----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:52:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987441550000002 Atomic positions (fractional): *1 Rb 0.15901394901041 0.51714140552029 0.61199267193134 85.468 2 Rb 0.34098605098959 0.51714140552029 0.11199267193134 85.468 *3 Rb 0.95282922622107 0.15985604296755 0.36688993590560 85.468 4 Rb 0.04717077377893 0.65985604296755 0.13311006409440 85.468 *5 Rb 0.25000000000000 0.25000000000000 0.69945119064340 85.468 6 Rb 0.75000000000000 0.75000000000000 0.80054880935660 85.468 7 Rb 0.84098605098959 0.01714140552029 0.88800732806866 85.468 8 Rb 0.25000000000000 0.25000000000000 0.19945119064340 85.468 9 Rb 0.45282922622107 0.65985604296755 0.63311006409440 85.468 10 Rb 0.65901394901041 0.48285859447971 0.88800732806866 85.468 11 Rb 0.84098605098959 0.48285859447971 0.38800732806866 85.468 12 Rb 0.54717077377893 0.34014395703245 0.36688993590560 85.468 13 Rb 0.04717077377893 0.84014395703245 0.63311006409440 85.468 14 Rb 0.95282922622107 0.34014395703245 0.86688993590560 85.468 15 Rb 0.45282922622107 0.84014395703245 0.13311006409440 85.468 16 Rb 0.34098605098959 0.98285859447971 0.61199267193134 85.468 17 Rb 0.75000000000000 0.75000000000000 0.30054880935660 85.468 18 Rb 0.54717077377893 0.15985604296755 0.86688993590560 85.468 19 Rb 0.65901394901041 0.01714140552029 0.38800732806866 85.468 20 Rb 0.15901394901041 0.98285859447971 0.11199267193134 85.468 *21 H 0.06114536956275 0.10317204990865 0.83280657116442 1.008 22 H 0.43885463043725 0.10317204990865 0.33280657116442 1.008 *23 H 0.10777204249399 0.07104800527907 0.61813292712970 1.008 24 H 0.43885463043725 0.39682795009135 0.83280657116442 1.008 25 H 0.89222795750601 0.57104800527907 0.88186707287030 1.008 26 H 0.89222795750601 0.92895199472093 0.38186707287030 1.008 27 H 0.56114536956274 0.89682795009135 0.66719342883558 1.008 28 H 0.39222795750601 0.42895199472093 0.61813292712970 1.008 *29 H 0.75000000000000 0.25000000000000 0.62975826839783 1.008 30 H 0.56114536956274 0.60317204990865 0.16719342883558 1.008 31 H 0.39222795750601 0.07104800527907 0.11813292712970 1.008 32 H 0.60777204249399 0.92895199472093 0.88186707287030 1.008 33 H 0.25000000000000 0.75000000000000 0.37024173160217 1.008 34 H 0.75000000000000 0.25000000000000 0.12975826839783 1.008 35 H 0.93885463043726 0.89682795009135 0.16719342883558 1.008 36 H 0.06114536956275 0.39682795009135 0.33280657116442 1.008 37 H 0.60777204249399 0.57104800527907 0.38186707287030 1.008 38 H 0.93885463043726 0.60317204990865 0.66719342883558 1.008 39 H 0.25000000000000 0.75000000000000 0.87024173160217 1.008 40 H 0.10777204249399 0.42895199472093 0.11813292712970 1.008 *41 O 0.44028669514243 0.04909619427546 0.23041848017679 15.999 42 O 0.05971330485757 0.04909619427546 0.73041848017679 15.999 43 O 0.55971330485757 0.54909619427546 0.26958151982321 15.999 44 O 0.55971330485757 0.95090380572454 0.76958151982321 15.999 45 O 0.94028669514243 0.95090380572454 0.26958151982321 15.999 46 O 0.05971330485757 0.45090380572454 0.23041848017679 15.999 47 O 0.44028669514243 0.45090380572454 0.73041848017679 15.999 48 O 0.94028669514243 0.54909619427546 0.76958151982321 15.999 *49 F 0.67443523084750 0.59996255685538 0.55524031180524 18.998 50 F 0.32556476915250 0.09996255685538 0.94475968819476 18.998 *51 F 0.94712561795821 0.82947989195768 0.99471799281045 18.998 52 F 0.82556476915250 0.90003744314462 0.55524031180524 18.998 *53 F 0.26112604326071 0.83434986781151 0.86945427279723 18.998 54 F 0.73887395673929 0.16565013218849 0.13054572720277 18.998 55 F 0.82556476915250 0.59996255685538 0.05524031180524 18.998 56 F 0.23887395673928 0.66565013218849 0.86945427279723 18.998 57 F 0.44712561795821 0.32947989195768 0.00528200718956 18.998 58 F 0.05287438204179 0.32947989195768 0.50528200718955 18.998 59 F 0.26112604326071 0.66565013218849 0.36945427279723 18.998 60 F 0.32556476915250 0.40003744314463 0.44475968819476 18.998 61 F 0.17443523084750 0.40003744314463 0.94475968819476 18.998 62 F 0.67443523084750 0.90003744314462 0.05524031180524 18.998 63 F 0.73887395673929 0.33434986781151 0.63054572720277 18.998 64 F 0.23887395673928 0.83434986781151 0.36945427279723 18.998 65 F 0.94712561795821 0.67052010804232 0.49471799281044 18.998 66 F 0.17443523084750 0.09996255685538 0.44475968819476 18.998 67 F 0.76112604326071 0.16565013218849 0.63054572720277 18.998 68 F 0.55287438204179 0.82947989195768 0.49471799281044 18.998 69 F 0.44712561795821 0.17052010804232 0.50528200718955 18.998 70 F 0.05287438204179 0.17052010804232 0.00528200718956 18.998 71 F 0.76112604326071 0.33434986781151 0.13054572720277 18.998 72 F 0.55287438204179 0.67052010804232 0.99471799281045 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987441550000002 Atomic positions (fractional): *1 Rb 0.15901394901041 0.51714140552029 0.61199267193134 85.468 > 1 2 Rb 0.34098605098959 0.51714140552029 0.11199267193134 85.468 > 2 *3 Rb 0.95282922622107 0.15985604296755 0.36688993590560 85.468 > 3 4 Rb 0.04717077377893 0.65985604296755 0.13311006409440 85.468 > 4 *5 Rb 0.25000000000000 0.25000000000000 0.69945119064340 85.468 > 5 6 Rb 0.75000000000000 0.75000000000000 0.80054880935660 85.468 > 6 7 Rb 0.84098605098959 0.01714140552029 0.88800732806866 85.468 > 7 8 Rb 0.25000000000000 0.25000000000000 0.19945119064340 85.468 > 8 9 Rb 0.45282922622107 0.65985604296755 0.63311006409440 85.468 > 9 10 Rb 0.65901394901041 0.48285859447971 0.88800732806866 85.468 > 10 11 Rb 0.84098605098959 0.48285859447971 0.38800732806866 85.468 > 11 12 Rb 0.54717077377893 0.34014395703245 0.36688993590560 85.468 > 12 13 Rb 0.04717077377893 0.84014395703245 0.63311006409440 85.468 > 13 14 Rb 0.95282922622107 0.34014395703245 0.86688993590560 85.468 > 14 15 Rb 0.45282922622107 0.84014395703245 0.13311006409440 85.468 > 15 16 Rb 0.34098605098959 0.98285859447971 0.61199267193134 85.468 > 16 17 Rb 0.75000000000000 0.75000000000000 0.30054880935660 85.468 > 17 18 Rb 0.54717077377893 0.15985604296755 0.86688993590560 85.468 > 18 19 Rb 0.65901394901041 0.01714140552029 0.38800732806866 85.468 > 19 20 Rb 0.15901394901041 0.98285859447971 0.11199267193134 85.468 > 20 *21 H 0.06114536956275 0.10317204990865 0.83280657116442 1.008 > 21 22 H 0.43885463043725 0.10317204990865 0.33280657116442 1.008 > 22 *23 H 0.10777204249399 0.07104800527907 0.61813292712970 1.008 > 23 24 H 0.43885463043725 0.39682795009135 0.83280657116442 1.008 > 24 25 H 0.89222795750601 0.57104800527907 0.88186707287030 1.008 > 25 26 H 0.89222795750601 0.92895199472093 0.38186707287030 1.008 > 26 27 H 0.56114536956274 0.89682795009135 0.66719342883558 1.008 > 27 28 H 0.39222795750601 0.42895199472093 0.61813292712970 1.008 > 28 *29 H 0.75000000000000 0.25000000000000 0.62975826839783 1.008 > 29 30 H 0.56114536956274 0.60317204990865 0.16719342883558 1.008 > 30 31 H 0.39222795750601 0.07104800527907 0.11813292712970 1.008 > 31 32 H 0.60777204249399 0.92895199472093 0.88186707287030 1.008 > 32 33 H 0.25000000000000 0.75000000000000 0.37024173160217 1.008 > 33 34 H 0.75000000000000 0.25000000000000 0.12975826839783 1.008 > 34 35 H 0.93885463043726 0.89682795009135 0.16719342883558 1.008 > 35 36 H 0.06114536956275 0.39682795009135 0.33280657116442 1.008 > 36 37 H 0.60777204249399 0.57104800527907 0.38186707287030 1.008 > 37 38 H 0.93885463043726 0.60317204990865 0.66719342883558 1.008 > 38 39 H 0.25000000000000 0.75000000000000 0.87024173160217 1.008 > 39 40 H 0.10777204249399 0.42895199472093 0.11813292712970 1.008 > 40 *41 O 0.44028669514243 0.04909619427546 0.23041848017679 15.999 > 41 42 O 0.05971330485757 0.04909619427546 0.73041848017679 15.999 > 42 43 O 0.55971330485757 0.54909619427546 0.26958151982321 15.999 > 43 44 O 0.55971330485757 0.95090380572454 0.76958151982321 15.999 > 44 45 O 0.94028669514243 0.95090380572454 0.26958151982321 15.999 > 45 46 O 0.05971330485757 0.45090380572454 0.23041848017679 15.999 > 46 47 O 0.44028669514243 0.45090380572454 0.73041848017679 15.999 > 47 48 O 0.94028669514243 0.54909619427546 0.76958151982321 15.999 > 48 *49 F 0.67443523084750 0.59996255685538 0.55524031180524 18.998 > 49 50 F 0.32556476915250 0.09996255685538 0.94475968819476 18.998 > 50 *51 F 0.94712561795821 0.82947989195768 0.99471799281045 18.998 > 51 52 F 0.82556476915250 0.90003744314462 0.55524031180524 18.998 > 52 *53 F 0.26112604326071 0.83434986781151 0.86945427279723 18.998 > 53 54 F 0.73887395673929 0.16565013218849 0.13054572720277 18.998 > 54 55 F 0.82556476915250 0.59996255685538 0.05524031180524 18.998 > 55 56 F 0.23887395673928 0.66565013218849 0.86945427279723 18.998 > 56 57 F 0.44712561795821 0.32947989195768 0.00528200718956 18.998 > 57 58 F 0.05287438204179 0.32947989195768 0.50528200718955 18.998 > 58 59 F 0.26112604326071 0.66565013218849 0.36945427279723 18.998 > 59 60 F 0.32556476915250 0.40003744314463 0.44475968819476 18.998 > 60 61 F 0.17443523084750 0.40003744314463 0.94475968819476 18.998 > 61 62 F 0.67443523084750 0.90003744314462 0.05524031180524 18.998 > 62 63 F 0.73887395673929 0.33434986781151 0.63054572720277 18.998 > 63 64 F 0.23887395673928 0.83434986781151 0.36945427279723 18.998 > 64 65 F 0.94712561795821 0.67052010804232 0.49471799281044 18.998 > 65 66 F 0.17443523084750 0.09996255685538 0.44475968819476 18.998 > 66 67 F 0.76112604326071 0.16565013218849 0.63054572720277 18.998 > 67 68 F 0.55287438204179 0.82947989195768 0.49471799281044 18.998 > 68 69 F 0.44712561795821 0.17052010804232 0.50528200718955 18.998 > 69 70 F 0.05287438204179 0.17052010804232 0.00528200718956 18.998 > 70 71 F 0.76112604326071 0.33434986781151 0.13054572720277 18.998 > 71 72 F 0.55287438204179 0.67052010804232 0.99471799281045 18.998 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.974883100000005 Atomic positions (fractional): *1 Rb 0.15901394901041 0.51714140552029 0.30599633596567 85.468 > 1 2 Rb 0.15901394901041 0.51714140552029 0.80599633596567 85.468 > 1 3 Rb 0.34098605098959 0.51714140552029 0.05599633596567 85.468 > 2 4 Rb 0.34098605098959 0.51714140552029 0.55599633596567 85.468 > 2 *5 Rb 0.95282922622107 0.15985604296755 0.18344496795280 85.468 > 3 6 Rb 0.95282922622107 0.15985604296755 0.68344496795280 85.468 > 3 7 Rb 0.04717077377893 0.65985604296755 0.06655503204720 85.468 > 4 8 Rb 0.04717077377893 0.65985604296755 0.56655503204720 85.468 > 4 *9 Rb 0.25000000000000 0.25000000000000 0.34972559532170 85.468 > 5 10 Rb 0.25000000000000 0.25000000000000 0.84972559532170 85.468 > 5 11 Rb 0.75000000000000 0.75000000000000 0.40027440467830 85.468 > 6 12 Rb 0.75000000000000 0.75000000000000 0.90027440467830 85.468 > 6 13 Rb 0.84098605098959 0.01714140552029 0.44400366403433 85.468 > 7 14 Rb 0.84098605098959 0.01714140552029 0.94400366403433 85.468 > 7 15 Rb 0.25000000000000 0.25000000000000 0.09972559532170 85.468 > 8 16 Rb 0.25000000000000 0.25000000000000 0.59972559532170 85.468 > 8 17 Rb 0.45282922622107 0.65985604296755 0.31655503204720 85.468 > 9 18 Rb 0.45282922622107 0.65985604296755 0.81655503204720 85.468 > 9 19 Rb 0.65901394901041 0.48285859447971 0.44400366403433 85.468 > 10 20 Rb 0.65901394901041 0.48285859447971 0.94400366403433 85.468 > 10 21 Rb 0.84098605098959 0.48285859447971 0.19400366403433 85.468 > 11 22 Rb 0.84098605098959 0.48285859447971 0.69400366403433 85.468 > 11 23 Rb 0.54717077377893 0.34014395703245 0.18344496795280 85.468 > 12 24 Rb 0.54717077377893 0.34014395703245 0.68344496795280 85.468 > 12 25 Rb 0.04717077377893 0.84014395703245 0.31655503204720 85.468 > 13 26 Rb 0.04717077377893 0.84014395703245 0.81655503204720 85.468 > 13 27 Rb 0.95282922622107 0.34014395703245 0.43344496795280 85.468 > 14 28 Rb 0.95282922622107 0.34014395703245 0.93344496795280 85.468 > 14 29 Rb 0.45282922622107 0.84014395703245 0.06655503204720 85.468 > 15 30 Rb 0.45282922622107 0.84014395703245 0.56655503204720 85.468 > 15 31 Rb 0.34098605098959 0.98285859447971 0.30599633596567 85.468 > 16 32 Rb 0.34098605098959 0.98285859447971 0.80599633596567 85.468 > 16 33 Rb 0.75000000000000 0.75000000000000 0.15027440467830 85.468 > 17 34 Rb 0.75000000000000 0.75000000000000 0.65027440467830 85.468 > 17 35 Rb 0.54717077377893 0.15985604296755 0.43344496795280 85.468 > 18 36 Rb 0.54717077377893 0.15985604296755 0.93344496795280 85.468 > 18 37 Rb 0.65901394901041 0.01714140552029 0.19400366403433 85.468 > 19 38 Rb 0.65901394901041 0.01714140552029 0.69400366403433 85.468 > 19 39 Rb 0.15901394901041 0.98285859447971 0.05599633596567 85.468 > 20 40 Rb 0.15901394901041 0.98285859447971 0.55599633596567 85.468 > 20 *41 H 0.06114536956275 0.10317204990865 0.41640328558221 1.008 > 21 42 H 0.06114536956275 0.10317204990865 0.91640328558221 1.008 > 21 43 H 0.43885463043725 0.10317204990865 0.16640328558221 1.008 > 22 44 H 0.43885463043725 0.10317204990865 0.66640328558221 1.008 > 22 *45 H 0.10777204249399 0.07104800527907 0.30906646356485 1.008 > 23 46 H 0.10777204249399 0.07104800527907 0.80906646356485 1.008 > 23 47 H 0.43885463043725 0.39682795009135 0.41640328558221 1.008 > 24 48 H 0.43885463043725 0.39682795009135 0.91640328558221 1.008 > 24 49 H 0.89222795750601 0.57104800527907 0.44093353643515 1.008 > 25 50 H 0.89222795750601 0.57104800527907 0.94093353643515 1.008 > 25 51 H 0.89222795750601 0.92895199472093 0.19093353643515 1.008 > 26 52 H 0.89222795750601 0.92895199472093 0.69093353643515 1.008 > 26 53 H 0.56114536956274 0.89682795009135 0.33359671441779 1.008 > 27 54 H 0.56114536956274 0.89682795009135 0.83359671441779 1.008 > 27 55 H 0.39222795750601 0.42895199472093 0.30906646356485 1.008 > 28 56 H 0.39222795750601 0.42895199472093 0.80906646356485 1.008 > 28 *57 H 0.75000000000000 0.25000000000000 0.31487913419891 1.008 > 29 58 H 0.75000000000000 0.25000000000000 0.81487913419891 1.008 > 29 59 H 0.56114536956274 0.60317204990865 0.08359671441779 1.008 > 30 60 H 0.56114536956274 0.60317204990865 0.58359671441779 1.008 > 30 61 H 0.39222795750601 0.07104800527907 0.05906646356485 1.008 > 31 62 H 0.39222795750601 0.07104800527907 0.55906646356485 1.008 > 31 63 H 0.60777204249399 0.92895199472093 0.44093353643515 1.008 > 32 64 H 0.60777204249399 0.92895199472093 0.94093353643515 1.008 > 32 65 H 0.25000000000000 0.75000000000000 0.18512086580109 1.008 > 33 66 H 0.25000000000000 0.75000000000000 0.68512086580109 1.008 > 33 67 H 0.75000000000000 0.25000000000000 0.06487913419891 1.008 > 34 68 H 0.75000000000000 0.25000000000000 0.56487913419891 1.008 > 34 69 H 0.93885463043726 0.89682795009135 0.08359671441779 1.008 > 35 70 H 0.93885463043726 0.89682795009135 0.58359671441779 1.008 > 35 71 H 0.06114536956275 0.39682795009135 0.16640328558221 1.008 > 36 72 H 0.06114536956275 0.39682795009135 0.66640328558221 1.008 > 36 73 H 0.60777204249399 0.57104800527907 0.19093353643515 1.008 > 37 74 H 0.60777204249399 0.57104800527907 0.69093353643515 1.008 > 37 75 H 0.93885463043726 0.60317204990865 0.33359671441779 1.008 > 38 76 H 0.93885463043726 0.60317204990865 0.83359671441779 1.008 > 38 77 H 0.25000000000000 0.75000000000000 0.43512086580109 1.008 > 39 78 H 0.25000000000000 0.75000000000000 0.93512086580109 1.008 > 39 79 H 0.10777204249399 0.42895199472093 0.05906646356485 1.008 > 40 80 H 0.10777204249399 0.42895199472093 0.55906646356485 1.008 > 40 *81 O 0.44028669514243 0.04909619427546 0.11520924008839 15.999 > 41 82 O 0.44028669514243 0.04909619427546 0.61520924008839 15.999 > 41 83 O 0.05971330485757 0.04909619427546 0.36520924008839 15.999 > 42 84 O 0.05971330485757 0.04909619427546 0.86520924008839 15.999 > 42 85 O 0.55971330485757 0.54909619427546 0.13479075991161 15.999 > 43 86 O 0.55971330485757 0.54909619427546 0.63479075991161 15.999 > 43 87 O 0.55971330485757 0.95090380572454 0.38479075991161 15.999 > 44 88 O 0.55971330485757 0.95090380572454 0.88479075991161 15.999 > 44 89 O 0.94028669514243 0.95090380572454 0.13479075991161 15.999 > 45 90 O 0.94028669514243 0.95090380572454 0.63479075991161 15.999 > 45 91 O 0.05971330485757 0.45090380572454 0.11520924008839 15.999 > 46 92 O 0.05971330485757 0.45090380572454 0.61520924008839 15.999 > 46 93 O 0.44028669514243 0.45090380572454 0.36520924008839 15.999 > 47 94 O 0.44028669514243 0.45090380572454 0.86520924008839 15.999 > 47 95 O 0.94028669514243 0.54909619427546 0.38479075991161 15.999 > 48 96 O 0.94028669514243 0.54909619427546 0.88479075991161 15.999 > 48 *97 F 0.67443523084750 0.59996255685538 0.27762015590262 18.998 > 49 98 F 0.67443523084750 0.59996255685538 0.77762015590262 18.998 > 49 99 F 0.32556476915250 0.09996255685538 0.47237984409738 18.998 > 50 100 F 0.32556476915250 0.09996255685538 0.97237984409738 18.998 > 50 *101 F 0.94712561795821 0.82947989195768 0.49735899640522 18.998 > 51 102 F 0.94712561795821 0.82947989195768 0.99735899640522 18.998 > 51 103 F 0.82556476915250 0.90003744314462 0.27762015590262 18.998 > 52 104 F 0.82556476915250 0.90003744314462 0.77762015590262 18.998 > 52 *105 F 0.26112604326071 0.83434986781151 0.43472713639862 18.998 > 53 106 F 0.26112604326071 0.83434986781151 0.93472713639862 18.998 > 53 107 F 0.73887395673929 0.16565013218849 0.06527286360138 18.998 > 54 108 F 0.73887395673929 0.16565013218849 0.56527286360138 18.998 > 54 109 F 0.82556476915250 0.59996255685538 0.02762015590262 18.998 > 55 110 F 0.82556476915250 0.59996255685538 0.52762015590262 18.998 > 55 111 F 0.23887395673928 0.66565013218849 0.43472713639862 18.998 > 56 112 F 0.23887395673928 0.66565013218849 0.93472713639862 18.998 > 56 113 F 0.44712561795821 0.32947989195768 0.00264100359478 18.998 > 57 114 F 0.44712561795821 0.32947989195768 0.50264100359478 18.998 > 57 115 F 0.05287438204179 0.32947989195768 0.25264100359478 18.998 > 58 116 F 0.05287438204179 0.32947989195768 0.75264100359478 18.998 > 58 117 F 0.26112604326071 0.66565013218849 0.18472713639862 18.998 > 59 118 F 0.26112604326071 0.66565013218849 0.68472713639862 18.998 > 59 119 F 0.32556476915250 0.40003744314463 0.22237984409738 18.998 > 60 120 F 0.32556476915250 0.40003744314463 0.72237984409738 18.998 > 60 121 F 0.17443523084750 0.40003744314463 0.47237984409738 18.998 > 61 122 F 0.17443523084750 0.40003744314463 0.97237984409738 18.998 > 61 123 F 0.67443523084750 0.90003744314462 0.02762015590262 18.998 > 62 124 F 0.67443523084750 0.90003744314462 0.52762015590262 18.998 > 62 125 F 0.73887395673929 0.33434986781151 0.31527286360138 18.998 > 63 126 F 0.73887395673929 0.33434986781151 0.81527286360138 18.998 > 63 127 F 0.23887395673928 0.83434986781151 0.18472713639862 18.998 > 64 128 F 0.23887395673928 0.83434986781151 0.68472713639862 18.998 > 64 129 F 0.94712561795821 0.67052010804232 0.24735899640522 18.998 > 65 130 F 0.94712561795821 0.67052010804232 0.74735899640522 18.998 > 65 131 F 0.17443523084750 0.09996255685538 0.22237984409738 18.998 > 66 132 F 0.17443523084750 0.09996255685538 0.72237984409738 18.998 > 66 133 F 0.76112604326071 0.16565013218849 0.31527286360138 18.998 > 67 134 F 0.76112604326071 0.16565013218849 0.81527286360138 18.998 > 67 135 F 0.55287438204179 0.82947989195768 0.24735899640522 18.998 > 68 136 F 0.55287438204179 0.82947989195768 0.74735899640522 18.998 > 68 137 F 0.44712561795821 0.17052010804232 0.25264100359478 18.998 > 69 138 F 0.44712561795821 0.17052010804232 0.75264100359478 18.998 > 69 139 F 0.05287438204179 0.17052010804232 0.00264100359478 18.998 > 70 140 F 0.05287438204179 0.17052010804232 0.50264100359478 18.998 > 70 141 F 0.76112604326071 0.33434986781151 0.06527286360138 18.998 > 71 142 F 0.76112604326071 0.33434986781151 0.56527286360138 18.998 > 71 143 F 0.55287438204179 0.67052010804232 0.49735899640522 18.998 > 72 144 F 0.55287438204179 0.67052010804232 0.99735899640522 18.998 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0994493 0.0000000 0.0000000 0.0000000 2.1390840 0.0000000 0.0000000 0.0000000 2.1540210 -------------------------- Born effective charges -------------------------- 1 Rb 1.2076800 -0.0277304 -0.0438738 -0.0150860 1.2188600 0.0213974 -0.0289456 0.0148088 1.2302012 2 Rb 1.2076800 0.0277304 0.0438738 0.0150860 1.2188600 0.0213974 0.0289456 0.0148088 1.2302012 3 Rb 1.2365013 0.0483756 -0.0001635 0.0303501 1.2153750 0.0646017 0.0074966 0.0431114 1.1827189 4 Rb 1.2365013 -0.0483756 -0.0001635 -0.0303501 1.2153750 -0.0646017 0.0074966 -0.0431114 1.1827189 5 Rb 1.1419088 -0.0444316 0.0000000 -0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 6 Rb 1.1419088 0.0444316 0.0000000 0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 7 Rb 1.2076800 0.0277304 -0.0438738 0.0150860 1.2188600 -0.0213974 -0.0289456 -0.0148088 1.2302012 8 Rb 1.1419088 0.0444316 0.0000000 0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 9 Rb 1.2365013 0.0483756 0.0001635 0.0303501 1.2153750 -0.0646017 -0.0074966 -0.0431114 1.1827189 10 Rb 1.2076800 0.0277304 0.0438738 0.0150860 1.2188600 0.0213974 0.0289456 0.0148088 1.2302012 11 Rb 1.2076800 -0.0277304 -0.0438738 -0.0150860 1.2188600 0.0213974 -0.0289456 0.0148088 1.2302012 12 Rb 1.2365013 0.0483756 0.0001635 0.0303501 1.2153750 -0.0646017 -0.0074966 -0.0431114 1.1827189 13 Rb 1.2365013 0.0483756 -0.0001635 0.0303501 1.2153750 0.0646017 0.0074966 0.0431114 1.1827189 14 Rb 1.2365013 -0.0483756 -0.0001635 -0.0303501 1.2153750 -0.0646017 0.0074966 -0.0431114 1.1827189 15 Rb 1.2365013 -0.0483756 0.0001635 -0.0303501 1.2153750 0.0646017 -0.0074966 0.0431114 1.1827189 16 Rb 1.2076800 -0.0277304 0.0438738 -0.0150860 1.2188600 -0.0213974 0.0289456 -0.0148088 1.2302012 17 Rb 1.1419088 -0.0444316 0.0000000 -0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 18 Rb 1.2365013 -0.0483756 0.0001635 -0.0303501 1.2153750 0.0646017 -0.0074966 0.0431114 1.1827189 19 Rb 1.2076800 -0.0277304 0.0438738 -0.0150860 1.2188600 -0.0213974 0.0289456 -0.0148088 1.2302012 20 Rb 1.2076800 0.0277304 -0.0438738 0.0150860 1.2188600 -0.0213974 -0.0289456 -0.0148088 1.2302012 21 H 0.2818666 -0.0604610 -0.0268264 -0.0647706 0.6515023 0.5521220 -0.0311797 0.5576816 0.9991518 22 H 0.2818666 0.0604610 0.0268264 0.0647706 0.6515023 0.5521220 0.0311797 0.5576816 0.9991518 23 H 0.6116905 0.1163225 -0.4815377 0.1235094 0.2971455 -0.2486035 -0.4847165 -0.2394113 1.0555401 24 H 0.2818666 -0.0604610 0.0268264 -0.0647706 0.6515023 -0.5521220 0.0311797 -0.5576816 0.9991518 25 H 0.6116905 -0.1163225 -0.4815377 -0.1235094 0.2971455 0.2486035 -0.4847165 0.2394113 1.0555401 26 H 0.6116905 0.1163225 -0.4815377 0.1235094 0.2971455 -0.2486035 -0.4847165 -0.2394113 1.0555401 27 H 0.2818666 0.0604610 0.0268264 0.0647706 0.6515023 0.5521220 0.0311797 0.5576816 0.9991518 28 H 0.6116905 0.1163225 0.4815377 0.1235094 0.2971455 0.2486035 0.4847165 0.2394113 1.0555401 29 H 0.3775892 -0.1884301 0.0000000 -0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 30 H 0.2818666 -0.0604610 0.0268264 -0.0647706 0.6515023 -0.5521220 0.0311797 -0.5576816 0.9991518 31 H 0.6116905 -0.1163225 0.4815377 -0.1235094 0.2971455 -0.2486035 0.4847165 -0.2394113 1.0555401 32 H 0.6116905 -0.1163225 0.4815377 -0.1235094 0.2971455 -0.2486035 0.4847165 -0.2394113 1.0555401 33 H 0.3775892 -0.1884301 0.0000000 -0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 34 H 0.3775892 0.1884301 0.0000000 0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 35 H 0.2818666 -0.0604610 -0.0268264 -0.0647706 0.6515023 0.5521220 -0.0311797 0.5576816 0.9991518 36 H 0.2818666 0.0604610 -0.0268264 0.0647706 0.6515023 -0.5521220 -0.0311797 -0.5576816 0.9991518 37 H 0.6116905 0.1163225 0.4815377 0.1235094 0.2971455 0.2486035 0.4847165 0.2394113 1.0555401 38 H 0.2818666 0.0604610 -0.0268264 0.0647706 0.6515023 -0.5521220 -0.0311797 -0.5576816 0.9991518 39 H 0.3775892 0.1884301 0.0000000 0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 40 H 0.6116905 -0.1163225 -0.4815377 -0.1235094 0.2971455 0.2486035 -0.4847165 0.2394113 1.0555401 41 O -1.1026917 0.0182895 -0.2427360 0.0207944 -1.1106006 -0.1222247 -0.2312169 -0.1383468 -1.6612203 42 O -1.1026917 -0.0182895 0.2427360 -0.0207944 -1.1106006 -0.1222247 0.2312169 -0.1383468 -1.6612203 43 O -1.1026917 -0.0182895 -0.2427360 -0.0207944 -1.1106006 0.1222247 -0.2312169 0.1383468 -1.6612203 44 O -1.1026917 0.0182895 -0.2427360 0.0207944 -1.1106006 -0.1222247 -0.2312169 -0.1383468 -1.6612203 45 O -1.1026917 -0.0182895 0.2427360 -0.0207944 -1.1106006 -0.1222247 0.2312169 -0.1383468 -1.6612203 46 O -1.1026917 0.0182895 0.2427360 0.0207944 -1.1106006 0.1222247 0.2312169 0.1383468 -1.6612203 47 O -1.1026917 -0.0182895 -0.2427360 -0.0207944 -1.1106006 0.1222247 -0.2312169 0.1383468 -1.6612203 48 O -1.1026917 0.0182895 0.2427360 0.0207944 -1.1106006 0.1222247 0.2312169 0.1383468 -1.6612203 49 F -1.1695640 -0.0606593 -0.1835317 -0.0727111 -1.0460285 -0.1014151 -0.1782867 -0.0991817 -1.4347869 50 F -1.1695640 0.0606593 -0.1835317 0.0727111 -1.0460285 0.1014151 -0.1782867 0.0991817 -1.4347869 51 F -0.9778467 0.0299603 0.0181231 0.0474044 -1.2630376 -0.2127602 0.0194063 -0.2046719 -1.3750060 52 F -1.1695640 -0.0606593 0.1835317 -0.0727111 -1.0460285 0.1014151 0.1782867 0.0991817 -1.4347869 53 F -0.8473851 -0.0838937 -0.0427519 -0.0871180 -1.6325214 0.0054669 -0.0409955 0.0053354 -0.7709728 54 F -0.8473851 -0.0838937 -0.0427519 -0.0871180 -1.6325214 0.0054669 -0.0409955 0.0053354 -0.7709728 55 F -1.1695640 0.0606593 0.1835317 0.0727111 -1.0460285 -0.1014151 0.1782867 -0.0991817 -1.4347869 56 F -0.8473851 -0.0838937 0.0427519 -0.0871180 -1.6325214 -0.0054669 0.0409955 -0.0053354 -0.7709728 57 F -0.9778467 0.0299603 -0.0181231 0.0474044 -1.2630376 0.2127602 -0.0194063 0.2046719 -1.3750060 58 F -0.9778467 -0.0299603 0.0181231 -0.0474044 -1.2630376 0.2127602 0.0194063 0.2046719 -1.3750060 59 F -0.8473851 0.0838937 -0.0427519 0.0871180 -1.6325214 -0.0054669 -0.0409955 -0.0053354 -0.7709728 60 F -1.1695640 -0.0606593 -0.1835317 -0.0727111 -1.0460285 -0.1014151 -0.1782867 -0.0991817 -1.4347869 61 F -1.1695640 0.0606593 0.1835317 0.0727111 -1.0460285 -0.1014151 0.1782867 -0.0991817 -1.4347869 62 F -1.1695640 0.0606593 -0.1835317 0.0727111 -1.0460285 0.1014151 -0.1782867 0.0991817 -1.4347869 63 F -0.8473851 0.0838937 -0.0427519 0.0871180 -1.6325214 -0.0054669 -0.0409955 -0.0053354 -0.7709728 64 F -0.8473851 0.0838937 0.0427519 0.0871180 -1.6325214 0.0054669 0.0409955 0.0053354 -0.7709728 65 F -0.9778467 -0.0299603 0.0181231 -0.0474044 -1.2630376 0.2127602 0.0194063 0.2046719 -1.3750060 66 F -1.1695640 -0.0606593 0.1835317 -0.0727111 -1.0460285 0.1014151 0.1782867 0.0991817 -1.4347869 67 F -0.8473851 0.0838937 0.0427519 0.0871180 -1.6325214 0.0054669 0.0409955 0.0053354 -0.7709728 68 F -0.9778467 -0.0299603 -0.0181231 -0.0474044 -1.2630376 -0.2127602 -0.0194063 -0.2046719 -1.3750060 69 F -0.9778467 -0.0299603 -0.0181231 -0.0474044 -1.2630376 -0.2127602 -0.0194063 -0.2046719 -1.3750060 70 F -0.9778467 0.0299603 0.0181231 0.0474044 -1.2630376 -0.2127602 0.0194063 -0.2046719 -1.3750060 71 F -0.8473851 -0.0838937 0.0427519 -0.0871180 -1.6325214 -0.0054669 0.0409955 -0.0053354 -0.7709728 72 F -0.9778467 0.0299603 -0.0181231 0.0474044 -1.2630376 0.2127602 -0.0194063 0.2046719 -1.3750060 ---------------------------------------------------------------------------- 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: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1312 / 1312 (1) 298 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 268 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 200 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 200 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 200 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6002, 5920), data: False |-- (710, 700), data: False |-- (710, 10), data: (710, 20) @ (20, 10) |-- (210, 200), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 10), data: (710, 20) @ (20, 10) |-- (210, 200), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 10), data: (710, 20) @ (20, 10) |-- (210, 200), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 28), data: (1280, 44) @ (44, 28) |-- (280, 268), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (1312, 1292), data: False |-- (1312, 32), data: (1312, 52) @ (52, 32) |-- (312, 298), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.886 Solver_block: 200 / 1120 - Time: 1.675 Solver_block: 300 / 1120 - Time: 1.673 Solver_block: 400 / 1120 - Time: 1.676 Solver_block: 500 / 1120 - Time: 1.672 Solver_block: 600 / 1120 - Time: 1.675 Solver_block: 700 / 1120 - Time: 1.671 Solver_block: 800 / 1120 - Time: 1.675 Solver_block: 900 / 1120 - Time: 1.680 Solver_block: 1000 / 1120 - Time: 1.677 Solver_block: 1100 / 1120 - Time: 1.675 Solver_block: 1120 / 1120 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.699 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1312 / 1312 (1) 298 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 268 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 200 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 200 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 200 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6002, 5920), data: False |-- (710, 700), data: False |-- (710, 10), data: (710, 20) @ (20, 10) |-- (210, 200), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 10), data: (710, 20) @ (20, 10) |-- (210, 200), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 10), data: (710, 20) @ (20, 10) |-- (210, 200), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 28), data: (1280, 44) @ (44, 28) |-- (280, 268), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (1312, 1292), data: False |-- (1312, 32), data: (1312, 52) @ (52, 32) |-- (312, 298), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:53:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:53:40]------------------------- 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: Pccn (56) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987441550000002 Atomic positions (fractional): 1 Rb 0.15901394901041 0.51714140552029 0.61199267193134 85.468 2 Rb 0.34098605098959 0.51714140552029 0.11199267193134 85.468 3 Rb 0.95282922622107 0.15985604296755 0.36688993590560 85.468 4 Rb 0.04717077377893 0.65985604296755 0.13311006409440 85.468 5 Rb 0.25000000000000 0.25000000000000 0.69945119064340 85.468 6 Rb 0.75000000000000 0.75000000000000 0.80054880935660 85.468 7 Rb 0.84098605098959 0.01714140552029 0.88800732806866 85.468 8 Rb 0.25000000000000 0.25000000000000 0.19945119064340 85.468 9 Rb 0.45282922622107 0.65985604296755 0.63311006409440 85.468 10 Rb 0.65901394901041 0.48285859447971 0.88800732806866 85.468 11 Rb 0.84098605098959 0.48285859447971 0.38800732806866 85.468 12 Rb 0.54717077377893 0.34014395703245 0.36688993590560 85.468 13 Rb 0.04717077377893 0.84014395703245 0.63311006409440 85.468 14 Rb 0.95282922622107 0.34014395703245 0.86688993590560 85.468 15 Rb 0.45282922622107 0.84014395703245 0.13311006409440 85.468 16 Rb 0.34098605098959 0.98285859447971 0.61199267193134 85.468 17 Rb 0.75000000000000 0.75000000000000 0.30054880935660 85.468 18 Rb 0.54717077377893 0.15985604296755 0.86688993590560 85.468 19 Rb 0.65901394901041 0.01714140552029 0.38800732806866 85.468 20 Rb 0.15901394901041 0.98285859447971 0.11199267193134 85.468 21 H 0.06114536956275 0.10317204990865 0.83280657116442 1.008 22 H 0.43885463043725 0.10317204990865 0.33280657116442 1.008 23 H 0.10777204249399 0.07104800527907 0.61813292712970 1.008 24 H 0.43885463043725 0.39682795009135 0.83280657116442 1.008 25 H 0.89222795750601 0.57104800527907 0.88186707287030 1.008 26 H 0.89222795750601 0.92895199472093 0.38186707287030 1.008 27 H 0.56114536956274 0.89682795009135 0.66719342883558 1.008 28 H 0.39222795750601 0.42895199472093 0.61813292712970 1.008 29 H 0.75000000000000 0.25000000000000 0.62975826839783 1.008 30 H 0.56114536956274 0.60317204990865 0.16719342883558 1.008 31 H 0.39222795750601 0.07104800527907 0.11813292712970 1.008 32 H 0.60777204249399 0.92895199472093 0.88186707287030 1.008 33 H 0.25000000000000 0.75000000000000 0.37024173160217 1.008 34 H 0.75000000000000 0.25000000000000 0.12975826839783 1.008 35 H 0.93885463043726 0.89682795009135 0.16719342883558 1.008 36 H 0.06114536956275 0.39682795009135 0.33280657116442 1.008 37 H 0.60777204249399 0.57104800527907 0.38186707287030 1.008 38 H 0.93885463043726 0.60317204990865 0.66719342883558 1.008 39 H 0.25000000000000 0.75000000000000 0.87024173160217 1.008 40 H 0.10777204249399 0.42895199472093 0.11813292712970 1.008 41 O 0.44028669514243 0.04909619427546 0.23041848017679 15.999 42 O 0.05971330485757 0.04909619427546 0.73041848017679 15.999 43 O 0.55971330485757 0.54909619427546 0.26958151982321 15.999 44 O 0.55971330485757 0.95090380572454 0.76958151982321 15.999 45 O 0.94028669514243 0.95090380572454 0.26958151982321 15.999 46 O 0.05971330485757 0.45090380572454 0.23041848017679 15.999 47 O 0.44028669514243 0.45090380572454 0.73041848017679 15.999 48 O 0.94028669514243 0.54909619427546 0.76958151982321 15.999 49 F 0.67443523084750 0.59996255685538 0.55524031180524 18.998 50 F 0.32556476915250 0.09996255685538 0.94475968819476 18.998 51 F 0.94712561795821 0.82947989195768 0.99471799281045 18.998 52 F 0.82556476915250 0.90003744314462 0.55524031180524 18.998 53 F 0.26112604326071 0.83434986781151 0.86945427279723 18.998 54 F 0.73887395673929 0.16565013218849 0.13054572720277 18.998 55 F 0.82556476915250 0.59996255685538 0.05524031180524 18.998 56 F 0.23887395673928 0.66565013218849 0.86945427279723 18.998 57 F 0.44712561795821 0.32947989195768 0.00528200718956 18.998 58 F 0.05287438204179 0.32947989195768 0.50528200718955 18.998 59 F 0.26112604326071 0.66565013218849 0.36945427279723 18.998 60 F 0.32556476915250 0.40003744314463 0.44475968819476 18.998 61 F 0.17443523084750 0.40003744314463 0.94475968819476 18.998 62 F 0.67443523084750 0.90003744314462 0.05524031180524 18.998 63 F 0.73887395673929 0.33434986781151 0.63054572720277 18.998 64 F 0.23887395673928 0.83434986781151 0.36945427279723 18.998 65 F 0.94712561795821 0.67052010804232 0.49471799281044 18.998 66 F 0.17443523084750 0.09996255685538 0.44475968819476 18.998 67 F 0.76112604326071 0.16565013218849 0.63054572720277 18.998 68 F 0.55287438204179 0.82947989195768 0.49471799281044 18.998 69 F 0.44712561795821 0.17052010804232 0.50528200718955 18.998 70 F 0.05287438204179 0.17052010804232 0.00528200718956 18.998 71 F 0.76112604326071 0.33434986781151 0.13054572720277 18.998 72 F 0.55287438204179 0.67052010804232 0.99471799281045 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.974883100000005 Atomic positions (fractional): 1 Rb 0.15901394901041 0.51714140552029 0.30599633596567 85.468 > 1 2 Rb 0.15901394901041 0.51714140552029 0.80599633596567 85.468 > 1 3 Rb 0.34098605098959 0.51714140552029 0.05599633596567 85.468 > 3 4 Rb 0.34098605098959 0.51714140552029 0.55599633596567 85.468 > 3 5 Rb 0.95282922622107 0.15985604296755 0.18344496795280 85.468 > 5 6 Rb 0.95282922622107 0.15985604296755 0.68344496795280 85.468 > 5 7 Rb 0.04717077377893 0.65985604296755 0.06655503204720 85.468 > 7 8 Rb 0.04717077377893 0.65985604296755 0.56655503204720 85.468 > 7 9 Rb 0.25000000000000 0.25000000000000 0.34972559532170 85.468 > 9 10 Rb 0.25000000000000 0.25000000000000 0.84972559532170 85.468 > 9 11 Rb 0.75000000000000 0.75000000000000 0.40027440467830 85.468 > 11 12 Rb 0.75000000000000 0.75000000000000 0.90027440467830 85.468 > 11 13 Rb 0.84098605098959 0.01714140552029 0.44400366403433 85.468 > 13 14 Rb 0.84098605098959 0.01714140552029 0.94400366403433 85.468 > 13 15 Rb 0.25000000000000 0.25000000000000 0.09972559532170 85.468 > 15 16 Rb 0.25000000000000 0.25000000000000 0.59972559532170 85.468 > 15 17 Rb 0.45282922622107 0.65985604296755 0.31655503204720 85.468 > 17 18 Rb 0.45282922622107 0.65985604296755 0.81655503204720 85.468 > 17 19 Rb 0.65901394901041 0.48285859447971 0.44400366403433 85.468 > 19 20 Rb 0.65901394901041 0.48285859447971 0.94400366403433 85.468 > 19 21 Rb 0.84098605098959 0.48285859447971 0.19400366403433 85.468 > 21 22 Rb 0.84098605098959 0.48285859447971 0.69400366403433 85.468 > 21 23 Rb 0.54717077377893 0.34014395703245 0.18344496795280 85.468 > 23 24 Rb 0.54717077377893 0.34014395703245 0.68344496795280 85.468 > 23 25 Rb 0.04717077377893 0.84014395703245 0.31655503204720 85.468 > 25 26 Rb 0.04717077377893 0.84014395703245 0.81655503204720 85.468 > 25 27 Rb 0.95282922622107 0.34014395703245 0.43344496795280 85.468 > 27 28 Rb 0.95282922622107 0.34014395703245 0.93344496795280 85.468 > 27 29 Rb 0.45282922622107 0.84014395703245 0.06655503204720 85.468 > 29 30 Rb 0.45282922622107 0.84014395703245 0.56655503204720 85.468 > 29 31 Rb 0.34098605098959 0.98285859447971 0.30599633596567 85.468 > 31 32 Rb 0.34098605098959 0.98285859447971 0.80599633596567 85.468 > 31 33 Rb 0.75000000000000 0.75000000000000 0.15027440467830 85.468 > 33 34 Rb 0.75000000000000 0.75000000000000 0.65027440467830 85.468 > 33 35 Rb 0.54717077377893 0.15985604296755 0.43344496795280 85.468 > 35 36 Rb 0.54717077377893 0.15985604296755 0.93344496795280 85.468 > 35 37 Rb 0.65901394901041 0.01714140552029 0.19400366403433 85.468 > 37 38 Rb 0.65901394901041 0.01714140552029 0.69400366403433 85.468 > 37 39 Rb 0.15901394901041 0.98285859447971 0.05599633596567 85.468 > 39 40 Rb 0.15901394901041 0.98285859447971 0.55599633596567 85.468 > 39 41 H 0.06114536956275 0.10317204990865 0.41640328558221 1.008 > 41 42 H 0.06114536956275 0.10317204990865 0.91640328558221 1.008 > 41 43 H 0.43885463043725 0.10317204990865 0.16640328558221 1.008 > 43 44 H 0.43885463043725 0.10317204990865 0.66640328558221 1.008 > 43 45 H 0.10777204249399 0.07104800527907 0.30906646356485 1.008 > 45 46 H 0.10777204249399 0.07104800527907 0.80906646356485 1.008 > 45 47 H 0.43885463043725 0.39682795009135 0.41640328558221 1.008 > 47 48 H 0.43885463043725 0.39682795009135 0.91640328558221 1.008 > 47 49 H 0.89222795750601 0.57104800527907 0.44093353643515 1.008 > 49 50 H 0.89222795750601 0.57104800527907 0.94093353643515 1.008 > 49 51 H 0.89222795750601 0.92895199472093 0.19093353643515 1.008 > 51 52 H 0.89222795750601 0.92895199472093 0.69093353643515 1.008 > 51 53 H 0.56114536956274 0.89682795009135 0.33359671441779 1.008 > 53 54 H 0.56114536956274 0.89682795009135 0.83359671441779 1.008 > 53 55 H 0.39222795750601 0.42895199472093 0.30906646356485 1.008 > 55 56 H 0.39222795750601 0.42895199472093 0.80906646356485 1.008 > 55 57 H 0.75000000000000 0.25000000000000 0.31487913419891 1.008 > 57 58 H 0.75000000000000 0.25000000000000 0.81487913419891 1.008 > 57 59 H 0.56114536956274 0.60317204990865 0.08359671441779 1.008 > 59 60 H 0.56114536956274 0.60317204990865 0.58359671441779 1.008 > 59 61 H 0.39222795750601 0.07104800527907 0.05906646356485 1.008 > 61 62 H 0.39222795750601 0.07104800527907 0.55906646356485 1.008 > 61 63 H 0.60777204249399 0.92895199472093 0.44093353643515 1.008 > 63 64 H 0.60777204249399 0.92895199472093 0.94093353643515 1.008 > 63 65 H 0.25000000000000 0.75000000000000 0.18512086580109 1.008 > 65 66 H 0.25000000000000 0.75000000000000 0.68512086580109 1.008 > 65 67 H 0.75000000000000 0.25000000000000 0.06487913419891 1.008 > 67 68 H 0.75000000000000 0.25000000000000 0.56487913419891 1.008 > 67 69 H 0.93885463043726 0.89682795009135 0.08359671441779 1.008 > 69 70 H 0.93885463043726 0.89682795009135 0.58359671441779 1.008 > 69 71 H 0.06114536956275 0.39682795009135 0.16640328558221 1.008 > 71 72 H 0.06114536956275 0.39682795009135 0.66640328558221 1.008 > 71 73 H 0.60777204249399 0.57104800527907 0.19093353643515 1.008 > 73 74 H 0.60777204249399 0.57104800527907 0.69093353643515 1.008 > 73 75 H 0.93885463043726 0.60317204990865 0.33359671441779 1.008 > 75 76 H 0.93885463043726 0.60317204990865 0.83359671441779 1.008 > 75 77 H 0.25000000000000 0.75000000000000 0.43512086580109 1.008 > 77 78 H 0.25000000000000 0.75000000000000 0.93512086580109 1.008 > 77 79 H 0.10777204249399 0.42895199472093 0.05906646356485 1.008 > 79 80 H 0.10777204249399 0.42895199472093 0.55906646356485 1.008 > 79 81 O 0.44028669514243 0.04909619427546 0.11520924008839 15.999 > 81 82 O 0.44028669514243 0.04909619427546 0.61520924008839 15.999 > 81 83 O 0.05971330485757 0.04909619427546 0.36520924008839 15.999 > 83 84 O 0.05971330485757 0.04909619427546 0.86520924008839 15.999 > 83 85 O 0.55971330485757 0.54909619427546 0.13479075991161 15.999 > 85 86 O 0.55971330485757 0.54909619427546 0.63479075991161 15.999 > 85 87 O 0.55971330485757 0.95090380572454 0.38479075991161 15.999 > 87 88 O 0.55971330485757 0.95090380572454 0.88479075991161 15.999 > 87 89 O 0.94028669514243 0.95090380572454 0.13479075991161 15.999 > 89 90 O 0.94028669514243 0.95090380572454 0.63479075991161 15.999 > 89 91 O 0.05971330485757 0.45090380572454 0.11520924008839 15.999 > 91 92 O 0.05971330485757 0.45090380572454 0.61520924008839 15.999 > 91 93 O 0.44028669514243 0.45090380572454 0.36520924008839 15.999 > 93 94 O 0.44028669514243 0.45090380572454 0.86520924008839 15.999 > 93 95 O 0.94028669514243 0.54909619427546 0.38479075991161 15.999 > 95 96 O 0.94028669514243 0.54909619427546 0.88479075991161 15.999 > 95 97 F 0.67443523084750 0.59996255685538 0.27762015590262 18.998 > 97 98 F 0.67443523084750 0.59996255685538 0.77762015590262 18.998 > 97 99 F 0.32556476915250 0.09996255685538 0.47237984409738 18.998 > 99 100 F 0.32556476915250 0.09996255685538 0.97237984409738 18.998 > 99 101 F 0.94712561795821 0.82947989195768 0.49735899640522 18.998 > 101 102 F 0.94712561795821 0.82947989195768 0.99735899640522 18.998 > 101 103 F 0.82556476915250 0.90003744314462 0.27762015590262 18.998 > 103 104 F 0.82556476915250 0.90003744314462 0.77762015590262 18.998 > 103 105 F 0.26112604326071 0.83434986781151 0.43472713639862 18.998 > 105 106 F 0.26112604326071 0.83434986781151 0.93472713639862 18.998 > 105 107 F 0.73887395673929 0.16565013218849 0.06527286360138 18.998 > 107 108 F 0.73887395673929 0.16565013218849 0.56527286360138 18.998 > 107 109 F 0.82556476915250 0.59996255685538 0.02762015590262 18.998 > 109 110 F 0.82556476915250 0.59996255685538 0.52762015590262 18.998 > 109 111 F 0.23887395673928 0.66565013218849 0.43472713639862 18.998 > 111 112 F 0.23887395673928 0.66565013218849 0.93472713639862 18.998 > 111 113 F 0.44712561795821 0.32947989195768 0.00264100359478 18.998 > 113 114 F 0.44712561795821 0.32947989195768 0.50264100359478 18.998 > 113 115 F 0.05287438204179 0.32947989195768 0.25264100359478 18.998 > 115 116 F 0.05287438204179 0.32947989195768 0.75264100359478 18.998 > 115 117 F 0.26112604326071 0.66565013218849 0.18472713639862 18.998 > 117 118 F 0.26112604326071 0.66565013218849 0.68472713639862 18.998 > 117 119 F 0.32556476915250 0.40003744314463 0.22237984409738 18.998 > 119 120 F 0.32556476915250 0.40003744314463 0.72237984409738 18.998 > 119 121 F 0.17443523084750 0.40003744314463 0.47237984409738 18.998 > 121 122 F 0.17443523084750 0.40003744314463 0.97237984409738 18.998 > 121 123 F 0.67443523084750 0.90003744314462 0.02762015590262 18.998 > 123 124 F 0.67443523084750 0.90003744314462 0.52762015590262 18.998 > 123 125 F 0.73887395673929 0.33434986781151 0.31527286360138 18.998 > 125 126 F 0.73887395673929 0.33434986781151 0.81527286360138 18.998 > 125 127 F 0.23887395673928 0.83434986781151 0.18472713639862 18.998 > 127 128 F 0.23887395673928 0.83434986781151 0.68472713639862 18.998 > 127 129 F 0.94712561795821 0.67052010804232 0.24735899640522 18.998 > 129 130 F 0.94712561795821 0.67052010804232 0.74735899640522 18.998 > 129 131 F 0.17443523084750 0.09996255685538 0.22237984409738 18.998 > 131 132 F 0.17443523084750 0.09996255685538 0.72237984409738 18.998 > 131 133 F 0.76112604326071 0.16565013218849 0.31527286360138 18.998 > 133 134 F 0.76112604326071 0.16565013218849 0.81527286360138 18.998 > 133 135 F 0.55287438204179 0.82947989195768 0.24735899640522 18.998 > 135 136 F 0.55287438204179 0.82947989195768 0.74735899640522 18.998 > 135 137 F 0.44712561795821 0.17052010804232 0.25264100359478 18.998 > 137 138 F 0.44712561795821 0.17052010804232 0.75264100359478 18.998 > 137 139 F 0.05287438204179 0.17052010804232 0.00264100359478 18.998 > 139 140 F 0.05287438204179 0.17052010804232 0.50264100359478 18.998 > 139 141 F 0.76112604326071 0.33434986781151 0.06527286360138 18.998 > 141 142 F 0.76112604326071 0.33434986781151 0.56527286360138 18.998 > 141 143 F 0.55287438204179 0.67052010804232 0.49735899640522 18.998 > 143 144 F 0.55287438204179 0.67052010804232 0.99735899640522 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0994493 0.0000000 0.0000000 0.0000000 2.1390840 0.0000000 0.0000000 0.0000000 2.1540210 -------------------------- Born effective charges -------------------------- 1 Rb 1.2076800 -0.0277304 -0.0438738 -0.0150860 1.2188600 0.0213974 -0.0289456 0.0148088 1.2302012 2 Rb 1.2076800 0.0277304 0.0438738 0.0150860 1.2188600 0.0213974 0.0289456 0.0148088 1.2302012 3 Rb 1.2365013 0.0483756 -0.0001635 0.0303501 1.2153750 0.0646017 0.0074966 0.0431114 1.1827189 4 Rb 1.2365013 -0.0483756 -0.0001635 -0.0303501 1.2153750 -0.0646017 0.0074966 -0.0431114 1.1827189 5 Rb 1.1419088 -0.0444316 0.0000000 -0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 6 Rb 1.1419088 0.0444316 0.0000000 0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 7 Rb 1.2076800 0.0277304 -0.0438738 0.0150860 1.2188600 -0.0213974 -0.0289456 -0.0148088 1.2302012 8 Rb 1.1419088 0.0444316 0.0000000 0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 9 Rb 1.2365013 0.0483756 0.0001635 0.0303501 1.2153750 -0.0646017 -0.0074966 -0.0431114 1.1827189 10 Rb 1.2076800 0.0277304 0.0438738 0.0150860 1.2188600 0.0213974 0.0289456 0.0148088 1.2302012 11 Rb 1.2076800 -0.0277304 -0.0438738 -0.0150860 1.2188600 0.0213974 -0.0289456 0.0148088 1.2302012 12 Rb 1.2365013 0.0483756 0.0001635 0.0303501 1.2153750 -0.0646017 -0.0074966 -0.0431114 1.1827189 13 Rb 1.2365013 0.0483756 -0.0001635 0.0303501 1.2153750 0.0646017 0.0074966 0.0431114 1.1827189 14 Rb 1.2365013 -0.0483756 -0.0001635 -0.0303501 1.2153750 -0.0646017 0.0074966 -0.0431114 1.1827189 15 Rb 1.2365013 -0.0483756 0.0001635 -0.0303501 1.2153750 0.0646017 -0.0074966 0.0431114 1.1827189 16 Rb 1.2076800 -0.0277304 0.0438738 -0.0150860 1.2188600 -0.0213974 0.0289456 -0.0148088 1.2302012 17 Rb 1.1419088 -0.0444316 0.0000000 -0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 18 Rb 1.2365013 -0.0483756 0.0001635 -0.0303501 1.2153750 0.0646017 -0.0074966 0.0431114 1.1827189 19 Rb 1.2076800 -0.0277304 0.0438738 -0.0150860 1.2188600 -0.0213974 0.0289456 -0.0148088 1.2302012 20 Rb 1.2076800 0.0277304 -0.0438738 0.0150860 1.2188600 -0.0213974 -0.0289456 -0.0148088 1.2302012 21 H 0.2818666 -0.0604610 -0.0268264 -0.0647706 0.6515023 0.5521220 -0.0311797 0.5576816 0.9991518 22 H 0.2818666 0.0604610 0.0268264 0.0647706 0.6515023 0.5521220 0.0311797 0.5576816 0.9991518 23 H 0.6116905 0.1163225 -0.4815377 0.1235094 0.2971455 -0.2486035 -0.4847165 -0.2394113 1.0555401 24 H 0.2818666 -0.0604610 0.0268264 -0.0647706 0.6515023 -0.5521220 0.0311797 -0.5576816 0.9991518 25 H 0.6116905 -0.1163225 -0.4815377 -0.1235094 0.2971455 0.2486035 -0.4847165 0.2394113 1.0555401 26 H 0.6116905 0.1163225 -0.4815377 0.1235094 0.2971455 -0.2486035 -0.4847165 -0.2394113 1.0555401 27 H 0.2818666 0.0604610 0.0268264 0.0647706 0.6515023 0.5521220 0.0311797 0.5576816 0.9991518 28 H 0.6116905 0.1163225 0.4815377 0.1235094 0.2971455 0.2486035 0.4847165 0.2394113 1.0555401 29 H 0.3775892 -0.1884301 0.0000000 -0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 30 H 0.2818666 -0.0604610 0.0268264 -0.0647706 0.6515023 -0.5521220 0.0311797 -0.5576816 0.9991518 31 H 0.6116905 -0.1163225 0.4815377 -0.1235094 0.2971455 -0.2486035 0.4847165 -0.2394113 1.0555401 32 H 0.6116905 -0.1163225 0.4815377 -0.1235094 0.2971455 -0.2486035 0.4847165 -0.2394113 1.0555401 33 H 0.3775892 -0.1884301 0.0000000 -0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 34 H 0.3775892 0.1884301 0.0000000 0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 35 H 0.2818666 -0.0604610 -0.0268264 -0.0647706 0.6515023 0.5521220 -0.0311797 0.5576816 0.9991518 36 H 0.2818666 0.0604610 -0.0268264 0.0647706 0.6515023 -0.5521220 -0.0311797 -0.5576816 0.9991518 37 H 0.6116905 0.1163225 0.4815377 0.1235094 0.2971455 0.2486035 0.4847165 0.2394113 1.0555401 38 H 0.2818666 0.0604610 -0.0268264 0.0647706 0.6515023 -0.5521220 -0.0311797 -0.5576816 0.9991518 39 H 0.3775892 0.1884301 0.0000000 0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 40 H 0.6116905 -0.1163225 -0.4815377 -0.1235094 0.2971455 0.2486035 -0.4847165 0.2394113 1.0555401 41 O -1.1026917 0.0182895 -0.2427360 0.0207944 -1.1106006 -0.1222247 -0.2312169 -0.1383468 -1.6612203 42 O -1.1026917 -0.0182895 0.2427360 -0.0207944 -1.1106006 -0.1222247 0.2312169 -0.1383468 -1.6612203 43 O -1.1026917 -0.0182895 -0.2427360 -0.0207944 -1.1106006 0.1222247 -0.2312169 0.1383468 -1.6612203 44 O -1.1026917 0.0182895 -0.2427360 0.0207944 -1.1106006 -0.1222247 -0.2312169 -0.1383468 -1.6612203 45 O -1.1026917 -0.0182895 0.2427360 -0.0207944 -1.1106006 -0.1222247 0.2312169 -0.1383468 -1.6612203 46 O -1.1026917 0.0182895 0.2427360 0.0207944 -1.1106006 0.1222247 0.2312169 0.1383468 -1.6612203 47 O -1.1026917 -0.0182895 -0.2427360 -0.0207944 -1.1106006 0.1222247 -0.2312169 0.1383468 -1.6612203 48 O -1.1026917 0.0182895 0.2427360 0.0207944 -1.1106006 0.1222247 0.2312169 0.1383468 -1.6612203 49 F -1.1695640 -0.0606593 -0.1835317 -0.0727111 -1.0460285 -0.1014151 -0.1782867 -0.0991817 -1.4347869 50 F -1.1695640 0.0606593 -0.1835317 0.0727111 -1.0460285 0.1014151 -0.1782867 0.0991817 -1.4347869 51 F -0.9778467 0.0299603 0.0181231 0.0474044 -1.2630376 -0.2127602 0.0194063 -0.2046719 -1.3750060 52 F -1.1695640 -0.0606593 0.1835317 -0.0727111 -1.0460285 0.1014151 0.1782867 0.0991817 -1.4347869 53 F -0.8473851 -0.0838937 -0.0427519 -0.0871180 -1.6325214 0.0054669 -0.0409955 0.0053354 -0.7709728 54 F -0.8473851 -0.0838937 -0.0427519 -0.0871180 -1.6325214 0.0054669 -0.0409955 0.0053354 -0.7709728 55 F -1.1695640 0.0606593 0.1835317 0.0727111 -1.0460285 -0.1014151 0.1782867 -0.0991817 -1.4347869 56 F -0.8473851 -0.0838937 0.0427519 -0.0871180 -1.6325214 -0.0054669 0.0409955 -0.0053354 -0.7709728 57 F -0.9778467 0.0299603 -0.0181231 0.0474044 -1.2630376 0.2127602 -0.0194063 0.2046719 -1.3750060 58 F -0.9778467 -0.0299603 0.0181231 -0.0474044 -1.2630376 0.2127602 0.0194063 0.2046719 -1.3750060 59 F -0.8473851 0.0838937 -0.0427519 0.0871180 -1.6325214 -0.0054669 -0.0409955 -0.0053354 -0.7709728 60 F -1.1695640 -0.0606593 -0.1835317 -0.0727111 -1.0460285 -0.1014151 -0.1782867 -0.0991817 -1.4347869 61 F -1.1695640 0.0606593 0.1835317 0.0727111 -1.0460285 -0.1014151 0.1782867 -0.0991817 -1.4347869 62 F -1.1695640 0.0606593 -0.1835317 0.0727111 -1.0460285 0.1014151 -0.1782867 0.0991817 -1.4347869 63 F -0.8473851 0.0838937 -0.0427519 0.0871180 -1.6325214 -0.0054669 -0.0409955 -0.0053354 -0.7709728 64 F -0.8473851 0.0838937 0.0427519 0.0871180 -1.6325214 0.0054669 0.0409955 0.0053354 -0.7709728 65 F -0.9778467 -0.0299603 0.0181231 -0.0474044 -1.2630376 0.2127602 0.0194063 0.2046719 -1.3750060 66 F -1.1695640 -0.0606593 0.1835317 -0.0727111 -1.0460285 0.1014151 0.1782867 0.0991817 -1.4347869 67 F -0.8473851 0.0838937 0.0427519 0.0871180 -1.6325214 0.0054669 0.0409955 0.0053354 -0.7709728 68 F -0.9778467 -0.0299603 -0.0181231 -0.0474044 -1.2630376 -0.2127602 -0.0194063 -0.2046719 -1.3750060 69 F -0.9778467 -0.0299603 -0.0181231 -0.0474044 -1.2630376 -0.2127602 -0.0194063 -0.2046719 -1.3750060 70 F -0.9778467 0.0299603 0.0181231 0.0474044 -1.2630376 -0.2127602 0.0194063 -0.2046719 -1.3750060 71 F -0.8473851 -0.0838937 0.0427519 -0.0871180 -1.6325214 -0.0054669 0.0409955 -0.0053354 -0.7709728 72 F -0.9778467 0.0299603 -0.0181231 0.0474044 -1.2630376 0.2127602 -0.0194063 0.2046719 -1.3750060 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:54:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:54:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pccn (56) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.987441550000002 Atomic positions (fractional): 1 Rb 0.15901394901041 0.51714140552029 0.61199267193134 85.468 2 Rb 0.34098605098959 0.51714140552029 0.11199267193134 85.468 3 Rb 0.95282922622107 0.15985604296755 0.36688993590560 85.468 4 Rb 0.04717077377893 0.65985604296755 0.13311006409440 85.468 5 Rb 0.25000000000000 0.25000000000000 0.69945119064340 85.468 6 Rb 0.75000000000000 0.75000000000000 0.80054880935660 85.468 7 Rb 0.84098605098959 0.01714140552029 0.88800732806866 85.468 8 Rb 0.25000000000000 0.25000000000000 0.19945119064340 85.468 9 Rb 0.45282922622107 0.65985604296755 0.63311006409440 85.468 10 Rb 0.65901394901041 0.48285859447971 0.88800732806866 85.468 11 Rb 0.84098605098959 0.48285859447971 0.38800732806866 85.468 12 Rb 0.54717077377893 0.34014395703245 0.36688993590560 85.468 13 Rb 0.04717077377893 0.84014395703245 0.63311006409440 85.468 14 Rb 0.95282922622107 0.34014395703245 0.86688993590560 85.468 15 Rb 0.45282922622107 0.84014395703245 0.13311006409440 85.468 16 Rb 0.34098605098959 0.98285859447971 0.61199267193134 85.468 17 Rb 0.75000000000000 0.75000000000000 0.30054880935660 85.468 18 Rb 0.54717077377893 0.15985604296755 0.86688993590560 85.468 19 Rb 0.65901394901041 0.01714140552029 0.38800732806866 85.468 20 Rb 0.15901394901041 0.98285859447971 0.11199267193134 85.468 21 H 0.06114536956275 0.10317204990865 