ( 3.016 0.000 1.688) 3.457 4.309 ( 1.561 0.000 7.898) 8.050 4.437 ( -2.501 0.000 7.724) 8.119 4.453 ( 0.219 0.000 9.736) 9.739 4.641 ( -6.280 0.000 3.696) 7.287 4.661 ( -0.793 0.000 3.850) 3.930 4.770 ( -2.597 0.000 0.396) 2.627 4.843 ( -6.669 0.000 6.150) 9.072 4.886 ( -1.383 0.000 3.253) 3.535 4.994 ( -0.921 0.000 2.928) 3.070 5.048 ( -15.572 0.000 -0.351) 15.576 5.074 ( 4.795 0.000 -2.100) 5.235 5.134 ( -10.653 0.000 2.851) 11.028 5.272 ( -3.407 0.000 2.498) 4.225 5.342 ( -5.711 0.000 6.130) 8.378 5.393 ( -5.598 0.000 4.420) 7.133 5.422 ( 2.556 0.000 -1.450) 2.938 5.581 ( 6.941 0.000 2.786) 7.479 5.586 ( -4.309 0.000 12.424) 13.150 5.662 ( -3.732 0.000 7.015) 7.946 5.732 ( -6.694 0.000 -4.356) 7.987 5.908 ( 4.272 0.000 5.410) 6.893 5.944 ( -4.197 0.000 7.867) 8.917 6.044 ( -1.616 0.000 8.033) 8.194 6.069 ( -3.036 0.000 4.638) 5.543 6.097 ( 7.248 0.000 -3.417) 8.013 6.191 ( 10.160 0.000 -0.913) 10.201 6.335 ( -2.639 0.000 9.714) 10.067 6.352 ( 11.496 0.000 9.406) 14.854 6.483 ( 5.159 0.000 -1.634) 5.411 6.606 ( -8.249 0.000 -2.543) 8.632 6.661 ( -8.599 0.000 -12.034) 14.790 6.708 ( 0.429 0.000 -1.149) 1.227 6.825 ( 6.072 0.000 3.576) 7.046 6.931 ( -3.364 0.000 -7.249) 7.992 6.992 ( -6.087 0.000 -3.765) 7.157 7.127 ( -3.101 0.000 1.946) 3.661 7.169 ( 9.980 0.000 -4.015) 10.758 7.180 ( 8.240 0.000 5.615) 9.971 7.365 ( 7.373 0.000 -6.855) 10.067 7.443 ( 9.862 0.000 -2.337) 10.135 7.539 ( 3.776 0.000 -10.241) 10.914 7.597 ( -8.620 0.000 4.286) 9.627 7.601 ( 1.565 0.000 7.742) 7.899 7.775 ( -5.143 0.000 0.702) 5.190 7.830 ( 7.111 0.000 -3.235) 7.812 7.919 ( -1.446 0.000 0.444) 1.512 8.047 ( -6.333 0.000 -0.067) 6.333 8.085 ( -2.004 0.000 -2.275) 3.032 8.294 ( 1.253 0.000 -1.148) 1.699 8.357 ( -3.701 0.000 -3.374) 5.008 8.448 ( -8.969 0.000 -6.022) 10.803 8.542 ( 4.702 0.000 -6.636) 8.133 8.608 ( 4.350 0.000 -3.680) 5.697 8.733 ( -1.248 0.000 -0.001) 1.248 8.738 ( 2.040 0.000 4.429) 4.877 8.883 ( -1.253 0.000 0.797) 1.485 8.920 ( 0.744 0.000 -3.156) 3.243 8.942 ( 3.334 0.000 2.036) 3.907 9.095 ( 3.112 0.000 -5.092) 5.968 9.146 ( -4.493 0.000 -2.968) 5.385 9.223 ( 2.786 0.000 0.748) 2.885 9.232 ( 3.624 0.000 -1.057) 3.775 9.331 ( -2.100 0.000 -0.942) 2.301 9.436 ( -2.791 0.000 -6.330) 6.918 9.531 ( 1.279 0.000 -1.489) 1.962 9.541 ( -0.034 0.000 -5.129) 5.129 9.738 ( -7.369 0.000 -3.619) 8.210 9.762 ( 0.497 0.000 -4.106) 4.136 9.933 ( 7.770 0.000 -1.269) 7.873 10.015 ( 4.793 0.000 -0.169) 4.796 10.032 ( 5.437 0.000 -0.696) 5.481 10.175 ( 6.315 0.000 -1.611) 6.517 11.431 ( 0.016 0.000 2.422) 2.422 11.504 ( -0.675 0.000 2.190) 2.292 11.661 ( -1.304 0.000 0.689) 1.475 11.791 ( 1.094 0.000 -4.181) 4.322 11.886 ( -1.064 0.000 2.589) 2.799 11.924 ( 0.126 0.000 0.921) 0.929 11.985 ( 0.745 0.000 -0.950) 1.207 12.093 ( 0.540 0.000 0.210) 0.579 12.457 ( -5.362 0.000 8.219) 9.813 12.464 ( -0.913 0.000 6.568) 6.632 12.501 ( -2.394 0.000 5.192) 5.717 12.609 ( 0.668 0.000 -0.736) 0.994 12.665 ( -1.089 0.000 -0.794) 1.348 12.726 ( 7.838 0.000 -0.252) 7.842 12.915 ( 1.715 0.000 -4.101) 4.445 12.928 ( -3.984 0.000 2.651) 4.786 13.004 ( 3.677 0.000 -3.090) 4.803 13.012 ( -1.737 0.000 -0.330) 1.768 13.112 ( 5.655 0.000 -1.319) 5.807 13.199 ( -1.116 0.000 0.541) 1.240 13.441 ( -3.000 0.000 4.763) 5.629 13.540 ( 0.681 0.000 1.523) 1.669 13.703 ( 1.585 0.000 -2.126) 2.652 13.758 ( 1.470 0.000 1.524) 2.117 14.177 ( -1.767 0.000 1.279) 2.182 14.230 ( 0.851 0.000 0.392) 0.937 14.324 ( 2.788 0.000 -1.196) 3.034 14.437 ( -6.644 0.000 -2.696) 7.170 14.547 ( -1.905 0.000 -1.483) 2.414 14.586 ( 0.368 0.000 -2.051) 2.084 14.913 ( -3.256 0.000 1.207) 3.473 14.976 ( 0.136 0.000 -0.586) 0.601 17.463 ( 0.698 0.000 1.217) 1.403 17.464 ( 1.240 0.000 -0.097) 1.243 17.608 ( -0.917 0.000 3.570) 3.686 17.710 ( 2.031 0.000 1.883) 2.770 17.890 ( 4.268 0.000 1.421) 4.498 17.896 ( 1.529 0.000 0.088) 1.531 18.031 ( 1.132 0.000 -0.460) 1.222 18.041 ( 2.555 0.000 -4.641) 5.298 18.380 ( -4.772 0.000 1.107) 4.899 18.390 ( 0.584 0.000 1.952) 2.037 18.581 ( -1.581 0.000 3.244) 3.609 18.630 ( 0.800 0.000 0.211) 0.827 18.778 ( -3.576 0.000 0.874) 3.681 18.783 ( -2.152 0.000 0.945) 2.350 18.872 ( -2.809 0.000 1.231) 3.067 18.962 ( -4.029 0.000 2.213) 4.597 19.498 ( -0.874 0.000 3.466) 3.574 19.782 ( -0.134 0.000 0.890) 0.900 19.896 ( 1.899 0.000 -4.810) 5.171 19.910 ( -0.518 0.000 -3.893) 3.928 19.932 ( 0.248 0.000 0.280) 0.374 19.956 ( 0.400 0.000 -0.581) 0.706 20.330 ( -0.824 0.000 -0.247) 0.860 20.408 ( 0.789 0.000 -2.453) 2.577 20.521 ( -0.177 0.000 0.722) 0.743 20.540 ( -0.541 0.000 1.097) 1.223 20.679 ( -0.197 0.000 0.010) 0.197 20.790 ( 0.344 0.000 -1.655) 1.690 20.837 ( -0.172 0.000 1.415) 1.425 21.011 ( 1.736 0.000 -2.389) 2.953 21.156 ( 0.981 0.000 -3.660) 3.789 21.169 ( -0.161 0.000 -1.203) 1.214 24.541 ( 0.236 0.000 1.697) 1.714 24.550 ( 0.428 0.000 0.285) 0.514 24.608 ( 1.211 0.000 -0.374) 1.268 24.614 ( 2.045 0.000 1.012) 2.282 24.973 ( -0.737 0.000 0.652) 0.984 25.042 ( 0.209 0.000 0.028) 0.211 25.083 ( -1.327 0.000 0.634) 1.471 25.135 ( -1.161 0.000 -0.644) 1.328 28.458 ( -0.885 0.000 -0.751) 1.160 28.468 ( 0.486 0.000 -0.844) 0.974 28.516 ( -0.661 0.000 -2.114) 2.215 28.517 ( -1.326 0.000 -0.129) 1.332 28.565 ( 0.652 0.000 -1.081) 1.262 28.618 ( 1.017 0.000 -0.122) 1.024 28.630 ( 1.919 0.000 -0.735) 2.055 28.632 ( 0.365 0.000 -1.647) 1.687 35.345 ( -0.576 0.000 2.582) 2.645 35.394 ( -0.572 0.000 0.071) 0.577 35.584 ( 0.105 0.000 -2.923) 2.925 35.836 ( -5.413 0.000 -14.473) 15.452 36.296 ( 0.274 0.000 0.425) 0.505 36.383 ( 0.331 0.000 -2.975) 2.994 36.543 ( -1.837 0.000 2.809) 3.356 37.282 ( 3.508 0.000 -10.276) 10.859 37.597 ( 0.683 0.000 2.729) 2.813 37.835 ( -0.775 0.000 -2.560) 2.674 37.873 ( -5.403 0.000 -7.076) 8.903 37.986 ( 2.082 0.000 -0.910) 2.272 38.028 ( 2.599 0.000 -4.399) 5.109 38.116 ( 1.325 0.000 -7.454) 7.571 38.454 ( 1.836 0.000 -1.199) 2.192 38.472 ( 0.198 0.000 -6.246) 6.249 38.613 ( -1.233 0.000 2.420) 2.716 38.875 ( 2.199 0.000 -1.562) 2.697 39.011 ( -0.721 0.000 3.081) 3.164 39.090 ( -8.304 0.000 -2.715) 8.736 39.231 ( 3.062 0.000 0.943) 3.204 39.338 ( 4.417 0.000 0.172) 4.421 39.394 ( 1.865 0.000 0.380) 1.904 39.454 ( -1.824 0.000 -3.052) 3.555 39.746 ( -1.629 0.000 5.400) 5.641 39.893 ( -7.311 0.000 3.937) 8.304 39.990 ( -1.024 0.000 0.891) 1.357 40.167 ( 7.354 0.000 -0.297) 7.360 40.257 ( -1.093 0.000 14.333) 14.375 40.738 ( -1.686 0.000 11.935) 12.053 40.915 ( 5.183 0.000 -2.920) 5.949 41.288 ( -1.347 0.000 -5.756) 5.911 ======================= Grid point 69 (38/66) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 2.738 6.219 9.198) 11.436 1.310 ( -8.732 -2.374 4.366) 10.047 1.405 ( -4.180 2.407 9.106) 10.305 1.489 ( -7.744 -1.648 2.624) 8.341 1.653 ( -1.494 -0.635 3.672) 4.015 1.765 ( -2.367 2.098 0.670) 3.233 1.834 ( -5.611 -2.967 3.809) 7.402 1.890 ( 2.186 -0.301 3.235) 3.916 1.985 ( -0.410 2.282 -0.813) 2.457 2.005 ( 2.763 -3.232 3.469) 5.487 2.065 ( 4.066 -0.638 -0.893) 4.212 2.102 ( -0.249 -4.867 -1.504) 5.100 2.245 ( -0.378 0.133 9.799) 9.807 2.331 ( 0.503 5.359 2.115) 5.783 2.479 ( 2.788 2.391 -0.067) 3.674 2.511 ( -1.997 -5.090 0.719) 5.515 2.558 ( -3.554 -3.571 0.971) 5.131 2.652 ( -1.220 -1.429 1.657) 2.505 2.724 ( -4.842 -0.746 -1.277) 5.062 2.771 ( 6.864 -5.747 2.517) 9.299 2.866 ( 1.994 -5.349 -0.257) 5.714 2.987 ( -3.609 -1.665 -0.702) 4.036 3.096 ( -2.925 2.519 -3.259) 5.052 3.217 ( 0.709 1.626 -4.429) 4.771 3.517 ( -0.087 7.855 6.116) 9.955 3.559 ( 3.020 8.027 1.786) 8.760 3.875 ( -1.815 5.097 1.938) 5.747 3.923 ( -0.128 7.068 -2.857) 7.624 3.988 ( 0.933 7.651 5.919) 9.718 4.189 ( 0.419 6.084 6.992) 9.278 4.226 ( 4.207 -2.351 6.537) 8.121 4.322 ( -0.657 0.698 1.892) 2.121 4.337 ( 4.337 -3.034 4.103) 6.697 4.460 ( -4.361 1.221 6.554) 7.967 4.489 ( 1.291 1.201 8.289) 8.474 4.534 ( -3.495 0.327 6.176) 7.104 4.607 ( -1.660 -0.586 2.999) 3.478 4.731 ( 3.284 -0.372 2.904) 4.400 4.761 ( -1.975 -1.084 1.432) 2.669 4.809 ( 0.013 -5.373 -1.631) 5.615 4.849 ( -0.724 -6.674 1.193) 6.818 5.001 ( -0.136 1.090 5.145) 5.261 5.033 ( 0.260 8.571 7.720) 11.537 5.139 ( -2.431 3.467 2.235) 4.788 5.242 ( -3.620 -0.496 7.144) 8.024 5.321 ( -2.974 0.666 7.245) 7.860 5.390 ( 0.251 -0.671 2.578) 2.676 5.477 ( -0.811 5.852 0.758) 5.956 5.481 ( 1.772 -4.941 3.130) 6.111 5.581 ( -6.741 -3.288 2.056) 7.777 5.621 ( 0.117 -4.100 2.872) 5.007 5.690 ( -2.226 -1.191 2.163) 3.324 5.784 ( -4.283 -0.818 5.213) 6.796 5.883 ( -8.381 1.848 -1.447) 8.703 5.991 ( -1.497 3.716 -2.139) 4.541 6.168 ( 2.824 3.419 13.438) 14.151 6.215 ( -2.107 0.110 0.228) 2.122 6.249 ( -4.130 0.217 4.958) 6.457 6.358 ( 5.012 3.210 -0.498) 5.973 6.437 ( -4.792 -2.803 -8.505) 10.156 6.519 ( 0.558 1.415 -2.338) 2.789 6.575 ( -3.091 0.561 0.167) 3.145 6.617 ( 5.377 -1.044 3.879) 6.711 6.717 ( -4.127 -0.551 -1.362) 4.381 6.848 ( 1.933 2.553 3.985) 5.112 6.906 ( -1.924 1.782 -0.607) 2.692 7.029 ( 0.149 -3.053 -2.679) 4.064 7.110 ( 2.553 3.311 4.224) 5.943 7.214 ( -2.445 1.109 -3.293) 4.248 7.396 ( 4.967 2.182 -3.823) 6.637 7.411 ( -0.738 -0.976 -0.917) 1.529 7.509 ( -1.508 4.662 -1.208) 5.046 7.571 ( 0.765 4.332 -2.624) 5.123 7.606 ( 0.686 -3.776 -5.684) 6.858 7.663 ( 2.012 8.309 1.118) 8.622 7.897 ( 5.780 1.940 2.572) 6.617 7.958 ( 9.876 2.927 -5.031) 11.464 8.017 ( 2.618 6.976 -4.809) 8.869 8.042 ( 5.049 -0.576 3.757) 6.320 8.130 ( -4.014 -3.210 -1.056) 5.247 8.219 ( 0.811 5.800 -2.797) 6.490 8.320 ( -2.123 4.855 0.620) 5.335 8.398 ( -3.267 -2.866 -2.259) 4.898 8.473 ( 1.247 1.326 6.580) 6.827 8.631 ( 0.826 -4.268 -1.825) 4.715 8.689 ( 0.147 -2.754 -2.057) 3.441 8.734 ( 0.657 -3.717 -2.790) 4.694 8.776 ( 2.124 -3.791 -2.625) 5.077 8.913 ( -1.761 -5.385 -5.347) 7.791 8.961 ( -0.360 -1.790 -3.660) 4.090 9.077 ( -2.510 1.500 -3.196) 4.332 9.137 ( -2.260 -3.887 -0.109) 4.498 9.183 ( 3.127 3.092 -4.181) 6.068 9.264 ( -1.088 -1.727 0.269) 2.059 9.332 ( 4.988 -1.446 0.453) 5.213 9.343 ( 0.592 0.616 -4.072) 4.161 9.474 ( -0.731 -2.655 -1.244) 3.022 9.536 ( 3.494 -4.220 -5.351) 7.658 9.557 ( -3.666 -3.363 -0.865) 5.049 9.717 ( 1.936 -4.400 -4.272) 6.431 10.026 ( 0.097 -0.437 1.133) 1.218 10.090 ( 0.907 -1.801 1.116) 2.305 10.116 ( 2.722 1.644 -2.062) 3.790 10.197 ( -0.935 -1.171 -1.794) 2.337 11.443 ( 0.500 -0.484 2.500) 2.595 11.470 ( -1.467 -1.323 1.943) 2.771 11.633 ( 1.042 -1.214 -1.171) 1.983 11.702 ( -0.421 -4.338 -2.045) 4.814 11.890 ( -0.718 0.943 3.065) 3.286 11.974 ( -0.275 2.350 -0.013) 2.366 12.016 ( -1.729 0.696 1.963) 2.707 12.080 ( 0.010 -0.350 0.340) 0.488 12.402 ( -3.004 2.165 4.258) 5.643 12.461 ( -3.019 0.399 4.164) 5.159 12.503 ( -1.376 1.864 4.987) 5.499 12.583 ( -1.702 -1.297 3.665) 4.244 12.625 ( -2.476 0.241 1.006) 2.684 12.736 ( -0.831 -3.098 -1.639) 3.602 12.839 ( -4.327 0.070 0.025) 4.328 12.900 ( -1.884 -1.027 3.381) 4.004 13.000 ( 1.239 -0.636 -2.709) 3.045 13.048 ( 0.256 -1.790 -1.763) 2.525 13.177 ( -0.569 2.340 -3.210) 4.013 13.240 ( 3.890 -0.452 -4.068) 5.646 13.538 ( 6.742 3.038 1.352) 7.517 13.618 ( 4.115 0.304 1.108) 4.272 13.748 ( 2.387 0.015 -0.013) 2.387 13.783 ( 1.570 -0.970 0.046) 1.845 14.240 ( 4.271 1.619 -1.398) 4.776 14.300 ( -2.449 -0.914 -0.111) 2.616 14.316 ( 7.488 0.531 -2.224) 7.829 14.409 ( 5.842 -2.207 -2.140) 6.601 14.493 ( -0.034 0.983 -2.128) 2.344 14.568 ( -1.869 0.294 -2.434) 3.083 14.824 ( -5.460 0.794 3.026) 6.293 14.941 ( -1.377 -2.743 1.463) 3.400 17.474 ( 0.354 -0.287 0.603) 0.756 17.491 ( 1.168 -0.461 0.114) 1.261 17.645 ( 0.827 1.423 2.454) 2.955 17.712 ( -1.419 -1.294 2.172) 2.899 17.859 ( -4.220 -0.569 3.232) 5.346 17.882 ( -5.859 -1.655 3.319) 6.935 17.989 ( -4.670 0.996 0.659) 4.821 18.004 ( -2.737 0.374 -0.016) 2.763 18.368 ( 3.267 0.797 2.145) 3.989 18.429 ( 3.198 -0.945 0.982) 3.477 18.604 ( -2.056 0.133 2.236) 3.041 18.607 ( -0.267 0.253 3.061) 3.083 18.747 ( -0.036 0.419 -0.672) 0.793 18.762 ( 0.402 0.069 -0.301) 0.508 18.856 ( -0.584 0.808 0.905) 1.347 18.884 ( -2.332 -0.366 0.921) 2.534 19.570 ( -0.590 6.372 0.641) 6.432 19.805 ( -0.230 1.710 -0.085) 1.727 19.859 ( 0.800 -3.196 -5.316) 6.254 19.889 ( 1.212 -1.658 -2.085) 2.927 19.946 ( 0.139 0.466 -0.193) 0.523 19.959 ( 0.328 -0.162 -0.555) 0.665 20.301 ( -0.749 -0.394 -0.182) 0.866 20.362 ( -0.377 -2.576 -1.726) 3.124 20.542 ( -0.071 1.621 1.052) 1.934 20.568 ( 0.076 1.590 -0.005) 1.592 20.682 ( 0.096 0.643 -0.050) 0.652 20.765 ( -0.129 -1.651 -0.711) 1.802 20.871 ( 0.493 2.049 -0.602) 2.192 20.992 ( 0.218 -2.368 -2.467) 3.427 21.160 ( 0.428 0.521 -2.058) 2.166 21.171 ( 0.359 0.452 -2.625) 2.688 24.552 ( -0.130 0.228 1.563) 1.585 24.572 ( 0.686 -0.130 0.703) 0.991 24.627 ( 0.164 0.039 0.747) 0.766 24.641 ( 0.241 0.018 0.403) 0.470 24.967 ( -0.151 0.498 0.078) 0.526 25.010 ( -0.660 -1.158 -0.564) 1.447 25.108 ( 1.408 0.400 0.044) 1.464 25.116 ( -0.121 -0.006 -0.237) 0.266 28.440 ( 0.243 -0.041 -0.566) 0.617 28.471 ( 0.871 -0.831 -0.485) 1.298 28.504 ( -0.331 0.717 -1.394) 1.602 28.517 ( 0.775 0.303 -1.282) 1.529 28.578 ( 0.033 0.966 -0.894) 1.317 28.612 ( -0.679 0.243 -0.918) 1.167 28.631 ( 0.041 -0.876 -0.767) 1.165 28.647 ( 0.483 -0.488 -1.081) 1.281 35.355 ( -0.400 0.679 2.003) 2.152 35.382 ( -0.591 -0.146 1.047) 1.211 35.558 ( -3.099 0.253 -2.498) 3.989 35.610 ( -3.096 -1.410 -3.993) 5.246 36.279 ( -0.793 -0.137 0.806) 1.139 36.344 ( -0.692 -2.497 1.561) 3.025 36.719 ( 4.320 11.519 -4.091) 12.964 37.258 ( 8.437 -9.495 -9.891) 16.099 37.625 ( -1.492 1.664 1.696) 2.805 37.739 ( -1.520 -2.759 -0.660) 3.218 37.874 ( 0.514 3.856 -2.786) 4.785 38.027 ( -0.932 -1.211 -6.143) 6.331 38.076 ( 0.002 5.456 -2.541) 6.018 38.148 ( 3.378 2.727 -4.835) 6.499 38.394 ( -0.173 -4.138 -2.288) 4.732 38.425 ( 1.494 -3.313 -5.398) 6.507 38.673 ( -0.065 3.769 1.433) 4.032 38.842 ( -1.118 -2.481 -2.356) 3.599 39.005 ( 0.074 -0.016 1.720) 1.721 39.038 ( 2.140 -0.880 0.328) 2.337 39.335 ( 1.765 3.262 0.591) 3.756 39.402 ( -1.859 0.685 -0.532) 2.051 39.417 ( 2.296 0.542 0.055) 2.360 39.462 ( 3.985 -1.353 -0.099) 4.209 39.699 ( -3.804 2.017 5.093) 6.669 39.814 ( 1.127 -2.886 5.967) 6.724 40.021 ( -4.365 6.112 -0.067) 7.511 40.235 ( 0.548 -1.308 3.901) 4.151 40.409 ( -0.463 5.487 5.174) 7.556 40.602 ( -9.010 -7.684 2.570) 12.117 40.812 ( -2.156 2.372 3.055) 4.428 41.272 ( 9.149 -12.655 -2.293) 15.783 ======================= Grid point 70 (39/66) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -4.706 -0.608 4.925) 6.839 1.318 ( -6.868 1.462 4.609) 8.399 1.400 ( 3.177 3.695 11.463) 12.456 1.488 ( 6.908 4.045 8.356) 11.572 1.605 ( -2.301 -0.125 4.798) 5.323 1.719 ( -0.848 0.511 1.696) 1.964 1.822 ( 0.468 -3.020 3.320) 4.513 1.920 ( -4.210 3.040 1.414) 5.382 1.956 ( 1.564 -3.301 -0.035) 3.652 2.034 ( -0.473 -4.419 -3.648) 5.750 2.055 ( -1.783 -7.355 3.653) 8.403 2.146 ( 1.870 -1.867 -1.084) 2.856 2.262 ( -1.096 -0.624 0.865) 1.529 2.336 ( -2.700 -1.092 -2.508) 3.844 2.412 ( -3.359 0.572 0.004) 3.407 2.505 ( -5.805 -0.331 4.219) 7.183 2.562 ( 9.022 3.618 3.016) 10.177 2.648 ( -1.681 2.355 2.395) 3.756 2.663 ( 1.184 1.179 2.226) 2.783 2.856 ( -2.030 -0.880 -1.209) 2.522 2.977 ( 8.022 -4.721 -0.365) 9.315 2.986 ( 2.128 -6.738 1.407) 7.205 3.047 ( 2.003 1.613 -2.532) 3.609 3.231 ( 1.659 -2.066 -4.033) 4.826 3.497 ( -1.708 11.582 5.031) 12.743 3.689 ( 2.785 6.224 3.140) 7.506 3.778 ( -3.582 10.943 3.203) 11.951 3.876 ( -3.679 4.765 -0.584) 6.048 4.047 ( -1.488 -0.504 5.329) 5.556 4.206 ( -1.240 0.781 -0.188) 1.478 4.290 ( -1.604 5.630 10.676) 12.175 4.318 ( -0.764 -2.355 3.327) 4.147 4.361 ( -2.250 -1.400 2.840) 3.884 4.428 ( -1.535 -1.387 7.162) 7.455 4.537 ( 3.250 -1.271 3.793) 5.154 4.552 ( -0.825 2.275 6.528) 6.962 4.641 ( -2.018 -1.822 2.229) 3.516 4.763 ( 0.908 -1.433 3.442) 3.837 4.850 ( 5.149 -2.775 4.228) 7.218 4.898 ( 10.326 1.254 0.966) 10.447 4.942 ( 5.431 0.002 2.412) 5.942 5.032 ( 7.027 0.043 -2.854) 7.585 5.076 ( -0.053 4.956 7.330) 8.849 5.157 ( 0.660 1.816 8.573) 8.788 5.181 ( 0.197 4.317 2.651) 5.069 5.307 ( -3.239 -1.501 1.642) 3.929 5.441 ( 2.578 -2.954 3.650) 5.357 5.487 ( -0.245 1.833 -2.449) 3.068 5.509 ( 0.106 -0.494 8.814) 8.829 5.577 ( 4.833 -1.249 4.462) 6.696 5.602 ( -3.352 -1.582 5.075) 6.284 5.666 ( 1.380 -1.282 3.142) 3.663 5.721 ( -3.523 2.926 1.741) 4.899 5.806 ( 1.463 -5.118 4.249) 6.811 5.960 ( -1.197 4.521 -2.419) 5.265 6.144 ( -9.283 -2.102 1.667) 9.663 6.195 ( -2.411 3.110 4.696) 6.127 6.298 ( -0.255 2.273 -3.712) 4.360 6.345 ( 3.870 0.233 10.727) 11.406 6.410 ( -5.223 3.466 0.114) 6.270 6.451 ( 0.512 3.303 3.056) 4.529 6.491 ( -5.003 0.829 -0.359) 5.084 6.653 ( 1.824 2.713 2.253) 3.970 6.700 ( 1.622 -3.558 3.228) 5.071 6.831 ( -2.932 -5.881 3.382) 7.391 6.892 ( -0.201 1.500 1.041) 1.836 7.042 ( -0.861 -3.657 -0.569) 3.800 7.123 ( -3.055 -0.835 5.234) 6.118 7.165 ( 0.412 3.623 -5.832) 6.877 7.260 ( -8.731 -2.434 -4.724) 10.221 7.438 ( -2.716 4.195 -4.077) 6.449 7.468 ( -3.157 2.316 -3.668) 5.365 7.621 ( 2.022 3.466 -4.728) 6.201 7.661 ( 11.866 6.552 -1.433) 13.630 7.710 ( -1.818 7.447 -0.483) 7.681 7.848 ( -7.440 3.815 2.259) 8.661 7.972 ( -4.927 -1.907 -1.100) 5.397 8.079 ( 4.496 5.291 -4.152) 8.090 8.153 ( 6.547 -2.176 -3.708) 7.833 8.177 ( 1.230 2.050 3.585) 4.309 8.233 ( 1.648 3.309 -4.015) 5.458 8.309 ( 0.146 -0.231 -3.958) 3.967 8.374 ( 5.943 -3.099 -6.135) 9.086 8.462 ( -5.064 -1.905 -4.267) 6.891 8.638 ( 2.972 -4.717 -0.282) 5.582 8.652 ( -4.017 0.915 -1.822) 4.505 8.741 ( 1.771 -3.422 1.610) 4.176 8.855 ( 0.725 -6.513 3.873) 7.612 8.890 ( 1.725 0.220 -6.167) 6.407 8.904 ( 1.473 1.489 -6.415) 6.748 9.047 ( 1.432 -1.733 -3.340) 4.026 9.132 ( -2.385 -0.710 0.014) 2.488 9.214 ( 2.743 3.443 -5.406) 6.972 9.259 ( 4.772 -0.692 -1.075) 4.940 9.326 ( -2.772 -0.382 0.491) 2.841 9.396 ( -4.724 -3.837 2.679) 6.649 9.463 ( 4.702 -0.480 -0.556) 4.759 9.547 ( 3.311 -3.333 -7.558) 8.899 9.615 ( 7.368 -4.704 -3.082) 9.269 9.765 ( 3.658 -4.917 -4.689) 7.716 9.933 ( -7.716 -0.668 0.525) 7.763 9.994 ( -8.871 -2.119 -2.898) 9.569 10.112 ( -2.164 0.474 -2.039) 3.010 10.129 ( -5.392 0.047 -0.731) 5.442 11.448 ( -1.446 -0.616 1.983) 2.530 11.466 ( 0.531 -1.047 2.502) 2.764 11.665 ( 2.683 -1.969 -2.551) 4.194 11.680 ( -1.015 -3.233 -1.125) 3.571 11.902 ( 0.764 1.099 2.552) 2.882 11.962 ( -1.510 3.090 1.664) 3.821 11.991 ( -0.939 -0.355 1.888) 2.139 12.080 ( -0.101 -0.422 0.496) 0.659 12.386 ( 0.325 2.280 3.489) 4.180 12.446 ( -0.200 1.295 3.662) 3.889 12.505 ( -0.297 1.542 3.742) 4.058 12.576 ( -0.882 -0.508 2.875) 3.050 12.596 ( -0.208 -0.914 3.558) 3.679 12.698 ( -1.248 -3.456 -1.110) 3.839 12.794 ( 0.398 1.021 -2.954) 3.150 12.878 ( -1.166 -1.745 1.348) 2.495 13.026 ( 2.497 -0.640 -2.194) 3.385 13.049 ( 0.734 -0.925 -0.611) 1.329 13.118 ( -3.838 2.244 -1.735) 4.773 13.230 ( -2.919 -2.122 -2.979) 4.680 13.611 ( -1.130 1.270 1.281) 2.129 13.661 ( -1.483 -0.449 2.110) 2.618 13.768 ( -0.636 0.931 0.495) 1.231 13.779 ( -1.735 0.244 1.089) 2.063 14.291 ( -0.726 1.324 0.806) 1.712 14.364 ( 5.795 1.251 -2.663) 6.499 14.408 ( -1.058 -2.211 -0.484) 2.499 14.438 ( 3.900 -0.188 -0.705) 3.968 14.527 ( -1.485 1.548 -1.570) 2.658 14.559 ( 3.332 0.549 -5.983) 6.870 14.802 ( 4.285 -0.031 0.875) 4.373 14.922 ( -0.610 -3.489 1.502) 3.847 17.466 ( -1.366 -0.424 1.283) 1.921 17.482 ( -2.409 -0.771 1.585) 2.985 17.660 ( -1.931 0.859 4.597) 5.060 17.682 ( -0.385 0.545 3.077) 3.148 17.791 ( -2.277 -0.063 2.327) 3.256 17.814 ( -1.438 -0.232 2.218) 2.653 17.895 ( -2.477 0.868 -0.002) 2.625 17.955 ( -1.554 -0.919 -1.850) 2.585 18.454 ( 0.521 0.442 0.777) 1.034 18.492 ( 4.541 0.059 0.099) 4.542 18.566 ( -2.426 0.077 1.485) 2.846 18.606 ( -0.658 -1.488 2.708) 3.159 18.729 ( -0.167 1.645 2.323) 2.851 18.785 ( 1.172 -0.426 2.408) 2.712 18.896 ( 2.918 0.632 0.975) 3.141 18.931 ( 4.428 -0.731 0.425) 4.508 19.565 ( -0.149 6.314 0.837) 6.371 19.799 ( -0.255 0.848 -0.138) 0.896 19.852 ( 0.718 -1.998 -4.022) 4.548 19.909 ( 1.519 -1.991 -3.466) 4.276 19.944 ( -0.248 0.461 -0.083) 0.531 19.960 ( 0.029 -0.283 -0.792) 0.841 20.302 ( 0.880 -0.558 -0.103) 1.047 20.354 ( 0.357 -2.281 -1.192) 2.598 20.544 ( -0.172 1.671 0.833) 1.875 20.569 ( -0.020 1.453 -0.004) 1.453 20.686 ( 0.228 0.578 0.021) 0.622 20.763 ( 0.221 -1.527 -0.776) 1.727 20.871 ( -0.342 1.594 -0.086) 1.632 20.975 ( -0.722 -2.184 -1.670) 2.842 21.161 ( 0.562 0.658 -2.381) 2.534 21.170 ( 0.667 0.479 -2.281) 2.425 24.547 ( -0.600 0.341 0.946) 1.171 24.576 ( -0.712 -0.630 0.698) 1.180 24.607 ( -1.863 0.568 0.408) 1.990 24.626 ( -1.663 0.047 -0.211) 1.677 24.977 ( 0.672 0.427 0.816) 1.140 25.003 ( 0.428 -0.436 -0.306) 0.683 25.125 ( 0.955 -0.109 -0.352) 1.023 25.136 ( 0.761 -0.372 -0.136) 0.858 28.461 ( 1.950 0.305 -0.814) 2.135 28.491 ( -0.402 0.788 -1.195) 1.487 28.497 ( 1.691 -0.288 -1.045) 2.009 28.532 ( 1.073 -0.371 -1.011) 1.520 28.571 ( -0.314 0.443 -0.383) 0.665 28.591 ( -0.746 0.844 -0.940) 1.467 28.614 ( -1.483 -0.908 -0.691) 1.871 28.642 ( -0.171 -0.695 -1.280) 1.467 35.354 ( -0.610 0.498 2.586) 2.703 35.379 ( 0.017 -0.455 0.853) 0.966 35.537 ( 3.143 2.106 -1.625) 4.118 35.658 ( 7.526 -2.214 -5.672) 9.681 36.273 ( -0.084 0.330 1.242) 1.288 36.350 ( 0.457 -2.877 1.511) 3.281 36.757 ( 0.599 11.967 -4.368) 12.754 37.322 ( 1.914 -8.597 -13.388) 16.026 37.599 ( -1.329 1.621 1.508) 2.582 37.740 ( 1.645 -4.642 -0.571) 4.958 37.908 ( 3.810 2.299 -2.607) 5.157 38.000 ( 1.055 -0.713 -4.482) 4.659 38.052 ( -0.910 5.565 -2.823) 6.306 38.168 ( 0.535 2.806 -5.462) 6.164 38.372 ( -0.657 -3.876 -2.629) 4.729 38.443 ( 2.205 -2.889 -5.182) 6.329 38.680 ( -0.150 2.724 2.011) 3.389 38.813 ( -0.479 -2.410 -1.957) 3.142 39.022 ( 1.175 1.477 0.781) 2.043 39.121 ( 5.117 -1.819 0.315) 5.440 39.312 ( -4.200 2.565 0.973) 5.016 39.337 ( -2.789 0.396 -1.373) 3.134 39.444 ( 0.035 0.667 -1.944) 2.055 39.548 ( 3.129 -2.835 -0.918) 4.321 39.717 ( 2.252 4.397 5.537) 7.420 39.851 ( 0.037 -0.145 4.083) 4.086 39.994 ( 1.671 0.539 6.179) 6.423 40.138 ( -9.784 -4.555 -6.276) 12.485 40.344 ( -4.566 5.058 9.387) 11.599 40.559 ( 1.128 -3.883 6.303) 7.488 40.798 ( -1.865 6.066 5.234) 8.226 41.371 ( 1.675 -13.437 -5.235) 14.518 ======================= Grid point 71 (40/66) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.088 1.881 9.769) 9.949 1.227 ( -3.994 7.800 9.343) 12.810 1.528 ( 3.913 1.914 4.809) 6.489 1.585 ( -2.297 -0.875 3.691) 4.435 1.663 ( 5.536 1.517 6.345) 8.556 1.760 ( 1.661 -1.009 4.729) 5.113 1.834 ( 1.243 -4.318 2.985) 5.394 1.852 ( -2.006 -0.518 0.200) 2.081 1.957 ( -2.521 1.771 -2.004) 3.675 2.011 ( -1.296 -3.621 -1.451) 4.111 2.040 ( 2.014 -5.025 0.454) 5.433 2.195 ( -3.012 -0.076 -3.406) 4.547 2.218 ( 6.096 -4.405 -1.482) 7.665 2.328 ( 4.146 -2.020 -2.212) 5.115 2.387 ( -6.465 1.591 2.362) 7.065 2.440 ( 3.393 0.125 0.045) 3.395 2.574 ( -7.118 1.773 3.615) 8.178 2.664 ( -0.005 -0.110 2.382) 2.384 2.735 ( -6.024 2.061 0.624) 6.397 2.805 ( 6.290 1.088 3.215) 7.147 3.022 ( 1.709 -3.171 -0.046) 3.603 3.062 ( 0.218 -4.228 -2.981) 5.178 3.160 ( 6.159 -2.422 -0.645) 6.649 3.209 ( -2.414 -4.140 -2.002) 5.193 3.519 ( 1.334 9.684 4.110) 10.605 3.650 ( -4.237 7.364 4.377) 9.557 3.682 ( -7.475 10.670 0.915) 13.060 3.895 ( 3.712 1.638 2.706) 4.877 4.020 ( -1.400 -1.098 5.371) 5.658 4.167 ( -1.901 -0.328 3.247) 3.776 4.251 ( -5.441 6.998 1.692) 9.025 4.297 ( -2.648 3.235 5.496) 6.905 4.376 ( -1.187 4.622 0.517) 4.800 4.401 ( -2.697 -0.662 9.807) 10.193 4.488 ( -3.106 0.422 4.495) 5.480 4.584 ( -0.472 -2.089 3.749) 4.318 4.642 ( 1.132 -1.065 5.539) 5.753 4.817 ( -0.378 -1.062 5.127) 5.249 4.875 ( -3.739 -7.851 4.827) 9.946 4.956 ( -5.565 -0.683 0.888) 5.677 5.025 ( -1.011 2.247 5.570) 6.091 5.059 ( -1.128 8.635 5.214) 10.150 5.175 ( -3.424 -3.580 -0.085) 4.954 5.209 ( -1.448 -2.605 3.971) 4.965 5.272 ( 7.725 -1.944 5.836) 9.875 5.371 ( 6.624 1.534 -0.870) 6.855 5.427 ( -1.249 1.646 1.401) 2.496 5.479 ( 1.947 0.878 6.397) 6.744 5.535 ( -2.437 0.429 -0.259) 2.488 5.569 ( -0.030 1.056 1.326) 1.696 5.663 ( 0.305 -2.498 6.606) 7.069 5.753 ( 0.741 0.083 3.250) 3.335 5.807 ( 2.951 0.911 11.451) 11.861 5.887 ( 2.407 -4.317 3.211) 5.894 5.938 ( 3.991 -2.190 3.311) 5.629 5.973 ( 1.706 0.422 7.590) 7.790 6.135 ( -4.934 3.646 -0.812) 6.188 6.226 ( -7.146 5.148 3.178) 9.363 6.323 ( 1.577 10.120 -0.404) 10.250 6.378 ( -0.347 0.981 6.192) 6.278 6.477 ( -3.904 3.828 3.377) 6.426 6.618 ( 11.409 0.542 3.386) 11.914 6.694 ( -2.863 -4.396 0.602) 5.280 6.788 ( 4.060 -9.987 0.240) 10.783 6.843 ( 4.597 1.117 1.354) 4.921 6.918 ( -10.656 -0.438 -0.377) 10.672 6.926 ( 3.608 4.567 3.845) 6.976 7.066 ( 0.478 1.017 5.234) 5.353 7.146 ( 2.491 1.639 -8.816) 9.306 7.243 ( 6.011 -2.156 -7.586) 9.916 7.289 ( -7.750 3.001 -5.771) 10.118 7.352 ( -4.843 5.474 0.551) 7.330 7.578 ( -3.603 4.153 -4.603) 7.170 7.619 ( -3.310 -2.332 1.604) 4.355 7.770 ( 1.693 3.422 -2.786) 4.726 7.861 ( 1.349 4.555 -3.393) 5.838 7.934 ( -2.667 -1.698 -0.795) 3.261 8.031 ( -4.866 13.771 5.092) 15.468 8.133 ( -2.179 -0.433 -9.823) 10.071 8.196 ( 1.714 -3.381 -4.387) 5.798 8.267 ( -1.472 4.039 -0.463) 4.324 8.370 ( 6.622 -5.341 -9.127) 12.477 8.408 ( 3.442 -4.136 -3.825) 6.601 8.433 ( 3.608 -3.344 -7.801) 9.223 8.525 ( -3.808 3.793 -1.614) 5.612 8.703 ( -2.801 -3.239 2.652) 5.037 8.780 ( 2.620 -7.819 0.673) 8.274 8.866 ( 0.892 0.566 0.230) 1.082 8.897 ( 0.448 -2.159 0.873) 2.372 8.947 ( 0.841 3.432 -2.680) 4.435 9.058 ( 1.405 -2.277 -0.134) 2.679 9.112 ( -0.630 -1.289 -3.777) 4.041 9.198 ( 1.162 1.481 -3.991) 4.412 9.251 ( -2.266 -0.207 -0.088) 2.277 9.285 ( -2.120 -2.075 -1.290) 3.235 9.429 ( 3.321 -1.699 -2.906) 4.728 9.517 ( 1.317 -0.567 -2.225) 2.647 9.596 ( 3.584 -0.441 -7.042) 7.914 9.723 ( -4.616 -2.622 -1.673) 5.566 9.767 ( 4.507 -4.119 -1.921) 6.401 9.839 ( -2.171 -1.843 -3.195) 4.280 9.880 ( 3.772 -4.798 -2.025) 6.431 10.010 ( -3.272 0.853 -1.885) 3.871 10.059 ( 0.374 -0.997 -3.132) 3.308 11.433 ( -0.925 0.148 2.102) 2.301 11.482 ( 0.015 -1.381 2.360) 2.734 11.655 ( -1.160 -2.142 -0.534) 2.494 11.702 ( 1.959 -3.667 -3.163) 5.224 11.931 ( -1.718 2.159 2.649) 3.825 11.940 ( 1.346 2.489 1.682) 3.291 12.001 ( 1.351 0.983 -0.084) 1.673 12.077 ( -0.699 -1.378 1.152) 1.928 12.437 ( 1.562 1.587 4.851) 5.338 12.475 ( 1.537 0.683 3.359) 3.756 12.525 ( 0.636 2.274 3.091) 3.890 12.577 ( -0.189 -0.671 1.949) 2.070 12.627 ( 1.286 0.718 4.026) 4.287 12.687 ( 0.396 -3.075 -2.481) 3.971 12.831 ( 4.614 0.253 -4.377) 6.364 12.888 ( 2.773 -1.157 -0.642) 3.073 13.019 ( -3.050 0.547 0.513) 3.141 13.069 ( 0.989 0.821 -1.920) 2.310 13.110 ( 3.598 -1.990 -0.779) 4.185 13.124 ( -4.745 -1.610 -0.565) 5.042 13.545 ( -4.792 1.549 2.764) 5.745 13.586 ( -5.890 -0.402 3.064) 6.652 13.732 ( -2.462 0.920 0.938) 2.791 13.758 ( -1.362 0.656 1.499) 2.129 14.239 ( -4.017 1.001 2.104) 4.644 14.311 ( -4.343 1.449 1.711) 4.887 14.366 ( -6.703 0.883 1.360) 6.897 14.502 ( 2.130 -2.440 -2.932) 4.369 14.537 ( 1.143 0.481 -3.850) 4.045 14.574 ( 1.939 -0.042 -3.852) 4.313 14.898 ( 3.067 -0.895 0.055) 3.196 14.942 ( 1.581 -2.111 0.224) 2.647 17.449 ( -0.619 -0.328 1.207) 1.396 17.453 ( -0.662 -0.307 1.417) 1.594 17.645 ( -2.863 0.398 4.716) 5.532 17.665 ( -0.514 0.107 4.072) 4.105 17.817 ( 2.560 0.411 0.109) 2.595 17.840 ( 4.105 0.724 -0.470) 4.195 17.921 ( 4.370 -0.853 -1.758) 4.787 17.974 ( 4.736 -0.871 -2.886) 5.614 18.420 ( -3.209 0.381 1.415) 3.528 18.466 ( -4.582 -1.089 -0.370) 4.724 18.593 ( 1.959 -0.080 1.000) 2.201 18.605 ( -1.247 -0.609 2.660) 3.001 18.772 ( 1.553 0.607 3.663) 4.025 18.807 ( -0.719 -0.427 2.947) 3.063 18.936 ( 0.349 1.714 1.349) 2.209 18.992 ( 0.547 -0.664 1.411) 1.653 19.571 ( 0.313 6.149 0.783) 6.206 19.798 ( 0.270 0.627 -0.260) 0.731 19.853 ( 0.970 -1.974 -4.112) 4.663 19.912 ( 0.289 -1.604 -3.504) 3.865 19.939 ( -0.037 0.507 -0.266) 0.574 19.955 ( -0.130 -0.141 -0.683) 0.709 20.323 ( 0.943 -0.488 -0.515) 1.180 20.365 ( 1.006 -1.982 -1.232) 2.541 20.542 ( -0.322 1.493 0.858) 1.752 20.568 ( -0.083 1.243 -0.001) 1.246 20.688 ( -0.135 0.699 0.254) 0.756 20.767 ( 0.607 -1.515 -1.312) 2.094 20.861 ( -0.627 1.522 0.859) 1.857 20.964 ( 0.582 -2.183 -1.620) 2.780 21.162 ( 0.563 0.732 -2.550) 2.712 21.176 ( 0.612 0.283 -1.873) 1.991 24.542 ( -0.452 0.290 0.848) 1.004 24.561 ( -0.909 -0.199 0.454) 1.035 24.579 ( -0.145 0.295 0.281) 0.433 24.599 ( -0.403 -0.186 -0.550) 0.707 24.987 ( -0.326 0.499 1.332) 1.459 25.018 ( 0.689 -0.562 0.574) 1.058 25.125 ( -1.300 0.122 0.154) 1.315 25.142 ( 0.330 -0.353 -0.691) 0.843 28.477 ( -0.540 0.478 -0.808) 1.083 28.484 ( -0.416 0.988 -1.096) 1.533 28.510 ( 1.028 -0.630 -0.922) 1.518 28.550 ( -0.795 -0.238 -1.090) 1.370 28.565 ( 0.726 -0.464 -0.732) 1.131 28.580 ( 0.395 -0.289 -0.657) 0.819 28.600 ( 1.294 0.684 -0.521) 1.554 28.634 ( 0.008 -0.561 -1.559) 1.656 35.353 ( -0.598 0.543 2.657) 2.777 35.387 ( 0.292 -0.737 0.373) 0.876 35.607 ( 3.422 3.205 -3.962) 6.138 35.795 ( 7.715 -3.652 -10.766) 13.739 36.285 ( 0.661 0.738 0.959) 1.379 36.366 ( 0.399 -2.071 1.029) 2.346 36.708 ( -3.052 9.907 -2.915) 10.768 37.237 ( -3.468 -8.825 -13.178) 16.234 37.599 ( 0.633 2.149 1.978) 2.989 37.776 ( 1.872 -5.625 -1.326) 6.075 37.941 ( 0.084 2.221 -3.879) 4.471 38.036 ( 1.918 4.236 -3.319) 5.713 38.049 ( 3.709 -0.212 -4.149) 5.569 38.125 ( -1.978 2.667 -5.328) 6.277 38.364 ( 1.147 -3.159 -1.970) 3.896 38.456 ( 1.149 -3.060 -5.453) 6.357 38.678 ( -0.848 2.791 1.886) 3.473 38.811 ( 0.954 -2.563 -0.859) 2.866 39.045 ( 0.037 2.985 0.957) 3.135 39.215 ( 1.291 -2.559 -0.502) 2.910 39.235 ( -0.481 1.307 0.970) 1.698 39.279 ( -3.944 -1.002 -1.800) 4.450 39.394 ( -1.242 2.577 -3.455) 4.486 