0.83280657116442 1.008 22 H 0.43885463043725 0.10317204990865 0.33280657116442 1.008 23 H 0.10777204249399 0.07104800527907 0.61813292712970 1.008 24 H 0.43885463043725 0.39682795009135 0.83280657116442 1.008 25 H 0.89222795750601 0.57104800527907 0.88186707287030 1.008 26 H 0.89222795750601 0.92895199472093 0.38186707287030 1.008 27 H 0.56114536956274 0.89682795009135 0.66719342883558 1.008 28 H 0.39222795750601 0.42895199472093 0.61813292712970 1.008 29 H 0.75000000000000 0.25000000000000 0.62975826839783 1.008 30 H 0.56114536956274 0.60317204990865 0.16719342883558 1.008 31 H 0.39222795750601 0.07104800527907 0.11813292712970 1.008 32 H 0.60777204249399 0.92895199472093 0.88186707287030 1.008 33 H 0.25000000000000 0.75000000000000 0.37024173160217 1.008 34 H 0.75000000000000 0.25000000000000 0.12975826839783 1.008 35 H 0.93885463043726 0.89682795009135 0.16719342883558 1.008 36 H 0.06114536956275 0.39682795009135 0.33280657116442 1.008 37 H 0.60777204249399 0.57104800527907 0.38186707287030 1.008 38 H 0.93885463043726 0.60317204990865 0.66719342883558 1.008 39 H 0.25000000000000 0.75000000000000 0.87024173160217 1.008 40 H 0.10777204249399 0.42895199472093 0.11813292712970 1.008 41 O 0.44028669514243 0.04909619427546 0.23041848017679 15.999 42 O 0.05971330485757 0.04909619427546 0.73041848017679 15.999 43 O 0.55971330485757 0.54909619427546 0.26958151982321 15.999 44 O 0.55971330485757 0.95090380572454 0.76958151982321 15.999 45 O 0.94028669514243 0.95090380572454 0.26958151982321 15.999 46 O 0.05971330485757 0.45090380572454 0.23041848017679 15.999 47 O 0.44028669514243 0.45090380572454 0.73041848017679 15.999 48 O 0.94028669514243 0.54909619427546 0.76958151982321 15.999 49 F 0.67443523084750 0.59996255685538 0.55524031180524 18.998 50 F 0.32556476915250 0.09996255685538 0.94475968819476 18.998 51 F 0.94712561795821 0.82947989195768 0.99471799281045 18.998 52 F 0.82556476915250 0.90003744314462 0.55524031180524 18.998 53 F 0.26112604326071 0.83434986781151 0.86945427279723 18.998 54 F 0.73887395673929 0.16565013218849 0.13054572720277 18.998 55 F 0.82556476915250 0.59996255685538 0.05524031180524 18.998 56 F 0.23887395673928 0.66565013218849 0.86945427279723 18.998 57 F 0.44712561795821 0.32947989195768 0.00528200718956 18.998 58 F 0.05287438204179 0.32947989195768 0.50528200718955 18.998 59 F 0.26112604326071 0.66565013218849 0.36945427279723 18.998 60 F 0.32556476915250 0.40003744314463 0.44475968819476 18.998 61 F 0.17443523084750 0.40003744314463 0.94475968819476 18.998 62 F 0.67443523084750 0.90003744314462 0.05524031180524 18.998 63 F 0.73887395673929 0.33434986781151 0.63054572720277 18.998 64 F 0.23887395673928 0.83434986781151 0.36945427279723 18.998 65 F 0.94712561795821 0.67052010804232 0.49471799281044 18.998 66 F 0.17443523084750 0.09996255685538 0.44475968819476 18.998 67 F 0.76112604326071 0.16565013218849 0.63054572720277 18.998 68 F 0.55287438204179 0.82947989195768 0.49471799281044 18.998 69 F 0.44712561795821 0.17052010804232 0.50528200718955 18.998 70 F 0.05287438204179 0.17052010804232 0.00528200718956 18.998 71 F 0.76112604326071 0.33434986781151 0.13054572720277 18.998 72 F 0.55287438204179 0.67052010804232 0.99471799281045 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.064184160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.484663879999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.974883100000005 Atomic positions (fractional): 1 Rb 0.15901394901041 0.51714140552029 0.30599633596567 85.468 > 1 2 Rb 0.15901394901041 0.51714140552029 0.80599633596567 85.468 > 1 3 Rb 0.34098605098959 0.51714140552029 0.05599633596567 85.468 > 3 4 Rb 0.34098605098959 0.51714140552029 0.55599633596567 85.468 > 3 5 Rb 0.95282922622107 0.15985604296755 0.18344496795280 85.468 > 5 6 Rb 0.95282922622107 0.15985604296755 0.68344496795280 85.468 > 5 7 Rb 0.04717077377893 0.65985604296755 0.06655503204720 85.468 > 7 8 Rb 0.04717077377893 0.65985604296755 0.56655503204720 85.468 > 7 9 Rb 0.25000000000000 0.25000000000000 0.34972559532170 85.468 > 9 10 Rb 0.25000000000000 0.25000000000000 0.84972559532170 85.468 > 9 11 Rb 0.75000000000000 0.75000000000000 0.40027440467830 85.468 > 11 12 Rb 0.75000000000000 0.75000000000000 0.90027440467830 85.468 > 11 13 Rb 0.84098605098959 0.01714140552029 0.44400366403433 85.468 > 13 14 Rb 0.84098605098959 0.01714140552029 0.94400366403433 85.468 > 13 15 Rb 0.25000000000000 0.25000000000000 0.09972559532170 85.468 > 15 16 Rb 0.25000000000000 0.25000000000000 0.59972559532170 85.468 > 15 17 Rb 0.45282922622107 0.65985604296755 0.31655503204720 85.468 > 17 18 Rb 0.45282922622107 0.65985604296755 0.81655503204720 85.468 > 17 19 Rb 0.65901394901041 0.48285859447971 0.44400366403433 85.468 > 19 20 Rb 0.65901394901041 0.48285859447971 0.94400366403433 85.468 > 19 21 Rb 0.84098605098959 0.48285859447971 0.19400366403433 85.468 > 21 22 Rb 0.84098605098959 0.48285859447971 0.69400366403433 85.468 > 21 23 Rb 0.54717077377893 0.34014395703245 0.18344496795280 85.468 > 23 24 Rb 0.54717077377893 0.34014395703245 0.68344496795280 85.468 > 23 25 Rb 0.04717077377893 0.84014395703245 0.31655503204720 85.468 > 25 26 Rb 0.04717077377893 0.84014395703245 0.81655503204720 85.468 > 25 27 Rb 0.95282922622107 0.34014395703245 0.43344496795280 85.468 > 27 28 Rb 0.95282922622107 0.34014395703245 0.93344496795280 85.468 > 27 29 Rb 0.45282922622107 0.84014395703245 0.06655503204720 85.468 > 29 30 Rb 0.45282922622107 0.84014395703245 0.56655503204720 85.468 > 29 31 Rb 0.34098605098959 0.98285859447971 0.30599633596567 85.468 > 31 32 Rb 0.34098605098959 0.98285859447971 0.80599633596567 85.468 > 31 33 Rb 0.75000000000000 0.75000000000000 0.15027440467830 85.468 > 33 34 Rb 0.75000000000000 0.75000000000000 0.65027440467830 85.468 > 33 35 Rb 0.54717077377893 0.15985604296755 0.43344496795280 85.468 > 35 36 Rb 0.54717077377893 0.15985604296755 0.93344496795280 85.468 > 35 37 Rb 0.65901394901041 0.01714140552029 0.19400366403433 85.468 > 37 38 Rb 0.65901394901041 0.01714140552029 0.69400366403433 85.468 > 37 39 Rb 0.15901394901041 0.98285859447971 0.05599633596567 85.468 > 39 40 Rb 0.15901394901041 0.98285859447971 0.55599633596567 85.468 > 39 41 H 0.06114536956275 0.10317204990865 0.41640328558221 1.008 > 41 42 H 0.06114536956275 0.10317204990865 0.91640328558221 1.008 > 41 43 H 0.43885463043725 0.10317204990865 0.16640328558221 1.008 > 43 44 H 0.43885463043725 0.10317204990865 0.66640328558221 1.008 > 43 45 H 0.10777204249399 0.07104800527907 0.30906646356485 1.008 > 45 46 H 0.10777204249399 0.07104800527907 0.80906646356485 1.008 > 45 47 H 0.43885463043725 0.39682795009135 0.41640328558221 1.008 > 47 48 H 0.43885463043725 0.39682795009135 0.91640328558221 1.008 > 47 49 H 0.89222795750601 0.57104800527907 0.44093353643515 1.008 > 49 50 H 0.89222795750601 0.57104800527907 0.94093353643515 1.008 > 49 51 H 0.89222795750601 0.92895199472093 0.19093353643515 1.008 > 51 52 H 0.89222795750601 0.92895199472093 0.69093353643515 1.008 > 51 53 H 0.56114536956274 0.89682795009135 0.33359671441779 1.008 > 53 54 H 0.56114536956274 0.89682795009135 0.83359671441779 1.008 > 53 55 H 0.39222795750601 0.42895199472093 0.30906646356485 1.008 > 55 56 H 0.39222795750601 0.42895199472093 0.80906646356485 1.008 > 55 57 H 0.75000000000000 0.25000000000000 0.31487913419891 1.008 > 57 58 H 0.75000000000000 0.25000000000000 0.81487913419891 1.008 > 57 59 H 0.56114536956274 0.60317204990865 0.08359671441779 1.008 > 59 60 H 0.56114536956274 0.60317204990865 0.58359671441779 1.008 > 59 61 H 0.39222795750601 0.07104800527907 0.05906646356485 1.008 > 61 62 H 0.39222795750601 0.07104800527907 0.55906646356485 1.008 > 61 63 H 0.60777204249399 0.92895199472093 0.44093353643515 1.008 > 63 64 H 0.60777204249399 0.92895199472093 0.94093353643515 1.008 > 63 65 H 0.25000000000000 0.75000000000000 0.18512086580109 1.008 > 65 66 H 0.25000000000000 0.75000000000000 0.68512086580109 1.008 > 65 67 H 0.75000000000000 0.25000000000000 0.06487913419891 1.008 > 67 68 H 0.75000000000000 0.25000000000000 0.56487913419891 1.008 > 67 69 H 0.93885463043726 0.89682795009135 0.08359671441779 1.008 > 69 70 H 0.93885463043726 0.89682795009135 0.58359671441779 1.008 > 69 71 H 0.06114536956275 0.39682795009135 0.16640328558221 1.008 > 71 72 H 0.06114536956275 0.39682795009135 0.66640328558221 1.008 > 71 73 H 0.60777204249399 0.57104800527907 0.19093353643515 1.008 > 73 74 H 0.60777204249399 0.57104800527907 0.69093353643515 1.008 > 73 75 H 0.93885463043726 0.60317204990865 0.33359671441779 1.008 > 75 76 H 0.93885463043726 0.60317204990865 0.83359671441779 1.008 > 75 77 H 0.25000000000000 0.75000000000000 0.43512086580109 1.008 > 77 78 H 0.25000000000000 0.75000000000000 0.93512086580109 1.008 > 77 79 H 0.10777204249399 0.42895199472093 0.05906646356485 1.008 > 79 80 H 0.10777204249399 0.42895199472093 0.55906646356485 1.008 > 79 81 O 0.44028669514243 0.04909619427546 0.11520924008839 15.999 > 81 82 O 0.44028669514243 0.04909619427546 0.61520924008839 15.999 > 81 83 O 0.05971330485757 0.04909619427546 0.36520924008839 15.999 > 83 84 O 0.05971330485757 0.04909619427546 0.86520924008839 15.999 > 83 85 O 0.55971330485757 0.54909619427546 0.13479075991161 15.999 > 85 86 O 0.55971330485757 0.54909619427546 0.63479075991161 15.999 > 85 87 O 0.55971330485757 0.95090380572454 0.38479075991161 15.999 > 87 88 O 0.55971330485757 0.95090380572454 0.88479075991161 15.999 > 87 89 O 0.94028669514243 0.95090380572454 0.13479075991161 15.999 > 89 90 O 0.94028669514243 0.95090380572454 0.63479075991161 15.999 > 89 91 O 0.05971330485757 0.45090380572454 0.11520924008839 15.999 > 91 92 O 0.05971330485757 0.45090380572454 0.61520924008839 15.999 > 91 93 O 0.44028669514243 0.45090380572454 0.36520924008839 15.999 > 93 94 O 0.44028669514243 0.45090380572454 0.86520924008839 15.999 > 93 95 O 0.94028669514243 0.54909619427546 0.38479075991161 15.999 > 95 96 O 0.94028669514243 0.54909619427546 0.88479075991161 15.999 > 95 97 F 0.67443523084750 0.59996255685538 0.27762015590262 18.998 > 97 98 F 0.67443523084750 0.59996255685538 0.77762015590262 18.998 > 97 99 F 0.32556476915250 0.09996255685538 0.47237984409738 18.998 > 99 100 F 0.32556476915250 0.09996255685538 0.97237984409738 18.998 > 99 101 F 0.94712561795821 0.82947989195768 0.49735899640522 18.998 > 101 102 F 0.94712561795821 0.82947989195768 0.99735899640522 18.998 > 101 103 F 0.82556476915250 0.90003744314462 0.27762015590262 18.998 > 103 104 F 0.82556476915250 0.90003744314462 0.77762015590262 18.998 > 103 105 F 0.26112604326071 0.83434986781151 0.43472713639862 18.998 > 105 106 F 0.26112604326071 0.83434986781151 0.93472713639862 18.998 > 105 107 F 0.73887395673929 0.16565013218849 0.06527286360138 18.998 > 107 108 F 0.73887395673929 0.16565013218849 0.56527286360138 18.998 > 107 109 F 0.82556476915250 0.59996255685538 0.02762015590262 18.998 > 109 110 F 0.82556476915250 0.59996255685538 0.52762015590262 18.998 > 109 111 F 0.23887395673928 0.66565013218849 0.43472713639862 18.998 > 111 112 F 0.23887395673928 0.66565013218849 0.93472713639862 18.998 > 111 113 F 0.44712561795821 0.32947989195768 0.00264100359478 18.998 > 113 114 F 0.44712561795821 0.32947989195768 0.50264100359478 18.998 > 113 115 F 0.05287438204179 0.32947989195768 0.25264100359478 18.998 > 115 116 F 0.05287438204179 0.32947989195768 0.75264100359478 18.998 > 115 117 F 0.26112604326071 0.66565013218849 0.18472713639862 18.998 > 117 118 F 0.26112604326071 0.66565013218849 0.68472713639862 18.998 > 117 119 F 0.32556476915250 0.40003744314463 0.22237984409738 18.998 > 119 120 F 0.32556476915250 0.40003744314463 0.72237984409738 18.998 > 119 121 F 0.17443523084750 0.40003744314463 0.47237984409738 18.998 > 121 122 F 0.17443523084750 0.40003744314463 0.97237984409738 18.998 > 121 123 F 0.67443523084750 0.90003744314462 0.02762015590262 18.998 > 123 124 F 0.67443523084750 0.90003744314462 0.52762015590262 18.998 > 123 125 F 0.73887395673929 0.33434986781151 0.31527286360138 18.998 > 125 126 F 0.73887395673929 0.33434986781151 0.81527286360138 18.998 > 125 127 F 0.23887395673928 0.83434986781151 0.18472713639862 18.998 > 127 128 F 0.23887395673928 0.83434986781151 0.68472713639862 18.998 > 127 129 F 0.94712561795821 0.67052010804232 0.24735899640522 18.998 > 129 130 F 0.94712561795821 0.67052010804232 0.74735899640522 18.998 > 129 131 F 0.17443523084750 0.09996255685538 0.22237984409738 18.998 > 131 132 F 0.17443523084750 0.09996255685538 0.72237984409738 18.998 > 131 133 F 0.76112604326071 0.16565013218849 0.31527286360138 18.998 > 133 134 F 0.76112604326071 0.16565013218849 0.81527286360138 18.998 > 133 135 F 0.55287438204179 0.82947989195768 0.24735899640522 18.998 > 135 136 F 0.55287438204179 0.82947989195768 0.74735899640522 18.998 > 135 137 F 0.44712561795821 0.17052010804232 0.25264100359478 18.998 > 137 138 F 0.44712561795821 0.17052010804232 0.75264100359478 18.998 > 137 139 F 0.05287438204179 0.17052010804232 0.00264100359478 18.998 > 139 140 F 0.05287438204179 0.17052010804232 0.50264100359478 18.998 > 139 141 F 0.76112604326071 0.33434986781151 0.06527286360138 18.998 > 141 142 F 0.76112604326071 0.33434986781151 0.56527286360138 18.998 > 141 143 F 0.55287438204179 0.67052010804232 0.49735899640522 18.998 > 143 144 F 0.55287438204179 0.67052010804232 0.99735899640522 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0994493 0.0000000 0.0000000 0.0000000 2.1390840 0.0000000 0.0000000 0.0000000 2.1540210 -------------------------- Born effective charges -------------------------- 1 Rb 1.2076800 -0.0277304 -0.0438738 -0.0150860 1.2188600 0.0213974 -0.0289456 0.0148088 1.2302012 2 Rb 1.2076800 0.0277304 0.0438738 0.0150860 1.2188600 0.0213974 0.0289456 0.0148088 1.2302012 3 Rb 1.2365013 0.0483756 -0.0001635 0.0303501 1.2153750 0.0646017 0.0074966 0.0431114 1.1827189 4 Rb 1.2365013 -0.0483756 -0.0001635 -0.0303501 1.2153750 -0.0646017 0.0074966 -0.0431114 1.1827189 5 Rb 1.1419088 -0.0444316 0.0000000 -0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 6 Rb 1.1419088 0.0444316 0.0000000 0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 7 Rb 1.2076800 0.0277304 -0.0438738 0.0150860 1.2188600 -0.0213974 -0.0289456 -0.0148088 1.2302012 8 Rb 1.1419088 0.0444316 0.0000000 0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 9 Rb 1.2365013 0.0483756 0.0001635 0.0303501 1.2153750 -0.0646017 -0.0074966 -0.0431114 1.1827189 10 Rb 1.2076800 0.0277304 0.0438738 0.0150860 1.2188600 0.0213974 0.0289456 0.0148088 1.2302012 11 Rb 1.2076800 -0.0277304 -0.0438738 -0.0150860 1.2188600 0.0213974 -0.0289456 0.0148088 1.2302012 12 Rb 1.2365013 0.0483756 0.0001635 0.0303501 1.2153750 -0.0646017 -0.0074966 -0.0431114 1.1827189 13 Rb 1.2365013 0.0483756 -0.0001635 0.0303501 1.2153750 0.0646017 0.0074966 0.0431114 1.1827189 14 Rb 1.2365013 -0.0483756 -0.0001635 -0.0303501 1.2153750 -0.0646017 0.0074966 -0.0431114 1.1827189 15 Rb 1.2365013 -0.0483756 0.0001635 -0.0303501 1.2153750 0.0646017 -0.0074966 0.0431114 1.1827189 16 Rb 1.2076800 -0.0277304 0.0438738 -0.0150860 1.2188600 -0.0213974 0.0289456 -0.0148088 1.2302012 17 Rb 1.1419088 -0.0444316 0.0000000 -0.0540620 1.2769435 -0.0000000 -0.0000000 -0.0000000 1.2301293 18 Rb 1.2365013 -0.0483756 0.0001635 -0.0303501 1.2153750 0.0646017 -0.0074966 0.0431114 1.1827189 19 Rb 1.2076800 -0.0277304 0.0438738 -0.0150860 1.2188600 -0.0213974 0.0289456 -0.0148088 1.2302012 20 Rb 1.2076800 0.0277304 -0.0438738 0.0150860 1.2188600 -0.0213974 -0.0289456 -0.0148088 1.2302012 21 H 0.2818666 -0.0604610 -0.0268264 -0.0647706 0.6515023 0.5521220 -0.0311797 0.5576816 0.9991518 22 H 0.2818666 0.0604610 0.0268264 0.0647706 0.6515023 0.5521220 0.0311797 0.5576816 0.9991518 23 H 0.6116905 0.1163225 -0.4815377 0.1235094 0.2971455 -0.2486035 -0.4847165 -0.2394113 1.0555401 24 H 0.2818666 -0.0604610 0.0268264 -0.0647706 0.6515023 -0.5521220 0.0311797 -0.5576816 0.9991518 25 H 0.6116905 -0.1163225 -0.4815377 -0.1235094 0.2971455 0.2486035 -0.4847165 0.2394113 1.0555401 26 H 0.6116905 0.1163225 -0.4815377 0.1235094 0.2971455 -0.2486035 -0.4847165 -0.2394113 1.0555401 27 H 0.2818666 0.0604610 0.0268264 0.0647706 0.6515023 0.5521220 0.0311797 0.5576816 0.9991518 28 H 0.6116905 0.1163225 0.4815377 0.1235094 0.2971455 0.2486035 0.4847165 0.2394113 1.0555401 29 H 0.3775892 -0.1884301 0.0000000 -0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 30 H 0.2818666 -0.0604610 0.0268264 -0.0647706 0.6515023 -0.5521220 0.0311797 -0.5576816 0.9991518 31 H 0.6116905 -0.1163225 0.4815377 -0.1235094 0.2971455 -0.2486035 0.4847165 -0.2394113 1.0555401 32 H 0.6116905 -0.1163225 0.4815377 -0.1235094 0.2971455 -0.2486035 0.4847165 -0.2394113 1.0555401 33 H 0.3775892 -0.1884301 0.0000000 -0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 34 H 0.3775892 0.1884301 0.0000000 0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 35 H 0.2818666 -0.0604610 -0.0268264 -0.0647706 0.6515023 0.5521220 -0.0311797 0.5576816 0.9991518 36 H 0.2818666 0.0604610 -0.0268264 0.0647706 0.6515023 -0.5521220 -0.0311797 -0.5576816 0.9991518 37 H 0.6116905 0.1163225 0.4815377 0.1235094 0.2971455 0.2486035 0.4847165 0.2394113 1.0555401 38 H 0.2818666 0.0604610 -0.0268264 0.0647706 0.6515023 -0.5521220 -0.0311797 -0.5576816 0.9991518 39 H 0.3775892 0.1884301 0.0000000 0.1967438 2.0616669 -0.0000000 -0.0000000 -0.0000000 0.3186189 40 H 0.6116905 -0.1163225 -0.4815377 -0.1235094 0.2971455 0.2486035 -0.4847165 0.2394113 1.0555401 41 O -1.1026917 0.0182895 -0.2427360 0.0207944 -1.1106006 -0.1222247 -0.2312169 -0.1383468 -1.6612203 42 O -1.1026917 -0.0182895 0.2427360 -0.0207944 -1.1106006 -0.1222247 0.2312169 -0.1383468 -1.6612203 43 O -1.1026917 -0.0182895 -0.2427360 -0.0207944 -1.1106006 0.1222247 -0.2312169 0.1383468 -1.6612203 44 O -1.1026917 0.0182895 -0.2427360 0.0207944 -1.1106006 -0.1222247 -0.2312169 -0.1383468 -1.6612203 45 O -1.1026917 -0.0182895 0.2427360 -0.0207944 -1.1106006 -0.1222247 0.2312169 -0.1383468 -1.6612203 46 O -1.1026917 0.0182895 0.2427360 0.0207944 -1.1106006 0.1222247 0.2312169 0.1383468 -1.6612203 47 O -1.1026917 -0.0182895 -0.2427360 -0.0207944 -1.1106006 0.1222247 -0.2312169 0.1383468 -1.6612203 48 O -1.1026917 0.0182895 0.2427360 0.0207944 -1.1106006 0.1222247 0.2312169 0.1383468 -1.6612203 49 F -1.1695640 -0.0606593 -0.1835317 -0.0727111 -1.0460285 -0.1014151 -0.1782867 -0.0991817 -1.4347869 50 F -1.1695640 0.0606593 -0.1835317 0.0727111 -1.0460285 0.1014151 -0.1782867 0.0991817 -1.4347869 51 F -0.9778467 0.0299603 0.0181231 0.0474044 -1.2630376 -0.2127602 0.0194063 -0.2046719 -1.3750060 52 F -1.1695640 -0.0606593 0.1835317 -0.0727111 -1.0460285 0.1014151 0.1782867 0.0991817 -1.4347869 53 F -0.8473851 -0.0838937 -0.0427519 -0.0871180 -1.6325214 0.0054669 -0.0409955 0.0053354 -0.7709728 54 F -0.8473851 -0.0838937 -0.0427519 -0.0871180 -1.6325214 0.0054669 -0.0409955 0.0053354 -0.7709728 55 F -1.1695640 0.0606593 0.1835317 0.0727111 -1.0460285 -0.1014151 0.1782867 -0.0991817 -1.4347869 56 F -0.8473851 -0.0838937 0.0427519 -0.0871180 -1.6325214 -0.0054669 0.0409955 -0.0053354 -0.7709728 57 F -0.9778467 0.0299603 -0.0181231 0.0474044 -1.2630376 0.2127602 -0.0194063 0.2046719 -1.3750060 58 F -0.9778467 -0.0299603 0.0181231 -0.0474044 -1.2630376 0.2127602 0.0194063 0.2046719 -1.3750060 59 F -0.8473851 0.0838937 -0.0427519 0.0871180 -1.6325214 -0.0054669 -0.0409955 -0.0053354 -0.7709728 60 F -1.1695640 -0.0606593 -0.1835317 -0.0727111 -1.0460285 -0.1014151 -0.1782867 -0.0991817 -1.4347869 61 F -1.1695640 0.0606593 0.1835317 0.0727111 -1.0460285 -0.1014151 0.1782867 -0.0991817 -1.4347869 62 F -1.1695640 0.0606593 -0.1835317 0.0727111 -1.0460285 0.1014151 -0.1782867 0.0991817 -1.4347869 63 F -0.8473851 0.0838937 -0.0427519 0.0871180 -1.6325214 -0.0054669 -0.0409955 -0.0053354 -0.7709728 64 F -0.8473851 0.0838937 0.0427519 0.0871180 -1.6325214 0.0054669 0.0409955 0.0053354 -0.7709728 65 F -0.9778467 -0.0299603 0.0181231 -0.0474044 -1.2630376 0.2127602 0.0194063 0.2046719 -1.3750060 66 F -1.1695640 -0.0606593 0.1835317 -0.0727111 -1.0460285 0.1014151 0.1782867 0.0991817 -1.4347869 67 F -0.8473851 0.0838937 0.0427519 0.0871180 -1.6325214 0.0054669 0.0409955 0.0053354 -0.7709728 68 F -0.9778467 -0.0299603 -0.0181231 -0.0474044 -1.2630376 -0.2127602 -0.0194063 -0.2046719 -1.3750060 69 F -0.9778467 -0.0299603 -0.0181231 -0.0474044 -1.2630376 -0.2127602 -0.0194063 -0.2046719 -1.3750060 70 F -0.9778467 0.0299603 0.0181231 0.0474044 -1.2630376 -0.2127602 0.0194063 -0.2046719 -1.3750060 71 F -0.8473851 -0.0838937 0.0427519 -0.0871180 -1.6325214 -0.0054669 0.0409955 -0.0053354 -0.7709728 72 F -0.9778467 0.0299603 -0.0181231 0.0474044 -1.2630376 0.2127602 -0.0194063 0.2046719 -1.3750060 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 7 ] 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: 0.40, Number of G-points: 295, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.240 ( 0.000 0.000 0.000) 0.000 0.610 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 1.032 ( 0.000 0.000 0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.194 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 10.627 ( 0.000 0.000 0.000) 0.000 10.642 ( 0.000 0.000 0.000) 0.000 10.686 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 10.947 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 18.955 ( 0.000 0.000 0.000) 0.000 18.955 ( 0.000 0.000 0.000) 0.000 19.038 ( 0.000 0.000 0.000) 0.000 19.050 ( 0.000 0.000 0.000) 0.000 26.978 ( 0.000 0.000 0.000) 0.000 26.996 ( 0.000 0.000 0.000) 0.000 26.999 ( 0.000 0.000 0.000) 0.000 27.070 ( 0.000 0.000 0.000) 0.000 27.448 ( 0.000 0.000 0.000) 0.000 27.460 ( 0.000 0.000 0.000) 0.000 27.504 ( 0.000 0.000 0.000) 0.000 27.510 ( 0.000 0.000 0.000) 0.000 29.236 ( 0.000 0.000 0.000) 0.000 29.253 ( 0.000 0.000 0.000) 0.000 29.254 ( 0.000 0.000 0.000) 0.000 29.298 ( 0.000 0.000 0.000) 0.000 29.305 ( 0.000 0.000 0.000) 0.000 29.312 ( 0.000 0.000 0.000) 0.000 29.332 ( 0.000 0.000 0.000) 0.000 29.547 ( 0.000 0.000 0.000) 0.000 30.684 ( 0.000 0.000 0.000) 0.000 30.713 ( 0.000 0.000 0.000) 0.000 30.773 ( 0.000 0.000 0.000) 0.000 30.793 ( 0.000 0.000 0.000) 0.000 30.820 ( 0.000 0.000 0.000) 0.000 30.839 ( 0.000 0.000 0.000) 0.000 30.864 ( 0.000 0.000 0.000) 0.000 30.913 ( 0.000 0.000 0.000) 0.000 34.954 ( 0.000 0.000 0.000) 0.000 34.961 ( 0.000 0.000 0.000) 0.000 36.158 ( 0.000 0.000 0.000) 0.000 36.176 ( 0.000 0.000 0.000) 0.000 36.721 ( 0.000 0.000 0.000) 0.000 36.724 ( 0.000 0.000 0.000) 0.000 37.017 ( 0.000 0.000 0.000) 0.000 37.073 ( 0.000 0.000 0.000) 0.000 48.077 ( 0.000 0.000 0.000) 0.000 48.083 ( 0.000 0.000 0.000) 0.000 48.119 ( 0.000 0.000 0.000) 0.000 48.121 ( 0.000 0.000 0.000) 0.000 48.154 ( 0.000 0.000 0.000) 0.000 48.161 ( 0.000 0.000 0.000) 0.000 48.235 ( 0.000 0.000 0.000) 0.000 48.271 ( 0.000 0.000 0.000) 0.000 49.602 ( 0.000 0.000 0.000) 0.000 49.610 ( 0.000 0.000 0.000) 0.000 53.344 ( 0.000 0.000 0.000) 0.000 55.001 ( 0.000 0.000 0.000) 0.000 85.182 ( 0.000 0.000 0.000) 0.000 85.218 ( 0.000 0.000 0.000) 0.000 85.222 ( 0.000 0.000 0.000) 0.000 85.252 ( 0.000 0.000 0.000) 0.000 85.343 ( 0.000 0.000 0.000) 0.000 85.388 ( 0.000 0.000 0.000) 0.000 85.400 ( 0.000 0.000 0.000) 0.000 85.436 ( 0.000 0.000 0.000) 0.000 86.314 ( 0.000 0.000 0.000) 0.000 86.363 ( 0.000 0.000 0.000) 0.000 86.402 ( 0.000 0.000 0.000) 0.000 86.506 ( 0.000 0.000 0.000) 0.000 86.543 ( 0.000 0.000 0.000) 0.000 86.566 ( 0.000 0.000 0.000) 0.000 86.585 ( 0.000 0.000 0.000) 0.000 86.946 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 14.923 0.000 0.000) 14.923 0.315 ( 14.267 0.000 0.000) 14.267 0.443 ( 12.734 0.000 0.000) 12.734 0.596 ( 25.776 0.000 0.000) 25.776 0.726 ( 10.016 0.000 0.000) 10.016 0.885 ( 1.087 0.000 0.000) 1.087 0.895 ( -10.360 0.000 0.000) 10.360 1.090 ( -4.521 0.000 0.000) 4.521 1.171 ( 0.432 0.000 0.000) 0.432 1.179 ( -5.287 0.000 0.000) 5.287 1.202 ( 3.187 0.000 0.000) 3.187 1.272 ( 2.489 0.000 0.000) 2.489 1.291 ( 3.164 0.000 0.000) 3.164 1.350 ( 2.696 0.000 0.000) 2.696 1.373 ( -9.137 0.000 0.000) 9.137 1.441 ( 9.688 0.000 0.000) 9.688 1.548 ( -5.084 0.000 0.000) 5.084 1.570 ( -2.802 0.000 0.000) 2.802 1.572 ( -5.852 0.000 0.000) 5.852 1.621 ( -3.212 0.000 0.000) 3.212 1.762 ( -2.308 0.000 0.000) 2.308 1.793 ( -2.756 0.000 0.000) 2.756 1.814 ( -3.125 0.000 0.000) 3.125 1.815 ( 2.946 0.000 0.000) 2.946 1.914 ( 0.660 0.000 0.000) 0.660 1.939 ( -4.667 0.000 0.000) 4.667 1.943 ( -3.170 0.000 0.000) 3.170 1.950 ( -1.505 0.000 0.000) 1.505 1.996 ( -10.197 0.000 0.000) 10.197 2.003 ( 0.740 0.000 0.000) 0.740 2.067 ( 7.317 0.000 0.000) 7.317 2.068 ( -4.275 0.000 0.000) 4.275 2.089 ( -1.110 0.000 0.000) 1.110 2.102 ( 2.274 0.000 0.000) 2.274 2.175 ( 2.747 0.000 0.000) 2.747 2.184 ( -0.823 0.000 0.000) 0.823 2.189 ( -0.368 0.000 0.000) 0.368 2.228 ( 2.123 0.000 0.000) 2.123 2.266 ( 2.628 0.000 0.000) 2.628 2.268 ( -2.847 0.000 0.000) 2.847 2.303 ( 1.020 0.000 0.000) 1.020 2.316 ( -2.021 0.000 0.000) 2.021 2.422 ( -1.277 0.000 0.000) 1.277 2.465 ( 1.574 0.000 0.000) 1.574 2.489 ( -0.080 0.000 0.000) 0.080 2.506 ( 2.086 0.000 0.000) 2.086 2.522 ( -2.041 0.000 0.000) 2.041 2.541 ( -2.809 0.000 0.000) 2.809 2.560 ( 0.646 0.000 0.000) 0.646 2.595 ( 0.584 0.000 0.000) 0.584 2.620 ( 1.682 0.000 0.000) 1.682 2.629 ( -0.782 0.000 0.000) 0.782 2.779 ( 0.528 0.000 0.000) 0.528 2.782 ( 5.994 0.000 0.000) 5.994 2.785 ( -0.904 0.000 0.000) 0.904 2.826 ( 2.700 0.000 0.000) 2.700 2.836 ( -1.996 0.000 0.000) 1.996 2.882 ( -2.951 0.000 0.000) 2.951 2.884 ( 0.104 0.000 0.000) 0.104 2.921 ( -3.290 0.000 0.000) 3.290 2.939 ( -3.038 0.000 0.000) 3.038 2.945 ( -1.980 0.000 0.000) 1.980 2.946 ( -0.581 0.000 0.000) 0.581 2.990 ( -0.581 0.000 0.000) 0.581 3.042 ( 3.045 0.000 0.000) 3.045 3.099 ( -0.529 0.000 0.000) 0.529 3.133 ( 1.229 0.000 0.000) 1.229 3.136 ( -2.181 0.000 0.000) 2.181 3.154 ( 2.899 0.000 0.000) 2.899 3.164 ( 1.827 0.000 0.000) 1.827 3.175 ( -0.296 0.000 0.000) 0.296 3.207 ( 0.859 0.000 0.000) 0.859 3.222 ( 5.662 0.000 0.000) 5.662 3.232 ( 1.774 0.000 0.000) 1.774 3.248 ( 0.083 0.000 0.000) 0.083 3.277 ( -0.597 0.000 0.000) 0.597 3.288 ( -1.117 0.000 0.000) 1.117 3.346 ( 5.223 0.000 0.000) 5.223 3.392 ( 2.285 0.000 0.000) 2.285 3.451 ( -0.729 0.000 0.000) 0.729 3.495 ( -0.761 0.000 0.000) 0.761 3.497 ( -2.378 0.000 0.000) 2.378 3.546 ( -1.103 0.000 0.000) 1.103 3.576 ( -4.870 0.000 0.000) 4.870 3.578 ( 1.492 0.000 0.000) 1.492 3.642 ( -0.629 0.000 0.000) 0.629 3.655 ( 3.815 0.000 0.000) 3.815 3.717 ( 3.165 0.000 0.000) 3.165 3.794 ( -2.018 0.000 0.000) 2.018 3.852 ( 1.511 0.000 0.000) 1.511 3.859 ( 0.348 0.000 0.000) 0.348 3.875 ( -4.395 0.000 0.000) 4.395 3.939 ( 1.395 0.000 0.000) 1.395 4.034 ( -2.685 0.000 0.000) 2.685 4.047 ( 2.849 0.000 0.000) 2.849 4.180 ( -2.466 0.000 0.000) 2.466 4.184 ( 1.929 0.000 0.000) 1.929 4.230 ( 0.171 0.000 0.000) 0.171 4.256 ( 0.151 0.000 0.000) 0.151 4.264 ( -0.066 0.000 0.000) 0.066 4.271 ( -0.476 0.000 0.000) 0.476 4.286 ( -0.882 0.000 0.000) 0.882 4.423 ( 2.498 0.000 0.000) 2.498 4.506 ( -0.965 0.000 0.000) 0.965 4.609 ( 1.020 0.000 0.000) 1.020 4.700 ( -2.692 0.000 0.000) 2.692 4.740 ( 0.624 0.000 0.000) 0.624 4.769 ( -0.407 0.000 0.000) 0.407 4.782 ( 0.291 0.000 0.000) 0.291 4.815 ( -1.708 0.000 0.000) 1.708 4.876 ( 1.843 0.000 0.000) 1.843 4.907 ( 1.667 0.000 0.000) 1.667 4.913 ( -0.138 0.000 0.000) 0.138 4.913 ( 0.897 0.000 0.000) 0.897 4.926 ( -0.755 0.000 0.000) 0.755 5.011 ( -3.706 0.000 0.000) 3.706 5.125 ( 0.684 0.000 0.000) 0.684 5.174 ( -1.465 0.000 0.000) 1.465 5.176 ( 0.476 0.000 0.000) 0.476 5.209 ( -0.719 0.000 0.000) 0.719 5.226 ( 1.055 0.000 0.000) 1.055 5.307 ( -2.823 0.000 0.000) 2.823 5.483 ( 3.170 0.000 0.000) 3.170 5.504 ( 1.774 0.000 0.000) 1.774 5.602 ( 3.764 0.000 0.000) 3.764 5.734 ( -0.492 0.000 0.000) 0.492 5.739 ( 2.512 0.000 0.000) 2.512 5.830 ( 3.989 0.000 0.000) 3.989 5.962 ( -6.449 0.000 0.000) 6.449 6.053 ( -3.657 0.000 0.000) 3.657 6.193 ( 1.464 0.000 0.000) 1.464 6.216 ( 3.819 0.000 0.000) 3.819 6.368 ( -0.131 0.000 0.000) 0.131 6.391 ( -0.848 0.000 0.000) 0.848 6.402 ( 0.760 0.000 0.000) 0.760 6.575 ( -3.800 0.000 0.000) 3.800 10.164 ( 0.445 0.000 0.000) 0.445 10.189 ( -0.205 0.000 0.000) 0.205 10.190 ( -0.145 0.000 0.000) 0.145 10.194 ( -0.824 0.000 0.000) 0.824 10.243 ( 1.250 0.000 0.000) 1.250 10.276 ( 1.734 0.000 0.000) 1.734 10.299 ( -0.972 0.000 0.000) 0.972 10.362 ( -1.589 0.000 0.000) 1.589 10.488 ( 1.838 0.000 0.000) 1.838 10.607 ( -2.927 0.000 0.000) 2.927 10.635 ( 0.706 0.000 0.000) 0.706 10.676 ( -0.886 0.000 0.000) 0.886 10.954 ( 0.590 0.000 0.000) 0.590 10.962 ( 1.860 0.000 0.000) 1.860 10.966 ( 0.132 0.000 0.000) 0.132 11.037 ( -1.136 0.000 0.000) 1.136 18.955 ( 0.006 0.000 0.000) 0.006 18.955 ( 0.006 0.000 0.000) 0.006 19.038 ( -0.025 0.000 0.000) 0.025 19.046 ( -0.367 0.000 0.000) 0.367 26.982 ( 0.279 0.000 0.000) 0.279 26.994 ( -0.193 0.000 0.000) 0.193 27.038 ( 0.449 0.000 0.000) 0.449 27.064 ( -0.544 0.000 0.000) 0.544 27.457 ( 0.830 0.000 0.000) 0.830 27.466 ( 0.545 0.000 0.000) 0.545 27.497 ( -0.625 0.000 0.000) 0.625 27.501 ( -0.828 0.000 0.000) 0.828 29.236 ( -0.049 0.000 0.000) 0.049 29.241 ( -0.420 0.000 0.000) 0.420 29.272 ( 0.913 0.000 0.000) 0.913 29.296 ( -0.187 0.000 0.000) 0.187 29.306 ( 0.045 0.000 0.000) 0.045 29.322 ( -0.752 0.000 0.000) 0.752 29.572 ( 2.090 0.000 0.000) 2.090 29.657 ( -1.313 0.000 0.000) 1.313 30.696 ( 1.153 0.000 0.000) 1.153 30.724 ( 1.015 0.000 0.000) 1.015 30.759 ( -1.254 0.000 0.000) 1.254 30.781 ( -1.128 0.000 0.000) 1.128 30.835 ( 1.311 0.000 0.000) 1.311 30.845 ( 0.543 0.000 0.000) 0.543 30.871 ( -0.434 0.000 0.000) 0.434 30.900 ( -1.166 0.000 0.000) 1.166 34.955 ( 0.090 0.000 0.000) 0.090 34.960 ( -0.090 0.000 0.000) 0.090 36.161 ( 0.230 0.000 0.000) 0.230 36.173 ( -0.236 0.000 0.000) 0.236 36.722 ( 0.042 0.000 0.000) 0.042 36.724 ( -0.036 0.000 0.000) 0.036 37.088 ( 1.323 0.000 0.000) 1.323 37.147 ( -0.944 0.000 0.000) 0.944 48.079 ( 0.245 0.000 0.000) 0.245 48.097 ( -0.519 0.000 0.000) 0.519 48.125 ( 0.404 0.000 0.000) 0.404 48.129 ( 0.676 0.000 0.000) 0.676 48.148 ( -0.470 0.000 0.000) 0.470 48.156 ( -0.469 0.000 0.000) 0.469 48.240 ( 0.482 0.000 0.000) 0.482 48.266 ( -0.489 0.000 0.000) 0.489 49.618 ( 0.678 0.000 0.000) 0.678 49.649 ( -0.528 0.000 0.000) 0.528 53.537 ( 18.375 0.000 0.000) 18.375 54.701 ( -26.339 0.000 0.000) 26.339 85.185 ( 0.313 0.000 0.000) 0.313 85.211 ( -0.640 0.000 0.000) 0.640 85.228 ( 0.499 0.000 0.000) 0.499 85.249 ( -0.308 0.000 0.000) 0.308 85.395 ( 0.648 0.000 0.000) 0.648 85.403 ( 0.311 0.000 0.000) 0.311 85.428 ( -0.573 0.000 0.000) 0.573 85.429 ( -0.615 0.000 0.000) 0.615 86.284 ( -1.626 0.000 0.000) 1.626 86.326 ( -2.765 0.000 0.000) 2.765 86.436 ( 3.109 0.000 0.000) 3.109 86.553 ( 3.152 0.000 0.000) 3.152 86.572 ( -1.490 0.000 0.000) 1.490 86.588 ( 1.396 0.000 0.000) 1.396 86.930 ( -1.071 0.000 0.000) 1.071 86.950 ( -1.214 0.000 0.000) 1.214 ======================= Grid point 2 (3/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -5.584 0.000 0.000) 5.584 0.546 ( 5.584 0.000 0.000) 5.584 0.612 ( -13.977 0.000 0.000) 13.977 0.612 ( 13.977 0.000 0.000) 13.977 0.918 ( -0.507 0.000 0.000) 0.507 0.918 ( 0.507 0.000 0.000) 0.507 0.989 ( -7.893 0.000 0.000) 7.893 0.989 ( 7.893 0.000 0.000) 7.893 1.053 ( -3.755 0.000 0.000) 3.755 1.053 ( 3.755 0.000 0.000) 3.755 1.336 ( -2.953 0.000 0.000) 2.953 1.336 ( 2.953 0.000 0.000) 2.953 1.393 ( -3.558 0.000 0.000) 3.558 1.393 ( 3.558 0.000 0.000) 3.558 1.410 ( -16.887 0.000 0.000) 16.887 1.410 ( 16.887 0.000 0.000) 16.887 1.433 ( -2.951 0.000 0.000) 2.951 1.433 ( 2.951 0.000 0.000) 2.951 1.568 ( -2.379 0.000 0.000) 2.379 1.568 ( 2.379 0.000 0.000) 2.379 1.678 ( -7.029 0.000 0.000) 7.029 1.678 ( 7.029 0.000 0.000) 7.029 1.823 ( -3.056 0.000 0.000) 3.056 1.823 ( 3.056 0.000 0.000) 3.056 1.908 ( -1.697 0.000 0.000) 1.697 1.908 ( 1.697 0.000 0.000) 1.697 1.917 ( -1.329 0.000 0.000) 1.329 1.917 ( 1.329 0.000 0.000) 1.329 1.954 ( -2.682 0.000 0.000) 2.682 1.954 ( 2.682 0.000 0.000) 2.682 2.054 ( -2.290 0.000 0.000) 2.290 2.054 ( 2.290 0.000 0.000) 2.290 2.137 ( -1.817 0.000 0.000) 1.817 2.137 ( 1.817 0.000 0.000) 1.817 2.197 ( -2.639 0.000 0.000) 2.639 2.197 ( 2.639 0.000 0.000) 2.639 2.198 ( -2.279 0.000 0.000) 2.279 2.198 ( 2.279 0.000 0.000) 2.279 2.282 ( -2.160 0.000 0.000) 2.160 2.282 ( 2.160 0.000 0.000) 2.160 2.318 ( -0.844 0.000 0.000) 0.844 2.318 ( 0.844 0.000 0.000) 0.844 2.433 ( -3.174 0.000 0.000) 3.174 2.433 ( 3.174 0.000 0.000) 3.174 2.491 ( -1.167 0.000 0.000) 1.167 2.491 ( 1.167 0.000 0.000) 1.167 2.532 ( -0.093 0.000 0.000) 0.093 2.532 ( 0.093 0.000 0.000) 0.093 2.580 ( -1.349 0.000 0.000) 1.349 2.580 ( 1.349 0.000 0.000) 1.349 2.635 ( -0.483 0.000 0.000) 0.483 2.635 ( 0.483 0.000 0.000) 0.483 2.773 ( -0.493 0.000 0.000) 0.493 2.773 ( 0.493 0.000 0.000) 0.493 2.821 ( -0.965 0.000 0.000) 0.965 2.821 ( 0.965 0.000 0.000) 0.965 2.859 ( -0.913 0.000 0.000) 0.913 2.859 ( 0.913 0.000 0.000) 0.913 2.896 ( -0.860 0.000 0.000) 0.860 2.896 ( 0.860 0.000 0.000) 0.860 2.898 ( -1.613 0.000 0.000) 1.613 2.898 ( 1.613 0.000 0.000) 1.613 2.967 ( -1.557 0.000 0.000) 1.557 2.967 ( 1.557 0.000 0.000) 1.557 3.101 ( -0.858 0.000 0.000) 0.858 3.101 ( 0.858 0.000 0.000) 0.858 3.113 ( -3.407 0.000 0.000) 3.407 3.113 ( 3.407 0.000 0.000) 3.407 3.172 ( -0.600 0.000 0.000) 0.600 3.172 ( 0.600 0.000 0.000) 0.600 3.204 ( -1.226 0.000 0.000) 1.226 3.204 ( 1.226 0.000 0.000) 1.226 3.255 ( -0.989 0.000 0.000) 0.989 3.255 ( 0.989 0.000 0.000) 0.989 3.256 ( -1.646 0.000 0.000) 1.646 3.256 ( 1.646 0.000 0.000) 1.646 3.386 ( -7.239 0.000 0.000) 7.239 3.386 ( 7.239 0.000 0.000) 7.239 3.424 ( -0.479 0.000 0.000) 0.479 3.424 ( 0.479 0.000 0.000) 0.479 3.473 ( -0.887 0.000 0.000) 0.887 3.473 ( 0.887 0.000 0.000) 0.887 3.519 ( -0.922 0.000 0.000) 0.922 3.519 ( 0.922 0.000 0.000) 0.922 3.617 ( -1.818 0.000 0.000) 1.818 3.617 ( 1.818 0.000 0.000) 1.818 3.736 ( -3.504 0.000 0.000) 3.504 3.736 ( 3.504 0.000 0.000) 3.504 3.787 ( -3.758 0.000 0.000) 3.758 3.787 ( 3.758 0.000 0.000) 3.758 3.866 ( -0.076 0.000 0.000) 0.076 3.866 ( 0.076 0.000 0.000) 0.076 3.978 ( -2.394 0.000 0.000) 2.394 3.978 ( 2.394 0.000 0.000) 2.394 4.113 ( -3.512 0.000 0.000) 3.512 4.113 ( 3.512 0.000 0.000) 3.512 4.222 ( -1.275 0.000 0.000) 1.275 4.222 ( 1.275 0.000 0.000) 1.275 4.262 ( -0.408 0.000 0.000) 0.408 4.262 ( 0.408 0.000 0.000) 0.408 4.266 ( -0.543 0.000 0.000) 0.543 4.266 ( 0.543 0.000 0.000) 0.543 4.474 ( -2.142 0.000 0.000) 2.142 4.474 ( 2.142 0.000 0.000) 2.142 4.644 ( -2.336 0.000 0.000) 2.336 4.644 ( 2.336 0.000 0.000) 2.336 4.756 ( -0.818 0.000 0.000) 0.818 4.756 ( 0.818 0.000 0.000) 0.818 4.790 ( -0.682 0.000 0.000) 0.682 4.790 ( 0.682 0.000 0.000) 0.682 4.913 ( -0.414 0.000 0.000) 0.414 4.913 ( 0.414 0.000 0.000) 0.414 4.926 ( -0.028 0.000 0.000) 0.028 4.926 ( 0.028 0.000 0.000) 0.028 4.933 ( -3.397 0.000 0.000) 3.397 4.933 ( 3.397 0.000 0.000) 3.397 5.144 ( -1.155 0.000 0.000) 1.155 5.144 ( 1.155 0.000 0.000) 1.155 5.192 ( -0.837 0.000 0.000) 0.837 5.192 ( 0.837 0.000 0.000) 0.837 5.255 ( -1.941 0.000 0.000) 1.941 5.255 ( 1.941 0.000 0.000) 1.941 5.523 ( -0.345 0.000 0.000) 0.345 5.523 ( 0.345 0.000 0.000) 0.345 5.685 ( -3.634 0.000 0.000) 3.634 5.685 ( 3.634 0.000 0.000) 3.634 5.830 ( -5.948 0.000 0.000) 5.948 5.830 ( 5.948 0.000 0.000) 5.948 5.947 ( -6.124 0.000 0.000) 6.124 5.947 ( 6.124 0.000 0.000) 6.124 6.230 ( -1.583 0.000 0.000) 1.583 6.230 ( 1.583 0.000 0.000) 1.583 6.373 ( -0.633 0.000 0.000) 0.633 6.373 ( 0.633 0.000 0.000) 0.633 6.474 ( -5.326 0.000 0.000) 5.326 6.474 ( 5.326 0.000 0.000) 5.326 10.177 ( -0.777 0.000 0.000) 0.777 10.177 ( 0.777 0.000 0.000) 0.777 10.187 ( -0.047 0.000 0.000) 0.047 10.187 ( 0.047 0.000 0.000) 0.047 10.273 ( -1.453 0.000 0.000) 1.453 10.273 ( 1.453 0.000 0.000) 1.453 10.320 ( -2.287 0.000 0.000) 2.287 10.320 ( 2.287 0.000 0.000) 2.287 10.541 ( -3.131 0.000 0.000) 3.131 10.541 ( 3.131 0.000 0.000) 3.131 10.654 ( -1.101 0.000 0.000) 1.101 10.654 ( 1.101 0.000 0.000) 1.101 10.965 ( -0.305 0.000 0.000) 0.305 10.965 ( 0.305 0.000 0.000) 0.305 11.004 ( -1.936 0.000 0.000) 1.936 11.004 ( 1.936 0.000 0.000) 1.936 18.955 ( -0.003 0.000 0.000) 0.003 18.955 ( 0.003 0.000 0.000) 0.003 19.039 ( -0.210 0.000 0.000) 0.210 19.039 ( 0.210 0.000 0.000) 0.210 26.988 ( -0.329 0.000 0.000) 0.329 26.988 ( 0.329 0.000 0.000) 0.329 27.051 ( -0.693 0.000 0.000) 0.693 27.051 ( 0.693 0.000 0.000) 0.693 27.479 ( -1.172 0.000 0.000) 1.172 27.479 ( 1.172 0.000 0.000) 1.172 27.481 ( -0.835 0.000 0.000) 0.835 27.481 ( 0.835 0.000 0.000) 0.835 29.236 ( -0.084 0.000 0.000) 0.084 29.236 ( 0.084 0.000 0.000) 0.084 29.288 ( -0.586 0.000 0.000) 0.586 29.288 ( 0.586 0.000 0.000) 0.586 29.309 ( -0.386 0.000 0.000) 0.386 29.309 ( 0.386 0.000 0.000) 0.386 29.619 ( -2.223 0.000 0.000) 2.223 29.619 ( 2.223 0.000 0.000) 2.223 30.727 ( -1.684 0.000 0.000) 1.684 30.727 ( 1.684 0.000 0.000) 1.684 30.752 ( -1.520 0.000 0.000) 1.520 30.752 ( 1.520 0.000 0.000) 1.520 30.859 ( -0.708 0.000 0.000) 0.708 30.859 ( 0.708 0.000 0.000) 0.708 30.869 ( -1.748 0.000 0.000) 1.748 30.869 ( 1.748 0.000 0.000) 1.748 34.958 ( -0.128 0.000 0.000) 0.128 34.958 ( 0.128 0.000 0.000) 0.128 36.167 ( -0.330 0.000 0.000) 0.330 36.167 ( 0.330 0.000 0.000) 0.330 36.723 ( -0.055 0.000 0.000) 0.055 36.723 ( 0.055 0.000 0.000) 0.055 37.120 ( -1.571 0.000 0.000) 1.571 37.120 ( 1.571 0.000 0.000) 1.571 48.087 ( -0.433 0.000 0.000) 0.433 48.087 ( 0.433 0.000 0.000) 0.433 48.136 ( -0.615 0.000 0.000) 0.615 48.136 ( 0.615 0.000 0.000) 0.615 48.144 ( -0.695 0.000 0.000) 0.695 48.144 ( 0.695 0.000 0.000) 0.695 48.253 ( -0.684 0.000 0.000) 0.684 48.253 ( 0.684 0.000 0.000) 0.684 49.635 ( -0.838 0.000 0.000) 0.838 49.635 ( 0.838 0.000 0.000) 0.838 54.067 ( -30.965 0.000 0.000) 30.965 54.067 ( 30.965 0.000 0.000) 30.965 85.196 ( -0.696 0.000 0.000) 0.696 85.196 ( 0.696 0.000 0.000) 0.696 85.240 ( -0.569 0.000 0.000) 0.569 85.240 ( 0.569 0.000 0.000) 0.569 85.412 ( -0.942 0.000 0.000) 0.942 85.412 ( 0.942 0.000 0.000) 0.942 85.414 ( -0.697 0.000 0.000) 0.697 85.414 ( 0.697 0.000 0.000) 0.697 86.279 ( -1.271 0.000 0.000) 1.271 86.279 ( 1.271 0.000 0.000) 1.271 86.514 ( -3.851 0.000 0.000) 3.851 86.514 ( 3.851 0.000 0.000) 3.851 86.598 ( -0.780 0.000 0.000) 0.780 86.598 ( 0.780 0.000 0.000) 0.780 86.925 ( -0.757 0.000 0.000) 0.757 86.925 ( 0.757 0.000 0.000) 0.757 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 0.000 12.070 0.000) 12.070 0.255 ( 0.000 12.415 0.000) 12.415 0.340 ( 0.000 7.782 0.000) 7.782 0.568 ( 0.000 -2.928 0.000) 2.928 0.663 ( 0.000 30.827 0.000) 30.827 0.908 ( 0.000 4.868 0.000) 4.868 0.980 ( 0.000 -3.198 0.000) 3.198 1.052 ( 0.000 -5.414 0.000) 5.414 1.063 ( 0.000 -5.364 0.000) 5.364 1.098 ( 0.000 -9.154 0.000) 9.154 1.255 ( 0.000 5.790 0.000) 5.790 1.259 ( 0.000 -2.065 0.000) 2.065 1.346 ( 0.000 4.451 0.000) 4.451 1.355 ( 0.000 10.239 0.000) 10.239 1.379 ( 0.000 5.630 0.000) 5.630 1.552 ( 0.000 -8.127 0.000) 8.127 1.558 ( 0.000 -5.367 0.000) 5.367 1.562 ( 0.000 -3.448 0.000) 3.448 1.658 ( 0.000 8.008 0.000) 8.008 1.660 ( 0.000 2.574 0.000) 2.574 1.759 ( 0.000 -4.310 0.000) 4.310 1.765 ( 0.000 0.133 0.000) 0.133 1.858 ( 0.000 -1.882 0.000) 1.882 1.861 ( 0.000 5.530 0.000) 5.530 1.873 ( 0.000 -13.299 0.000) 13.299 1.882 ( 0.000 -1.778 0.000) 1.778 1.906 ( 0.000 -4.808 0.000) 4.808 1.973 ( 0.000 1.713 0.000) 1.713 1.984 ( 0.000 1.863 0.000) 1.863 2.013 ( 0.000 2.160 0.000) 2.160 2.033 ( 0.000 -1.113 0.000) 1.113 2.100 ( 0.000 -0.952 0.000) 0.952 2.120 ( 0.000 -0.716 0.000) 0.716 2.142 ( 0.000 -0.903 0.000) 0.903 2.163 ( 0.000 -0.919 0.000) 0.919 2.171 ( 0.000 -0.961 0.000) 0.961 2.196 ( 0.000 4.543 0.000) 4.543 2.231 ( 0.000 -2.667 0.000) 2.667 2.234 ( 0.000 -0.028 0.000) 0.028 2.275 ( 0.000 -2.399 0.000) 2.399 2.312 ( 0.000 2.279 0.000) 2.279 2.348 ( 0.000 -8.410 0.000) 8.410 2.384 ( 0.000 2.023 0.000) 2.023 2.466 ( 0.000 1.115 0.000) 1.115 2.479 ( 0.000 -0.377 0.000) 0.377 2.481 ( 0.000 1.648 0.000) 1.648 2.494 ( 0.000 0.896 0.000) 0.896 2.507 ( 0.000 -1.491 0.000) 1.491 2.560 ( 0.000 -0.019 0.000) 0.019 2.573 ( 0.000 -2.717 0.000) 2.717 2.635 ( 0.000 -2.710 0.000) 2.710 2.653 ( 0.000 0.904 0.000) 0.904 2.663 ( 0.000 5.306 0.000) 5.306 2.727 ( 0.000 -0.911 0.000) 0.911 2.766 ( 0.000 -2.753 0.000) 2.753 2.793 ( 0.000 -11.064 0.000) 11.064 2.835 ( 0.000 4.659 0.000) 4.659 2.881 ( 0.000 1.832 0.000) 1.832 2.978 ( 0.000 -0.797 0.000) 0.797 2.980 ( 0.000 3.437 0.000) 3.437 2.988 ( 0.000 1.377 0.000) 1.377 2.990 ( 0.000 1.068 0.000) 1.068 3.027 ( 0.000 -0.531 0.000) 0.531 3.031 ( 0.000 0.313 0.000) 0.313 3.039 ( 0.000 3.281 0.000) 3.281 3.061 ( 0.000 -0.295 0.000) 0.295 3.093 ( 0.000 -0.937 0.000) 0.937 3.099 ( 0.000 -4.666 0.000) 4.666 3.121 ( 0.000 -0.063 0.000) 0.063 3.168 ( 0.000 -1.403 0.000) 1.403 3.191 ( 0.000 0.631 0.000) 0.631 3.209 ( 0.000 2.914 0.000) 2.914 3.241 ( 0.000 2.687 0.000) 2.687 3.246 ( 0.000 -1.865 0.000) 1.865 3.268 ( 0.000 -0.230 0.000) 0.230 3.271 ( 0.000 0.197 0.000) 0.197 3.291 ( 0.000 6.315 0.000) 6.315 3.340 ( 0.000 -0.229 0.000) 0.229 3.385 ( 0.000 2.738 0.000) 2.738 3.398 ( 0.000 -5.626 0.000) 5.626 3.495 ( 0.000 0.583 0.000) 0.583 3.521 ( 0.000 0.967 0.000) 0.967 3.526 ( 0.000 -0.757 0.000) 0.757 3.540 ( 0.000 -1.262 0.000) 1.262 3.575 ( 0.000 0.901 0.000) 0.901 3.604 ( 0.000 -0.267 0.000) 0.267 3.657 ( 0.000 0.326 0.000) 0.326 3.670 ( 0.000 -0.158 0.000) 0.158 3.743 ( 0.000 3.674 0.000) 3.674 3.817 ( 0.000 -0.201 0.000) 0.201 3.851 ( 0.000 0.114 0.000) 0.114 3.927 ( 0.000 0.379 0.000) 0.379 3.931 ( 0.000 -0.826 0.000) 0.826 3.982 ( 0.000 -2.931 0.000) 2.931 4.067 ( 0.000 0.428 0.000) 0.428 4.161 ( 0.000 -3.624 0.000) 3.624 4.182 ( 0.000 2.361 0.000) 2.361 4.220 ( 0.000 1.429 0.000) 1.429 4.237 ( 0.000 0.450 0.000) 0.450 4.255 ( 0.000 -0.388 0.000) 0.388 4.256 ( 0.000 -1.418 0.000) 1.418 4.273 ( 0.000 0.729 0.000) 0.729 4.303 ( 0.000 -0.060 0.000) 0.060 4.367 ( 0.000 -2.939 0.000) 2.939 4.695 ( 0.000 -0.624 0.000) 0.624 4.697 ( 0.000 -1.001 0.000) 1.001 4.789 ( 0.000 1.440 0.000) 1.440 4.792 ( 0.000 1.191 0.000) 1.191 4.793 ( 0.000 2.672 0.000) 2.672 4.839 ( 0.000 -0.898 0.000) 0.898 4.872 ( 0.000 0.215 0.000) 0.215 4.902 ( 0.000 -0.158 0.000) 0.158 4.909 ( 0.000 4.279 0.000) 4.279 4.932 ( 0.000 1.774 0.000) 1.774 4.948 ( 0.000 0.802 0.000) 0.802 5.017 ( 0.000 -1.947 0.000) 1.947 5.087 ( 0.000 2.178 0.000) 2.178 5.113 ( 0.000 -0.317 0.000) 0.317 5.198 ( 0.000 0.178 0.000) 0.178 5.211 ( 0.000 -0.601 0.000) 0.601 5.369 ( 0.000 2.311 0.000) 2.311 5.449 ( 0.000 0.727 0.000) 0.727 5.467 ( 0.000 -0.880 0.000) 0.880 5.477 ( 0.000 0.668 0.000) 0.668 5.487 ( 0.000 -2.524 0.000) 2.524 5.547 ( 0.000 -1.114 0.000) 1.114 5.802 ( 0.000 0.681 0.000) 0.681 5.829 ( 0.000 3.244 0.000) 3.244 5.959 ( 0.000 -8.291 0.000) 8.291 6.023 ( 0.000 -5.011 0.000) 5.011 6.160 ( 0.000 0.895 0.000) 0.895 6.174 ( 0.000 -0.302 0.000) 0.302 6.390 ( 0.000 1.447 0.000) 1.447 6.407 ( 0.000 0.482 0.000) 0.482 6.502 ( 0.000 8.192 0.000) 8.192 6.762 ( 0.000 -4.138 0.000) 4.138 10.117 ( 0.000 1.256 0.000) 1.256 10.177 ( 0.000 -1.368 0.000) 1.368 10.195 ( 0.000 0.261 0.000) 0.261 10.206 ( 0.000 -0.121 0.000) 0.121 10.235 ( 0.000 0.839 0.000) 0.839 10.289 ( 0.000 -1.668 0.000) 1.668 10.356 ( 0.000 0.839 0.000) 0.839 10.377 ( 0.000 -0.252 0.000) 0.252 10.620 ( 0.000 -0.229 0.000) 0.229 10.635 ( 0.000 -0.658 0.000) 0.658 10.660 ( 0.000 1.245 0.000) 1.245 10.686 ( 0.000 -0.086 0.000) 0.086 10.810 ( 0.000 1.231 0.000) 1.231 10.891 ( 0.000 -2.821 0.000) 2.821 10.988 ( 0.000 2.109 0.000) 2.109 11.042 ( 0.000 -0.748 0.000) 0.748 18.955 ( 0.000 0.003 0.000) 0.003 18.955 ( 0.000 0.003 0.000) 0.003 19.039 ( 0.000 0.069 0.000) 0.069 19.047 ( 0.000 -0.303 0.000) 0.303 26.982 ( 0.000 0.348 0.000) 0.348 26.996 ( 0.000 -0.263 0.000) 0.263 27.055 ( 0.000 0.269 0.000) 0.269 27.068 ( 0.000 -0.281 0.000) 0.281 27.450 ( 0.000 0.189 0.000) 0.189 27.459 ( 0.000 -0.192 0.000) 0.192 27.505 ( 0.000 0.054 0.000) 0.054 27.508 ( 0.000 -0.107 0.000) 0.107 29.239 ( 0.000 0.258 0.000) 0.258 29.251 ( 0.000 -0.236 0.000) 0.236 29.261 ( 0.000 0.696 0.000) 0.696 29.297 ( 0.000 -0.859 0.000) 0.859 29.315 ( 0.000 0.295 0.000) 0.295 29.329 ( 0.000 -0.322 0.000) 0.322 29.444 ( 0.000 1.637 0.000) 1.637 29.527 ( 0.000 -1.960 0.000) 1.960 30.688 ( 0.000 0.452 0.000) 0.452 30.714 ( 0.000 -0.716 0.000) 0.716 30.778 ( 0.000 0.463 0.000) 0.463 30.792 ( 0.000 -0.165 0.000) 0.165 30.822 ( 0.000 0.226 0.000) 0.226 30.836 ( 0.000 -0.320 0.000) 0.320 30.872 ( 0.000 0.774 0.000) 0.774 30.906 ( 0.000 -0.689 0.000) 0.689 34.955 ( 0.000 0.101 0.000) 0.101 34.960 ( 0.000 -0.101 0.000) 0.101 36.161 ( 0.000 0.259 0.000) 0.259 36.173 ( 0.000 -0.262 0.000) 0.262 36.723 ( 0.000 0.021 0.000) 0.021 36.724 ( 0.000 -0.019 0.000) 0.019 37.024 ( 0.000 0.749 0.000) 0.749 37.064 ( 0.000 -0.938 0.000) 0.938 48.081 ( 0.000 0.345 0.000) 0.345 48.086 ( 0.000 0.176 0.000) 0.176 48.121 ( 0.000 0.118 0.000) 0.118 48.123 ( 0.000 0.101 0.000) 0.101 48.163 ( 0.000 0.249 0.000) 0.249 48.178 ( 0.000 -0.326 0.000) 0.326 48.236 ( 0.000 0.226 0.000) 0.226 48.262 ( 0.000 -0.834 0.000) 0.834 49.604 ( 0.000 0.167 0.000) 0.167 49.610 ( 0.000 -0.070 0.000) 0.070 55.203 ( 0.000 20.297 0.000) 20.297 56.075 ( 0.000 -16.808 0.000) 16.808 85.203 ( 0.000 2.191 0.000) 2.191 85.237 ( 0.000 1.895 0.000) 1.895 85.275 ( 0.000 2.268 0.000) 2.268 85.325 ( 0.000 -1.832 0.000) 1.832 85.338 ( 0.000 -4.328 0.000) 4.328 85.370 ( 0.000 -1.806 0.000) 1.806 85.478 ( 0.000 2.322 0.000) 2.322 85.527 ( 0.000 -0.513 0.000) 0.513 86.330 ( 0.000 1.563 0.000) 1.563 86.392 ( 0.000 -1.070 0.000) 1.070 86.509 ( 0.000 0.297 0.000) 0.297 86.532 ( 0.000 -0.863 0.000) 0.863 86.574 ( 0.000 0.569 0.000) 0.569 86.584 ( 0.000 -0.039 0.000) 0.039 86.868 ( 0.000 1.172 0.000) 1.172 86.932 ( 0.000 -1.489 0.000) 1.489 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 12.384 8.298 0.000) 14.907 0.439 ( 10.693 9.047 0.000) 14.007 0.520 ( 12.191 6.558 0.000) 13.843 0.689 ( 10.350 -3.923 0.000) 11.069 0.814 ( 4.451 9.616 0.000) 10.596 0.868 ( -3.698 -2.617 0.000) 4.531 0.921 ( 4.694 10.744 0.000) 11.725 1.073 ( 5.025 0.358 0.000) 5.037 1.163 ( 4.258 -4.766 0.000) 6.391 1.173 ( 2.130 -6.488 0.000) 6.829 1.177 ( -4.627 2.169 0.000) 5.110 1.243 ( -3.824 -2.479 0.000) 4.557 1.271 ( -4.879 7.101 0.000) 8.615 1.341 ( -9.234 -3.977 0.000) 10.054 1.378 ( 2.658 2.424 0.000) 3.597 1.451 ( 4.437 1.687 0.000) 4.747 1.542 ( -0.927 -0.973 0.000) 1.344 1.549 ( -2.007 -1.897 0.000) 2.762 1.585 ( -4.348 1.106 0.000) 4.487 1.719 ( -2.162 7.416 0.000) 7.725 1.761 ( -0.405 -2.358 0.000) 2.393 1.779 ( -0.202 1.288 0.000) 1.304 1.814 ( -0.857 -7.096 0.000) 7.148 1.829 ( -1.680 -1.552 0.000) 2.287 1.844 ( -3.422 3.131 0.000) 4.638 1.898 ( 0.869 -1.668 0.000) 1.881 1.951 ( -0.391 -1.644 0.000) 1.690 1.957 ( 0.290 -0.855 0.000) 0.902 2.017 ( 0.367 2.367 0.000) 2.396 2.028 ( -1.614 -3.690 0.000) 4.028 2.039 ( 0.537 -3.308 0.000) 3.351 2.053 ( -7.495 3.046 0.000) 8.091 2.080 ( 1.614 1.324 0.000) 2.087 2.126 ( -0.291 1.884 0.000) 1.906 2.158 ( -1.407 -2.509 0.000) 2.876 2.186 ( -0.309 -0.254 0.000) 0.400 2.203 ( -1.945 0.979 0.000) 2.177 2.218 ( 1.081 -1.348 0.000) 1.727 2.245 ( 3.033 1.440 0.000) 3.357 2.251 ( 0.421 -1.497 0.000) 1.555 2.297 ( 2.493 0.095 0.000) 2.495 2.355 ( 0.566 -10.213 0.000) 10.228 2.385 ( -1.049 3.565 0.000) 3.716 2.433 ( -3.598 -5.798 0.000) 6.824 2.438 ( 0.974 -2.550 0.000) 2.730 2.446 ( -1.376 2.402 0.000) 2.769 2.509 ( -1.287 -1.433 0.000) 1.926 2.520 ( 1.423 -1.753 0.000) 2.258 2.521 ( -2.366 -1.141 0.000) 2.627 2.576 ( -0.272 -2.640 0.000) 2.654 2.658 ( 0.532 2.934 0.000) 2.982 2.659 ( 0.691 3.711 0.000) 3.774 2.716 ( -1.064 -5.786 0.000) 5.883 2.734 ( 0.175 -1.174 0.000) 1.187 2.783 ( 0.148 -2.369 0.000) 2.373 2.785 ( 3.439 -2.650 0.000) 4.342 2.867 ( 2.102 1.366 0.000) 2.507 2.869 ( -0.352 3.589 0.000) 3.606 2.921 ( -3.941 1.746 0.000) 4.311 2.945 ( -4.041 0.465 0.000) 4.068 2.964 ( -0.701 0.817 0.000) 1.076 2.966 ( -1.361 1.456 0.000) 1.993 2.988 ( -1.338 2.340 0.000) 2.696 3.003 ( -0.565 0.891 0.000) 1.055 3.051 ( 0.146 -1.397 0.000) 1.404 3.066 ( 1.584 0.716 0.000) 1.738 3.106 ( 0.804 -2.870 0.000) 2.980 3.138 ( 1.938 -1.100 0.000) 2.229 3.149 ( 1.838 -0.317 0.000) 1.865 3.189 ( 0.695 -1.350 0.000) 1.518 3.194 ( 2.120 3.906 0.000) 4.444 3.221 ( -2.235 -0.605 0.000) 2.316 3.227 ( 0.760 0.315 0.000) 0.823 3.282 ( 1.960 3.207 0.000) 3.759 3.292 ( 2.259 6.144 0.000) 6.546 3.303 ( -0.327 -0.138 0.000) 0.354 3.317 ( 1.280 3.832 0.000) 4.040 3.336 ( 5.262 -0.251 0.000) 5.268 3.387 ( 0.885 -0.347 0.000) 0.950 3.453 ( -1.980 0.547 0.000) 2.054 3.487 ( -0.375 -4.525 0.000) 4.540 3.491 ( -2.303 -0.661 0.000) 2.396 3.515 ( -0.877 -1.395 0.000) 1.648 3.535 ( -1.166 -1.149 0.000) 1.637 3.569 ( 0.921 -0.447 0.000) 1.024 3.604 ( 3.277 -2.248 0.000) 3.974 3.695 ( -1.506 2.926 0.000) 3.291 3.721 ( 2.729 0.446 0.000) 2.765 3.762 ( 2.456 -2.947 0.000) 3.836 3.797 ( -1.531 -0.730 0.000) 1.696 3.869 ( 1.437 2.230 0.000) 2.652 3.925 ( -0.871 2.027 0.000) 2.206 3.945 ( 1.780 0.715 0.000) 1.919 4.055 ( -0.507 1.383 0.000) 1.473 4.060 ( 0.495 -0.785 0.000) 0.928 4.139 ( -2.052 -3.365 0.000) 3.941 4.182 ( 2.778 0.106 0.000) 2.780 4.238 ( 0.093 0.527 0.000) 0.535 4.254 ( -0.119 -1.301 0.000) 1.306 4.255 ( 0.069 -0.226 0.000) 0.236 4.257 ( 0.274 -0.759 0.000) 0.807 4.291 ( -0.985 -0.262 0.000) 1.019 4.336 ( 5.792 -5.232 0.000) 7.806 4.395 ( 2.018 -2.985 0.000) 3.603 4.661 ( -2.144 0.791 0.000) 2.286 4.676 ( -1.963 -1.082 0.000) 2.241 4.784 ( -0.219 1.050 0.000) 1.072 4.785 ( -0.388 2.562 0.000) 2.591 4.798 ( 0.238 1.470 0.000) 1.489 4.816 ( -1.158 0.150 0.000) 1.167 4.899 ( 1.403 -0.490 0.000) 1.486 4.909 ( 0.595 -0.390 0.000) 0.711 4.912 ( 0.322 1.570 0.000) 1.603 4.941 ( -0.893 0.480 0.000) 1.014 4.942 ( 1.229 4.186 0.000) 4.363 5.020 ( -0.650 0.343 0.000) 0.735 5.109 ( 1.446 -1.509 0.000) 2.089 5.116 ( 0.250 -0.801 0.000) 0.840 5.183 ( -0.995 0.574 0.000) 1.148 5.199 ( -0.963 -0.728 0.000) 1.207 5.328 ( -2.404 1.805 0.000) 3.006 5.334 ( -4.424 4.149 0.000) 6.065 5.506 ( 3.362 0.919 0.000) 3.485 5.516 ( 2.866 1.069 0.000) 3.059 5.587 ( 3.495 -1.416 0.000) 3.771 5.626 ( 5.797 -4.477 0.000) 7.324 5.782 ( -2.256 2.364 0.000) 3.268 5.820 ( 1.520 -0.155 0.000) 1.528 5.921 ( -4.261 -4.493 0.000) 6.192 5.961 ( -3.846 -6.483 0.000) 7.538 6.190 ( 1.341 -0.243 0.000) 1.363 6.206 ( 2.376 -1.082 0.000) 2.611 6.387 ( -0.015 1.606 0.000) 1.606 6.398 ( -0.604 0.794 0.000) 0.997 6.493 ( -0.100 7.272 0.000) 7.273 6.651 ( -6.627 2.003 0.000) 6.923 10.140 ( 1.495 -0.044 0.000) 1.495 10.181 ( 0.331 -0.994 0.000) 1.048 10.193 ( -0.995 0.037 0.000) 0.995 10.199 ( 0.046 0.081 0.000) 0.093 10.248 ( 1.043 0.440 0.000) 1.132 10.279 ( -0.449 -0.930 0.000) 1.032 10.332 ( -1.394 2.063 0.000) 2.490 10.361 ( -1.447 -0.138 0.000) 1.454 10.537 ( -1.806 3.528 0.000) 3.964 10.599 ( -2.268 -0.638 0.000) 2.356 10.646 ( -0.216 0.865 0.000) 0.892 10.671 ( -0.750 -0.497 0.000) 0.900 10.926 ( 2.549 -1.455 0.000) 2.935 10.928 ( 3.672 -2.204 0.000) 4.282 10.991 ( 0.225 1.567 0.000) 1.583 11.032 ( -0.997 -0.573 0.000) 1.150 18.955 ( -0.005 -0.003 0.000) 0.006 18.955 ( -0.005 -0.003 0.000) 0.006 19.035 ( -0.155 -0.111 0.000) 0.191 19.042 ( -0.401 -0.349 0.000) 0.532 26.986 ( 0.363 0.437 0.000) 0.568 26.999 ( 0.037 0.107 0.000) 0.113 27.043 ( -0.314 0.449 0.000) 0.549 27.061 ( -0.584 -0.349 0.000) 0.680 27.457 ( 0.770 0.109 0.000) 0.777 27.465 ( 0.570 -0.168 0.000) 0.594 27.497 ( -0.658 0.018 0.000) 0.659 27.500 ( -0.806 -0.080 0.000) 0.810 29.240 ( -0.023 0.339 0.000) 0.339 29.243 ( -0.331 0.196 0.000) 0.385 29.273 ( 0.655 0.098 0.000) 0.662 29.284 ( -0.278 -0.586 0.000) 0.648 29.319 ( 0.012 0.625 0.000) 0.625 29.322 ( -0.456 -0.008 0.000) 0.456 29.551 ( 1.848 -1.929 0.000) 2.672 29.553 ( 4.289 -5.175 0.000) 6.721 30.700 ( 1.071 0.373 0.000) 1.134 30.720 ( 0.690 -0.485 0.000) 0.844 30.766 ( -1.048 0.562 0.000) 1.189 30.780 ( -1.066 -0.121 0.000) 1.073 30.836 ( 1.162 0.065 0.000) 1.164 30.843 ( 0.622 -0.220 0.000) 0.659 30.872 ( -0.261 0.341 0.000) 0.429 30.895 ( -1.020 -0.521 0.000) 1.146 34.956 ( 0.064 0.071 0.000) 0.096 34.960 ( -0.064 -0.071 0.000) 0.096 36.163 ( 0.161 0.183 0.000) 0.244 36.171 ( -0.168 -0.185 0.000) 0.250 36.722 ( -0.005 0.051 0.000) 0.051 36.723 ( -0.031 -0.015 0.000) 0.034 37.077 ( 1.140 -0.954 0.000) 1.486 37.083 ( 2.446 -2.997 0.000) 3.868 48.083 ( 0.217 0.333 0.000) 0.398 48.090 ( 0.124 -0.131 0.000) 0.180 48.127 ( 0.433 0.106 0.000) 0.446 48.127 ( 0.601 -0.036 0.000) 0.602 48.158 ( -0.475 0.238 0.000) 0.531 48.163 ( -1.031 0.468 0.000) 1.132 48.241 ( 0.362 0.075 0.000) 0.370 48.259 ( -0.341 -0.668 0.000) 0.750 49.615 ( 0.469 -0.230 0.000) 0.523 49.620 ( 0.765 -1.143 0.000) 1.376 54.700 ( -51.805 59.139 0.000) 78.621 54.888 ( -25.729 16.970 0.000) 30.821 85.201 ( -0.034 1.793 0.000) 1.793 85.226 ( -0.923 1.413 0.000) 1.688 85.271 ( -0.208 1.990 0.000) 2.001 85.292 ( -2.014 2.343 0.000) 3.089 85.350 ( 0.846 -3.364 0.000) 3.469 85.365 ( -0.085 -2.122 0.000) 2.124 85.456 ( -2.161 1.828 0.000) 2.830 85.462 ( -1.206 1.539 0.000) 1.955 86.302 ( -1.321 1.759 0.000) 2.200 86.357 ( -2.627 0.613 0.000) 2.697 86.463 ( -1.264 3.133 0.000) 3.378 86.546 ( 0.194 -0.849 0.000) 0.871 86.577 ( 1.031 0.481 0.000) 1.138 86.590 ( 2.042 0.105 0.000) 2.044 86.916 ( 0.711 -2.092 0.000) 2.210 86.918 ( -0.872 -1.092 0.000) 1.398 ======================= Grid point 7 (6/36) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -3.251 5.315 0.000) 6.230 0.612 ( 3.251 5.315 0.000) 6.230 0.663 ( -9.701 4.673 0.000) 10.768 0.663 ( 9.701 4.673 0.000) 10.768 0.882 ( -1.037 -2.002 0.000) 2.254 0.882 ( 1.037 -2.002 0.000) 2.254 1.022 ( -4.324 -3.312 0.000) 5.447 1.022 ( 4.324 -3.312 0.000) 5.447 1.140 ( -3.955 12.400 0.000) 13.016 1.140 ( 3.955 12.400 0.000) 13.016 1.216 ( -1.033 -6.301 0.000) 6.385 1.216 ( 1.033 -6.301 0.000) 6.385 1.326 ( -2.939 -4.594 0.000) 5.454 1.326 ( 2.939 -4.594 0.000) 5.454 1.420 ( -3.605 -1.244 0.000) 3.814 1.420 ( 3.605 -1.244 0.000) 3.814 1.516 ( -4.410 2.893 0.000) 5.274 1.516 ( 4.410 2.893 0.000) 5.274 1.599 ( -4.668 4.314 0.000) 6.356 1.599 ( 4.668 4.314 0.000) 6.356 1.721 ( -3.207 3.871 0.000) 5.027 1.721 ( 3.207 3.871 0.000) 5.027 1.807 ( -0.474 -0.611 0.000) 0.773 1.807 ( 0.474 -0.611 0.000) 0.773 1.881 ( -3.337 -1.213 0.000) 3.551 1.881 ( 3.337 -1.213 0.000) 3.551 1.933 ( -0.786 -0.915 0.000) 1.207 1.933 ( 0.786 -0.915 0.000) 1.207 1.976 ( -0.235 2.067 0.000) 2.080 1.976 ( 0.235 2.067 0.000) 2.080 2.034 ( -1.240 -1.971 0.000) 2.328 2.034 ( 1.240 -1.971 0.000) 2.328 2.135 ( -1.031 -0.325 0.000) 1.081 2.135 ( 1.031 -0.325 0.000) 1.081 2.167 ( -0.254 -1.616 0.000) 1.636 2.167 ( 0.254 -1.616 0.000) 1.636 2.188 ( -1.506 -1.934 0.000) 2.451 2.188 ( 1.506 -1.934 0.000) 2.451 2.301 ( -0.923 0.907 0.000) 1.294 2.301 ( 0.923 0.907 0.000) 1.294 2.349 ( -1.709 2.463 0.000) 2.998 2.349 ( 1.709 2.463 0.000) 2.998 2.378 ( -1.483 -10.149 0.000) 10.257 2.378 ( 1.483 -10.149 0.000) 10.257 2.435 ( -2.683 0.118 0.000) 2.686 2.435 ( 2.683 0.118 0.000) 2.686 2.486 ( -2.269 -1.778 0.000) 2.883 2.486 ( 2.269 -1.778 0.000) 2.883 2.556 ( -1.826 -5.104 0.000) 5.421 2.556 ( 1.826 -5.104 0.000) 5.421 2.668 ( -0.081 4.846 0.000) 4.846 2.668 ( 0.081 4.846 0.000) 4.846 2.715 ( -0.974 -2.697 0.000) 2.868 2.715 ( 0.974 -2.697 0.000) 2.868 2.794 ( -0.947 0.396 0.000) 1.026 2.794 ( 0.947 0.396 0.000) 1.026 2.867 ( -0.183 0.990 0.000) 1.006 2.867 ( 0.183 0.990 0.000) 1.006 2.907 ( -1.259 0.343 0.000) 1.304 2.907 ( 1.259 0.343 0.000) 1.304 2.962 ( -0.131 1.577 0.000) 1.582 2.962 ( 0.131 1.577 0.000) 1.582 2.979 ( -1.110 0.894 0.000) 1.425 2.979 ( 1.110 0.894 0.000) 1.425 3.060 ( -0.694 -2.672 0.000) 2.760 3.060 ( 0.694 -2.672 0.000) 2.760 3.157 ( -1.799 1.460 0.000) 2.317 3.157 ( 1.799 1.460 0.000) 2.317 3.171 ( -1.072 -1.526 0.000) 1.865 3.171 ( 1.072 -1.526 0.000) 1.865 3.202 ( -0.829 1.160 0.000) 1.426 3.202 ( 0.829 1.160 0.000) 1.426 3.263 ( -2.615 1.700 0.000) 3.119 3.263 ( 2.615 1.700 0.000) 3.119 3.312 ( -1.658 3.886 0.000) 4.225 3.312 ( 1.658 3.886 0.000) 4.225 3.383 ( -3.567 -0.745 0.000) 3.644 3.383 ( 3.567 -0.745 0.000) 3.644 3.416 ( -1.191 0.206 0.000) 1.209 3.416 ( 1.191 0.206 0.000) 1.209 3.474 ( -1.551 0.212 0.000) 1.565 3.474 ( 1.551 0.212 0.000) 1.565 3.503 ( -1.606 -1.327 0.000) 2.083 3.503 ( 1.606 -1.327 0.000) 2.083 3.604 ( -2.144 -0.683 0.000) 2.251 3.604 ( 2.144 -0.683 0.000) 2.251 3.727 ( -2.556 -0.518 0.000) 2.608 3.727 ( 2.556 -0.518 0.000) 2.608 3.778 ( -0.063 -1.784 0.000) 1.785 3.778 ( 0.063 -1.784 0.000) 1.785 3.901 ( -1.411 3.637 0.000) 3.901 3.901 ( 1.411 3.637 0.000) 3.901 3.999 ( -3.136 2.554 0.000) 4.044 3.999 ( 3.136 2.554 0.000) 4.044 4.090 ( -2.140 -2.009 0.000) 2.936 4.090 ( 2.140 -2.009 0.000) 2.936 4.231 ( -1.162 0.443 0.000) 1.244 4.231 ( 1.162 0.443 0.000) 1.244 4.255 ( -0.128 -0.654 0.000) 0.666 4.255 ( 0.128 -0.654 0.000) 0.666 4.267 ( -1.083 -0.382 0.000) 1.148 4.267 ( 1.083 -0.382 0.000) 1.148 4.413 ( -1.108 -4.767 0.000) 4.894 4.413 ( 1.108 -4.767 0.000) 4.894 4.641 ( -0.611 -0.322 0.000) 0.690 4.641 ( 0.611 -0.322 0.000) 0.690 4.782 ( -0.002 1.439 0.000) 1.439 4.782 ( 0.002 1.439 0.000) 1.439 4.802 ( -0.245 1.324 0.000) 1.347 4.802 ( 0.245 1.324 0.000) 1.347 4.918 ( -0.012 -0.668 0.000) 0.668 4.918 ( 0.012 -0.668 0.000) 0.668 4.920 ( -0.890 -0.003 0.000) 0.890 4.920 ( 0.890 -0.003 0.000) 0.890 4.983 ( -2.402 4.551 0.000) 5.146 4.983 ( 2.402 4.551 0.000) 5.146 5.121 ( -0.152 -1.829 0.000) 1.835 5.121 ( 0.152 -1.829 0.000) 1.835 5.179 ( -0.683 -0.333 0.000) 0.760 5.179 ( 0.683 -0.333 0.000) 0.760 5.296 ( -0.304 2.743 0.000) 2.760 5.296 ( 0.304 2.743 0.000) 2.760 5.549 ( -0.096 1.513 0.000) 1.516 5.549 ( 0.096 1.513 0.000) 1.516 5.663 ( -2.717 -1.206 0.000) 2.973 5.663 ( 2.717 -1.206 0.000) 2.973 5.807 ( -5.234 -2.167 0.000) 5.665 5.807 ( 5.234 -2.167 0.000) 5.665 5.882 ( -3.943 -4.582 0.000) 6.045 5.882 ( 3.943 -4.582 0.000) 6.045 6.218 ( -0.921 -0.889 0.000) 1.280 6.218 ( 0.921 -0.889 0.000) 1.280 6.390 ( -0.191 1.428 0.000) 1.441 6.390 ( 0.191 1.428 0.000) 1.441 6.535 ( -4.287 4.198 0.000) 6.001 6.535 ( 4.287 4.198 0.000) 6.001 10.168 ( -1.267 -0.085 0.000) 1.270 10.168 ( 1.267 -0.085 0.000) 1.270 10.192 ( -0.557 -0.276 0.000) 0.621 10.192 ( 0.557 -0.276 0.000) 0.621 10.271 ( -0.909 -0.138 0.000) 0.920 10.271 ( 0.909 -0.138 0.000) 0.920 10.328 ( -1.230 0.627 0.000) 1.381 10.328 ( 1.230 0.627 0.000) 1.381 10.549 ( -2.023 0.663 0.000) 2.129 10.549 ( 2.023 0.663 0.000) 2.129 10.654 ( -0.750 -0.012 0.000) 0.750 10.654 ( 0.750 -0.012 0.000) 0.750 10.961 ( -0.148 -0.276 0.000) 0.313 10.961 ( 0.148 -0.276 0.000) 0.313 11.004 ( -1.327 0.009 0.000) 1.327 11.004 ( 1.327 0.009 0.000) 1.327 18.955 ( -0.000 -0.019 0.000) 0.019 18.955 ( 0.000 -0.019 0.000) 0.019 19.035 ( -0.200 -0.321 0.000) 0.378 19.035 ( 0.200 -0.321 0.000) 0.378 26.995 ( -0.402 0.535 0.000) 0.669 26.995 ( 0.402 0.535 0.000) 0.669 27.048 ( -0.589 -0.281 0.000) 0.652 27.048 ( 0.589 -0.281 0.000) 0.652 27.478 ( -0.885 -0.044 0.000) 0.886 27.478 ( 0.885 -0.044 0.000) 0.886 27.481 ( -0.633 -0.044 0.000) 0.635 27.481 ( 0.633 -0.044 0.000) 0.635 29.239 ( -0.040 0.345 0.000) 0.347 29.239 ( 0.040 0.345 0.000) 0.347 29.281 ( -0.158 -0.549 0.000) 0.571 29.281 ( 0.158 -0.549 0.000) 0.571 29.318 ( -0.065 0.656 0.000) 0.660 29.318 ( 0.065 0.656 0.000) 0.660 29.582 ( -0.677 -2.960 0.000) 3.036 29.582 ( 0.677 -2.960 0.000) 3.036 30.725 ( -0.996 -0.096 0.000) 1.001 30.725 ( 0.996 -0.096 0.000) 1.001 30.756 ( -0.842 0.274 0.000) 0.885 30.756 ( 0.842 0.274 0.000) 0.885 30.857 ( -0.354 -0.153 0.000) 0.386 30.857 ( 0.354 -0.153 0.000) 0.386 30.869 ( -1.128 0.003 0.000) 1.128 30.869 ( 1.128 0.003 0.000) 1.128 34.958 ( -0.090 0.000 0.000) 0.090 34.958 ( 0.090 0.000 0.000) 0.090 36.167 ( -0.233 -0.001 0.000) 0.233 36.167 ( 0.233 -0.001 0.000) 0.233 36.723 ( -0.037 0.007 0.000) 0.037 36.723 ( 0.037 0.007 0.000) 0.037 37.098 ( -0.536 -1.673 0.000) 1.757 37.098 ( 0.536 -1.673 0.000) 1.757 48.088 ( -0.239 0.183 0.000) 0.301 48.088 ( 0.239 0.183 0.000) 0.301 48.137 ( -0.168 -0.187 0.000) 0.251 48.137 ( 0.168 -0.187 0.000) 0.251 48.148 ( -0.091 0.573 0.000) 0.580 48.148 ( 0.091 0.573 0.000) 0.580 48.250 ( -0.468 -0.278 0.000) 0.544 48.250 ( 0.468 -0.278 0.000) 0.544 49.624 ( -0.250 -0.757 0.000) 0.797 49.624 ( 0.250 -0.757 0.000) 0.797 54.413 ( -12.968 27.303 0.000) 30.226 54.413 ( 12.968 27.303 0.000) 30.226 85.207 ( -0.676 1.182 0.000) 1.362 85.207 ( 0.676 1.182 0.000) 1.362 85.271 ( -0.288 2.461 0.000) 2.478 85.271 ( 0.288 2.461 0.000) 2.478 85.363 ( -0.313 -2.758 0.000) 2.775 85.363 ( 0.313 -2.758 0.000) 2.775 85.443 ( -0.402 0.867 0.000) 0.956 85.443 ( 0.402 0.867 0.000) 0.956 86.305 ( -1.701 2.310 0.000) 2.869 86.305 ( 1.701 2.310 0.000) 2.869 86.496 ( -3.111 -1.528 0.000) 3.466 86.496 ( 3.111 -1.528 0.000) 3.466 86.611 ( -0.461 1.004 0.000) 1.105 86.611 ( 0.461 1.004 0.000) 1.105 86.912 ( -0.361 -1.087 0.000) 1.145 86.912 ( 0.361 -1.087 0.000) 1.145 ======================= Grid point 10 (7/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 -2.545 0.000) 2.545 0.411 ( 0.000 2.545 0.000) 2.545 0.436 ( 0.000 -9.703 0.000) 9.703 0.436 ( 0.000 9.703 0.000) 9.703 0.948 ( 0.000 -1.307 0.000) 1.307 0.948 ( 0.000 1.307 0.000) 1.307 0.993 ( 0.000 -0.212 0.000) 0.212 0.993 ( 0.000 0.212 0.000) 0.212 1.018 ( 0.000 -0.529 0.000) 0.529 1.018 ( 0.000 0.529 0.000) 0.529 1.390 ( 0.000 -8.297 0.000) 8.297 1.390 ( 0.000 8.297 0.000) 8.297 1.407 ( 0.000 -19.622 0.000) 19.622 1.407 ( 0.000 19.622 0.000) 19.622 1.449 ( 0.000 -5.819 0.000) 5.819 1.449 ( 0.000 5.819 0.000) 5.819 1.473 ( 0.000 -3.032 0.000) 3.032 1.473 ( 0.000 3.032 0.000) 3.032 1.610 ( 0.000 -4.040 0.000) 4.040 1.610 ( 0.000 4.040 0.000) 4.040 1.763 ( 0.000 -3.677 0.000) 3.677 1.763 ( 0.000 3.677 0.000) 3.677 1.790 ( 0.000 -5.507 0.000) 5.507 1.790 ( 0.000 5.507 0.000) 5.507 1.856 ( 0.000 -0.418 0.000) 0.418 1.856 ( 0.000 0.418 0.000) 0.418 1.968 ( 0.000 -5.428 0.000) 5.428 1.968 ( 0.000 5.428 0.000) 5.428 2.013 ( 0.000 -1.215 0.000) 1.215 2.013 ( 0.000 1.215 0.000) 1.215 2.033 ( 0.000 -4.151 0.000) 4.151 2.033 ( 0.000 4.151 0.000) 4.151 2.149 ( 0.000 -1.051 0.000) 1.051 2.149 ( 0.000 1.051 0.000) 1.051 2.159 ( 0.000 -3.647 0.000) 3.647 2.159 ( 0.000 3.647 0.000) 3.647 2.215 ( 0.000 -3.486 0.000) 3.486 2.215 ( 0.000 3.486 0.000) 3.486 2.249 ( 0.000 -2.413 0.000) 2.413 2.249 ( 0.000 2.413 0.000) 2.413 2.292 ( 0.000 -4.403 0.000) 4.403 2.292 ( 0.000 4.403 0.000) 4.403 2.438 ( 0.000 -3.248 0.000) 3.248 2.438 ( 0.000 3.248 0.000) 3.248 2.502 ( 0.000 -0.379 0.000) 0.379 2.502 ( 0.000 0.379 0.000) 0.379 2.512 ( 0.000 -3.656 0.000) 3.656 2.512 ( 0.000 3.656 0.000) 3.656 2.576 ( 0.000 -2.391 0.000) 2.391 2.576 ( 0.000 2.391 0.000) 2.391 2.579 ( 0.000 -7.211 0.000) 7.211 2.579 ( 0.000 7.211 0.000) 7.211 2.717 ( 0.000 -1.977 0.000) 1.977 2.717 ( 0.000 1.977 0.000) 1.977 2.722 ( 0.000 -0.554 0.000) 0.554 2.722 ( 0.000 0.554 0.000) 0.554 2.920 ( 0.000 -3.641 0.000) 3.641 2.920 ( 0.000 3.641 0.000) 3.641 2.975 ( 0.000 -5.746 0.000) 5.746 2.975 ( 0.000 5.746 0.000) 5.746 3.006 ( 0.000 -0.280 0.000) 0.280 3.006 ( 0.000 0.280 0.000) 0.280 3.019 ( 0.000 -0.199 0.000) 0.199 3.019 ( 0.000 0.199 0.000) 0.199 3.045 ( 0.000 -1.126 0.000) 1.126 3.045 ( 0.000 1.126 0.000) 1.126 3.072 ( 0.000 -1.307 0.000) 1.307 3.072 ( 0.000 1.307 0.000) 1.307 3.137 ( 0.000 -1.614 0.000) 1.614 3.137 ( 0.000 1.614 0.000) 1.614 3.210 ( 0.000 -1.757 0.000) 1.757 3.210 ( 0.000 1.757 0.000) 1.757 3.252 ( 0.000 -0.864 0.000) 0.864 3.252 ( 0.000 0.864 0.000) 0.864 3.291 ( 0.000 -5.393 0.000) 5.393 3.291 ( 0.000 5.393 0.000) 5.393 3.311 ( 0.000 -2.544 0.000) 2.544 3.311 ( 0.000 2.544 0.000) 2.544 3.405 ( 0.000 -2.763 0.000) 2.763 3.405 ( 0.000 2.763 0.000) 2.763 3.509 ( 0.000 -0.920 0.000) 0.920 3.509 ( 0.000 0.920 0.000) 0.920 3.523 ( 0.000 -0.153 0.000) 0.153 3.523 ( 0.000 0.153 0.000) 0.153 3.597 ( 0.000 -0.993 0.000) 0.993 3.597 ( 0.000 0.993 0.000) 0.993 3.665 ( 0.000 -0.421 0.000) 0.421 3.665 ( 0.000 0.421 0.000) 0.421 3.798 ( 0.000 -2.001 0.000) 2.001 3.798 ( 0.000 2.001 0.000) 2.001 3.883 ( 0.000 -3.595 0.000) 3.595 3.883 ( 0.000 3.595 0.000) 3.595 3.937 ( 0.000 -0.862 0.000) 0.862 3.937 ( 0.000 0.862 0.000) 0.862 4.097 ( 0.000 -2.787 0.000) 2.787 4.097 ( 0.000 2.787 0.000) 2.787 4.223 ( 0.000 -1.916 0.000) 1.916 4.223 ( 0.000 1.916 0.000) 1.916 4.247 ( 0.000 -0.383 0.000) 0.383 4.247 ( 0.000 0.383 0.000) 0.383 4.288 ( 0.000 -4.953 0.000) 4.953 4.288 ( 0.000 4.953 0.000) 4.953 4.291 ( 0.000 -1.028 0.000) 1.028 4.291 ( 0.000 1.028 0.000) 1.028 4.689 ( 0.000 -0.028 0.000) 0.028 4.689 ( 0.000 0.028 0.000) 0.028 4.810 ( 0.000 -0.446 0.000) 0.446 4.810 ( 0.000 0.446 0.000) 0.446 4.817 ( 0.000 -1.387 0.000) 1.387 4.817 ( 0.000 1.387 0.000) 1.387 4.890 ( 0.000 -1.201 0.000) 1.201 4.890 ( 0.000 1.201 0.000) 1.201 4.959 ( 0.000 -0.474 0.000) 0.474 4.959 ( 0.000 0.474 0.000) 0.474 4.974 ( 0.000 -2.473 0.000) 2.473 4.974 ( 0.000 2.473 0.000) 2.473 5.111 ( 0.000 -0.204 0.000) 0.204 5.111 ( 0.000 0.204 0.000) 0.204 5.201 ( 0.000 -0.289 0.000) 0.289 5.201 ( 0.000 0.289 0.000) 0.289 5.426 ( 0.000 -3.613 0.000) 3.613 5.426 ( 0.000 3.613 0.000) 3.613 5.454 ( 0.000 -0.305 0.000) 0.305 5.454 ( 0.000 0.305 0.000) 0.305 5.513 ( 0.000 -2.492 0.000) 2.492 5.513 ( 0.000 2.492 0.000) 2.492 5.840 ( 0.000 -4.008 0.000) 4.008 5.840 ( 0.000 4.008 0.000) 4.008 5.917 ( 0.000 -5.820 0.000) 5.820 5.917 ( 0.000 5.820 0.000) 5.820 6.168 ( 0.000 -0.313 0.000) 0.313 6.168 ( 0.000 0.313 0.000) 0.313 6.409 ( 0.000 -0.446 0.000) 0.446 6.409 ( 0.000 0.446 0.000) 0.446 6.653 ( 0.000 -7.394 0.000) 7.394 6.653 ( 0.000 7.394 0.000) 7.394 10.147 ( 0.000 -1.788 0.000) 1.788 10.147 ( 0.000 1.788 0.000) 1.788 10.201 ( 0.000 -0.341 0.000) 0.341 10.201 ( 0.000 0.341 0.000) 0.341 10.258 ( 0.000 -1.585 0.000) 1.585 10.258 ( 0.000 1.585 0.000) 1.585 10.369 ( 0.000 -0.582 0.000) 0.582 10.369 ( 0.000 0.582 0.000) 0.582 10.623 ( 0.000 -0.504 0.000) 0.504 10.623 ( 0.000 0.504 0.000) 0.504 10.679 ( 0.000 -0.738 0.000) 0.738 10.679 ( 0.000 0.738 0.000) 0.738 10.843 ( 0.000 -2.283 0.000) 2.283 10.843 ( 0.000 2.283 0.000) 2.283 11.021 ( 0.000 -1.449 0.000) 1.449 11.021 ( 0.000 1.449 0.000) 1.449 18.955 ( 0.000 -0.003 0.000) 0.003 18.955 ( 0.000 0.003 0.000) 0.003 19.042 ( 0.000 -0.249 0.000) 0.249 19.042 ( 0.000 0.249 0.000) 0.249 26.990 ( 0.000 -0.430 0.000) 0.430 26.990 ( 0.000 0.430 0.000) 0.430 27.061 ( 0.000 -0.388 0.000) 0.388 27.061 ( 0.000 0.388 0.000) 0.388 27.454 ( 0.000 -0.269 0.000) 0.269 27.454 ( 0.000 0.269 0.000) 0.269 27.506 ( 0.000 -0.112 0.000) 0.112 27.506 ( 0.000 0.112 0.000) 0.112 29.245 ( 0.000 -0.350 0.000) 0.350 29.245 ( 0.000 0.350 0.000) 0.350 29.278 ( 0.000 -1.059 0.000) 1.059 29.278 ( 0.000 1.059 0.000) 1.059 29.322 ( 0.000 -0.436 0.000) 0.436 29.322 ( 0.000 0.436 0.000) 0.436 29.483 ( 0.000 -2.467 0.000) 2.467 29.483 ( 0.000 2.467 0.000) 2.467 30.700 ( 0.000 -0.764 0.000) 0.764 30.700 ( 0.000 0.764 0.000) 0.764 30.787 ( 0.000 -0.386 0.000) 0.386 30.787 ( 0.000 0.386 0.000) 0.386 30.829 ( 0.000 -0.401 0.000) 0.401 30.829 ( 0.000 0.401 0.000) 0.401 30.890 ( 0.000 -1.019 0.000) 1.019 30.890 ( 0.000 1.019 0.000) 1.019 34.958 ( 0.000 -0.143 0.000) 0.143 34.958 ( 0.000 0.143 0.000) 0.143 36.167 ( 0.000 -0.368 0.000) 0.368 36.167 ( 0.000 0.368 0.000) 0.368 36.723 ( 0.000 -0.028 0.000) 0.028 36.723 ( 0.000 0.028 0.000) 0.028 37.043 ( 0.000 -1.183 0.000) 1.183 37.043 ( 0.000 1.183 0.000) 1.183 48.086 ( 0.000 -0.172 0.000) 0.172 48.086 ( 0.000 0.172 0.000) 0.172 48.123 ( 0.000 -0.079 0.000) 0.079 48.123 ( 0.000 0.079 0.000) 0.079 48.170 ( 0.000 -0.458 0.000) 0.458 48.170 ( 0.000 0.458 0.000) 0.458 48.246 ( 0.000 -0.800 0.000) 0.800 48.246 ( 0.000 0.800 0.000) 0.800 49.607 ( 0.000 -0.168 0.000) 0.168 49.607 ( 0.000 0.168 0.000) 0.168 55.660 ( 0.000 -26.066 0.000) 26.066 55.660 ( 0.000 26.066 0.000) 26.066 85.260 ( 0.000 -3.838 0.000) 3.838 85.260 ( 0.000 3.838 0.000) 3.838 85.281 ( 0.000 -2.647 0.000) 2.647 85.281 ( 0.000 2.647 0.000) 2.647 85.325 ( 0.000 -2.845 0.000) 2.845 85.325 ( 0.000 2.845 0.000) 2.845 85.511 ( 0.000 -1.265 0.000) 1.265 85.511 ( 0.000 1.265 0.000) 1.265 86.364 ( 0.000 -1.849 0.000) 1.849 86.364 ( 0.000 1.849 0.000) 1.849 86.517 ( 0.000 -0.652 0.000) 0.652 86.517 ( 0.000 0.652 0.000) 0.652 86.582 ( 0.000 -0.262 0.000) 0.262 86.582 ( 0.000 0.262 0.000) 0.262 86.898 ( 0.000 -1.896 0.000) 1.896 86.898 ( 0.000 1.896 0.000) 1.896 ======================= Grid point 12 (8/36) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 8.525 -4.573 0.000) 9.674 0.555 ( 8.525 4.573 0.000) 9.674 0.592 ( 13.575 -0.945 0.000) 13.607 0.592 ( 13.575 0.945 0.000) 13.607 0.820 ( -5.891 -0.007 0.000) 5.891 0.820 ( -5.891 0.007 0.000) 5.891 1.092 ( 5.655 -0.016 0.000) 5.655 1.092 ( 5.655 0.016 0.000) 5.655 1.112 ( 4.646 -0.595 0.000) 4.684 1.112 ( 4.646 0.595 0.000) 4.684 1.236 ( -10.723 -4.008 0.000) 11.447 1.236 ( -10.723 4.008 0.000) 11.447 1.368 ( -0.746 -6.978 0.000) 7.018 1.368 ( -0.746 6.978 0.000) 7.018 1.430 ( -3.379 -3.969 0.000) 5.212 1.430 ( -3.379 3.969 0.000) 5.212 1.556 ( 6.377 -4.508 0.000) 7.810 1.556 ( 6.377 4.508 0.000) 7.810 1.562 ( -3.221 -1.062 0.000) 3.392 1.562 ( -3.221 1.062 0.000) 3.392 1.754 ( 0.525 -1.373 0.000) 1.470 1.754 ( 0.525 1.373 0.000) 1.470 1.857 ( 1.465 -2.757 0.000) 3.122 1.857 ( 1.465 2.757 0.000) 3.122 1.887 ( 2.848 -4.393 0.000) 5.235 1.887 ( 2.848 4.393 0.000) 5.235 1.928 ( -4.167 -2.337 0.000) 4.778 1.928 ( -4.167 2.337 0.000) 4.778 1.955 ( -1.946 -0.917 0.000) 2.151 1.955 ( -1.946 0.917 0.000) 2.151 2.086 ( 1.329 -3.490 0.000) 3.735 2.086 ( 1.329 3.490 0.000) 3.735 2.107 ( -1.574 -0.794 0.000) 1.763 2.107 ( -1.574 0.794 0.000) 1.763 2.173 ( -0.897 -1.396 0.000) 1.659 2.173 ( -0.897 1.396 0.000) 1.659 2.229 ( -1.317 -1.486 0.000) 1.986 2.229 ( -1.317 1.486 0.000) 1.986 2.238 ( 0.419 -0.094 0.000) 0.429 2.238 ( 0.419 0.094 0.000) 0.429 2.270 ( -4.518 -6.008 0.000) 7.517 2.270 ( -4.518 6.008 0.000) 7.517 2.369 ( 0.743 -3.124 0.000) 3.211 2.369 ( 0.743 3.124 0.000) 3.211 2.463 ( -0.689 -3.341 0.000) 3.411 2.463 ( -0.689 3.341 0.000) 3.411 2.506 ( -1.417 -1.582 0.000) 2.123 2.506 ( -1.417 1.582 0.000) 2.123 2.513 ( -1.889 -2.504 0.000) 3.136 2.513 ( -1.889 2.504 0.000) 3.136 2.670 ( 1.059 -0.413 0.000) 1.136 2.670 ( 1.059 0.413 0.000) 1.136 2.719 ( 1.927 -3.002 0.000) 3.568 2.719 ( 1.927 3.002 0.000) 3.568 2.760 ( 2.313 -0.844 0.000) 2.462 2.760 ( 2.313 0.844 0.000) 2.462 2.914 ( -1.322 -1.220 0.000) 1.798 2.914 ( -1.322 1.220 0.000) 1.798 2.938 ( -2.536 -0.669 0.000) 2.623 2.938 ( -2.536 0.669 0.000) 2.623 2.969 ( -1.360 -0.734 0.000) 1.545 2.969 ( -1.360 0.734 0.000) 1.545 3.011 ( -1.213 -0.068 0.000) 1.215 3.011 ( -1.213 0.068 0.000) 1.215 3.049 ( -1.172 -1.398 0.000) 1.824 3.049 ( -1.172 1.398 0.000) 1.824 3.090 ( 3.227 -2.417 0.000) 4.032 3.090 ( 3.227 2.417 0.000) 4.032 3.157 ( 1.179 -1.247 0.000) 1.717 3.157 ( 1.179 1.247 0.000) 1.717 3.220 ( 0.209 -0.154 0.000) 0.260 3.220 ( 0.209 0.154 0.000) 0.260 3.270 ( 0.877 -3.061 0.000) 3.185 3.270 ( 0.877 3.061 0.000) 3.185 3.334 ( 4.150 -0.661 0.000) 4.202 3.334 ( 4.150 0.661 0.000) 4.202 3.352 ( 0.910 -3.917 0.000) 4.021 3.352 ( 0.910 3.917 0.000) 4.021 3.410 ( 1.542 -3.693 0.000) 4.002 3.410 ( 1.542 3.693 0.000) 4.002 3.473 ( -2.279 -1.116 0.000) 2.537 3.473 ( -2.279 1.116 0.000) 2.537 3.514 ( -1.142 -0.612 0.000) 1.296 3.514 ( -1.142 0.612 0.000) 1.296 3.574 ( 0.923 -0.988 0.000) 1.352 3.574 ( 0.923 0.988 0.000) 1.352 3.731 ( 2.317 -0.485 0.000) 2.367 3.731 ( 2.317 0.485 0.000) 2.367 3.758 ( -2.396 -2.849 0.000) 3.722 3.758 ( -2.396 2.849 0.000) 3.722 3.942 ( 0.526 -1.599 0.000) 1.684 3.942 ( 0.526 1.599 0.000) 1.684 3.973 ( 5.680 -5.092 0.000) 7.628 3.973 ( 5.680 5.092 0.000) 7.628 4.083 ( -1.124 -2.165 0.000) 2.440 4.083 ( -1.124 2.165 0.000) 2.440 4.219 ( -0.176 -2.795 0.000) 2.800 4.219 ( -0.176 2.795 0.000) 2.800 4.247 ( 0.076 -0.366 0.000) 0.374 4.247 ( 0.076 0.366 0.000) 0.374 4.269 ( -0.803 -1.690 0.000) 1.872 4.269 ( -0.803 1.690 0.000) 1.872 4.333 ( 2.412 -2.645 0.000) 3.580 4.333 ( 2.412 2.645 0.000) 3.580 4.666 ( -1.974 -0.187 0.000) 1.983 4.666 ( -1.974 0.187 0.000) 1.983 4.800 ( -0.534 -0.483 0.000) 0.720 4.800 ( -0.534 0.483 0.000) 0.720 4.819 ( 0.096 -0.423 0.000) 0.434 4.819 ( 0.096 0.423 0.000) 0.434 4.898 ( 0.649 -0.543 0.000) 0.846 4.898 ( 0.649 0.543 0.000) 0.846 4.935 ( -1.247 -0.983 0.000) 1.588 4.935 ( -1.247 0.983 0.000) 1.588 5.008 ( 2.101 -1.862 0.000) 2.807 5.008 ( 2.101 1.862 0.000) 2.807 5.106 ( -0.365 -0.318 0.000) 0.484 5.106 ( -0.365 0.318 0.000) 0.484 5.190 ( -0.868 -0.232 0.000) 0.899 5.190 ( -0.868 0.232 0.000) 0.899 5.358 ( -2.884 -0.991 0.000) 3.050 5.358 ( -2.884 0.991 0.000) 3.050 5.520 ( 2.459 -1.148 0.000) 2.714 5.520 ( 2.459 1.148 0.000) 2.714 5.578 ( 5.674 -1.373 0.000) 5.838 5.578 ( 5.674 1.373 0.000) 5.838 5.838 ( -0.215 -2.975 0.000) 2.982 5.838 ( -0.215 2.975 0.000) 2.982 5.857 ( -4.807 -5.002 0.000) 6.937 5.857 ( -4.807 5.002 0.000) 6.937 6.190 ( 1.499 -0.385 0.000) 1.548 6.190 ( 1.499 0.385 0.000) 1.548 6.406 ( -0.126 -0.247 0.000) 0.277 6.406 ( -0.126 0.247 0.000) 0.277 6.614 ( -2.825 -5.018 0.000) 5.759 6.614 ( -2.825 5.018 0.000) 5.759 10.157 ( 0.863 -1.416 0.000) 1.659 10.157 ( 0.863 1.416 0.000) 1.659 10.197 ( -0.563 -0.254 0.000) 0.617 10.197 ( -0.563 0.254 0.000) 0.617 10.260 ( 0.392 -0.906 0.000) 0.987 10.260 ( 0.392 0.906 0.000) 0.987 10.355 ( -1.275 -0.637 0.000) 1.425 10.355 ( -1.275 0.637 0.000) 1.425 10.583 ( -2.489 -1.417 0.000) 2.865 10.583 ( -2.489 1.417 0.000) 2.865 10.660 ( -0.636 -0.645 0.000) 0.906 10.660 ( -0.636 0.645 0.000) 0.906 10.910 ( 3.938 -0.116 0.000) 3.940 10.910 ( 3.938 0.116 0.000) 3.940 11.016 ( -0.549 -1.127 0.000) 1.254 11.016 ( -0.549 1.127 0.000) 1.254 18.955 ( -0.013 -0.004 0.000) 0.013 18.955 ( -0.013 0.004 0.000) 0.013 19.036 ( -0.376 -0.238 0.000) 0.445 19.036 ( -0.376 0.238 0.000) 0.445 26.995 ( 0.426 -0.454 0.000) 0.623 26.995 ( 0.426 0.454 0.000) 0.623 27.052 ( -0.638 -0.529 0.000) 0.829 27.052 ( -0.638 0.529 0.000) 0.829 27.461 ( 0.646 -0.221 0.000) 0.683 27.461 ( 0.646 0.221 0.000) 0.683 27.498 ( -0.737 -0.065 0.000) 0.740 27.498 ( -0.737 0.065 0.000) 0.740 29.244 ( -0.035 -0.099 0.000) 0.105 29.244 ( -0.035 0.099 0.000) 0.105 29.276 ( -0.134 -0.288 0.000) 0.318 29.276 ( -0.134 0.288 0.000) 0.318 29.323 ( 0.167 -0.099 0.000) 0.194 29.323 ( 0.167 0.099 0.000) 0.194 29.520 ( 2.443 -0.749 0.000) 2.555 29.520 ( 2.443 0.749 0.000) 2.555 30.709 ( 0.864 -0.615 0.000) 1.061 30.709 ( 0.864 0.615 0.000) 1.061 30.775 ( -0.987 -0.383 0.000) 1.059 30.775 ( -0.987 0.383 0.000) 1.059 30.838 ( 0.856 -0.219 0.000) 0.883 30.838 ( 0.856 0.219 0.000) 0.883 30.883 ( -0.644 -0.724 0.000) 0.969 30.883 ( -0.644 0.724 0.000) 0.969 34.958 ( -0.000 -0.101 0.000) 0.101 34.958 ( -0.000 0.101 0.000) 0.101 36.167 ( -0.003 -0.261 0.000) 0.261 36.167 ( -0.003 0.261 0.000) 0.261 36.723 ( -0.021 -0.032 0.000) 0.038 36.723 ( -0.021 0.032 0.000) 0.038 37.063 ( 1.413 -0.274 0.000) 1.439 37.063 ( 1.413 0.274 0.000) 1.439 48.089 ( 0.173 -0.187 0.000) 0.255 48.089 ( 0.173 0.187 0.000) 0.255 48.128 ( 0.407 -0.036 0.000) 0.408 48.128 ( 0.407 0.036 0.000) 0.408 48.164 ( -0.551 -0.244 0.000) 0.603 48.164 ( -0.551 0.244 0.000) 0.603 48.246 ( 0.019 -0.541 0.000) 0.541 48.246 ( 0.019 0.541 0.000) 0.541 49.612 ( 0.340 -0.030 0.000) 0.341 49.612 ( 0.340 0.030 0.000) 0.341 55.137 ( -35.401 -3.230 0.000) 35.548 55.137 ( -35.401 3.230 0.000) 35.548 85.238 ( -1.206 -1.245 0.000) 1.733 85.238 ( -1.206 1.245 0.000) 1.733 85.294 ( 0.527 -0.568 0.000) 0.775 85.294 ( 0.527 0.568 0.000) 0.775 85.328 ( 0.197 -1.642 0.000) 1.653 85.328 ( 0.197 1.642 0.000) 1.653 85.476 ( -2.298 -0.157 0.000) 2.303 85.476 ( -2.298 0.157 0.000) 2.303 86.339 ( -0.963 -1.922 0.000) 2.150 86.339 ( -0.963 1.922 0.000) 2.150 86.519 ( -2.754 -2.259 0.000) 3.563 86.519 ( -2.754 2.259 0.000) 3.563 86.587 ( 2.626 -0.446 0.000) 2.664 86.587 ( 2.626 0.446 0.000) 2.664 86.901 ( 0.021 -0.359 0.000) 0.360 86.901 ( 0.021 0.359 0.000) 0.360 ======================= Grid point 14 (9/36) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 0.000 0.000) 0.000 0.685 ( -0.000 0.000 0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.849 ( -0.000 -0.000 0.000) 0.000 0.849 ( -0.000 0.000 0.000) 0.000 0.968 ( 0.000 0.000 0.000) 0.000 0.968 ( 0.000 0.000 0.000) 0.000 1.156 ( 0.000 0.000 0.000) 0.000 1.156 ( 0.000 0.000 0.000) 0.000 1.270 ( -0.000 0.000 0.000) 0.000 1.270 ( -0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 -0.000 0.000) 0.000 1.384 ( 0.000 -0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.698 ( -0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 -0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 -0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 -0.000 0.000) 0.000 1.884 ( -0.000 -0.000 0.000) 0.000 1.959 ( 0.000 -0.000 0.000) 0.000 1.959 ( 0.000 -0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.146 ( -0.000 -0.000 0.000) 0.000 2.146 ( -0.000 0.000 0.000) 0.000 2.156 ( 0.000 -0.000 0.000) 0.000 2.156 ( 0.000 -0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 -0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 -0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 2.986 ( -0.000 0.000 0.000) 0.000 2.986 ( -0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.152 ( -0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.154 ( -0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 -0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 -0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.485 ( -0.000 -0.000 0.000) 0.000 3.485 ( -0.000 0.000 0.000) 0.000 3.599 ( -0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.249 ( -0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.909 ( -0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.176 ( -0.000 0.000 0.000) 0.000 10.180 ( -0.000 -0.000 0.000) 0.000 10.180 ( 0.000 -0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.335 ( 0.000 0.000 0.000) 0.000 10.335 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 18.955 ( 0.000 0.000 0.000) 0.000 18.955 ( 0.000 0.000 0.000) 0.000 19.032 ( 0.000 0.000 0.000) 0.000 19.032 ( 0.000 0.000 0.000) 0.000 27.001 ( 0.000 0.000 0.000) 0.000 27.001 ( 0.000 0.000 0.000) 0.000 27.044 ( 0.000 0.000 0.000) 0.000 27.044 ( 0.000 0.000 0.000) 0.000 27.478 ( -0.000 0.000 0.000) 0.000 27.478 ( 0.000 0.000 0.000) 0.000 27.480 ( -0.000 0.000 0.000) 0.000 27.480 ( 0.000 0.000 0.000) 0.000 29.244 ( 0.000 0.000 0.000) 0.000 29.244 ( 0.000 0.000 0.000) 0.000 29.275 ( 0.000 0.000 0.000) 0.000 29.275 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.549 ( 0.000 0.000 0.000) 0.000 29.549 ( 0.000 0.000 0.000) 0.000 30.725 ( 0.000 0.000 0.000) 0.000 30.725 ( -0.000 0.000 0.000) 0.000 30.758 ( 0.000 0.000 0.000) 0.000 30.758 ( 0.000 0.000 0.000) 0.000 30.855 ( 0.000 0.000 0.000) 0.000 30.855 ( 0.000 0.000 0.000) 0.000 30.869 ( 0.000 0.000 0.000) 0.000 30.869 ( 0.000 0.000 0.000) 0.000 34.958 ( 0.000 0.000 0.000) 0.000 34.958 ( 0.000 0.000 0.000) 0.000 36.167 ( 0.000 0.000 0.000) 0.000 36.167 ( 0.000 0.000 0.000) 0.000 36.723 ( 0.000 0.000 0.000) 0.000 36.723 ( 0.000 0.000 0.000) 0.000 37.080 ( 0.000 0.000 0.000) 0.000 37.080 ( 0.000 0.000 0.000) 0.000 48.091 ( 0.000 0.000 0.000) 0.000 48.091 ( 0.000 0.000 0.000) 0.000 48.134 ( 0.000 0.000 0.000) 0.000 48.134 ( 0.000 0.000 0.000) 0.000 48.155 ( 0.000 0.000 0.000) 0.000 48.155 ( 0.000 0.000 0.000) 0.000 48.246 ( 0.000 0.000 0.000) 0.000 48.246 ( 0.000 0.000 0.000) 0.000 49.616 ( 0.000 0.000 0.000) 0.000 49.616 ( 0.000 0.000 0.000) 0.000 54.715 ( 0.000 0.000 0.000) 0.000 54.715 ( 0.000 0.000 0.000) 0.000 85.225 ( 0.000 0.000 0.000) 0.000 85.225 ( 0.000 0.000 0.000) 0.000 85.299 ( 0.000 -0.000 0.000) 0.000 85.299 ( 0.000 0.000 0.000) 0.000 85.331 ( 0.000 0.000 0.000) 0.000 85.331 ( 0.000 0.000 0.000) 0.000 85.449 ( 0.000 0.000 0.000) 0.000 85.449 ( 0.000 0.000 0.000) 0.000 86.334 ( 0.000 0.000 0.000) 0.000 86.334 ( 0.000 0.000 0.000) 0.000 86.477 ( 0.000 0.000 0.000) 0.000 86.477 ( 0.000 0.000 0.000) 0.000 86.622 ( 0.000 0.000 0.000) 0.000 86.622 ( 0.000 0.000 0.000) 0.000 86.899 ( 0.000 0.000 0.000) 