39.520 ( -3.994 -2.705 -3.793) 6.137 39.763 ( 0.250 3.203 3.143) 4.495 39.915 ( 0.789 -1.778 4.027) 4.472 39.979 ( -0.870 0.193 4.751) 4.834 40.097 ( 3.751 -0.996 6.795) 7.826 40.311 ( -2.487 7.198 8.457) 11.380 40.655 ( 6.502 -5.403 4.778) 9.711 40.770 ( -3.285 5.086 6.662) 9.002 41.298 ( -5.825 -12.197 -6.265) 14.898 ======================= Grid point 72 (41/66) ======================= q-point: (-0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.617 10.544 10.001) 14.546 1.342 ( 8.744 3.154 13.081) 16.047 1.484 ( -8.256 -2.771 2.464) 9.051 1.560 ( -2.666 -3.251 1.321) 4.407 1.691 ( -3.855 -2.444 2.704) 5.306 1.815 ( -2.945 2.092 -1.747) 4.013 1.849 ( 0.526 0.876 1.352) 1.694 1.864 ( 5.218 -3.696 3.506) 7.292 1.947 ( 2.836 1.714 1.691) 3.720 2.003 ( 0.349 -0.625 0.181) 0.738 2.036 ( -4.807 -1.186 -1.243) 5.104 2.170 ( -1.532 -3.022 0.660) 3.452 2.268 ( -2.068 1.070 0.858) 2.481 2.299 ( -5.184 0.366 6.569) 8.376 2.416 ( 2.641 3.845 -0.278) 4.672 2.456 ( 3.098 -5.405 0.096) 6.230 2.542 ( 8.856 -3.026 1.246) 9.442 2.648 ( -3.052 -0.601 4.920) 5.821 2.688 ( -0.806 -0.251 1.458) 1.684 2.830 ( -3.681 -4.431 -1.772) 6.027 2.962 ( -8.135 -6.135 1.110) 10.249 3.054 ( -0.017 -1.160 -2.426) 2.690 3.145 ( -1.783 1.770 -3.233) 4.095 3.223 ( 0.815 -1.199 -1.161) 1.857 3.479 ( -2.310 5.666 1.763) 6.368 3.593 ( -3.286 7.251 4.136) 8.971 3.749 ( 9.053 10.404 4.420) 14.482 3.914 ( -1.156 4.705 0.228) 4.851 4.059 ( -1.443 0.058 1.543) 2.113 4.143 ( 0.231 0.195 6.257) 6.264 4.171 ( -2.754 10.165 4.552) 11.473 4.271 ( -2.347 -0.510 8.172) 8.517 4.326 ( -1.394 5.749 3.012) 6.638 4.431 ( 0.446 -0.720 6.564) 6.618 4.484 ( 0.187 2.891 8.311) 8.801 4.598 ( -3.601 -1.736 2.167) 4.547 4.634 ( -1.178 -1.352 0.920) 2.015 4.742 ( -4.085 -3.186 0.164) 5.183 4.815 ( -3.754 -6.708 2.486) 8.079 4.889 ( -4.589 -2.378 3.927) 6.491 4.948 ( -9.014 -0.589 4.485) 10.085 4.990 ( -1.894 -0.684 4.622) 5.042 5.095 ( -8.260 4.718 4.130) 10.370 5.155 ( -2.482 -0.082 4.759) 5.368 5.317 ( -6.323 1.514 4.506) 7.911 5.349 ( -3.005 -3.280 7.979) 9.135 5.400 ( -0.637 -0.531 2.614) 2.742 5.474 ( -2.373 0.874 -0.335) 2.551 5.513 ( -3.510 3.771 6.654) 8.415 5.601 ( 2.310 -1.756 -3.782) 4.767 5.673 ( -3.630 3.638 6.897) 8.602 5.739 ( -3.076 -7.843 4.419) 9.513 5.821 ( -1.418 2.187 5.783) 6.344 5.970 ( 3.742 -2.229 7.224) 8.436 6.030 ( -2.684 3.721 2.302) 5.133 6.097 ( -3.799 2.924 5.978) 7.663 6.191 ( 7.377 3.061 -0.170) 7.989 6.225 ( 12.804 1.447 -1.089) 12.932 6.334 ( -6.971 0.352 6.476) 9.522 6.438 ( 4.524 -1.036 0.644) 4.685 6.452 ( 6.098 5.750 5.485) 10.016 6.587 ( -7.492 -1.630 -2.046) 7.936 6.647 ( -5.531 -3.245 -5.682) 8.568 6.767 ( 1.329 2.142 -0.611) 2.594 6.781 ( -2.952 0.057 -1.277) 3.217 6.962 ( 2.649 2.532 -5.111) 6.289 7.025 ( 3.327 5.334 2.982) 6.958 7.116 ( -3.739 -0.852 -2.633) 4.652 7.190 ( 5.091 2.872 -1.352) 5.999 7.260 ( 7.165 3.759 -0.050) 8.092 7.343 ( 7.552 -1.063 -5.646) 9.489 7.440 ( 10.158 -1.202 6.796) 12.281 7.536 ( 1.528 -0.153 -9.102) 9.231 7.583 ( -0.592 1.086 2.539) 2.825 7.740 ( -5.729 3.733 -0.970) 6.906 7.840 ( 1.565 -5.050 0.272) 5.294 7.886 ( -0.972 8.495 -7.033) 11.071 7.908 ( -0.319 7.819 1.003) 7.890 8.051 ( -4.006 3.303 -7.012) 8.725 8.221 ( -1.947 7.374 1.395) 7.753 8.246 ( -0.436 -5.774 -2.735) 6.404 8.336 ( -0.471 1.054 -1.807) 2.144 8.432 ( -1.111 0.744 -5.310) 5.475 8.483 ( -0.993 -1.303 0.068) 1.640 8.566 ( 7.593 -3.307 -2.743) 8.725 8.641 ( -1.080 -6.232 2.183) 6.691 8.801 ( -1.598 -4.440 -1.702) 5.017 8.805 ( -4.161 -3.349 0.770) 5.396 8.946 ( 1.832 -0.182 0.327) 1.870 8.954 ( 0.363 0.334 -0.844) 0.977 9.077 ( 2.562 -4.314 -2.418) 5.570 9.130 ( 3.097 4.830 -4.340) 7.195 9.201 ( -2.479 -6.937 0.050) 7.367 9.236 ( 1.612 1.464 -2.162) 3.069 9.282 ( 3.325 0.196 -5.249) 6.217 9.397 ( -2.884 -2.524 -5.398) 6.621 9.491 ( -1.341 -1.431 -2.560) 3.225 9.545 ( -3.187 0.444 -2.837) 4.290 9.671 ( -5.039 -4.979 -2.762) 7.603 9.722 ( -0.768 -4.182 -3.444) 5.472 9.928 ( 7.415 -0.289 -0.006) 7.420 9.986 ( 6.492 -3.120 1.057) 7.280 10.046 ( 5.606 2.089 -2.635) 6.537 10.146 ( 6.477 -2.207 -2.280) 7.213 11.430 ( -0.244 0.159 2.305) 2.323 11.484 ( -0.769 -1.554 2.126) 2.744 11.634 ( -0.617 -1.461 -0.451) 1.649 11.712 ( 0.482 -4.612 -2.785) 5.409 11.903 ( -1.879 1.522 3.143) 3.966 11.970 ( 0.845 2.886 -0.118) 3.010 12.028 ( 0.585 2.042 -0.369) 2.156 12.071 ( 0.082 -1.979 1.459) 2.460 12.445 ( -2.588 1.479 5.237) 6.026 12.500 ( -1.711 -0.078 3.805) 4.172 12.522 ( -2.957 2.514 7.420) 8.374 12.585 ( 0.916 -1.064 -0.412) 1.463 12.664 ( -0.810 -0.393 -0.332) 0.960 12.714 ( 3.425 -2.274 -0.187) 4.116 12.890 ( 1.340 -0.627 -1.846) 2.365 12.947 ( -4.290 -0.558 1.969) 4.753 12.969 ( 5.078 0.291 -5.596) 7.562 13.043 ( -1.249 0.318 0.684) 1.459 13.125 ( 6.025 1.394 -1.662) 6.404 13.182 ( 1.203 -0.951 -0.191) 1.546 13.476 ( -2.712 2.282 4.111) 5.428 13.544 ( 1.779 -0.006 1.313) 2.211 13.703 ( 0.695 0.351 -0.793) 1.111 13.752 ( 0.516 -0.648 1.264) 1.511 14.198 ( 0.356 1.760 0.046) 1.796 14.257 ( -1.872 2.356 1.033) 3.181 14.304 ( 2.163 -1.741 -0.941) 2.932 14.410 ( -6.518 -2.683 -1.478) 7.202 14.537 ( -1.262 0.535 -1.676) 2.165 14.599 ( 0.514 -0.019 -2.981) 3.025 14.903 ( -2.679 -0.414 1.489) 3.093 14.955 ( -0.427 -1.695 0.654) 1.866 17.456 ( 0.845 -0.274 0.545) 1.042 17.463 ( 1.022 -0.236 0.723) 1.274 17.625 ( -0.402 1.344 3.257) 3.546 17.695 ( 1.479 -1.243 2.146) 2.888 17.875 ( 2.075 -0.300 0.694) 2.208 17.909 ( 1.972 -0.509 0.679) 2.146 18.000 ( 2.772 -0.186 -1.479) 3.147 18.052 ( 1.540 -0.325 -1.255) 2.013 18.371 ( -3.205 -0.480 1.695) 3.658 18.384 ( -1.133 -0.566 1.408) 1.894 18.588 ( -0.808 0.551 3.099) 3.249 18.621 ( 0.521 -0.713 1.354) 1.617 18.769 ( -2.442 -0.177 1.208) 2.730 18.781 ( -2.095 -0.246 1.020) 2.343 18.911 ( -3.526 2.268 0.733) 4.256 18.960 ( -3.964 -0.223 2.018) 4.454 19.577 ( -0.179 6.212 0.566) 6.240 19.805 ( 0.368 1.643 -0.214) 1.697 19.855 ( 1.372 -3.376 -5.019) 6.203 19.895 ( -0.463 -1.179 -2.532) 2.831 19.941 ( 0.325 0.528 -0.291) 0.684 19.955 ( 0.300 -0.080 -0.453) 0.549 20.322 ( -0.775 -0.306 -0.591) 1.022 20.373 ( 0.292 -2.277 -1.837) 2.941 20.541 ( -0.249 1.434 1.065) 1.803 20.567 ( 0.023 1.399 0.029) 1.400 20.684 ( -0.277 0.757 0.185) 0.827 20.770 ( 0.164 -1.685 -1.248) 2.103 20.861 ( 0.373 2.029 0.321) 2.088 20.982 ( 1.666 -2.353 -2.413) 3.759 21.162 ( 0.428 0.543 -2.312) 2.413 21.176 ( 0.270 0.279 -2.126) 2.161 24.542 ( 0.132 0.211 1.389) 1.411 24.555 ( 0.418 0.127 0.520) 0.680 24.603 ( 1.448 -0.147 0.333) 1.493 24.614 ( 1.896 -0.160 0.326) 1.931 24.978 ( -0.811 0.478 0.710) 1.179 25.022 ( -0.538 -1.296 0.478) 1.483 25.100 ( -0.698 1.041 0.164) 1.264 25.132 ( -0.958 -0.272 -0.561) 1.143 28.455 ( -1.244 -0.042 -0.656) 1.408 28.468 ( -0.236 -0.130 -0.674) 0.726 28.514 ( -0.269 -0.040 -0.550) 0.614 28.523 ( -0.834 0.083 -1.412) 1.642 28.571 ( 1.058 0.722 -1.223) 1.771 28.616 ( 1.348 -0.509 -1.037) 1.776 28.623 ( 1.000 -0.115 -0.462) 1.108 28.632 ( 0.750 -0.130 -1.395) 1.589 35.353 ( -0.421 0.678 2.267) 2.404 35.389 ( -0.300 -0.510 0.489) 0.767 35.608 ( -1.234 2.207 -3.855) 4.610 35.783 ( -5.010 -4.143 -11.557) 13.260 36.292 ( -0.549 0.343 0.435) 0.780 36.363 ( -1.223 -1.603 0.880) 2.200 36.667 ( 1.111 9.500 -2.542) 9.897 37.164 ( 2.856 -9.356 -9.082) 13.348 37.626 ( 0.594 2.199 2.267) 3.213 37.781 ( -1.140 -4.557 -1.454) 4.917 37.901 ( -1.576 3.924 -3.656) 5.590 38.068 ( 1.598 2.358 -4.003) 4.913 38.072 ( -0.682 3.127 -4.404) 5.444 38.094 ( 3.515 1.169 -5.269) 6.441 38.390 ( 1.406 -3.739 -1.151) 4.157 38.438 ( -0.090 -3.436 -6.296) 7.173 38.672 ( -0.382 3.985 1.437) 4.254 38.840 ( 1.906 -2.797 -0.790) 3.476 39.020 ( -2.327 0.983 1.899) 3.160 39.083 ( -6.754 -0.801 -1.987) 7.085 39.265 ( 3.532 2.561 0.884) 4.452 39.336 ( 4.894 -0.218 0.480) 4.922 39.405 ( 1.507 0.808 -0.430) 1.764 39.446 ( -1.340 -0.716 -2.517) 2.940 39.758 ( -2.275 1.046 4.293) 4.970 39.840 ( -5.637 -2.731 2.040) 6.587 40.061 ( 0.654 3.907 7.309) 8.313 40.180 ( 2.431 1.022 3.214) 4.157 40.341 ( 2.192 6.859 7.541) 10.427 40.720 ( -4.023 -1.654 6.646) 7.944 40.828 ( 4.757 -5.371 1.095) 7.258 41.160 ( -1.926 -10.412 -3.526) 11.160 ======================= Grid point 73 (42/66) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -5.679 -1.995 4.301) 7.398 1.285 ( -5.679 1.995 4.301) 7.398 1.465 ( -0.414 -2.060 3.590) 4.159 1.465 ( -0.414 2.060 3.590) 4.159 1.748 ( -2.102 -6.893 7.360) 10.301 1.748 ( -2.102 6.893 7.360) 10.301 1.810 ( -6.668 -2.136 4.203) 8.166 1.810 ( -6.668 2.136 4.203) 8.166 1.999 ( 0.700 -2.878 -1.649) 3.390 1.999 ( 0.700 2.878 -1.649) 3.390 2.053 ( 1.750 -1.421 -0.111) 2.257 2.053 ( 1.750 1.421 -0.111) 2.257 2.336 ( -0.615 -7.634 3.486) 8.415 2.336 ( -0.615 7.634 3.486) 8.415 2.474 ( 1.104 -5.708 3.846) 6.971 2.474 ( 1.104 5.708 3.846) 6.971 2.574 ( -1.924 -3.499 -0.340) 4.008 2.574 ( -1.924 3.499 -0.340) 4.008 2.656 ( 5.692 -3.278 2.036) 6.876 2.656 ( 5.692 3.278 2.036) 6.876 2.908 ( -3.360 -4.544 0.337) 5.661 2.908 ( -3.360 4.544 0.337) 5.661 3.183 ( -1.092 -3.885 -4.739) 6.225 3.183 ( -1.092 3.885 -4.739) 6.225 3.628 ( 2.372 -1.761 3.798) 4.812 3.628 ( 2.372 1.761 3.798) 4.812 4.010 ( 2.741 -2.553 -0.632) 3.799 4.010 ( 2.741 2.553 -0.632) 3.799 4.124 ( -0.672 -4.041 4.836) 6.338 4.124 ( -0.672 4.041 4.836) 6.338 4.284 ( -3.171 -3.376 4.940) 6.772 4.284 ( -3.171 3.376 4.940) 6.772 4.409 ( 0.766 -7.460 4.574) 8.784 4.409 ( 0.766 7.460 4.574) 8.784 4.536 ( -0.400 -4.125 2.028) 4.613 4.536 ( -0.400 4.125 2.028) 4.613 4.636 ( -4.963 -7.384 5.304) 10.358 4.636 ( -4.963 7.384 5.304) 10.358 4.754 ( 4.635 -1.479 0.077) 4.866 4.754 ( 4.635 1.479 0.077) 4.866 4.889 ( 1.190 -10.310 2.758) 10.739 4.889 ( 1.190 10.310 2.758) 10.739 5.232 ( -0.557 -5.720 9.735) 11.305 5.232 ( -0.557 5.720 9.735) 11.305 5.287 ( -0.346 -9.269 8.053) 12.283 5.287 ( -0.346 9.269 8.053) 12.283 5.342 ( -1.466 -5.174 5.058) 7.382 5.342 ( -1.466 5.174 5.058) 7.382 5.495 ( -4.220 -1.563 2.369) 5.086 5.495 ( -4.220 1.563 2.369) 5.086 5.648 ( -2.284 -3.151 -1.738) 4.263 5.648 ( -2.284 3.151 -1.738) 4.263 5.846 ( -5.920 -4.309 0.782) 7.364 5.846 ( -5.920 4.309 0.782) 7.364 6.143 ( -1.909 -6.717 0.025) 6.983 6.143 ( -1.909 6.717 0.025) 6.983 6.228 ( -1.008 -1.765 8.111) 8.362 6.228 ( -1.008 1.765 8.111) 8.362 6.394 ( 0.269 -0.617 -2.799) 2.879 6.394 ( 0.269 0.617 -2.799) 2.879 6.571 ( -1.516 -1.088 3.564) 4.023 6.571 ( -1.516 1.088 3.564) 4.023 6.646 ( 2.915 -5.559 -0.129) 6.278 6.646 ( 2.915 5.559 -0.129) 6.278 6.935 ( -0.320 -4.508 -3.351) 5.626 6.935 ( -0.320 4.508 -3.351) 5.626 7.035 ( -8.783 -7.373 3.634) 12.030 7.035 ( -8.783 7.373 3.634) 12.030 7.328 ( 3.321 -6.328 -4.888) 8.658 7.328 ( 3.321 6.328 -4.888) 8.658 7.470 ( 4.354 -4.513 -3.169) 7.026 7.470 ( 4.354 4.513 -3.169) 7.026 7.621 ( 1.520 -2.711 -2.416) 3.937 7.621 ( 1.520 2.711 -2.416) 3.937 7.860 ( 6.646 -6.889 4.085) 10.408 7.860 ( 6.646 6.889 4.085) 10.408 8.026 ( 1.155 -3.399 -3.120) 4.756 8.026 ( 1.155 3.399 -3.120) 4.756 8.108 ( 2.185 -3.358 -6.103) 7.301 8.108 ( 2.185 3.358 -6.103) 7.301 8.315 ( -2.231 -8.626 0.008) 8.909 8.315 ( -2.231 8.626 0.008) 8.909 8.484 ( -2.978 -2.583 0.047) 3.943 8.484 ( -2.978 2.583 0.047) 3.943 8.596 ( 1.698 -5.436 -1.573) 5.908 8.596 ( 1.698 5.436 -1.573) 5.908 8.683 ( 4.456 -3.764 0.678) 5.872 8.683 ( 4.456 3.764 0.678) 5.872 8.871 ( -3.191 -4.646 -4.015) 6.920 8.871 ( -3.191 4.646 -4.015) 6.920 9.067 ( 4.060 -2.452 -1.826) 5.083 9.067 ( 4.060 2.452 -1.826) 5.083 9.222 ( -3.433 -1.086 -2.856) 4.596 9.222 ( -3.433 1.086 -2.856) 4.596 9.363 ( 4.286 -0.164 -5.202) 6.742 9.363 ( 4.286 0.164 -5.202) 6.742 9.465 ( -3.759 -1.460 -0.483) 4.061 9.465 ( -3.759 1.460 -0.483) 4.061 9.571 ( 1.929 -7.015 -1.928) 7.526 9.571 ( 1.929 7.015 -1.928) 7.526 10.042 ( 0.672 -1.701 1.172) 2.173 10.042 ( 0.672 1.701 1.172) 2.173 10.162 ( 1.151 -1.902 -2.487) 3.336 10.162 ( 1.151 1.902 -2.487) 3.336 11.444 ( -0.536 -0.720 2.211) 2.386 11.444 ( -0.536 0.720 2.211) 2.386 11.631 ( 0.544 -1.507 -1.815) 2.421 11.631 ( 0.544 1.507 -1.815) 2.421 11.939 ( -1.179 -3.071 2.726) 4.273 11.939 ( -1.179 3.071 2.726) 4.273 12.063 ( -0.641 -1.884 0.811) 2.149 12.063 ( -0.641 1.884 0.811) 2.149 12.451 ( -2.184 -1.603 2.120) 3.440 12.451 ( -2.184 1.603 2.120) 3.440 12.548 ( -2.324 -2.257 5.985) 6.805 12.548 ( -2.324 2.257 5.985) 6.805 12.659 ( -1.086 -3.122 -1.528) 3.641 12.659 ( -1.086 3.122 -1.528) 3.641 12.862 ( -2.807 -1.896 1.444) 3.682 12.862 ( -2.807 1.896 1.444) 3.682 13.011 ( -0.089 -1.416 -1.242) 1.885 13.011 ( -0.089 1.416 -1.242) 1.885 13.220 ( 1.584 -1.379 -3.966) 4.488 13.220 ( 1.584 1.379 -3.966) 4.488 13.603 ( 4.656 -2.016 1.048) 5.181 13.603 ( 4.656 2.016 1.048) 5.181 13.757 ( 2.331 -0.992 0.372) 2.561 13.757 ( 2.331 0.992 0.372) 2.561 14.273 ( 0.552 -1.246 -0.138) 1.369 14.273 ( 0.552 1.246 -0.138) 1.369 14.355 ( 7.902 -2.518 -2.878) 8.779 14.355 ( 7.902 2.518 -2.878) 8.779 14.537 ( -1.418 -2.441 -2.711) 3.914 14.537 ( -1.418 2.441 -2.711) 3.914 14.870 ( -3.640 -3.089 3.218) 5.757 14.870 ( -3.640 3.089 3.218) 5.757 17.477 ( 0.527 -0.528 0.388) 0.841 17.477 ( 0.527 0.528 0.388) 0.841 17.679 ( -0.080 -1.562 2.529) 2.974 17.679 ( -0.080 1.562 2.529) 2.974 17.856 ( -4.431 -0.502 3.333) 5.567 17.856 ( -4.431 0.502 3.333) 5.567 18.005 ( -3.909 -0.334 0.426) 3.946 18.005 ( -3.909 0.334 0.426) 3.946 18.397 ( 3.813 -1.647 1.752) 4.508 18.397 ( 3.813 1.647 1.752) 4.508 18.608 ( -1.523 -0.156 2.681) 3.087 18.608 ( -1.523 0.156 2.681) 3.087 18.758 ( 0.373 -0.430 -0.344) 0.665 18.758 ( 0.373 0.430 -0.344) 0.665 18.873 ( -2.020 -0.613 0.973) 2.324 18.873 ( -2.020 0.613 0.973) 2.324 19.732 ( 0.452 -7.137 -3.467) 7.947 19.732 ( 0.452 7.137 -3.467) 7.947 19.852 ( 0.351 -1.871 -1.261) 2.284 19.852 ( 0.351 1.871 -1.261) 2.284 19.955 ( 0.174 -0.297 -0.313) 0.465 19.955 ( 0.174 0.297 -0.313) 0.465 20.313 ( -0.633 -1.521 -0.888) 1.871 20.313 ( -0.633 1.521 -0.888) 1.871 20.575 ( 0.123 -0.946 0.411) 1.039 20.575 ( 0.123 0.946 0.411) 1.039 20.718 ( -0.004 -2.284 -0.566) 2.353 20.718 ( -0.004 2.284 -0.566) 2.353 20.930 ( 0.328 -2.933 -1.690) 3.401 20.930 ( 0.328 2.933 -1.690) 3.401 21.172 ( 0.465 -0.366 -2.299) 2.374 21.172 ( 0.465 0.366 -2.299) 2.374 24.562 ( 0.152 -0.604 1.228) 1.377 24.562 ( 0.152 0.604 1.228) 1.377 24.635 ( 0.425 -0.476 0.437) 0.773 24.635 ( 0.425 0.476 0.437) 0.773 24.984 ( -0.205 -1.018 -0.051) 1.040 24.984 ( -0.205 1.018 -0.051) 1.040 25.114 ( 0.278 -0.159 -0.131) 0.345 25.114 ( 0.278 0.159 -0.131) 0.345 28.450 ( 0.522 -0.824 -0.393) 1.051 28.450 ( 0.522 0.824 -0.393) 1.051 28.517 ( 0.389 -0.322 -1.303) 1.397 28.517 ( 0.389 0.322 -1.303) 1.397 28.604 ( -0.054 -1.094 -0.979) 1.469 28.604 ( -0.054 1.094 -0.979) 1.469 28.629 ( -0.046 -0.819 -1.060) 1.340 28.629 ( -0.046 0.819 -1.060) 1.340 35.372 ( -0.499 -0.706 1.304) 1.564 35.372 ( -0.499 0.706 1.304) 1.564 35.576 ( -2.665 -1.354 -2.759) 4.068 35.576 ( -2.665 1.354 -2.759) 4.068 36.297 ( -1.143 -1.638 1.836) 2.713 36.297 ( -1.143 1.638 1.836) 2.713 37.001 ( 7.144 -12.765 -7.885) 16.618 37.001 ( 7.144 12.765 -7.885) 16.618 37.675 ( -1.736 -2.697 0.872) 3.324 37.675 ( -1.736 2.697 0.872) 3.324 37.963 ( -0.390 -3.799 -4.597) 5.977 37.963 ( -0.390 3.799 -4.597) 5.977 38.190 ( 1.545 -2.461 -2.391) 3.763 38.190 ( 1.545 2.461 -2.391) 3.763 38.342 ( 0.889 -2.047 -4.621) 5.132 38.342 ( 0.889 2.047 -4.621) 5.132 38.765 ( -0.584 -4.089 -0.630) 4.178 38.765 ( -0.584 4.089 -0.630) 4.178 39.016 ( 0.812 -0.923 0.752) 1.441 39.016 ( 0.812 0.923 0.752) 1.441 39.404 ( 1.304 -1.966 -0.163) 2.365 39.404 ( 1.304 1.967 -0.163) 2.365 39.425 ( 1.438 -1.014 -0.068) 1.761 39.425 ( 1.438 1.014 -0.068) 1.761 39.753 ( -0.416 -2.649 5.879) 6.462 39.753 ( -0.416 2.649 5.879) 6.462 40.167 ( -4.284 -5.858 1.326) 7.378 40.167 ( -4.284 5.858 1.326) 7.378 40.486 ( -4.348 -2.313 3.514) 6.050 40.486 ( -4.348 2.313 3.514) 6.050 40.966 ( 4.655 -12.090 2.479) 13.190 40.966 ( 4.655 12.090 2.479) 13.190 ======================= Grid point 75 (43/66) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -1.885 -5.650 3.190) 6.756 1.234 ( -1.885 5.650 3.190) 6.756 1.504 ( 3.482 -3.599 6.695) 8.360 1.504 ( 3.482 3.599 6.695) 8.360 1.704 ( -2.437 -5.167 6.559) 8.698 1.704 ( -2.437 5.167 6.559) 8.698 1.789 ( -1.398 -6.928 5.230) 8.792 1.789 ( -1.398 6.928 5.230) 8.792 1.975 ( -0.339 -0.482 -2.290) 2.364 1.975 ( -0.339 0.482 -2.290) 2.364 2.064 ( -0.160 -5.423 -0.105) 5.426 2.064 ( -0.160 5.423 -0.105) 5.426 2.272 ( -4.722 -2.358 -0.339) 5.289 2.272 ( -4.722 2.358 -0.339) 5.289 2.469 ( -2.431 -3.101 -0.262) 3.949 2.469 ( -2.431 3.101 -0.262) 3.949 2.645 ( 5.697 -4.421 2.672) 7.690 2.645 ( 5.697 4.421 2.672) 7.690 2.761 ( 1.941 -5.740 3.055) 6.785 2.761 ( 1.941 5.740 3.055) 6.785 2.905 ( 3.818 -0.202 1.182) 4.002 2.905 ( 3.818 0.202 1.182) 4.002 3.134 ( -1.593 -5.547 -3.482) 6.740 3.134 ( -1.593 5.547 -3.482) 6.740 3.706 ( 3.799 -5.452 3.468) 7.496 3.706 ( 3.799 5.452 3.468) 7.496 3.943 ( -9.378 -3.302 -1.272) 10.024 3.943 ( -9.378 3.302 -1.272) 10.024 4.125 ( -1.316 -8.477 4.336) 9.612 4.125 ( -1.316 8.477 4.336) 9.612 4.271 ( 0.447 -1.291 4.514) 4.716 4.271 ( 0.447 1.291 4.514) 4.716 4.460 ( 2.101 -0.846 7.159) 7.509 4.460 ( 2.101 0.846 7.159) 7.509 4.546 ( -1.400 -3.945 0.916) 4.285 4.546 ( -1.400 3.945 0.916) 4.285 4.655 ( 4.145 -6.330 5.544) 9.380 4.655 ( 4.145 6.330 5.544) 9.380 4.862 ( 0.214 -4.272 0.783) 4.349 4.862 ( 0.214 4.272 0.783) 4.349 4.967 ( 8.938 -4.424 2.112) 10.194 4.967 ( 8.938 4.424 2.112) 10.194 5.199 ( -2.870 -1.737 5.903) 6.790 5.199 ( -2.870 1.737 5.903) 6.790 5.314 ( -0.271 -3.641 1.907) 4.119 5.314 ( -0.271 3.641 1.907) 4.119 5.429 ( 3.846 -5.199 6.652) 9.278 5.429 ( 3.846 5.199 6.652) 9.278 5.498 ( 1.814 -4.193 6.944) 8.312 5.498 ( 1.814 4.193 6.944) 8.312 5.620 ( 1.500 -1.955 3.210) 4.047 5.620 ( 1.500 1.955 3.210) 4.047 5.744 ( -2.759 -0.750 -1.726) 3.340 5.744 ( -2.759 0.750 -1.726) 3.340 6.070 ( -6.284 -4.443 0.250) 7.701 6.070 ( -6.284 4.443 0.250) 7.701 6.269 ( 0.273 -3.480 3.155) 4.705 6.269 ( 0.273 3.480 3.155) 4.705 6.379 ( 0.652 -2.100 9.170) 9.430 6.379 ( 0.652 2.100 9.170) 9.430 6.573 ( -6.186 -3.364 -0.743) 7.081 6.573 ( -6.186 3.364 -0.743) 7.081 6.612 ( 2.212 -1.373 0.944) 2.769 6.612 ( 2.212 1.373 0.944) 2.769 6.900 ( -3.261 -7.875 3.759) 9.315 6.900 ( -3.261 7.875 3.759) 9.315 7.002 ( 4.672 -7.852 1.533) 9.265 7.002 ( 4.672 7.852 1.533) 9.265 7.249 ( -7.031 -1.656 -4.765) 8.653 7.249 ( -7.031 1.656 -4.765) 8.653 7.475 ( -2.747 -0.241 -4.312) 5.118 7.475 ( -2.747 0.241 -4.312) 5.118 7.728 ( 8.181 -4.078 -1.597) 9.280 7.728 ( 8.181 4.078 -1.597) 9.280 7.861 ( -11.516 -3.859 -0.384) 12.151 7.861 ( -11.516 3.859 -0.384) 12.151 8.017 ( 5.349 -10.639 -2.444) 12.156 8.017 ( 5.349 10.639 -2.444) 12.156 8.184 ( 2.854 -2.294 -4.040) 5.452 8.184 ( 2.854 2.294 -4.040) 5.452 8.253 ( -0.286 -2.035 -7.524) 7.800 8.253 ( -0.286 2.035 -7.524) 7.800 8.488 ( 3.039 -9.675 -0.335) 10.146 8.488 ( 3.039 9.675 -0.335) 10.146 8.562 ( -5.157 -8.425 -1.597) 10.006 8.562 ( -5.157 8.425 -1.597) 10.006 8.718 ( 2.196 -3.657 2.059) 4.737 8.718 ( 2.196 3.657 2.059) 4.737 8.920 ( 4.249 -2.226 -1.767) 5.112 8.920 ( 4.249 2.226 -1.767) 5.112 9.070 ( -2.313 -4.705 -3.071) 6.076 9.070 ( -2.313 4.705 -3.071) 6.076 9.224 ( 5.215 -1.277 -4.193) 6.812 9.224 ( 5.215 1.277 -4.193) 6.812 9.365 ( -2.112 -2.924 -2.232) 4.241 9.365 ( -2.112 2.924 -2.232) 4.241 9.458 ( 3.412 -2.159 -1.260) 4.230 9.458 ( 3.412 2.159 -1.260) 4.230 9.628 ( 4.739 -5.922 -2.647) 8.033 9.628 ( 4.739 5.922 -2.647) 8.033 9.949 ( -8.422 -1.718 -1.406) 8.710 9.949 ( -8.422 1.718 -1.406) 8.710 10.123 ( -4.035 -0.416 -2.166) 4.599 10.123 ( -4.035 0.416 -2.166) 4.599 11.445 ( -0.359 -0.545 2.388) 2.476 11.445 ( -0.359 0.545 2.388) 2.476 11.638 ( 0.828 -0.187 -2.059) 2.227 11.638 ( 0.828 0.187 -2.059) 2.227 11.946 ( 0.874 -2.466 2.106) 3.358 11.946 ( 0.874 2.466 2.106) 3.358 12.042 ( -1.886 -2.895 2.219) 4.106 12.042 ( -1.886 2.895 2.219) 4.106 12.441 ( 0.765 -2.067 1.027) 2.432 12.441 ( 0.765 2.067 1.027) 2.432 12.551 ( 0.267 -2.806 5.032) 5.768 12.551 ( 0.267 2.806 5.032) 5.768 12.615 ( -1.931 -3.447 0.908) 4.054 12.615 ( -1.931 3.447 0.908) 4.054 12.832 ( -0.154 -2.199 -1.329) 2.574 12.832 ( -0.154 2.199 -1.329) 2.574 13.025 ( 2.136 -0.798 -1.506) 2.733 13.025 ( 2.136 0.798 -1.506) 2.733 13.175 ( -4.319 -2.618 -2.203) 5.510 13.175 ( -4.319 2.618 -2.203) 5.510 13.642 ( -1.889 -1.265 2.319) 3.248 13.642 ( -1.889 1.265 2.319) 3.248 13.781 ( -0.404 -0.185 0.884) 0.989 13.781 ( -0.404 0.185 0.884) 0.989 14.340 ( 2.643 -2.521 -1.422) 3.919 14.340 ( 2.643 2.521 -1.422) 3.919 14.414 ( 0.743 -1.788 -0.949) 2.156 14.414 ( 0.743 1.788 -0.949) 2.156 14.555 ( 2.592 -0.812 -4.474) 5.234 14.555 ( 2.592 0.812 -4.474) 5.234 14.838 ( 0.590 -3.290 2.884) 4.415 14.838 ( 0.590 3.290 2.884) 4.415 17.466 ( -1.718 -0.454 1.311) 2.208 17.466 ( -1.718 0.454 1.311) 2.208 17.680 ( -1.361 -0.652 4.161) 4.426 17.680 ( -1.361 0.652 4.161) 4.426 17.800 ( -0.958 -0.774 1.890) 2.256 17.800 ( -0.958 0.774 1.890) 2.256 17.925 ( -2.783 -1.575 -0.636) 3.260 17.925 ( -2.783 1.575 -0.636) 3.260 18.476 ( 1.579 -1.232 0.017) 2.003 18.476 ( 1.579 1.232 0.017) 2.003 18.578 ( -1.026 -0.964 2.467) 2.841 18.578 ( -1.026 0.964 2.467) 2.841 18.764 ( 0.458 -1.375 2.753) 3.111 18.764 ( 0.458 1.375 2.753) 3.111 18.913 ( 3.744 -0.821 0.891) 3.936 18.913 ( 3.744 0.821 0.891) 3.936 19.723 ( 0.204 -6.719 -2.909) 7.324 19.723 ( 0.204 6.719 -2.909) 7.324 19.861 ( 1.032 -2.035 -1.859) 2.943 19.861 ( 1.032 2.035 -1.859) 2.943 19.954 ( -0.146 -0.379 -0.297) 0.503 19.954 ( -0.146 0.379 -0.297) 0.503 20.310 ( 0.704 -1.341 -0.537) 1.607 20.310 ( 0.704 1.341 -0.537) 1.607 20.576 ( -0.175 -0.838 0.263) 0.896 20.576 ( -0.175 0.838 0.263) 0.896 20.718 ( 0.299 -2.108 -0.540) 2.197 20.718 ( 0.299 2.108 -0.540) 2.197 20.919 ( -0.592 -2.518 -1.016) 2.779 20.919 ( -0.592 2.518 -1.016) 2.779 21.174 ( 0.609 -0.253 -2.245) 2.340 21.174 ( 0.609 0.253 -2.245) 2.340 24.559 ( -0.697 -0.706 0.886) 1.330 24.559 ( -0.697 0.706 0.886) 1.330 24.621 ( -1.699 -0.489 -0.034) 1.768 24.621 ( -1.699 0.489 -0.034) 1.768 24.990 ( 0.642 -0.649 0.371) 0.985 24.990 ( 0.642 0.649 0.371) 0.985 25.127 ( 0.727 -0.296 -0.186) 0.807 25.127 ( 0.727 0.296 -0.186) 0.807 28.475 ( 1.985 -0.910 -0.613) 2.268 28.475 ( 1.985 0.910 -0.613) 2.268 28.518 ( 0.206 -0.915 -1.344) 1.639 28.518 ( 0.206 0.915 -1.344) 1.639 28.587 ( -1.122 -0.993 -0.734) 1.668 28.587 ( -1.122 0.993 -0.734) 1.668 28.619 ( -0.261 -1.207 -1.082) 1.641 28.619 ( -0.261 1.207 -1.082) 1.641 35.367 ( -0.469 -0.614 1.790) 1.950 35.367 ( -0.469 0.614 1.790) 1.950 35.597 ( 5.439 -2.948 -3.587) 7.151 35.597 ( 5.439 2.948 -3.587) 7.151 36.297 ( 0.275 -1.811 2.065) 2.761 36.297 ( 0.275 1.811 2.065) 2.761 37.060 ( 1.494 -13.849 -10.313) 17.332 37.060 ( 1.494 13.849 -10.313) 17.332 37.651 ( -0.568 -3.100 0.998) 3.306 37.651 ( -0.568 3.100 0.998) 3.306 37.960 ( 1.972 -2.317 -3.152) 4.381 37.960 ( 1.972 2.317 -3.152) 4.381 38.181 ( -1.151 -4.278 -2.715) 5.196 38.181 ( -1.151 4.278 -2.715) 5.196 38.352 ( 1.759 -3.797 -4.809) 6.375 38.352 ( 1.759 3.797 -4.809) 6.375 38.748 ( -0.547 -3.151 -0.290) 3.211 38.748 ( -0.547 3.151 -0.290) 3.211 39.069 ( 3.606 -2.496 0.812) 4.460 39.069 ( 3.606 2.496 0.812) 4.460 39.345 ( -4.297 -0.118 -1.025) 4.419 39.345 ( -4.297 0.118 -1.025) 4.419 39.481 ( 1.380 -2.725 -0.576) 3.108 39.481 ( 1.380 2.725 -0.576) 3.108 39.819 ( 2.863 -3.497 7.003) 8.335 39.819 ( 2.863 3.497 7.003) 8.335 40.031 ( -6.256 -3.796 -0.946) 7.378 40.031 ( -6.256 3.796 -0.946) 7.378 40.463 ( -0.902 -4.828 7.153) 8.677 40.463 ( -0.902 4.828 7.153) 8.677 41.031 ( 0.472 -14.504 0.263) 14.514 41.031 ( 0.472 14.504 0.263) 14.514 ======================= Grid point 77 (44/66) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.133 -5.023 5.663) 7.654 1.232 ( 1.133 5.023 5.663) 7.654 1.589 ( -2.231 -2.727 5.625) 6.638 1.589 ( -2.231 2.727 5.625) 6.638 1.714 ( 0.334 -2.978 4.454) 5.368 1.714 ( 0.334 2.978 4.454) 5.368 1.794 ( 3.186 -3.393 5.086) 6.894 1.794 ( 3.186 3.393 5.086) 6.894 1.956 ( -0.882 -1.538 -2.065) 2.722 1.956 ( -0.882 1.538 -2.065) 2.722 2.095 ( 2.257 -6.053 -3.311) 7.260 2.095 ( 2.257 6.053 -3.311) 7.260 2.227 ( 2.147 -3.070 1.350) 3.983 2.227 ( 2.147 3.070 1.350) 3.983 2.435 ( -1.140 -1.163 -0.606) 1.738 2.435 ( -1.140 1.163 -0.606) 1.738 2.675 ( -4.286 -3.178 2.080) 5.727 2.675 ( -4.286 3.178 2.080) 5.727 2.777 ( -1.784 -2.718 5.003) 5.967 2.777 ( -1.784 2.718 5.003) 5.967 2.965 ( 0.391 -2.758 -1.989) 3.422 2.965 ( 0.391 2.758 -1.989) 3.422 3.141 ( 3.921 -1.382 -1.786) 4.525 3.141 ( 3.921 1.382 -1.786) 4.525 3.704 ( -8.800 -4.910 2.222) 10.319 3.704 ( -8.800 4.910 2.222) 10.319 3.834 ( 3.867 -2.280 2.093) 4.953 3.834 ( 3.867 2.280 2.093) 4.953 4.112 ( -1.116 -5.794 2.766) 6.517 4.112 ( -1.116 5.794 2.766) 6.517 4.317 ( 1.127 -2.805 5.792) 6.534 4.317 ( 1.127 2.805 5.792) 6.534 4.467 ( -3.918 -5.753 2.338) 7.342 4.467 ( -3.918 5.753 2.338) 7.342 4.521 ( -0.480 -4.196 2.399) 4.857 4.521 ( -0.480 4.196 2.399) 4.857 4.745 ( -1.834 -7.164 5.092) 8.979 4.745 ( -1.834 7.164 5.092) 8.979 4.790 ( -2.772 -3.483 4.859) 6.590 4.790 ( -2.772 3.483 4.859) 6.590 5.113 ( -4.198 -3.386 4.249) 6.866 5.113 ( -4.198 3.386 4.249) 6.866 5.161 ( -0.700 -2.527 3.525) 4.393 5.161 ( -0.700 2.527 3.525) 4.393 5.335 ( -3.557 -6.540 6.914) 10.160 5.335 ( -3.557 6.540 6.914) 10.160 5.473 ( 5.870 -4.070 0.549) 7.164 5.473 ( 5.870 4.070 0.549) 7.164 5.584 ( 1.440 -3.157 2.011) 4.011 5.584 ( 1.440 3.157 2.011) 4.011 5.684 ( -0.268 -5.702 5.084) 7.644 5.684 ( -0.268 5.702 5.084) 7.644 5.787 ( 3.833 -1.243 4.259) 5.863 5.787 ( 3.833 1.243 4.259) 5.863 5.964 ( 2.453 -1.890 8.518) 9.063 5.964 ( 2.453 1.890 8.518) 9.063 6.244 ( -3.586 -4.659 -0.219) 5.883 6.244 ( -3.586 4.659 -0.219) 5.883 6.419 ( -4.031 -5.826 0.011) 7.084 6.419 ( -4.031 5.826 0.011) 7.084 6.567 ( 5.563 -4.621 2.837) 7.768 6.567 ( 5.563 4.621 2.837) 7.768 6.658 ( 1.200 -4.334 5.466) 7.078 6.658 ( 1.200 4.334 5.466) 7.078 6.875 ( 0.326 -2.488 1.298) 2.825 6.875 ( 0.326 2.488 1.298) 2.825 7.102 ( -0.287 -4.841 4.389) 6.541 7.102 ( -0.287 4.841 4.389) 6.541 7.156 ( 4.659 -2.992 -6.608) 8.621 7.156 ( 4.659 2.992 -6.608) 8.621 7.373 ( -3.599 -5.202 -2.354) 6.750 7.373 ( -3.599 5.202 -2.354) 6.750 7.633 ( -7.825 -3.290 -1.197) 8.572 7.633 ( -7.825 3.290 -1.197) 8.572 7.792 ( -1.644 -2.576 -5.245) 6.070 7.792 ( -1.644 2.576 -5.245) 6.070 8.088 ( 3.107 -5.033 -6.688) 8.929 8.088 ( 3.107 5.033 -6.688) 8.929 8.166 ( -1.515 -3.624 -5.289) 6.589 8.166 ( -1.515 3.624 -5.289) 6.589 8.284 ( 5.528 -2.804 -6.026) 8.645 8.284 ( 5.528 2.804 -6.026) 8.645 8.442 ( -1.366 -5.476 2.161) 6.043 8.442 ( -1.366 5.476 2.161) 6.043 8.614 ( 3.696 -0.805 -2.216) 4.384 8.614 ( 3.696 0.805 -2.216) 4.384 8.701 ( -5.961 -7.142 3.531) 9.951 8.701 ( -5.961 7.142 3.531) 9.951 8.914 ( 0.619 -2.808 -0.456) 2.912 8.914 ( 0.619 2.808 -0.456) 2.912 9.086 ( 0.731 -1.566 -1.876) 2.551 9.086 ( 0.731 1.566 -1.876) 2.551 9.240 ( -0.479 -2.766 -4.745) 5.513 9.240 ( -0.479 2.766 -4.745) 5.513 9.340 ( 1.382 -5.697 -6.310) 8.613 9.340 ( 1.382 5.697 -6.310) 8.613 9.540 ( 3.307 -3.105 0.224) 4.542 9.540 ( 3.307 3.105 0.224) 4.542 9.705 ( -0.652 -0.796 -3.427) 3.578 9.705 ( -0.652 0.796 -3.427) 3.578 9.810 ( 0.770 -0.292 -1.134) 1.402 9.810 ( 0.770 0.292 -1.134) 1.402 10.033 ( -1.282 -1.170 -3.308) 3.735 10.033 ( -1.282 1.170 -3.308) 3.735 11.448 ( -0.404 -1.296 2.311) 2.680 11.448 ( -0.404 1.296 2.311) 2.680 11.641 ( 0.267 -1.232 -2.042) 2.400 11.641 ( 0.267 1.232 -2.042) 2.400 11.981 ( 1.077 -1.310 0.377) 1.737 11.981 ( 1.077 1.310 0.377) 1.737 12.018 ( -0.887 -2.897 3.412) 4.562 12.018 ( -0.887 2.897 3.412) 4.562 12.479 ( 1.764 -0.928 1.244) 2.349 12.479 ( 1.764 0.928 1.244) 2.349 12.569 ( -0.411 -1.407 2.736) 3.104 12.569 ( -0.411 1.407 2.736) 3.104 12.626 ( 1.626 -0.271 2.595) 3.075 12.626 ( 1.626 0.271 2.595) 3.075 12.857 ( 3.936 -1.585 -3.612) 5.572 12.857 ( 3.936 1.585 -3.612) 5.572 13.051 ( -2.506 -2.257 -1.438) 3.666 13.051 ( -2.506 2.257 -1.438) 3.666 13.094 ( 1.310 -1.141 0.016) 1.737 13.094 ( 1.310 1.141 0.016) 1.737 13.572 ( -5.288 -0.905 3.348) 6.324 13.572 ( -5.288 0.905 3.348) 6.324 13.757 ( -2.190 -0.813 1.191) 2.622 13.757 ( -2.190 0.813 1.191) 2.622 14.284 ( -4.482 -2.466 1.345) 5.290 14.284 ( -4.482 2.466 1.345) 5.290 14.431 ( -3.185 -3.623 -0.750) 4.882 14.431 ( -3.185 3.623 -0.750) 4.882 14.558 ( 2.157 -1.227 -3.759) 4.504 14.558 ( 2.157 1.227 -3.759) 4.504 14.899 ( 2.677 -1.213 0.943) 3.087 14.899 ( 2.677 1.213 0.943) 3.087 17.446 ( -0.494 -0.147 1.160) 1.269 17.446 ( -0.494 0.147 1.160) 1.269 17.658 ( -2.003 -0.640 4.670) 5.122 17.658 ( -2.003 0.640 4.670) 5.122 17.834 ( 2.969 -0.918 -0.557) 3.157 17.834 ( 2.969 0.918 -0.557) 3.157 17.938 ( 4.579 -1.907 -1.494) 5.180 17.938 ( 4.579 1.907 -1.494) 5.180 18.438 ( -3.838 -1.189 0.338) 4.032 18.438 ( -3.838 1.189 0.338) 4.032 18.594 ( 0.265 -0.270 2.264) 2.296 18.594 ( 0.265 0.270 2.264) 2.296 18.791 ( -0.139 -0.903 3.406) 3.526 18.791 ( -0.139 0.903 3.406) 3.526 18.971 ( 0.933 -1.246 1.594) 2.228 18.971 ( 0.933 1.246 1.594) 2.228 19.722 ( 0.844 -6.270 -2.624) 6.849 19.722 ( 0.844 6.270 -2.624) 6.849 19.868 ( 0.448 -2.148 -2.419) 3.266 19.868 ( 0.448 2.148 -2.419) 3.266 19.949 ( -0.047 -0.361 -0.358) 0.510 19.949 ( -0.047 0.361 -0.358) 0.510 20.328 ( 1.047 -1.037 -0.859) 1.706 20.328 ( 1.047 1.037 -0.859) 1.706 20.572 ( -0.279 -0.850 0.310) 0.947 20.572 ( -0.279 0.850 0.310) 0.947 