0.000 86.899 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 25 (10/36) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 0.000 13.444) 13.444 0.290 ( 0.000 0.000 14.029) 14.029 0.465 ( 0.000 0.000 16.213) 16.213 0.730 ( 0.000 0.000 33.385) 33.385 0.783 ( 0.000 0.000 13.097) 13.097 0.875 ( 0.000 0.000 2.394) 2.394 1.089 ( 0.000 0.000 -1.623) 1.623 1.090 ( 0.000 0.000 5.124) 5.124 1.204 ( 0.000 0.000 3.125) 3.125 1.246 ( 0.000 0.000 4.959) 4.959 1.246 ( 0.000 0.000 -0.533) 0.533 1.288 ( 0.000 0.000 4.801) 4.801 1.292 ( 0.000 0.000 2.035) 2.035 1.317 ( 0.000 0.000 6.996) 6.996 1.404 ( 0.000 0.000 8.950) 8.950 1.486 ( 0.000 0.000 -6.204) 6.204 1.573 ( 0.000 0.000 2.219) 2.219 1.581 ( 0.000 0.000 -4.831) 4.831 1.675 ( 0.000 0.000 -7.860) 7.860 1.683 ( 0.000 0.000 3.941) 3.941 1.740 ( 0.000 0.000 2.125) 2.125 1.775 ( 0.000 0.000 -2.797) 2.797 1.795 ( 0.000 0.000 3.881) 3.881 1.845 ( 0.000 0.000 -1.120) 1.120 1.875 ( 0.000 0.000 0.110) 0.110 1.901 ( 0.000 0.000 -1.046) 1.046 1.961 ( 0.000 0.000 -2.404) 2.404 1.973 ( 0.000 0.000 -0.560) 0.560 1.985 ( 0.000 0.000 -1.089) 1.089 2.002 ( 0.000 0.000 1.208) 1.208 2.047 ( 0.000 0.000 -1.061) 1.061 2.122 ( 0.000 0.000 -7.149) 7.149 2.127 ( 0.000 0.000 3.884) 3.884 2.134 ( 0.000 0.000 -1.560) 1.560 2.152 ( 0.000 0.000 0.429) 0.429 2.156 ( 0.000 0.000 0.517) 0.517 2.171 ( 0.000 0.000 -4.386) 4.386 2.214 ( 0.000 0.000 -0.325) 0.325 2.266 ( 0.000 0.000 5.838) 5.838 2.294 ( 0.000 0.000 -2.006) 2.006 2.352 ( 0.000 0.000 -2.807) 2.807 2.361 ( 0.000 0.000 4.870) 4.870 2.411 ( 0.000 0.000 -1.981) 1.981 2.427 ( 0.000 0.000 -3.633) 3.633 2.455 ( 0.000 0.000 2.840) 2.840 2.475 ( 0.000 0.000 -3.035) 3.035 2.524 ( 0.000 0.000 2.728) 2.728 2.562 ( 0.000 0.000 -0.586) 0.586 2.567 ( 0.000 0.000 -1.288) 1.288 2.591 ( 0.000 0.000 3.621) 3.621 2.617 ( 0.000 0.000 1.599) 1.599 2.665 ( 0.000 0.000 -0.882) 0.882 2.727 ( 0.000 0.000 6.105) 6.105 2.739 ( 0.000 0.000 -2.605) 2.605 2.761 ( 0.000 0.000 -2.761) 2.761 2.763 ( 0.000 0.000 0.188) 0.188 2.876 ( 0.000 0.000 1.396) 1.396 2.888 ( 0.000 0.000 -0.920) 0.920 2.896 ( 0.000 0.000 0.448) 0.448 2.936 ( 0.000 0.000 -1.849) 1.849 2.974 ( 0.000 0.000 1.140) 1.140 2.980 ( 0.000 0.000 0.600) 0.600 3.030 ( 0.000 0.000 1.233) 1.233 3.038 ( 0.000 0.000 0.686) 0.686 3.049 ( 0.000 0.000 2.533) 2.533 3.065 ( 0.000 0.000 -2.193) 2.193 3.109 ( 0.000 0.000 -0.460) 0.460 3.113 ( 0.000 0.000 4.931) 4.931 3.155 ( 0.000 0.000 3.940) 3.940 3.158 ( 0.000 0.000 -1.396) 1.396 3.166 ( 0.000 0.000 2.060) 2.060 3.213 ( 0.000 0.000 2.973) 2.973 3.257 ( 0.000 0.000 3.143) 3.143 3.286 ( 0.000 0.000 0.428) 0.428 3.300 ( 0.000 0.000 3.431) 3.431 3.302 ( 0.000 0.000 4.009) 4.009 3.309 ( 0.000 0.000 1.866) 1.866 3.314 ( 0.000 0.000 7.280) 7.280 3.425 ( 0.000 0.000 5.380) 5.380 3.439 ( 0.000 0.000 -2.455) 2.455 3.499 ( 0.000 0.000 1.729) 1.729 3.523 ( 0.000 0.000 1.844) 1.844 3.534 ( 0.000 0.000 0.354) 0.354 3.580 ( 0.000 0.000 2.255) 2.255 3.612 ( 0.000 0.000 -4.006) 4.006 3.619 ( 0.000 0.000 3.403) 3.403 3.620 ( 0.000 0.000 -1.173) 1.173 3.756 ( 0.000 0.000 2.604) 2.604 3.796 ( 0.000 0.000 -2.312) 2.312 3.803 ( 0.000 0.000 -1.809) 1.809 3.849 ( 0.000 0.000 -0.426) 0.426 3.938 ( 0.000 0.000 1.349) 1.349 3.944 ( 0.000 0.000 0.147) 0.147 4.043 ( 0.000 0.000 1.971) 1.971 4.055 ( 0.000 0.000 -1.220) 1.220 4.140 ( 0.000 0.000 -3.141) 3.141 4.162 ( 0.000 0.000 0.102) 0.102 4.164 ( 0.000 0.000 -2.165) 2.165 4.193 ( 0.000 0.000 -3.184) 3.184 4.214 ( 0.000 0.000 -3.805) 3.805 4.232 ( 0.000 0.000 -3.776) 3.776 4.263 ( 0.000 0.000 -2.491) 2.491 4.270 ( 0.000 0.000 -1.345) 1.345 4.594 ( 0.000 0.000 -0.563) 0.563 4.611 ( 0.000 0.000 -5.717) 5.717 4.619 ( 0.000 0.000 -11.299) 11.299 4.651 ( 0.000 0.000 -5.707) 5.707 4.795 ( 0.000 0.000 3.194) 3.194 4.800 ( 0.000 0.000 0.717) 0.717 4.808 ( 0.000 0.000 -3.106) 3.106 4.826 ( 0.000 0.000 -1.876) 1.876 4.862 ( 0.000 0.000 -0.223) 0.223 4.905 ( 0.000 0.000 0.354) 0.354 4.915 ( 0.000 0.000 0.096) 0.096 5.025 ( 0.000 0.000 -1.399) 1.399 5.048 ( 0.000 0.000 -1.243) 1.243 5.115 ( 0.000 0.000 -0.476) 0.476 5.185 ( 0.000 0.000 1.409) 1.409 5.185 ( 0.000 0.000 -7.828) 7.828 5.275 ( 0.000 0.000 6.871) 6.871 5.289 ( 0.000 0.000 6.316) 6.316 5.351 ( 0.000 0.000 1.221) 1.221 5.450 ( 0.000 0.000 -2.198) 2.198 5.508 ( 0.000 0.000 -3.934) 3.934 5.540 ( 0.000 0.000 1.811) 1.811 5.690 ( 0.000 0.000 6.067) 6.067 5.721 ( 0.000 0.000 -0.936) 0.936 5.787 ( 0.000 0.000 -0.625) 0.625 5.801 ( 0.000 0.000 0.265) 0.265 6.038 ( 0.000 0.000 -3.429) 3.429 6.054 ( 0.000 0.000 -3.417) 3.417 6.110 ( 0.000 0.000 -6.039) 6.039 6.197 ( 0.000 0.000 -6.782) 6.782 6.317 ( 0.000 0.000 -5.050) 5.050 6.375 ( 0.000 0.000 -2.250) 2.250 6.619 ( 0.000 0.000 -4.311) 4.311 10.142 ( 0.000 0.000 3.354) 3.354 10.222 ( 0.000 0.000 2.977) 2.977 10.235 ( 0.000 0.000 2.625) 2.625 10.235 ( 0.000 0.000 3.711) 3.711 10.282 ( 0.000 0.000 2.100) 2.100 10.358 ( 0.000 0.000 -0.869) 0.869 10.386 ( 0.000 0.000 5.134) 5.134 10.497 ( 0.000 0.000 0.349) 0.349 10.531 ( 0.000 0.000 4.728) 4.728 10.648 ( 0.000 0.000 0.724) 0.724 10.750 ( 0.000 0.000 6.599) 6.599 10.798 ( 0.000 0.000 -0.114) 0.114 10.934 ( 0.000 0.000 -1.259) 1.259 10.958 ( 0.000 0.000 1.796) 1.796 11.055 ( 0.000 0.000 0.637) 0.637 11.442 ( 0.000 0.000 -2.596) 2.596 18.956 ( 0.000 0.000 0.292) 0.292 18.962 ( 0.000 0.000 0.513) 0.513 19.033 ( 0.000 0.000 -0.494) 0.494 19.040 ( 0.000 0.000 -0.889) 0.889 27.011 ( 0.000 0.000 3.091) 3.091 27.038 ( 0.000 0.000 3.551) 3.551 27.038 ( 0.000 0.000 3.823) 3.823 27.400 ( 0.000 0.000 -1.540) 1.540 27.451 ( 0.000 0.000 -0.905) 0.905 27.455 ( 0.000 0.000 0.380) 0.380 27.497 ( 0.000 0.000 -1.255) 1.255 27.503 ( 0.000 0.000 -0.176) 0.176 29.249 ( 0.000 0.000 1.143) 1.143 29.254 ( 0.000 0.000 0.052) 0.052 29.257 ( 0.000 0.000 0.482) 0.482 29.301 ( 0.000 0.000 -0.694) 0.694 29.306 ( 0.000 0.000 0.697) 0.697 29.306 ( 0.000 0.000 -0.005) 0.005 29.342 ( 0.000 0.000 0.559) 0.559 29.663 ( 0.000 0.000 -4.233) 4.233 30.686 ( 0.000 0.000 0.243) 0.243 30.714 ( 0.000 0.000 0.070) 0.070 30.794 ( 0.000 0.000 1.911) 1.911 30.799 ( 0.000 0.000 0.564) 0.564 30.805 ( 0.000 0.000 -1.322) 1.322 30.819 ( 0.000 0.000 -1.528) 1.528 30.869 ( 0.000 0.000 0.175) 0.175 30.922 ( 0.000 0.000 0.644) 0.644 35.044 ( 0.000 0.000 7.777) 7.777 35.153 ( 0.000 0.000 6.155) 6.155 36.114 ( 0.000 0.000 -4.319) 4.319 36.131 ( 0.000 0.000 -4.352) 4.352 36.733 ( 0.000 0.000 1.176) 1.176 36.739 ( 0.000 0.000 1.385) 1.385 37.000 ( 0.000 0.000 -1.552) 1.552 37.047 ( 0.000 0.000 -2.379) 2.379 48.078 ( 0.000 0.000 0.179) 0.179 48.089 ( 0.000 0.000 0.434) 0.434 48.120 ( 0.000 0.000 -0.082) 0.082 48.127 ( 0.000 0.000 0.713) 0.713 48.148 ( 0.000 0.000 -0.493) 0.493 48.176 ( 0.000 0.000 0.186) 0.186 48.230 ( 0.000 0.000 -0.461) 0.461 48.263 ( 0.000 0.000 -0.762) 0.762 49.764 ( 0.000 0.000 15.581) 15.581 49.778 ( 0.000 0.000 16.433) 16.433 53.121 ( 0.000 0.000 -21.122) 21.122 54.526 ( 0.000 0.000 -43.366) 43.366 85.222 ( 0.000 0.000 0.733) 0.733 85.228 ( 0.000 0.000 0.827) 0.827 85.230 ( 0.000 0.000 4.306) 4.306 85.276 ( 0.000 0.000 2.385) 2.385 85.435 ( 0.000 0.000 7.853) 7.853 85.496 ( 0.000 0.000 9.981) 9.981 85.520 ( 0.000 0.000 6.934) 6.934 86.286 ( 0.000 0.000 -0.211) 0.211 86.393 ( 0.000 0.000 -0.799) 0.799 86.485 ( 0.000 0.000 -1.561) 1.561 86.490 ( 0.000 0.000 9.082) 9.082 86.490 ( 0.000 0.000 -2.652) 2.652 86.619 ( 0.000 0.000 -2.698) 2.698 86.643 ( 0.000 0.000 7.019) 7.019 86.669 ( 0.000 0.000 5.411) 5.411 87.833 ( 0.000 0.000 -6.535) 6.535 ======================= Grid point 26 (11/36) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 11.123 0.000 9.132) 14.391 0.462 ( 11.305 0.000 10.718) 15.578 0.548 ( 7.403 0.000 10.164) 12.574 0.841 ( 0.901 0.000 2.751) 2.895 0.905 ( -7.361 0.000 6.777) 10.006 0.922 ( 6.812 0.000 8.548) 10.930 0.931 ( 14.433 0.000 21.325) 25.750 1.117 ( -8.637 0.000 0.209) 8.640 1.215 ( 2.135 0.000 5.188) 5.610 1.238 ( 1.307 0.000 2.898) 3.179 1.271 ( 2.808 0.000 5.173) 5.886 1.285 ( 0.250 0.000 5.989) 5.994 1.343 ( 4.336 0.000 4.583) 6.309 1.360 ( 1.603 0.000 2.843) 3.264 1.422 ( -10.179 0.000 2.089) 10.392 1.456 ( 6.617 0.000 1.069) 6.703 1.493 ( 1.782 0.000 -4.144) 4.511 1.508 ( -3.886 0.000 -4.061) 5.621 1.579 ( -2.819 0.000 2.750) 3.938 1.657 ( -5.760 0.000 1.617) 5.982 1.758 ( -2.155 0.000 -1.862) 2.849 1.807 ( 0.248 0.000 2.922) 2.933 1.815 ( -0.605 0.000 3.543) 3.594 1.868 ( 3.644 0.000 -1.047) 3.791 1.882 ( -5.777 0.000 -0.887) 5.845 1.921 ( -3.933 0.000 -0.271) 3.942 1.922 ( -2.152 0.000 -1.363) 2.547 1.961 ( -2.235 0.000 0.236) 2.247 1.985 ( -2.729 0.000 -3.762) 4.648 2.012 ( -6.744 0.000 -2.421) 7.165 2.019 ( 8.160 0.000 -3.803) 9.003 2.054 ( 0.796 0.000 2.982) 3.087 2.094 ( -1.254 0.000 -0.918) 1.554 2.118 ( -2.032 0.000 0.488) 2.090 2.161 ( 2.732 0.000 -3.934) 4.790 2.162 ( 2.334 0.000 1.510) 2.780 2.165 ( -1.508 0.000 -4.000) 4.275 2.174 ( -0.548 0.000 -0.130) 0.564 2.293 ( 0.899 0.000 3.804) 3.909 2.297 ( -4.163 0.000 -1.871) 4.564 2.327 ( -3.501 0.000 3.160) 4.716 2.327 ( 1.933 0.000 -0.175) 1.941 2.376 ( -1.875 0.000 -3.339) 3.829 2.429 ( 1.286 0.000 -1.379) 1.886 2.431 ( -0.938 0.000 -3.646) 3.765 2.488 ( 0.028 0.000 -3.073) 3.073 2.535 ( 0.264 0.000 1.577) 1.599 2.545 ( -0.632 0.000 -0.909) 1.107 2.553 ( -0.008 0.000 0.357) 0.357 2.580 ( -0.078 0.000 1.283) 1.285 2.668 ( 1.813 0.000 3.310) 3.774 2.693 ( -0.925 0.000 3.140) 3.273 2.739 ( 0.081 0.000 -1.994) 1.996 2.795 ( 6.111 0.000 0.997) 6.191 2.795 ( 2.342 0.000 -0.480) 2.390 2.819 ( 3.611 0.000 0.304) 3.623 2.860 ( -1.107 0.000 2.548) 2.778 2.884 ( -1.588 0.000 0.259) 1.609 2.886 ( -0.029 0.000 -0.596) 0.597 2.930 ( -0.682 0.000 -0.596) 0.906 2.932 ( -3.094 0.000 0.349) 3.114 2.942 ( -2.314 0.000 0.712) 2.421 2.970 ( -1.245 0.000 -0.018) 1.245 3.013 ( -3.212 0.000 3.642) 4.856 3.084 ( 2.619 0.000 2.708) 3.767 3.096 ( 1.515 0.000 -0.547) 1.611 3.143 ( -1.358 0.000 2.099) 2.500 3.155 ( 2.087 0.000 2.248) 3.068 3.168 ( 1.876 0.000 0.630) 1.979 3.170 ( 4.516 0.000 -0.046) 4.517 3.192 ( 1.528 0.000 1.042) 1.850 3.232 ( 0.189 0.000 3.176) 3.182 3.255 ( 0.552 0.000 1.601) 1.694 3.265 ( -1.273 0.000 1.725) 2.144 3.288 ( 0.221 0.000 3.875) 3.882 3.306 ( 0.304 0.000 2.581) 2.598 3.328 ( 0.193 0.000 5.117) 5.120 3.366 ( 3.532 0.000 3.124) 4.716 3.440 ( 0.528 0.000 2.286) 2.347 3.463 ( 1.837 0.000 -0.083) 1.839 3.481 ( -2.471 0.000 1.770) 3.040 3.516 ( -0.591 0.000 1.435) 1.552 3.534 ( -2.190 0.000 -0.943) 2.385 3.557 ( 2.147 0.000 -0.303) 2.168 3.586 ( -0.858 0.000 2.014) 2.189 3.647 ( 1.012 0.000 -1.020) 1.437 3.680 ( 3.468 0.000 1.892) 3.950 3.704 ( -1.012 0.000 1.100) 1.495 3.785 ( -1.082 0.000 -1.589) 1.923 3.824 ( 1.388 0.000 -2.231) 2.628 3.852 ( 0.119 0.000 -0.698) 0.708 3.901 ( -6.630 0.000 1.428) 6.783 3.942 ( 0.534 0.000 0.543) 0.762 4.021 ( -2.689 0.000 -1.140) 2.921 4.026 ( 3.631 0.000 -1.816) 4.060 4.147 ( -1.583 0.000 -2.534) 2.988 4.174 ( 0.894 0.000 -1.082) 1.403 4.196 ( 0.128 0.000 -3.263) 3.266 4.203 ( 0.668 0.000 -4.666) 4.714 4.233 ( 0.163 0.000 -3.244) 3.248 4.252 ( -1.391 0.000 -2.012) 2.446 4.257 ( -0.532 0.000 -2.266) 2.328 4.327 ( 8.485 0.000 -2.178) 8.760 4.545 ( -3.113 0.000 -3.923) 5.008 4.602 ( 0.700 0.000 -0.841) 1.094 4.642 ( -0.826 0.000 -4.614) 4.687 4.718 ( 5.167 0.000 -8.865) 10.261 4.783 ( -0.849 0.000 -0.932) 1.261 4.800 ( 0.597 0.000 2.541) 2.611 4.806 ( -1.206 0.000 0.553) 1.327 4.820 ( 0.840 0.000 -3.745) 3.838 4.895 ( 1.772 0.000 -0.856) 1.967 4.906 ( -0.671 0.000 0.275) 0.725 4.911 ( 0.585 0.000 0.007) 0.585 4.983 ( -3.067 0.000 -1.369) 3.359 5.021 ( -7.622 0.000 6.250) 9.858 5.104 ( -0.419 0.000 -4.118) 4.139 5.125 ( 1.009 0.000 -0.221) 1.033 5.187 ( -0.256 0.000 0.849) 0.887 5.188 ( -3.019 0.000 -8.145) 8.687 5.252 ( -1.675 0.000 6.418) 6.633 5.270 ( -0.914 0.000 5.800) 5.871 5.520 ( 2.842 0.000 2.713) 3.929 5.566 ( 4.373 0.000 -2.922) 5.260 5.596 ( 0.031 0.000 1.464) 1.464 5.713 ( -1.524 0.000 -2.209) 2.683 5.751 ( 3.516 0.000 2.427) 4.272 5.827 ( 4.066 0.000 -0.193) 4.071 5.879 ( 0.739 0.000 -4.280) 4.343 6.023 ( -3.036 0.000 -2.768) 4.108 6.090 ( 3.597 0.000 -7.520) 8.336 6.141 ( 2.333 0.000 -6.386) 6.799 6.238 ( 5.261 0.000 -8.097) 9.656 6.317 ( 0.228 0.000 -4.705) 4.710 6.361 ( -1.249 0.000 -2.660) 2.939 6.541 ( -6.325 0.000 -4.002) 7.485 10.169 ( 2.291 0.000 3.228) 3.959 10.220 ( -0.116 0.000 2.958) 2.960 10.228 ( -0.458 0.000 3.370) 3.401 10.237 ( 0.014 0.000 2.819) 2.820 10.299 ( 1.401 0.000 1.965) 2.414 10.352 ( -0.638 0.000 -0.338) 0.722 10.376 ( -0.714 0.000 5.200) 5.248 10.445 ( -4.385 0.000 3.854) 5.837 10.540 ( 0.973 0.000 4.266) 4.376 10.622 ( -2.191 0.000 1.495) 2.653 10.734 ( -0.586 0.000 6.308) 6.335 10.791 ( -1.483 0.000 5.681) 5.871 10.941 ( 0.710 0.000 -1.158) 1.358 10.977 ( 1.589 0.000 1.456) 2.156 11.044 ( -1.050 0.000 0.725) 1.276 11.105 ( -14.432 0.000 11.066) 18.186 18.957 ( 0.087 0.000 0.323) 0.334 18.962 ( -0.077 0.000 0.479) 0.485 19.032 ( -0.053 0.000 -0.510) 0.513 19.037 ( -0.257 0.000 -0.779) 0.820 27.016 ( 0.389 0.000 3.192) 3.216 27.034 ( -0.319 0.000 3.715) 3.728 27.060 ( 1.997 0.000 3.680) 4.187 27.239 ( -8.678 0.000 7.872) 11.716 27.446 ( 0.669 0.000 -0.941) 1.154 27.458 ( 0.640 0.000 -0.810) 1.032 27.488 ( -0.821 0.000 -1.198) 1.452 27.495 ( -0.731 0.000 -0.292) 0.787 29.244 ( -0.256 0.000 0.403) 0.477 29.247 ( -0.196 0.000 1.064) 1.082 29.274 ( 0.963 0.000 0.259) 0.997 29.303 ( -0.300 0.000 0.596) 0.667 29.306 ( 0.043 0.000 -0.022) 0.048 29.317 ( -0.358 0.000 -0.491) 0.607 29.457 ( 7.079 0.000 -5.361) 8.879 29.632 ( -2.492 0.000 -3.630) 4.403 30.700 ( 1.297 0.000 0.350) 1.343 30.724 ( 0.969 0.000 0.017) 0.969 30.775 ( -1.641 0.000 1.271) 2.076 30.780 ( -1.246 0.000 -0.133) 1.253 30.829 ( 1.686 0.000 -0.396) 1.732 30.833 ( 0.953 0.000 -1.023) 1.399 30.866 ( -0.400 0.000 -0.146) 0.426 30.907 ( -1.372 0.000 0.474) 1.451 35.045 ( 0.140 0.000 7.934) 7.935 35.088 ( -2.993 0.000 9.537) 9.996 36.116 ( 0.220 0.000 -4.328) 4.333 36.128 ( -0.233 0.000 -4.351) 4.357 36.734 ( 0.090 0.000 1.212) 1.216 36.738 ( -0.077 0.000 1.360) 1.362 37.058 ( 1.081 0.000 -2.933) 3.126 37.062 ( 2.267 0.000 -4.756) 5.268 48.082 ( 0.258 0.000 0.215) 0.336 48.091 ( 0.015 0.000 0.007) 0.017 48.124 ( 0.363 0.000 -0.120) 0.383 48.134 ( 0.623 0.000 0.579) 0.850 48.144 ( -0.389 0.000 -0.404) 0.561 48.165 ( -0.773 0.000 0.518) 0.930 48.234 ( 0.427 0.000 -0.525) 0.677 48.258 ( -0.459 0.000 -0.731) 0.863 49.779 ( 0.628 0.000 15.386) 15.399 49.789 ( 0.616 0.000 15.192) 15.204 53.289 ( 15.858 0.000 -23.469) 28.325 54.277 ( -22.006 0.000 -38.995) 44.776 85.229 ( 0.514 0.000 2.066) 2.129 85.234 ( 0.297 0.000 3.033) 3.048 85.236 ( 0.672 0.000 0.995) 1.201 85.270 ( -0.621 0.000 2.087) 2.177 85.478 ( 4.367 0.000 9.675) 10.615 85.502 ( 0.537 0.000 9.757) 9.772 85.520 ( -0.070 0.000 7.613) 7.613 86.039 ( -27.636 0.000 23.491) 36.271 86.282 ( 0.003 0.000 0.741) 0.741 86.378 ( -4.759 0.000 3.082) 5.670 86.428 ( 2.123 0.000 -0.722) 2.242 86.536 ( -1.805 0.000 -3.014) 3.513 86.587 ( 3.866 0.000 3.753) 5.388 86.649 ( 0.294 0.000 5.940) 5.947 86.846 ( 6.918 0.000 0.425) 6.931 87.282 ( -22.600 0.000 15.121) 27.193 ======================= Grid point 27 (12/36) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -5.487 0.000 6.353) 8.394 0.616 ( 5.487 0.000 6.353) 8.394 0.692 ( -10.861 0.000 7.275) 13.072 0.692 ( 10.861 0.000 7.275) 13.072 0.892 ( -8.771 0.000 -0.463) 8.783 0.892 ( 8.771 0.000 -0.463) 8.783 1.143 ( -11.624 0.000 6.184) 13.166 1.143 ( 11.624 0.000 6.184) 13.166 1.181 ( -4.003 0.000 14.991) 15.516 1.181 ( 4.003 0.000 14.991) 15.516 1.316 ( -1.892 0.000 -1.115) 2.196 1.316 ( 1.892 0.000 -1.115) 2.196 1.408 ( -5.526 0.000 1.062) 5.627 1.408 ( 5.526 0.000 1.062) 5.627 1.464 ( -15.835 0.000 5.230) 16.677 1.464 ( 15.835 0.000 5.230) 16.677 1.482 ( -6.379 0.000 5.566) 8.466 1.482 ( 6.379 0.000 5.566) 8.466 1.571 ( -6.525 0.000 0.026) 6.525 1.571 ( 6.525 0.000 0.026) 6.525 1.661 ( -7.582 0.000 0.080) 7.583 1.661 ( 7.582 0.000 0.080) 7.583 1.835 ( -3.613 0.000 0.013) 3.613 1.835 ( 3.613 0.000 0.013) 3.613 1.863 ( -3.677 0.000 -4.795) 6.042 1.863 ( 3.677 0.000 -4.795) 6.042 1.913 ( -2.358 0.000 0.628) 2.440 1.913 ( 2.358 0.000 0.628) 2.440 1.960 ( -1.823 0.000 1.178) 2.171 1.960 ( 1.823 0.000 1.178) 2.171 2.085 ( -1.271 0.000 0.745) 1.473 2.085 ( 1.271 0.000 0.745) 1.473 2.109 ( -2.938 0.000 -3.502) 4.571 2.109 ( 2.938 0.000 -3.502) 4.571 2.181 ( -3.103 0.000 -0.968) 3.251 2.181 ( 3.103 0.000 -0.968) 3.251 2.204 ( -3.653 0.000 -1.763) 4.056 2.204 ( 3.653 0.000 -1.763) 4.056 2.245 ( -4.365 0.000 -0.270) 4.374 2.245 ( 4.365 0.000 -0.270) 4.374 2.308 ( -2.167 0.000 0.004) 2.167 2.308 ( 2.167 0.000 0.004) 2.167 2.389 ( -2.292 0.000 -2.839) 3.649 2.389 ( 2.292 0.000 -2.839) 3.649 2.472 ( -1.741 0.000 -2.537) 3.077 2.472 ( 1.741 0.000 -2.537) 3.077 2.545 ( -0.946 0.000 0.060) 0.947 2.545 ( 0.946 0.000 0.060) 0.947 2.556 ( -1.514 0.000 0.415) 1.569 2.556 ( 1.514 0.000 0.415) 1.569 2.686 ( -0.214 0.000 2.821) 2.829 2.686 ( 0.214 0.000 2.821) 2.829 2.781 ( -3.506 0.000 0.937) 3.629 2.781 ( 3.506 0.000 0.937) 3.629 2.848 ( -0.275 0.000 2.661) 2.675 2.848 ( 0.275 0.000 2.661) 2.675 2.867 ( -1.610 0.000 0.415) 1.663 2.867 ( 1.610 0.000 0.415) 1.663 2.898 ( -2.438 0.000 0.209) 2.447 2.898 ( 2.438 0.000 0.209) 2.447 2.919 ( -0.717 0.000 -0.158) 0.734 2.919 ( 0.717 0.000 -0.158) 0.734 2.963 ( -1.293 0.000 0.987) 1.627 2.963 ( 1.293 0.000 0.987) 1.627 3.115 ( -0.976 0.000 1.380) 1.690 3.115 ( 0.976 0.000 1.380) 1.690 3.140 ( -2.547 0.000 3.293) 4.163 3.140 ( 2.547 0.000 3.293) 4.163 3.214 ( -1.246 0.000 0.708) 1.433 3.214 ( 1.246 0.000 0.708) 1.433 3.225 ( -2.662 0.000 1.236) 2.935 3.225 ( 2.662 0.000 1.236) 2.935 3.254 ( -1.333 0.000 1.685) 2.149 3.254 ( 1.333 0.000 1.685) 2.149 3.310 ( -1.487 0.000 5.065) 5.279 3.310 ( 1.487 0.000 5.065) 5.279 3.371 ( -5.904 0.000 -0.396) 5.917 3.371 ( 5.904 0.000 -0.396) 5.917 3.426 ( -1.780 0.000 0.917) 2.002 3.426 ( 1.780 0.000 0.917) 2.002 3.499 ( -1.153 0.000 2.007) 2.315 3.499 ( 1.153 0.000 2.007) 2.315 3.554 ( -2.054 0.000 3.037) 3.666 3.554 ( 2.054 0.000 3.037) 3.666 3.612 ( -2.796 0.000 -0.172) 2.801 3.612 ( 2.796 0.000 -0.172) 2.801 3.747 ( -2.675 0.000 0.294) 2.691 3.747 ( 2.675 0.000 0.294) 2.691 3.771 ( -5.518 0.000 -0.915) 5.593 3.771 ( 5.518 0.000 -0.915) 5.593 3.846 ( -0.704 0.000 -1.712) 1.851 3.846 ( 0.704 0.000 -1.712) 1.851 3.968 ( -2.025 0.000 -0.748) 2.158 3.968 ( 2.025 0.000 -0.748) 2.158 4.097 ( -3.056 0.000 -1.606) 3.453 4.097 ( 3.056 0.000 -1.606) 3.453 4.191 ( -0.623 0.000 -3.029) 3.093 4.191 ( 0.623 0.000 -3.029) 3.093 4.223 ( -1.278 0.000 -3.540) 3.764 4.223 ( 1.278 0.000 -3.540) 3.764 4.243 ( -0.761 0.000 -2.112) 2.245 4.243 ( 0.761 0.000 -2.112) 2.245 4.465 ( -4.969 0.000 -2.032) 5.369 4.465 ( 4.969 0.000 -2.032) 5.369 4.621 ( -1.081 0.000 -2.297) 2.539 4.621 ( 1.081 0.000 -2.297) 2.539 4.783 ( -0.757 0.000 -0.191) 0.781 4.783 ( 0.757 0.000 -0.191) 0.781 4.804 ( -1.604 0.000 0.468) 1.671 4.804 ( 1.604 0.000 0.468) 1.671 4.850 ( -3.828 0.000 -4.434) 5.858 4.850 ( 3.828 0.000 -4.434) 5.858 4.917 ( -0.330 0.000 -0.606) 0.690 4.917 ( 0.330 0.000 -0.606) 0.690 4.938 ( -1.596 0.000 1.336) 2.081 4.938 ( 1.596 0.000 1.336) 2.081 5.137 ( -2.154 0.000 -6.466) 6.815 5.137 ( 2.154 0.000 -6.466) 6.815 5.157 ( -2.019 0.000 0.430) 2.064 5.157 ( 2.019 0.000 0.430) 2.064 5.249 ( -0.918 0.000 5.725) 5.798 5.249 ( 0.918 0.000 5.725) 5.798 5.573 ( -1.990 0.000 1.859) 2.723 5.573 ( 1.990 0.000 1.859) 2.723 5.655 ( -3.814 0.000 -2.558) 4.593 5.655 ( 3.814 0.000 -2.558) 4.593 5.830 ( -3.847 0.000 0.408) 3.868 5.830 ( 3.847 0.000 0.408) 3.868 5.933 ( -5.350 0.000 -1.412) 5.533 5.933 ( 5.350 0.000 -1.412) 5.533 6.141 ( -1.680 0.000 -7.685) 7.867 6.141 ( 1.680 0.000 -7.685) 7.867 6.333 ( -1.250 0.000 -3.693) 3.899 6.333 ( 1.250 0.000 -3.693) 3.899 6.392 ( -7.750 0.000 -6.342) 10.014 6.392 ( 7.750 0.000 -6.342) 10.014 10.219 ( -2.014 0.000 3.379) 3.933 10.219 ( 2.014 0.000 3.379) 3.933 10.221 ( -0.201 0.000 3.043) 3.049 10.221 ( 0.201 0.000 3.043) 3.049 10.330 ( -1.403 0.000 0.976) 1.709 10.330 ( 1.403 0.000 0.976) 1.709 10.375 ( -1.366 0.000 5.761) 5.921 10.375 ( 1.366 0.000 5.761) 5.921 10.573 ( -2.198 0.000 2.979) 3.702 10.573 ( 2.198 0.000 2.979) 3.702 10.747 ( -1.811 0.000 7.983) 8.186 10.747 ( 1.811 0.000 7.983) 8.186 10.968 ( -2.303 0.000 0.991) 2.507 10.968 ( 2.303 0.000 0.991) 2.507 11.013 ( -1.757 0.000 0.991) 2.017 11.013 ( 1.757 0.000 0.991) 2.017 18.959 ( -0.116 0.000 0.399) 0.416 18.959 ( 0.116 0.000 0.399) 0.416 19.033 ( -0.122 0.000 -0.598) 0.610 19.033 ( 0.122 0.000 -0.598) 0.610 27.025 ( -0.502 0.000 3.449) 3.485 27.025 ( 0.502 0.000 3.449) 3.485 27.118 ( -3.810 0.000 5.421) 6.626 27.118 ( 3.810 0.000 5.421) 6.626 27.467 ( -1.155 0.000 -1.165) 1.640 27.467 ( 1.155 0.000 -1.165) 1.640 27.476 ( -0.979 0.000 -0.561) 1.128 27.476 ( 0.979 0.000 -0.561) 1.128 29.243 ( -0.119 0.000 0.742) 0.752 29.243 ( 0.119 0.000 0.742) 0.752 29.292 ( -0.705 0.000 0.393) 0.807 29.292 ( 0.705 0.000 0.393) 0.807 29.309 ( -0.278 0.000 -0.082) 0.290 29.309 ( 0.278 0.000 -0.082) 0.290 29.566 ( -3.949 0.000 -4.337) 5.866 29.566 ( 3.949 0.000 -4.337) 5.866 30.735 ( -1.972 0.000 0.702) 2.093 30.735 ( 1.972 0.000 0.702) 2.093 30.751 ( -1.493 0.000 -0.075) 1.495 30.751 ( 1.493 0.000 -0.075) 1.495 30.852 ( -0.870 0.000 -0.492) 1.000 30.852 ( 0.870 0.000 -0.492) 1.000 30.869 ( -2.064 0.000 0.059) 2.065 30.869 ( 2.064 0.000 0.059) 2.065 35.053 ( -0.754 0.000 8.573) 8.606 35.053 ( 0.754 0.000 8.573) 8.606 36.122 ( -0.320 0.000 -4.343) 4.355 36.122 ( 0.320 0.000 -4.343) 4.355 36.736 ( -0.119 0.000 1.291) 1.297 36.736 ( 0.119 0.000 1.291) 1.297 37.076 ( -0.489 0.000 -3.693) 3.725 37.076 ( 0.489 0.000 -3.693) 3.725 48.088 ( -0.263 0.000 0.173) 0.315 48.088 ( 0.263 0.000 0.173) 0.315 48.134 ( -0.536 0.000 -0.238) 0.586 48.134 ( 0.536 0.000 -0.238) 0.586 48.149 ( -0.771 0.000 0.504) 0.921 48.149 ( 0.771 0.000 0.504) 0.921 48.246 ( -0.630 0.000 -0.643) 0.900 48.246 ( 0.630 0.000 -0.643) 0.900 49.790 ( -0.396 0.000 15.309) 15.314 49.790 ( 0.396 0.000 15.309) 15.314 53.742 ( -26.327 0.000 -30.239) 40.094 53.742 ( 26.327 0.000 -30.239) 40.094 85.237 ( -0.111 0.000 2.584) 2.586 85.237 ( 0.111 0.000 2.584) 2.586 85.253 ( -0.909 0.000 1.477) 1.734 85.253 ( 0.909 0.000 1.477) 1.734 85.514 ( -0.494 0.000 8.919) 8.933 85.514 ( 0.494 0.000 8.919) 8.933 85.637 ( -11.992 0.000 17.325) 21.071 85.637 ( 11.992 0.000 17.325) 21.071 86.303 ( -2.286 0.000 2.068) 3.082 86.303 ( 2.286 0.000 2.068) 3.082 86.486 ( -2.962 0.000 -2.380) 3.800 86.486 ( 2.962 0.000 -2.380) 3.800 86.641 ( -1.348 0.000 4.279) 4.486 86.641 ( 1.348 0.000 4.279) 4.486 86.996 ( -8.737 0.000 5.613) 10.385 86.996 ( 8.737 0.000 5.613) 10.385 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 8.621 10.671) 13.718 0.512 ( 0.000 3.846 13.438) 13.977 0.533 ( 0.000 14.802 10.080) 17.908 0.769 ( 0.000 -0.229 16.491) 16.492 0.771 ( 0.000 4.534 12.711) 13.496 0.946 ( 0.000 4.289 4.982) 6.574 1.079 ( 0.000 -2.611 1.292) 2.913 1.095 ( 0.000 -2.068 8.936) 9.172 1.127 ( 0.000 0.851 7.656) 7.703 1.169 ( 0.000 -7.763 5.923) 9.764 1.212 ( 0.000 0.513 -1.903) 1.971 1.260 ( 0.000 -0.165 0.455) 0.484 1.363 ( 0.000 6.175 3.072) 6.897 1.398 ( 0.000 -5.352 -5.510) 7.681 1.433 ( 0.000 8.079 5.592) 9.826 1.441 ( 0.000 3.959 5.199) 6.535 1.597 ( 0.000 -3.632 0.793) 3.718 1.624 ( 0.000 0.080 -2.521) 2.522 1.657 ( 0.000 -0.357 1.921) 1.954 1.701 ( 0.000 3.935 2.970) 4.930 1.730 ( 0.000 -3.475 -4.070) 5.352 1.780 ( 0.000 5.742 -4.614) 7.367 1.792 ( 0.000 -1.441 0.127) 1.447 1.854 ( 0.000 -1.269 -0.776) 1.488 1.859 ( 0.000 -1.715 2.460) 2.999 1.892 ( 0.000 -0.416 1.228) 1.296 1.922 ( 0.000 -5.778 4.017) 7.037 1.972 ( 0.000 -0.573 -4.205) 4.244 1.998 ( 0.000 0.410 0.455) 0.612 2.000 ( 0.000 0.956 1.408) 1.702 2.068 ( 0.000 0.432 -2.000) 2.046 2.071 ( 0.000 -5.385 2.380) 5.887 2.129 ( 0.000 2.181 -4.395) 4.906 2.135 ( 0.000 -0.865 -0.707) 1.117 2.146 ( 0.000 0.903 -0.950) 1.310 2.165 ( 0.000 2.120 -0.742) 2.246 2.191 ( 0.000 2.589 0.609) 2.659 2.191 ( 0.000 -2.289 -3.267) 3.989 2.251 ( 0.000 -1.330 4.869) 5.048 2.297 ( 0.000 -2.688 1.328) 2.998 2.348 ( 0.000 -2.429 1.584) 2.900 2.358 ( 0.000 2.014 -2.212) 2.991 2.366 ( 0.000 -6.434 2.823) 7.027 2.409 ( 0.000 1.815 -4.902) 5.228 2.445 ( 0.000 -2.586 -3.564) 4.404 2.484 ( 0.000 0.923 0.260) 0.959 2.504 ( 0.000 -0.290 1.214) 1.248 2.511 ( 0.000 -0.901 -0.799) 1.205 2.543 ( 0.000 -0.699 -0.713) 0.998 2.568 ( 0.000 -1.274 1.052) 1.652 2.634 ( 0.000 1.793 -1.314) 2.223 2.638 ( 0.000 -1.981 -0.069) 1.982 2.697 ( 0.000 -0.731 3.121) 3.205 2.723 ( 0.000 -1.476 -1.069) 1.823 2.775 ( 0.000 -4.504 1.276) 4.681 2.804 ( 0.000 3.192 -2.288) 3.928 2.816 ( 0.000 -4.968 1.611) 5.222 2.903 ( 0.000 3.269 1.530) 3.610 2.941 ( 0.000 3.865 -1.834) 4.278 2.955 ( 0.000 -3.805 -2.050) 4.322 3.002 ( 0.000 3.644 -0.350) 3.661 3.017 ( 0.000 2.616 0.186) 2.623 3.017 ( 0.000 1.754 2.468) 3.028 3.052 ( 0.000 -2.604 3.175) 4.106 3.055 ( 0.000 1.079 1.523) 1.866 3.074 ( 0.000 4.490 1.329) 4.682 3.101 ( 0.000 -1.815 -0.258) 1.833 3.115 ( 0.000 2.190 1.380) 2.588 3.141 ( 0.000 1.358 4.740) 4.931 3.168 ( 0.000 1.143 -1.134) 1.611 3.207 ( 0.000 -0.117 2.706) 2.708 3.246 ( 0.000 -1.939 0.196) 1.949 3.256 ( 0.000 -1.447 -0.327) 1.483 3.274 ( 0.000 -2.088 4.263) 4.747 3.286 ( 0.000 -1.571 2.656) 3.086 3.308 ( 0.000 3.434 3.952) 5.235 3.324 ( 0.000 2.622 1.927) 3.254 3.369 ( 0.000 4.993 5.884) 7.716 3.374 ( 0.000 -5.225 -1.897) 5.559 3.429 ( 0.000 0.662 4.510) 4.558 3.501 ( 0.000 0.253 1.014) 1.045 3.527 ( 0.000 -0.607 0.677) 0.909 3.532 ( 0.000 0.659 1.381) 1.530 3.568 ( 0.000 -1.159 2.247) 2.528 3.634 ( 0.000 1.483 -0.687) 1.634 3.638 ( 0.000 1.905 3.892) 4.333 3.653 ( 0.000 2.339 -2.935) 3.753 3.741 ( 0.000 -5.842 4.150) 7.166 3.750 ( 0.000 0.004 0.728) 0.728 3.795 ( 0.000 -0.491 -2.129) 2.185 3.832 ( 0.000 2.617 -0.939) 2.780 3.934 ( 0.000 0.401 0.848) 0.938 3.961 ( 0.000 -0.092 1.172) 1.176 4.022 ( 0.000 -3.416 2.705) 4.357 4.063 ( 0.000 0.919 -0.768) 1.198 4.125 ( 0.000 -1.778 -3.208) 3.667 4.170 ( 0.000 0.953 -1.755) 1.997 4.199 ( 0.000 0.262 -3.947) 3.956 4.209 ( 0.000 -0.270 -2.967) 2.979 4.213 ( 0.000 3.909 -0.136) 3.911 4.229 ( 0.000 -0.525 -3.811) 3.847 4.254 ( 0.000 0.172 -1.490) 1.500 4.280 ( 0.000 0.022 -2.031) 2.031 4.445 ( 0.000 -8.553 1.722) 8.724 4.615 ( 0.000 0.482 -5.498) 5.519 4.643 ( 0.000 -0.739 -5.368) 5.419 4.736 ( 0.000 5.930 -7.943) 9.912 4.799 ( 0.000 0.330 1.557) 1.592 4.803 ( 0.000 0.215 -0.010) 0.215 4.820 ( 0.000 -0.374 -2.130) 2.163 4.846 ( 0.000 3.139 -3.298) 4.554 4.873 ( 0.000 1.129 0.379) 1.191 4.906 ( 0.000 -0.001 0.448) 0.448 4.928 ( 0.000 1.358 0.002) 1.358 4.979 ( 0.000 -7.674 3.043) 8.255 5.006 ( 0.000 -1.854 -0.960) 2.088 5.073 ( 0.000 1.881 -1.508) 2.411 5.117 ( 0.000 -1.594 