20.723 ( 0.246 -2.159 -0.416) 2.213 20.723 ( 0.246 2.159 -0.416) 2.213 20.909 ( 0.112 -2.515 -0.740) 2.624 20.909 ( 0.112 2.515 -0.740) 2.624 21.176 ( 0.474 -0.357 -2.065) 2.148 21.176 ( 0.474 0.357 -2.065) 2.148 24.551 ( -0.439 -0.511 0.771) 1.024 24.551 ( -0.439 0.511 0.771) 1.024 24.590 ( -0.583 -0.542 -0.304) 0.852 24.590 ( -0.583 0.542 -0.304) 0.852 25.002 ( -0.038 -0.805 1.110) 1.371 25.002 ( -0.038 0.805 1.110) 1.371 25.132 ( -0.171 -0.485 -0.327) 0.609 25.132 ( -0.171 0.485 -0.327) 0.609 28.489 ( -0.876 -0.659 -0.835) 1.378 28.489 ( -0.876 0.659 -0.835) 1.378 28.522 ( 0.514 -1.616 -0.763) 1.860 28.522 ( 0.514 1.616 -0.763) 1.860 28.571 ( 0.596 -0.488 -1.032) 1.288 28.571 ( 0.596 0.488 -1.032) 1.288 28.618 ( 0.552 -0.846 -1.109) 1.500 28.618 ( 0.552 0.846 -1.109) 1.500 35.369 ( -0.192 -0.808 1.758) 1.944 35.369 ( -0.192 0.808 1.758) 1.944 35.697 ( 5.111 -4.585 -7.155) 9.917 35.697 ( 5.111 4.585 -7.155) 9.917 36.318 ( 0.704 -2.022 1.702) 2.735 36.318 ( 0.704 2.022 1.702) 2.735 36.978 ( -4.007 -13.078 -9.247) 16.510 36.978 ( -4.007 13.078 -9.247) 16.510 37.665 ( 1.195 -3.842 1.313) 4.232 37.665 ( 1.195 3.842 1.313) 4.232 38.000 ( 2.491 -2.721 -3.296) 4.947 38.000 ( 2.491 2.721 -3.296) 4.947 38.143 ( -0.673 -3.228 -3.140) 4.553 38.143 ( -0.673 3.228 -3.140) 4.553 38.361 ( 1.110 -3.860 -4.613) 6.117 38.361 ( 1.110 3.860 -4.613) 6.117 38.746 ( 0.318 -3.087 0.493) 3.142 38.746 ( 0.318 3.087 0.493) 3.142 39.128 ( 0.117 -4.204 0.179) 4.210 39.128 ( 0.117 4.204 0.179) 4.210 39.265 ( -1.635 -0.853 -0.220) 1.857 39.265 ( -1.635 0.853 -0.220) 1.857 39.455 ( -2.091 -2.911 -2.804) 4.551 39.455 ( -2.091 2.911 -2.804) 4.551 39.845 ( -1.882 -3.725 0.992) 4.290 39.845 ( -1.882 3.725 0.992) 4.290 40.033 ( 3.546 -3.574 9.736) 10.961 40.033 ( 3.546 3.574 9.736) 10.961 40.499 ( 1.950 -8.191 5.370) 9.987 40.499 ( 1.950 8.191 5.370) 9.987 40.984 ( -4.622 -13.577 -0.469) 14.349 40.984 ( -4.622 13.577 -0.469) 14.349 ======================= Grid point 79 (45/66) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 2.829 -4.333 5.139) 7.293 1.320 ( 2.829 4.333 5.139) 7.293 1.502 ( -5.901 -2.459 3.640) 7.357 1.502 ( -5.901 2.459 3.640) 7.357 1.732 ( 0.038 -5.621 7.561) 9.421 1.732 ( 0.038 5.621 7.561) 9.421 1.861 ( 0.751 -0.918 -1.792) 2.148 1.861 ( 0.751 0.918 -1.792) 2.148 1.984 ( 3.120 -1.740 -0.357) 3.590 1.984 ( 3.120 1.740 -0.357) 3.590 2.077 ( -3.886 -4.532 1.368) 6.124 2.077 ( -3.886 4.532 1.368) 6.124 2.328 ( 2.836 -4.128 -0.809) 5.073 2.328 ( 2.836 4.128 -0.809) 5.073 2.398 ( 0.302 -7.517 2.890) 8.059 2.398 ( 0.302 7.517 2.890) 8.059 2.587 ( -2.479 -6.561 5.202) 8.732 2.587 ( -2.479 6.561 5.202) 8.732 2.699 ( -7.195 -4.358 2.073) 8.664 2.699 ( -7.195 4.358 2.073) 8.664 2.958 ( -0.708 -5.053 -1.031) 5.206 2.958 ( -0.708 5.053 -1.031) 5.206 3.195 ( 1.953 -1.880 -3.866) 4.722 3.195 ( 1.953 1.880 -3.866) 4.722 3.599 ( -1.923 -4.412 3.059) 5.703 3.599 ( -1.923 4.412 3.059) 5.703 3.939 ( 4.379 -3.965 1.601) 6.121 3.939 ( 4.379 3.965 1.601) 6.121 4.109 ( -0.437 -4.281 4.337) 6.110 4.109 ( -0.437 4.281 4.337) 6.110 4.327 ( -2.338 -1.482 4.626) 5.391 4.327 ( -2.338 1.482 4.626) 5.391 4.397 ( -2.920 -1.310 2.547) 4.090 4.397 ( -2.920 1.310 2.547) 4.090 4.537 ( 0.007 -1.546 2.958) 3.337 4.537 ( 0.007 1.546 2.958) 3.337 4.670 ( -0.936 -1.154 1.463) 2.086 4.670 ( -0.936 1.154 1.463) 2.086 4.791 ( -4.125 -9.055 3.235) 10.463 4.791 ( -4.125 9.055 3.235) 10.463 4.940 ( -9.817 -2.702 5.855) 11.745 4.940 ( -9.817 2.702 5.855) 11.745 5.179 ( -0.420 -5.630 7.562) 9.437 5.179 ( -0.420 5.630 7.562) 9.437 5.294 ( -2.645 -5.645 10.244) 11.992 5.294 ( -2.645 5.645 10.244) 11.992 5.440 ( -8.295 -4.328 0.838) 9.394 5.440 ( -8.295 4.328 0.838) 9.394 5.559 ( -2.025 -3.436 1.825) 4.386 5.559 ( -2.025 3.436 1.825) 4.386 5.704 ( -2.136 -4.552 2.365) 5.556 5.704 ( -2.136 4.552 2.365) 5.556 5.891 ( 2.144 -6.733 4.698) 8.486 5.891 ( 2.144 6.733 4.698) 8.486 6.116 ( -0.881 -1.574 8.407) 8.598 6.116 ( -0.881 1.574 8.407) 8.598 6.231 ( 8.181 -0.261 -1.133) 8.263 6.231 ( 8.181 0.261 -1.133) 8.263 6.368 ( -1.788 -2.749 -0.012) 3.279 6.368 ( -1.788 2.749 -0.012) 3.279 6.549 ( -0.842 -2.385 0.886) 2.680 6.549 ( -0.842 2.385 0.886) 2.680 6.666 ( -3.606 -6.305 -1.570) 7.431 6.666 ( -3.606 6.305 -1.570) 7.431 6.949 ( 2.319 -6.723 -2.666) 7.595 6.949 ( 2.319 6.723 -2.666) 7.595 7.101 ( 0.823 -2.251 4.806) 5.370 7.101 ( 0.823 2.251 4.806) 5.370 7.254 ( 4.703 -3.859 -6.078) 8.599 7.254 ( 4.703 3.859 -6.078) 8.599 7.411 ( 5.491 -5.288 0.212) 7.626 7.411 ( 5.491 5.288 0.212) 7.626 7.548 ( 0.833 -3.345 0.026) 3.448 7.548 ( 0.833 3.345 0.026) 3.448 7.760 ( 2.353 -0.860 -2.411) 3.477 7.760 ( 2.353 0.860 -2.411) 3.477 8.072 ( -2.357 -6.573 -7.569) 10.298 8.072 ( -2.357 6.573 -7.569) 10.298 8.097 ( -0.473 -4.389 -6.565) 7.911 8.097 ( -0.473 4.389 -6.565) 7.911 8.337 ( 1.150 -1.972 -0.538) 2.346 8.337 ( 1.150 1.972 -0.538) 2.346 8.481 ( 0.961 -0.782 3.450) 3.666 8.481 ( 0.961 0.782 3.450) 3.666 8.589 ( 0.471 -2.798 0.596) 2.899 8.589 ( 0.471 2.798 0.596) 2.899 8.655 ( -2.183 -7.439 -0.843) 7.798 8.655 ( -2.183 7.439 -0.843) 7.798 8.937 ( 0.009 -0.067 -0.569) 0.573 8.937 ( 0.009 0.067 -0.569) 0.573 9.043 ( -1.952 -3.257 -1.044) 3.938 9.043 ( -1.952 3.257 -1.044) 3.938 9.250 ( 3.165 -1.646 -6.579) 7.484 9.250 ( 3.165 1.646 -6.579) 7.484 9.331 ( 0.543 -4.768 -6.589) 8.152 9.331 ( 0.543 4.768 -6.589) 8.152 9.542 ( -2.277 -5.743 -0.302) 6.185 9.542 ( -2.277 5.743 -0.302) 6.185 9.598 ( -4.794 -4.667 -2.111) 7.016 9.598 ( -4.794 4.667 -2.111) 7.016 9.934 ( 7.756 -1.200 0.939) 7.904 9.934 ( 7.756 1.200 0.939) 7.904 10.094 ( 6.336 -2.231 -3.048) 7.377 10.094 ( 6.336 2.231 -3.048) 7.377 11.447 ( -0.637 -1.411 2.151) 2.650 11.447 ( -0.637 1.411 2.151) 2.650 11.634 ( 0.015 -1.852 -1.829) 2.603 11.634 ( 0.015 1.852 -1.829) 2.603 11.963 ( -2.127 -3.171 2.353) 4.485 11.963 ( -2.127 3.171 2.353) 4.485 12.050 ( 1.646 -0.757 0.620) 1.915 12.050 ( 1.646 0.757 0.620) 1.915 12.488 ( -1.883 -1.342 2.778) 3.614 12.488 ( -1.883 1.342 2.778) 3.614 12.572 ( -1.610 -1.465 5.335) 5.762 12.572 ( -1.610 1.465 5.335) 5.762 12.655 ( 1.368 -1.011 -1.840) 2.506 12.655 ( 1.368 1.011 -1.840) 2.506 12.905 ( -0.170 -1.797 -1.386) 2.275 12.905 ( -0.170 1.797 -1.386) 2.275 13.015 ( 0.671 -2.311 -1.185) 2.682 13.015 ( 0.671 2.311 -1.185) 2.682 13.161 ( 4.105 -1.290 -0.987) 4.414 13.161 ( 4.105 1.290 -0.987) 4.414 13.523 ( 0.637 -1.760 2.252) 2.928 13.523 ( 0.637 1.760 2.252) 2.928 13.727 ( -0.424 -1.465 0.797) 1.721 13.727 ( -0.424 1.465 0.797) 1.721 14.249 ( 1.915 -2.579 -0.887) 3.333 14.249 ( 1.915 2.579 -0.887) 3.333 14.331 ( -5.322 -3.763 0.793) 6.566 14.331 ( -5.322 3.763 0.793) 6.566 14.572 ( -0.080 -1.994 -3.087) 3.676 14.572 ( -0.080 1.994 -3.087) 3.676 14.915 ( -1.523 -1.486 1.853) 2.822 14.915 ( -1.523 1.486 1.853) 2.822 17.456 ( 0.933 -0.264 0.653) 1.169 17.456 ( 0.933 0.264 0.653) 1.169 17.661 ( 0.480 -1.687 2.738) 3.252 17.661 ( 0.480 1.687 2.738) 3.252 17.883 ( 1.202 -1.024 0.631) 1.701 17.883 ( 1.202 1.024 0.631) 1.701 18.027 ( 2.653 -1.694 -0.423) 3.176 18.027 ( 2.653 1.694 -0.423) 3.176 18.370 ( -2.283 -0.461 1.524) 2.783 18.370 ( -2.283 0.461 1.524) 2.783 18.604 ( 0.017 -0.774 2.666) 2.776 18.604 ( 0.017 0.774 2.666) 2.776 18.773 ( -1.988 -0.379 1.126) 2.316 18.773 ( -1.988 0.379 1.126) 2.316 18.948 ( -3.851 -0.996 1.380) 4.210 18.948 ( -3.851 0.996 1.380) 4.210 19.730 ( 1.088 -6.617 -3.116) 7.395 19.730 ( 1.088 6.617 -3.116) 7.395 19.859 ( -0.243 -2.015 -1.893) 2.776 19.859 ( -0.243 2.015 -1.893) 2.776 19.951 ( 0.302 -0.299 -0.358) 0.556 19.951 ( 0.302 0.299 -0.358) 0.556 20.331 ( -0.365 -1.212 -1.241) 1.773 20.331 ( -0.365 1.212 -1.241) 1.773 20.571 ( 0.024 -0.953 0.454) 1.056 20.571 ( 0.024 0.953 0.454) 1.056 20.722 ( -0.126 -2.346 -0.419) 2.387 20.722 ( -0.126 2.346 -0.419) 2.387 20.919 ( 1.197 -2.935 -1.452) 3.487 20.919 ( 1.197 2.935 -1.452) 3.487 21.174 ( 0.313 -0.410 -2.105) 2.167 21.174 ( 0.313 0.410 -2.105) 2.167 24.550 ( 0.178 -0.436 0.988) 1.095 24.550 ( 0.178 0.436 0.988) 1.095 24.607 ( 1.755 -0.399 0.273) 1.821 24.607 ( 1.755 0.399 0.273) 1.821 24.995 ( -0.861 -1.015 0.731) 1.518 24.995 ( -0.861 1.015 0.731) 1.518 25.121 ( -0.638 -0.734 -0.273) 1.010 25.121 ( -0.638 0.734 -0.273) 1.010 28.460 ( -1.229 -0.463 -0.550) 1.424 28.460 ( -1.229 0.463 -0.550) 1.424 28.518 ( -0.122 -0.334 -0.793) 0.869 28.518 ( -0.122 0.334 -0.793) 0.869 28.594 ( 1.477 -1.171 -1.362) 2.326 28.594 ( 1.477 1.171 -1.362) 2.326 28.627 ( 0.661 -0.280 -0.994) 1.225 28.627 ( 0.661 0.280 -0.994) 1.225 35.372 ( -0.178 -0.914 1.442) 1.716 35.372 ( -0.178 0.914 1.442) 1.716 35.682 ( -3.547 -4.275 -6.850) 8.819 35.682 ( -3.547 4.275 -6.850) 8.819 36.320 ( -1.324 -1.929 1.304) 2.679 36.320 ( -1.324 1.929 1.304) 2.679 36.916 ( 2.635 -11.870 -6.508) 13.791 36.916 ( 2.635 11.870 -6.508) 13.791 37.689 ( 0.151 -3.452 1.305) 3.694 37.689 ( 0.151 3.452 1.305) 3.694 37.998 ( -0.630 -4.253 -4.920) 6.534 37.998 ( -0.630 4.253 -4.920) 6.534 38.153 ( 2.577 -0.941 -2.653) 3.816 38.153 ( 2.577 0.941 -2.653) 3.816 38.354 ( 0.190 -2.187 -4.467) 4.978 38.354 ( 0.190 2.187 -4.467) 4.978 38.762 ( 0.828 -3.928 0.354) 4.030 38.762 ( 0.828 3.928 0.354) 4.030 39.053 ( -4.555 -1.678 -0.289) 4.863 39.053 ( -4.555 1.678 -0.289) 4.863 39.318 ( 4.654 -1.669 0.881) 5.022 39.318 ( 4.654 1.669 0.881) 5.022 39.425 ( 0.143 -1.000 -1.548) 1.849 39.425 ( 0.143 1.000 -1.548) 1.849 39.790 ( -3.922 -1.789 2.488) 4.977 39.790 ( -3.922 1.789 2.488) 4.977 40.149 ( 2.752 -3.674 9.061) 10.158 40.149 ( 2.752 3.674 9.061) 10.158 40.551 ( -0.258 -10.755 0.984) 10.803 40.551 ( -0.258 10.755 0.984) 10.803 40.903 ( -1.515 -10.236 2.117) 10.562 40.903 ( -1.515 10.236 2.117) 10.562 ======================= Grid point 85 (46/66) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 3.928 0.000 10.718) 11.415 1.414 ( -5.694 0.000 4.773) 7.430 1.575 ( -4.543 0.000 8.187) 9.363 1.593 ( -6.604 0.000 4.655) 8.080 1.666 ( -0.281 0.000 0.852) 0.897 1.809 ( 3.943 0.000 -2.143) 4.488 1.811 ( -3.006 0.000 0.024) 3.006 1.887 ( 0.566 0.000 -3.750) 3.792 1.945 ( 0.342 0.000 -0.143) 0.371 2.033 ( 2.101 0.000 1.481) 2.571 2.178 ( -0.680 0.000 -1.391) 1.548 2.184 ( -1.024 0.000 -1.713) 1.996 2.277 ( 1.011 0.000 3.709) 3.844 2.328 ( 3.037 0.000 2.805) 4.135 2.455 ( 8.880 0.000 0.062) 8.880 2.560 ( -6.903 0.000 -4.954) 8.497 2.566 ( -11.780 0.000 -0.406) 11.787 2.694 ( 1.479 0.000 3.272) 3.590 2.716 ( -0.724 0.000 -0.253) 0.767 2.794 ( 9.042 0.000 -5.152) 10.407 2.962 ( -6.665 0.000 0.738) 6.706 3.041 ( -1.355 0.000 0.084) 1.358 3.049 ( 5.595 0.000 -1.336) 5.752 3.074 ( -4.706 0.000 -2.564) 5.359 3.504 ( -3.613 0.000 7.945) 8.728 3.561 ( 9.597 0.000 6.268) 11.462 3.772 ( -10.320 0.000 -1.762) 10.469 3.793 ( 1.281 0.000 -3.483) 3.712 4.066 ( 8.661 0.000 6.513) 10.836 4.173 ( -1.838 0.000 1.788) 2.564 4.223 ( 1.242 0.000 0.880) 1.522 4.327 ( 2.287 0.000 -0.348) 2.313 4.534 ( 0.141 0.000 6.288) 6.290 4.567 ( 2.635 0.000 3.302) 4.225 4.664 ( -3.514 0.000 8.113) 8.841 4.667 ( -0.863 0.000 5.032) 5.106 4.745 ( -6.304 0.000 2.207) 6.679 4.760 ( 0.110 0.000 1.469) 1.473 4.816 ( 3.925 0.000 1.427) 4.176 4.826 ( -0.877 0.000 -0.836) 1.212 5.044 ( 0.582 0.000 3.618) 3.664 5.050 ( -5.003 0.000 6.136) 7.917 5.076 ( 0.723 0.000 3.233) 3.313 5.102 ( -2.228 0.000 8.225) 8.522 5.262 ( 3.559 0.000 0.593) 3.608 5.368 ( -4.551 0.000 0.625) 4.593 5.450 ( -0.203 0.000 5.183) 5.187 5.453 ( -1.437 0.000 -1.910) 2.390 5.524 ( 3.607 0.000 -0.416) 3.631 5.666 ( -0.923 0.000 -2.657) 2.813 5.752 ( -3.517 0.000 0.750) 3.597 5.762 ( -7.148 0.000 5.794) 9.201 5.800 ( -4.647 0.000 0.754) 4.707 5.883 ( 0.780 0.000 0.735) 1.072 6.051 ( -10.270 0.000 9.176) 13.772 6.088 ( -2.441 0.000 -5.369) 5.898 6.226 ( -2.671 0.000 -1.157) 2.910 6.254 ( 0.116 0.000 -4.590) 4.591 6.356 ( 10.070 0.000 1.026) 10.122 6.376 ( 3.609 0.000 -6.554) 7.482 6.417 ( -0.391 0.000 4.680) 4.697 6.551 ( 1.304 0.000 -3.268) 3.518 6.609 ( -4.013 0.000 7.102) 8.158 6.837 ( 1.425 0.000 5.445) 5.628 6.896 ( 0.075 0.000 2.244) 2.245 7.028 ( 4.350 0.000 -0.531) 4.382 7.044 ( 3.521 0.000 8.665) 9.353 7.136 ( -1.192 0.000 3.052) 3.277 7.204 ( -1.253 0.000 -7.372) 7.478 7.291 ( 4.500 0.000 -3.687) 5.818 7.335 ( -1.230 0.000 -1.640) 2.051 7.389 ( -0.494 0.000 -0.510) 0.710 7.478 ( 1.185 0.000 -6.814) 6.917 7.510 ( -6.441 0.000 0.829) 6.494 7.567 ( 3.156 0.000 0.454) 3.189 7.727 ( 5.527 0.000 -9.184) 10.719 7.877 ( -1.680 0.000 -4.080) 4.412 7.940 ( 4.137 0.000 -4.336) 5.993 8.112 ( 6.259 0.000 4.376) 7.637 8.198 ( -6.409 0.000 1.948) 6.699 8.222 ( 0.653 0.000 2.414) 2.501 8.246 ( 3.295 0.000 8.907) 9.497 8.467 ( -3.017 0.000 -3.300) 4.472 8.505 ( 1.444 0.000 -6.601) 6.757 8.621 ( 6.007 0.000 8.597) 10.488 8.676 ( -5.276 0.000 -3.176) 6.158 8.744 ( -2.448 0.000 -3.355) 4.153 8.750 ( -4.181 0.000 -0.512) 4.212 8.839 ( 2.244 0.000 -5.337) 5.790 8.967 ( 3.185 0.000 -6.065) 6.850 9.002 ( -5.020 0.000 -2.023) 5.413 9.013 ( 1.231 0.000 -2.638) 2.911 9.235 ( -4.846 0.000 1.693) 5.133 9.312 ( 4.311 0.000 2.443) 4.955 9.344 ( 8.082 0.000 -0.767) 8.118 9.376 ( -0.856 0.000 2.112) 2.279 9.421 ( -0.649 0.000 -4.511) 4.557 9.560 ( -0.056 0.000 0.527) 0.530 9.588 ( -3.424 0.000 -1.799) 3.868 9.667 ( 2.683 0.000 -4.735) 5.442 10.071 ( 2.102 0.000 1.962) 2.875 10.074 ( -0.308 0.000 1.652) 1.681 10.140 ( 2.696 0.000 -0.431) 2.730 10.173 ( -3.086 0.000 -2.569) 4.016 11.511 ( 0.554 0.000 3.483) 3.527 11.535 ( -1.922 0.000 3.023) 3.583 11.629 ( 0.337 0.000 -2.207) 2.232 11.696 ( 0.570 0.000 -4.833) 4.866 11.933 ( -1.012 0.000 2.754) 2.934 11.961 ( 0.148 0.000 2.385) 2.390 11.992 ( 1.057 0.000 -0.385) 1.125 12.071 ( -0.539 0.000 -2.110) 2.178 12.501 ( -4.499 0.000 5.366) 7.003 12.522 ( -3.641 0.000 3.196) 4.844 12.563 ( -0.961 0.000 3.291) 3.429 12.639 ( 0.980 0.000 -0.461) 1.083 12.673 ( -1.721 0.000 5.039) 5.324 12.744 ( -2.446 0.000 -1.834) 3.058 12.805 ( -2.204 0.000 -2.712) 3.494 12.949 ( 9.753 0.000 -7.834) 12.510 12.967 ( -1.053 0.000 -1.388) 1.742 12.979 ( -1.468 0.000 1.386) 2.019 13.154 ( -6.509 0.000 2.949) 7.146 13.206 ( 4.162 0.000 -0.240) 4.169 13.567 ( 0.175 0.000 4.820) 4.823 13.656 ( 3.474 0.000 3.223) 4.739 13.733 ( 4.475 0.000 -1.822) 4.832 13.781 ( 0.905 0.000 -1.674) 1.903 14.202 ( 2.633 0.000 -0.037) 2.633 14.256 ( 4.215 0.000 -2.570) 4.937 14.317 ( -2.803 0.000 0.458) 2.840 14.380 ( 7.266 0.000 -3.143) 7.917 14.473 ( -2.318 0.000 -0.243) 2.330 14.517 ( -1.861 0.000 -2.008) 2.737 14.859 ( -4.464 0.000 1.811) 4.818 14.943 ( 1.016 0.000 -2.743) 2.925 17.492 ( 0.044 0.000 0.473) 0.475 17.497 ( 1.440 0.000 0.189) 1.453 17.675 ( -0.016 0.000 2.691) 2.691 17.744 ( -0.198 0.000 -0.216) 0.293 17.927 ( -1.920 0.000 2.570) 3.208 17.958 ( -2.092 0.000 1.886) 2.817 17.982 ( -4.463 0.000 0.242) 4.470 17.983 ( -1.691 0.000 -0.836) 1.887 18.400 ( 2.436 0.000 1.985) 3.142 18.444 ( 0.982 0.000 -0.193) 1.001 18.644 ( -3.873 0.000 2.013) 4.365 18.652 ( 1.719 0.000 1.831) 2.511 18.737 ( 1.170 0.000 0.352) 1.222 18.759 ( 0.838 0.000 -0.226) 0.868 18.864 ( 0.489 0.000 0.949) 1.068 18.893 ( -2.987 0.000 -0.208) 2.995 19.568 ( -1.412 0.000 4.637) 4.847 19.780 ( 1.581 0.000 -6.254) 6.450 19.804 ( -0.247 0.000 1.367) 1.389 19.867 ( 0.477 0.000 -1.856) 1.916 19.940 ( 0.027 0.000 0.023) 0.036 19.949 ( 0.252 0.000 -0.552) 0.606 20.318 ( -0.492 0.000 0.652) 0.817 20.362 ( -0.032 0.000 -1.646) 1.646 20.536 ( -0.102 0.000 0.792) 0.799 20.550 ( -0.042 0.000 0.232) 0.235 20.683 ( -0.108 0.000 0.695) 0.704 20.751 ( 0.750 0.000 -2.493) 2.604 20.872 ( -0.662 0.000 2.329) 2.421 20.972 ( 0.745 0.000 -2.649) 2.752 21.112 ( 0.348 0.000 -1.149) 1.201 21.132 ( -0.145 0.000 -1.495) 1.502 24.577 ( -0.708 0.000 1.146) 1.347 24.585 ( 1.053 0.000 0.786) 1.314 24.631 ( 0.989 0.000 -0.162) 1.003 24.643 ( -0.771 0.000 -0.254) 0.812 24.968 ( 0.318 0.000 0.586) 0.667 25.005 ( -1.410 0.000 -1.159) 1.825 25.105 ( 1.763 0.000 0.155) 1.770 25.111 ( -0.439 0.000 -0.213) 0.487 28.434 ( 0.137 0.000 -0.484) 0.503 28.447 ( -0.124 0.000 -1.269) 1.275 28.491 ( 1.400 0.000 -0.373) 1.449 28.496 ( -0.733 0.000 -0.259) 0.777 28.558 ( 0.327 0.000 0.048) 0.330 28.590 ( -0.620 0.000 -1.218) 1.367 28.634 ( 0.278 0.000 -0.418) 0.502 28.635 ( 0.149 0.000 -0.489) 0.511 35.392 ( 0.176 0.000 2.651) 2.657 35.421 ( -1.162 0.000 2.628) 2.873 35.507 ( -0.749 0.000 -2.568) 2.675 35.541 ( -0.992 0.000 -4.265) 4.379 36.297 ( -0.571 0.000 0.302) 0.646 36.344 ( 1.402 0.000 -2.299) 2.693 36.636 ( -0.463 0.000 7.236) 7.251 37.112 ( 5.474 0.000 -15.711) 16.637 37.651 ( -2.034 0.000 2.595) 3.298 37.739 ( 1.308 0.000 -2.298) 2.644 37.792 ( 0.349 0.000 -0.016) 0.349 37.912 ( -0.027 0.000 -5.901) 5.901 37.976 ( -1.419 0.000 -0.859) 1.659 38.021 ( 3.031 0.000 -3.862) 4.910 38.376 ( 1.765 0.000 -2.188) 2.811 38.413 ( -1.502 0.000 -2.807) 3.184 38.687 ( 0.652 0.000 3.743) 3.800 38.813 ( -0.905 0.000 -2.893) 3.032 39.038 ( -2.058 0.000 1.132) 2.349 39.053 ( 3.316 0.000 0.094) 3.318 39.324 ( 1.262 0.000 2.355) 2.672 39.398 ( -3.311 0.000 0.681) 3.380 39.403 ( 1.537 0.000 -0.710) 1.693 39.456 ( 4.956 0.000 -2.037) 5.358 39.759 ( -4.444 0.000 3.959) 5.952 39.871 ( -1.962 0.000 -2.443) 3.134 40.012 ( 5.513 0.000 7.030) 8.934 40.241 ( -3.451 0.000 -4.144) 5.393 40.500 ( -1.265 0.000 8.391) 8.486 40.669 ( -5.323 0.000 -2.853) 6.039 40.961 ( -4.023 0.000 10.965) 11.680 41.310 ( 7.977 0.000 -7.203) 10.748 ======================= Grid point 86 (47/66) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -2.379 0.000 9.207) 9.510 1.400 ( -7.069 0.000 7.787) 10.517 1.575 ( -0.183 0.000 8.767) 8.769 1.589 ( 3.722 0.000 4.634) 5.943 1.670 ( 0.607 0.000 4.842) 4.880 1.770 ( -1.699 0.000 0.639) 1.816 1.811 ( 1.911 0.000 1.620) 2.505 1.885 ( -0.144 0.000 -2.618) 2.622 2.007 ( 5.798 0.000 -5.956) 8.312 2.029 ( -0.433 0.000 -5.193) 5.211 2.154 ( -3.438 0.000 6.341) 7.213 2.213 ( 2.374 0.000 -0.029) 2.374 2.298 ( -8.048 0.000 -5.601) 9.806 2.303 ( -9.838 0.000 3.875) 10.574 2.350 ( 2.737 0.000 -1.081) 2.943 2.518 ( 4.155 0.000 -0.976) 4.268 2.613 ( 2.764 0.000 0.996) 2.938 2.648 ( -1.971 0.000 3.137) 3.705 2.715 ( -0.369 0.000 1.666) 1.706 2.829 ( -3.492 0.000 -1.423) 3.771 2.966 ( 5.511 0.000 -4.285) 6.981 2.977 ( 2.658 0.000 -0.398) 2.688 3.102 ( 3.301 0.000 -0.949) 3.435 3.182 ( 6.096 0.000 -0.855) 6.156 3.459 ( -3.908 0.000 5.297) 6.582 3.630 ( -2.582 0.000 2.847) 3.843 3.721 ( -0.915 0.000 1.204) 1.512 3.821 ( 3.771 0.000 2.902) 4.758 4.123 ( -1.602 0.000 -5.767) 5.986 4.187 ( 0.497 0.000 2.902) 2.945 4.254 ( -1.071 0.000 4.262) 4.394 4.362 ( 1.971 0.000 -3.417) 3.945 4.513 ( -8.609 0.000 6.978) 11.082 4.614 ( -0.972 0.000 6.268) 6.343 4.648 ( 8.984 0.000 1.672) 9.138 4.693 ( -5.087 0.000 3.221) 6.021 4.699 ( -5.570 0.000 7.751) 9.544 4.757 ( 2.397 0.000 1.736) 2.959 4.862 ( 4.858 0.000 -3.019) 5.720 4.889 ( 8.947 0.000 -2.225) 9.219 4.998 ( 2.700 0.000 4.444) 5.200 5.136 ( 1.249 0.000 8.878) 8.965 5.140 ( 0.786 0.000 0.680) 1.040 5.162 ( 5.565 0.000 5.984) 8.172 5.314 ( -1.680 0.000 2.424) 2.949 5.358 ( -3.654 0.000 0.583) 3.700 5.431 ( 7.745 0.000 3.236) 8.393 5.486 ( -0.276 0.000 -1.449) 1.475 5.612 ( -2.060 0.000 4.455) 4.908 5.658 ( 3.467 0.000 -0.556) 3.511 5.663 ( 3.847 0.000 -0.703) 3.911 5.750 ( 4.078 0.000 4.749) 6.260 5.791 ( -1.531 0.000 8.973) 9.102 5.911 ( -1.224 0.000 3.974) 4.158 6.006 ( 5.203 0.000 9.863) 11.151 6.051 ( 0.732 0.000 -6.244) 6.286 6.197 ( 0.631 0.000 -3.015) 3.080 6.244 ( -3.164 0.000 2.735) 4.183 6.368 ( -6.778 0.000 7.697) 10.256 6.392 ( -2.159 0.000 -6.373) 6.729 6.529 ( 0.820 0.000 0.678) 1.064 6.530 ( 2.359 0.000 8.246) 8.577 6.639 ( 10.169 0.000 -0.728) 10.195 6.839 ( -3.258 0.000 1.496) 3.585 6.894 ( -1.221 0.000 2.587) 2.861 7.040 ( -5.271 0.000 1.500) 5.480 7.054 ( -4.711 0.000 -6.781) 8.257 7.078 ( -1.128 0.000 -7.197) 7.285 7.155 ( 0.870 0.000 5.683) 5.750 7.220 ( -9.652 0.000 -2.346) 9.933 7.270 ( -6.030 0.000 -2.227) 6.428 7.302 ( -10.701 0.000 2.303) 10.946 7.447 ( 1.686 0.000 -7.666) 7.849 7.569 ( 13.625 0.000 -1.049) 13.665 7.633 ( 3.424 0.000 0.286) 3.436 7.792 ( 4.190 0.000 -4.201) 5.934 7.948 ( 3.736 0.000 -11.610) 12.196 7.981 ( -0.914 0.000 -1.468) 1.730 8.073 ( -2.619 0.000 6.556) 7.060 8.188 ( -0.100 0.000 -0.003) 0.100 8.265 ( -3.991 0.000 4.066) 5.698 8.273 ( -0.505 0.000 0.549) 0.746 8.389 ( -9.071 0.000 2.802) 9.494 8.405 ( 3.759 0.000 -2.993) 4.805 8.535 ( -0.035 0.000 -8.989) 8.989 8.724 ( -5.837 0.000 -3.010) 6.567 8.743 ( 2.485 0.000 -4.602) 5.230 8.762 ( -2.565 0.000 2.602) 3.654 8.849 ( 7.493 0.000 3.809) 8.406 8.975 ( 3.395 0.000 -6.570) 7.395 9.025 ( 5.223 0.000 -3.137) 6.092 9.061 ( 3.173 0.000 0.407) 3.198 9.153 ( -3.261 0.000 2.078) 3.867 9.298 ( -1.928 0.000 -0.123) 1.932 9.390 ( -1.087 0.000 -5.980) 6.078 9.429 ( 3.751 0.000 2.882) 4.730 9.436 ( -1.810 0.000 -1.633) 2.438 9.507 ( -1.547 0.000 1.230) 1.976 9.619 ( 7.033 0.000 -2.373) 7.423 9.733 ( 4.162 0.000 -3.914) 5.713 9.959 ( -11.312 0.000 -2.741) 11.639 9.976 ( -8.019 0.000 1.425) 8.145 10.101 ( -2.999 0.000 0.027) 2.999 10.122 ( -5.006 0.000 -0.787) 5.068 11.509 ( -1.976 0.000 3.531) 4.046 11.535 ( 0.348 0.000 3.190) 3.209 11.642 ( 2.129 0.000 -3.357) 3.975 11.684 ( 0.069 0.000 -3.673) 3.673 11.929 ( -0.287 0.000 1.895) 1.917 11.969 ( -0.622 0.000 3.226) 3.285 11.997 ( -0.813 0.000 -0.023) 0.813 12.055 ( 0.368 0.000 -1.914) 1.949 12.468 ( -0.641 0.000 4.847) 4.889 12.480 ( -0.750 0.000 2.386) 2.501 12.570 ( 0.108 0.000 3.948) 3.950 12.634 ( -2.602 0.000 1.348) 2.930 12.648 ( -0.157 0.000 0.268) 0.311 12.703 ( -1.115 0.000 -0.633) 1.282 12.763 ( -1.099 0.000 2.172) 2.435 12.933 ( -1.481 0.000 -2.824) 3.189 12.987 ( 4.015 0.000 -2.824) 4.909 13.032 ( -0.754 0.000 -0.280) 0.804 13.067 ( -2.681 0.000 0.652) 2.759 13.221 ( -2.083 0.000 -0.813) 2.236 13.606 ( 1.117 0.000 1.373) 1.770 13.721 ( -0.206 0.000 3.618) 3.624 13.765 ( -0.225 0.000 -0.404) 0.463 13.795 ( 0.734 0.000 -0.278) 0.785 14.286 ( 0.664 0.000 -0.512) 0.839 14.299 ( 6.859 0.000 -2.849) 7.427 14.391 ( 7.928 0.000 -6.053) 9.975 14.442 ( -0.074 0.000 0.048) 0.088 14.442 ( -4.765 0.000 -0.656) 4.810 14.481 ( 1.056 0.000 -1.890) 2.165 14.821 ( 1.635 0.000 1.692) 2.353 14.943 ( -0.072 0.000 -1.720) 1.722 17.491 ( -0.350 0.000 0.314) 0.470 17.511 ( -0.688 0.000 0.394) 0.793 17.699 ( 1.599 0.000 1.617) 2.274 17.724 ( -1.337 0.000 1.759) 2.210 17.858 ( -5.736 0.000 3.456) 6.697 17.874 ( -3.841 0.000 3.197) 4.997 17.895 ( -2.403 0.000 0.565) 2.469 17.926 ( -4.125 0.000 -0.732) 4.190 18.457 ( 0.311 0.000 -0.484) 0.576 18.480 ( 3.126 0.000 -0.884) 3.248 18.588 ( -1.536 0.000 1.148) 1.918 18.653 ( -0.766 0.000 0.116) 0.775 18.768 ( 1.853 0.000 3.836) 4.260 18.837 ( 3.713 0.000 2.181) 4.306 18.908 ( 2.486 0.000 1.401) 2.854 18.932 ( 5.322 0.000 -0.957) 5.407 19.564 ( -0.871 0.000 4.617) 4.698 19.781 ( 1.138 0.000 -5.873) 5.982 19.805 ( -0.300 0.000 1.432) 1.463 19.872 ( 0.805 0.000 -2.284) 2.421 19.937 ( -0.257 0.000 -0.024) 0.258 19.949 ( -0.038 0.000 -0.589) 0.590 20.322 ( 0.488 0.000 0.757) 0.900 20.360 ( 0.486 0.000 -1.151) 1.249 20.537 ( -0.138 0.000 0.809) 0.820 20.551 ( 0.054 0.000 0.080) 0.097 20.686 ( 0.120 0.000 0.552) 0.565 20.751 ( 0.292 0.000 -2.259) 2.278 20.874 ( -0.115 0.000 1.900) 1.903 20.968 ( -0.123 0.000 -2.050) 2.054 21.112 ( 0.084 0.000 -0.820) 0.824 21.131 ( 0.716 0.000 -1.626) 1.777 24.560 ( -0.937 0.000 0.822) 1.247 24.594 ( -0.465 0.000 0.444) 0.643 24.602 ( -2.351 0.000 -0.550) 2.414 24.614 ( -2.252 0.000 -0.451) 2.297 24.994 ( 1.249 0.000 1.323) 1.819 25.000 ( 1.238 0.000 -0.308) 1.276 25.114 ( 0.927 0.000 -0.773) 1.207 25.135 ( 0.748 0.000 -0.406) 0.851 28.446 ( 0.455 0.000 -0.923) 1.029 28.448 ( 1.429 0.000 -0.489) 1.511 28.489 ( 0.067 0.000 -0.785) 0.787 28.527 ( 2.355 0.000 -0.255) 2.369 28.562 ( -1.694 0.000 -1.108) 2.024 28.565 ( 0.499 0.000 0.400) 0.639 28.618 ( -1.583 0.000 -0.282) 1.608 28.627 ( -0.539 0.000 -0.910) 1.057 35.402 ( -1.050 0.000 2.797) 2.988 35.415 ( -0.045 0.000 2.839) 2.840 35.502 ( 1.303 0.000 -0.833) 1.547 35.558 ( 4.237 0.000 -6.270) 7.567 36.288 ( -0.348 0.000 0.594) 0.688 36.357 ( 0.721 0.000 -2.472) 2.575 36.666 ( -0.055 0.000 6.328) 6.329 37.115 ( 1.828 0.000 -16.944) 17.042 37.623 ( -1.380 0.000 2.870) 3.185 37.781 ( 3.159 0.000 -3.725) 4.884 37.813 ( 1.473 0.000 0.497) 1.555 37.913 ( 2.172 0.000 -4.922) 5.380 37.934 ( -1.754 0.000 -1.434) 2.266 38.041 ( 0.595 0.000 -3.613) 3.662 38.371 ( -0.753 0.000 -2.764) 2.865 38.408 ( 1.699 0.000 -1.403) 2.203 38.712 ( -0.237 0.000 3.605) 3.613 38.798 ( 0.510 0.000 -2.587) 2.636 39.014 ( -0.250 0.000 0.483) 0.544 39.140 ( 5.031 0.000 -0.341) 5.043 39.313 ( -4.767 0.000 1.181) 4.911 39.329 ( -0.554 0.000 1.513) 1.611 39.369 ( -4.381 0.000 -4.034) 5.955 39.526 ( 1.589 0.000 -3.832) 4.149 39.760 ( 1.606 0.000 5.122) 5.368 39.894 ( 4.479 0.000 2.199) 4.990 40.072 ( -7.449 0.000 -4.976) 8.958 40.125 ( 1.455 0.000 6.356) 6.521 40.502 ( -2.488 0.000 10.009) 10.313 40.649 ( 2.517 0.000 0.420) 2.552 40.918 ( -3.729 0.000 9.151) 9.882 41.368 ( 0.940 0.000 -9.418) 9.465 ======================= Grid point 87 (48/66) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -5.793 0.000 11.679) 13.037 1.399 ( 2.399 0.000 9.713) 10.005 1.611 ( -0.680 0.000 1.693) 1.824 1.613 ( 0.174 0.000 5.798) 5.800 1.783 ( 0.664 0.000 -0.680) 0.951 1.803 ( 7.487 0.000 6.731) 10.068 1.847 ( 0.739 0.000 -1.377) 1.563 1.854 ( -1.585 0.000 -1.234) 2.009 1.987 ( -2.512 0.000 -3.546) 4.346 2.015 ( -4.067 0.000 -5.196) 6.598 2.089 ( -6.340 0.000 3.523) 7.253 2.166 ( 0.040 0.000 1.832) 1.833 2.239 ( 6.205 0.000 -4.141) 7.460 2.261 ( 3.569 0.000 -1.750) 3.975 2.416 ( 0.606 0.000 1.686) 1.792 2.476 ( -3.289 0.000 1.193) 3.499 2.651 ( 1.865 0.000 3.148) 3.658 2.698 ( -2.117 0.000 -1.829) 2.798 2.720 ( 0.445 0.000 1.129) 1.214 2.783 ( 1.782 0.000 -1.053) 2.070 3.015 ( -0.149 0.000 -2.291) 2.296 3.016 ( 1.699 0.000 -3.423) 3.821 3.207 ( 5.577 0.000 -0.484) 5.598 3.235 ( -0.802 0.000 -2.111) 2.258 3.473 ( 3.530 0.000 6.722) 7.592 3.569 ( -11.024 0.000 1.018) 11.071 3.651 ( 1.505 0.000 7.104) 7.261 3.873 ( -1.999 0.000 -0.968) 2.221 4.081 ( 1.446 0.000 -3.122) 3.441 4.127 ( -4.437 0.000 -2.648) 5.168 4.238 ( -1.072 0.000 5.768) 5.867 4.361 ( -3.038 0.000 0.545) 3.087 4.448 ( -1.269 0.000 11.192) 11.263 4.568 ( -3.740 0.000 6.534) 7.529 4.631 ( -3.381 0.000 5.395) 6.367 4.691 ( 1.727 0.000 3.197) 3.633 4.806 ( 0.969 0.000 2.685) 2.855 4.817 ( 3.930 0.000 4.494) 5.970 4.899 ( -0.975 0.000 -3.663) 3.790 4.919 ( -3.908 0.000 -4.989) 6.337 5.078 ( 0.250 0.000 5.731) 5.736 5.096 ( -6.712 0.000 5.455) 8.649 5.225 ( 5.291 0.000 -2.189) 5.726 5.301 ( 1.234 0.000 -2.226) 2.545 5.337 ( 2.147 0.000 2.775) 3.509 5.369 ( 7.615 0.000 1.390) 7.741 5.411 ( -11.255 0.000 0.187) 11.256 5.478 ( 5.032 0.000 1.995) 5.413 5.582 ( -3.895 0.000 5.005) 6.342 5.709 ( 2.731 0.000 1.181) 2.976 5.817 ( 1.655 0.000 4.973) 5.241 5.852 ( 3.161 0.000 8.769) 9.321 5.872 ( 2.588 0.000 4.354) 5.065 5.972 ( 3.655 0.000 2.557) 4.461 6.014 ( -2.465 0.000 -2.403) 3.442 6.130 ( -2.461 0.000 5.980) 6.466 6.194 ( 1.986 0.000 6.237) 6.546 6.197 ( 2.684 0.000 4.246) 5.023 6.285 ( -3.298 0.000 11.205) 11.681 6.346 ( 1.965 0.000 -3.816) 4.293 6.569 ( -2.456 0.000 3.599) 4.357 6.634 ( 7.237 0.000 3.867) 8.206 6.732 ( -12.842 0.000 -6.958) 14.606 6.748 ( -5.516 0.000 -0.992) 5.604 6.874 ( 5.844 0.000 -2.003) 6.178 6.909 ( -0.303 0.000 -10.176) 10.180 6.931 ( -0.434 0.000 -2.334) 2.374 6.977 ( -8.671 0.000 -1.003) 8.729 7.124 ( 3.191 0.000 -3.785) 4.951 7.169 ( 2.386 0.000 0.697) 2.486 7.213 ( 0.902 0.000 5.771) 5.841 7.250 ( 5.110 0.000 1.008) 5.209 7.393 ( -6.926 0.000 -5.085) 8.593 7.678 ( 2.369 0.000 0.431) 2.408 7.760 ( -1.862 0.000 -4.763) 5.115 7.822 ( 3.995 0.000 -1.232) 4.180 7.885 ( -7.722 0.000 5.696) 9.595 7.909 ( -2.459 0.000 -0.077) 2.461 8.095 ( 2.040 0.000 3.621) 4.157 8.168 ( -0.883 0.000 -3.932) 4.030 8.186 ( -3.474 0.000 -2.862) 4.501 8.312 ( 8.355 0.000 -4.104) 9.308 8.371 ( -7.117 0.000 -0.747) 7.156 8.396 ( 2.756 0.000 -1.055) 2.952 8.495 ( 0.627 0.000 -4.266) 4.312 8.636 ( 5.498 0.000 -3.839) 6.705 8.773 ( 2.068 0.000 -2.894) 3.557 8.818 ( 3.280 0.000 -4.316) 5.421 8.926 ( -2.076 0.000 2.102) 2.954 8.969 ( -1.898 0.000 0.605) 1.993 9.060 ( -1.301 0.000 -0.835) 1.546 9.120 ( 4.249 0.000 -1.903) 4.655 9.158 ( 0.962 0.000 1.218) 1.552 9.282 ( -5.296 0.000 1.869) 5.616 9.323 ( 1.458 0.000 -7.840) 7.974 9.367 ( -2.391 0.000 -0.864) 2.542 9.497 ( -0.740 0.000 2.428) 2.538 9.531 ( 4.062 0.000 -0.271) 4.071 9.739 ( 2.519 0.000 -4.250) 4.940 9.739 ( -2.325 0.000 -1.543) 2.790 9.830 ( 3.081 0.000 -0.977) 3.232 9.864 ( -1.148 0.000 -3.737) 3.909 10.020 ( -1.649 0.000 1.042) 1.951 10.043 ( -0.184 0.000 -0.627) 0.654 11.491 ( -1.344 0.000 3.871) 4.098 11.550 ( -0.173 0.000 3.039) 3.044 11.659 ( 0.205 0.000 -3.587) 3.593 11.683 ( 2.022 0.000 -4.020) 4.500 11.936 ( 0.195 0.000 1.488) 1.501 11.962 ( -1.496 0.000 3.470) 3.779 11.977 ( -0.677 0.000 -0.081) 0.682 12.065 ( 1.076 0.000 -1.529) 1.869 12.513 ( 2.586 0.000 0.722) 2.685 12.527 ( 5.303 0.000 1.687) 5.565 12.588 ( -1.136 0.000 4.160) 4.313 12.613 ( 0.592 0.000 2.553) 2.620 12.636 ( -0.899 0.000 -0.149) 0.911 12.675 ( -2.349 0.000 0.266) 2.364 12.783 ( 2.353 0.000 -0.732) 2.465 12.884 ( -2.185 0.000 -3.866) 4.441 13.005 ( 0.408 0.000 -0.225) 0.466 13.041 ( -0.563 0.000 0.633) 0.848 13.106 ( 8.460 0.000 -2.110) 8.719 13.143 ( -4.825 0.000 -0.620) 4.865 13.601 ( -2.517 0.000 5.251) 5.823 13.665 ( -5.622 0.000 4.483) 7.190 13.734 ( -3.535 0.000 1.177) 3.726 13.801 ( -0.718 0.000 1.905) 2.035 14.278 ( -2.085 0.000 1.541) 2.593 14.313 ( -6.392 0.000 2.356) 6.812 14.375 ( -3.678 0.000 -1.109) 3.841 14.440 ( 1.225 0.000 -5.050) 5.196 14.468 ( 3.750 0.000 -2.555) 4.538 14.500 ( 3.140 0.000 -2.819) 4.220 14.902 ( 3.874 0.000 -0.697) 3.936 14.932 ( 0.065 0.000 -2.343) 2.344 17.482 ( -1.708 0.000 1.242) 2.112 17.486 ( -0.372 0.000 1.233) 1.287 17.712 ( -2.852 0.000 2.925) 4.085 17.731 ( 0.053 0.000 2.856) 2.856 17.809 ( 2.455 0.000 0.249) 2.468 17.845 ( 0.065 0.000 1.582) 1.583 17.893 ( 3.023 0.000 -3.600) 4.701 17.924 ( 4.791 0.000 -1.412) 4.995 18.446 ( -1.425 0.000 1.115) 1.810 18.468 ( -2.685 0.000 -0.495) 2.730 18.604 ( 1.510 0.000 0.839) 1.728 18.635 ( -1.164 0.000 -0.222) 1.185 18.838 ( 1.808 0.000 3.418) 3.867 18.870 ( -1.608 0.000 2.996) 3.400 18.933 ( -1.026 0.000 1.186) 1.568 19.006 ( 1.559 0.000 -0.696) 1.708 19.571 ( -0.513 0.000 4.561) 4.589 19.777 ( 1.043 0.000 -6.036) 6.125 19.804 ( -0.359 0.000 1.468) 1.512 19.874 ( 0.380 0.000 -2.240) 2.272 19.933 ( -0.074 0.000 0.125) 0.145 19.944 ( -0.031 0.000 -0.525) 0.526 20.334 ( 0.265 0.000 0.454) 0.526 20.368 ( 0.637 0.000 -1.174) 1.336 20.536 ( -0.232 0.000 0.765) 0.799 20.551 ( -0.018 0.000 0.021) 0.028 20.689 ( -0.156 0.000 0.584) 0.604 20.747 ( 0.274 0.000 -2.211) 2.227 20.879 ( -0.290 0.000 2.054) 2.074 20.959 ( 0.266 0.000 -1.917) 1.935 21.109 ( 0.079 0.000 -0.863) 0.867 21.140 ( 0.782 0.000 -1.676) 1.850 24.554 ( -0.129 0.000 0.761) 0.772 24.566 ( -1.621 0.000 0.351) 1.659 24.582 ( 1.040 0.000 -0.166) 1.053 24.586 ( -0.185 0.000 -0.820) 0.841 25.008 ( -0.634 0.000 1.340) 1.483 25.031 ( 1.365 0.000 0.228) 1.384 25.124 ( -1.594 0.000 -0.257) 1.615 25.130 ( 0.629 0.000 -0.807) 1.024 28.453 ( 0.428 0.000 -0.375) 0.569 28.462 ( -0.348 0.000 -0.688) 0.771 28.502 ( 1.779 0.000 -0.509) 1.850 28.518 ( -2.028 0.000 -1.269) 2.392 28.575 ( 2.432 0.000 -0.171) 2.438 28.577 ( -2.311 0.000 -0.160) 2.316 28.586 ( 1.529 0.000 0.043) 1.529 28.612 ( -0.403 0.000 -1.290) 1.352 35.389 ( -1.033 0.000 2.216) 2.445 35.427 ( -0.274 0.000 3.226) 3.238 35.530 ( 1.482 0.000 -2.001) 2.490 35.621 ( 4.472 0.000 -9.989) 10.945 36.291 ( 0.342 0.000 0.598) 0.689 36.349 ( -0.370 0.000 -2.480) 2.508 36.668 ( -2.453 0.000 6.446) 6.897 37.067 ( 0.813 0.000 -14.042) 14.065 37.632 ( 0.620 0.000 3.935) 3.983 37.810 ( 1.117 0.000 -5.417) 5.531 37.826 ( -0.868 0.000 -0.434) 0.970 37.926 ( 1.459 0.000 -5.172) 5.374 37.929 ( 2.155 0.000 -0.350) 2.183 38.013 ( -1.472 0.000 -4.970) 5.184 38.387 ( 2.833 0.000 -0.822) 2.949 38.415 ( -0.494 0.000 -2.342) 2.394 38.695 ( -2.454 0.000 3.040) 3.906 38.808 ( 1.577 0.000 -2.478) 2.937 39.045 ( 2.175 0.000 2.770) 3.521 39.203 ( -5.756 0.000 -4.945) 7.588 39.237 ( -2.491 0.000 1.040) 2.699 39.251 ( 2.338 0.000 -0.052) 2.338 39.359 ( 2.652 0.000 1.891) 3.257 39.465 ( -4.068 0.000 -3.930) 5.657 39.816 ( 1.230 0.000 4.785) 4.940 39.972 ( 0.643 0.000 -2.624) 2.702 40.058 ( 6.676 0.000 3.301) 7.447 40.090 ( -6.466 0.000 2.629) 6.980 40.489 ( -3.088 0.000 11.335) 11.748 40.743 ( 6.825 0.000 -1.538) 6.996 40.921 ( -0.171 0.000 9.988) 9.989 41.277 ( -5.255 0.000 -9.063) 10.476 ======================= Grid point 88 (49/66) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.561 0.000 13.678) 13.689 1.492 ( -0.448 0.000 2.697) 2.734 1.622 ( 0.793 0.000 2.545) 2.665 1.632 ( 1.286 0.000 9.276) 9.365 1.713 ( -4.371 0.000 -1.424) 4.597 1.751 ( -6.216 0.000 -2.789) 6.813 1.865 ( 2.870 0.000 -3.289) 4.365 1.911 ( -5.886 0.000 2.057) 6.235 1.952 ( -0.071 0.000 -2.772) 2.773 1.990 ( 0.632 0.000 1.962) 2.061 2.057 ( 10.882 0.000 0.248) 10.885 2.232 ( 2.814 0.000 1.669) 3.271 2.255 ( -3.157 0.000 1.539) 3.512 2.339 ( -1.439 0.000 -2.735) 3.091 2.412 ( -1.482 0.000 1.084) 1.836 2.525 ( 8.581 0.000 -2.534) 8.948 2.648 ( 2.941 0.000 2.126) 3.629 2.663 ( -0.117 0.000 1.339) 1.345 2.730 ( -3.399 0.000 2.253) 4.078 2.768 ( -2.898 0.000 -5.675) 6.373 2.998 ( 1.378 0.000 -2.251) 2.639 3.023 ( -0.214 0.000 -1.552) 1.567 3.129 ( -7.988 0.000 -2.744) 8.446 3.222 ( -4.092 0.000 -1.655) 4.414 3.434 ( -0.939 0.000 3.620) 3.740 3.547 ( -2.559 0.000 8.110) 8.504 3.786 ( 9.754 0.000 8.221) 12.757 3.810 ( -1.511 0.000 -4.119) 4.387 4.009 ( -6.905 0.000 -3.262) 7.637 4.125 ( 2.126 0.000 4.738) 5.193 4.253 ( -1.134 0.000 1.768) 2.100 4.299 ( -1.371 0.000 3.839) 4.077 4.512 ( 0.762 0.000 11.074) 11.100 4.551 ( -1.409 0.000 4.437) 4.655 4.632 ( 0.808 0.000 8.830) 8.867 4.725 ( -2.613 0.000 2.950) 3.941 4.734 ( -4.778 0.000 4.124) 6.312 4.787 ( -3.205 0.000 -1.077) 3.381 4.826 ( 0.652 0.000 -5.399) 5.438 4.934 ( -4.689 0.000 1.997) 5.097 5.015 ( 1.533 0.000 -0.995) 1.828 5.068 ( -4.480 0.000 7.742) 8.944 5.152 ( -9.721 0.000 -1.518) 9.839 5.163 ( -7.804 0.000 6.687) 10.277 5.288 ( 0.586 0.000 -0.315) 0.665 5.391 ( 2.084 0.000 -0.804) 2.234 5.458 ( -4.388 0.000 4.739) 6.459 5.506 ( -6.067 0.000 5.182) 7.979 5.592 ( 7.739 0.000 -2.592) 8.162 5.656 ( -9.558 0.000 -2.904) 9.989 5.798 ( -4.153 0.000 8.316) 9.296 5.817 ( -5.430 0.000 9.744) 11.155 5.950 ( -4.799 0.000 1.151) 4.935 6.006 ( -8.553 0.000 -5.859) 10.367 6.006 ( 14.334 0.000 -2.426) 14.538 6.148 ( 1.905 0.000 5.128) 5.470 6.224 ( 1.947 0.000 -0.277) 1.966 6.251 ( -2.823 0.000 6.873) 7.430 6.332 ( -2.326 0.000 -9.144) 9.435 6.360 ( 1.004 0.000 -1.216) 1.577 6.449 ( -2.586 0.000 -1.747) 3.121 6.573 ( -6.799 0.000 -1.985) 7.083 6.586 ( 0.128 0.000 9.394) 9.395 6.764 ( 3.745 0.000 4.910) 6.175 6.896 ( -0.089 0.000 -3.269) 3.270 6.930 ( 2.664 0.000 3.602) 4.480 6.931 ( 1.047 0.000 5.603) 5.700 7.097 ( 13.413 0.000 -3.326) 13.819 7.206 ( -7.583 0.000 2.938) 8.133 7.229 ( 5.693 0.000 -3.938) 6.922 7.295 ( 3.479 0.000 2.157) 4.093 7.311 ( 14.009 0.000 -7.461) 15.872 7.372 ( 5.721 0.000 -4.631) 7.361 7.611 ( -8.735 0.000 -0.530) 8.751 7.653 ( -5.622 0.000 -4.675) 7.312 7.736 ( -4.971 0.000 -3.605) 6.141 7.873 ( 4.552 0.000 4.236) 6.218 8.001 ( -0.830 0.000 1.283) 1.528 8.058 ( 4.062 0.000 3.682) 5.482 8.078 ( -5.769 0.000 3.218) 6.605 8.255 ( -2.403 0.000 -4.200) 4.839 8.259 ( 1.999 0.000 -0.027) 1.999 8.417 ( 4.716 0.000 3.882) 6.108 8.453 ( 4.587 0.000 -3.643) 5.858 8.509 ( 1.157 0.000 -5.586) 5.705 8.779 ( 6.736 0.000 -2.988) 7.369 8.785 ( -2.211 0.000 2.941) 3.679 8.842 ( 0.693 0.000 -5.357) 5.402 8.854 ( -4.486 0.000 -2.445) 5.109 8.935 ( 0.030 0.000 -2.280) 2.280 9.033 ( -1.400 0.000 -1.976) 2.421 9.111 ( -5.622 0.000 -1.661) 5.862 9.195 ( 4.972 0.000 -1.375) 5.159 9.213 ( 2.677 0.000 0.436) 2.712 9.309 ( -2.547 0.000 -0.865) 2.690 9.354 ( 2.226 0.000 -1.025) 2.450 9.487 ( -4.996 0.000 -1.265) 5.154 9.548 ( 2.661 0.000 2.219) 3.464 9.672 ( -5.409 0.000 -3.154) 6.262 9.686 ( -1.672 0.000 -3.710) 4.069 9.955 ( 7.242 0.000 2.559) 7.681 9.959 ( 9.453 0.000 -2.877) 9.881 10.071 ( 3.986 0.000 2.088) 4.500 10.139 ( 6.804 0.000 -2.115) 7.125 11.491 ( -0.206 0.000 3.767) 3.773 11.552 ( -1.009 0.000 2.919) 3.088 11.642 ( -0.450 0.000 -2.340) 2.383 11.699 ( 1.366 0.000 -5.236) 5.411 11.943 ( -1.010 0.000 3.104) 3.264 11.950 ( -0.227 0.000 1.862) 1.875 11.976 ( 0.574 0.000 -0.385) 0.692 12.078 ( 0.689 0.000 -1.695) 1.830 12.553 ( 0.410 0.000 0.791) 0.891 12.572 ( -1.577 0.000 3.585) 3.916 12.583 ( -5.276 0.000 4.179) 6.731 12.622 ( 1.551 0.000 -2.987) 3.365 12.653 ( 0.917 0.000 5.481) 5.557 12.720 ( 10.081 0.000 -0.818) 10.114 12.820 ( -1.719 0.000 -5.963) 6.206 12.824 ( 2.155 0.000 -4.664) 5.138 13.019 ( -2.681 0.000 1.168) 2.924 13.034 ( -2.228 0.000 -2.236) 3.157 13.093 ( 4.548 0.000 1.405) 4.760 13.228 ( 0.956 0.000 1.263) 1.583 13.572 ( -2.936 0.000 7.955) 8.479 13.608 ( -0.693 0.000 5.036) 5.083 13.670 ( -0.708 0.000 -0.974) 1.204 13.784 ( -1.105 0.000 0.906) 1.429 14.211 ( -3.954 0.000 2.276) 4.562 14.239 ( -1.613 0.000 0.750) 1.778 14.310 ( -0.319 0.000 -0.225) 0.391 14.397 ( -3.872 0.000 -1.256) 4.070 14.513 ( -0.629 0.000 -1.986) 2.084 14.527 ( 2.238 0.000 -3.715) 4.337 14.923 ( -1.566 0.000 -0.068) 1.568 14.932 ( 1.169 0.000 -3.392) 3.587 17.473 ( 0.397 0.000 0.842) 0.931 17.488 ( -0.033 0.000 1.307) 1.308 17.675 ( -1.478 0.000 3.248) 3.568 17.736 ( 0.392 0.000 0.579) 0.699 17.891 ( 4.311 0.000 -0.386) 4.328 17.906 ( 4.334 0.000 0.261) 4.342 17.971 ( 4.561 0.000 -2.917) 5.414 18.012 ( 2.705 0.000 -1.607) 3.146 18.407 ( -3.141 0.000 1.632) 3.540 18.428 ( -0.391 0.000 1.928) 1.967 18.616 ( -0.093 0.000 0.385) 0.396 18.638 ( 1.884 0.000 0.485) 1.945 18.810 ( -5.768 0.000 2.107) 6.141 18.812 ( -4.527 0.000 1.772) 4.862 18.890 ( -2.831 0.000 0.607) 2.895 18.980 ( -3.667 0.000 -0.429) 3.692 19.575 ( -1.131 0.000 4.574) 4.712 19.775 ( 1.472 0.000 -6.342) 6.511 19.804 ( -0.305 0.000 1.403) 1.436 19.870 ( 0.098 0.000 -1.859) 1.861 19.936 ( 0.238 0.000 0.183) 0.300 19.945 ( 0.280 0.000 -0.500) 0.573 20.331 ( -0.730 0.000 0.335) 0.803 20.369 ( 0.115 0.000 -1.681) 1.685 20.535 ( -0.195 0.000 0.756) 0.781 20.551 ( -0.103 0.000 0.177) 0.205 20.685 ( -0.403 0.000 0.729) 0.833 20.746 ( 0.689 0.000 -2.423) 2.519 20.878 ( -0.801 0.000 2.464) 2.591 20.964 ( 1.061 0.000 -2.510) 2.725 21.109 ( 0.350 0.000 -1.200) 1.250 21.142 ( 0.007 0.000 -1.573) 1.573 24.560 ( 0.693 0.000 0.712) 0.994 24.568 ( 0.870 0.000 1.219) 1.498 24.598 ( 1.737 0.000 -0.614) 1.842 24.623 ( 2.347 0.000 -0.005) 2.347 24.985 ( -1.740 0.000 0.554) 1.826 25.038 ( -0.805 0.000 -0.589) 0.998 25.092 ( -0.890 0.000 0.379) 0.967 25.125 ( -0.690 0.000 -0.215) 0.723 28.444 ( -0.812 0.000 -0.620) 1.022 28.456 ( -0.063 0.000 -0.533) 0.537 28.483 ( -0.644 0.000 -1.114) 1.287 28.520 ( -1.092 0.000 0.341) 1.144 28.548 ( 0.471 0.000 -0.651) 0.804 28.601 ( -0.076 0.000 -1.421) 1.423 28.616 ( 1.568 0.000 -0.120) 1.573 28.618 ( 1.559 0.000 -0.415) 1.613 35.384 ( -0.394 0.000 2.165) 2.200 35.429 ( -0.797 0.000 2.919) 3.026 35.530 ( -0.292 0.000 -2.850) 2.865 35.612 ( -1.337 0.000 -9.268) 9.364 36.300 ( 0.191 0.000 0.310) 0.364 36.334 ( 0.258 0.000 -2.159) 2.175 36.639 ( -2.875 0.000 7.365) 7.906 37.061 ( 4.521 0.000 -12.467) 13.261 37.660 ( 0.001 0.000 3.680) 3.680 37.767 ( -2.088 0.000 -4.643) 5.091 37.799 ( -0.913 0.000 -0.693) 1.146 37.954 ( -0.915 0.000 -4.778) 4.865 37.965 ( 3.391 0.000 -5.630) 6.572 37.977 ( 1.658 0.000 0.109) 1.662 38.379 ( -0.975 0.000 -3.411) 3.548 38.430 ( 1.078 0.000 -1.363) 1.738 38.672 ( -0.931 0.000 3.527) 3.648 38.831 ( 1.178 0.000 -2.787) 3.025 39.054 ( -4.281 0.000 -1.468) 4.525 39.070 ( -1.497 0.000 3.122) 3.462 39.255 ( 3.460 0.000 1.622) 3.821 39.338 ( 4.579 0.000 -0.225) 4.585 39.408 ( 0.166 0.000 -2.055) 2.061 39.417 ( 1.195 0.000 1.916) 2.258 39.843 ( -1.505 0.000 4.648) 4.886 39.941 ( -2.352 0.000 -4.259) 4.865 39.952 ( -5.300 0.000 2.391) 5.814 40.205 ( 5.689 0.000 2.127) 6.074 40.487 ( -1.548 0.000 9.540) 9.665 40.814 ( -2.005 0.000 -6.893) 7.179 40.963 ( -0.997 0.000 11.662) 11.705 41.187 ( 3.239 0.000 -5.330) 6.237 ======================= Grid point 89 (50/66) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -5.665 -1.381 6.425) 8.676 1.433 ( 0.531 0.724 6.584) 6.645 1.546 ( -2.594 -3.032 4.357) 5.908 1.584 ( -3.191 -0.437 5.767) 6.606 1.733 ( 0.006 4.834 3.890) 6.205 1.764 ( 0.213 1.287 -0.813) 1.537 1.876 ( -3.617 -0.071 1.276) 3.836 1.899 ( 2.717 2.953 -2.060) 4.510 1.960 ( -1.935 0.854 -1.039) 2.357 2.033 ( 1.396 0.634 0.771) 1.716 2.085 ( 2.298 -3.478 0.616) 4.213 2.111 ( -1.726 -6.180 1.999) 6.721 2.300 ( -2.725 1.715 0.826) 3.324 2.418 ( 4.840 2.434 -3.810) 6.623 2.453 ( 7.863 2.390 3.984) 9.133 2.486 ( -5.953 -4.566 -2.227) 7.826 2.526 ( -6.340 -2.797 -2.096) 7.240 2.646 ( 1.498 -2.406 -2.291) 3.644 2.754 ( -0.616 0.671 2.971) 3.108 2.802 ( 4.394 -2.947 0.564) 5.320 2.887 ( -1.463 -2.359 2.490) 3.729 2.976 ( -1.419 -2.679 -1.031) 3.202 3.045 ( -2.492 1.376 -1.265) 3.115 3.131 ( 0.005 0.540 -4.434) 4.467 3.618 ( -1.848 6.910 4.994) 8.723 3.653 ( 5.773 5.806 7.119) 10.850 3.843 ( 1.137 4.719 -5.106) 7.046 3.859 ( -4.529 5.905 -2.739) 7.930 4.098 ( 4.091 3.996 4.730) 7.421 4.213 ( -3.211 2.167 -0.980) 3.996 4.328 ( 0.943 2.063 1.942) 2.985 4.347 ( 2.908 6.336 0.454) 6.986 4.488 ( -1.958 -4.196 10.011) 11.030 4.577 ( 1.708 -1.583 2.096) 3.133 4.600 ( 0.169 -5.686 4.265) 7.110 4.637 ( 0.674 -1.964 4.063) 4.563 4.676 ( -1.829 0.495 5.150) 5.488 4.771 ( 1.250 -2.516 0.554) 2.863 4.801 ( 2.656 -1.092 3.397) 4.448 4.841 ( -4.678 1.501 4.475) 6.645 4.880 ( -1.501 -7.771 2.299) 8.241 5.038 ( -0.536 -0.231 -2.267) 2.341 5.173 ( -0.240 5.922 3.331) 6.799 5.199 ( 0.083 7.909 7.304) 10.766 5.345 ( 0.356 4.221 0.053) 4.237 5.384 ( -5.970 -0.549 -1.851) 6.274 5.417 ( -2.472 2.034 1.563) 3.562 5.454 ( 0.196 -0.239 3.884) 3.896 5.558 ( 1.529 0.604 3.195) 3.594 5.694 ( 0.129 -0.020 -0.981) 0.989 5.697 ( -5.835 -3.399 7.856) 10.360 5.765 ( -0.246 -4.992 8.238) 9.636 5.845 ( -4.079 0.427 1.201) 4.274 5.897 ( -7.335 5.385 2.433) 9.419 5.976 ( -3.912 0.012 1.142) 4.076 6.180 ( -2.155 -3.526 -7.741) 8.775 6.210 ( -0.621 4.257 -4.561) 6.270 6.240 ( 0.094 3.182 -2.385) 3.978 6.396 ( 4.977 1.545 4.976) 7.206 6.406 ( 3.132 1.852 1.753) 4.039 6.511 ( 2.855 3.673 1.895) 5.023 6.606 ( -2.640 7.371 0.497) 7.845 6.615 ( -0.171 -1.158 0.288) 1.205 6.765 ( -1.111 -3.140 3.793) 5.048 6.925 ( 4.172 -2.579 1.113) 5.029 6.945 ( 0.103 -0.836 2.494) 2.633 7.019 ( -3.335 -0.877 3.218) 4.717 7.126 ( -2.538 0.311 -2.291) 3.433 7.199 ( -0.043 -1.839 0.327) 1.868 7.324 ( 1.406 -1.016 -4.037) 4.394 7.356 ( 6.198 4.566 -1.071) 7.773 7.449 ( 3.603 1.741 -5.907) 7.135 7.501 ( -0.962 -1.746 -1.250) 2.353 7.564 ( -1.928 8.399 0.820) 8.656 7.693 ( -1.285 7.992 1.396) 8.214 7.781 ( 5.169 1.931 -8.295) 9.963 7.865 ( 3.521 4.294 -4.369) 7.066 7.989 ( 4.528 -0.508 -3.676) 5.854 8.081 ( 2.592 1.225 0.342) 2.887 8.143 ( -3.641 -2.469 1.650) 4.698 8.221 ( -1.163 -4.939 1.663) 5.339 8.304 ( 3.309 4.243 1.407) 5.562 8.416 ( -6.604 3.670 2.384) 7.922 8.540 ( 2.700 -5.825 -8.612) 10.742 8.591 ( -3.364 -2.374 1.557) 4.402 8.639 ( 6.053 -0.127 5.582) 8.235 8.693 ( 0.669 -1.808 -1.636) 2.528 8.768 ( -4.789 0.581 -0.336) 4.836 8.846 ( 0.320 -2.393 -1.836) 3.033 8.872 ( -1.969 -4.148 -4.835) 6.667 9.017 ( -1.618 1.234 -2.499) 3.223 9.084 ( 2.614 3.354 -5.952) 7.315 9.163 ( -2.793 -4.254 2.378) 5.616 9.262 ( 0.202 -4.641 -1.012) 4.755 9.330 ( 7.692 -2.189 -0.227) 8.001 9.352 ( 2.615 -1.869 4.219) 5.304 9.400 ( -1.329 -0.058 -3.983) 4.199 9.505 ( -1.461 -3.349 -0.435) 3.680 9.547 ( -2.485 -2.705 -0.853) 3.771 9.628 ( 1.759 -3.604 -4.737) 6.206 10.059 ( -0.128 -0.590 2.000) 2.089 10.092 ( 0.541 1.315 0.480) 1.501 10.108 ( 1.026 -2.120 -0.138) 2.359 10.162 ( -0.036 -1.034 -1.934) 2.193 11.498 ( 0.235 -0.824 3.135) 3.250 11.516 ( -1.429 -1.316 2.867) 3.463 11.605 ( 0.417 -1.399 -1.892) 2.390 11.651 ( 0.492 -3.089 -3.287) 4.538 11.947 ( -0.825 0.922 2.820) 3.079 11.980 ( 0.034 1.527 0.615) 1.647 12.030 ( -0.017 2.000 -0.026) 2.000 12.070 ( 0.081 -0.037 -1.479) 1.481 12.486 ( -3.693 0.070 4.442) 5.777 12.527 ( -3.246 -0.548 3.204) 4.594 12.579 ( -1.504 1.451 1.706) 2.698 12.634 ( 1.462 -0.838 -1.608) 2.329 12.656 ( -0.467 -1.050 4.702) 4.840 12.707 ( -1.785 -2.363 0.620) 3.026 12.813 ( -2.907 0.494 -2.679) 3.984 12.904 ( 2.389 -2.350 -5.580) 6.509 12.976 ( 0.297 0.608 1.479) 1.626 13.010 ( 0.326 0.934 -2.111) 2.332 13.165 ( -4.206 1.022 2.212) 4.861 13.202 ( 2.727 -0.359 0.132) 2.754 13.595 ( 1.387 2.161 3.967) 4.726 13.661 ( 3.121 0.122 3.090) 4.394 13.733 ( 4.279 0.159 -1.840) 4.660 13.772 ( 1.255 -0.820 -1.604) 2.195 14.221 ( 2.179 1.595 -0.413) 2.732 14.264 ( 3.454 0.713 -2.275) 4.197 14.307 ( -1.718 -0.768 0.453) 1.935 14.359 ( 6.537 -1.833 -2.414) 7.205 14.468 ( -2.035 0.205 -0.651) 2.146 14.517 ( -1.323 -0.598 -2.785) 3.141 14.869 ( -3.630 1.014 1.770) 4.163 14.933 ( 0.087 -0.957 -1.647) 1.907 17.485 ( 0.324 -0.392 0.495) 0.710 17.493 ( 0.861 -0.440 0.070) 0.969 17.690 ( 0.222 1.137 2.247) 2.528 17.736 ( 0.012 -0.678 0.308) 0.745 17.915 ( -1.760 -0.533 2.515) 3.116 17.936 ( -3.021 -1.331 2.046) 3.884 17.994 ( -1.490 1.026 -0.107) 1.812 18.003 ( -3.959 0.696 -0.049) 4.020 18.406 ( 2.543 0.570 1.762) 3.146 18.439 ( 1.683 -0.469 0.065) 1.748 18.647 ( -3.492 0.257 2.031) 4.048 18.655 ( 0.240 0.155 1.815) 1.837 18.744 ( 1.642 0.527 0.202) 1.736 18.758 ( 1.218 -0.061 -0.237) 1.242 18.874 ( -0.390 0.692 0.839) 1.155 18.893 ( -2.728 -0.026 0.051) 2.729 19.603 ( -0.901 2.952 2.652) 4.069 19.755 ( 1.224 -2.233 -5.085) 5.687 19.814 ( -0.107 0.804 0.738) 1.096 19.857 ( 0.357 -0.757 -1.449) 1.673 19.943 ( 0.082 0.268 -0.118) 0.304 19.949 ( 0.225 0.027 -0.482) 0.533 20.303 ( -0.492 -0.834 0.411) 1.052 20.335 ( -0.053 -1.874 -1.193) 2.222 20.558 ( -0.107 1.500 0.676) 1.649 20.570 ( 0.039 1.270 0.056) 1.272 20.687 ( -0.161 0.498 0.614) 0.807 20.740 ( 0.411 -1.000 -1.773) 2.077 20.880 ( -0.305 0.761 1.325) 1.559 20.950 ( 0.602 -1.722 -2.026) 2.726 21.123 ( 0.359 0.725 -1.329) 1.556 21.135 ( 0.012 0.185 -1.539) 1.550 24.577 ( -0.288 0.078 1.103) 1.143 24.586 ( 0.644 -0.051 0.653) 0.918 24.632 ( 0.600 0.109 -0.032) 0.610 24.642 ( -0.283 -0.130 -0.306) 0.437 24.972 ( 0.184 0.347 0.414) 0.570 24.997 ( -0.947 -0.585 -0.766) 1.351 25.108 ( 1.139 0.189 0.005) 1.154 25.111 ( -0.274 0.035 -0.194) 0.337 28.433 ( 0.088 0.275 -0.075) 0.299 28.458 ( 0.385 0.317 -0.978) 1.098 28.482 ( 0.080 -0.191 -0.465) 0.509 28.499 ( 0.219 -0.054 -0.798) 0.829 28.568 ( 0.382 0.835 -0.121) 0.926 28.591 ( -0.472 0.131 -1.110) 1.213 28.621 ( -0.287 -0.783 -0.278) 0.879 28.629 ( 0.489 -0.658 -0.711) 1.085 35.397 ( 0.014 0.400 2.564) 2.595 35.417 ( -0.936 -0.305 2.524) 2.710 35.510 ( -0.715 0.293 -2.587) 2.700 35.535 ( -0.870 -0.518 -3.845) 3.977 36.301 ( -0.607 1.109 1.685) 2.106 36.370 ( -0.121 0.517 0.257) 0.590 36.680 ( 1.550 4.604 1.267) 5.020 37.025 ( 5.401 -7.007 -13.490) 16.132 37.663 ( -2.046 1.025 2.185) 3.164 37.726 ( -0.455 -1.163 -0.770) 1.467 37.826 ( 0.950 2.308 -1.738) 3.041 37.908 ( 0.330 -0.759 -5.574) 5.636 38.038 ( -0.339 5.157 -1.266) 5.321 38.072 ( 2.215 4.429 -3.024) 5.802 38.337 ( 1.396 -3.362 -2.111) 4.208 38.364 ( -0.786 -3.975 -2.399) 4.709 38.710 ( 0.166 1.797 2.246) 2.881 38.797 ( -1.013 -1.409 -2.283) 2.868 39.034 ( -1.130 -0.246 1.209) 1.673 39.045 ( 2.560 -0.590 0.375) 2.654 39.354 ( 1.095 2.229 1.526) 2.915 39.403 ( -2.776 0.387 0.298) 2.819 39.418 ( 1.005 0.871 -0.159) 1.339 39.449 ( 4.539 -0.673 -1.306) 4.771 39.790 ( -1.614 2.559 4.309) 5.265 39.891 ( -0.518 0.561 0.677) 1.021 40.024 ( 1.450 2.038 2.849) 3.791 40.219 ( -5.764 -2.362 -4.320) 7.581 40.539 ( -2.037 3.024 6.741) 7.664 40.640 ( -2.166 -1.677 1.334) 3.047 40.933 ( -2.516 -1.434 7.931) 8.444 41.201 ( 6.587 -8.829 -5.094) 12.137 ======================= Grid point 90 (51/66) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -3.072 -1.548 9.044) 9.676 1.415 ( -3.676 -1.888 5.090) 6.556 1.595 ( 1.726 1.853 8.122) 8.508 1.611 ( 4.447 0.787 4.434) 6.328 1.734 ( -1.068 5.230 4.084) 6.721 1.755 ( -1.334 1.136 4.540) 4.867 1.840 ( 0.557 -0.121 -0.079) 0.575 1.900 ( -0.999 1.514 -2.498) 3.088 1.944 ( 0.580 -3.749 -2.752) 4.687 2.014 ( -0.275 -0.112 0.255) 0.392 2.099 ( -0.578 -7.409 0.448) 7.445 2.159 ( 0.021 -1.757 2.757) 3.269 2.248 ( -3.481 -0.380 -3.527) 4.970 2.302 ( -7.120 -1.040 2.499) 7.617 2.395 ( -1.621 1.559 -1.349) 2.622 2.507 ( 0.612 -1.371 -2.383) 2.817 2.605 ( 2.576 -0.415 0.639) 2.686 2.688 ( 4.372 0.112 0.573) 4.411 2.722 ( -1.169 5.084 3.769) 6.435 2.825 ( -1.790 0.452 -2.190) 2.864 2.951 ( 4.116 -2.624 -1.094) 5.003 2.994 ( 1.990 -1.834 -0.341) 2.728 3.018 ( 3.589 -2.056 -0.138) 4.138 3.165 ( 3.025 -2.512 -2.623) 4.726 3.601 ( -1.724 9.446 5.647) 11.140 3.716 ( -0.321 6.061 0.138) 6.071 3.821 ( -3.205 5.994 -1.870) 7.049 3.875 ( 4.759 4.650 3.257) 7.408 4.121 ( -2.239 -1.421 -0.657) 2.733 4.159 ( -2.462 -0.517 -0.873) 2.663 4.320 ( -1.986 -0.159 -1.213) 2.332 4.371 ( -0.781 4.128 -0.302) 4.212 4.463 ( -2.419 -0.894 6.490) 6.983 4.580 ( -0.820 -5.003 6.256) 8.053 4.608 ( -2.838 0.966 2.111) 3.666 4.662 ( 0.931 1.226 6.127) 6.317 4.720 ( -0.151 -4.039 3.593) 5.408 4.806 ( 5.654 -0.508 2.022) 6.026 4.879 ( 5.360 -1.048 -2.083) 5.845 4.926 ( 8.790 3.590 1.280) 9.581 4.992 ( 6.538 0.361 2.564) 7.032 5.062 ( 1.037 -0.022 3.880) 4.016 5.176 ( 1.868 1.053 3.731) 4.303 5.210 ( 0.353 3.686 1.898) 4.161 5.275 ( -1.582 -0.359 2.933) 3.352 5.402 ( -0.132 2.734 6.452) 7.008 5.451 ( 3.067 0.895 -0.246) 3.205 5.498 ( 0.537 0.672 1.744) 1.945 5.607 ( -1.229 0.743 1.642) 2.181 5.627 ( -1.624 1.476 4.754) 5.236 5.719 ( 2.489 -0.489 6.669) 7.135 5.742 ( -0.738 -2.393 3.013) 3.918 5.829 ( 2.628 -0.415 7.062) 7.547 5.907 ( 1.431 3.134 -1.043) 3.599 5.934 ( 3.428 -4.288 7.807) 9.544 6.130 ( -2.240 0.182 -4.257) 4.814 6.210 ( 1.529 3.769 -0.974) 4.183 6.288 ( 3.766 4.122 2.583) 6.152 6.406 ( -7.861 3.196 3.322) 9.113 6.439 ( -0.120 4.136 -4.030) 5.776 6.546 ( -2.953 1.629 6.997) 7.767 6.570 ( 3.135 -0.636 2.753) 4.220 6.633 ( 3.515 1.227 -1.084) 3.878 6.772 ( 0.575 -5.084 3.586) 6.248 6.898 ( -4.622 -1.569 1.898) 5.237 6.950 ( -0.704 1.036 -1.656) 2.076 6.982 ( -2.368 -2.327 -6.500) 7.299 7.070 ( -0.410 -0.055 1.999) 2.041 7.184 ( -2.993 -2.107 -0.464) 3.690 7.265 ( -5.142 0.247 4.130) 6.600 7.319 ( -7.234 4.882 -0.950) 8.779 7.419 ( -5.847 4.324 -4.108) 8.352 7.498 ( 2.168 5.148 -7.071) 9.011 7.654 ( 6.608 6.628 -2.519) 9.692 7.687 ( 4.075 6.852 1.497) 8.112 7.831 ( 1.291 0.451 -6.391) 6.536 7.915 ( 2.710 -1.779 -6.701) 7.444 8.022 ( -1.553 2.856 -1.062) 3.420 8.104 ( -3.170 -2.474 1.126) 4.176 8.122 ( 2.110 -0.486 -3.299) 3.946 8.198 ( 0.544 -9.515 -2.757) 9.921 8.248 ( -1.180 -2.039 -1.917) 3.037 8.371 ( -4.909 4.620 -1.309) 6.867 8.418 ( -4.776 1.774 7.438) 9.016 8.589 ( -2.456 1.099 -4.141) 4.938 8.659 ( 3.614 -0.831 -0.691) 3.772 8.741 ( 1.339 -3.856 -0.661) 4.135 8.808 ( -1.270 2.539 -3.422) 4.446 8.869 ( 5.357 1.231 3.619) 6.581 8.908 ( 3.731 -3.443 0.420) 5.094 8.998 ( 2.568 -1.372 -1.638) 3.340 9.093 ( 0.766 0.663 -5.380) 5.474 9.125 ( -1.126 -0.350 -0.721) 1.382 9.234 ( 0.870 -4.368 -0.963) 4.557 9.331 ( -3.184 -4.806 -2.210) 6.174 9.404 ( -4.889 -4.408 -4.930) 8.224 9.448 ( 3.502 1.090 2.406) 4.387 9.481 ( 5.150 -1.086 0.731) 5.314 9.573 ( 5.205 -2.370 -0.799) 5.775 9.681 ( 4.333 -4.255 -4.083) 7.318 9.942 ( -10.797 -1.005 -1.888) 11.007 9.954 ( -9.526 -1.539 1.226) 9.727 10.094 ( -3.414 -0.352 -0.462) 3.463 10.113 ( -5.378 -0.670 -1.119) 5.534 11.498 ( -1.416 -0.626 3.197) 3.552 11.519 ( 0.228 -1.177 3.014) 3.244 11.615 ( 1.531 -1.634 -2.811) 3.594 11.644 ( 0.150 -2.676 -2.608) 3.739 11.949 ( 0.037 1.129 2.260) 2.527 11.985 ( -0.046 1.059 1.403) 1.758 12.017 ( -1.099 1.600 0.366) 1.975 12.072 ( 0.528 0.723 -1.317) 1.593 12.454 ( -0.693 -0.009 3.591) 3.658 12.491 ( -0.811 -0.237 2.057) 2.224 12.572 ( -0.416 0.771 3.014) 3.139 12.636 ( -1.531 -0.066 0.927) 1.791 12.651 ( 0.075 -0.421 1.049) 1.133 12.688 ( -0.446 -1.094 1.613) 2.000 12.760 ( -1.493 0.444 1.159) 1.942 12.892 ( -1.498 -3.342 -2.062) 4.203 12.975 ( 2.531 -0.028 -1.762) 3.084 13.022 ( 0.883 -0.808 -1.818) 2.177 13.104 ( -3.807 2.204 0.716) 4.457 13.198 ( -2.882 -1.821 -0.640) 3.469 13.641 ( 0.862 2.588 1.763) 3.248 13.719 ( -0.025 -0.390 3.431) 3.453 13.774 ( 0.233 0.656 -0.507) 0.861 13.793 ( 1.041 -0.166 -0.630) 1.228 14.288 ( 1.713 0.274 -0.988) 1.996 14.301 ( 6.146 0.044 -3.170) 6.915 14.381 ( 2.621 -0.194 -2.818) 3.854 14.430 ( 1.845 -0.295 -0.021) 1.868 14.459 ( -1.931 0.089 -3.391) 3.903 14.477 ( 2.249 -0.399 -2.806) 3.618 14.834 ( 0.661 1.307 2.220) 2.660 14.925 ( -0.287 -1.590 -0.615) 1.728 17.483 ( -0.540 -0.442 0.435) 0.822 17.499 ( -0.756 -0.909 0.255) 1.210 17.714 ( 1.389 1.106 1.683) 2.446 17.732 ( -0.109 0.509 1.510) 1.598 17.854 ( -4.235 -0.244 3.528) 5.517 17.867 ( -3.209 -0.698 2.499) 4.126 17.903 ( -4.704 0.801 1.024) 4.880 17.930 ( -4.359 0.044 -0.163) 4.362 18.457 ( 0.487 0.137 -0.491) 0.705 18.478 ( 2.030 -0.298 -1.169) 2.361 18.592 ( -1.249 0.433 1.158) 1.758 18.636 ( -0.957 -1.215 0.555) 1.643 18.793 ( 2.172 1.827 3.703) 4.666 18.842 ( 3.685 0.144 2.658) 4.546 18.910 ( 2.824 0.268 0.878) 2.969 18.929 ( 4.997 -0.273 -0.699) 5.053 19.599 ( -0.511 2.989 2.667) 4.038 19.754 ( 0.805 -2.318 -4.595) 5.209 19.815 ( -0.046 0.832 0.610) 1.033 19.862 ( 0.670 -0.836 -1.786) 2.083 19.941 ( -0.225 0.291 -0.167) 0.404 19.949 ( -0.078 -0.018 -0.531) 0.537 20.306 ( 0.548 -0.844 0.545) 1.145 20.336 ( 0.562 -1.713 -0.801) 1.973 20.558 ( -0.184 1.431 0.629) 1.574 20.570 ( -0.068 1.186 -0.007) 1.188 20.690 ( 0.172 0.438 0.484) 0.675 20.739 ( 0.218 -1.052 -1.599) 1.927 20.882 ( -0.072 0.729 1.119) 1.337 20.946 ( -0.188 -1.646 -1.464) 2.211 21.124 ( 0.271 0.795 -1.155) 1.428 21.135 ( 0.663 0.268 -1.608) 1.760 24.563 ( -0.943 0.267 0.720) 1.216 24.585 ( -0.979 -0.585 0.168) 1.153 24.608 ( -1.883 0.349 -0.180) 1.924 24.616 ( -2.153 0.071 -0.606) 2.238 24.996 ( 1.344 0.114 1.057) 1.714 25.000 ( 1.346 -0.019 -0.081) 1.348 25.115 ( 0.762 0.142 -0.605) 0.983 25.131 ( 0.642 -0.383 -0.357) 0.828 28.450 ( 1.507 0.548 -0.246) 1.622 28.465 ( 0.570 1.078 -1.243) 1.741 28.485 ( 0.400 -0.382 -0.483) 0.734 28.517 ( 1.710 -0.774 -0.446) 1.930 28.562 ( -1.279 0.161 -0.743) 1.488 28.578 ( 0.090 0.827 -0.157) 0.846 28.603 ( -1.366 -1.011 -0.428) 1.753 28.622 ( -0.630 -0.540 -0.724) 1.101 35.405 ( -0.873 0.218 2.749) 2.893 35.414 ( -0.162 -0.077 2.793) 2.799 35.510 ( 1.767 0.722 -1.543) 2.454 35.550 ( 3.831 -0.681 -5.402) 6.658 36.300 ( -0.150 1.367 1.704) 2.190 36.373 ( 0.257 0.229 0.171) 0.385 36.706 ( 0.241 4.279 0.286) 4.295 37.036 ( 1.669 -6.500 -15.173) 16.591 37.638 ( -1.040 1.298 2.680) 3.154 37.733 ( 1.149 -2.678 -0.101) 2.915 37.855 ( 2.373 2.093 -2.233) 3.872 37.915 ( 2.425 -0.224 -4.440) 5.064 38.007 ( -1.517 5.659 -1.727) 6.108 38.082 ( -0.110 3.733 -3.381) 5.037 38.325 ( -0.538 -3.566 -2.076) 4.161 38.373 ( 1.667 -3.267 -2.065) 4.209 38.725 ( -0.079 0.994 2.577) 2.763 38.780 ( 0.323 -1.286 -1.612) 2.088 39.034 ( 0.990 1.660 0.430) 1.980 39.123 ( 4.758 -1.439 -0.227) 4.976 39.325 ( -4.507 0.627 0.118) 4.552 39.332 ( -2.967 0.355 0.647) 3.057 39.398 ( -2.606 2.362 -2.195) 4.146 39.507 ( 0.763 -1.584 -2.857) 3.354 39.798 ( 0.222 3.175 3.250) 4.549 39.915 ( 3.464 1.031 2.399) 4.338 40.048 ( -5.637 -1.169 -2.630) 6.329 40.131 ( 4.075 -0.515 7.090) 8.193 40.517 ( -3.315 1.978 7.777) 8.682 40.638 ( 0.649 -1.048 1.746) 2.137 40.912 ( -2.225 0.601 6.259) 6.669 41.251 ( 0.652 -9.496 -7.226) 11.950 ======================= Grid point 91 (52/66) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.257 0.133 8.793) 8.798 1.390 ( 0.007 -0.201 6.422) 6.425 1.634 ( -2.022 1.882 6.010) 6.615 1.672 ( -0.990 4.541 4.373) 6.381 1.761 ( -0.864 -1.516 0.924) 1.975 1.807 ( 4.880 -1.006 -0.187) 4.986 1.825 ( 0.867 -0.051 1.290) 1.555 1.872 ( -0.737 0.069 0.842) 1.121 1.932 ( -0.476 0.698 -0.758) 1.135 2.051 ( -5.655 -3.604 0.523) 6.726 2.067 ( 0.454 -4.801 4.800) 6.804 2.111 ( -2.319 0.510 -5.226) 5.740 2.187 ( 6.393 -1.024 -0.598) 6.502 2.289 ( 3.958 0.409 -1.988) 4.448 2.424 ( -4.604 0.535 1.207) 4.789 2.443 ( 1.931 -2.024 0.389) 2.824 2.626 ( -2.509 0.497 1.934) 3.207 2.708 ( -1.833 2.637 -0.138) 3.215 2.727 ( -0.420 1.936 1.572) 2.529 2.833 ( 3.075 2.183 -0.323) 3.785 2.991 ( 1.140 -2.618 -2.062) 3.522 3.011 ( -0.227 -1.973 -2.567) 3.245 3.139 ( 5.871 -4.308 -1.028) 7.354 3.166 ( -2.218 -4.665 -2.191) 5.611 3.607 ( -1.873 7.457 4.979) 9.160 3.706 ( -3.754 10.077 1.467) 10.853 3.740 ( 0.103 5.578 5.019) 7.505 3.932 ( -0.857 3.516 -0.443) 3.646 4.061 ( -1.326 -4.223 0.240) 4.433 4.140 ( 2.432 1.432 -4.537) 5.343 4.263 ( -2.918 2.851 1.565) 4.369 4.341 ( -0.193 1.596 -0.371) 1.650 4.469 ( -2.328 2.303 7.820) 8.478 4.570 ( -0.963 -2.851 3.703) 4.771 4.607 ( 0.893 -4.121 5.846) 7.208 4.645 ( -3.602 -0.090 6.664) 7.576 4.734 ( -1.943 -1.625 0.719) 2.633 4.874 ( -4.334 0.588 2.048) 4.830 4.922 ( -1.410 0.318 1.770) 2.285 4.938 ( -1.563 0.056 -2.693) 3.114 5.117 ( -1.746 2.498 3.808) 4.877 5.145 ( 5.882 4.286 4.228) 8.417 5.188 ( -4.474 -0.437 1.700) 4.806 5.303 ( 2.865 2.302 3.864) 5.333 5.358 ( 0.266 -0.745 1.161) 1.405 5.389 ( 8.282 1.479 1.716) 8.586 5.429 ( -5.926 1.083 -0.442) 6.041 5.485 ( 3.955 1.523 -0.767) 4.307 5.580 ( -2.623 -0.843 4.691) 5.441 5.687 ( 2.650 -0.202 5.366) 5.988 5.781 ( 2.082 -0.961 5.801) 6.237 5.808 ( -2.626 -3.100 4.512) 6.072 5.915 ( 2.563 -3.463 1.875) 4.698 5.980 ( 4.016 4.366 5.499) 8.089 6.011 ( -1.164 -1.229 3.621) 3.997 6.118 ( 4.448 0.035 2.414) 5.061 6.209 ( -2.873 4.363 7.251) 8.937 6.310 ( -4.957 3.156 5.618) 8.129 6.324 ( 2.792 2.429 4.389) 5.741 6.407 ( -0.126 5.996 -3.249) 6.821 6.506 ( -4.232 -3.343 -0.494) 5.416 6.655 ( -2.272 -3.065 -5.057) 6.335 6.706 ( 9.344 1.772 4.661) 10.592 6.799 ( -5.400 0.792 -6.439) 8.441 6.811 ( 0.807 -0.854 -4.341) 4.497 6.854 ( -1.653 -2.616 -2.481) 3.966 6.967 ( -2.926 4.010 -0.712) 5.015 7.035 ( -1.217 4.468 3.263) 5.665 7.129 ( 4.174 -2.191 -0.561) 4.748 7.232 ( -1.783 2.378 0.612) 3.034 7.243 ( 0.549 4.938 7.234) 8.776 7.353 ( 3.517 6.780 -1.323) 7.752 7.436 ( -7.558 4.008 -6.316) 10.634 7.689 ( 0.407 -1.592 1.415) 2.168 7.755 ( -2.146 0.524 -6.268) 6.646 7.772 ( -1.548 -2.307 0.053) 2.779 7.872 ( -1.971 -0.796 -3.715) 4.280 8.019 ( -1.222 2.755 -1.340) 3.298 8.065 ( 0.381 -1.077 -3.967) 4.128 8.153 ( -1.516 -4.214 -3.675) 5.793 8.216 ( 6.014 -1.656 -0.179) 6.240 8.258 ( -1.054 -0.058 2.585) 2.792 8.311 ( 1.734 3.952 -2.896) 5.197 8.404 ( 0.558 -1.287 -1.296) 1.910 8.507 ( -0.160 4.736 1.195) 4.887 8.704 ( 0.561 -2.027 -3.286) 3.901 8.767 ( 1.415 -1.719 -1.784) 2.853 8.823 ( 4.392 2.118 -4.717) 6.784 8.923 ( -2.340 -0.153 2.049) 3.114 8.949 ( 0.405 0.421 2.224) 2.299 9.042 ( -0.134 -1.466 -0.559) 1.575 9.077 ( 1.233 -3.656 -1.159) 4.029 9.128 ( 1.160 -1.418 -1.971) 2.691 9.253 ( -4.195 -2.339 -0.840) 4.876 9.275 ( -0.265 -4.801 -0.660) 4.853 9.297 ( -0.543 -4.584 -6.841) 8.252 9.510 ( -1.419 1.442 0.634) 2.120 9.543 ( 3.459 0.759 0.263) 3.551 9.690 ( -1.416 -2.992 -2.024) 3.880 9.707 ( 2.587 -3.184 -3.437) 5.352 9.806 ( 1.803 -1.302 -0.834) 2.375 9.839 ( 1.524 -2.409 -2.193) 3.596 9.998 ( -2.424 -1.069 0.261) 2.662 10.021 ( -0.928 -1.585 -1.068) 2.125 11.487 ( -1.107 -0.099 3.436) 3.611 11.531 ( -0.289 -1.489 2.771) 3.159 11.625 ( 0.233 -2.053 -2.692) 3.394 11.643 ( 1.163 -2.634 -2.901) 4.088 11.963 ( 0.108 1.726 1.468) 2.268 11.986 ( -0.741 1.523 2.276) 2.837 12.003 ( 0.005 1.911 0.142) 1.916 12.075 ( 0.320 0.271 -1.225) 1.295 12.495 ( 3.241 -0.858 1.553) 3.694 12.510 ( 2.134 -1.005 -0.136) 2.363 12.571 ( -1.469 -0.328 4.047) 4.318 12.625 ( 0.130 0.055 -1.449) 1.455 12.671 ( 2.200 1.255 1.948) 3.195 12.690 ( -1.191 1.338 2.463) 3.046 12.765 ( 1.595 -0.459 -0.874) 1.876 12.861 ( -0.521 -2.050 -2.567) 3.327 13.005 ( -0.172 0.046 -0.633) 0.657 13.034 ( -1.759 -0.588 -0.496) 1.920 13.093 ( 6.262 -0.774 -1.517) 6.489 13.123 ( -1.963 -1.400 -0.827) 2.549 13.625 ( -3.433 1.785 5.261) 6.530 13.676 ( -5.397 0.309 5.589) 7.775 13.747 ( -2.866 1.250 0.401) 3.152 13.798 ( -0.924 -0.343 1.440) 1.745 14.277 ( -3.542 0.535 1.961) 4.084 14.331 ( -4.370 0.338 0.592) 4.423 14.368 ( -1.875 0.026 -1.101) 2.175 14.428 ( 1.515 -1.142 -4.333) 4.730 14.470 ( 1.505 0.446 -2.383) 2.853 14.500 ( 2.622 -0.231 -3.377) 4.281 14.895 ( 2.916 -0.165 -0.163) 2.925 14.926 ( 1.057 -0.680 -1.503) 1.959 17.472 ( -1.019 -0.559 1.103) 1.602 17.478 ( -0.590 -0.608 0.979) 1.295 17.725 ( -3.233 0.911 3.338) 4.735 17.738 ( -0.923 0.451 3.175) 3.337 17.817 ( 1.641 0.550 0.445) 1.787 17.846 ( 1.260 -0.207 0.947) 1.590 17.882 ( 3.080 0.017 -2.241) 3.809 17.926 ( 4.984 -0.282 -2.270) 5.484 18.444 ( -1.654 -0.124 0.979) 1.926 18.460 ( -2.564 -0.621 -0.203) 2.646 18.606 ( 1.255 0.199 0.517) 1.372 18.626 ( -0.553 -0.634 -0.099) 0.847 18.848 ( 0.088 0.834 3.857) 3.947 18.878 ( -1.540 0.148 3.897) 4.193 18.949 ( 0.301 1.405 0.083) 1.440 19.001 ( 1.606 -0.467 -0.612) 1.781 19.605 ( -0.192 2.821 2.615) 3.852 19.751 ( 0.855 -2.233 -4.604) 5.187 19.816 ( -0.173 0.899 0.577) 1.082 19.864 ( 0.317 -0.838 -1.823) 2.031 19.937 ( -0.053 0.276 -0.082) 0.293 19.944 ( -0.026 -0.026 -0.493) 0.495 20.320 ( 0.380 -0.832 0.200) 0.936 20.344 ( 0.499 -1.613 -0.924) 1.925 20.557 ( -0.175 1.337 0.649) 1.496 20.568 ( -0.054 1.062 -0.007) 1.064 20.694 ( -0.047 0.525 0.459) 0.699 20.737 ( 0.335 -0.812 -1.685) 1.900 20.884 ( -0.291 0.461 1.425) 1.526 20.937 ( 0.102 -1.570 -1.269) 2.021 21.123 ( 0.185 0.941 -1.184) 1.524 21.142 ( 0.644 0.096 -1.636) 1.761 24.556 ( -0.162 0.215 0.694) 0.744 24.567 ( -1.286 0.017 0.303) 1.321 24.579 ( 0.628 -0.108 -0.240) 0.681 24.586 ( -0.134 -0.091 -0.747) 0.764 25.012 ( -0.475 0.375 1.233) 1.373 25.029 ( 0.970 -0.183 0.419) 1.072 25.122 ( -1.052 -0.077 -0.291) 1.095 25.127 ( 0.405 -0.189 -0.740) 0.865 28.465 ( -0.161 0.726 -0.449) 0.869 28.468 ( -0.334 0.673 -0.628) 0.980 28.499 ( 1.364 -0.165 -0.199) 1.388 28.524 ( -1.321 0.331 -1.351) 1.918 28.557 ( 1.491 -1.123 -0.087) 1.868 28.569 ( -0.976 -0.692 -0.539) 1.312 28.593 ( 1.210 0.361 -0.159) 1.273 28.608 ( -0.231 -0.259 -1.075) 1.130 35.396 ( -0.923 0.536 2.312) 2.546 35.423 ( -0.385 -0.382 3.008) 3.057 35.543 ( 1.769 1.109 -2.991) 3.648 35.607 ( 3.869 -1.163 -8.631) 9.529 36.308 ( 0.085 1.687 1.520) 2.273 36.375 ( -0.010 1.038 -0.579) 1.189 36.688 ( -2.134 2.668 1.728) 3.829 36.985 ( 0.040 -6.634 -12.419) 14.080 37.652 ( 0.831 1.648 3.511) 3.966 37.758 ( 1.138 -2.850 -0.667) 3.140 37.869 ( -0.420 2.399 -3.160) 3.989 37.945 ( 2.327 0.145 -5.831) 6.280 37.994 ( 1.552 4.915 -1.254) 5.305 38.039 ( -2.199 3.108 -3.652) 5.276 38.339 ( 2.161 -3.386 -0.560) 4.056 38.378 ( -0.338 -3.337 -2.798) 4.368 38.719 ( -1.280 1.789 2.338) 3.210 38.794 ( 1.422 -1.173 -1.192) 2.195 39.070 ( 1.276 2.036 1.752) 2.974 39.180 ( -3.561 -1.898 -3.132) 5.108 39.250 ( -0.630 0.791 0.621) 1.186 39.261 ( -0.373 0.707 -0.202) 0.824 39.374 ( 1.314 1.348 0.842) 2.062 39.451 ( -3.267 -1.177 -3.082) 4.643 39.826 ( 0.524 0.928 3.263) 3.433 39.919 ( -1.646 -3.083 -1.356) 3.749 40.103 ( 5.876 4.150 5.984) 9.357 40.185 ( -1.139 4.900 2.223) 5.500 40.484 ( -2.405 0.501 8.893) 9.226 40.691 ( 4.278 -4.329 -0.887) 6.150 40.909 ( -0.878 -0.080 7.389) 7.442 41.173 ( -4.624 -8.325 -6.727) 11.660 ======================= Grid point 92 (53/66) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.412 4.014 8.576) 9.478 1.459 ( -0.237 -1.896 3.610) 4.085 1.589 ( -1.041 -2.577 4.591) 5.367 1.639 ( -6.024 -2.539 3.781) 7.552 1.727 ( 1.877 3.375 -0.668) 3.919 1.776 ( -5.126 3.217 3.437) 6.960 1.848 ( -1.004 -1.210 -0.091) 1.574 1.919 ( 1.573 2.648 -3.531) 4.685 1.955 ( 3.048 -1.957 2.773) 4.562 1.999 ( -0.044 0.701 -1.652) 1.795 2.048 ( 1.284 -1.173 1.671) 2.412 2.164 ( 3.615 -2.656 -0.308) 4.496 2.284 ( -3.151 0.385 0.035) 3.174 2.370 ( 2.201 -1.500 -0.511) 2.712 2.375 ( 5.054 -0.634 0.115) 5.095 2.480 ( -0.690 1.388 -0.488) 1.625 2.568 ( 3.016 -3.487 1.944) 5.004 2.690 ( -2.082 -0.393 -0.022) 2.119 2.728 ( -1.918 -0.045 2.924) 3.497 2.800 ( -3.697 2.355 -1.122) 4.525 2.976 ( -4.543 -6.331 0.271) 7.797 3.001 ( 0.917 -0.995 -2.739) 3.055 3.082 ( -2.539 0.336 -3.123) 4.039 3.183 ( -1.029 -2.974 -2.558) 4.056 3.545 ( -1.146 7.112 4.982) 8.759 3.681 ( -3.976 6.001 4.845) 8.677 3.844 ( 6.614 5.513 5.123) 10.019 3.870 ( -1.730 4.688 -4.509) 6.731 4.047 ( -1.483 2.589 -1.981) 3.581 4.221 ( 5.512 0.809 1.861) 5.874 4.240 ( 0.696 5.380 2.841) 6.123 4.356 ( -1.879 3.553 0.387) 4.038 4.473 ( 0.547 -2.675 11.463) 11.783 4.571 ( -0.128 -2.511 3.196) 4.066 4.583 ( -4.656 -1.350 5.381) 7.243 4.665 ( 2.111 -5.263 1.534) 5.874 4.670 ( -4.970 -0.224 4.851) 6.949 4.742 ( -4.951 0.543 1.536) 5.212 4.803 ( -3.235 -5.199 -1.936) 6.422 5.004 ( -3.268 2.244 5.143) 6.494 5.017 ( -5.741 -2.672 1.029) 6.415 5.037 ( -8.012 -0.059 2.817) 8.493 5.193 ( -2.605 5.862 5.235) 8.280 5.227 ( -6.366 5.596 1.459) 8.600 5.339 ( -0.380 4.446 -2.583) 5.156 5.428 ( 2.592 1.183 2.952) 4.103 5.470 ( -2.033 1.429 1.769) 3.050 5.501 ( -4.035 -1.160 4.630) 6.250 5.570 ( -2.852 -4.643 3.855) 6.675 5.672 ( -1.446 1.836 -2.848) 3.684 5.750 ( -2.470 -1.395 9.767) 10.171 5.849 ( -8.636 -1.926 5.597) 10.470 5.936 ( 7.480 -2.892 0.221) 8.022 5.972 ( -5.343 2.742 1.227) 6.130 6.044 ( -4.321 4.965 -2.806) 7.155 6.198 ( 5.911 0.764 -0.702) 6.002 6.225 ( 3.457 3.317 4.857) 6.823 6.268 ( -2.995 0.129 4.701) 5.575 6.289 ( -2.841 -0.986 -6.989) 7.608 6.407 ( -2.524 -3.456 -2.610) 5.012 6.540 ( 0.405 8.612 -2.078) 8.868 6.556 ( 0.984 -0.643 4.609) 4.757 6.619 ( -4.257 3.940 2.640) 6.373 6.762 ( 0.088 -5.159 0.269) 5.167 6.839 ( 2.299 2.455 -3.613) 4.936 6.890 ( 2.008 -0.308 5.780) 6.127 7.072 ( 8.159 3.460 -0.796) 8.899 7.093 ( -0.178 3.997 2.909) 4.947 7.199 ( 0.102 0.254 5.831) 5.837 7.271 ( 1.324 -0.932 -2.615) 3.076 7.293 ( 1.999 2.202 -3.021) 4.240 7.317 ( 8.636 0.026 -8.233) 11.932 7.459 ( 6.891 6.094 -0.122) 9.200 7.613 ( -4.338 -2.553 -5.252) 7.275 7.733 ( -2.674 8.657 -0.888) 9.104 7.763 ( -0.428 0.007 -3.954) 3.977 7.849 ( 2.957 -1.970 1.568) 3.884 7.949 ( -5.244 -2.245 3.445) 6.664 8.022 ( 2.790 -0.943 1.630) 3.367 8.176 ( 2.790 -0.977 -2.462) 3.847 8.208 ( -3.430 3.707 -1.525) 5.275 8.317 ( 1.643 0.973 -2.497) 3.144 8.418 ( 4.361 6.265 3.606) 8.442 8.436 ( 5.485 -2.704 -2.497) 6.606 8.504 ( 1.075 0.030 -2.579) 2.794 8.696 ( -2.331 -5.010 1.694) 5.780 8.736 ( -3.013 -6.757 -3.163) 8.046 8.849 ( -1.457 -0.426 1.349) 2.030 8.907 ( -2.610 2.765 -2.738) 4.686 8.950 ( 0.181 1.436 -2.559) 2.940 9.048 ( 1.226 2.168 -3.383) 4.201 9.053 ( -2.264 -4.121 -0.378) 4.717 9.150 ( 3.451 -3.456 -3.201) 5.839 9.198 ( 3.329 -1.871 -1.319) 4.041 9.239 ( -1.235 -5.213 0.828) 5.421 9.317 ( 1.693 -3.468 -2.233) 4.459 9.472 ( -3.539 -0.085 -0.181) 3.544 9.527 ( -1.971 -0.138 0.354) 2.008 9.625 ( -3.535 -3.472 -2.357) 5.487 9.654 ( -2.712 -3.284 -3.340) 5.413 9.945 ( 9.043 -0.399 -0.350) 9.059 9.971 ( 8.634 0.317 -0.095) 8.640 10.051 ( 4.625 -1.154 1.864) 5.118 10.104 ( 6.841 -2.454 -1.909) 7.514 11.486 ( -0.429 -0.222 3.379) 3.413 11.530 ( -1.008 -1.703 2.622) 3.285 11.613 ( -0.310 -1.681 -1.786) 2.472 11.652 ( 0.919 -3.150 -3.542) 4.828 11.956 ( -1.152 1.410 2.206) 2.860 11.980 ( -0.446 1.835 1.217) 2.246 12.019 ( 1.114 2.480 -0.515) 2.767 12.075 ( 0.132 -0.428 -0.989) 1.086 12.538 ( -2.094 -0.268 2.670) 3.403 12.546 ( 0.083 -0.525 2.162) 2.227 12.580 ( 2.902 -2.197 0.064) 3.640 12.620 ( 0.461 -0.591 -2.378) 2.494 12.647 ( -2.879 1.636 4.681) 5.734 12.737 ( -0.173 -2.143 1.289) 2.507 12.813 ( 6.731 2.728 -4.730) 8.667 12.855 ( 0.803 0.452 -4.211) 4.311 12.968 ( -2.956 -1.806 0.232) 3.472 13.024 ( 1.863 -1.674 -2.820) 3.771 13.134 ( 2.461 2.426 1.636) 3.824 13.211 ( 1.678 -1.120 1.360) 2.433 13.588 ( -2.907 0.931 6.809) 7.462 13.606 ( -1.087 -0.142 5.257) 5.370 13.693 ( -1.306 1.924 -0.086) 2.327 13.774 ( -1.371 -0.913 0.820) 1.840 14.213 ( -2.248 0.720 1.533) 2.815 14.266 ( -2.104 1.098 0.089) 2.375 14.302 ( -1.828 -0.041 0.880) 2.029 14.384 ( -4.014 -1.217 -0.943) 4.299 14.497 ( 0.251 -0.491 -2.190) 2.258 14.527 ( 1.768 -0.569 -4.157) 4.553 14.914 ( -0.529 -0.093 -0.462) 0.709 14.937 ( 0.210 -0.169 -1.877) 1.896 17.469 ( 0.409 -0.224 0.819) 0.943 17.481 ( 0.214 -0.531 0.980) 1.135 17.687 ( -1.323 0.946 3.002) 3.414 17.729 ( -0.119 -0.615 1.202) 1.355 17.881 ( 3.686 -0.188 0.051) 3.691 17.913 ( 3.780 -0.796 -0.287) 3.873 17.970 ( 4.584 1.197 -1.707) 5.035 18.021 ( 3.424 0.122 -2.090) 4.013 18.404 ( -2.731 -0.165 1.817) 3.284 18.419 ( -0.754 -0.697 1.985) 2.235 18.620 ( 0.573 0.364 0.279) 0.734 18.636 ( 1.893 -0.172 0.318) 1.927 18.805 ( -4.927 0.117 2.296) 5.437 18.819 ( -5.394 -0.011 2.597) 5.986 18.917 ( -3.132 1.997 -0.207) 3.720 18.976 ( -3.633 -0.401 -0.445) 3.682 19.608 ( -0.644 2.787 2.594) 3.861 19.751 ( 1.249 -2.118 -5.072) 5.637 19.814 ( -0.239 0.865 0.722) 1.152 19.860 ( 0.058 -0.778 -1.509) 1.699 19.939 ( 0.277 0.249 -0.016) 0.373 19.945 ( 0.296 0.006 -0.446) 0.535 20.317 ( -0.691 -0.814 0.042) 1.069 20.343 ( -0.103 -1.766 -1.321) 2.207 20.557 ( -0.100 1.404 0.697) 1.570 20.568 ( 0.062 1.141 0.060) 1.145 20.691 ( -0.424 0.596 0.599) 0.945 20.739 ( 0.514 -0.747 -1.859) 2.068 20.882 ( -0.507 0.486 1.632) 1.777 20.942 ( 0.893 -1.656 -1.837) 2.630 21.122 ( 0.258 0.876 -1.376) 1.651 21.142 ( 0.041 0.005 -1.570) 1.570 24.561 ( 0.649 0.096 0.753) 0.999 24.568 ( 0.789 -0.052 0.794) 1.121 24.601 ( 1.896 0.258 -0.287) 1.935 24.619 ( 2.307 -0.352 0.004) 2.334 24.990 ( -1.741 0.470 0.501) 1.872 25.026 ( -1.243 -0.890 -0.173) 1.538 25.102 ( -0.543 0.664 0.061) 0.860 25.123 ( -0.567 -0.197 -0.240) 0.647 28.445 ( -1.098 0.243 -0.243) 1.151 28.460 ( -0.224 0.103 -0.276) 0.370 28.490 ( -0.674 0.516 -1.299) 1.552 28.514 ( -1.104 -0.469 -0.014) 1.200 28.553 ( 1.109 0.533 -0.665) 1.398 28.597 ( 0.605 -0.665 -0.901) 1.273 28.609 ( 1.458 -0.209 -0.912) 1.732 28.616 ( 0.856 -0.236 -0.245) 0.921 35.391 ( -0.445 0.602 2.176) 2.301 35.423 ( -0.733 -0.507 2.681) 2.825 35.540 ( -0.585 0.834 -3.412) 3.561 35.597 ( -1.304 -1.210 -7.939) 8.135 36.308 ( -0.693 1.469 1.473) 2.192 36.373 ( 0.029 1.394 -0.558) 1.502 36.661 ( -0.965 2.942 2.838) 4.200 36.972 ( 3.919 -7.067 -10.557) 13.295 37.678 ( -0.171 1.426 3.054) 3.375 37.752 ( -1.143 -1.298 -1.832) 2.519 37.835 ( -0.897 2.607 -2.444) 3.684 37.941 ( -0.405 -1.509 -6.865) 7.041 38.016 ( 2.023 4.784 -2.297) 5.679 38.038 ( 2.388 4.477 -1.094) 5.191 38.341 ( -0.876 -3.088 -3.269) 4.581 38.375 ( 0.804 -4.219 -1.092) 4.431 38.707 ( -0.784 2.583 2.130) 3.439 38.814 ( 0.780 -1.470 -1.875) 2.507 39.053 ( -3.983 -0.026 -0.370) 4.001 39.065 ( -2.443 -0.423 1.763) 3.042 39.285 ( 3.920 2.238 1.180) 4.665 39.343 ( 5.021 0.186 0.077) 5.025 39.410 ( 0.346 0.129 -1.243) 1.296 39.419 ( 1.207 0.022 1.386) 1.838 39.836 ( -1.822 -0.409 3.444) 3.918 39.866 ( -1.621 -2.267 0.901) 2.929 40.096 ( -5.443 7.804 -1.911) 9.704 40.236 ( 3.340 2.248 2.659) 4.825 40.512 ( 0.840 2.143 8.090) 8.411 40.726 ( -2.286 -6.747 -3.959) 8.150 40.932 ( -0.826 -2.000 8.630) 8.897 41.100 ( 2.303 -6.924 -3.305) 8.010 ======================= Grid point 93 (54/66) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -5.282 -2.693 6.533) 8.822 1.384 ( -5.282 2.693 6.533) 8.822 1.544 ( 1.164 -2.007 3.107) 3.878 1.544 ( 1.164 2.007 3.108) 3.878 1.813 ( 0.839 -0.664 0.693) 1.275 1.813 ( 0.839 0.664 0.693) 1.275 1.895 ( -2.331 -2.688 2.011) 4.087 1.895 ( -2.331 2.688 2.011) 4.087 2.000 ( -2.502 -3.487 2.022) 4.744 2.000 ( -2.502 3.487 2.022) 4.744 2.050 ( 0.842 -0.516 0.691) 1.205 2.050 ( 0.842 0.516 0.691) 1.205 2.360 ( -2.608 -4.372 -0.046) 5.091 2.360 ( -2.608 4.372 -0.046) 5.091 2.456 ( 3.067 -1.812 -5.323) 6.405 2.456 ( 3.067 1.812 -5.323) 6.405 2.594 ( -1.601 -7.461 3.362) 8.339 2.594 ( -1.601 7.461 3.362) 8.339 2.709 ( 3.531 -3.305 2.010) 5.238 2.709 ( 3.531 3.305 2.010) 5.238 2.927 ( -1.130 -2.335 1.398) 2.947 2.927 ( -1.130 2.335 1.398) 2.947 3.097 ( -1.232 -2.831 -3.994) 5.048 3.097 ( -1.232 2.831 -3.994) 5.048 3.709 ( 1.399 -0.959 4.823) 5.113 3.709 ( 1.399 0.959 4.823) 5.113 3.951 ( 1.459 -1.062 -4.553) 4.898 3.951 ( 1.459 1.062 -4.553) 4.898 4.188 ( -0.175 -4.331 1.071) 4.465 4.188 ( -0.175 4.331 1.071) 4.465 4.388 ( -3.838 -3.404 6.473) 8.259 4.388 ( -3.838 3.404 6.473) 8.259 4.474 ( 0.066 -3.283 1.432) 3.583 4.474 ( 0.066 3.283 1.432) 3.583 4.583 ( 3.607 -5.502 1.838) 6.831 4.583 ( 3.607 5.502 1.838) 6.831 4.699 ( 0.363 -2.544 0.306) 2.588 4.699 ( 0.363 2.544 0.306) 2.588 4.773 ( -0.039 -0.939 5.250) 5.334 4.773 ( -0.039 0.939 5.250) 5.334 4.982 ( -1.048 -6.330 3.906) 7.511 4.982 ( -1.048 6.330 3.906) 7.511 5.299 ( -0.328 -4.970 -2.414) 5.535 5.299 ( -0.328 4.970 -2.414) 5.535 5.406 ( -3.259 -5.746 4.227) 7.843 5.406 ( -3.259 5.746 4.227) 7.843 5.441 ( -0.534 -3.599 3.766) 5.236 5.441 ( -0.534 3.599 3.766) 5.236 5.569 ( -1.432 -3.998 6.236) 7.545 5.569 ( -1.432 3.998 6.236) 7.545 5.688 ( -1.133 -0.619 4.873) 5.041 5.688 ( -1.133 0.619 4.873) 5.041 5.895 ( -7.911 -2.704 4.323) 9.412 5.895 ( -7.911 2.704 4.323) 9.412 6.084 ( -2.423 -5.355 -4.467) 7.383 6.084 ( -2.423 5.355 -4.467) 7.383 6.276 ( -0.280 -2.482 -3.092) 3.975 6.276 ( -0.280 2.482 -3.092) 3.975 6.436 ( 6.739 -2.093 3.474) 7.865 6.436 ( 6.739 2.093 3.474) 7.865 6.552 ( 1.954 -2.739 0.334) 3.381 6.552 ( 1.954 2.739 0.334) 3.381 6.743 ( -4.698 -1.504 4.696) 6.811 6.743 ( -4.698 1.504 4.696) 6.811 6.901 ( 0.404 -2.334 -2.786) 3.657 6.901 ( 0.404 2.334 -2.786) 3.657 7.079 ( -2.706 -6.435 3.825) 7.960 7.079 ( -2.706 6.435 3.825) 7.960 7.244 ( -1.005 -6.040 -2.875) 6.765 7.244 ( -1.005 6.040 -2.875) 6.765 7.416 ( 5.133 -3.655 -4.045) 7.488 7.416 ( 5.133 3.655 -4.045) 7.488 7.584 ( 3.869 -7.035 1.717) 8.210 7.584 ( 3.869 7.035 1.717) 8.210 7.831 ( 2.067 -7.724 -8.396) 11.594 7.831 ( 2.067 7.724 -8.396) 11.594 7.967 ( 1.993 -3.999 -0.539) 4.500 7.967 ( 1.993 3.999 -0.539) 4.500 8.073 ( 2.556 -1.217 0.742) 2.927 8.073 ( 2.556 1.217 0.742) 2.927 8.277 ( -8.628 -9.324 -6.324) 14.191 8.277 ( -8.628 9.324 -6.324) 14.191 8.467 ( 3.852 -6.239 3.113) 7.966 8.467 ( 3.852 6.239 3.113) 7.966 8.590 ( 2.612 -3.868 1.005) 4.774 8.590 ( 2.612 3.868 1.005) 4.774 8.699 ( -1.927 -3.634 -1.547) 4.395 8.699 ( -1.927 3.634 -1.547) 4.395 8.835 ( -1.384 -2.727 0.341) 3.077 8.835 ( -1.384 2.727 0.341) 3.077 9.043 ( 0.438 -2.620 0.108) 2.658 9.043 ( 0.438 2.620 0.108) 2.658 9.182 ( -0.683 -1.696 -2.152) 2.824 9.182 ( -0.683 1.696 -2.152) 2.824 9.299 ( 5.349 -1.991 -1.507) 5.903 9.299 ( 5.349 1.991 -1.507) 5.903 9.443 ( -3.604 -3.180 -1.902) 5.169 9.443 ( -3.604 3.180 -1.902) 5.169 9.536 ( 1.018 -3.090 -1.493) 3.579 9.536 ( 1.018 3.090 -1.493) 3.579 10.064 ( -0.754 -1.184 0.802) 1.616 10.064 ( -0.754 1.184 0.802) 1.616 10.131 ( 1.533 -1.633 -0.729) 2.355 10.131 ( 1.533 1.633 -0.729) 2.355 11.492 ( -0.507 -0.491 2.775) 2.864 11.492 ( -0.507 0.491 2.775) 2.864 11.598 ( 0.448 -1.123 -1.944) 2.289 11.598 ( 0.448 1.123 -1.944) 2.289 11.977 ( -0.784 -1.422 1.504) 2.214 11.977 ( -0.784 1.422 1.504) 2.214 12.065 ( 0.176 -0.880 -0.522) 1.038 12.065 ( 0.176 0.880 -0.522) 1.038 12.507 ( -3.483 -1.203 3.239) 4.906 12.507 ( -3.483 1.203 3.239) 4.906 12.607 ( 1.110 -1.080 -1.871) 2.429 12.607 ( 1.110 1.080 -1.871) 2.429 12.658 ( -1.439 -1.607 4.404) 4.904 12.658 ( -1.439 1.607 4.404) 4.904 12.845 ( -0.742 -2.441 -3.759) 4.543 12.845 ( -0.742 2.441 -3.759) 4.543 13.003 ( -0.617 -1.236 0.017) 1.381 13.003 ( -0.617 1.236 0.017) 1.381 13.189 ( -0.576 -0.864 0.990) 1.434 13.189 ( -0.576 0.864 0.990) 1.434 13.644 ( 2.994 -1.747 2.908) 4.525 13.644 ( 2.994 1.747 2.908) 4.525 13.748 ( 2.515 -1.094 -1.543) 3.147 13.748 ( 2.515 1.094 -1.543) 3.147 14.261 ( 0.495 -1.533 -1.223) 2.022 14.261 ( 0.495 1.533 -1.223) 2.022 14.312 ( 4.409 -1.773 -0.851) 4.828 14.312 ( 4.409 1.773 -0.851) 4.828 14.490 ( -1.404 -1.481 -2.170) 2.979 14.490 ( -1.404 1.481 -2.170) 2.979 14.902 ( -1.767 -1.668 0.490) 2.478 14.902 ( -1.767 1.668 0.490) 2.478 17.483 ( 0.464 -0.259 0.222) 0.576 17.483 ( 0.464 0.259 0.222) 0.576 17.716 ( 0.331 -1.062 1.335) 1.738 17.716 ( 0.331 1.062 1.335) 1.738 17.914 ( -2.246 -0.474 2.467) 3.370 17.914 ( -2.246 0.474 2.467) 3.370 18.009 ( -2.937 -0.214 -0.030) 2.945 18.009 ( -2.937 0.214 -0.030) 2.945 18.423 ( 2.512 -0.844 0.934) 2.809 18.423 ( 2.512 0.844 0.934) 2.809 18.654 ( -2.182 -0.275 1.991) 2.967 18.654 ( -2.182 0.275 1.991) 2.967 18.754 ( 1.897 -0.323 -0.130) 1.929 18.754 ( 1.897 0.323 -0.130) 1.929 18.888 ( -1.878 -0.484 0.530) 2.010 18.888 ( -1.878 0.484 0.530) 2.010 19.684 ( 0.251 -3.831 -1.625) 4.169 19.684 ( 0.251 3.831 -1.625) 4.169 19.836 ( 0.115 -1.074 -0.455) 1.172 19.836 ( 0.115 1.074 -0.455) 1.172 19.948 ( 0.165 -0.140 -0.329) 0.394 19.948 ( 0.165 0.140 -0.329) 0.394 20.301 ( -0.272 -0.807 -0.365) 0.926 20.301 ( -0.272 0.807 -0.365) 0.926 20.582 ( 0.010 -0.383 0.326) 0.503 20.582 ( 0.010 0.383 0.326) 0.503 20.710 ( -0.074 -1.482 -0.285) 1.511 20.710 ( -0.074 1.482 -0.285) 1.511 20.909 ( 0.264 -1.739 -0.604) 1.859 20.909 ( 0.264 1.739 -0.604) 1.859 21.135 ( 0.257 -0.270 -1.509) 1.554 21.135 ( 0.257 0.270 -1.509) 1.554 24.581 ( 0.165 -0.256 0.827) 0.881 24.581 ( 0.165 0.256 0.827) 0.881 24.637 ( 0.225 -0.296 -0.166) 0.408 24.637 ( 0.225 0.296 -0.166) 0.408 24.983 ( -0.245 -0.619 -0.081) 0.671 24.983 ( -0.245 0.619 -0.081) 0.671 25.111 ( 0.231 -0.069 -0.144) 0.281 25.111 ( 0.231 0.069 -0.144) 0.281 28.447 ( 0.281 -0.847 0.142) 0.904 28.447 ( 0.281 0.847 0.142) 0.904 28.491 ( 0.166 -0.579 -1.259) 1.395 28.491 ( 0.166 0.579 -1.259) 1.395 28.589 ( 0.105 -0.708 -0.549) 0.902 28.589 ( 0.105 0.708 -0.549) 0.902 28.613 ( -0.076 -0.423 -0.639) 0.770 28.613 ( -0.076 0.423 -0.639) 0.770 35.408 ( -0.427 -0.508 2.450) 2.538 35.408 ( -0.427 0.508 2.450) 2.538 35.521 ( -0.720 -0.613 -3.019) 3.164 35.521 ( -0.720 0.613 -3.019) 3.164 36.344 ( -1.058 -2.232 2.913) 3.819 36.344 ( -1.058 2.232 2.913) 3.819 36.839 ( 4.336 -8.689 -8.071) 12.627 36.839 ( 4.336 8.689 -8.071) 12.627 37.693 ( -1.746 -1.545 1.049) 2.557 37.693 ( -1.746 1.545 1.049) 2.557 37.876 ( 0.812 -1.992 -3.954) 4.501 37.876 ( 0.812 1.992 -3.954) 4.501 38.148 ( 1.240 -1.562 -1.672) 2.602 38.148 ( 1.240 1.562 -1.672) 2.602 38.276 ( 0.197 -1.354 -2.471) 2.824 38.276 ( 0.197 1.354 -2.471) 2.824 38.756 ( -0.650 -2.120 -0.321) 2.241 38.756 ( -0.650 2.120 -0.321) 2.241 39.034 ( 0.798 -0.297 0.954) 1.279 39.034 ( 0.798 0.297 0.954) 1.279 39.399 ( -0.755 -1.248 0.094) 1.462 39.399 ( -0.755 1.248 0.094) 1.462 39.432 ( 2.315 -0.547 0.130) 2.382 39.432 ( 2.315 0.547 0.130) 2.382 39.858 ( 2.253 -2.960 4.726) 6.014 39.858 ( 2.253 2.960 4.726) 6.014 40.123 ( -6.756 -5.651 -3.741) 9.569 40.123 ( -6.756 5.651 -3.741) 9.569 40.604 ( -1.188 -2.408 6.362) 6.905 40.604 ( -1.188 2.408 6.362) 6.905 40.990 ( 2.668 -7.622 0.209) 8.078 40.990 ( 2.668 7.622 0.209) 8.078 ======================= Grid point 95 (55/66) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -2.440 -3.420 6.978) 8.145 1.335 ( -2.440 3.420 6.978) 8.145 1.619 ( 5.039 -0.203 4.106) 6.503 1.619 ( 5.039 0.203 4.106) 6.503 1.797 ( -3.218 -2.847 2.147) 4.803 1.797 ( -3.218 2.847 2.147) 4.803 1.873 ( -2.182 -4.075 3.450) 5.768 1.873 ( -2.182 4.075 3.450) 5.768 1.949 ( 0.671 -4.287 -0.636) 4.385 1.949 ( 0.671 4.287 -0.636) 4.385 2.071 ( -1.277 -4.552 1.521) 4.966 2.071 ( -1.277 4.552 1.521) 4.966 2.265 ( -4.003 -1.482 0.025) 4.269 2.265 ( -4.003 1.482 0.025) 4.269 2.446 ( -1.815 -3.069 -1.948) 4.063 2.446 ( -1.815 3.069 -1.948) 4.063 2.668 ( 5.137 -4.653 0.953) 6.997 2.668 ( 5.137 4.654 0.953) 6.997 2.809 ( 4.766 -4.106 0.168) 6.293 2.809 ( 4.766 4.106 0.168) 6.293 2.917 ( -0.833 -4.352 0.879) 4.518 2.917 ( -0.833 4.352 0.879) 4.518 3.074 ( 0.634 -4.276 -2.269) 4.882 3.074 ( 0.634 4.276 -2.269) 4.882 3.773 ( 3.741 -3.603 3.538) 6.284 3.773 ( 3.741 3.603 3.538) 6.284 3.906 ( -5.355 -2.995 -2.481) 6.618 3.906 ( -5.355 2.995 -2.481) 6.618 4.127 ( -3.488 -2.334 -2.007) 4.652 4.127 ( -3.488 2.334 -2.007) 4.652 4.370 ( -0.481 -2.975 4.877) 5.733 4.370 ( -0.481 2.975 4.877) 5.733 4.522 ( 1.927 -5.448 0.615) 5.811 4.522 ( 1.927 5.448 0.615) 5.811 4.619 ( -4.666 -4.790 2.348) 7.087 4.619 ( -4.666 4.790 2.348) 7.087 4.705 ( 6.781 -3.701 1.493) 7.868 4.705 ( 6.781 3.701 1.493) 7.868 4.909 ( 6.165 -3.735 4.116) 8.300 4.909 ( 6.165 3.735 4.116) 8.300 5.053 ( 5.124 -2.597 4.559) 7.334 5.053 ( 5.124 2.597 4.559) 7.334 5.247 ( -1.552 -1.944 1.021) 2.689 5.247 ( -1.552 1.944 1.021) 2.689 5.346 ( -0.412 -5.324 1.495) 5.546 5.346 ( -0.412 5.324 1.495) 5.546 5.518 ( 1.919 -1.580 1.727) 3.027 5.518 ( 1.919 1.580 1.727) 3.027 5.629 ( -1.950 -2.825 7.087) 7.875 5.629 ( -1.950 2.825 7.087) 7.875 5.696 ( 2.105 -2.743 4.777) 5.897 5.696 ( 2.105 2.743 4.777) 5.897 5.815 ( 1.757 -2.100 7.236) 7.737 5.815 ( 1.757 2.100 7.236) 7.737 6.057 ( -0.563 -5.592 -0.648) 5.658 6.057 ( -0.563 5.592 -0.648) 5.658 6.299 ( 3.643 -2.994 -0.167) 4.719 6.299 ( 3.643 2.994 -0.167) 4.719 6.475 ( -5.304 -3.032 -1.373) 6.262 6.475 ( -5.304 3.032 -1.373) 6.262 6.579 ( -3.988 -1.672 1.496) 4.575 6.579 ( -3.988 1.672 1.496) 4.575 6.669 ( 4.115 -2.679 5.202) 7.153 6.669 ( 4.115 2.679 5.202) 7.153 6.912 ( 1.441 -2.765 -3.223) 4.484 6.912 ( 1.441 2.765 -3.223) 4.484 7.064 ( -4.037 -6.962 2.996) 8.587 7.064 ( -4.037 6.962 2.996) 8.587 7.185 ( -1.225 -7.606 0.740) 7.740 7.185 ( -1.225 7.606 0.740) 7.740 7.404 ( -2.979 -2.368 -1.925) 4.264 7.404 ( -2.979 2.368 -1.925) 4.264 7.696 ( 3.224 -9.130 -4.789) 10.802 7.696 ( 3.224 9.130 -4.789) 10.802 7.842 ( -4.184 -0.803 -3.215) 5.338 7.842 ( -4.184 0.803 -3.215) 5.338 7.904 ( 1.287 -6.146 -4.669) 7.825 7.904 ( 1.287 6.146 -4.669) 7.825 8.072 ( -2.991 -1.685 -4.262) 5.473 8.072 ( -2.991 1.685 -4.262) 5.473 8.180 ( 1.600 -5.383 -0.984) 5.702 8.180 ( 1.600 5.383 -0.984) 5.702 8.475 ( -2.867 -7.039 -3.225) 8.257 8.475 ( -2.867 7.039 -3.225) 8.257 8.590 ( 0.051 -8.353 5.774) 10.155 8.590 ( 0.051 8.353 5.774) 10.155 8.746 ( 3.740 -5.182 0.223) 6.394 8.746 ( 3.740 5.182 0.223) 6.394 8.904 ( 4.679 -0.483 -0.026) 4.704 8.904 ( 4.679 0.483 -0.026) 4.704 9.034 ( -1.578 -3.765 -0.735) 4.148 9.034 ( -1.578 3.765 -0.735) 4.148 9.155 ( 0.785 -3.205 -2.602) 4.202 9.155 ( 0.785 3.205 -2.602) 4.202 9.281 ( -2.801 -4.118 -5.763) 7.616 9.281 ( -2.801 4.118 -5.763) 7.616 9.471 ( 4.384 -0.827 1.395) 4.675 9.471 ( 4.384 0.827 1.395) 4.675 9.581 ( 4.085 -3.489 -1.976) 5.724 9.581 ( 4.085 3.489 -1.976) 5.724 9.931 ( -10.388 -0.229 -0.344) 10.396 9.931 ( -10.388 0.229 -0.344) 10.396 10.097 ( -4.882 -0.605 -1.054) 5.031 10.097 ( -4.882 0.605 -1.054) 5.031 11.496 ( -0.405 -0.587 2.861) 2.949 11.496 ( -0.405 0.587 2.861) 2.949 11.601 ( 0.665 -0.717 -2.109) 2.325 11.601 ( 0.665 0.717 -2.109) 2.325 11.978 ( 0.262 -1.259 1.498) 1.975 11.978 ( 0.262 1.259 1.498) 1.975 12.062 ( -0.292 -1.617 -0.008) 1.643 12.062 ( -0.292 1.617 -0.008) 1.643 12.472 ( -0.800 -1.179 1.923) 2.393 12.472 ( -0.800 1.179 1.923) 2.393 12.607 ( -0.559 -2.036 1.006) 2.339 12.607 ( -0.559 2.036 1.006) 2.339 12.658 ( -0.135 -1.252 3.215) 3.453 12.658 ( -0.135 1.252 3.215) 3.453 12.809 ( -1.211 -3.533 -1.137) 3.904 12.809 ( -1.211 3.533 -1.137) 3.904 12.995 ( 1.312 -1.444 -1.365) 2.381 12.995 ( 1.312 1.444 -1.365) 2.381 13.152 ( -3.967 -2.113 -0.108) 4.496 13.152 ( -3.967 2.113 -0.108) 4.496 13.695 ( 0.184 -1.856 2.753) 3.326 13.695 ( 0.184 1.856 2.753) 3.326 13.787 ( 1.154 -0.403 -0.810) 1.467 13.787 ( 1.154 0.403 -0.810) 1.467 14.297 ( 4.093 -0.362 -2.528) 4.825 14.297 ( 4.093 0.362 -2.528) 4.825 14.402 ( 0.248 -1.829 -0.893) 2.050 14.402 ( 0.248 1.829 -0.893) 2.050 14.465 ( 2.459 -0.568 -3.708) 4.486 14.465 ( 2.459 0.568 -3.708) 4.486 14.878 ( -0.387 -2.343 1.473) 2.794 14.878 ( -0.387 2.343 1.473) 2.794 17.482 ( -0.744 -0.403 0.337) 0.911 17.482 ( -0.744 0.403 0.337) 0.911 17.734 ( 1.112 -0.466 1.499) 1.923 17.734 ( 1.112 0.466 1.499) 1.923 17.854 ( -3.331 -0.338 2.961) 4.469 17.854 ( -3.331 0.338 2.961) 4.469 17.922 ( -5.114 -0.718 0.692) 5.211 17.922 ( -5.114 0.718 0.692) 5.211 18.466 ( 0.801 -0.620 -0.951) 1.390 18.466 ( 0.801 0.620 -0.951) 1.390 18.609 ( -1.022 -1.039 0.968) 1.750 18.609 ( -1.022 1.039 0.968) 1.750 18.831 ( 2.899 -1.229 3.527) 4.728 18.831 ( 2.899 1.229 3.527) 4.728 18.920 ( 4.049 -0.496 -0.121) 4.082 18.920 ( 4.049 0.496 -0.121) 4.082 19.682 ( 0.221 -3.896 -1.435) 4.158 19.682 ( 0.221 3.896 -1.435) 4.158 19.838 ( 0.311 -1.139 -0.605) 1.327 19.838 ( 0.311 1.139 -0.605) 1.327 19.947 ( -0.158 -0.184 -0.383) 0.453 19.947 ( -0.158 0.184 -0.383) 0.453 20.304 ( 0.622 -0.776 -0.118) 1.001 20.304 ( 0.622 0.776 -0.118) 1.001 20.581 ( -0.215 -0.369 0.247) 0.493 20.581 ( -0.215 0.369 0.247) 0.493 20.710 ( 0.206 -1.328 -0.301) 1.377 20.710 ( 0.206 1.328 -0.301) 1.377 20.908 ( -0.139 -1.560 -0.311) 1.596 20.908 ( -0.139 1.560 -0.311) 1.596 21.137 ( 0.519 -0.216 -1.493) 1.595 21.137 ( 0.519 0.216 -1.493) 1.595 24.572 ( -0.976 -0.505 0.435) 1.183 24.572 ( -0.976 0.505 0.435) 1.183 24.615 ( -1.979 -0.192 -0.465) 2.042 24.615 ( -1.979 0.192 -0.465) 2.042 24.998 ( 1.450 -0.096 0.466) 1.526 24.998 ( 1.450 0.096 0.466) 1.526 25.121 ( 0.563 -0.401 -0.370) 0.784 25.121 ( 0.563 0.401 -0.370) 0.784 28.467 ( 1.534 -0.853 -0.301) 1.781 28.467 ( 1.534 0.853 -0.301) 1.781 28.495 ( 0.522 -1.194 -0.930) 1.601 28.495 ( 0.522 1.194 -0.930) 1.601 28.574 ( -1.140 -0.921 -0.594) 1.582 28.574 ( -1.140 0.921 -0.594) 1.582 28.604 ( -0.407 -0.959 -0.467) 1.142 28.604 ( -0.407 0.959 -0.467) 1.142 35.410 ( -0.491 -0.244 2.727) 2.782 35.410 ( -0.491 0.244 2.727) 2.782 35.530 ( 2.829 -0.996 -3.398) 4.533 35.530 ( 2.829 0.996 -3.398) 4.533 36.345 ( -0.073 -2.241 2.823) 3.605 36.345 ( -0.073 2.241 2.823) 3.605 36.858 ( 0.991 -8.419 -9.584) 12.795 36.858 ( 0.991 8.419 -9.584) 12.795 37.678 ( -0.206 -2.146 1.897) 2.872 37.678 ( -0.206 2.146 1.897) 2.872 37.895 ( 2.444 -1.456 -3.404) 4.436 37.895 ( 2.444 1.456 -3.404) 4.436 38.130 ( -1.811 -3.005 -2.387) 4.243 38.130 ( -1.811 3.005 -2.387) 4.243 38.284 ( 1.401 -2.730 -2.244) 3.801 38.284 ( 1.401 2.730 -2.244) 3.801 38.751 ( 0.133 -1.244 0.458) 1.332 38.751 ( 0.133 1.244 0.458) 1.332 39.080 ( 3.278 -2.233 0.160) 3.970 39.080 ( 3.278 2.233 0.160) 3.970 39.335 ( -4.354 -0.246 -0.086) 4.362 39.335 ( -4.354 0.246 -0.086) 4.362 39.459 ( -0.763 -2.657 -1.588) 3.188 39.459 ( -0.763 2.657 -1.588) 3.188 39.882 ( -1.836 -3.629 0.180) 4.071 39.882 ( -1.836 3.629 0.180) 4.071 40.079 ( 3.559 -3.365 5.593) 7.434 40.079 ( 3.559 3.365 5.593) 7.434 40.588 ( -2.471 -3.449 4.900) 6.481 40.588 ( -2.471 3.449 4.900) 6.481 41.017 ( -0.114 -9.167 -1.469) 9.285 41.017 ( -0.114 9.167 -1.469) 9.285 ======================= Grid point 97 (56/66) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.416 -2.371 6.275) 6.855 1.351 ( 1.416 2.371 6.275) 6.855 1.696 ( -5.351 -3.029 4.792) 7.796 1.696 ( -5.351 3.029 4.792) 7.796 1.769 ( 2.894 -2.301 0.185) 3.702 1.769 ( 2.894 2.301 0.185) 3.702 1.850 ( 2.030 -1.553 0.764) 2.668 1.850 ( 2.030 1.553 0.764) 2.668 1.976 ( -1.771 -3.021 3.797) 5.166 1.976 ( -1.771 3.021 3.797) 5.166 2.038 ( 0.552 -3.646 -1.940) 4.167 2.038 ( 0.552 3.646 -1.940) 4.167 2.249 ( 2.338 -3.219 0.639) 4.029 2.249 ( 2.338 3.219 0.639) 4.029 2.417 ( -0.600 -0.860 -0.940) 1.408 2.417 ( -0.600 0.860 -0.940) 1.408 2.717 ( -1.397 -4.566 2.396) 5.343 2.717 ( -1.397 4.566 2.396) 5.343 2.854 ( -2.494 -5.179 2.190) 6.151 2.854 ( -2.494 5.179 2.190) 6.151 2.905 ( 1.693 -1.984 -3.263) 4.177 2.905 ( 1.693 1.983 -3.263) 4.177 3.098 ( 2.304 -0.611 -2.237) 3.269 3.098 ( 2.304 0.611 -2.237) 3.269 3.754 ( -7.507 -4.606 2.935) 9.283 3.754 ( -7.507 4.606 2.935) 9.283 3.893 ( 5.383 -4.942 3.972) 8.317 3.893 ( 5.383 4.942 3.972) 8.317 4.083 ( 0.129 -4.802 -4.664) 6.696 4.083 ( 0.129 4.802 -4.664) 6.696 4.376 ( -0.420 -3.690 0.066) 3.714 4.376 ( -0.420 3.690 0.066) 3.714 4.510 ( -1.593 -3.884 2.483) 4.877 4.510 ( -1.593 3.884 2.483) 4.877 4.562 ( -1.392 -1.463 0.904) 2.213 4.562 ( -1.392 1.463 0.904) 2.213 4.833 ( -1.389 -7.587 5.993) 9.768 4.833 ( -1.389 7.587 5.993) 9.768 4.901 ( -4.371 -1.295 4.152) 6.166 4.901 ( -4.371 1.295 4.152) 6.166 5.164 ( -0.652 -1.601 2.108) 2.726 5.164 ( -0.652 1.601 2.108) 2.726 5.263 ( 0.929 -4.808 5.595) 7.435 5.263 ( 0.929 4.808 5.595) 7.435 5.406 ( 3.977 -0.339 0.288) 4.002 5.406 ( 3.977 0.339 0.288) 4.002 5.499 ( -1.369 -4.054 0.454) 4.303 5.499 ( -1.369 4.054 0.454) 4.303 5.595 ( 0.899 -4.068 1.432) 4.405 5.595 ( 0.899 4.068 1.432) 4.405 5.785 ( -1.780 -0.544 5.820) 6.111 5.785 ( -1.780 0.544 5.820) 6.111 5.908 ( 3.460 -4.488 7.469) 9.376 5.908 ( 3.460 4.488 7.469) 9.376 6.102 ( 5.327 -3.098 3.832) 7.256 6.102 ( 5.327 3.098 3.832) 7.256 6.288 ( -3.599 -3.407 5.125) 7.130 6.288 ( -3.599 3.407 5.125) 7.130 6.396 ( -5.509 -4.050 -2.027) 7.131 6.396 ( -5.509 4.050 -2.027) 7.131 6.568 ( 4.109 -5.409 -2.383) 7.199 6.568 ( 4.109 5.409 -2.383) 7.199 6.770 ( 4.129 -2.966 2.881) 5.844 6.770 ( 4.129 2.966 2.881) 5.844 6.833 ( -6.908 -0.684 -6.595) 9.575 6.833 ( -6.908 0.684 -6.595) 9.575 7.046 ( 3.521 -3.452 -1.012) 5.034 7.046 ( 3.521 3.452 -1.012) 5.034 7.187 ( -0.563 -6.065 6.188) 8.682 7.187 ( -0.563 6.065 6.188) 8.682 7.392 ( 1.340 -4.559 1.905) 5.119 7.392 ( 1.340 4.559 1.905) 5.119 7.593 ( -6.920 -8.247 -4.441) 11.646 7.593 ( -6.920 8.247 -4.441) 11.646 7.713 ( -3.566 -1.599 -2.264) 4.516 7.713 ( -3.566 1.599 -2.264) 4.516 7.950 ( 3.472 -5.844 -8.354) 10.770 7.950 ( 3.472 5.844 -8.354) 10.770 8.061 ( -2.634 -2.619 -1.357) 3.955 8.061 ( -2.634 2.619 -1.357) 3.955 8.220 ( 6.635 -1.458 -0.834) 6.844 8.220 ( 6.635 1.458 -0.834) 6.844 8.474 ( 2.910 -7.453 -4.797) 9.329 8.474 ( 2.910 7.453 -4.797) 9.329 8.577 ( -3.643 -10.742 4.244) 12.111 8.577 ( -3.643 10.742 4.244) 12.111 8.767 ( -0.906 -7.428 2.256) 7.815 8.767 ( -0.906 7.428 2.256) 7.815 8.941 ( -0.094 -1.591 2.644) 3.087 8.941 ( -0.094 1.591 2.644) 3.087 9.053 ( 1.929 -2.577 -1.643) 3.614 9.053 ( 1.929 2.577 -1.643) 3.614 9.140 ( -1.407 -2.770 -5.509) 6.325 9.140 ( -1.407 2.770 -5.509) 6.325 9.226 ( -0.251 -1.354 -4.852) 5.043 9.226 ( -0.251 1.354 -4.852) 5.043 9.547 ( 1.149 -1.099 0.517) 1.672 9.547 ( 1.149 1.099 0.517) 1.672 9.649 ( 0.595 -0.533 -2.490) 2.615 9.649 ( 0.595 0.534 -2.490) 2.615 9.794 ( 1.994 -0.745 -0.663) 2.229 9.794 ( 1.994 0.745 -0.663) 2.229 9.993 ( -2.066 -0.652 -1.073) 2.418 9.993 ( -2.066 0.652 -1.073) 2.418 11.498 ( -0.676 -1.160 2.801) 3.106 11.498 ( -0.676 1.160 2.801) 3.106 11.603 ( 0.452 -0.464 -2.110) 2.207 11.603 ( 0.452 0.464 -2.110) 2.207 11.994 ( 0.410 -0.781 0.962) 1.305 11.994 ( 0.410 0.781 0.962) 1.305 12.055 ( -0.390 -2.065 0.504) 2.161 12.055 ( -0.390 2.065 0.504) 2.161 12.491 ( 2.139 -0.466 0.262) 2.205 12.491 ( 2.139 0.466 0.262) 2.205 12.595 ( -1.068 -2.056 0.781) 2.444 12.595 ( -1.068 2.056 0.781) 2.444 12.692 ( 1.671 -0.851 2.616) 3.218 12.692 ( 1.671 0.851 2.616) 3.218 12.803 ( 1.265 -2.826 -1.396) 3.396 12.803 ( 1.265 2.826 -1.396) 3.396 13.014 ( -1.859 -0.884 -1.283) 2.426 13.014 ( -1.859 0.884 -1.283) 2.426 13.095 ( 2.448 -0.938 -0.831) 2.750 13.095 ( 2.448 0.938 -0.831) 2.750 13.663 ( -4.723 -1.316 5.670) 7.495 13.663 ( -4.723 1.316 5.670) 7.495 13.780 ( -1.692 -1.287 0.632) 2.218 13.780 ( -1.692 1.287 0.632) 2.218 14.306 ( -3.893 -1.775 0.949) 4.382 14.306 ( -3.893 1.775 0.949) 4.382 14.394 ( 0.754 -1.657 -2.719) 3.273 14.394 ( 0.754 1.657 -2.719) 3.273 14.487 ( 1.010 -0.869 -3.045) 3.324 14.487 ( 1.010 0.869 -3.045) 3.324 14.905 ( 2.004 -0.936 -0.177) 2.219 14.905 ( 2.004 0.936 -0.177) 2.219 17.467 ( -0.615 -0.178 0.870) 1.080 17.467 ( -0.615 0.178 0.870) 1.080 17.741 ( -2.723 -0.314 3.605) 4.529 17.741 ( -2.723 0.314 3.605) 4.529 17.831 ( 1.222 -0.759 0.499) 1.523 17.831 ( 1.222 0.759 0.499) 1.523 17.906 ( 4.594 -1.425 -2.036) 5.223 17.906 ( 4.594 1.425 -2.036) 5.223 18.446 ( -2.164 -0.428 0.451) 2.252 18.446 ( -2.164 0.428 0.451) 2.252 18.613 ( 0.496 -0.442 0.109) 0.673 18.613 ( 0.496 0.442 0.109) 0.673 18.869 ( -1.356 -0.863 4.304) 4.594 18.869 ( -1.356 0.863 4.304) 4.594 18.982 ( 1.470 -1.261 -0.501) 2.001 18.982 ( 1.470 1.261 -0.501) 2.001 19.682 ( 0.420 -3.653 -1.433) 3.946 19.682 ( 0.420 3.653 -1.433) 3.946 19.840 ( 0.117 -1.194 -0.687) 1.383 19.840 ( 0.117 1.194 -0.687) 1.383 19.942 ( -0.029 -0.185 -0.357) 0.403 19.942 ( -0.029 0.185 -0.357) 0.403 20.316 ( 0.443 -0.633 -0.406) 0.873 20.316 ( 0.443 0.633 -0.406) 0.873 20.578 ( -0.143 -0.347 0.317) 0.491 20.578 ( -0.143 0.347 0.317) 0.491 20.714 ( 0.246 -1.157 -0.447) 1.265 20.714 ( 0.246 1.157 -0.447) 1.265 20.903 ( -0.164 -1.284 0.037) 1.295 20.903 ( -0.164 1.284 0.037) 1.295 21.140 ( 0.389 -0.415 -1.508) 1.611 21.140 ( 0.389 0.415 -1.508) 1.611 24.563 ( -0.329 -0.329 0.495) 0.680 24.563 ( -0.329 0.329 0.495) 0.680 24.582 ( -0.177 -0.227 -0.547) 0.618 24.582 ( -0.177 0.227 -0.547) 0.618 25.022 ( 0.108 -0.437 0.878) 0.987 25.022 ( 0.108 0.437 0.878) 0.987 25.123 ( -0.144 -0.154 -0.508) 0.550 25.123 ( -0.144 0.154 -0.508) 0.550 28.476 ( -0.687 -0.341 -0.512) 0.922 28.476 ( -0.687 0.341 -0.512) 0.922 28.512 ( 0.922 -1.332 -0.285) 1.645 28.512 ( 0.922 1.332 -0.285) 1.645 28.552 ( -0.158 -0.659 -0.883) 1.113 28.552 ( -0.158 0.659 -0.883) 1.113 28.601 ( 0.425 -0.356 -0.597) 0.814 28.601 ( 0.425 0.356 -0.597) 0.814 35.410 ( -0.655 -0.680 2.597) 2.764 35.410 ( -0.655 0.680 2.597) 2.764 35.575 ( 2.667 -1.595 -5.627) 6.428 35.575 ( 2.667 1.595 -5.627) 6.428 36.358 ( 0.008 -2.223 2.323) 3.216 36.358 ( 0.008 2.223 2.323) 3.216 36.812 ( -1.155 -7.730 -7.329) 10.714 36.812 ( -1.155 7.730 -7.329) 10.714 37.698 ( 1.057 -2.414 2.197) 3.431 37.698 ( 1.057 2.414 2.197) 3.431 37.919 ( 0.999 -1.934 -4.713) 5.192 37.919 ( 0.999 1.934 -4.713) 5.192 38.089 ( -0.387 -1.481 -2.192) 2.674 38.089 ( -0.387 1.481 -2.192) 2.674 38.300 ( 0.782 -1.745 -1.941) 2.724 38.300 ( 0.782 1.745 -1.941) 2.724 38.760 ( 0.446 -1.731 0.836) 1.973 38.760 ( 0.446 1.731 0.836) 1.973 39.126 ( -0.870 -2.703 -0.518) 2.886 39.126 ( -0.870 2.703 -0.518) 2.886 39.266 ( -0.402 -0.373 0.227) 0.594 39.266 ( -0.402 0.373 0.227) 0.594 39.415 ( -1.382 -1.984 -1.266) 2.730 39.415 ( -1.382 1.984 -1.266) 2.730 39.859 ( -0.947 -2.102 0.695) 2.408 39.859 ( -0.947 2.102 0.695) 2.408 40.202 ( 4.201 -3.363 7.098) 8.907 40.202 ( 4.201 3.363 7.098) 8.907 40.566 ( -0.680 -6.121 1.623) 6.369 40.566 ( -0.680 6.121 1.623) 6.369 40.979 ( -2.774 -6.971 -0.042) 7.503 40.979 ( -2.774 6.971 -0.042) 7.503 ======================= Grid point 99 (57/66) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 1.328 -1.687 5.242) 5.665 1.421 ( 1.328 1.687 5.242) 5.665 1.570 ( -6.397 -1.530 3.279) 7.349 1.570 ( -6.397 1.530 3.279) 7.349 1.810 ( 1.459 -2.552 -2.281) 3.721 1.810 ( 1.459 2.552 -2.281) 3.721 1.869 ( -0.192 -4.560 4.872) 6.676 1.869 ( -0.192 4.560 4.872) 6.676 1.983 ( 0.722 -2.446 0.009) 2.551 1.983 ( 0.722 2.446 0.009) 2.551 2.087 ( 2.095 -4.400 -0.230) 4.878 2.087 ( 2.095 4.400 -0.230) 4.879 2.310 ( 3.072 -2.273 -0.867) 3.919 2.310 ( 3.072 2.273 -0.867) 3.919 2.418 ( 1.916 -6.138 -0.381) 6.441 2.418 ( 1.916 6.138 -0.381) 6.441 2.679 ( -2.322 -5.779 4.266) 7.549 2.679 ( -2.322 5.779 4.266) 7.549 2.729 ( -9.104 -5.356 0.583) 10.578 2.729 ( -9.104 5.356 0.583) 10.578 2.936 ( 0.882 -4.212 -0.826) 4.382 2.936 ( 0.882 4.212 -0.826) 4.382 3.122 ( 0.888 -2.392 -3.581) 4.396 3.122 ( 0.888 2.392 -3.581) 4.396 3.678 ( -1.486 -4.394 5.211) 6.976 3.678 ( -1.486 4.394 5.211) 6.976 3.954 ( -0.533 -1.209 -0.917) 1.608 3.954 ( -0.533 1.209 -0.917) 1.608 4.124 ( 5.559 -5.788 -1.407) 8.148 4.124 ( 5.559 5.788 -1.407) 8.148 4.401 ( 1.833 -2.832 3.242) 4.678 4.401 ( 1.833 2.832 3.242) 4.678 4.471 ( -2.786 -6.620 3.635) 8.051 4.471 ( -2.786 6.620 3.635) 8.051 4.564 ( -0.455 -2.683 0.935) 2.877 4.564 ( -0.455 2.683 0.935) 2.877 4.698 ( -5.175 -3.408 1.867) 6.472 4.698 ( -5.175 3.408 1.867) 6.472 4.866 ( -5.889 -7.556 4.257) 10.483 4.866 ( -5.889 7.556 4.257) 10.483 5.054 ( -7.677 -1.342 5.691) 9.650 5.054 ( -7.677 1.342 5.691) 9.650 5.316 ( -0.352 -4.946 3.435) 6.032 5.316 ( -0.352 4.946 3.435) 6.032 5.402 ( -2.752 -6.759 -2.735) 7.793 5.402 ( -2.752 6.759 -2.735) 7.793 5.465 ( 0.009 -2.612 7.253) 7.709 5.465 ( 0.009 2.612 7.253) 7.709 5.593 ( -3.134 -6.891 2.089) 7.853 5.593 ( -3.134 6.891 2.089) 7.853 5.784 ( -4.681 -3.835 4.740) 7.687 5.784 ( -4.681 3.835 4.740) 7.687 5.963 ( -0.416 -2.888 1.684) 3.369 5.963 ( -0.416 2.888 1.684) 3.369 6.173 ( -1.640 -4.011 -1.665) 4.643 6.173 ( -1.640 4.011 -1.665) 4.643 6.289 ( 1.973 -2.595 4.729) 5.744 6.289 ( 1.973 2.595 4.729) 5.744 6.303 ( 0.649 -2.732 -3.217) 4.270 6.303 ( 0.649 2.731 -3.217) 4.270 6.565 ( -3.370 -1.938 -0.658) 3.942 6.565 ( -3.370 1.938 -0.658) 3.942 6.704 ( 0.990 -1.989 3.897) 4.486 6.704 ( 0.990 1.989 3.897) 4.486 6.917 ( 2.487 -1.491 -1.899) 3.467 6.917 ( 2.487 1.491 -1.899) 3.467 7.095 ( 3.676 -1.534 -0.262) 3.992 7.095 ( 3.676 1.534 -0.262) 3.992 7.253 ( 0.539 -1.021 1.204) 1.668 7.253 ( 0.539 1.021 1.204) 1.668 7.337 ( -1.071 -1.474 -2.107) 2.785 7.337 ( -1.071 1.474 -2.107) 2.785 7.544 ( 1.446 -4.050 -2.916) 5.196 7.544 ( 1.446 4.050 -2.916) 5.196 7.754 ( 7.026 -2.912 0.793) 7.647 7.754 ( 7.026 2.912 0.793) 7.647 7.944 ( -0.946 -5.632 -5.631) 8.020 7.944 ( -0.946 5.632 -5.631) 8.020 8.032 ( 1.425 -5.912 1.554) 6.276 8.032 ( 1.425 5.912 1.554) 6.276 8.337 ( 4.651 -2.346 -1.848) 5.528 8.337 ( 4.651 2.346 -1.848) 5.528 8.452 ( -1.676 -9.193 -7.194) 11.793 8.452 ( -1.676 9.193 -7.194) 11.793 8.570 ( -0.990 -5.701 3.985) 7.026 8.570 ( -0.990 5.701 3.985) 7.026 8.722 ( -3.079 -9.656 3.843) 10.839 8.722 ( -3.079 9.656 3.843) 10.839 8.937 ( -3.683 -0.833 -0.304) 3.788 8.937 ( -3.683 0.833 -0.304) 3.788 9.040 ( -0.959 -4.231 0.826) 4.416 9.040 ( -0.959 4.231 0.826) 4.416 9.140 ( 4.893 -2.047 -4.261) 6.803 9.140 ( 4.893 2.047 -4.261) 6.803 9.221 ( 1.826 -4.725 -4.649) 6.876 9.221 ( 1.826 4.725 -4.649) 6.876 9.525 ( -2.261 -4.001 -1.500) 4.834 9.525 ( -2.261 4.001 -1.500) 4.834 9.570 ( -4.500 -2.844 -0.874) 5.395 9.570 ( -4.500 2.844 -0.874) 5.395 9.954 ( 9.353 -1.190 0.182) 9.430 9.954 ( 9.353 1.190 0.182) 9.430 10.056 ( 6.118 -1.525 -0.446) 6.321 10.056 ( 6.118 1.525 -0.446) 6.321 11.494 ( -0.795 -1.112 2.724) 3.047 11.494 ( -0.795 1.112 2.724) 3.047 11.600 ( 0.163 -0.935 -1.930) 2.151 11.600 ( 0.163 0.935 -1.930) 2.151 11.991 ( -0.924 -1.069 0.944) 1.699 11.991 ( -0.924 1.069 0.944) 1.699 12.058 ( 0.499 -1.038 0.000) 1.152 12.058 ( 0.499 1.038 0.000) 1.152 12.542 ( 0.815 -0.651 2.237) 2.468 12.542 ( 0.815 0.651 2.237) 2.468 12.577 ( 0.607 -2.541 -2.021) 3.303 12.577 ( 0.607 2.541 -2.021) 3.303 12.690 ( -2.812 -1.846 3.161) 4.616 12.690 ( -2.812 1.846 3.161) 4.616 12.849 ( 2.746 -0.638 -3.575) 4.553 12.849 ( 2.746 0.638 -3.575) 4.553 12.977 ( 1.223 -2.083 -1.778) 2.999 12.977 ( 1.223 2.083 -1.778) 2.999 13.181 ( 2.757 -1.681 1.097) 3.410 13.181 ( 2.757 1.681 1.097) 3.410 13.602 ( -2.218 -0.314 5.795) 6.212 13.602 ( -2.218 0.314 5.795) 6.212 13.741 ( -1.715 -1.998 0.651) 2.712 13.741 ( -1.715 1.998 0.651) 2.712 14.245 ( -1.183 -1.820 0.378) 2.203 14.245 ( -1.183 1.820 0.378) 2.203 14.341 ( -4.185 -2.394 0.566) 4.854 14.341 ( -4.185 2.394 0.566) 4.854 14.505 ( 1.241 -1.026 -3.615) 3.958 14.505 ( 1.241 1.026 -3.615) 3.958 14.924 ( -0.105 -0.809 -0.661) 1.050 14.924 ( -0.105 0.809 -0.661) 1.050 17.470 ( 0.433 -0.343 0.728) 0.914 17.470 ( 0.433 0.343 0.728) 0.914 17.710 ( -0.895 -1.003 2.301) 2.665 17.710 ( -0.895 1.003 2.301) 2.665 17.888 ( 3.341 -0.853 0.026) 3.448 17.888 ( 3.341 0.853 0.026) 3.448 18.006 ( 4.207 -1.425 -1.780) 4.785 18.006 ( 4.207 1.425 -1.780) 4.785 18.405 ( -1.715 -0.370 2.016) 2.673 18.405 ( -1.715 0.370 2.016) 2.673 18.629 ( 1.522 -0.416 0.182) 1.589 18.629 ( 1.522 0.416 0.182) 1.589 18.813 ( -5.180 -0.434 2.764) 5.887 18.813 ( -5.180 0.434 2.764) 5.887 18.958 ( -3.495 -1.350 -0.515) 3.782 18.958 ( -3.495 1.350 -0.515) 3.782 19.684 ( 0.416 -3.584 -1.629) 3.959 19.684 ( 0.416 3.584 -1.629) 3.959 19.838 ( -0.058 -1.138 -0.529) 1.256 19.838 ( -0.058 1.138 -0.529) 1.256 19.944 ( 0.313 -0.148 -0.294) 0.454 19.944 ( 0.313 0.148 -0.294) 0.454 20.313 ( -0.461 -0.656 -0.667) 1.043 20.313 ( -0.461 0.656 -0.667) 1.043 20.579 ( 0.074 -0.357 0.391) 0.535 20.579 ( 0.074 0.357 0.391) 0.535 20.714 ( -0.068 -1.312 -0.421) 1.379 20.714 ( -0.068 1.312 -0.421) 1.379 20.904 ( 0.282 -1.470 -0.262) 1.520 20.904 ( 0.282 1.470 -0.262) 1.520 21.138 ( 0.124 -0.449 -1.527) 1.596 21.138 ( 0.124 0.449 -1.527) 1.596 24.565 ( 0.659 -0.225 0.618) 0.931 24.565 ( 0.659 0.225 0.618) 0.931 24.609 ( 2.159 -0.461 -0.011) 2.208 24.609 ( 2.159 0.461 -0.011) 2.208 25.005 ( -1.640 -0.847 0.283) 1.867 25.005 ( -1.640 0.847 0.283) 1.867 25.116 ( -0.393 -0.504 -0.196) 0.668 25.116 ( -0.393 0.504 -0.196) 0.668 28.455 ( -0.989 -0.478 0.020) 1.099 28.455 ( -0.989 0.478 0.020) 1.099 28.502 ( -0.754 -0.521 -0.846) 1.247 28.502 ( -0.754 0.521 -0.846) 1.247 28.573 ( 1.644 -1.187 -0.775) 2.171 28.573 ( 1.644 1.187 -0.775) 2.171 28.610 ( 0.570 -0.231 -0.689) 0.924 28.610 ( 0.570 0.231 -0.689) 0.924 35.408 ( -0.581 -0.807 2.317) 2.521 35.408 ( -0.581 0.807 2.317) 2.521 35.566 ( -1.072 -1.430 -5.302) 5.595 35.566 ( -1.072 1.430 -5.302) 5.595 36.357 ( -1.096 -2.255 2.332) 3.424 36.357 ( -1.096 2.255 2.332) 3.424 36.792 ( 2.390 -7.990 -5.741) 10.125 36.792 ( 2.390 7.990 -5.741) 10.125 37.716 ( -0.493 -1.790 1.362) 2.303 37.716 ( -0.493 1.790 1.362) 2.303 37.895 ( -0.588 -2.504 -5.064) 5.680 37.895 ( -0.588 2.504 -5.064) 5.680 38.109 ( 2.638 -0.858 -1.615) 3.210 38.109 ( 2.638 0.858 -1.615) 3.210 38.292 ( -0.489 -1.057 -2.236) 2.522 38.292 ( -0.489 1.057 -2.236) 2.522 38.768 ( -0.144 -2.575 0.045) 2.580 38.768 ( -0.144 2.575 0.045) 2.580 39.055 ( -3.472 -0.307 0.580) 3.533 39.055 ( -3.472 0.307 0.580) 3.533 39.331 ( 4.725 -1.465 0.440) 4.966 39.331 ( 4.725 1.465 0.440) 4.966 39.415 ( 0.995 -0.308 0.325) 1.092 39.415 ( 0.995 0.308 0.325) 1.092 39.836 ( -1.460 -0.554 2.176) 2.678 39.836 ( -1.460 0.554 2.176) 2.678 40.243 ( -2.662 -3.454 0.313) 4.372 40.243 ( -2.662 3.454 0.313) 4.372 40.582 ( 0.980 -4.718 2.885) 5.616 40.582 ( 0.980 4.718 2.885) 5.616 40.948 ( 0.028 -4.649 2.208) 5.146 40.948 ( 0.028 4.649 2.208) 5.146 ======================= Grid point 105 (58/66) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -2.098 0.000 0.698) 2.211 1.498 ( 2.098 0.000 -0.698) 2.211 1.637 ( 0.196 0.000 -0.181) 0.267 1.637 ( -0.196 0.000 0.181) 0.267 1.723 ( 2.231 0.000 -5.111) 5.576 1.723 ( -2.231 0.000 5.111) 5.576 1.837 ( 1.219 0.000 -2.390) 2.683 1.837 ( -1.219 0.000 2.390) 2.683 1.990 ( 1.745 0.000 -4.524) 4.848 1.990 ( -1.745 0.000 4.524) 4.848 2.164 ( -0.480 0.000 -0.119) 0.495 2.164 ( 0.480 0.000 0.119) 0.495 2.330 ( -0.255 0.000 -2.040) 2.056 2.330 ( 0.255 0.000 2.040) 2.056 2.477 ( -7.064 0.000 -2.918) 7.643 2.477 ( 7.064 0.000 2.918) 7.643 2.633 ( 10.226 0.000 -6.021) 11.867 2.633 ( -10.226 0.000 6.021) 11.867 2.739 ( -0.959 0.000 -1.719) 1.969 2.739 ( 0.959 0.000 1.719) 1.969 3.007 ( 3.463 0.000 -3.296) 4.780 3.007 ( -3.463 0.000 3.296) 4.780 3.042 ( -6.243 0.000 -0.290) 6.250 3.042 ( 6.243 0.000 0.290) 6.250 3.624 ( 6.621 0.000 -2.328) 7.018 3.624 ( -6.621 0.000 2.328) 7.018 3.739 ( -6.436 0.000 -0.143) 6.438 3.739 ( 6.436 0.000 0.143) 6.438 4.155 ( -6.590 0.000 -2.819) 7.168 4.155 ( 6.590 0.000 2.819) 7.168 4.281 ( -1.350 0.000 -3.775) 4.009 4.281 ( 1.350 0.000 3.775) 4.009 4.595 ( -3.009 0.000 0.133) 3.012 4.595 ( 3.009 0.000 -0.133) 3.012 4.749 ( -6.725 0.000 -1.964) 7.006 4.749 ( 6.725 0.000 1.964) 7.006 4.761 ( 0.428 0.000 -1.376) 1.441 4.761 ( -0.428 0.000 1.376) 1.441 4.811 ( 0.911 0.000 -0.510) 1.044 4.811 ( -0.911 0.000 0.510) 1.044 5.118 ( -9.312 0.000 -0.923) 9.357 5.118 ( 9.312 0.000 0.923) 9.357 5.147 ( -3.447 0.000 -3.171) 4.684 5.147 ( 3.447 0.000 3.171) 4.684 5.322 ( -5.184 0.000 -4.852) 7.100 5.322 ( 5.184 0.000 4.852) 7.100 5.466 ( -0.970 0.000 -2.707) 2.875 5.466 ( 0.970 0.000 2.707) 2.875 5.565 ( -1.528 0.000 -4.497) 4.750 5.565 ( 1.528 0.000 4.497) 4.750 5.725 ( -2.914 0.000 -0.446) 2.948 5.725 ( 2.914 0.000 0.446) 2.948 5.956 ( -2.611 0.000 -2.985) 3.966 5.956 ( 2.611 0.000 2.985) 3.966 6.062 ( 3.567 0.000 -11.849) 12.374 6.062 ( -3.567 0.000 11.849) 12.374 6.189 ( 7.596 0.000 -3.933) 8.553 6.189 ( -7.596 0.000 3.933) 8.553 6.348 ( -5.830 0.000 1.938) 6.144 6.348 ( 5.830 0.000 -1.938) 6.144 6.496 ( 0.682 0.000 -2.986) 3.063 6.496 ( -0.682 0.000 2.986) 3.063 6.787 ( 2.966 0.000 -10.550) 10.959 6.787 ( -2.966 0.000 10.550) 10.959 6.975 ( 1.174 0.000 -6.479) 6.585 6.975 ( -1.174 0.000 6.479) 6.585 7.082 ( -0.694 0.000 -3.906) 3.967 7.082 ( 0.694 0.000 3.906) 3.967 7.259 ( 2.455 0.000 -3.775) 4.503 7.259 ( -2.455 0.000 3.775) 4.503 7.334 ( -0.813 0.000 -5.157) 5.220 7.334 ( 0.813 0.000 5.157) 5.220 7.500 ( 4.143 0.000 -5.574) 6.945 7.500 ( -4.143 0.000 5.574) 6.945 7.568 ( -6.066 0.000 -2.083) 6.414 7.568 ( 6.066 0.000 2.083) 6.414 7.867 ( 0.929 0.000 -2.383) 2.558 7.867 ( -0.929 0.000 2.383) 2.558 8.181 ( -4.403 0.000 -3.235) 5.464 8.181 ( 4.403 0.000 3.235) 5.464 8.327 ( -2.204 0.000 -5.677) 6.090 8.327 ( 2.204 0.000 5.677) 6.090 8.412 ( -4.887 0.000 -2.415) 5.451 8.412 ( 4.887 0.000 2.415) 5.451 8.690 ( 5.264 0.000 -4.775) 7.107 8.690 ( -5.264 0.000 4.775) 7.107 8.732 ( -0.175 0.000 -4.066) 4.070 8.732 ( 0.175 0.000 4.066) 4.070 8.819 ( 1.966 0.000 -8.373) 8.601 8.819 ( -1.966 0.000 8.373) 8.601 8.990 ( -3.916 0.000 0.247) 3.924 8.990 ( 3.916 0.000 -0.247) 3.924 9.286 ( 2.097 0.000 -3.267) 3.882 9.286 ( -2.097 0.000 3.267) 3.882 9.344 ( -4.801 0.000 -1.105) 4.927 9.344 ( 4.801 0.000 1.105) 4.927 9.506 ( -2.046 0.000 -6.316) 6.639 9.506 ( 2.046 0.000 6.316) 6.639 9.594 ( 1.950 0.000 -2.824) 3.432 9.594 ( -1.950 0.000 2.824) 3.432 10.115 ( -0.234 0.000 -2.080) 2.093 10.115 ( 0.233 0.000 2.080) 2.093 10.118 ( -2.719 0.000 -2.832) 3.926 10.118 ( 2.719 0.000 2.832) 3.926 11.577 ( 0.038 0.000 -3.182) 3.182 11.577 ( -0.038 0.000 3.182) 3.182 11.605 ( 1.387 0.000 -4.409) 4.621 11.605 ( -1.387 0.000 4.409) 4.621 11.974 ( 1.281 0.000 -1.549) 2.010 11.974 ( -1.281 0.000 1.549) 2.010 12.017 ( -0.432 0.000 -3.260) 3.289 12.017 ( 0.432 0.000 3.260) 3.289 12.567 ( 0.880 0.000 -0.582) 1.055 12.567 ( -0.880 0.000 0.582) 1.055 12.602 ( 1.383 0.000 -2.479) 2.839 12.602 ( -1.383 0.000 2.479) 2.839 12.739 ( -1.080 0.000 -1.104) 1.544 12.739 ( 1.080 0.000 1.104) 1.544 12.803 ( 3.112 0.000 -6.318) 7.043 12.803 ( -3.112 0.000 6.318) 7.043 12.971 ( 3.289 0.000 -1.321) 3.544 12.971 ( -3.289 0.000 1.321) 3.544 13.204 ( -5.681 0.000 1.260) 5.819 13.204 ( 5.681 0.000 -1.260) 5.819 13.659 ( 4.049 0.000 -4.283) 5.894 13.659 ( -4.049 0.000 4.283) 5.894 13.732 ( -1.426 0.000 -3.055) 3.372 13.732 ( 1.426 0.000 3.055) 3.372 14.218 ( 0.466 0.000 -1.520) 1.590 14.218 ( -0.466 0.000 1.520) 1.590 14.335 ( 4.097 0.000 -1.561) 4.385 14.335 ( -4.097 0.000 1.561) 4.385 14.482 ( 0.480 0.000 -1.293) 1.379 14.482 ( -0.480 0.000 1.293) 1.379 14.894 ( 2.458 0.000 -2.142) 3.260 14.894 ( -2.458 0.000 2.142) 3.260 17.498 ( -0.766 0.000 0.124) 0.777 17.498 ( 0.766 0.000 -0.124) 0.777 17.722 ( 0.403 0.000 -2.013) 2.053 17.722 ( -0.403 0.000 2.013) 2.053 17.963 ( -1.103 0.000 -1.295) 1.701 17.963 ( 1.103 0.000 1.295) 1.701 17.980 ( -2.491 0.000 -0.506) 2.541 17.980 ( 2.491 0.000 0.506) 2.541 18.430 ( -0.786 0.000 -1.178) 1.416 18.430 ( 0.786 0.000 1.178) 1.416 18.668 ( -2.751 0.000 0.256) 2.763 18.668 ( 2.751 0.000 -0.256) 2.763 18.749 ( -0.233 0.000 -0.743) 0.779 18.749 ( 0.233 0.000 0.743) 0.779 18.882 ( -1.939 0.000 -0.847) 2.116 18.882 ( 1.939 0.000 0.847) 2.116 19.666 ( 1.597 0.000 -5.646) 5.868 19.666 ( -1.597 0.000 5.646) 5.868 19.833 ( 0.307 0.000 -1.664) 1.692 19.833 ( -0.307 0.000 1.664) 1.692 19.941 ( 0.126 0.000 -0.218) 0.252 19.941 ( -0.126 0.000 0.218) 0.252 20.335 ( 0.243 0.000 -1.155) 1.180 20.335 ( -0.243 0.000 1.155) 1.180 20.548 ( 0.022 0.000 -0.418) 0.418 20.548 ( -0.022 0.000 0.418) 0.418 20.707 ( 0.529 0.000 -1.914) 1.986 20.707 ( -0.529 0.000 1.914) 1.986 20.921 ( 0.927 0.000 -2.696) 2.851 20.921 ( -0.927 0.000 2.696) 2.851 21.109 ( -0.219 0.000 -0.708) 0.741 21.109 ( 0.219 0.000 0.708) 0.741 24.592 ( -0.892 0.000 0.261) 0.929 24.592 ( 0.892 0.000 -0.261) 0.929 24.633 ( -0.984 0.000 -0.490) 1.099 24.633 ( 0.984 0.000 0.490) 1.099 24.983 ( -0.949 0.000 -1.020) 1.393 24.983 ( 0.949 0.000 1.020) 1.393 25.108 ( -1.083 0.000 -0.123) 1.090 25.108 ( 1.083 0.000 0.123) 1.090 28.431 ( -0.141 0.000 -0.308) 0.339 28.431 ( 0.141 0.000 0.308) 0.339 28.491 ( -1.193 0.000 -0.264) 1.222 28.491 ( 1.193 0.000 0.264) 1.222 28.568 ( -0.513 0.000 -0.942) 1.072 28.568 ( 0.513 0.000 0.942) 1.072 28.630 ( -0.069 0.000 0.023) 0.073 28.630 ( 0.069 0.000 -0.023) 0.073 35.451 ( -0.124 0.000 -3.350) 3.353 35.451 ( 0.124 0.000 3.350) 3.353 35.473 ( 0.581 0.000 -2.879) 2.937 35.473 ( -0.581 0.000 2.879) 2.937 36.310 ( 0.808 0.000 -1.207) 1.453 36.310 ( -0.808 0.000 1.207) 1.453 36.830 ( 2.610 0.000 -13.022) 13.280 36.830 ( -2.610 0.000 13.022) 13.280 37.697 ( 1.916 0.000 -2.211) 2.925 37.697 ( -1.916 0.000 2.211) 2.925 37.823 ( 0.203 0.000 -3.293) 3.300 37.823 ( -0.203 0.000 3.293) 3.300 37.975 ( 2.340 0.000 -1.040) 2.561 37.975 ( -2.340 0.000 1.040) 2.561 38.370 ( -2.077 0.000 -1.317) 2.459 38.370 ( 2.077 0.000 1.317) 2.459 38.755 ( -0.679 0.000 -3.342) 3.410 38.755 ( 0.679 0.000 3.342) 3.410 39.052 ( -3.095 0.000 0.324) 3.112 39.052 ( 3.095 0.000 -0.324) 3.112 39.373 ( -0.614 0.000 -2.460) 2.536 39.373 ( 0.614 0.000 2.460) 2.536 39.418 ( 4.507 0.000 -1.544) 4.764 39.418 ( -4.507 0.000 1.544) 4.764 39.823 ( 1.784 0.000 -2.835) 3.350 39.823 ( -1.784 0.000 2.835) 3.350 40.139 ( -6.526 0.000 -6.234) 9.025 40.139 ( 6.526 0.000 6.234) 9.025 40.614 ( -0.535 0.000 -3.882) 3.918 40.614 ( 0.535 0.000 3.882) 3.918 41.154 ( 5.687 0.000 -9.199) 10.815 41.154 ( -5.687 0.000 9.199) 10.815 ======================= Grid point 107 (59/66) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.936 0.000 -2.023) 2.229 1.508 ( -2.350 0.000 2.333) 3.311 1.650 ( 0.758 0.000 2.175) 2.304 1.660 ( 0.797 0.000 1.455) 1.659 1.728 ( 2.193 0.000 -3.541) 4.166 1.729 ( 2.351 0.000 2.391) 3.353 1.863 ( 2.660 0.000 -1.230) 2.931 1.910 ( -1.679 0.000 5.741) 5.981 1.915 ( -3.631 0.000 -1.876) 4.087 1.941 ( 4.662 0.000 -1.696) 4.961 2.168 ( -7.029 0.000 -7.357) 10.175 2.230 ( -1.232 0.000 1.134) 1.675 2.254 ( 1.245 0.000 3.775) 3.975 2.298 ( -3.501 0.000 -1.199) 3.701 2.433 ( -5.105 0.000 6.511) 8.274 2.468 ( 4.129 0.000 -3.879) 5.665 2.645 ( 1.821 0.000 2.077) 2.762 2.667 ( -1.917 0.000 0.040) 1.918 2.724 ( 0.433 0.000 -0.228) 0.489 2.789 ( 2.948 0.000 -3.121) 4.293 2.948 ( -1.068 0.000 2.150) 2.401 2.989 ( 1.013 0.000 1.564) 1.863 3.095 ( 5.166 0.000 0.614) 5.203 3.190 ( 5.130 0.000 1.375) 5.311 3.494 ( -2.326 0.000 -1.599) 2.823 3.677 ( 0.128 0.000 -5.027) 5.029 3.713 ( 0.553 0.000 5.477) 5.505 3.880 ( 2.498 0.000 1.275) 2.805 4.001 ( -4.275 0.000 -5.322) 6.826 4.200 ( -4.221 0.000 -2.278) 4.796 4.289 ( 4.642 0.000 -2.710) 5.375 4.314 ( 0.571 0.000 1.857) 1.943 4.604 ( 2.186 0.000 0.586) 2.263 4.659 ( 1.061 0.000 -3.510) 3.667 4.685 ( 0.150 0.000 3.957) 3.960 4.725 ( -2.322 0.000 1.880) 2.988 4.757 ( -1.727 0.000 2.506) 3.043 4.805 ( 3.788 0.000 -6.946) 7.912 4.806 ( 4.737 0.000 -2.277) 5.256 4.901 ( -1.005 0.000 5.745) 5.832 5.050 ( 4.991 0.000 -1.165) 5.125 5.106 ( 2.725 0.000 0.807) 2.842 5.213 ( 4.331 0.000 -4.223) 6.049 5.232 ( 0.286 0.000 1.650) 1.675 5.282 ( -0.409 0.000 -2.426) 2.460 5.418 ( -0.501 0.000 -3.604) 3.639 5.434 ( -1.388 0.000 5.066) 5.253 5.509 ( 3.235 0.000 4.501) 5.543 5.604 ( 3.766 0.000 -4.081) 5.553 5.621 ( 6.648 0.000 0.684) 6.683 5.795 ( 7.743 0.000 9.576) 12.315 5.876 ( 6.192 0.000 7.077) 9.403 5.944 ( 2.649 0.000 -2.633) 3.735 5.982 ( -4.280 0.000 2.732) 5.078 6.028 ( -5.197 0.000 12.082) 13.152 6.045 ( 3.649 0.000 -11.208) 11.787 6.191 ( 5.625 0.000 6.848) 8.862 6.240 ( -1.651 0.000 -2.834) 3.280 6.282 ( 0.406 0.000 -2.986) 3.013 6.506 ( 8.762 0.000 -0.700) 8.790 6.518 ( 2.526 0.000 -3.741) 4.514 6.535 ( 4.890 0.000 -4.534) 6.668 6.714 ( -7.062 0.000 10.538) 12.686 6.733 ( -2.904 0.000 -7.015) 7.592 6.905 ( -4.848 0.000 -6.468) 8.083 6.959 ( -1.427 0.000 3.288) 3.585 7.038 ( -0.719 0.000 -2.001) 2.127 7.048 ( -4.559 0.000 -0.848) 4.637 7.128 ( -19.880 0.000 -0.085) 19.880 7.219 ( -4.754 0.000 -6.218) 7.827 7.276 ( -0.411 0.000 4.710) 4.728 7.296 ( -1.557 0.000 1.660) 2.276 7.491 ( -0.489 0.000 8.947) 8.960 7.515 ( 4.551 0.000 -12.834) 13.617 7.611 ( 7.836 0.000 -3.009) 8.393 7.678 ( 3.962 0.000 3.842) 5.519 7.882 ( 0.678 0.000 2.103) 2.210 7.939 ( 6.757 0.000 -0.141) 6.758 8.152 ( 2.000 0.000 -1.916) 2.770 8.209 ( -10.757 0.000 -4.525) 11.670 8.247 ( -1.460 0.000 1.222) 1.904 8.257 ( -1.785 0.000 -3.044) 3.529 8.403 ( -4.052 0.000 0.459) 4.078 8.420 ( 5.835 0.000 3.460) 6.783 8.580 ( -7.697 0.000 -10.887) 13.333 8.592 ( -7.749 0.000 12.256) 14.500 8.734 ( -0.612 0.000 4.302) 4.346 8.794 ( -1.850 0.000 0.628) 1.954 8.875 ( 6.598 0.000 -3.512) 7.475 8.913 ( 5.353 0.000 1.810) 5.651 9.003 ( 5.130 0.000 0.978) 5.222 9.068 ( 2.715 0.000 1.504) 3.103 9.214 ( -3.946 0.000 2.181) 4.509 9.228 ( -2.334 0.000 -4.907) 5.434 9.310 ( -0.094 0.000 -0.993) 0.997 9.389 ( -2.787 0.000 -3.258) 4.288 9.489 ( 5.433 0.000 -1.598) 5.663 9.535 ( -1.261 0.000 4.634) 4.802 9.625 ( 3.236 0.000 2.481) 4.077 9.665 ( 5.379 0.000 -2.922) 6.121 9.930 ( -11.886 0.000 -0.078) 11.886 9.992 ( -9.189 0.000 -0.468) 9.201 10.097 ( -3.369 0.000 -0.682) 3.437 10.110 ( -5.031 0.000 0.322) 5.042 11.568 ( 0.838 0.000 -4.185) 4.268 11.583 ( -1.007 0.000 3.784) 3.915 11.604 ( -0.502 0.000 4.326) 4.355 11.614 ( 1.009 0.000 -3.512) 3.654 11.960 ( -0.575 0.000 1.270) 1.394 11.981 ( -0.436 0.000 -1.501) 1.563 12.006 ( 1.254 0.000 -3.083) 3.328 12.031 ( -0.494 0.000 3.037) 3.077 12.541 ( -1.875 0.000 2.517) 3.139 12.546 ( -2.735 0.000 4.268) 5.069 12.613 ( 0.504 0.000 -2.176) 2.233 12.615 ( 1.200 0.000 0.542) 1.317 12.665 ( -3.815 0.000 3.167) 4.958 12.733 ( -1.851 0.000 1.692) 2.507 12.799 ( 0.919 0.000 -0.603) 1.099 12.810 ( 0.870 0.000 -6.868) 6.923 12.969 ( 1.676 0.000 2.272) 2.823 13.044 ( 2.073 0.000 -0.558) 2.146 13.097 ( -3.907 0.000 1.445) 4.165 13.224 ( -4.426 0.000 1.035) 4.546 13.635 ( 1.088 0.000 1.280) 1.680 13.709 ( 1.970 0.000 -5.612) 5.948 13.735 ( 3.716 0.000 -5.547) 6.676 13.778 ( 1.650 0.000 1.796) 2.438 14.259 ( 4.096 0.000 -1.347) 4.312 14.261 ( 4.020 0.000 -2.569) 4.771 14.316 ( 2.621 0.000 -1.270) 2.912 14.401 ( 1.207 0.000 -2.011) 2.345 14.465 ( -2.006 0.000 2.375) 3.109 14.480 ( -0.306 0.000 1.220) 1.258 14.868 ( -0.618 0.000 3.080) 3.141 14.922 ( 0.440 0.000 -0.342) 0.557 17.488 ( 0.001 0.000 -0.568) 0.568 17.508 ( 0.134 0.000 -0.685) 0.698 17.723 ( 0.865 0.000 -1.547) 1.772 17.729 ( 0.782 0.000 1.243) 1.468 17.888 ( -4.572 0.000 -0.173) 4.576 17.903 ( -4.308 0.000 0.538) 4.342 17.920 ( -5.042 0.000 2.613) 5.679 17.967 ( -4.507 0.000 3.118) 5.481 18.438 ( 1.637 0.000 -1.447) 2.185 18.459 ( 1.243 0.000 -1.299) 1.798 18.608 ( -1.011 0.000 0.870) 1.334 18.647 ( -1.526 0.000 -0.503) 1.607 18.822 ( 4.004 0.000 1.366) 4.230 18.844 ( 5.596 0.000 -1.170) 5.716 18.907 ( 4.362 0.000 -1.407) 4.583 18.950 ( 2.792 0.000 2.450) 3.714 19.661 ( -1.177 0.000 5.588) 5.711 19.671 ( 1.219 0.000 -5.513) 5.646 19.834 ( 0.492 0.000 -1.780) 1.847 19.835 ( -0.264 0.000 1.736) 1.756 19.938 ( -0.232 0.000 0.211) 0.313 19.940 ( -0.128 0.000 -0.313) 0.338 20.342 ( 0.673 0.000 -0.779) 1.030 20.342 ( 0.228 0.000 1.275) 1.295 20.547 ( 0.099 0.000 -0.444) 0.455 20.549 ( -0.079 0.000 0.375) 0.383 20.706 ( -0.289 0.000 1.639) 1.664 20.709 ( 0.460 0.000 -1.873) 1.929 20.916 ( -0.569 0.000 2.436) 2.502 20.925 ( 0.453 0.000 -2.419) 2.461 21.106 ( 0.318 0.000 -0.736) 0.801 21.116 ( -0.061 0.000 0.989) 0.991 24.571 ( -0.734 0.000 -0.010) 0.734 24.588 ( -0.970 0.000 -0.882) 1.311 24.591 ( -2.305 0.000 -0.203) 2.314 24.617 ( -2.335 0.000 0.493) 2.386 24.994 ( 1.949 0.000 -0.373) 1.984 25.020 ( 1.388 0.000 1.248) 1.866 25.101 ( 0.670 0.000 -0.559) 0.873 25.127 ( 0.543 0.000 -0.357) 0.649 28.438 ( 0.706 0.000 0.027) 0.707 28.446 ( 1.059 0.000 0.301) 1.100 28.477 ( 0.040 0.000 -0.319) 0.322 28.526 ( 2.148 0.000 -0.113) 2.151 28.545 ( -1.526 0.000 -0.524) 1.614 28.578 ( 0.241 0.000 0.968) 0.998 28.615 ( -1.497 0.000 -0.037) 1.497 28.616 ( -1.114 0.000 -0.213) 1.134 35.447 ( 1.416 0.000 -4.419) 4.640 35.472 ( 0.019 0.000 3.648) 3.648 35.477 ( -0.687 0.000 4.769) 4.818 35.480 ( 1.134 0.000 -2.285) 2.551 36.303 ( -0.252 0.000 1.138) 1.166 36.317 ( 0.350 0.000 -1.559) 1.597 36.828 ( 2.700 0.000 -12.634) 12.919 36.833 ( -2.305 0.000 10.906) 11.146 37.687 ( -0.042 0.000 3.816) 3.817 37.723 ( 1.403 0.000 -2.781) 3.115 37.826 ( 1.228 0.000 -3.593) 3.796 37.850 ( 1.044 0.000 3.731) 3.874 37.926 ( -2.364 0.000 0.668) 2.456 37.993 ( -0.454 0.000 -1.610) 1.672 38.345 ( 0.538 0.000 0.190) 0.570 38.406 ( 0.569 0.000 0.888) 1.054 38.740 ( 0.682 0.000 -3.445) 3.512 38.776 ( -0.731 0.000 3.045) 3.132 39.029 ( 1.408 0.000 1.095) 1.784 39.120 ( 3.806 0.000 -1.896) 4.252 39.298 ( -4.998 0.000 -3.086) 5.874 39.328 ( -4.692 0.000 0.764) 4.754 39.369 ( -0.596 0.000 2.125) 2.207 39.462 ( -0.109 0.000 -2.798) 2.800 39.854 ( 1.974 0.000 4.764) 5.157 39.906 ( 4.902 0.000 -1.401) 5.098 39.996 ( -1.958 0.000 -2.930) 3.524 40.208 ( -2.035 0.000 2.125) 2.942 40.617 ( 2.251 0.000 -4.131) 4.704 40.671 ( 1.201 0.000 8.062) 8.151 41.072 ( -4.154 0.000 7.006) 8.145 41.177 ( 0.577 0.000 -10.668) 10.684 ======================= Grid point 108 (60/66) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 2.307 0.000 -3.561) 4.243 1.461 ( -2.307 0.000 3.561) 4.243 1.662 ( 0.487 0.000 -2.112) 2.167 1.662 ( -0.487 0.000 2.112) 2.167 1.799 ( 0.498 0.000 -2.439) 2.489 1.799 ( -0.498 0.000 2.439) 2.489 1.842 ( 0.608 0.000 -2.031) 2.120 1.842 ( -0.608 0.000 2.031) 2.120 1.963 ( -5.804 0.000 -1.462) 5.985 1.963 ( 5.804 0.000 1.462) 5.985 2.149 ( 9.193 0.000 -4.120) 10.074 2.149 ( -9.193 0.000 4.120) 10.074 2.222 ( 1.959 0.000 -2.761) 3.385 2.222 ( -1.959 0.000 2.761) 3.385 2.463 ( -2.067 0.000 -2.489) 3.235 2.463 ( 2.067 0.000 2.489) 3.235 2.679 ( -0.166 0.000 -0.281) 0.326 2.679 ( 0.166 0.000 0.281) 0.326 2.751 ( -2.045 0.000 -1.975) 2.843 2.751 ( 2.045 0.000 1.975) 2.843 2.984 ( -2.010 0.000 -0.200) 2.020 2.984 ( 2.010 0.000 0.200) 2.020 3.207 ( -3.650 0.000 -0.695) 3.716 3.207 ( 3.650 0.000 0.695) 3.716 3.565 ( -7.416 0.000 -2.254) 7.751 3.565 ( 7.416 0.000 2.254) 7.751 3.787 ( -4.553 0.000 -6.871) 8.242 3.787 ( 4.553 0.000 6.871) 8.242 4.072 ( -6.859 0.000 -2.023) 7.151 4.072 ( 6.859 0.000 2.023) 7.151 4.327 ( 0.741 0.000 -3.544) 3.621 4.327 ( -0.741 0.000 3.544) 3.621 4.633 ( -0.895 0.000 -3.928) 4.028 4.633 ( 0.895 0.000 3.928) 4.028 4.702 ( 1.073 0.000 -3.280) 3.451 4.702 ( -1.073 0.000 3.280) 3.451 4.781 ( 4.906 0.000 -1.815) 5.230 4.781 ( -4.906 0.000 1.815) 5.230 4.907 ( 0.989 0.000 -0.425) 1.077 4.907 ( -0.989 0.000 0.425) 1.077 5.171 ( -7.571 0.000 2.351) 7.928 5.171 ( 7.571 0.000 -2.351) 7.928 5.207 ( -0.875 0.000 -6.498) 6.557 5.207 ( 0.875 0.000 6.498) 6.557 5.360 ( -3.872 0.000 0.768) 3.947 5.360 ( 3.872 0.000 -0.768) 3.947 5.461 ( -9.262 0.000 2.874) 9.697 5.461 ( 9.262 0.000 -2.874) 9.697 5.671 ( 2.603 0.000 -3.920) 4.705 5.671 ( -2.603 0.000 3.920) 4.705 5.929 ( 4.294 0.000 -3.148) 5.325 5.929 ( -4.294 0.000 3.148) 5.325 5.971 ( -2.319 0.000 0.661) 2.411 5.971 ( 2.319 0.000 -0.661) 2.411 6.065 ( -2.499 0.000 -11.788) 12.050 6.065 ( 2.499 0.000 11.788) 12.050 6.207 ( 2.177 0.000 -3.236) 3.900 6.207 ( -2.177 0.000 3.236) 3.900 6.469 ( -11.401 0.000 -8.957) 14.498 6.469 ( 11.401 0.000 8.957) 14.498 6.548 ( 5.033 0.000 -12.538) 13.510 6.548 ( -5.033 0.000 12.538) 13.510 6.750 ( 3.025 0.000 -6.147) 6.850 6.750 ( -3.025 0.000 6.147) 6.850 6.781 ( 0.455 0.000 -5.816) 5.833 6.781 ( -0.455 0.000 5.816) 5.833 6.960 ( -2.201 0.000 -0.828) 2.352 6.960 ( 2.201 0.000 0.828) 2.352 7.093 ( -4.995 0.000 -4.300) 6.591 7.093 ( 4.995 0.000 4.300) 6.591 7.270 ( -0.113 0.000 -0.219) 0.247 7.270 ( 0.113 0.000 0.219) 0.247 7.530 ( 2.071 0.000 -14.468) 14.615 7.530 ( -2.071 0.000 14.468) 14.615 7.724 ( 2.586 0.000 -4.236) 4.963 7.724 ( -2.586 0.000 4.236) 4.963 7.958 ( -6.388 0.000 0.953) 6.458 7.958 ( 6.388 0.000 -0.953) 6.458 8.147 ( 1.708 0.000 -0.735) 1.860 8.147 ( -1.708 0.000 0.735) 1.860 8.225 ( 5.909 0.000 -5.739) 8.237 8.225 ( -5.909 0.000 5.739) 8.237 8.368 ( -5.968 0.000 -1.317) 6.111 8.368 ( 5.968 0.000 1.317) 6.111 8.527 ( 2.873 0.000 -4.789) 5.585 8.527 ( -2.873 0.000 4.789) 5.585 8.747 ( -1.094 0.000 -1.473) 1.835 8.747 ( 1.094 0.000 1.473) 1.835 8.962 ( 1.903 0.000 -1.620) 2.499 8.962 ( -1.903 0.000 1.620) 2.499 9.083 ( 1.941 0.000 -2.285) 2.999 9.083 ( -1.941 0.000 2.285) 2.999 9.190 ( 0.132 0.000 -3.004) 3.007 9.190 ( -0.132 0.000 3.004) 3.007 9.342 ( -1.808 0.000 -1.799) 2.551 9.342 ( 1.808 0.000 1.799) 2.551 9.535 ( -1.322 0.000 0.296) 1.355 9.535 ( 1.322 0.000 -0.296) 1.355 9.703 ( -2.166 0.000 -1.059) 2.411 9.703 ( 2.166 0.000 1.059) 2.411 9.823 ( -4.592 0.000 -0.601) 4.631 9.823 ( 4.592 0.000 0.601) 4.631 10.035 ( -0.374 0.000 -0.529) 0.648 10.035 ( 0.374 0.000 0.529) 0.648 11.574 ( 1.531 0.000 -4.739) 4.981 11.574 ( -1.531 0.000 4.739) 4.981 11.613 ( 0.443 0.000 -3.494) 3.522 11.613 ( -0.443 0.000 3.494) 3.522 11.964 ( -0.385 0.000 -1.251) 1.309 11.964 ( 0.385 0.000 1.251) 1.309 12.023 ( 1.445 0.000 -2.831) 3.179 12.023 ( -1.445 0.000 2.831) 3.179 12.526 ( 0.216 0.000 -0.863) 0.889 12.526 ( -0.216 0.000 0.863) 0.889 12.612 ( 0.401 0.000 -0.920) 1.004 12.612 ( -0.401 0.000 0.920) 1.004 12.684 ( -2.520 0.000 -1.968) 3.198 12.684 ( 2.520 0.000 1.968) 3.198 12.805 ( 0.696 0.000 -2.922) 3.004 12.805 ( -0.696 0.000 2.922) 3.004 13.032 ( 3.180 0.000 -2.346) 3.952 13.032 ( -3.180 0.000 2.346) 3.952 13.105 ( -4.426 0.000 -2.599) 5.133 13.105 ( 4.426 0.000 2.599) 5.133 13.686 ( -2.059 0.000 -2.654) 3.359 13.686 ( 2.059 0.000 2.654) 3.359 13.786 ( 2.223 0.000 -3.210) 3.905 13.786 ( -2.223 0.000 3.210) 3.905 14.323 ( 0.638 0.000 -3.067) 3.133 14.323 ( -0.638 0.000 3.067) 3.133 14.363 ( 2.755 0.000 -2.921) 4.015 14.363 ( -2.755 0.000 2.921) 4.015 14.459 ( 2.155 0.000 -1.268) 2.501 14.459 ( -2.155 0.000 1.268) 2.501 14.900 ( -2.151 0.000 -0.771) 2.285 14.900 ( 2.151 0.000 0.771) 2.285 17.496 ( -0.875 0.000 0.142) 0.886 17.496 ( 0.875 0.000 -0.142) 0.886 17.749 ( 0.890 0.000 -0.829) 1.216 17.749 ( -0.890 0.000 0.829) 1.216 17.833 ( 0.866 0.000 -2.060) 2.234 17.833 ( -0.866 0.000 2.060) 2.234 17.889 ( 2.527 0.000 -2.187) 3.342 17.889 ( -2.527 0.000 2.187) 3.342 18.460 ( -0.589 0.000 -0.433) 0.731 18.460 ( 0.589 0.000 0.433) 0.731 18.621 ( -1.059 0.000 -0.939) 1.416 18.621 ( 1.059 0.000 0.939) 1.416 18.886 ( -0.999 0.000 -1.291) 1.632 18.886 ( 0.999 0.000 1.291) 1.632 18.973 ( 1.951 0.000 -2.554) 3.214 18.973 ( -1.951 0.000 2.554) 3.214 19.667 ( 0.751 0.000 -5.469) 5.520 19.667 ( -0.751 0.000 5.469) 5.520 19.836 ( 0.437 0.000 -1.845) 1.896 19.836 ( -0.437 0.000 1.845) 1.896 19.937 ( -0.008 0.000 -0.298) 0.298 19.937 ( 0.008 0.000 0.298) 0.298 20.348 ( 0.192 0.000 -0.914) 0.934 20.348 ( -0.192 0.000 0.914) 0.934 20.548 ( 0.149 0.000 -0.400) 0.427 20.548 ( -0.149 0.000 0.400) 0.427 20.709 ( 0.221 0.000 -1.594) 1.610 20.709 ( -0.221 0.000 1.594) 1.610 20.920 ( 0.121 0.000 -2.141) 2.145 20.920 ( -0.121 0.000 2.141) 2.145 21.113 ( 0.579 0.000 -1.024) 1.176 21.113 ( -0.579 0.000 1.024) 1.176 24.567 ( -0.103 0.000 -0.581) 0.590 24.567 ( 0.103 0.000 0.581) 0.590 24.576 ( -1.439 0.000 0.235) 1.458 24.576 ( 1.439 0.000 -0.235) 1.458 25.028 ( 1.085 0.000 -0.654) 1.267 25.028 ( -1.085 0.000 0.654) 1.267 25.120 ( -1.044 0.000 0.083) 1.047 25.120 ( 1.044 0.000 -0.083) 1.047 28.452 ( -0.499 0.000 -0.285) 0.575 28.452 ( 0.499 0.000 0.285) 0.575 28.502 ( -2.113 0.000 -0.452) 2.161 28.502 ( 2.113 0.000 0.452) 2.161 28.574 ( -2.326 0.000 -0.050) 2.326 28.574 ( 2.326 0.000 0.050) 2.326 28.593 ( -0.811 0.000 -0.658) 1.044 28.593 ( 0.811 0.000 0.658) 1.044 35.464 ( 2.180 0.000 -5.658) 6.063 35.464 ( -2.180 0.000 5.658) 6.063 35.488 ( 0.596 0.000 -3.204) 3.259 35.488 ( -0.596 0.000 3.204) 3.259 36.310 ( -0.256 0.000 -1.500) 1.522 36.310 ( 0.256 0.000 1.500) 1.522 36.831 ( 2.450 0.000 -10.565) 10.846 36.831 ( -2.450 0.000 10.565) 10.846 37.717 ( -0.475 0.000 -4.742) 4.765 37.717 ( 0.475 0.000 4.742) 4.765 37.845 ( 2.249 0.000 -2.752) 3.554 37.845 ( -2.249 0.000 2.752) 3.554 37.945 ( -2.855 0.000 -2.143) 3.569 37.945 ( 2.855 0.000 2.143) 3.569 38.387 ( -2.385 0.000 -0.714) 2.489 38.387 ( 2.385 0.000 0.714) 2.489 38.753 ( 2.022 0.000 -3.077) 3.681 38.753 ( -2.022 0.000 3.077) 3.681 39.114 ( -4.350 0.000 -4.315) 6.127 39.114 ( 4.350 0.000 4.315) 6.127 39.249 ( -2.735 0.000 0.272) 2.749 39.249 ( 2.735 0.000 -0.272) 2.749 39.404 ( -2.946 0.000 -2.694) 3.993 39.404 ( 2.946 0.000 2.694) 3.993 39.902 ( -0.703 0.000 -4.220) 4.279 39.902 ( 0.703 0.000 4.220) 4.279 40.106 ( -7.439 0.000 -1.024) 7.509 40.106 ( 7.439 0.000 1.024) 7.509 40.663 ( 4.299 0.000 -6.791) 8.037 40.663 ( -4.299 0.000 6.791) 8.037 41.103 ( -2.629 0.000 -9.264) 9.630 41.103 ( 2.629 0.000 9.264) 9.630 ======================= Grid point 111 (61/66) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 2.195 -0.417 -3.156) 3.867 1.488 ( -2.195 -0.417 3.156) 3.867 1.599 ( 2.002 -3.156 -2.999) 4.792 1.599 ( -2.002 -3.156 2.999) 4.792 1.774 ( 1.609 3.104 -2.450) 4.269 1.774 ( -1.609 3.104 2.450) 4.269 1.867 ( -1.349 2.521 -1.762) 3.358 1.867 ( 1.349 2.521 1.762) 3.358 2.002 ( 2.680 1.375 -4.209) 5.175 2.002 ( -2.680 1.375 4.209) 5.175 2.109 ( -1.485 -3.446 -1.564) 4.065 2.109 ( 1.485 -3.446 1.564) 4.065 2.336 ( 5.213 0.458 -3.104) 6.085 2.336 ( -5.213 0.458 3.104) 6.085 2.460 ( -3.721 -2.482 -0.581) 4.511 2.460 ( 3.721 -2.482 0.581) 4.511 2.580 ( 2.643 -0.693 -4.279) 5.077 2.580 ( -2.643 -0.693 4.280) 5.077 2.794 ( 0.155 0.764 -1.039) 1.299 2.794 ( -0.155 0.764 1.039) 1.299 2.941 ( 0.568 -2.705 -2.533) 3.749 2.941 ( -0.568 -2.705 2.533) 3.749 3.060 ( -1.596 0.211 -2.227) 2.748 3.060 ( 1.596 0.211 2.227) 2.748 3.728 ( 1.010 6.553 -5.625) 8.695 3.728 ( -1.010 6.553 5.625) 8.695 3.783 ( -5.870 3.679 -4.859) 8.462 3.783 ( 5.870 3.679 4.859) 8.462 4.170 ( -5.196 1.718 -3.072) 6.276 4.170 ( 5.196 1.718 3.072) 6.276 4.350 ( -2.003 4.815 0.235) 5.220 4.350 ( 2.003 4.815 -0.235) 5.220 4.591 ( -2.775 -4.030 0.333) 4.904 4.591 ( 2.775 -4.030 -0.333) 4.904 4.649 ( -2.000 -2.354 -1.524) 3.444 4.649 ( 2.000 -2.354 1.524) 3.444 4.776 ( -1.849 -3.082 -2.312) 4.273 4.776 ( 1.849 -3.082 2.312) 4.273 4.850 ( 0.731 1.822 -1.814) 2.673 4.850 ( -0.731 1.822 1.814) 2.673 4.967 ( -1.966 -4.258 -4.962) 6.827 4.967 ( 1.966 -4.258 4.962) 6.827 5.231 ( -2.173 4.270 -2.500) 5.404 5.231 ( 2.173 4.270 2.500) 5.404 5.364 ( -7.103 3.146 -3.243) 8.418 5.364 ( 7.103 3.146 3.243) 8.418 5.447 ( 0.359 1.267 -2.319) 2.667 5.447 ( -0.359 1.267 2.319) 2.667 5.643 ( 0.518 1.617 -4.060) 4.401 5.643 ( -0.518 1.617 4.060) 4.401 5.795 ( -3.763 1.308 -4.277) 5.844 5.795 ( 3.763 1.308 4.277) 5.845 5.935 ( 0.237 1.419 -4.277) 4.512 5.935 ( -0.237 1.419 4.277) 4.512 6.043 ( 0.217 -2.094 -9.165) 9.403 6.043 ( -0.217 -2.094 9.165) 9.403 6.166 ( 1.080 1.248 -2.294) 2.826 6.166 ( -1.080 1.248 2.294) 2.826 6.426 ( -5.260 2.698 0.008) 5.911 6.426 ( 5.260 2.698 -0.008) 5.911 6.550 ( -3.692 4.641 -1.256) 6.062 6.550 ( 3.692 4.641 1.257) 6.062 6.773 ( 1.807 -1.613 -8.607) 8.942 6.773 ( -1.807 -1.613 8.607) 8.942 6.890 ( -1.025 -2.756 -3.013) 4.210 6.890 ( 1.025 -2.756 3.013) 4.210 7.122 ( 2.021 0.182 -5.136) 5.523 7.122 ( -2.021 0.182 5.136) 5.523 7.213 ( 2.926 0.432 -6.737) 7.357 7.213 ( -2.926 0.432 6.737) 7.357 7.382 ( -2.622 -0.188 -3.998) 4.785 7.382 ( 2.622 -0.188 3.998) 4.785 7.540 ( -9.530 4.563 -2.463) 10.850 7.540 ( 9.530 4.563 2.463) 10.850 7.698 ( -3.456 7.913 -0.912) 8.682 7.698 ( 3.456 7.912 0.912) 8.682 7.871 ( 1.875 0.468 -5.177) 5.526 7.871 ( -1.875 0.468 5.177) 5.526 8.123 ( -5.468 -3.355 -3.217) 7.176 8.123 ( 5.468 -3.355 3.217) 7.176 8.277 ( 1.039 -4.229 -4.528) 6.283 8.277 ( -1.039 -4.229 4.528) 6.283 8.458 ( -6.300 3.398 0.418) 7.170 8.458 ( 6.300 3.398 -0.418) 7.170 8.648 ( -4.314 -2.021 -3.573) 5.955 8.648 ( 4.314 -2.021 3.573) 5.955 8.730 ( -2.594 -3.040 -1.908) 4.429 8.730 ( 2.594 -3.040 1.908) 4.429 8.824 ( -1.581 1.317 -2.831) 3.500 8.824 ( 1.581 1.317 2.831) 3.500 9.002 ( 1.832 1.886 -1.515) 3.034 9.002 ( -1.832 1.886 1.515) 3.034 9.219 ( 0.088 -4.822 -2.945) 5.651 9.219 ( -0.088 -4.822 2.945) 5.651 9.343 ( -5.661 -0.887 -1.818) 6.012 9.343 ( 5.661 -0.887 1.818) 6.012 9.454 ( -4.287 -3.721 -4.991) 7.559 9.454 ( 4.287 -3.721 4.991) 7.559 9.556 ( 0.495 -2.504 -2.334) 3.459 9.556 ( -0.495 -2.504 2.334) 3.459 10.090 ( -2.304 -1.507 -1.306) 3.047 10.090 ( 2.304 -1.507 1.306) 3.047 10.124 ( -0.579 0.220 -1.951) 2.047 10.124 ( 0.579 0.220 1.951) 2.047 11.553 ( 0.142 -1.437 -2.011) 2.476 11.553 ( -0.142 -1.437 2.011) 2.476 11.585 ( 0.943 -1.458 -2.879) 3.362 11.585 ( -0.943 -1.458 2.879) 3.362 11.986 ( 0.207 0.702 -0.607) 0.951 11.986 ( -0.207 0.702 0.607) 0.951 12.036 ( -0.317 1.345 -1.317) 1.909 12.036 ( 0.317 1.345 1.317) 1.909 12.566 ( 2.803 -1.095 -3.688) 4.760 12.566 ( -2.803 -1.095 3.688) 4.760 12.578 ( 2.100 -0.313 -2.058) 2.957 12.578 ( -2.100 -0.313 2.058) 2.957 12.744 ( -2.017 0.198 -1.275) 2.395 12.744 ( 2.017 0.198 1.275) 2.395 12.782 ( 0.788 -1.642 -5.021) 5.341 12.782 ( -0.788 -1.642 5.021) 5.341 12.987 ( -2.826 1.018 -0.489) 3.043 12.987 ( 2.826 1.018 0.489) 3.043 13.207 ( -3.716 0.300 0.854) 3.825 13.207 ( 3.716 0.300 -0.854) 3.825 13.673 ( 2.672 1.098 -3.816) 4.786 13.673 ( -2.672 1.098 3.816) 4.786 13.725 ( -1.137 -0.648 -3.000) 3.273 13.725 ( 1.137 -0.648 3.000) 3.273 14.230 ( -0.101 0.969 -1.228) 1.568 14.230 ( 0.101 0.969 1.228) 1.568 14.324 ( 0.595 -0.883 -0.701) 1.274 14.324 ( -0.595 -0.883 0.701) 1.274 14.474 ( 0.576 -0.583 -1.425) 1.644 14.474 ( -0.576 -0.583 1.425) 1.644 14.899 ( 1.464 0.338 -1.606) 2.199 14.899 ( -1.464 0.338 1.606) 2.199 17.492 ( -0.253 -0.460 -0.123) 0.539 17.492 ( 0.253 -0.460 0.123) 0.539 17.725 ( 0.227 0.259 -1.320) 1.364 17.725 ( -0.227 0.259 1.320) 1.365 17.948 ( -1.019 -0.713 -0.772) 1.463 17.948 ( 1.019 -0.713 0.772) 1.463 17.997 ( -1.603 0.825 -0.491) 1.869 17.997 ( 1.603 0.825 0.491) 1.869 18.431 ( -0.583 0.050 -0.852) 1.034 18.431 ( 0.583 0.050 0.852) 1.034 18.671 ( -2.156 0.255 0.240) 2.185 18.671 ( 2.156 0.255 -0.240) 2.185 18.751 ( -0.537 0.133 -0.466) 0.723 18.751 ( 0.537 0.133 0.466) 0.723 18.888 ( -1.344 0.389 -0.586) 1.517 18.888 ( 1.344 0.389 0.586) 1.517 19.667 ( 1.161 0.104 -4.066) 4.229 19.667 ( -1.161 0.104 4.066) 4.229 19.833 ( 0.219 -0.041 -1.175) 1.196 19.833 ( -0.219 -0.041 1.175) 1.196 19.943 ( 0.077 0.121 -0.144) 0.203 19.943 ( -0.077 0.121 0.144) 0.203 20.315 ( 0.227 -1.317 -0.841) 1.579 20.315 ( -0.227 -1.317 0.841) 1.579 20.568 ( 0.062 1.325 -0.323) 1.365 20.568 ( -0.062 1.325 0.323) 1.365 20.707 ( 0.416 -0.011 -1.524) 1.580 20.707 ( -0.416 -0.011 1.524) 1.580 20.913 ( 0.679 -0.623 -1.932) 2.141 20.913 ( -0.679 -0.623 1.932) 2.141 21.115 ( -0.155 0.369 -0.441) 0.595 21.115 ( 0.155 0.369 0.441) 0.595 24.591 ( -0.019 -0.047 -0.117) 0.128 24.591 ( 0.019 -0.047 0.117) 0.128 24.634 ( -0.643 0.016 -0.363) 0.739 24.634 ( 0.643 0.016 0.363) 0.739 24.983 ( -0.661 -0.052 -0.712) 0.973 24.983 ( 0.661 -0.052 0.712) 0.973 25.109 ( -0.756 0.071 -0.076) 0.763 25.109 ( 0.756 0.071 0.076) 0.763 28.439 ( 0.037 0.653 -0.749) 0.994 28.439 ( -0.037 0.653 0.749) 0.994 28.485 ( -0.581 -0.456 -0.518) 0.903 28.485 ( 0.581 -0.456 0.518) 0.903 28.574 ( -0.572 0.471 -0.653) 0.988 28.574 ( 0.572 0.471 0.653) 0.988 28.620 ( 0.253 -0.758 -0.151) 0.813 28.620 ( -0.253 -0.758 0.151) 0.813 35.453 ( -0.135 0.214 -3.027) 3.037 35.453 ( 0.135 0.214 3.027) 3.037 35.471 ( 0.339 -0.217 -2.689) 2.719 35.471 ( -0.339 -0.217 2.689) 2.719 36.343 ( 0.745 2.474 -2.446) 3.558 36.343 ( -0.745 2.474 2.446) 3.558 36.792 ( 2.093 -2.824 -9.976) 10.577 36.792 ( -2.093 -2.824 9.976) 10.577 37.702 ( 1.177 0.340 -1.736) 2.124 37.702 ( -1.177 0.340 1.736) 2.124 37.830 ( 0.333 0.332 -2.395) 2.440 37.830 ( -0.333 0.332 2.395) 2.440 38.034 ( -0.069 4.926 -0.702) 4.976 38.034 ( 0.069 4.926 0.702) 4.976 38.328 ( -1.807 -3.568 -0.997) 4.122 38.328 ( 1.807 -3.568 0.997) 4.122 38.754 ( -0.577 -0.094 -2.311) 2.384 38.754 ( 0.577 -0.094 2.311) 2.384 39.048 ( -2.191 -0.261 0.232) 2.218 39.048 ( 2.191 -0.261 -0.232) 2.218 39.389 ( -1.142 1.042 -1.804) 2.376 39.389 ( 1.142 1.042 1.804) 2.376 39.424 ( -2.258 0.436 0.328) 2.323 39.424 ( 2.258 0.436 -0.328) 2.323 39.859 ( -1.851 2.899 -2.775) 4.419 39.859 ( 1.851 2.899 2.775) 4.419 40.117 ( -6.871 -1.986 -5.748) 9.175 40.117 ( 6.871 -1.986 5.748) 9.175 40.631 ( 0.512 1.809 -2.626) 3.230 40.631 ( -0.512 1.809 2.626) 3.230 41.081 ( 4.427 -5.618 -7.296) 10.217 41.081 ( -4.427 -5.618 7.296) 10.217 ======================= Grid point 113 (62/66) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -2.020 -0.716 2.279) 3.128 1.488 ( -2.588 -1.347 1.853) 3.456 1.634 ( 4.464 -1.120 -1.116) 4.736 1.658 ( 4.603 -1.604 -0.609) 4.912 1.737 ( -1.785 3.170 -1.518) 3.941 1.834 ( 2.334 1.141 1.756) 3.136 1.861 ( 1.173 2.039 0.478) 2.400 1.883 ( -2.756 1.747 -0.771) 3.353 1.933 ( -0.107 -0.253 2.047) 2.065 1.975 ( 0.345 3.027 -0.312) 3.063 2.083 ( -2.568 -5.222 -2.571) 6.362 2.164 ( -2.590 -3.475 0.097) 4.335 2.260 ( -1.700 0.533 1.977) 2.661 2.361 ( -6.361 1.941 0.801) 6.698 2.377 ( -0.714 -3.411 1.098) 3.654 2.458 ( 3.048 -0.027 -0.955) 3.194 2.601 ( 0.805 -1.407 -1.062) 1.938 2.691 ( 3.877 0.661 -0.076) 3.934 2.772 ( 1.923 0.830 0.099) 2.097 2.781 ( -0.871 3.889 -0.697) 4.046 2.951 ( -0.257 -3.072 1.148) 3.290 2.991 ( 1.724 -1.843 -0.280) 2.539 3.034 ( 3.172 -0.843 1.801) 3.744 3.146 ( 2.826 -3.409 0.811) 4.501 3.639 ( -1.180 9.867 -3.426) 10.511 3.757 ( 1.036 3.211 4.210) 5.395 3.768 ( 1.911 5.318 -2.192) 6.061 3.913 ( 2.543 1.990 -0.278) 3.241 4.040 ( -4.103 3.055 -3.241) 6.056 4.209 ( -5.334 -2.346 2.865) 6.493 4.288 ( -1.978 3.340 -2.221) 4.472 4.360 ( -0.224 3.603 -0.500) 3.644 4.549 ( -0.053 -5.226 2.732) 5.897 4.638 ( 2.228 -0.326 -1.971) 2.993 4.655 ( -0.715 -4.022 2.641) 4.864 4.705 ( -3.217 -4.417 -3.785) 6.647 4.713 ( 6.441 0.290 -3.234) 7.213 4.765 ( 2.040 -3.909 -0.644) 4.456 4.857 ( 3.570 4.656 -6.765) 8.955 4.950 ( 2.003 0.039 6.399) 6.705 5.047 ( 9.557 2.440 1.406) 9.963 5.088 ( 5.508 1.089 -1.294) 5.762 5.233 ( 3.787 1.635 0.476) 4.153 5.263 ( 0.250 2.627 3.681) 4.529 5.284 ( 1.257 2.449 -1.954) 3.376 5.451 ( 0.195 -2.605 1.445) 2.986 5.473 ( -0.853 3.568 -0.808) 3.757 5.553 ( 1.037 2.417 5.537) 6.129 5.586 ( 1.137 2.048 -3.060) 3.854 5.676 ( 0.372 2.195 -3.766) 4.375 5.787 ( 6.755 -2.345 7.390) 10.283 5.872 ( 4.402 0.315 3.756) 5.795 5.922 ( -3.413 -0.633 3.496) 4.926 5.978 ( -0.862 -1.586 1.815) 2.560 6.007 ( 3.291 3.060 -0.173) 4.497 6.122 ( -0.418 0.419 4.715) 4.752 6.196 ( 8.162 1.899 2.457) 8.732 6.280 ( 7.072 0.062 -2.105) 7.379 6.319 ( -2.440 4.805 -5.701) 7.845 6.477 ( -0.953 -1.505 -2.442) 3.023 6.529 ( 3.726 2.474 -2.388) 5.070 6.614 ( -1.347 1.120 0.716) 1.893 6.704 ( -3.026 1.115 5.515) 6.389 6.710 ( -4.673 0.241 -6.798) 8.253 6.832 ( -4.092 -2.962 -5.873) 7.747 6.897 ( -1.603 -1.524 3.032) 3.753 7.054 ( -5.122 1.964 8.962) 10.507 7.136 ( -3.702 3.833 -1.504) 5.537 7.191 ( 1.188 -5.153 4.096) 6.689 7.249 ( -2.349 6.670 -8.494) 11.052 7.310 ( -1.078 3.895 -3.988) 5.678 7.333 ( -4.919 3.248 -1.424) 6.064 7.477 ( 2.601 -0.966 6.034) 6.641 7.575 ( -1.992 4.691 -11.527) 12.604 7.651 ( 1.176 1.733 3.666) 4.222 7.750 ( 2.419 6.080 -0.489) 6.561 7.862 ( 0.328 -1.834 0.038) 1.864 7.988 ( 2.518 2.348 0.389) 3.464 8.058 ( 2.661 -6.434 -3.794) 7.929 8.183 ( -2.100 -3.131 0.942) 3.886 8.188 ( -3.294 -2.179 0.583) 3.992 8.260 ( -3.713 -1.148 3.198) 5.033 8.348 ( -3.542 -0.913 1.853) 4.100 8.496 ( 0.848 2.500 -1.855) 3.226 8.543 ( -5.245 0.494 -3.047) 6.086 8.667 ( -0.684 2.406 3.886) 4.622 8.733 ( 0.695 0.470 -2.413) 2.555 8.781 ( -0.613 -1.059 3.589) 3.791 8.884 ( 4.225 1.261 -0.394) 4.427 8.925 ( 5.504 0.812 0.963) 5.646 9.003 ( 2.676 0.230 1.826) 3.248 9.037 ( 1.958 -1.411 0.106) 2.416 9.129 ( -3.554 -5.078 -0.200) 6.202 9.212 ( -1.571 -2.783 -1.214) 3.418 9.268 ( -1.469 -3.326 -2.460) 4.390 9.327 ( -4.688 -6.499 -3.225) 8.638 9.472 ( 5.419 -0.513 -0.149) 5.445 9.518 ( 1.684 -0.671 2.483) 3.075 9.587 ( 3.035 -2.548 1.602) 4.274 9.622 ( 5.140 -3.182 -1.218) 6.167 9.923 ( -11.515 -0.170 0.274) 11.519 9.980 ( -10.154 -1.413 0.758) 10.280 10.079 ( -4.324 -1.106 -1.144) 4.607 10.093 ( -5.054 -1.050 -0.707) 5.210 11.551 ( 0.709 -1.072 -2.777) 3.060 11.559 ( -0.329 -1.495 1.894) 2.436 11.583 ( -0.422 -1.440 2.895) 3.261 11.592 ( 0.610 -1.614 -1.926) 2.586 11.976 ( 0.013 1.159 0.300) 1.197 12.006 ( 0.349 0.006 -0.368) 0.507 12.014 ( -0.056 2.321 -0.254) 2.335 12.050 ( -0.029 1.102 0.412) 1.177 12.524 ( -2.622 -1.166 3.453) 4.490 12.535 ( -2.310 -1.008 2.308) 3.417 12.598 ( 0.452 -0.640 -1.016) 1.283 12.609 ( 1.598 -0.181 -0.983) 1.885 12.675 ( -2.166 0.802 1.659) 2.844 12.739 ( -1.704 0.050 2.731) 3.220 12.796 ( 1.340 -0.341 -4.885) 5.077 12.816 ( 0.018 -0.153 1.602) 1.610 12.957 ( 1.632 -0.390 0.036) 1.678 13.004 ( -0.185 -1.848 -0.382) 1.896 13.135 ( -3.837 1.891 1.473) 4.524 13.205 ( -4.988 -1.397 1.270) 5.333 13.664 ( 1.977 2.166 -0.079) 2.933 13.724 ( 2.401 1.058 -4.668) 5.354 13.731 ( 3.597 -0.374 -5.238) 6.365 13.771 ( 1.754 -0.672 1.449) 2.372 14.251 ( 3.635 0.019 -2.173) 4.235 14.270 ( 2.678 -0.116 -0.630) 2.754 14.330 ( 3.845 1.328 -1.926) 4.501 14.392 ( 1.879 -0.785 -2.361) 3.118 14.455 ( -1.916 -0.622 2.599) 3.288 14.468 ( -0.451 -0.912 1.028) 1.446 14.880 ( -0.616 0.952 2.509) 2.753 14.918 ( 0.146 -0.402 0.145) 0.452 17.483 ( -0.159 -0.342 -0.469) 0.602 17.496 ( -0.108 -0.853 -0.496) 0.993 17.730 ( 1.272 0.583 -1.063) 1.758 17.737 ( 1.284 0.474 0.135) 1.376 17.881 ( -4.033 -0.210 0.067) 4.039 17.902 ( -3.815 -0.860 0.937) 4.022 17.931 ( -5.652 1.434 2.223) 6.241 17.971 ( -5.073 0.070 3.155) 5.974 18.437 ( 1.451 0.004 -1.510) 2.094 18.453 ( 1.135 -0.512 -1.513) 1.959 18.611 ( -1.297 0.335 0.856) 1.590 18.639 ( -1.746 -0.656 -0.043) 1.865 18.838 ( 4.982 1.098 -0.089) 5.103 18.855 ( 6.085 0.661 -0.830) 6.177 18.912 ( 3.443 0.572 -0.386) 3.511 18.947 ( 2.658 -0.352 2.374) 3.581 19.663 ( -0.855 0.204 3.995) 4.090 19.671 ( 0.851 -0.029 -3.905) 3.997 19.834 ( 0.377 -0.027 -1.236) 1.292 19.834 ( -0.151 -0.058 1.212) 1.223 19.940 ( -0.239 0.111 0.091) 0.278 19.941 ( -0.181 0.068 -0.218) 0.291 20.321 ( 0.401 -1.278 0.658) 1.492 20.323 ( 0.583 -1.282 -0.208) 1.424 20.566 ( -0.069 1.271 -0.044) 1.274 20.567 ( -0.072 1.230 -0.010) 1.232 20.707 ( -0.186 0.033 1.194) 1.209 20.709 ( 0.339 -0.032 -1.222) 1.268 20.909 ( -0.364 -0.488 1.635) 1.745 20.916 ( 0.352 -0.684 -1.750) 1.911 21.114 ( 0.275 0.505 -0.443) 0.726 21.120 ( 0.038 0.270 0.631) 0.687 24.571 ( -0.803 0.054 -0.076) 0.809 24.580 ( -1.237 -0.355 -0.493) 1.378 24.600 ( -1.998 0.444 -0.392) 2.084 24.615 ( -2.287 -0.194 0.302) 2.315 24.997 ( 1.963 0.284 -0.221) 1.996 25.015 ( 1.616 -0.364 0.871) 1.872 25.105 ( 0.489 0.381 -0.354) 0.714 25.124 ( 0.448 -0.285 -0.267) 0.595 28.447 ( 0.865 0.754 -0.439) 1.229 28.453 ( 0.963 0.506 0.392) 1.156 28.479 ( 0.309 0.103 -0.070) 0.333 28.514 ( 1.780 -0.957 -0.011) 2.021 28.549 ( -1.554 0.445 -0.337) 1.652 28.583 ( 0.167 0.223 0.563) 0.628 28.599 ( -1.634 -0.860 0.083) 1.848 28.615 ( -0.841 -0.403 -0.119) 0.940 35.447 ( 0.974 0.103 -3.123) 3.274 35.464 ( -0.243 -0.574 1.171) 1.327 35.479 ( 0.767 0.376 2.215) 2.374 35.488 ( 0.550 0.207 1.298) 1.425 36.337 ( -0.249 2.658 1.394) 3.012 36.350 ( 0.379 2.427 -1.394) 2.824 36.784 ( 0.126 -3.089 -1.783) 3.568 36.793 ( -0.105 -3.051 -0.614) 3.114 37.698 ( 0.136 0.842 3.310) 3.418 37.726 ( 1.091 0.017 -1.175) 1.603 37.840 ( 1.411 0.707 -2.846) 3.254 37.849 ( 0.884 -0.111 2.212) 2.385 37.992 ( -2.010 5.221 0.219) 5.599 38.039 ( -1.126 4.010 -1.158) 4.323 38.306 ( 0.504 -3.091 0.350) 3.151 38.360 ( 0.552 -3.921 0.341) 3.975 38.746 ( 0.724 0.562 -1.836) 2.052 38.774 ( -0.135 -0.266 2.290) 2.310 39.041 ( 1.925 1.042 0.432) 2.231 39.105 ( 3.576 -1.240 -1.745) 4.168 39.313 ( -4.800 1.134 -1.727) 5.225 39.337 ( -4.756 0.383 0.541) 4.802 39.389 ( -1.070 1.680 0.823) 2.155 39.456 ( -0.586 -0.627 -2.382) 2.532 39.845 ( 1.311 0.134 1.581) 2.058 39.910 ( -0.827 -1.248 -2.496) 2.911 40.051 ( 4.309 5.357 2.207) 7.221 40.234 ( 1.296 1.103 3.100) 3.537 40.618 ( 0.116 0.043 -1.866) 1.870 40.641 ( -0.704 -1.438 3.697) 4.029 41.022 ( -2.823 -3.617 5.029) 6.807 41.099 ( 0.528 -6.013 -8.578) 10.489 ======================= Grid point 114 (63/66) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.007 -1.226 -1.811) 2.187 1.444 ( -0.007 -1.226 1.811) 2.187 1.697 ( -1.797 1.963 -0.266) 2.674 1.697 ( 1.797 1.963 0.266) 2.674 1.776 ( -6.341 -0.661 0.861) 6.433 1.776 ( 6.341 -0.661 -0.861) 6.433 1.866 ( -2.270 0.974 -1.039) 2.679 1.866 ( 2.270 0.974 1.039) 2.679 1.993 ( -2.016 1.008 -5.881) 6.298 1.993 ( 2.016 1.008 5.881) 6.298 2.077 ( -6.722 -3.516 1.495) 7.732 2.077 ( 6.722 -3.516 -1.495) 7.732 2.238 ( 1.950 0.541 -3.491) 4.035 2.238 ( -1.950 0.541 3.491) 4.035 2.441 ( -2.956 -1.420 -0.363) 3.300 2.441 ( 2.956 -1.420 0.363) 3.300 2.665 ( -2.523 1.416 -1.985) 3.508 2.665 ( 2.523 1.416 1.985) 3.508 2.795 ( 1.429 2.920 -3.432) 4.727 2.795 ( -1.429 2.920 3.432) 4.727 2.975 ( -2.152 -1.738 -0.634) 2.838 2.975 ( 2.152 -1.738 0.633) 2.838 3.136 ( -3.935 -4.915 -0.759) 6.342 3.136 ( 3.935 -4.915 0.759) 6.342 3.693 ( -2.105 8.131 -2.668) 8.812 3.693 ( 2.105 8.131 2.668) 8.812 3.852 ( -3.786 4.442 -6.454) 8.702 3.852 ( 3.786 4.442 6.454) 8.702 4.079 ( -3.885 -1.065 -0.603) 4.074 4.079 ( 3.885 -1.065 0.603) 4.074 4.305 ( -1.217 0.901 -2.256) 2.717 4.305 ( 1.217 0.901 2.256) 2.717 4.602 ( -2.865 -4.079 -2.642) 5.641 4.602 ( 2.865 -4.079 2.642) 5.641 4.646 ( 1.677 -4.206 -4.207) 6.181 4.646 ( -1.677 -4.206 4.207) 6.181 4.827 ( 0.507 4.722 -7.375) 8.772 4.827 ( -0.507 4.722 7.375) 8.772 4.935 ( -4.518 1.187 0.611) 4.711 4.935 ( 4.518 1.187 -0.611) 4.711 5.167 ( 1.794 1.189 -1.266) 2.497 5.167 ( -1.794 1.189 1.266) 2.497 5.269 ( -0.794 3.718 -5.070) 6.337 5.269 ( 0.794 3.718 5.070) 6.337 5.393 ( -1.401 1.315 -0.630) 2.022 5.393 ( 1.401 1.315 0.630) 2.022 5.453 ( 5.500 0.700 -3.075) 6.340 5.453 ( -5.500 0.700 3.075) 6.340 5.662 ( -0.453 -1.784 -3.802) 4.225 5.662 ( 0.453 -1.784 3.802) 4.225 5.904 ( -1.077 -1.542 -4.385) 4.771 5.904 ( 1.077 -1.542 4.384) 4.771 5.987 ( 0.790 -0.230 -8.558) 8.597 5.987 ( -0.790 -0.230 8.558) 8.597 6.061 ( -4.776 2.999 -0.072) 5.640 6.061 ( 4.776 2.999 0.072) 5.640 6.323 ( -0.310 5.740 -4.607) 7.367 6.323 ( 0.310 5.740 4.607) 7.367 6.430 ( -6.226 -3.247 -5.888) 9.163 6.430 ( 6.226 -3.247 5.888) 9.163 6.512 ( 3.647 -0.931 -9.435) 10.158 6.512 ( -3.647 -0.931 9.435) 10.158 6.692 ( -4.808 -1.716 -0.064) 5.105 6.692 ( 4.808 -1.716 0.064) 5.105 6.798 ( -6.663 0.878 -4.643) 8.169 6.798 ( 6.663 0.878 4.643) 8.169 7.050 ( -4.040 3.672 -2.877) 6.171 7.050 ( 4.040 3.672 2.877) 6.171 7.179 ( -5.402 5.783 -5.611) 9.701 7.179 ( 5.402 5.783 5.611) 9.701 7.314 ( 0.499 5.026 -1.678) 5.322 7.314 ( -0.499 5.026 1.678) 5.322 7.530 ( 1.729 -0.480 -12.917) 13.041 7.530 ( -1.729 -0.480 12.917) 13.041 7.725 ( -2.932 -0.392 -2.875) 4.125 7.725 ( 2.932 -0.392 2.875) 4.125 7.914 ( -0.093 -4.432 -4.895) 6.604 7.914 ( 0.093 -4.432 4.895) 6.604 8.093 ( -3.801 -1.377 -2.409) 4.706 8.093 ( 3.801 -1.377 2.409) 4.706 8.289 ( -2.605 -1.710 -0.280) 3.129 8.289 ( 2.605 -1.710 0.280) 3.129 8.320 ( -10.452 1.480 -5.705) 11.999 8.320 ( 10.452 1.480 5.705) 11.999 8.592 ( 1.135 5.697 -7.003) 9.099 8.592 ( -1.135 5.697 7.003) 9.099 8.757 ( 1.519 -0.176 -2.099) 2.597 8.757 ( -1.519 -0.176 2.099) 2.597 8.955 ( -0.192 0.104 -1.214) 1.233 8.955 ( 0.192 0.104 1.214) 1.233 9.060 ( -0.074 -1.368 -1.451) 1.996 9.060 ( 0.074 -1.368 1.451) 1.996 9.145 ( -2.442 -3.885 -4.662) 6.541 9.145 ( 2.442 -3.885 4.662) 6.541 9.275 ( -1.346 -5.618 -0.502) 5.799 9.275 ( 1.346 -5.618 0.502) 5.799 9.539 ( 2.774 0.618 -1.406) 3.171 9.539 ( -2.774 0.618 1.406) 3.171 9.664 ( -2.424 -2.798 -0.371) 3.721 9.664 ( 2.424 -2.798 0.371) 3.721 9.807 ( -3.247 -1.248 -0.729) 3.554 9.807 ( 3.247 -1.248 0.729) 3.554 10.008 ( -0.454 -1.774 -0.564) 1.916 10.008 ( 0.454 -1.774 0.564) 1.916 11.556 ( 0.977 -1.123 -3.355) 3.670 11.556 ( -0.977 -1.123 3.355) 3.670 11.590 ( 0.229 -1.625 -2.488) 2.980 11.590 ( -0.229 -1.625 2.488) 2.980 11.988 ( -0.258 1.519 -1.040) 1.859 11.988 ( 0.258 1.519 1.040) 1.859 12.037 ( 0.477 1.052 -2.421) 2.682 12.037 ( -0.477 1.052 2.421) 2.682 12.510 ( -0.453 -1.048 -0.187) 1.157 12.510 ( 0.453 -1.048 0.187) 1.157 12.606 ( -0.658 -0.714 -0.161) 0.984 12.606 ( 0.658 -0.714 0.161) 0.984 12.699 ( -2.408 1.289 -1.268) 3.011 12.699 ( 2.408 1.289 1.268) 3.011 12.803 ( 1.607 -0.321 -3.045) 3.458 12.803 ( -1.607 -0.321 3.045) 3.458 13.021 ( 1.409 -0.892 -1.760) 2.425 13.021 ( -1.409 -0.892 1.760) 2.425 13.089 ( -2.617 -0.952 -1.925) 3.385 13.089 ( 2.617 -0.952 1.925) 3.385 13.713 ( -0.746 2.041 -2.984) 3.692 13.713 ( 0.746 2.041 2.984) 3.692 13.780 ( 2.032 -0.576 -3.281) 3.902 13.780 ( -2.032 -0.576 3.281) 3.902 14.319 ( 0.984 -0.202 -2.291) 2.502 14.319 ( -0.984 -0.202 2.291) 2.502 14.364 ( 0.403 -0.114 -1.930) 1.975 14.364 ( -0.403 -0.114 1.930) 1.975 14.457 ( 1.525 -0.094 -0.917) 1.782 14.457 ( -1.525 -0.094 0.917) 1.782 14.900 ( -1.252 0.046 -0.807) 1.491 14.900 ( 1.252 0.046 0.807) 1.491 17.486 ( -0.275 -0.714 -0.088) 0.770 17.486 ( 0.275 -0.714 0.088) 0.770 17.764 ( 0.579 0.967 -0.630) 1.291 17.764 ( -0.579 0.967 0.630) 1.291 17.840 ( 1.796 0.636 -1.953) 2.729 17.840 ( -1.796 0.636 1.953) 2.729 17.881 ( 2.939 -0.630 -2.425) 3.862 17.881 ( -2.939 -0.630 2.425) 3.862 18.456 ( -0.418 -0.307 -0.336) 0.618 18.456 ( 0.418 -0.307 0.336) 0.618 18.616 ( -0.724 -0.316 -0.615) 1.002 18.616 ( 0.724 -0.316 0.615) 1.002 18.905 ( 0.065 1.415 -1.684) 2.200 18.905 ( -0.065 1.415 1.684) 2.200 18.969 ( 1.782 -0.339 -2.387) 2.998 18.969 ( -1.782 -0.339 2.387) 2.998 19.668 ( 0.528 0.065 -3.933) 3.969 19.668 ( -0.528 0.065 3.933) 3.969 19.835 ( 0.305 -0.040 -1.301) 1.337 19.835 ( -0.305 -0.040 1.301) 1.337 19.937 ( -0.007 0.063 -0.205) 0.215 19.937 ( 0.007 0.063 0.205) 0.215 20.329 ( 0.078 -1.251 -0.682) 1.427 20.329 ( -0.078 -1.251 0.682) 1.427 20.566 ( 0.057 1.184 -0.285) 1.219 20.566 ( -0.057 1.184 0.285) 1.219 20.709 ( 0.160 0.002 -1.185) 1.196 20.709 ( -0.159 0.002 1.185) 1.196 20.912 ( 0.049 -0.540 -1.450) 1.548 20.912 ( -0.049 -0.540 1.450) 1.548 21.119 ( 0.377 0.402 -0.647) 0.850 21.119 ( -0.377 0.402 0.647) 0.850 24.569 ( -0.261 0.099 -0.530) 0.599 24.569 ( 0.261 0.099 0.530) 0.599 24.575 ( -0.991 -0.124 -0.036) 1.000 24.575 ( 0.991 -0.124 0.036) 1.000 25.029 ( 0.795 0.122 -0.476) 0.935 25.029 ( -0.795 0.122 0.476) 0.935 25.119 ( -0.753 -0.119 0.061) 0.765 25.119 ( 0.753 -0.119 -0.061) 0.765 28.461 ( -0.344 0.658 -0.059) 0.745 28.461 ( 0.344 0.658 0.059) 0.745 28.504 ( -1.800 0.224 -0.690) 1.940 28.504 ( 1.800 0.224 0.690) 1.940 28.560 ( -1.981 -1.052 -0.302) 2.264 28.560 ( 1.981 -1.052 0.302) 2.264 28.595 ( -0.800 0.072 -0.357) 0.879 28.595 ( 0.800 0.072 0.357) 0.879 35.459 ( 1.221 -0.283 -3.088) 3.332 35.459 ( -1.221 -0.283 3.088) 3.332 35.495 ( 0.183 0.396 -1.431) 1.496 35.495 ( -0.183 0.396 1.431) 1.496 36.344 ( 0.084 2.635 -2.165) 3.411 36.344 ( -0.084 2.635 2.165) 3.411 36.785 ( 1.752 -3.327 -8.185) 9.008 36.785 ( -1.752 -3.327 8.185) 9.008 37.724 ( -0.390 0.489 -3.415) 3.472 37.724 ( 0.390 0.489 3.415) 3.472 37.857 ( 1.254 0.416 -2.504) 2.831 37.857 ( -1.254 0.416 2.504) 2.831 37.993 ( -1.979 4.179 -1.156) 4.766 37.993 ( 1.979 4.179 1.156) 4.766 38.343 ( -1.891 -3.445 -0.969) 4.047 38.343 ( 1.891 -3.445 0.969) 4.047 38.762 ( 1.221 0.573 -2.050) 2.454 38.762 ( -1.221 0.573 2.050) 2.454 39.116 ( -3.106 0.146 -3.120) 4.404 39.116 ( 3.106 0.146 3.120) 4.404 39.258 ( -1.889 0.688 -0.016) 2.011 39.258 ( 1.889 0.688 0.016) 2.011 39.404 ( -2.162 0.002 -2.031) 2.966 39.404 ( 2.162 0.002 2.031) 2.966 39.881 ( -0.879 -1.174 -2.500) 2.898 39.881 ( 0.879 -1.174 2.500) 2.898 40.183 ( -5.565 5.719 -2.264) 8.294 40.183 ( 5.565 5.719 2.264) 8.294 40.627 ( 2.228 -2.883 -5.724) 6.785 40.627 ( -2.228 -2.883 5.724) 6.785 41.044 ( -1.836 -4.313 -6.872) 8.318 41.044 ( 1.836 -4.313 6.872) 8.318 ======================= Grid point 117 (64/66) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 -0.000 -0.000) 0.000 1.492 ( -0.000 -0.000 0.000) 0.000 1.540 ( 0.000 0.000 -0.000) 0.000 1.540 ( -0.000 0.000 0.000) 0.000 1.825 ( -0.000 0.000 -0.000) 0.000 1.825 ( -0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.044 ( -0.000 -0.000 -0.000) 0.000 2.044 ( -0.000 0.000 0.000) 0.000 2.057 ( 0.000 -0.000 0.000) 0.000 2.057 ( 0.000 -0.000 0.000) 0.000 2.367 ( 0.000 -0.000 -0.000) 0.000 2.367 ( 0.000 0.000 -0.000) 0.000 2.376 ( -0.000 -0.000 0.000) 0.001 2.376 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.635 ( -0.000 0.000 0.000) 0.000 2.724 ( -0.000 -0.000 0.000) 0.000 2.724 ( -0.000 -0.000 0.000) 0.000 2.946 ( 0.000 -0.000 0.000) 0.000 2.946 ( -0.000 0.000 0.000) 0.000 3.052 ( -0.000 0.000 0.000) 0.000 3.052 ( -0.000 0.000 0.000) 0.000 3.782 ( -0.000 0.000 -0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 -0.000) 0.000 3.881 ( -0.000 0.000 0.000) 0.000 4.191 ( -0.000 -0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 -0.000 -0.000) 0.000 4.475 ( -0.000 0.000 -0.000) 0.000 4.483 ( -0.000 -0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.583 ( -0.000 -0.000 0.000) 0.000 4.583 ( -0.000 0.000 0.000) 0.000 4.692 ( -0.000 -0.000 0.000) 0.000 4.692 ( -0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 -0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.980 ( -0.000 -0.000 -0.000) 0.000 4.980 ( -0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.433 ( -0.000 -0.000 0.000) 0.000 5.433 ( -0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 -0.000) 0.000 5.464 ( 0.000 -0.000 0.000) 0.000 5.678 ( 0.000 0.000 -0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.730 ( -0.000 -0.000 0.000) 0.000 5.730 ( -0.000 0.000 0.000) 0.000 5.989 ( -0.000 -0.000 -0.000) 0.000 5.989 ( -0.000 -0.000 0.000) 0.000 6.007 ( 0.000 0.000 -0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.212 ( -0.000 0.000 0.000) 0.000 6.212 ( -0.000 0.000 0.000) 0.000 6.449 ( -0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.610 ( -0.000 0.000 0.000) 0.000 6.740 ( -0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 -0.000 -0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 7.120 ( -0.000 0.000 0.000) 0.000 7.120 ( -0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 -0.000) 0.000 7.267 ( -0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.334 ( -0.000 0.000 0.000) 0.000 7.667 ( -0.000 0.000 -0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.687 ( -0.000 -0.000 0.000) 0.000 7.687 ( 0.000 -0.000 0.000) 0.000 7.953 ( -0.000 -0.000 0.000) 0.000 7.953 ( -0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.187 ( -0.000 -0.000 0.000) 0.000 8.187 ( -0.000 0.000 0.000) 0.000 8.551 ( -0.000 0.000 -0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.594 ( -0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.651 ( -0.000 -0.000 -0.000) 0.000 8.651 ( 0.000 -0.000 0.000) 0.000 8.847 ( -0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 9.060 ( 0.000 0.000 0.000) 0.000 9.060 ( -0.000 0.000 0.000) 0.000 9.147 ( 0.000 -0.000 -0.000) 0.000 9.147 ( -0.000 0.000 0.000) 0.000 9.291 ( -0.000 -0.000 -0.000) 0.000 9.291 ( 0.000 -0.000 0.000) 0.000 9.416 ( -0.000 0.000 0.000) 0.000 9.416 ( -0.000 0.000 0.000) 0.000 9.521 ( -0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 10.069 ( -0.000 0.000 -0.000) 0.000 10.069 ( -0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.127 ( -0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 -0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.564 ( -0.000 0.000 0.000) 0.000 11.564 ( -0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 11.995 ( -0.000 0.000 0.000) 0.000 12.055 ( 0.000 0.000 0.000) 0.000 12.055 ( -0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 12.544 ( -0.000 0.000 0.000) 0.000 12.584 ( 0.000 -0.000 -0.000) 0.000 12.584 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 -0.000 -0.001) 0.001 12.750 ( 0.000 0.000 0.001) 0.001 12.752 ( -0.000 0.000 -0.001) 0.001 12.752 ( -0.000 -0.000 0.001) 0.002 13.000 ( 0.000 0.000 0.000) 0.000 13.000 ( -0.000 0.000 0.000) 0.000 13.213 ( -0.000 0.000 0.000) 0.000 13.213 ( -0.000 -0.000 0.000) 0.000 13.696 ( -0.000 -0.000 -0.000) 0.000 13.696 ( -0.000 -0.000 0.000) 0.000 13.708 ( 0.000 -0.000 -0.000) 0.000 13.708 ( 0.000 0.000 0.000) 0.000 14.246 ( -0.000 -0.000 0.000) 0.000 14.246 ( -0.000 0.000 0.000) 0.000 14.309 ( 0.000 0.000 0.000) 0.000 14.309 ( 0.000 0.000 0.000) 0.000 14.466 ( -0.000 0.000 0.000) 0.000 14.466 ( -0.000 0.000 0.000) 0.000 14.904 ( -0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 17.485 ( -0.000 0.000 0.000) 0.000 17.485 ( -0.000 0.000 0.000) 0.000 17.729 ( -0.000 0.000 0.000) 0.000 17.729 ( 0.000 0.000 0.000) 0.000 17.940 ( 0.000 0.000 0.000) 0.000 17.940 ( 0.000 0.000 0.000) 0.000 18.007 ( -0.000 0.000 0.000) 0.000 18.007 ( -0.000 0.000 0.000) 0.000 18.432 ( -0.000 0.000 0.000) 0.000 18.432 ( 0.000 0.000 0.000) 0.000 18.675 ( -0.000 0.000 0.000) 0.000 18.675 ( -0.000 0.000 0.000) 0.000 18.753 ( -0.000 0.000 0.000) 0.000 18.753 ( 0.000 0.000 0.000) 0.000 18.893 ( -0.000 0.000 0.000) 0.000 18.893 ( 0.000 0.000 0.000) 0.000 19.669 ( -0.000 0.000 0.000) 0.000 19.669 ( -0.000 0.000 0.000) 0.000 19.832 ( -0.000 0.000 0.000) 0.000 19.832 ( -0.000 0.000 0.000) 0.000 19.945 ( -0.000 -0.000 0.000) 0.000 19.945 ( -0.000 0.000 0.000) 0.000 20.298 ( -0.000 0.000 0.000) 0.000 20.298 ( -0.000 0.000 0.000) 0.000 20.586 ( -0.000 0.000 0.000) 0.000 20.586 ( -0.000 0.000 0.000) 0.000 20.707 ( -0.000 -0.000 0.000) 0.000 20.707 ( -0.000 0.000 0.000) 0.000 20.904 ( -0.000 0.000 0.000) 0.000 20.904 ( -0.000 0.000 0.000) 0.000 21.120 ( -0.000 0.000 0.000) 0.000 21.120 ( -0.000 0.000 0.000) 0.000 24.590 ( -0.000 0.000 0.000) 0.000 24.590 ( 0.000 0.000 0.000) 0.000 24.634 ( 0.000 0.000 0.000) 0.000 24.634 ( -0.000 0.000 0.000) 0.000 24.982 ( 0.000 0.000 0.000) 0.000 24.982 ( -0.000 0.000 0.000) 0.000 25.110 ( 0.000 0.000 0.000) 0.000 25.110 ( -0.000 0.000 0.000) 0.000 28.451 ( 0.000 0.000 0.000) 0.000 28.451 ( 0.000 0.000 0.000) 0.000 28.476 ( 0.000 -0.000 0.000) 0.000 28.476 ( -0.000 0.000 0.000) 0.000 28.584 ( -0.000 0.000 0.000) 0.000 28.584 ( -0.000 0.000 0.000) 0.000 28.607 ( -0.000 -0.000 0.000) 0.000 28.607 ( 0.000 0.000 0.000) 0.000 35.457 ( 0.000 0.000 -0.000) 0.000 35.457 ( -0.000 0.000 0.000) 0.000 35.467 ( -0.000 0.000 -0.000) 0.000 35.467 ( -0.000 0.000 0.000) 0.000 36.381 ( 0.000 0.000 0.000) 0.000 36.381 ( -0.000 0.000 0.000) 0.000 36.749 ( -0.000 0.000 0.000) 0.000 36.749 ( -0.000 0.000 0.000) 0.000 37.707 ( 0.000 0.000 0.000) 0.000 37.707 ( -0.000 0.000 0.000) 0.000 37.833 ( 0.000 0.000 0.000) 0.000 37.833 ( -0.000 0.000 0.000) 0.000 38.132 ( 0.000 -0.000 0.000) 0.000 38.132 ( -0.000 0.000 0.000) 0.000 38.251 ( -0.000 -0.000 0.000) 0.000 38.251 ( -0.000 0.000 0.000) 0.000 38.753 ( 0.000 0.000 0.000) 0.000 38.753 ( -0.000 0.000 0.000) 0.000 39.044 ( -0.000 -0.000 0.000) 0.000 39.044 ( -0.000 0.000 0.000) 0.000 39.403 ( -0.000 0.000 -0.000) 0.000 39.403 ( 0.000 0.000 -0.000) 0.000 39.430 ( -0.000 0.000 0.000) 0.000 39.430 ( -0.000 0.000 0.000) 0.000 39.911 ( 0.000 -0.000 0.000) 0.000 39.911 ( -0.000 0.000 0.000) 0.000 40.077 ( -0.000 -0.000 0.000) 0.000 40.077 ( -0.000 0.000 0.000) 0.000 40.671 ( 0.000 -0.000 0.000) 0.000 40.671 ( -0.000 0.000 0.000) 0.000 40.988 ( 0.000 0.000 0.000) 0.000 40.988 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 121 (65/66) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -3.080 -1.308 3.605) 4.918 1.455 ( -3.080 1.308 3.605) 4.918 1.622 ( 6.929 -0.860 -2.755) 7.506 1.622 ( 6.929 0.860 -2.755) 7.506 1.800 ( -1.943 -2.041 -0.943) 2.972 1.800 ( -1.943 2.041 -0.943) 2.972 1.910 ( 0.172 -1.909 0.273) 1.936 1.910 ( 0.172 1.909 0.273) 1.936 1.964 ( -2.114 -3.351 1.901) 4.394 1.964 ( -2.114 3.351 1.901) 4.394 2.087 ( -1.366 -4.259 -0.184) 4.477 2.087 ( -1.366 4.259 -0.184) 4.477 2.289 ( -3.441 -2.154 1.731) 4.413 2.289 ( -3.441 2.154 1.731) 4.413 2.412 ( -0.168 -3.263 -0.789) 3.361 2.412 ( -0.168 3.263 -0.789) 3.361 2.698 ( 4.645 -4.560 1.872) 6.773 2.698 ( 4.645 4.560 1.872) 6.773 2.767 ( 4.634 -5.576 -3.478) 8.041 2.767 ( 4.634 5.576 -3.478) 8.041 2.931 ( -1.603 -5.325 0.106) 5.562 2.931 ( -1.603 5.325 0.106) 5.562 3.068 ( 0.485 -2.607 1.714) 3.158 3.068 ( 0.485 2.607 1.714) 3.158 3.781 ( 1.489 -2.829 -4.364) 5.410 3.781 ( 1.489 2.829 -4.364) 5.410 3.900 ( 1.541 -6.247 3.294) 7.229 3.900 ( 1.541 6.247 3.294) 7.229 4.105 ( -6.798 -3.759 0.124) 7.769 4.105 ( -6.798 3.759 0.124) 7.769 4.429 ( -3.951 -3.632 0.851) 5.434 4.429 ( -3.951 3.632 0.851) 5.434 4.509 ( 0.910 -4.369 -1.264) 4.639 4.509 ( 0.910 4.369 -1.264) 4.639 4.607 ( -0.895 -3.645 -2.572) 4.550 4.607 ( -0.895 3.645 -2.572) 4.550 4.722 ( 8.211 -1.432 -0.168) 8.337 4.722 ( 8.211 1.432 -0.168) 8.337 4.939 ( 5.616 -1.482 -2.371) 6.274 4.939 ( 5.616 1.482 -2.371) 6.274 5.108 ( 6.969 -0.902 1.044) 7.104 5.108 ( 6.969 0.902 1.044) 7.104 5.287 ( 2.870 -1.931 2.970) 4.559 5.287 ( 2.870 1.931 2.970) 4.559 5.372 ( -1.486 -3.878 1.467) 4.404 5.372 ( -1.486 3.878 1.467) 4.404 5.540 ( -1.091 -2.589 -0.310) 2.826 5.540 ( -1.090 2.589 -0.310) 2.826 5.640 ( -2.451 -2.721 -2.531) 4.452 5.640 ( -2.451 2.721 -2.531) 4.452 5.831 ( 10.019 -5.568 2.978) 11.843 5.831 ( 10.019 5.568 2.978) 11.843 5.929 ( -3.154 -1.146 4.434) 5.561 5.929 ( -3.154 1.146 4.434) 5.561 6.097 ( 1.036 -3.143 5.221) 6.182 6.097 ( 1.036 3.143 5.221) 6.182 6.253 ( 6.612 -2.672 -2.021) 7.412 6.253 ( 6.612 2.672 -2.021) 7.412 6.419 ( -1.339 -3.372 -5.247) 6.379 6.419 ( -1.339 3.372 -5.247) 6.379 6.579 ( -1.990 -2.123 -1.661) 3.350 6.579 ( -1.990 2.123 -1.661) 3.350 6.721 ( -3.862 -2.732 1.532) 4.973 6.721 ( -3.862 2.732 1.532) 4.973 6.876 ( -1.001 -4.269 -0.163) 4.388 6.876 ( -1.001 4.269 -0.163) 4.388 7.097 ( -4.505 -2.663 3.620) 6.363 7.097 ( -4.505 2.663 3.620) 6.363 7.244 ( 4.593 -5.294 -0.348) 7.017 7.244 ( 4.593 5.294 -0.348) 7.017 7.384 ( -0.035 -2.210 -1.858) 2.888 7.384 ( -0.035 2.210 -1.858) 2.888 7.531 ( -2.133 -6.871 -5.517) 9.066 7.531 ( -2.133 6.871 -5.517) 9.066 7.763 ( -1.923 -7.111 -2.506) 7.781 7.763 ( -1.923 7.111 -2.506) 7.781 7.894 ( -4.568 -5.651 0.654) 7.296 7.894 ( -4.568 5.651 0.654) 7.296 8.084 ( 1.621 -4.422 -0.147) 4.712 8.084 ( 1.621 4.422 -0.147) 4.712 8.202 ( -0.062 -3.176 6.458) 7.197 8.202 ( -0.062 3.176 6.458) 7.197 8.418 ( -6.089 -6.717 -1.633) 9.212 8.418 ( -6.089 6.717 -1.633) 9.212 8.649 ( 5.805 -6.336 -2.580) 8.972 8.649 ( 5.805 6.336 -2.580) 8.972 8.749 ( 0.909 -3.118 1.246) 3.478 8.749 ( 0.909 3.118 1.246) 3.478 8.915 ( 5.444 -0.914 1.181) 5.645 8.915 ( 5.444 0.914 1.181) 5.645 9.045 ( -1.420 -1.358 1.583) 2.523 9.045 ( -1.420 1.358 1.583) 2.523 9.113 ( -3.120 -7.941 -2.039) 8.772 9.113 ( -3.120 7.941 -2.039) 8.772 9.192 ( -3.048 -2.472 -2.156) 4.478 9.192 ( -3.048 2.472 -2.156) 4.478 9.495 ( 3.858 -2.033 1.377) 4.573 9.495 ( 3.858 2.033 1.377) 4.573 9.562 ( 4.077 -1.345 -0.079) 4.293 9.562 ( 4.077 1.345 -0.079) 4.293 9.938 ( -10.942 -1.603 1.023) 11.106 9.938 ( -10.942 1.603 1.023) 11.106 10.073 ( -5.360 -0.523 -1.464) 5.581 10.073 ( -5.360 0.523 -1.464) 5.581 11.539 ( 0.346 -0.170 -0.317) 0.499 11.539 ( 0.346 0.170 -0.317) 0.499 11.565 ( 0.050 -0.303 0.227) 0.381 11.565 ( 0.050 0.303 0.227) 0.381 11.999 ( 0.391 -0.698 0.388) 0.889 11.999 ( 0.391 0.698 0.388) 0.889 12.056 ( 0.007 -0.891 -0.153) 0.904 12.056 ( 0.007 0.891 -0.153) 0.904 12.513 ( -2.216 -0.465 2.512) 3.382 12.513 ( -2.216 0.465 2.512) 3.382 12.600 ( 0.378 -0.563 -1.607) 1.744 12.600 ( 0.378 0.563 -1.607) 1.744 12.711 ( -0.493 -2.204 1.340) 2.626 12.711 ( -0.493 2.204 1.340) 2.626 12.799 ( 0.720 -0.738 0.987) 1.427 12.799 ( 0.720 0.738 0.987) 1.427 12.971 ( -0.243 -1.270 -1.018) 1.646 12.971 ( -0.243 1.270 -1.018) 1.646 13.172 ( -5.170 -1.527 1.637) 5.633 13.172 ( -5.170 1.527 1.637) 5.633 13.710 ( 3.331 -1.584 -3.545) 5.116 13.710 ( 3.331 1.584 -3.546) 5.116 13.750 ( 2.105 -1.095 -0.928) 2.548 13.750 ( 2.105 1.095 -0.928) 2.548 14.259 ( 2.697 -0.625 -1.220) 3.025 14.259 ( 2.697 0.625 -1.220) 3.025 14.366 ( 3.455 -1.559 -2.133) 4.349 14.366 ( 3.455 1.559 -2.133) 4.349 14.451 ( -1.297 -0.395 1.690) 2.167 14.451 ( -1.297 0.395 1.690) 2.167 14.903 ( -0.372 -0.941 1.277) 1.630 14.903 ( -0.372 0.941 1.277) 1.630 17.481 ( -0.290 -0.321 -0.371) 0.570 17.481 ( -0.290 0.321 -0.371) 0.570 17.741 ( 1.678 -0.219 -0.747) 1.850 17.741 ( 1.678 0.219 -0.747) 1.850 17.884 ( -3.768 -0.535 0.551) 3.846 17.884 ( -3.768 0.535 0.551) 3.846 17.961 ( -5.576 -0.981 2.790) 6.312 17.961 ( -5.576 0.981 2.791) 6.312 18.441 ( 1.149 -0.405 -1.647) 2.048 18.441 ( 1.149 0.405 -1.647) 2.048 18.623 ( -1.752 -0.670 0.594) 1.967 18.623 ( -1.752 0.670 0.594) 1.967 18.858 ( 6.271 -0.503 -1.268) 6.417 18.858 ( 6.271 0.503 -1.268) 6.417 18.932 ( 2.491 -0.947 1.747) 3.186 18.932 ( 2.491 0.947 1.747) 3.186 19.669 ( -0.027 -0.202 0.053) 0.211 19.669 ( -0.027 0.202 0.053) 0.211 19.833 ( 0.111 -0.017 -0.002) 0.113 19.833 ( 0.111 0.017 -0.002) 0.113 19.942 ( -0.240 -0.039 -0.076) 0.255 19.942 ( -0.240 0.039 -0.076) 0.255 20.305 ( 0.533 -0.087 0.209) 0.579 20.305 ( 0.533 0.087 0.209) 0.579 20.584 ( -0.150 -0.026 -0.038) 0.156 20.584 ( -0.150 0.026 -0.038) 0.156 20.708 ( 0.052 -0.072 0.110) 0.141 20.708 ( 0.052 0.072 0.110) 0.141 20.904 ( 0.067 -0.176 -0.133) 0.231 20.904 ( 0.067 0.176 -0.133) 0.231 21.122 ( 0.181 -0.147 0.058) 0.240 21.122 ( 0.181 0.147 0.058) 0.240 24.574 ( -0.988 -0.177 -0.266) 1.038 24.574 ( -0.988 0.177 -0.266) 1.038 24.609 ( -2.166 -0.338 -0.092) 2.194 24.609 ( -2.166 0.338 -0.092) 2.194 25.005 ( 1.899 -0.447 0.226) 1.964 25.005 ( 1.899 0.447 0.226) 1.964 25.115 ( 0.343 -0.463 -0.177) 0.603 25.115 ( 0.343 0.463 -0.177) 0.603 28.460 ( 0.875 -0.173 -0.428) 0.990 28.460 ( 0.875 0.173 -0.428) 0.990 28.489 ( 1.104 -1.021 0.357) 1.546 28.489 ( 1.104 1.021 0.357) 1.546 28.567 ( -1.469 -1.097 -0.105) 1.836 28.567 ( -1.469 1.097 -0.105) 1.836 28.602 ( -0.484 -0.646 0.192) 0.829 28.602 ( -0.484 0.646 0.192) 0.829 35.453 ( 0.279 -0.371 -0.993) 1.097 35.453 ( 0.279 0.371 -0.993) 1.097 35.487 ( 0.826 -0.237 1.700) 1.905 35.487 ( 0.826 0.237 1.700) 1.905 36.384 ( 0.126 -0.398 0.377) 0.563 36.384 ( 0.126 0.398 0.377) 0.563 36.742 ( -0.223 -0.369 -1.678) 1.733 36.742 ( -0.223 0.369 -1.678) 1.733 37.718 ( 0.589 -0.739 1.675) 1.923 37.718 ( 0.589 0.739 1.675) 1.923 37.847 ( 1.190 -0.088 -0.741) 1.405 37.847 ( 1.190 0.088 -0.741) 1.405 38.099 ( -2.405 -1.889 -0.647) 3.126 38.099 ( -2.405 1.889 -0.647) 3.126 38.267 ( 1.142 -2.234 0.352) 2.534 38.267 ( 1.142 2.234 0.352) 2.534 38.762 ( 0.570 -0.729 0.582) 1.093 38.762 ( 0.570 0.729 0.582) 1.093 39.072 ( 2.882 -1.583 -0.909) 3.412 39.072 ( 2.882 1.583 -0.909) 3.412 39.335 ( -4.610 -0.603 -0.028) 4.649 39.335 ( -4.610 0.603 -0.028) 4.649 39.430 ( -1.360 -1.673 -1.205) 2.470 39.430 ( -1.360 1.673 -1.205) 2.470 39.869 ( -0.899 -1.799 -1.267) 2.377 39.869 ( -0.899 1.799 -1.267) 2.377 40.188 ( 6.219 -5.371 5.056) 9.648 40.188 ( 6.219 5.371 5.056) 9.648 40.628 ( -3.531 -0.873 -0.754) 3.714 40.628 ( -3.531 0.873 -0.754) 3.714 40.985 ( 0.018 -2.098 -1.785) 2.755 40.985 ( 0.018 2.098 -1.785) 2.755 ======================= Grid point 123 (66/66) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 0.000 -0.000) 0.000 1.426 ( 0.000 0.000 -0.000) 0.000 1.723 ( -0.000 0.000 -0.000) 0.000 1.723 ( 0.000 0.000 -0.000) 0.000 1.773 ( -0.000 -0.000 -0.000) 0.000 1.773 ( 0.000 0.000 -0.000) 0.000 1.864 ( 0.000 0.000 -0.000) 0.000 1.864 ( 0.000 0.000 -0.000) 0.000 1.984 ( 0.000 0.000 -0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.055 ( -0.000 0.000 -0.000) 0.000 2.055 ( 0.000 0.000 -0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.408 ( 0.000 0.000 -0.000) 0.000 2.408 ( -0.000 0.000 -0.000) 0.000 2.753 ( 0.000 0.000 -0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 -0.000 -0.000) 0.000 2.829 ( -0.000 0.000 -0.000) 0.000 2.902 ( 0.000 -0.000 -0.000) 0.000 2.902 ( 0.000 0.000 -0.000) 0.000 3.074 ( 0.000 0.000 -0.000) 0.000 3.074 ( 0.000 0.000 -0.000) 0.000 3.792 ( 0.000 0.000 -0.000) 0.000 3.792 ( -0.000 0.000 -0.000) 0.000 3.968 ( 0.000 -0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.992 ( -0.000 -0.000 -0.000) 0.000 3.992 ( -0.000 0.000 -0.000) 0.000 4.363 ( 0.000 0.000 -0.000) 0.000 4.363 ( 0.000 0.000 -0.000) 0.000 4.551 ( -0.000 0.000 -0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.555 ( -0.000 -0.000 -0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.906 ( -0.000 0.000 -0.000) 0.000 4.906 ( 0.000 0.000 -0.000) 0.000 4.941 ( -0.000 0.000 -0.000) 0.000 4.941 ( 0.000 0.000 -0.000) 0.000 5.185 ( -0.000 0.000 -0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.349 ( -0.000 -0.000 -0.000) 0.000 5.349 ( -0.000 -0.000 0.000) 0.000 5.371 ( -0.000 0.000 -0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 -0.000 -0.000) 0.000 5.500 ( 0.000 0.000 -0.000) 0.000 5.602 ( 0.000 0.000 -0.000) 0.000 5.602 ( 0.000 0.000 -0.000) 0.000 5.891 ( -0.000 -0.000 -0.000) 0.000 5.891 ( -0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 -0.000) 0.000 5.993 ( 0.000 0.000 -0.000) 0.000 6.113 ( 0.000 0.000 -0.000) 0.000 6.113 ( -0.000 0.000 0.000) 0.000 6.361 ( -0.000 0.000 -0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.383 ( -0.000 0.000 -0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 -0.000) 0.000 6.529 ( 0.000 0.000 -0.000) 0.000 6.672 ( -0.000 0.000 -0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 -0.000) 0.000 6.833 ( 0.000 0.000 -0.000) 0.000 7.062 ( 0.000 0.000 -0.000) 0.000 7.062 ( 0.000 0.000 -0.000) 0.000 7.302 ( 0.000 0.000 -0.000) 0.000 7.302 ( -0.000 0.000 0.000) 0.000 7.400 ( -0.000 0.000 -0.000) 0.000 7.400 ( 0.000 0.000 -0.000) 0.000 7.496 ( -0.000 0.000 -0.000) 0.000 7.496 ( 0.000 0.000 -0.000) 0.000 7.708 ( -0.000 0.000 -0.000) 0.000 7.708 ( 0.000 0.000 -0.000) 0.000 7.842 ( -0.000 0.000 -0.000) 0.000 7.842 ( -0.000 0.000 -0.000) 0.000 8.079 ( 0.000 0.000 -0.000) 0.000 8.079 ( 0.000 0.000 -0.000) 0.000 8.248 ( 0.000 0.000 -0.000) 0.000 8.248 ( 0.000 0.000 -0.000) 0.000 8.360 ( -0.000 0.000 -0.000) 0.000 8.360 ( -0.000 0.000 -0.000) 0.000 8.684 ( 0.000 -0.000 -0.000) 0.000 8.684 ( 0.000 0.000 -0.000) 0.000 8.753 ( 0.000 0.000 -0.000) 0.000 8.753 ( -0.000 0.000 0.000) 0.000 8.989 ( 0.000 -0.000 -0.000) 0.000 8.989 ( -0.000 -0.000 0.000) 0.000 9.042 ( -0.000 0.000 -0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.055 ( -0.000 -0.000 -0.000) 0.000 9.055 ( -0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 -0.000) 0.000 9.179 ( 0.000 0.000 -0.000) 0.000 9.557 ( 0.000 -0.000 -0.000) 0.000 9.557 ( -0.000 0.000 -0.000) 0.000 9.617 ( -0.000 0.000 -0.000) 0.000 9.617 ( 0.000 0.000 -0.000) 0.000 9.788 ( -0.000 0.000 -0.000) 0.000 9.788 ( 0.000 0.000 -0.000) 0.000 9.985 ( -0.000 0.000 -0.000) 0.000 9.985 ( 0.000 0.000 -0.000) 0.000 11.542 ( 0.000 0.000 -0.000) 0.000 11.542 ( -0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 -0.000) 0.000 11.566 ( 0.000 0.000 -0.000) 0.000 12.007 ( -0.000 0.000 -0.000) 0.000 12.007 ( -0.000 0.000 -0.000) 0.000 12.054 ( 0.000 0.000 -0.000) 0.000 12.054 ( 0.000 0.000 -0.000) 0.000 12.496 ( 0.000 0.000 -0.000) 0.000 12.496 ( -0.000 0.000 -0.000) 0.000 12.594 ( -0.000 0.000 -0.000) 0.000 12.594 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 -0.000) 0.000 12.722 ( 0.000 0.000 -0.000) 0.000 12.793 ( -0.000 0.000 -0.000) 0.000 12.793 ( 0.000 0.000 -0.000) 0.000 13.007 ( 0.000 0.000 -0.000) 0.000 13.007 ( 0.000 0.000 -0.000) 0.000 13.078 ( -0.000 0.000 0.000) 0.000 13.078 ( -0.000 0.000 -0.000) 0.000 13.756 ( -0.000 -0.000 -0.000) 0.001 13.756 ( -0.000 0.000 0.000) 0.000 13.757 ( 0.000 -0.000 0.000) 0.000 13.757 ( 0.000 0.000 0.000) 0.001 14.317 ( 0.000 0.000 -0.000) 0.000 14.317 ( -0.000 0.000 0.000) 0.000 14.360 ( 0.000 0.000 -0.000) 0.000 14.360 ( 0.000 0.000 -0.000) 0.000 14.457 ( -0.000 0.000 -0.000) 0.000 14.457 ( 0.000 0.000 -0.000) 0.000 14.901 ( 0.000 0.000 -0.000) 0.000 14.901 ( -0.000 0.000 -0.000) 0.000 17.476 ( 0.000 0.000 -0.000) 0.000 17.476 ( -0.000 0.000 -0.000) 0.000 17.777 ( 0.000 0.000 -0.000) 0.000 17.777 ( 0.000 0.000 -0.000) 0.000 17.857 ( 0.000 0.000 -0.000) 0.000 17.857 ( -0.000 0.000 0.000) 0.000 17.865 ( 0.000 -0.000 -0.000) 0.000 17.865 ( -0.000 -0.000 0.000) 0.000 18.452 ( 0.000 0.000 -0.000) 0.000 18.452 ( -0.000 0.000 -0.000) 0.000 18.612 ( 0.000 0.000 -0.000) 0.000 18.612 ( 0.000 0.000 -0.000) 0.000 18.928 ( -0.000 0.000 -0.000) 0.000 18.928 ( -0.000 0.000 -0.000) 0.000 18.962 ( 0.000 0.000 -0.000) 0.000 18.962 ( 0.000 0.000 -0.000) 0.000 19.669 ( 0.000 0.000 -0.000) 0.000 19.669 ( 0.000 0.000 -0.000) 0.000 19.835 ( 0.000 0.000 -0.000) 0.000 19.835 ( 0.000 0.000 -0.000) 0.000 19.938 ( 0.000 0.000 -0.000) 0.000 19.938 ( 0.000 0.000 -0.000) 0.000 20.312 ( 0.000 0.000 -0.000) 0.000 20.312 ( 0.000 0.000 -0.000) 0.000 20.582 ( 0.000 0.000 -0.000) 0.000 20.582 ( 0.000 0.000 -0.000) 0.000 20.709 ( 0.000 0.000 -0.000) 0.000 20.709 ( 0.000 0.000 -0.000) 0.000 20.905 ( 0.000 0.000 -0.000) 0.000 20.905 ( 0.000 0.000 -0.000) 0.000 21.124 ( 0.000 0.000 -0.000) 0.000 21.124 ( 0.000 0.000 -0.000) 0.000 24.571 ( -0.000 0.000 -0.000) 0.000 24.571 ( 0.000 0.000 -0.000) 0.000 24.572 ( -0.000 0.000 0.000) 0.000 24.572 ( 0.000 -0.000 0.000) 0.000 25.031 ( 0.000 0.000 -0.000) 0.000 25.031 ( 0.000 0.000 -0.000) 0.000 25.117 ( 0.000 0.000 -0.000) 0.000 25.117 ( 0.000 0.000 -0.000) 0.000 28.471 ( 0.000 0.000 -0.000) 0.000 28.471 ( 0.000 0.000 -0.000) 0.000 28.509 ( -0.000 0.000 -0.000) 0.000 28.509 ( 0.000 0.000 -0.000) 0.000 28.542 ( -0.000 0.000 -0.000) 0.000 28.542 ( 0.000 0.000 -0.000) 0.000 28.595 ( 0.000 0.000 -0.000) 0.000 28.595 ( -0.000 0.000 -0.000) 0.000 35.455 ( 0.000 0.000 -0.000) 0.000 35.455 ( -0.000 0.000 0.000) 0.000 35.500 ( 0.000 0.000 -0.000) 0.000 35.500 ( 0.000 0.000 0.000) 0.000 36.386 ( 0.000 0.000 -0.000) 0.000 36.386 ( 0.000 0.000 -0.000) 0.000 36.734 ( 0.000 0.000 -0.000) 0.000 36.734 ( 0.000 0.000 -0.000) 0.000 37.731 ( 0.000 0.000 -0.000) 0.000 37.731 ( 0.000 0.000 0.000) 0.000 37.859 ( 0.000 0.000 -0.000) 0.000 37.859 ( 0.000 0.000 0.000) 0.000 38.068 ( 0.000 0.000 -0.000) 0.000 38.068 ( 0.000 -0.000 -0.000) 0.000 38.282 ( -0.000 0.000 -0.000) 0.000 38.282 ( -0.000 0.000 -0.000) 0.000 38.770 ( 0.000 0.000 -0.000) 0.000 38.770 ( 0.000 0.000 -0.000) 0.000 39.118 ( -0.000 0.000 -0.000) 0.000 39.118 ( -0.000 0.000 -0.000) 0.000 39.269 ( 0.000 0.000 -0.000) 0.000 39.269 ( 0.000 0.000 -0.000) 0.000 39.404 ( -0.000 0.000 -0.000) 0.000 39.404 ( 0.000 0.000 -0.000) 0.000 39.867 ( 0.000 0.000 -0.000) 0.000 39.867 ( -0.000 0.000 -0.000) 0.000 40.276 ( -0.000 0.000 -0.000) 0.000 40.276 ( 0.000 0.000 -0.000) 0.000 40.576 ( 0.000 0.000 -0.000) 0.000 40.576 ( 0.000 0.000 -0.000) 0.000 40.979 ( 0.000 0.000 -0.000) 0.000 40.979 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/34560 10.0 126.748 107.596 146.459 0.000 42.839 0.000 3/34560 20.0 27.926 22.761 25.142 0.000 5.076 0.000 3/34560 30.0 12.155 9.645 10.382 0.000 1.872 0.000 3/34560 40.0 6.838 5.447 5.780 0.000 0.993 0.000 3/34560 50.0 4.478 3.594 3.785 0.000 0.627 0.000 3/34560 60.0 3.239 2.616 2.747 0.000 0.441 0.000 3/34560 70.0 2.508 2.033 2.135 0.000 0.332 0.000 3/34560 80.0 2.038 1.655 1.740 0.000 0.263 0.000 3/34560 90.0 1.714 1.393 1.468 0.000 0.216 0.000 3/34560 100.0 1.480 1.203 1.270 0.000 0.183 0.000 3/34560 110.0 1.303 1.058 1.120 0.000 0.157 0.000 3/34560 120.0 1.165 0.945 1.002 0.000 0.138 0.000 3/34560 130.0 1.055 0.855 0.908 0.000 0.122 0.000 3/34560 140.0 0.964 0.780 0.831 0.000 0.110 0.000 3/34560 150.0 0.889 0.718 0.766 0.000 0.099 0.000 3/34560 160.0 0.825 0.666 0.712 0.000 0.090 0.000 3/34560 170.0 0.771 0.621 0.665 0.000 0.083 0.000 3/34560 180.0 0.723 0.582 0.624 0.000 0.076 0.000 3/34560 190.0 0.682 0.548 0.588 0.000 0.071 0.000 3/34560 200.0 0.645 0.518 0.557 0.000 0.066 0.000 3/34560 210.0 0.612 0.491 0.529 0.000 0.062 0.000 3/34560 220.0 0.583 0.467 0.504 0.000 0.058 0.000 3/34560 230.0 0.557 0.446 0.481 0.000 0.054 0.000 3/34560 240.0 0.533 0.426 0.460 0.000 0.051 0.000 3/34560 250.0 0.511 0.408 0.442 0.000 0.048 0.000 3/34560 260.0 0.491 0.392 0.424 0.000 0.046 0.000 3/34560 270.0 0.473 0.377 0.409 0.000 0.044 0.000 3/34560 280.0 0.456 0.364 0.394 0.000 0.041 0.000 3/34560 290.0 0.440 0.351 0.381 0.000 0.039 0.000 3/34560 300.0 0.426 0.339 0.368 0.000 0.038 0.000 3/34560 310.0 0.412 0.329 0.357 0.000 0.036 0.000 3/34560 320.0 0.399 0.319 0.346 0.000 0.035 0.000 3/34560 330.0 0.387 0.309 0.336 0.000 0.033 0.000 3/34560 340.0 0.376 0.300 0.326 0.000 0.032 0.000 3/34560 350.0 0.366 0.292 0.318 0.000 0.031 0.000 3/34560 360.0 0.356 0.284 0.309 0.000 0.030 0.000 3/34560 370.0 0.347 0.277 0.301 0.000 0.028 0.000 3/34560 380.0 0.338 0.270 0.294 0.000 0.028 0.000 3/34560 390.0 0.330 0.263 0.287 0.000 0.027 0.000 3/34560 400.0 0.322 0.257 0.280 0.000 0.026 0.000 3/34560 410.0 0.314 0.251 0.274 0.000 0.025 0.000 3/34560 420.0 0.307 0.246 0.268 0.000 0.024 0.000 3/34560 430.0 0.300 0.241 0.262 0.000 0.023 0.000 3/34560 440.0 0.294 0.235 0.257 0.000 0.023 0.000 3/34560 450.0 0.287 0.231 0.251 0.000 0.022 0.000 3/34560 460.0 0.281 0.226 0.246 0.000 0.021 0.000 3/34560 470.0 0.276 0.222 0.242 0.000 0.021 0.000 3/34560 480.0 0.270 0.217 0.237 0.000 0.020 0.000 3/34560 490.0 0.265 0.213 0.233 0.000 0.020 0.000 3/34560 500.0 0.260 0.209 0.229 0.000 0.019 0.000 3/34560 510.0 0.255 0.206 0.224 0.000 0.019 0.000 3/34560 520.0 0.251 0.202 0.221 0.000 0.018 0.000 3/34560 530.0 0.246 0.199 0.217 0.000 0.018 0.000 3/34560 540.0 0.242 0.195 0.213 0.000 0.018 0.000 3/34560 550.0 0.238 0.192 0.210 0.000 0.017 0.000 3/34560 560.0 0.234 0.189 0.206 0.000 0.017 0.000 3/34560 570.0 0.230 0.186 0.203 0.000 0.016 0.000 3/34560 580.0 0.226 0.183 0.200 0.000 0.016 0.000 3/34560 590.0 0.222 0.180 0.197 0.000 0.016 0.000 3/34560 600.0 0.219 0.178 0.194 0.000 0.015 0.000 3/34560 610.0 0.216 0.175 0.191 0.000 0.015 0.000 3/34560 620.0 0.212 0.173 0.188 0.000 0.015 0.000 3/34560 630.0 0.209 0.170 0.186 0.000 0.015 0.000 3/34560 640.0 0.206 0.168 0.183 0.000 0.014 0.000 3/34560 650.0 0.203 0.165 0.181 0.000 0.014 0.000 3/34560 660.0 0.200 0.163 0.178 0.000 0.014 0.000 3/34560 670.0 0.197 0.161 0.176 0.000 0.013 0.000 3/34560 680.0 0.195 0.159 0.173 0.000 0.013 0.000 3/34560 690.0 0.192 0.157 0.171 0.000 0.013 0.000 3/34560 700.0 0.189 0.155 0.169 0.000 0.013 0.000 3/34560 710.0 0.187 0.153 0.167 0.000 0.013 0.000 3/34560 720.0 0.184 0.151 0.165 0.000 0.012 0.000 3/34560 730.0 0.182 0.149 0.163 0.000 0.012 0.000 3/34560 740.0 0.180 0.147 0.161 0.000 0.012 0.000 3/34560 750.0 0.177 0.146 0.159 0.000 0.012 0.000 3/34560 760.0 0.175 0.144 0.157 0.000 0.012 0.000 3/34560 770.0 0.173 0.142 0.155 0.000 0.011 0.000 3/34560 780.0 0.171 0.140 0.153 0.000 0.011 0.000 3/34560 790.0 0.169 0.139 0.152 0.000 0.011 0.000 3/34560 800.0 0.167 0.137 0.150 0.000 0.011 0.000 3/34560 810.0 0.165 0.136 0.148 0.000 0.011 0.000 3/34560 820.0 0.163 0.134 0.147 0.000 0.011 0.000 3/34560 830.0 0.161 0.133 0.145 0.000 0.011 0.000 3/34560 840.0 0.159 0.131 0.143 0.000 0.010 0.000 3/34560 850.0 0.158 0.130 0.142 0.000 0.010 0.000 3/34560 860.0 0.156 0.129 0.140 0.000 0.010 0.000 3/34560 870.0 0.154 0.127 0.139 0.000 0.010 0.000 3/34560 880.0 0.152 0.126 0.137 0.000 0.010 0.000 3/34560 890.0 0.151 0.125 0.136 0.000 0.010 0.000 3/34560 900.0 0.149 0.123 0.135 0.000 0.010 0.000 3/34560 910.0 0.148 0.122 0.133 0.000 0.009 0.000 3/34560 920.0 0.146 0.121 0.132 0.000 0.009 0.000 3/34560 930.0 0.145 0.120 0.131 0.000 0.009 0.000 3/34560 940.0 0.143 0.119 0.129 0.000 0.009 0.000 3/34560 950.0 0.142 0.118 0.128 0.000 0.009 0.000 3/34560 960.0 0.140 0.116 0.127 0.000 0.009 0.000 3/34560 970.0 0.139 0.115 0.126 0.000 0.009 0.000 3/34560 980.0 0.138 0.114 0.125 0.000 0.009 0.000 3/34560 990.0 0.136 0.113 0.124 0.000 0.009 0.000 3/34560 1000.0 0.135 0.112 0.122 0.000 0.009 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m4410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:06:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|