0.151) 1.601 5.217 ( 0.000 1.686 -8.725) 8.886 5.278 ( 0.000 0.342 7.035) 7.044 5.291 ( 0.000 0.034 6.487) 6.487 5.313 ( 0.000 -3.506 -7.988) 8.723 5.373 ( 0.000 2.400 1.026) 2.610 5.509 ( 0.000 -3.208 1.434) 3.514 5.613 ( 0.000 1.197 1.522) 1.936 5.671 ( 0.000 -1.618 5.874) 6.092 5.797 ( 0.000 1.249 -0.431) 1.321 5.831 ( 0.000 3.196 0.263) 3.207 5.870 ( 0.000 1.215 -6.156) 6.275 5.999 ( 0.000 -3.903 -2.322) 4.541 6.079 ( 0.000 2.724 -5.617) 6.242 6.121 ( 0.000 0.377 -5.607) 5.620 6.306 ( 0.000 11.380 -11.565) 16.225 6.334 ( 0.000 1.525 -5.032) 5.258 6.373 ( 0.000 -0.304 -3.059) 3.074 6.596 ( 0.000 -2.920 -7.979) 8.497 10.153 ( 0.000 1.133 3.246) 3.438 10.208 ( 0.000 -1.290 2.825) 3.106 10.235 ( 0.000 0.106 3.565) 3.567 10.238 ( 0.000 0.068 3.016) 3.016 10.291 ( 0.000 1.038 2.404) 2.619 10.347 ( 0.000 -1.148 0.491) 1.249 10.393 ( 0.000 0.719 4.166) 4.227 10.449 ( 0.000 -2.659 3.342) 4.271 10.588 ( 0.000 3.624 2.368) 4.329 10.653 ( 0.000 0.303 0.864) 0.915 10.755 ( 0.000 0.895 7.432) 7.486 10.810 ( 0.000 1.268 -0.077) 1.271 10.892 ( 0.000 -2.777 -0.127) 2.780 10.993 ( 0.000 2.094 0.682) 2.202 11.047 ( 0.000 -0.775 0.620) 0.993 11.078 ( 0.000 -22.067 17.086) 27.908 18.957 ( 0.000 0.090 0.319) 0.331 18.961 ( 0.000 -0.094 0.475) 0.484 19.030 ( 0.000 -0.116 -0.623) 0.634 19.037 ( 0.000 -0.314 -0.886) 0.940 27.016 ( 0.000 0.419 3.143) 3.171 27.034 ( 0.000 -0.366 3.470) 3.489 27.064 ( 0.000 2.539 3.728) 4.510 27.253 ( 0.000 -9.453 6.948) 11.732 27.443 ( 0.000 0.108 -0.659) 0.668 27.453 ( 0.000 -0.244 -0.580) 0.629 27.497 ( 0.000 0.067 -1.092) 1.094 27.502 ( 0.000 -0.108 -0.332) 0.349 29.249 ( 0.000 0.063 0.962) 0.964 29.255 ( 0.000 -0.189 0.455) 0.493 29.264 ( 0.000 0.716 0.171) 0.736 29.295 ( 0.000 -0.720 -0.091) 0.726 29.308 ( 0.000 0.666 -0.381) 0.767 29.336 ( 0.000 -0.551 0.448) 0.710 29.376 ( 0.000 5.117 -1.964) 5.481 29.574 ( 0.000 -6.297 -0.610) 6.326 30.690 ( 0.000 0.424 0.227) 0.481 30.711 ( 0.000 -0.404 -0.033) 0.405 30.795 ( 0.000 0.132 1.577) 1.583 30.799 ( 0.000 -0.010 0.700) 0.700 30.807 ( 0.000 0.214 -1.325) 1.343 30.818 ( 0.000 -0.194 -1.463) 1.476 30.877 ( 0.000 0.762 0.207) 0.790 30.914 ( 0.000 -0.793 0.548) 0.964 35.046 ( 0.000 0.205 7.966) 7.969 35.090 ( 0.000 -3.329 9.557) 10.120 36.116 ( 0.000 0.251 -4.326) 4.333 36.128 ( 0.000 -0.256 -4.349) 4.357 36.734 ( 0.000 0.116 1.178) 1.184 36.738 ( 0.000 -0.073 1.344) 1.346 37.006 ( 0.000 0.630 -1.654) 1.770 37.040 ( 0.000 -0.778 -2.236) 2.368 48.082 ( 0.000 0.343 0.158) 0.377 48.090 ( 0.000 0.049 0.328) 0.332 48.123 ( 0.000 0.227 -0.003) 0.227 48.127 ( 0.000 0.017 0.543) 0.543 48.159 ( 0.000 0.561 -0.524) 0.767 48.173 ( 0.000 -0.283 -0.030) 0.284 48.232 ( 0.000 0.261 -0.425) 0.498 48.256 ( 0.000 -0.713 -0.647) 0.963 49.767 ( 0.000 0.279 15.742) 15.745 49.777 ( 0.000 -0.134 16.344) 16.344 54.255 ( 0.000 60.599 -90.601) 108.999 54.640 ( 0.000 10.279 -50.080) 51.124 85.238 ( 0.000 1.543 0.650) 1.674 85.239 ( 0.000 1.391 2.774) 3.103 85.259 ( 0.000 1.723 0.751) 1.879 85.281 ( 0.000 0.168 1.521) 1.530 85.434 ( 0.000 0.175 8.754) 8.755 85.482 ( 0.000 -1.434 9.968) 10.070 85.555 ( 0.000 4.361 8.250) 9.331 86.038 ( 0.000 -22.309 13.528) 26.090 86.358 ( 0.000 0.636 2.122) 2.215 86.416 ( 0.000 -1.501 1.444) 2.083 86.484 ( 0.000 -0.141 -1.752) 1.757 86.487 ( 0.000 -0.288 -2.415) 2.432 86.649 ( 0.000 0.521 6.667) 6.688 86.666 ( 0.000 -0.242 5.589) 5.595 86.807 ( 0.000 10.680 1.490) 10.784 87.358 ( 0.000 -27.530 16.852) 32.278 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 9.655 6.013 8.719) 14.331 0.576 ( 7.001 7.226 6.963) 12.235 0.624 ( 6.860 8.196 10.919) 15.280 0.852 ( -0.354 1.786 5.933) 6.206 0.882 ( 6.605 -3.018 10.942) 13.133 0.977 ( -0.601 5.501 0.122) 5.535 1.001 ( -0.009 -1.332 10.405) 10.490 1.071 ( 2.164 3.364 9.233) 10.062 1.174 ( 3.105 -5.147 1.039) 6.100 1.193 ( -0.374 -6.095 2.058) 6.444 1.236 ( 1.449 0.761 4.333) 4.631 1.307 ( 5.375 -0.439 5.768) 7.896 1.342 ( -4.981 5.405 6.297) 9.679 1.354 ( -5.249 -3.871 -0.499) 6.541 1.405 ( 1.842 2.332 4.004) 4.986 1.459 ( 0.758 1.976 1.711) 2.722 1.508 ( 1.228 1.606 -0.277) 2.041 1.581 ( -1.998 4.221 -1.135) 4.806 1.602 ( -3.986 -2.191 0.651) 4.595 1.671 ( -4.164 0.957 -1.147) 4.423 1.737 ( 1.239 1.144 -0.579) 1.783 1.800 ( -4.892 -5.342 -0.367) 7.253 1.830 ( 2.367 1.314 2.853) 3.933 1.837 ( -0.875 1.635 0.665) 1.970 1.886 ( -2.992 -1.997 -1.575) 3.926 1.919 ( 2.647 1.158 1.741) 3.374 1.932 ( -0.800 0.837 4.122) 4.282 1.965 ( 1.122 -1.465 -3.115) 3.620 1.984 ( -0.695 -0.714 -0.733) 1.237 2.013 ( 0.650 -0.683 -0.864) 1.279 2.043 ( -7.891 3.100 -1.508) 8.611 2.054 ( 0.144 -0.704 -1.633) 1.784 2.080 ( -0.476 1.887 0.927) 2.155 2.126 ( 0.386 -1.052 -1.973) 2.269 2.144 ( 0.513 -0.958 1.003) 1.479 2.168 ( 0.594 0.735 -2.114) 2.316 2.182 ( 0.222 1.630 -1.703) 2.367 2.193 ( -1.266 1.022 -1.318) 2.094 2.251 ( -0.626 -2.975 2.188) 3.746 2.282 ( -0.755 -2.338 1.309) 2.784 2.299 ( 0.425 -1.998 0.862) 2.217 2.361 ( -2.169 1.274 -2.781) 3.750 2.369 ( 0.692 -4.384 -0.274) 4.447 2.403 ( -0.660 1.183 -2.573) 2.908 2.411 ( -0.942 -4.938 -0.428) 5.046 2.428 ( -0.854 -3.254 -0.968) 3.500 2.491 ( -1.706 -1.943 0.843) 2.720 2.501 ( -1.458 0.056 -2.044) 2.511 2.552 ( 1.329 -1.580 1.379) 2.483 2.595 ( 2.313 -1.208 -0.214) 2.618 2.635 ( -0.687 1.732 0.323) 1.892 2.670 ( -1.219 -1.403 0.735) 1.999 2.730 ( 0.843 -2.061 -0.368) 2.257 2.757 ( -0.657 -2.414 2.278) 3.383 2.759 ( 3.526 -3.897 -0.730) 5.305 2.806 ( 0.525 -2.298 0.966) 2.547 2.839 ( 1.554 0.859 -1.199) 2.142 2.870 ( -1.613 2.285 -0.876) 2.931 2.921 ( -2.126 1.648 0.384) 2.717 2.938 ( -2.199 1.422 -0.978) 2.795 2.967 ( -0.991 0.889 1.019) 1.677 2.987 ( -0.469 1.168 0.256) 1.285 3.019 ( -0.603 0.508 4.125) 4.200 3.032 ( -1.203 3.208 2.645) 4.328 3.089 ( 3.246 -0.369 1.668) 3.668 3.098 ( 1.024 0.251 3.205) 3.374 3.119 ( 0.685 1.720 1.778) 2.567 3.161 ( 2.089 -0.521 0.212) 2.164 3.170 ( 1.955 0.508 2.057) 2.883 3.186 ( -0.103 1.409 2.791) 3.128 3.226 ( 3.159 0.464 -0.261) 3.203 3.245 ( 0.318 0.895 -0.113) 0.957 3.270 ( -0.547 -0.530 3.173) 3.263 3.280 ( 1.705 0.647 1.360) 2.275 3.300 ( 0.172 1.047 2.362) 2.589 3.316 ( 0.319 1.181 1.696) 2.091 3.328 ( 0.484 1.137 2.226) 2.546 3.371 ( 1.868 0.047 2.689) 3.274 3.410 ( 0.357 -1.375 -0.103) 1.425 3.444 ( 1.845 -0.748 3.193) 3.762 3.500 ( 0.098 0.679 3.232) 3.304 3.518 ( -1.632 0.628 0.864) 1.950 3.535 ( -1.350 -0.023 0.954) 1.653 3.548 ( -0.505 -0.810 0.689) 1.177 3.584 ( -1.020 -0.365 1.379) 1.754 3.625 ( 0.805 -3.113 1.709) 3.641 3.665 ( -1.064 2.048 -1.245) 2.622 3.739 ( 2.117 1.917 1.705) 3.326 3.776 ( -1.167 -1.622 -2.065) 2.873 3.798 ( 0.621 -2.618 1.070) 2.896 3.859 ( 1.952 3.726 -0.985) 4.320 3.945 ( -1.626 2.122 1.119) 2.899 3.947 ( 0.629 0.812 0.704) 1.245 4.022 ( -0.941 -0.104 -3.025) 3.169 4.047 ( 0.258 1.144 -1.017) 1.553 4.132 ( -1.377 -1.477 -1.230) 2.365 4.179 ( 1.640 0.483 -0.962) 1.962 4.198 ( -0.051 0.084 -4.094) 4.095 4.209 ( -0.008 0.687 -3.702) 3.765 4.226 ( 0.701 -0.544 -2.543) 2.694 4.240 ( -0.331 -0.914 -1.767) 2.016 4.266 ( -1.034 0.026 -2.238) 2.465 4.310 ( 5.991 -0.959 -1.044) 6.157 4.456 ( 0.186 -7.124 0.883) 7.181 4.607 ( -0.487 0.410 -3.855) 3.908 4.632 ( -0.956 -0.817 -4.152) 4.338 4.753 ( 0.968 1.982 -5.439) 5.870 4.782 ( -1.097 -0.058 -1.337) 1.731 4.808 ( 0.800 0.965 0.787) 1.480 4.819 ( -0.233 0.826 0.490) 0.988 4.862 ( 1.488 3.173 -4.835) 5.971 4.893 ( 0.547 -0.280 -0.500) 0.793 4.911 ( 0.815 0.529 0.114) 0.979 4.917 ( -0.318 1.020 0.125) 1.076 4.969 ( -1.361 -2.529 2.262) 3.656 4.984 ( -1.833 -0.539 -2.509) 3.154 5.084 ( 0.805 0.091 -2.244) 2.385 5.114 ( -0.212 -1.743 -1.283) 2.175 5.187 ( -1.878 0.861 -4.760) 5.189 5.210 ( -3.376 0.310 0.148) 3.393 5.284 ( 0.179 2.376 4.568) 5.152 5.317 ( -1.865 4.461 1.744) 5.140 5.420 ( 4.093 -5.896 -1.609) 7.356 5.503 ( -0.164 -4.481 0.407) 4.502 5.654 ( 3.120 2.419 1.112) 4.102 5.732 ( 4.193 -1.743 3.131) 5.516 5.769 ( -2.769 3.927 0.295) 4.814 5.812 ( 1.731 -0.076 -0.217) 1.746 5.910 ( -0.458 0.080 -0.919) 1.030 5.963 ( -2.121 -4.150 -0.143) 4.663 6.108 ( 1.385 0.669 -6.783) 6.955 6.133 ( 0.940 -0.755 -6.600) 6.709 6.321 ( 1.673 4.734 -7.784) 9.263 6.350 ( 1.583 5.252 -8.458) 10.081 6.364 ( -0.803 0.182 -3.273) 3.375 6.536 ( -4.967 -1.192 -7.629) 9.181 10.174 ( 1.826 0.667 3.333) 3.859 10.213 ( 0.425 -0.828 2.915) 3.059 10.229 ( -0.535 0.145 3.371) 3.416 10.236 ( -0.217 -0.115 3.006) 3.016 10.305 ( 1.211 0.654 2.224) 2.615 10.344 ( -0.235 -0.857 0.737) 1.154 10.381 ( -1.054 0.486 4.437) 4.587 10.419 ( -2.782 -1.785 4.511) 5.592 10.575 ( -0.625 2.704 3.281) 4.298 10.625 ( -2.239 0.113 1.821) 2.889 10.737 ( -0.764 0.484 7.010) 7.068 10.787 ( -2.321 -0.620 7.378) 7.759 10.918 ( 1.908 -1.572 -0.867) 2.619 10.984 ( -2.078 -4.380 4.400) 6.547 11.006 ( -1.244 -2.149 4.294) 4.960 11.038 ( -0.889 -0.584 0.720) 1.284 18.958 ( 0.050 0.052 0.335) 0.342 18.961 ( -0.067 -0.078 0.444) 0.456 19.029 ( -0.069 -0.218 -0.530) 0.577 19.033 ( -0.270 -0.326 -0.751) 0.862 27.022 ( 0.549 0.593 3.286) 3.384 27.044 ( 0.337 0.186 4.023) 4.041 27.065 ( 0.670 1.225 3.368) 3.646 27.183 ( -4.629 -4.465 7.036) 9.532 27.448 ( 0.639 0.218 -0.882) 1.111 27.458 ( 0.553 -0.128 -0.739) 0.931 27.489 ( -0.798 0.061 -1.068) 1.335 27.493 ( -0.738 -0.118 -0.423) 0.859 29.247 ( -0.263 0.192 0.378) 0.499 29.249 ( -0.134 0.105 0.845) 0.862 29.276 ( 0.629 0.150 0.332) 0.727 29.287 ( -0.206 -0.590 0.228) 0.665 29.317 ( 0.185 0.477 -0.092) 0.520 29.331 ( -0.316 0.781 0.591) 1.029 29.455 ( 5.146 0.432 -4.343) 6.748 29.570 ( -0.608 -4.905 -1.972) 5.322 30.703 ( 1.198 0.336 0.330) 1.287 30.721 ( 0.873 -0.383 0.088) 0.957 30.777 ( -1.432 0.246 0.912) 1.716 30.781 ( -1.224 0.065 0.029) 1.226 30.828 ( 1.502 -0.025 -0.502) 1.584 30.831 ( 1.042 -0.125 -0.820) 1.332 30.871 ( -0.531 0.573 -0.047) 0.783 30.900 ( -1.238 -0.639 0.371) 1.442 35.046 ( 0.070 0.123 8.053) 8.054 35.069 ( -1.294 -1.326 9.310) 9.493 36.118 ( 0.154 0.177 -4.333) 4.339 36.127 ( -0.166 -0.181 -4.350) 4.356 36.735 ( 0.050 0.082 1.225) 1.229 36.738 ( -0.062 -0.053 1.334) 1.337 37.043 ( 2.065 -1.043 -3.128) 3.891 37.050 ( 0.852 -0.766 -2.513) 2.762 48.085 ( 0.233 0.268 0.173) 0.395 48.091 ( 0.053 0.016 0.166) 0.175 48.127 ( 0.408 0.263 -0.038) 0.487 48.133 ( 0.554 -0.076 0.498) 0.749 48.153 ( -0.543 0.552 -0.480) 0.911 48.164 ( -0.730 -0.135 0.233) 0.779 48.236 ( 0.325 0.137 -0.493) 0.606 48.252 ( -0.321 -0.557 -0.626) 0.897 49.776 ( 0.559 -0.175 15.523) 15.534 49.782 ( 0.351 -0.415 16.022) 16.031 53.970 ( -13.001 46.915 -53.236) 72.140 54.395 ( -20.338 9.927 -44.341) 49.783 85.243 ( 0.412 1.345 1.610) 2.138 85.245 ( 0.392 1.344 3.016) 3.325 85.262 ( 0.254 1.663 0.374) 1.723 85.278 ( -0.320 0.522 1.340) 1.473 85.468 ( 3.203 -0.655 10.550) 11.045 85.493 ( 1.122 -1.071 10.085) 10.203 85.543 ( -1.016 2.876 8.414) 8.950 85.856 ( -14.446 -13.558 19.897) 28.078 86.318 ( -1.471 2.297 1.669) 3.198 86.389 ( -2.492 -0.659 1.831) 3.162 86.447 ( -1.310 2.073 -1.276) 2.764 86.511 ( -0.440 -1.650 -2.688) 3.185 86.632 ( 0.715 2.868 5.080) 5.877 86.657 ( 0.615 0.625 5.940) 6.005 86.876 ( 4.097 3.458 1.732) 5.634 87.154 ( -11.734 -10.445 12.522) 20.089 ======================= Grid point 32 (15/36) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -4.342 5.912 7.885) 10.770 0.693 ( 4.342 5.912 7.885) 10.770 0.758 ( -4.644 6.454 5.253) 9.530 0.758 ( 4.644 6.454 5.253) 9.530 0.882 ( -3.055 -0.711 1.824) 3.629 0.882 ( 3.055 -0.711 1.824) 3.629 1.088 ( -9.273 -5.770 5.549) 12.251 1.088 ( 9.273 -5.770 5.549) 12.251 1.202 ( -2.233 -2.898 4.164) 5.542 1.202 ( 2.233 -2.898 4.164) 5.542 1.260 ( -3.168 2.228 5.701) 6.893 1.260 ( 3.168 2.228 5.701) 6.893 1.394 ( -3.882 -2.809 3.740) 6.079 1.394 ( 3.882 -2.809 3.740) 6.079 1.472 ( -4.245 1.953 5.156) 6.958 1.472 ( 4.245 1.953 5.156) 6.958 1.543 ( -5.306 4.067 3.010) 7.332 1.543 ( 5.306 4.067 3.010) 7.332 1.582 ( -1.156 -0.155 -0.102) 1.170 1.582 ( 1.156 -0.155 -0.102) 1.170 1.706 ( -3.106 4.284 -0.820) 5.355 1.706 ( 3.106 4.284 -0.820) 5.355 1.807 ( -0.122 -0.505 -0.013) 0.520 1.807 ( 0.122 -0.505 -0.013) 0.520 1.873 ( -4.365 0.898 -1.336) 4.652 1.873 ( 4.365 0.898 -1.336) 4.652 1.936 ( -0.680 0.396 0.506) 0.935 1.936 ( 0.680 0.396 0.506) 0.935 1.972 ( -0.975 2.042 0.656) 2.356 1.972 ( 0.975 2.042 0.656) 2.356 2.055 ( -1.349 -2.628 0.554) 3.005 2.055 ( 1.349 -2.628 0.554) 3.005 2.120 ( -2.642 0.024 -3.744) 4.582 2.120 ( 2.642 0.024 -3.744) 4.582 2.151 ( -1.481 -1.039 -0.126) 1.814 2.151 ( 1.481 -1.039 -0.126) 1.814 2.211 ( -1.920 -1.987 2.313) 3.603 2.211 ( 1.920 -1.987 2.313) 3.603 2.259 ( -4.085 1.003 -3.068) 5.206 2.259 ( 4.085 1.003 -3.068) 5.206 2.308 ( -1.849 -0.105 -1.983) 2.713 2.308 ( 1.849 -0.105 -1.983) 2.713 2.391 ( -0.528 -0.217 -2.118) 2.193 2.391 ( 0.528 -0.217 -2.118) 2.193 2.415 ( -0.761 -7.699 1.282) 7.842 2.415 ( 0.761 -7.699 1.282) 7.842 2.474 ( -0.369 -0.420 -0.942) 1.095 2.474 ( 0.369 -0.420 -0.942) 1.095 2.592 ( -2.120 -2.827 1.842) 3.985 2.592 ( 2.120 -2.827 1.842) 3.985 2.642 ( -1.570 0.896 -1.361) 2.263 2.642 ( 1.570 0.896 -1.361) 2.263 2.746 ( -0.340 -2.233 2.121) 3.098 2.746 ( 0.340 -2.233 2.121) 3.098 2.789 ( -1.596 -2.169 0.020) 2.693 2.789 ( 1.596 -2.169 0.020) 2.693 2.867 ( -1.119 1.138 -0.531) 1.682 2.867 ( 1.119 1.138 -0.531) 1.682 2.898 ( -1.844 0.422 -0.514) 1.960 2.898 ( 1.844 0.422 -0.514) 1.960 2.983 ( -1.464 1.343 1.404) 2.432 2.983 ( 1.464 1.343 1.404) 2.432 3.006 ( -0.316 2.243 2.936) 3.709 3.006 ( 0.316 2.243 2.936) 3.709 3.115 ( -0.510 -0.776 4.598) 4.691 3.115 ( 0.510 -0.776 4.598) 4.691 3.154 ( -1.998 -1.087 0.724) 2.387 3.154 ( 1.998 -1.087 0.724) 2.387 3.194 ( -0.421 2.671 1.768) 3.231 3.194 ( 0.421 2.671 1.768) 3.231 3.246 ( -0.727 1.325 0.448) 1.576 3.246 ( 0.727 1.325 0.448) 1.576 3.293 ( -1.394 -0.157 3.320) 3.604 3.293 ( 1.394 -0.157 3.320) 3.604 3.309 ( -0.985 1.705 1.356) 2.391 3.309 ( 0.985 1.705 1.356) 2.391 3.362 ( -2.772 -0.022 -0.544) 2.825 3.362 ( 2.772 -0.022 -0.544) 2.825 3.444 ( -2.882 1.146 1.644) 3.510 3.444 ( 2.882 1.146 1.644) 3.510 3.490 ( -1.376 -0.498 1.655) 2.209 3.490 ( 1.376 -0.498 1.655) 2.209 3.537 ( -1.462 -1.426 3.146) 3.751 3.537 ( 1.462 -1.426 3.146) 3.751 3.600 ( -2.375 -0.490 0.187) 2.433 3.600 ( 2.375 -0.490 0.187) 2.433 3.712 ( -3.749 -1.369 -1.240) 4.180 3.712 ( 3.749 -1.369 -1.240) 4.180 3.788 ( -1.359 -0.924 0.599) 1.749 3.788 ( 1.359 -0.924 0.599) 1.749 3.902 ( -2.057 5.364 -0.680) 5.785 3.902 ( 2.057 5.364 -0.680) 5.785 3.978 ( -2.071 1.177 -1.266) 2.698 3.978 ( 2.071 1.177 -1.266) 2.698 4.086 ( -2.531 -0.766 -0.884) 2.788 4.086 ( 2.531 -0.766 -0.884) 2.788 4.197 ( -0.164 0.442 -3.419) 3.451 4.197 ( 0.164 0.442 -3.419) 3.451 4.221 ( -1.188 -0.213 -3.255) 3.471 4.221 ( 1.188 -0.213 -3.255) 3.471 4.245 ( -0.928 0.048 -1.600) 1.850 4.245 ( 0.928 0.048 -1.600) 1.850 4.422 ( -3.787 -4.187 -0.536) 5.671 4.422 ( 3.787 -4.187 -0.536) 5.671 4.610 ( -0.841 -0.754 -2.469) 2.715 4.610 ( 0.841 -0.754 -2.469) 2.715 4.766 ( -0.529 -0.580 -2.141) 2.281 4.766 ( 0.529 -0.580 -2.141) 2.281 4.819 ( -0.146 0.757 1.743) 1.906 4.819 ( 0.146 0.757 1.743) 1.906 4.886 ( -0.619 1.481 -4.898) 5.154 4.886 ( 0.619 1.481 -4.898) 5.154 4.931 ( -1.601 0.343 0.289) 1.663 4.931 ( 1.601 0.343 0.289) 1.663 4.942 ( -1.664 2.357 -1.428) 3.220 4.942 ( 1.664 2.357 -1.428) 3.220 5.104 ( -0.951 -1.772 -3.024) 3.632 5.104 ( 0.951 -1.772 -3.024) 3.632 5.169 ( -0.570 0.349 -0.801) 1.043 5.169 ( 0.570 0.349 -0.801) 1.043 5.291 ( -0.684 3.616 3.305) 4.947 5.291 ( 0.684 3.616 3.305) 4.947 5.487 ( -1.925 -6.279 -1.456) 6.727 5.487 ( 1.925 -6.279 -1.456) 6.727 5.713 ( -2.494 3.658 -0.328) 4.439 5.713 ( 2.494 3.658 -0.328) 4.439 5.820 ( -3.251 -0.456 1.319) 3.538 5.820 ( 3.251 -0.456 1.319) 3.538 5.908 ( -2.905 -2.529 2.312) 4.492 5.908 ( 2.905 -2.529 2.312) 4.492 6.133 ( -0.945 -0.622 -7.510) 7.595 6.133 ( 0.945 -0.622 -7.510) 7.595 6.346 ( -0.844 1.136 -3.919) 4.167 6.346 ( 0.844 1.136 -3.919) 4.167 6.425 ( -5.174 2.484 -9.067) 10.731 6.425 ( 5.174 2.484 -9.067) 10.731 10.212 ( -1.325 -0.118 3.505) 3.749 10.212 ( 1.325 -0.118 3.505) 3.749 10.225 ( -0.729 -0.115 3.032) 3.121 10.225 ( 0.729 -0.115 3.032) 3.121 10.334 ( -1.183 0.334 0.810) 1.472 10.334 ( 1.183 0.334 0.810) 1.472 10.369 ( -0.969 -0.528 5.813) 5.917 10.369 ( 0.969 -0.528 5.813) 5.917 10.583 ( -1.419 0.827 3.071) 3.483 10.583 ( 1.419 0.827 3.071) 3.483 10.743 ( -1.363 -0.343 8.257) 8.376 10.743 ( 1.363 -0.343 8.257) 8.376 10.951 ( -1.203 -1.308 -0.535) 1.856 10.951 ( 1.203 -1.308 -0.535) 1.856 11.016 ( -1.086 0.123 1.210) 1.631 11.016 ( 1.086 0.123 1.210) 1.631 18.959 ( -0.081 -0.031 0.387) 0.397 18.959 ( 0.081 -0.031 0.387) 0.397 19.029 ( -0.126 -0.300 -0.560) 0.648 19.029 ( 0.126 -0.300 -0.560) 0.648 27.036 ( -0.726 0.989 3.692) 3.891 27.036 ( 0.726 0.989 3.692) 3.891 27.105 ( -2.896 -1.275 4.799) 5.749 27.105 ( 2.896 -1.275 4.799) 5.749 27.468 ( -1.112 0.118 -1.040) 1.527 27.468 ( 1.112 0.118 -1.040) 1.527 27.474 ( -0.973 -0.139 -0.625) 1.165 27.474 ( 0.973 -0.139 -0.625) 1.165 29.246 ( -0.103 0.193 0.605) 0.643 29.246 ( 0.103 0.193 0.605) 0.643 29.284 ( -0.152 -0.510 0.299) 0.610 29.284 ( 0.152 -0.510 0.299) 0.610 29.323 ( -0.398 1.056 0.371) 1.188 29.323 ( 0.398 1.056 0.371) 1.188 29.538 ( -2.706 -2.411 -3.744) 5.210 29.538 ( 2.706 -2.411 -3.744) 5.210 30.732 ( -0.966 -0.198 0.575) 1.142 30.732 ( 0.966 -0.198 0.575) 1.142 30.756 ( -0.607 0.365 0.043) 0.709 30.756 ( 0.607 0.365 0.043) 0.709 30.852 ( -0.782 0.023 -0.348) 0.857 30.852 ( 0.782 0.023 -0.348) 0.857 30.868 ( -1.623 -0.175 -0.096) 1.635 30.868 ( 1.623 -0.175 -0.096) 1.635 35.051 ( -0.466 -0.174 8.469) 8.483 35.051 ( 0.466 -0.174 8.469) 8.483 36.122 ( -0.227 -0.002 -4.345) 4.351 36.122 ( 0.227 -0.002 -4.345) 4.351 36.736 ( -0.083 0.005 1.289) 1.292 36.736 ( 0.083 0.005 1.289) 1.292 37.063 ( -0.108 -1.042 -3.094) 3.266 37.063 ( 0.108 -1.042 -3.094) 3.266 48.090 ( -0.182 0.161 0.155) 0.288 48.090 ( 0.182 0.161 0.155) 0.288 48.139 ( -0.612 0.296 -0.055) 0.682 48.139 ( 0.612 0.296 -0.055) 0.682 48.148 ( -0.721 -0.009 0.208) 0.750 48.148 ( 0.721 -0.009 0.208) 0.750 48.244 ( -0.436 -0.195 -0.569) 0.743 48.244 ( 0.436 -0.195 -0.569) 0.743 49.784 ( -0.172 -0.444 15.635) 15.643 49.784 ( 0.172 -0.444 15.635) 15.643 53.992 ( -13.853 20.167 -37.829) 45.052 53.992 ( 13.853 20.167 -37.829) 45.052 85.250 ( -0.058 1.239 2.771) 3.036 85.250 ( 0.058 1.239 2.771) 3.036 85.269 ( -0.420 1.234 0.658) 1.460 85.269 ( 0.420 1.234 0.658) 1.460 85.512 ( -1.287 0.032 10.689) 10.766 85.512 ( 1.287 0.032 10.689) 10.766 85.601 ( -8.870 -3.275 14.535) 17.340 85.601 ( 8.870 -3.275 14.535) 17.340 86.327 ( -2.152 2.029 1.794) 3.460 86.327 ( 2.152 2.029 1.794) 3.460 86.472 ( -2.426 -1.198 -2.056) 3.398 86.472 ( 2.426 -1.198 -2.056) 3.398 86.659 ( -0.742 1.519 4.519) 4.825 86.659 ( 0.742 1.519 4.519) 4.825 86.975 ( -6.078 -1.844 5.091) 8.141 86.975 ( 6.078 -1.844 5.091) 8.141 ======================= Grid point 35 (16/36) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.000 -4.088 9.602) 10.436 0.527 ( 0.000 4.088 9.602) 10.436 0.693 ( 0.000 -5.498 17.811) 18.641 0.693 ( 0.000 5.498 17.811) 18.641 0.920 ( 0.000 -6.016 -0.697) 6.056 0.920 ( 0.000 6.016 -0.697) 6.056 1.052 ( 0.000 -2.692 5.069) 5.740 1.052 ( 0.000 2.692 5.069) 5.740 1.101 ( 0.000 -3.923 7.081) 8.095 1.101 ( 0.000 3.923 7.081) 8.095 1.284 ( 0.000 -5.829 -4.547) 7.393 1.284 ( 0.000 5.829 -4.547) 7.393 1.435 ( 0.000 -11.337 0.673) 11.357 1.435 ( 0.000 11.337 0.673) 11.357 1.516 ( 0.000 -5.716 4.442) 7.239 1.516 ( 0.000 5.716 4.442) 7.239 1.557 ( 0.000 -6.897 4.847) 8.430 1.557 ( 0.000 6.897 4.847) 8.430 1.654 ( 0.000 -4.820 4.818) 6.815 1.654 ( 0.000 4.820 4.818) 6.815 1.738 ( 0.000 -3.241 -2.767) 4.261 1.738 ( 0.000 3.241 -2.767) 4.261 1.798 ( 0.000 -3.737 0.231) 3.744 1.798 ( 0.000 3.737 0.231) 3.744 1.890 ( 0.000 -0.181 4.618) 4.622 1.890 ( 0.000 0.181 4.618) 4.622 1.910 ( 0.000 -5.637 -3.990) 6.906 1.910 ( 0.000 5.637 -3.990) 6.906 2.010 ( 0.000 -1.388 0.690) 1.550 2.010 ( 0.000 1.388 0.690) 1.550 2.040 ( 0.000 -2.911 -0.314) 2.928 2.040 ( 0.000 2.911 -0.314) 2.928 2.140 ( 0.000 -2.326 -2.621) 3.504 2.140 ( 0.000 2.326 -2.621) 3.504 2.193 ( 0.000 -2.840 -1.728) 3.325 2.193 ( 0.000 2.840 -1.728) 3.325 2.212 ( 0.000 -1.438 0.704) 1.602 2.212 ( 0.000 1.438 0.704) 1.602 2.217 ( 0.000 -4.706 0.667) 4.753 2.217 ( 0.000 4.706 0.667) 4.753 2.306 ( 0.000 -2.646 1.931) 3.276 2.306 ( 0.000 2.646 1.931) 3.276 2.414 ( 0.000 -2.540 -2.938) 3.884 2.414 ( 0.000 2.540 -2.938) 3.884 2.462 ( 0.000 -2.833 -3.036) 4.152 2.462 ( 0.000 2.833 -3.036) 4.152 2.489 ( 0.000 -1.067 -0.322) 1.114 2.489 ( 0.000 1.067 -0.322) 1.114 2.575 ( 0.000 -3.402 0.004) 3.402 2.575 ( 0.000 3.402 0.004) 3.402 2.612 ( 0.000 -5.733 2.046) 6.087 2.612 ( 0.000 5.733 2.046) 6.087 2.688 ( 0.000 -2.460 -2.470) 3.486 2.688 ( 0.000 2.460 -2.470) 3.486 2.758 ( 0.000 -2.183 3.453) 4.085 2.758 ( 0.000 2.183 3.453) 4.085 2.868 ( 0.000 -4.100 -2.951) 5.052 2.868 ( 0.000 4.100 -2.951) 5.052 3.003 ( 0.000 -2.767 0.658) 2.844 3.003 ( 0.000 2.767 0.658) 2.844 3.004 ( 0.000 -5.486 1.467) 5.678 3.004 ( 0.000 5.486 1.467) 5.678 3.038 ( 0.000 -0.416 -0.077) 0.424 3.038 ( 0.000 0.416 -0.077) 0.424 3.068 ( 0.000 -1.887 2.544) 3.167 3.068 ( 0.000 1.887 2.544) 3.167 3.142 ( 0.000 -1.883 5.168) 5.501 3.142 ( 0.000 1.883 5.168) 5.501 3.154 ( 0.000 -2.114 0.954) 2.319 3.154 ( 0.000 2.114 0.954) 2.319 3.224 ( 0.000 -0.823 -1.338) 1.571 3.224 ( 0.000 0.823 -1.338) 1.571 3.234 ( 0.000 -2.664 2.223) 3.469 3.234 ( 0.000 2.664 2.223) 3.469 3.290 ( 0.000 -3.077 0.610) 3.137 3.290 ( 0.000 3.077 0.610) 3.137 3.352 ( 0.000 -0.772 2.679) 2.788 3.352 ( 0.000 0.772 2.679) 2.788 3.433 ( 0.000 -2.092 3.849) 4.381 3.433 ( 0.000 2.092 3.849) 4.381 3.512 ( 0.000 -0.878 0.798) 1.186 3.512 ( 0.000 0.878 0.798) 1.186 3.544 ( 0.000 -1.067 1.945) 2.218 3.544 ( 0.000 1.067 1.945) 2.218 3.661 ( 0.000 -1.090 -0.681) 1.285 3.661 ( 0.000 1.090 -0.681) 1.285 3.675 ( 0.000 -2.039 3.845) 4.352 3.675 ( 0.000 2.039 3.845) 4.352 3.772 ( 0.000 -1.821 -2.054) 2.745 3.772 ( 0.000 1.821 -2.054) 2.745 3.917 ( 0.000 -6.260 2.328) 6.679 3.917 ( 0.000 6.260 2.328) 6.679 3.949 ( 0.000 -1.054 1.506) 1.838 3.949 ( 0.000 1.054 1.506) 1.838 4.089 ( 0.000 -1.845 -1.187) 2.193 4.089 ( 0.000 1.845 -1.187) 2.193 4.189 ( 0.000 -0.979 -3.497) 3.632 4.189 ( 0.000 0.979 -3.497) 3.632 4.216 ( 0.000 -0.692 -2.903) 2.985 4.216 ( 0.000 0.692 -2.903) 2.985 4.268 ( 0.000 -1.039 -1.843) 2.115 4.268 ( 0.000 1.039 -1.843) 2.115 4.308 ( 0.000 -6.368 1.057) 6.455 4.308 ( 0.000 6.368 1.057) 6.455 4.628 ( 0.000 -0.798 -5.221) 5.282 4.628 ( 0.000 0.798 -5.221) 5.282 4.804 ( 0.000 -0.164 -0.074) 0.180 4.804 ( 0.000 0.164 -0.074) 0.180 4.805 ( 0.000 -1.567 -2.133) 2.647 4.805 ( 0.000 1.567 -2.133) 2.647 4.896 ( 0.000 -1.098 0.536) 1.221 4.896 ( 0.000 1.098 0.536) 1.221 4.902 ( 0.000 -2.691 -4.776) 5.482 4.902 ( 0.000 2.691 -4.776) 5.482 4.964 ( 0.000 -2.371 -0.361) 2.398 4.964 ( 0.000 2.371 -0.361) 2.398 5.098 ( 0.000 -0.726 -1.562) 1.722 5.098 ( 0.000 0.726 -1.562) 1.722 5.256 ( 0.000 -2.637 -8.269) 8.679 5.256 ( 0.000 2.637 -8.269) 8.679 5.287 ( 0.000 -0.491 6.920) 6.938 5.287 ( 0.000 0.491 6.920) 6.938 5.436 ( 0.000 -4.118 1.040) 4.248 5.436 ( 0.000 4.118 1.040) 4.248 5.637 ( 0.000 -1.736 3.481) 3.890 5.637 ( 0.000 1.736 3.481) 3.890 5.833 ( 0.000 -2.659 -1.092) 2.874 5.833 ( 0.000 2.659 -1.092) 2.874 5.911 ( 0.000 -5.019 -0.575) 5.052 5.911 ( 0.000 5.019 -0.575) 5.052 6.113 ( 0.000 -1.136 -4.768) 4.901 6.113 ( 0.000 1.136 -4.768) 4.901 6.361 ( 0.000 -1.138 -4.394) 4.539 6.361 ( 0.000 1.138 -4.394) 4.539 6.497 ( 0.000 -7.948 -11.642) 14.097 6.497 ( 0.000 7.948 -11.642) 14.097 10.180 ( 0.000 -1.626 2.998) 3.411 10.180 ( 0.000 1.626 2.998) 3.411 10.237 ( 0.000 -0.135 3.320) 3.323 10.237 ( 0.000 0.135 3.320) 3.323 10.318 ( 0.000 -1.734 2.159) 2.769 10.318 ( 0.000 1.734 2.159) 2.769 10.412 ( 0.000 -1.418 3.706) 3.968 10.412 ( 0.000 1.418 3.706) 3.968 10.642 ( 0.000 -1.852 1.521) 2.396 10.642 ( 0.000 1.852 1.521) 2.396 10.818 ( 0.000 -7.281 12.123) 14.142 10.818 ( 0.000 7.281 12.123) 14.142 10.843 ( 0.000 -2.312 -0.026) 2.312 10.843 ( 0.000 2.312 -0.026) 2.312 11.026 ( 0.000 -1.488 0.594) 1.603 11.026 ( 0.000 1.488 0.594) 1.603 18.959 ( 0.000 -0.130 0.392) 0.413 18.959 ( 0.000 0.130 0.392) 0.413 19.031 ( 0.000 -0.238 -0.838) 0.871 19.031 ( 0.000 0.238 -0.838) 0.871 27.025 ( 0.000 -0.554 3.292) 3.338 27.025 ( 0.000 0.554 3.292) 3.338 27.128 ( 0.000 -4.597 5.237) 6.968 27.128 ( 0.000 4.597 5.237) 6.968 27.448 ( 0.000 -0.330 -0.697) 0.771 27.448 ( 0.000 0.330 -0.697) 0.771 27.499 ( 0.000 -0.126 -0.708) 0.719 27.499 ( 0.000 0.126 -0.708) 0.719 29.252 ( 0.000 -0.161 0.625) 0.645 29.252 ( 0.000 0.161 0.625) 0.645 29.279 ( 0.000 -0.938 0.103) 0.943 29.279 ( 0.000 0.938 0.103) 0.943 29.323 ( 0.000 -0.833 0.116) 0.841 29.323 ( 0.000 0.833 0.116) 0.841 29.469 ( 0.000 -5.114 -1.329) 5.284 29.469 ( 0.000 5.114 -1.329) 5.284 30.700 ( 0.000 -0.651 0.142) 0.666 30.700 ( 0.000 0.651 0.142) 0.666 30.798 ( 0.000 -0.128 1.058) 1.066 30.798 ( 0.000 0.128 1.058) 1.066 30.812 ( 0.000 -0.336 -1.365) 1.405 30.812 ( 0.000 0.336 -1.365) 1.405 30.895 ( 0.000 -1.119 0.346) 1.171 30.895 ( 0.000 1.119 0.346) 1.171 35.055 ( 0.000 -0.908 8.662) 8.709 35.055 ( 0.000 0.908 8.662) 8.709 36.122 ( 0.000 -0.358 -4.340) 4.354 36.122 ( 0.000 0.358 -4.340) 4.354 36.736 ( 0.000 -0.123 1.265) 1.271 36.736 ( 0.000 0.123 1.265) 1.271 37.022 ( 0.000 -0.990 -1.925) 2.164 37.022 ( 0.000 0.990 -1.925) 2.164 48.088 ( 0.000 -0.245 0.176) 0.302 48.088 ( 0.000 0.245 0.176) 0.302 48.126 ( 0.000 -0.102 0.257) 0.276 48.126 ( 0.000 0.102 0.257) 0.276 48.167 ( 0.000 -0.379 -0.216) 0.436 48.167 ( 0.000 0.379 -0.216) 0.436 48.241 ( 0.000 -0.728 -0.458) 0.860 48.241 ( 0.000 0.728 -0.458) 0.860 49.773 ( 0.000 -0.291 16.079) 16.081 49.773 ( 0.000 0.291 16.079) 16.081 54.765 ( 0.000 -2.550 -70.939) 70.985 54.765 ( 0.000 2.550 -70.939) 70.985 85.266 ( 0.000 -0.971 1.485) 1.774 85.266 ( 0.000 0.971 1.485) 1.774 85.269 ( 0.000 -1.453 0.581) 1.565 85.269 ( 0.000 1.453 0.581) 1.565 85.451 ( 0.000 -1.603 9.835) 9.965 85.451 ( 0.000 1.603 9.835) 9.965 85.707 ( 0.000 -12.587 12.707) 17.886 85.707 ( 0.000 12.587 12.707) 17.886 86.386 ( 0.000 -1.792 1.242) 2.181 86.386 ( 0.000 1.792 1.242) 2.181 86.483 ( 0.000 -0.093 -2.071) 2.073 86.483 ( 0.000 0.093 -2.071) 2.073 86.659 ( 0.000 -0.526 6.052) 6.075 86.659 ( 0.000 0.526 6.052) 6.075 87.012 ( 0.000 -12.756 8.847) 15.523 87.012 ( 0.000 12.756 8.847) 15.523 ======================= Grid point 37 (17/36) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 8.042 -3.545 6.535) 10.952 0.607 ( 8.042 3.545 6.535) 10.952 0.783 ( 5.624 -7.509 11.287) 14.677 0.783 ( 5.624 7.509 11.287) 14.677 0.914 ( -1.672 -4.817 8.714) 10.096 0.914 ( -1.672 4.817 8.714) 10.096 1.090 ( 4.400 -4.060 0.742) 6.032 1.090 ( 4.400 4.060 0.742) 6.032 1.101 ( -2.730 -1.894 1.087) 3.496 1.101 ( -2.730 1.894 1.087) 3.496 1.274 ( -0.271 -1.854 3.701) 4.148 1.274 ( -0.271 1.854 3.701) 4.148 1.414 ( -1.967 -2.844 -0.423) 3.484 1.414 ( -1.967 2.844 -0.423) 3.484 1.460 ( -1.035 -2.477 4.834) 5.529 1.460 ( -1.035 2.477 4.834) 5.529 1.569 ( 1.079 -1.599 0.358) 1.962 1.569 ( 1.079 1.599 0.358) 1.962 1.611 ( -2.663 -8.240 6.229) 10.667 1.611 ( -2.663 8.240 6.229) 10.667 1.729 ( 0.043 -4.977 -2.418) 5.533 1.729 ( 0.043 4.977 -2.418) 5.533 1.862 ( 2.237 -1.176 -0.148) 2.532 1.862 ( 2.237 1.176 -0.148) 2.532 1.899 ( 0.633 -3.718 0.768) 3.849 1.899 ( 0.633 3.718 0.768) 3.849 1.934 ( 0.231 -1.165 3.033) 3.257 1.934 ( 0.231 1.165 3.033) 3.257 1.981 ( -1.131 -3.392 0.467) 3.606 1.981 ( -1.131 3.392 0.467) 3.606 2.055 ( 0.011 -2.607 -1.618) 3.068 2.055 ( 0.011 2.607 -1.618) 3.068 2.114 ( -1.076 -0.293 -0.549) 1.243 2.114 ( -1.076 0.293 -0.549) 1.243 2.177 ( -1.361 -0.662 -0.157) 1.522 2.177 ( -1.361 0.662 -0.157) 1.522 2.193 ( 0.025 -3.357 -2.886) 4.428 2.193 ( 0.025 3.357 -2.886) 4.428 2.241 ( -3.680 -3.909 -0.174) 5.372 2.241 ( -3.680 3.909 -0.174) 5.372 2.276 ( -0.677 -2.622 1.645) 3.169 2.276 ( -0.677 2.622 1.645) 3.169 2.360 ( -1.433 -1.658 -0.363) 2.222 2.360 ( -1.433 1.658 -0.363) 2.222 2.425 ( -0.730 -1.159 -2.982) 3.282 2.425 ( -0.730 1.159 -2.982) 3.282 2.499 ( 0.022 -1.641 0.236) 1.658 2.499 ( 0.022 1.641 0.236) 1.658 2.533 ( -1.577 -3.026 0.904) 3.530 2.533 ( -1.577 3.026 0.904) 3.530 2.668 ( 2.080 -1.176 -2.002) 3.117 2.668 ( 2.080 1.176 -2.002) 3.117 2.707 ( 0.503 -0.763 0.031) 0.915 2.707 ( 0.503 0.763 0.031) 0.915 2.763 ( 0.893 -1.662 1.426) 2.365 2.763 ( 0.893 1.662 1.426) 2.365 2.878 ( 0.080 -2.083 -2.410) 3.186 2.878 ( 0.080 2.083 -2.410) 3.186 2.949 ( -2.622 -0.596 -0.080) 2.690 2.949 ( -2.622 0.596 -0.080) 2.690 2.973 ( -1.263 -1.046 1.163) 2.010 2.973 ( -1.263 1.046 1.163) 2.010 3.042 ( -0.270 -1.287 2.523) 2.845 3.042 ( -0.270 1.287 2.523) 2.845 3.098 ( 0.241 -1.855 4.105) 4.511 3.098 ( 0.241 1.855 4.105) 4.511 3.152 ( 1.410 -3.443 4.913) 6.163 3.152 ( 1.410 3.443 4.913) 6.163 3.179 ( 1.678 -3.030 1.520) 3.782 3.179 ( 1.678 3.030 1.520) 3.782 3.230 ( 1.013 -1.510 -0.051) 1.819 3.230 ( 1.013 1.510 -0.051) 1.819 3.282 ( 2.459 -2.639 0.865) 3.709 3.282 ( 2.459 2.639 0.865) 3.709 3.322 ( 2.415 -2.582 -0.467) 3.566 3.322 ( 2.415 2.582 -0.467) 3.566 3.349 ( 0.050 -0.728 0.945) 1.194 3.349 ( 0.050 0.728 0.945) 1.194 3.428 ( 0.003 -1.526 2.768) 3.160 3.428 ( 0.003 1.526 2.768) 3.160 3.520 ( 0.079 -1.155 2.375) 2.642 3.520 ( 0.079 1.155 2.375) 2.642 3.534 ( -1.622 -0.367 2.160) 2.726 3.534 ( -1.622 0.367 2.160) 2.726 3.585 ( -0.993 -0.969 1.409) 1.977 3.585 ( -0.993 0.969 1.409) 1.977 3.721 ( -0.426 -3.439 -1.694) 3.857 3.721 ( -0.426 3.439 -1.694) 3.857 3.766 ( 0.144 -1.380 0.933) 1.672 3.766 ( 0.144 1.380 0.933) 1.672 3.952 ( 1.332 -2.556 0.539) 2.932 3.952 ( 1.332 2.556 0.539) 2.932 3.973 ( 2.405 -3.444 -0.403) 4.220 3.973 ( 2.405 3.444 -0.403) 4.220 4.082 ( -0.269 -2.842 -0.422) 2.886 4.082 ( -0.269 2.842 -0.422) 2.886 4.192 ( 0.374 -0.726 -3.281) 3.381 4.192 ( 0.374 0.726 -3.281) 3.381 4.220 ( 0.306 -0.129 -2.519) 2.540 4.220 ( 0.306 0.129 -2.519) 2.540 4.249 ( -1.155 -1.851 -1.438) 2.613 4.249 ( -1.155 1.851 -1.438) 2.613 4.340 ( 2.079 -4.511 0.232) 4.973 4.340 ( 2.079 4.511 0.232) 4.973 4.617 ( -0.949 -0.691 -4.128) 4.292 4.617 ( -0.949 0.691 -4.128) 4.292 4.776 ( -1.211 -0.690 -2.233) 2.633 4.776 ( -1.211 0.690 -2.233) 2.633 4.824 ( 0.445 -0.372 0.330) 0.667 4.824 ( 0.445 0.372 0.330) 0.667 4.885 ( 0.334 -0.471 -2.407) 2.475 4.885 ( 0.334 0.471 -2.407) 2.475 4.935 ( 0.610 -0.873 -0.240) 1.091 4.935 ( 0.610 0.873 -0.240) 1.091 4.962 ( 0.706 -1.750 -3.082) 3.614 4.962 ( 0.706 1.750 -3.082) 3.614 5.093 ( -0.382 -0.603 -1.694) 1.838 5.093 ( -0.382 0.603 -1.694) 1.838 5.203 ( -2.623 -0.856 -1.726) 3.254 5.203 ( -2.623 0.856 -1.726) 3.254 5.337 ( 2.089 -3.379 1.085) 4.118 5.337 ( 2.089 3.379 1.085) 4.118 5.409 ( -1.585 -5.279 0.141) 5.513 5.409 ( -1.585 5.279 0.141) 5.513 5.694 ( 4.286 -2.143 1.925) 5.164 5.694 ( 4.286 2.143 1.925) 5.164 5.819 ( -0.616 -0.348 -0.549) 0.895 5.819 ( -0.616 0.348 -0.549) 0.895 5.903 ( -1.358 -1.533 2.811) 3.478 5.903 ( -1.358 1.533 2.811) 3.478 6.119 ( 0.519 -0.699 -6.111) 6.172 6.119 ( 0.519 0.699 -6.111) 6.172 6.358 ( -0.079 -0.937 -4.430) 4.528 6.358 ( -0.079 0.937 -4.430) 4.528 6.476 ( -1.694 -5.472 -11.127) 12.515 6.476 ( -1.694 5.472 -11.127) 12.515 10.193 ( 1.108 -1.216 3.164) 3.566 10.193 ( 1.108 1.216 3.164) 3.566 10.233 ( -0.457 -0.231 3.218) 3.259 10.233 ( -0.457 0.231 3.218) 3.259 10.323 ( 0.539 -1.210 2.136) 2.513 10.323 ( 0.539 1.210 2.136) 2.513 10.394 ( -1.662 -0.979 4.130) 4.558 10.394 ( -1.662 0.979 4.130) 4.558 10.616 ( -1.903 -1.373 2.523) 3.446 10.616 ( -1.903 1.373 2.523) 3.446 10.760 ( -2.154 -1.933 9.318) 9.757 10.760 ( -2.154 1.933 9.318) 9.757 10.907 ( 2.692 -1.108 -0.006) 2.911 10.907 ( 2.692 1.108 -0.006) 2.911 11.023 ( -0.352 -1.066 0.849) 1.408 11.023 ( -0.352 1.066 0.849) 1.408 18.959 ( -0.021 -0.091 0.380) 0.391 18.959 ( -0.021 0.091 0.380) 0.391 19.028 ( -0.215 -0.177 -0.667) 0.723 19.028 ( -0.215 0.177 -0.667) 0.723 27.035 ( 0.882 -0.769 3.594) 3.780 27.035 ( 0.882 0.769 3.594) 3.780 27.110 ( -1.494 -3.297 4.752) 5.974 27.110 ( -1.494 3.297 4.752) 5.974 27.453 ( 0.589 -0.295 -0.775) 1.017 27.453 ( 0.589 0.295 -0.775) 1.017 27.491 ( -0.767 -0.141 -0.743) 1.077 27.491 ( -0.767 0.141 -0.743) 1.077 29.249 ( -0.127 -0.055 0.480) 0.499 29.249 ( -0.127 0.055 0.480) 0.499 29.280 ( -0.041 -0.242 0.319) 0.402 29.280 ( -0.041 0.242 0.319) 0.402 29.330 ( 0.487 -0.685 0.465) 0.961 29.330 ( 0.487 0.685 0.465) 0.961 29.490 ( 1.513 -3.352 -2.505) 4.450 29.490 ( 1.513 3.352 -2.505) 4.450 30.711 ( 0.993 -0.534 0.247) 1.155 30.711 ( 0.993 0.534 0.247) 1.155 30.781 ( -1.247 -0.111 0.403) 1.316 30.781 ( -1.247 0.111 0.403) 1.316 30.829 ( 1.229 -0.107 -0.632) 1.386 30.829 ( 1.229 0.107 -0.632) 1.386 30.886 ( -0.892 -0.874 0.147) 1.257 30.886 ( -0.892 0.874 0.147) 1.257 35.052 ( -0.216 -0.541 8.511) 8.531 35.052 ( -0.216 0.541 8.511) 8.531 36.122 ( -0.006 -0.253 -4.343) 4.350 36.122 ( -0.006 0.253 -4.343) 4.350 36.736 ( -0.011 -0.090 1.277) 1.280 36.736 ( -0.011 0.090 1.277) 1.280 37.038 ( 1.109 -0.370 -2.315) 2.593 37.038 ( 1.109 0.370 -2.315) 2.593 48.090 ( 0.140 -0.190 0.137) 0.273 48.090 ( 0.140 0.190 0.137) 0.273 48.131 ( 0.442 -0.140 0.271) 0.537 48.131 ( 0.442 0.140 0.271) 0.537 48.160 ( -0.574 -0.280 -0.208) 0.672 48.160 ( -0.574 0.280 -0.208) 0.672 48.241 ( 0.012 -0.498 -0.469) 0.684 48.241 ( 0.012 0.498 -0.469) 0.684 49.776 ( 0.253 -0.183 15.974) 15.977 49.776 ( 0.253 0.183 15.974) 15.977 54.473 ( -20.554 -7.047 -55.767) 59.851 54.473 ( -20.554 7.047 -55.767) 59.851 85.265 ( 0.124 -0.132 2.624) 2.630 85.265 ( 0.124 0.132 2.624) 2.630 85.276 ( 0.361 -0.373 -0.182) 0.550 85.276 ( 0.361 0.373 -0.182) 0.550 85.470 ( 1.908 -0.971 10.868) 11.077 85.470 ( 1.908 0.971 10.868) 11.077 85.645 ( -5.052 -8.485 12.871) 16.223 85.645 ( -5.052 8.485 12.871) 16.223 86.360 ( -1.195 -2.096 1.526) 2.854 86.360 ( -1.195 2.096 1.526) 2.854 86.482 ( -1.207 -1.606 -2.340) 3.084 86.482 ( -1.207 1.606 -2.340) 3.084 86.662 ( 0.791 -0.371 5.838) 5.903 86.662 ( 0.791 0.371 5.838) 5.903 86.980 ( -2.199 -7.679 6.429) 10.253 86.980 ( -2.199 7.679 6.429) 10.253 ======================= Grid point 39 (18/36) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.000 0.000 4.608) 4.608 0.783 ( -0.000 0.000 4.608) 4.608 0.803 ( -0.000 -0.000 8.337) 8.337 0.803 ( 0.000 0.000 8.337) 8.337 0.924 ( -0.000 0.000 -0.886) 0.886 0.924 ( -0.000 0.000 -0.886) 0.886 0.973 ( 0.000 -0.000 11.966) 11.966 0.973 ( 0.000 -0.000 11.966) 11.966 1.153 ( 0.000 0.000 -1.640) 1.640 1.153 ( 0.000 0.000 -1.640) 1.640 1.335 ( -0.000 0.000 6.858) 6.858 1.335 ( 0.000 0.000 6.858) 6.858 1.338 ( -0.000 -0.000 1.513) 1.513 1.338 ( 0.000 -0.000 1.513) 1.513 1.521 ( 0.000 -0.000 1.299) 1.299 1.521 ( 0.000 0.000 1.299) 1.299 1.528 ( -0.000 -0.000 10.285) 10.285 1.528 ( -0.000 0.000 10.285) 10.285 1.617 ( -0.000 0.000 -5.952) 5.952 1.617 ( 0.000 0.000 -5.952) 5.952 1.726 ( 0.000 0.000 -1.538) 1.538 1.726 ( 0.000 0.000 -1.538) 1.538 1.868 ( -0.000 0.000 2.983) 2.983 1.868 ( 0.000 0.000 2.983) 2.983 1.894 ( 0.000 -0.000 -0.811) 0.811 1.894 ( 0.000 0.000 -0.811) 0.811 1.937 ( 0.000 0.000 4.100) 4.100 1.937 ( -0.000 0.000 4.100) 4.100 1.963 ( 0.000 -0.000 1.641) 1.641 1.963 ( 0.000 -0.000 1.641) 1.641 2.022 ( 0.000 0.000 -0.912) 0.912 2.022 ( 0.000 0.000 -0.912) 0.912 2.120 ( 0.000 0.000 -2.691) 2.691 2.120 ( 0.000 0.000 -2.691) 2.691 2.161 ( -0.000 0.000 -0.324) 0.324 2.161 ( 0.000 0.000 -0.324) 0.324 2.163 ( -0.000 -0.000 1.084) 1.084 2.163 ( 0.000 -0.000 1.084) 1.084 2.213 ( 0.000 -0.000 -0.007) 0.007 2.213 ( 0.000 0.000 -0.007) 0.007 2.287 ( 0.000 0.000 -1.798) 1.798 2.287 ( 0.000 0.000 -1.798) 1.798 2.375 ( 0.000 0.000 -3.007) 3.007 2.375 ( 0.000 0.000 -3.007) 3.007 2.396 ( 0.000 -0.000 -0.433) 0.433 2.396 ( 0.000 0.000 -0.433) 0.433 2.504 ( 0.000 0.000 0.640) 0.640 2.504 ( 0.000 0.000 0.640) 0.640 2.514 ( 0.000 -0.000 1.524) 1.524 2.514 ( 0.000 -0.000 1.524) 1.524 2.693 ( 0.000 0.000 -3.626) 3.626 2.693 ( 0.000 0.000 -3.626) 3.626 2.708 ( 0.000 -0.000 1.243) 1.243 2.708 ( 0.000 0.000 1.243) 1.243 2.764 ( 0.000 0.000 -0.432) 0.432 2.764 ( 0.000 0.000 -0.432) 0.432 2.891 ( 0.000 0.000 -0.927) 0.927 2.891 ( 0.000 0.000 -0.927) 0.927 2.901 ( -0.000 -0.000 -0.301) 0.301 2.901 ( 0.000 0.000 -0.301) 0.301 2.992 ( 0.000 0.000 1.436) 1.436 2.992 ( 0.000 0.000 1.436) 1.436 3.016 ( -0.000 0.000 2.830) 2.830 3.016 ( -0.000 0.000 2.830) 2.830 3.094 ( 0.000 0.000 5.594) 5.594 3.094 ( 0.000 0.000 5.594) 5.594 3.180 ( 0.000 -0.000 3.541) 3.541 3.180 ( 0.000 0.000 3.541) 3.541 3.198 ( 0.000 0.000 2.513) 2.513 3.198 ( 0.000 0.000 2.513) 2.513 3.237 ( -0.000 -0.000 1.797) 1.797 3.237 ( -0.000 0.000 1.797) 1.797 3.320 ( -0.000 -0.000 -2.470) 2.470 3.320 ( 0.000 0.000 -2.470) 2.470 3.323 ( 0.000 -0.000 2.531) 2.531 3.323 ( 0.000 0.000 2.531) 2.531 3.365 ( 0.000 0.000 -0.274) 0.274 3.365 ( 0.000 0.000 -0.274) 0.274 3.451 ( 0.000 0.000 1.571) 1.571 3.451 ( 0.000 0.000 1.571) 1.571 3.491 ( 0.000 0.000 0.564) 0.564 3.491 ( 0.000 0.000 0.564) 0.564 3.519 ( 0.000 -0.000 3.924) 3.924 3.519 ( 0.000 0.000 3.924) 3.924 3.599 ( 0.000 0.000 0.586) 0.586 3.599 ( 0.000 0.000 0.586) 0.586 3.702 ( 0.000 0.000 -1.441) 1.441 3.702 ( 0.000 0.000 -1.441) 1.441 3.769 ( 0.000 0.000 1.080) 1.080 3.769 ( 0.000 0.000 1.080) 1.080 3.970 ( 0.000 -0.000 1.365) 1.365 3.970 ( 0.000 0.000 1.365) 1.365 3.991 ( 0.000 -0.000 -3.923) 3.923 3.991 ( 0.000 0.000 -3.923) 3.923 4.085 ( 0.000 0.000 -0.085) 0.085 4.085 ( 0.000 0.000 -0.085) 0.085 4.207 ( -0.000 -0.000 -1.943) 1.943 4.207 ( -0.000 0.000 -1.943) 1.943 4.211 ( -0.000 0.000 -4.240) 4.240 4.211 ( 0.000 0.000 -4.240) 4.240 4.240 ( 0.000 0.000 -0.237) 0.237 4.240 ( 0.000 0.000 -0.237) 0.237 4.366 ( 0.000 0.000 -0.280) 0.280 4.366 ( 0.000 0.000 -0.280) 0.280 4.602 ( 0.000 0.000 -2.752) 2.752 4.602 ( 0.000 0.000 -2.752) 2.752 4.762 ( 0.000 0.000 -2.844) 2.844 4.762 ( 0.000 0.000 -2.844) 2.844 4.827 ( 0.000 0.000 0.674) 0.674 4.827 ( 0.000 0.000 0.674) 0.674 4.895 ( -0.000 0.000 -2.421) 2.421 4.895 ( 0.000 0.000 -2.421) 2.421 4.928 ( 0.000 0.000 0.618) 0.618 4.928 ( 0.000 0.000 0.618) 0.618 4.982 ( 0.000 0.000 -4.867) 4.867 4.982 ( 0.000 0.000 -4.867) 4.867 5.089 ( 0.000 0.000 -1.855) 1.855 5.089 ( 0.000 0.000 -1.855) 1.855 5.171 ( 0.000 0.000 -0.831) 0.831 5.171 ( -0.000 0.000 -0.831) 0.831 5.352 ( 0.000 -0.000 2.522) 2.522 5.352 ( 0.000 0.000 2.522) 2.522 5.397 ( 0.000 0.000 -2.235) 2.235 5.397 ( 0.000 0.000 -2.235) 2.235 5.750 ( 0.000 0.000 -2.359) 2.359 5.750 ( 0.000 0.000 -2.359) 2.359 5.834 ( 0.000 -0.000 0.131) 0.131 5.834 ( 0.000 0.000 0.131) 0.131 5.860 ( 0.000 0.000 8.497) 8.497 5.860 ( -0.000 0.000 8.497) 8.497 6.126 ( 0.000 0.000 -7.196) 7.196 6.126 ( 0.000 0.000 -7.196) 7.196 6.359 ( 0.000 0.000 -4.146) 4.146 6.359 ( 0.000 0.000 -4.146) 4.146 6.452 ( -0.000 0.000 -10.940) 10.940 6.452 ( 0.000 0.000 -10.940) 10.940 10.215 ( -0.000 0.000 3.220) 3.220 10.215 ( 0.000 0.000 3.220) 3.220 10.219 ( -0.000 -0.000 3.403) 3.403 10.219 ( 0.000 -0.000 3.403) 3.403 10.338 ( 0.000 0.000 0.437) 0.437 10.338 ( 0.000 0.000 0.437) 0.437 10.362 ( -0.000 0.000 6.090) 6.090 10.362 ( 0.000 0.000 6.090) 6.090 10.593 ( 0.000 0.000 3.208) 3.208 10.593 ( 0.000 0.000 3.208) 3.208 10.739 ( 0.000 0.000 8.497) 8.497 10.739 ( 0.000 0.000 8.497) 8.497 10.937 ( 0.000 0.000 -1.895) 1.895 10.937 ( 0.000 0.000 -1.895) 1.895 11.017 ( 0.000 0.000 1.298) 1.298 11.017 ( 0.000 0.000 1.298) 1.298 18.959 ( 0.000 0.000 0.375) 0.375 18.959 ( 0.000 0.000 0.375) 0.375 19.026 ( 0.000 0.000 -0.537) 0.537 19.026 ( 0.000 0.000 -0.537) 0.537 27.051 ( 0.000 0.000 4.412) 4.412 27.051 ( 0.000 0.000 4.412) 4.412 27.086 ( 0.000 0.000 3.723) 3.723 27.086 ( 0.000 0.000 3.723) 3.723 27.471 ( -0.000 0.000 -0.741) 0.741 27.471 ( 0.000 0.000 -0.741) 0.741 27.471 ( -0.000 0.000 -0.869) 0.869 27.471 ( 0.000 -0.000 -0.869) 0.869 29.248 ( 0.000 0.000 0.427) 0.427 29.248 ( 0.000 0.000 0.427) 0.427 29.279 ( 0.000 0.000 0.413) 0.413 29.279 ( 0.000 0.000 0.413) 0.413 29.336 ( 0.000 0.000 0.745) 0.745 29.336 ( 0.000 0.000 0.745) 0.745 29.509 ( 0.000 0.000 -3.384) 3.384 29.509 ( 0.000 0.000 -3.384) 3.384 30.730 ( 0.000 0.000 0.528) 0.528 30.730 ( 0.000 0.000 0.528) 0.528 30.760 ( 0.000 0.000 0.086) 0.086 30.760 ( 0.000 0.000 0.086) 0.086 30.853 ( -0.000 0.000 -0.140) 0.140 30.853 ( 0.000 0.000 -0.140) 0.140 30.865 ( -0.000 0.000 -0.318) 0.318 30.865 ( 0.000 0.000 -0.318) 0.318 35.049 ( 0.000 0.000 8.368) 8.368 35.049 ( 0.000 0.000 8.368) 8.368 36.122 ( 0.000 0.000 -4.346) 4.346 36.122 ( 0.000 0.000 -4.346) 4.346 36.736 ( 0.000 0.000 1.287) 1.287 36.736 ( 0.000 0.000 1.287) 1.287 37.052 ( 0.000 0.000 -2.610) 2.610 37.052 ( 0.000 0.000 -2.610) 2.610 48.092 ( 0.000 0.000 0.102) 0.102 48.092 ( 0.000 0.000 0.102) 0.102 48.140 ( 0.000 0.000 0.573) 0.573 48.140 ( 0.000 0.000 0.573) 0.573 48.150 ( 0.000 0.000 -0.493) 0.493 48.150 ( 0.000 0.000 -0.493) 0.493 48.241 ( 0.000 0.000 -0.477) 0.477 48.241 ( 0.000 0.000 -0.477) 0.477 49.779 ( 0.000 0.000 15.879) 15.879 49.779 ( 0.000 0.000 15.879) 15.879 54.220 ( 0.000 0.000 -43.971) 43.971 54.220 ( 0.000 0.000 -43.971) 43.971 85.268 ( 0.000 0.000 3.352) 3.352 85.268 ( 0.000 0.000 3.352) 3.352 85.280 ( 0.000 0.000 -0.536) 0.536 85.280 ( 0.000 0.000 -0.536) 0.536 85.521 ( -0.000 0.000 16.489) 16.489 85.521 ( 0.000 0.000 16.489) 16.489 85.554 ( -0.000 0.000 7.869) 7.869 85.554 ( 0.000 -0.000 7.869) 7.869 86.351 ( 0.000 0.000 1.435) 1.435 86.351 ( 0.000 0.000 1.435) 1.435 86.457 ( 0.000 -0.000 -1.783) 1.783 86.457 ( 0.000 0.000 -1.783) 1.783 86.677 ( 0.000 0.000 4.934) 4.934 86.677 ( 0.000 0.000 4.934) 4.934 86.953 ( 0.000 0.000 4.481) 4.481 86.953 ( 0.000 0.000 4.481) 4.481 ======================= Grid point 50 (19/36) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 0.000 11.838) 11.838 0.564 ( 0.000 0.000 12.167) 12.167 0.799 ( 0.000 0.000 15.674) 15.674 0.870 ( 0.000 0.000 1.783) 1.783 1.046 ( 0.000 0.000 -3.007) 3.007 1.106 ( 0.000 0.000 3.996) 3.996 1.126 ( 0.000 0.000 15.488) 15.488 1.218 ( 0.000 0.000 -1.913) 1.913 1.282 ( 0.000 0.000 3.189) 3.189 1.353 ( 0.000 0.000 5.480) 5.480 1.368 ( 0.000 0.000 6.421) 6.421 1.380 ( 0.000 0.000 5.388) 5.388 1.385 ( 0.000 0.000 -1.877) 1.877 1.418 ( 0.000 0.000 21.974) 21.974 1.450 ( 0.000 0.000 -6.347) 6.347 1.498 ( 0.000 0.000 -7.241) 7.241 1.562 ( 0.000 0.000 8.096) 8.096 1.595 ( 0.000 0.000 5.350) 5.350 1.650 ( 0.000 0.000 3.116) 3.116 1.688 ( 0.000 0.000 0.473) 0.473 1.732 ( 0.000 0.000 4.463) 4.463 1.753 ( 0.000 0.000 0.987) 0.987 1.849 ( 0.000 0.000 -6.681) 6.681 1.860 ( 0.000 0.000 -1.514) 1.514 1.877 ( 0.000 0.000 -0.044) 0.044 1.888 ( 0.000 0.000 2.824) 2.824 1.947 ( 0.000 0.000 4.748) 4.748 1.956 ( 0.000 0.000 -0.333) 0.333 1.977 ( 0.000 0.000 -2.319) 2.319 1.989 ( 0.000 0.000 -2.582) 2.582 2.004 ( 0.000 0.000 1.212) 1.212 2.007 ( 0.000 0.000 -5.243) 5.243 2.051 ( 0.000 0.000 -6.269) 6.269 2.119 ( 0.000 0.000 0.698) 0.698 2.139 ( 0.000 0.000 -1.166) 1.166 2.184 ( 0.000 0.000 2.994) 2.994 2.191 ( 0.000 0.000 -3.505) 3.505 2.215 ( 0.000 0.000 4.536) 4.536 2.243 ( 0.000 0.000 -1.842) 1.842 2.314 ( 0.000 0.000 1.088) 1.088 2.353 ( 0.000 0.000 -0.902) 0.902 2.381 ( 0.000 0.000 -1.743) 1.743 2.381 ( 0.000 0.000 2.484) 2.484 2.419 ( 0.000 0.000 -2.420) 2.420 2.426 ( 0.000 0.000 1.259) 1.259 2.550 ( 0.000 0.000 0.059) 0.059 2.553 ( 0.000 0.000 -0.442) 0.442 2.555 ( 0.000 0.000 6.463) 6.463 2.562 ( 0.000 0.000 1.470) 1.470 2.590 ( 0.000 0.000 -4.905) 4.905 2.654 ( 0.000 0.000 0.356) 0.356 2.684 ( 0.000 0.000 -2.592) 2.592 2.703 ( 0.000 0.000 -2.594) 2.594 2.707 ( 0.000 0.000 5.631) 5.631 2.791 ( 0.000 0.000 2.986) 2.986 2.819 ( 0.000 0.000 -1.740) 1.740 2.856 ( 0.000 0.000 3.733) 3.733 2.861 ( 0.000 0.000 -4.113) 4.113 2.929 ( 0.000 0.000 2.580) 2.580 2.945 ( 0.000 0.000 -2.792) 2.792 2.951 ( 0.000 0.000 3.259) 3.259 2.974 ( 0.000 0.000 -0.681) 0.681 3.033 ( 0.000 0.000 -1.502) 1.502 3.068 ( 0.000 0.000 1.600) 1.600 3.073 ( 0.000 0.000 1.952) 1.952 3.087 ( 0.000 0.000 -4.466) 4.466 3.125 ( 0.000 0.000 -2.022) 2.022 3.132 ( 0.000 0.000 4.159) 4.159 3.189 ( 0.000 0.000 0.821) 0.821 3.228 ( 0.000 0.000 5.664) 5.664 3.251 ( 0.000 0.000 4.989) 4.989 3.298 ( 0.000 0.000 6.173) 6.173 3.306 ( 0.000 0.000 -2.381) 2.381 3.309 ( 0.000 0.000 2.833) 2.833 3.315 ( 0.000 0.000 2.798) 2.798 3.360 ( 0.000 0.000 1.289) 1.289 3.408 ( 0.000 0.000 6.527) 6.527 3.421 ( 0.000 0.000 0.730) 0.730 3.506 ( 0.000 0.000 10.054) 10.054 3.531 ( 0.000 0.000 -0.750) 0.750 3.538 ( 0.000 0.000 -0.674) 0.674 3.555 ( 0.000 0.000 1.676) 1.676 3.560 ( 0.000 0.000 5.936) 5.936 3.585 ( 0.000 0.000 5.340) 5.340 3.643 ( 0.000 0.000 3.629) 3.629 3.647 ( 0.000 0.000 3.618) 3.618 3.673 ( 0.000 0.000 1.555) 1.555 3.743 ( 0.000 0.000 -1.903) 1.903 3.766 ( 0.000 0.000 -1.236) 1.236 3.766 ( 0.000 0.000 -2.027) 2.027 3.849 ( 0.000 0.000 0.819) 0.819 3.937 ( 0.000 0.000 -0.666) 0.666 3.976 ( 0.000 0.000 2.276) 2.276 4.018 ( 0.000 0.000 -2.368) 2.368 4.036 ( 0.000 0.000 -6.229) 6.229 4.076 ( 0.000 0.000 0.290) 0.290 4.084 ( 0.000 0.000 -5.345) 5.345 4.087 ( 0.000 0.000 -7.583) 7.583 4.128 ( 0.000 0.000 -5.163) 5.163 4.150 ( 0.000 0.000 -2.867) 2.867 4.151 ( 0.000 0.000 -1.460) 1.460 4.205 ( 0.000 0.000 -3.231) 3.231 4.215 ( 0.000 0.000 -4.168) 4.168 4.371 ( 0.000 0.000 -11.740) 11.740 4.512 ( 0.000 0.000 -3.002) 3.002 4.546 ( 0.000 0.000 -3.822) 3.822 4.573 ( 0.000 0.000 -1.592) 1.592 4.690 ( 0.000 0.000 -7.430) 7.430 4.795 ( 0.000 0.000 -0.470) 0.470 4.820 ( 0.000 0.000 1.871) 1.871 4.861 ( 0.000 0.000 3.250) 3.250 4.877 ( 0.000 0.000 1.683) 1.683 4.922 ( 0.000 0.000 0.644) 0.644 4.926 ( 0.000 0.000 1.832) 1.832 4.982 ( 0.000 0.000 -2.205) 2.205 5.001 ( 0.000 0.000 -3.210) 3.210 5.069 ( 0.000 0.000 -3.489) 3.489 5.089 ( 0.000 0.000 -2.181) 2.181 5.197 ( 0.000 0.000 -1.597) 1.597 5.340 ( 0.000 0.000 -8.207) 8.207 5.407 ( 0.000 0.000 3.958) 3.958 5.435 ( 0.000 0.000 7.979) 7.979 5.439 ( 0.000 0.000 -1.402) 1.402 5.457 ( 0.000 0.000 9.901) 9.901 5.557 ( 0.000 0.000 -0.142) 0.142 5.668 ( 0.000 0.000 -3.474) 3.474 5.792 ( 0.000 0.000 0.726) 0.726 5.800 ( 0.000 0.000 3.722) 3.722 5.814 ( 0.000 0.000 0.808) 0.808 5.951 ( 0.000 0.000 -4.694) 4.694 5.955 ( 0.000 0.000 -8.055) 8.055 5.966 ( 0.000 0.000 -4.729) 4.729 6.047 ( 0.000 0.000 -7.057) 7.057 6.185 ( 0.000 0.000 -7.267) 7.267 6.326 ( 0.000 0.000 -2.101) 2.101 6.503 ( 0.000 0.000 -6.577) 6.577 10.223 ( 0.000 0.000 4.093) 4.093 10.298 ( 0.000 0.000 3.150) 3.150 10.299 ( 0.000 0.000 4.192) 4.192 10.316 ( 0.000 0.000 0.926) 0.926 10.330 ( 0.000 0.000 5.058) 5.058 10.362 ( 0.000 0.000 1.051) 1.051 10.446 ( 0.000 0.000 0.738) 0.738 10.504 ( 0.000 0.000 -0.006) 0.006 10.632 ( 0.000 0.000 4.789) 4.789 10.680 ( 0.000 0.000 2.558) 2.558 10.789 ( 0.000 0.000 -0.815) 0.815 10.897 ( 0.000 0.000 -2.323) 2.323 10.928 ( 0.000 0.000 8.971) 8.971 11.014 ( 0.000 0.000 3.664) 3.664 11.076 ( 0.000 0.000 1.473) 1.473 11.364 ( 0.000 0.000 -4.944) 4.944 18.967 ( 0.000 0.000 0.683) 0.683 18.974 ( 0.000 0.000 0.628) 0.628 19.018 ( 0.000 0.000 -0.932) 0.932 19.021 ( 0.000 0.000 -0.890) 0.890 27.096 ( 0.000 0.000 4.880) 4.880 27.128 ( 0.000 0.000 4.875) 4.875 27.135 ( 0.000 0.000 5.159) 5.159 27.359 ( 0.000 0.000 -2.516) 2.516 27.423 ( 0.000 0.000 -1.774) 1.774 27.459 ( 0.000 0.000 -2.397) 2.397 27.461 ( 0.000 0.000 0.255) 0.255 27.496 ( 0.000 0.000 -0.469) 0.469 29.258 ( 0.000 0.000 0.297) 0.297 29.265 ( 0.000 0.000 0.586) 0.586 29.288 ( 0.000 0.000 -0.595) 0.595 29.290 ( 0.000 0.000 2.552) 2.552 29.303 ( 0.000 0.000 -0.346) 0.346 29.322 ( 0.000 0.000 0.815) 0.815 29.349 ( 0.000 0.000 0.122) 0.122 29.557 ( 0.000 0.000 -5.611) 5.611 30.695 ( 0.000 0.000 0.689) 0.689 30.718 ( 0.000 0.000 0.359) 0.359 30.774 ( 0.000 0.000 -1.616) 1.616 30.785 ( 0.000 0.000 -1.714) 1.714 30.815 ( 0.000 0.000 0.911) 0.911 30.842 ( 0.000 0.000 2.533) 2.533 30.867 ( 0.000 0.000 -0.411) 0.411 30.931 ( 0.000 0.000 0.095) 0.095 35.256 ( 0.000 0.000 12.259) 12.259 35.327 ( 0.000 0.000 10.465) 10.465 35.984 ( 0.000 0.000 -8.351) 8.351 36.001 ( 0.000 0.000 -8.236) 8.236 36.769 ( 0.000 0.000 2.352) 2.352 36.778 ( 0.000 0.000 2.421) 2.421 36.956 ( 0.000 0.000 -2.679) 2.679 36.983 ( 0.000 0.000 -3.664) 3.664 48.085 ( 0.000 0.000 0.469) 0.469 48.099 ( 0.000 0.000 0.503) 0.503 48.117 ( 0.000 0.000 -0.206) 0.206 48.135 ( 0.000 0.000 -0.790) 0.790 48.147 ( 0.000 0.000 1.212) 1.212 48.182 ( 0.000 0.000 0.407) 0.407 48.217 ( 0.000 0.000 -0.739) 0.739 48.241 ( 0.000 0.000 -1.292) 1.292 50.224 ( 0.000 0.000 28.828) 28.828 50.278 ( 0.000 0.000 32.313) 32.313 52.527 ( 0.000 0.000 -35.556) 35.556 53.411 ( 0.000 0.000 -61.143) 61.143 85.247 ( 0.000 0.000 1.458) 1.458 85.254 ( 0.000 0.000 1.441) 1.441 85.333 ( 0.000 0.000 5.078) 5.078 85.342 ( 0.000 0.000 3.679) 3.679 85.612 ( 0.000 0.000 8.278) 8.278 85.665 ( 0.000 0.000 6.316) 6.316 85.761 ( 0.000 0.000 14.910) 14.910 86.307 ( 0.000 0.000 2.012) 2.012 86.373 ( 0.000 0.000 -1.073) 1.073 86.444 ( 0.000 0.000 -2.024) 2.024 86.446 ( 0.000 0.000 -2.200) 2.200 86.528 ( 0.000 0.000 -6.351) 6.351 86.683 ( 0.000 0.000 8.768) 8.768 86.777 ( 0.000 0.000 4.709) 4.709 86.839 ( 0.000 0.000 11.778) 11.778 87.648 ( 0.000 0.000 -11.130) 11.130 ======================= Grid point 51 (20/36) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 7.556 0.000 9.824) 12.394 0.687 ( 9.396 0.000 10.316) 13.953 0.801 ( 2.326 0.000 12.586) 12.799 0.844 ( -2.889 0.000 2.284) 3.682 0.980 ( -4.658 0.000 3.003) 5.542 1.160 ( 0.168 0.000 10.564) 10.565 1.182 ( 5.023 0.000 -1.254) 5.177 1.188 ( -6.803 0.000 6.320) 9.286 1.236 ( 1.797 0.000 -0.869) 1.997 1.342 ( -4.427 0.000 -4.467) 6.290 1.388 ( 1.337 0.000 0.520) 1.435 1.398 ( 3.126 0.000 6.456) 7.173 1.430 ( 5.619 0.000 2.218) 6.041 1.465 ( 4.963 0.000 3.245) 5.930 1.486 ( 1.604 0.000 10.801) 10.920 1.498 ( 0.333 0.000 7.456) 7.464 1.507 ( 0.653 0.000 2.849) 2.923 1.572 ( -1.582 0.000 10.944) 11.058 1.651 ( 0.098 0.000 3.195) 3.196 1.704 ( -4.135 0.000 4.219) 5.907 1.736 ( 0.167 0.000 3.306) 3.310 1.784 ( 5.547 0.000 -3.457) 6.536 1.828 ( -2.390 0.000 -4.554) 5.143 1.838 ( -2.208 0.000 -4.038) 4.602 1.886 ( -4.862 0.000 0.848) 4.935 1.905 ( -3.056 0.000 -1.872) 3.584 1.927 ( 3.172 0.000 -0.885) 3.294 1.929 ( 3.225 0.000 -1.666) 3.630 1.945 ( -3.665 0.000 2.057) 4.203 1.966 ( -1.711 0.000 2.278) 2.849 1.974 ( -2.075 0.000 -0.158) 2.081 2.050 ( -0.570 0.000 -5.831) 5.859 2.057 ( 0.474 0.000 -3.791) 3.821 2.117 ( -0.166 0.000 1.557) 1.566 2.120 ( -0.671 0.000 2.879) 2.956 2.135 ( -2.273 0.000 1.865) 2.941 2.175 ( -1.117 0.000 -1.379) 1.775 2.204 ( 0.804 0.000 2.064) 2.215 2.269 ( -3.078 0.000 0.990) 3.234 2.278 ( 1.369 0.000 -1.760) 2.230 2.341 ( -1.372 0.000 -0.979) 1.685 2.358 ( -1.502 0.000 1.129) 1.879 2.374 ( -3.722 0.000 0.498) 3.755 2.385 ( -0.360 0.000 -1.351) 1.398 2.412 ( -0.618 0.000 -3.261) 3.319 2.438 ( -3.670 0.000 1.127) 3.839 2.537 ( 0.965 0.000 0.742) 1.217 2.547 ( -0.513 0.000 0.742) 0.902 2.565 ( -0.351 0.000 0.687) 0.772 2.634 ( -0.511 0.000 2.567) 2.618 2.700 ( 1.959 0.000 -1.524) 2.482 2.718 ( 2.717 0.000 -0.396) 2.746 2.749 ( 0.912 0.000 4.321) 4.417 2.759 ( 4.558 0.000 -3.035) 5.476 2.824 ( 3.462 0.000 1.223) 3.671 2.851 ( 2.355 0.000 0.351) 2.381 2.861 ( 0.386 0.000 -3.395) 3.417 2.864 ( 0.972 0.000 1.928) 2.159 2.883 ( -3.202 0.000 -2.627) 4.142 2.933 ( -0.181 0.000 1.890) 1.899 2.950 ( -0.251 0.000 2.609) 2.621 2.964 ( -0.663 0.000 0.119) 0.673 2.971 ( -4.642 0.000 0.269) 4.650 3.052 ( -3.086 0.000 -1.822) 3.584 3.105 ( 2.442 0.000 0.781) 2.564 3.109 ( 4.266 0.000 -0.583) 4.305 3.154 ( 2.746 0.000 0.246) 2.757 3.176 ( 1.091 0.000 3.557) 3.720 3.207 ( 1.019 0.000 0.822) 1.309 3.229 ( -1.782 0.000 3.926) 4.311 3.270 ( 3.255 0.000 5.030) 5.991 3.288 ( -2.220 0.000 3.287) 3.966 3.291 ( -0.771 0.000 1.980) 2.125 3.318 ( 1.743 0.000 4.597) 4.917 3.334 ( 1.555 0.000 -0.790) 1.744 3.386 ( 1.867 0.000 1.659) 2.498 3.402 ( -0.431 0.000 5.842) 5.858 3.448 ( 2.179 0.000 1.005) 2.400 3.475 ( -4.582 0.000 -0.335) 4.594 3.512 ( 0.158 0.000 8.824) 8.825 3.546 ( -0.926 0.000 3.154) 3.287 3.564 ( 2.714 0.000 1.649) 3.175 3.565 ( 0.232 0.000 3.507) 3.514 3.589 ( 0.993 0.000 4.869) 4.970 3.648 ( 0.054 0.000 3.566) 3.566 3.657 ( 0.294 0.000 2.142) 2.163 3.701 ( 1.610 0.000 0.191) 1.621 3.722 ( -1.705 0.000 0.816) 1.891 3.733 ( -0.711 0.000 -2.478) 2.578 3.779 ( 1.227 0.000 -1.611) 2.025 3.842 ( -0.829 0.000 0.081) 0.833 3.900 ( -6.570 0.000 -2.183) 6.923 3.965 ( -0.786 0.000 1.389) 1.596 3.991 ( -2.084 0.000 -1.731) 2.709 3.993 ( 1.671 0.000 -0.927) 1.910 4.071 ( -0.898 0.000 -5.987) 6.054 4.085 ( 1.016 0.000 -5.376) 5.471 4.090 ( 0.372 0.000 -6.836) 6.847 4.120 ( -0.748 0.000 -4.368) 4.431 4.168 ( 1.234 0.000 -2.460) 2.752 4.192 ( -2.011 0.000 -3.925) 4.410 4.202 ( -0.271 0.000 -3.060) 3.072 4.275 ( 6.684 0.000 -4.080) 7.831 4.387 ( 0.617 0.000 -11.014) 11.031 4.539 ( 3.240 0.000 -4.508) 5.551 4.550 ( 0.434 0.000 -3.530) 3.557 4.573 ( -0.166 0.000 -1.931) 1.938 4.681 ( -1.002 0.000 -7.836) 7.900 4.774 ( -0.190 0.000 0.680) 0.706 4.834 ( -0.790 0.000 2.078) 2.223 4.871 ( 0.911 0.000 3.328) 3.450 4.889 ( 1.343 0.000 0.509) 1.436 4.919 ( 0.052 0.000 1.057) 1.058 4.924 ( -0.193 0.000 1.392) 1.406 4.955 ( -1.824 0.000 -1.337) 2.262 5.022 ( 1.413 0.000 -2.872) 3.201 5.066 ( -0.442 0.000 -3.382) 3.411 5.104 ( 1.477 0.000 -1.932) 2.431 5.135 ( -10.329 0.000 0.817) 10.361 5.185 ( -1.324 0.000 -2.003) 2.401 5.394 ( -0.786 0.000 6.960) 7.005 5.434 ( -1.325 0.000 9.535) 9.626 5.522 ( 4.067 0.000 -0.155) 4.070 5.530 ( 3.544 0.000 -0.847) 3.644 5.581 ( 1.354 0.000 -1.126) 1.761 5.654 ( -1.558 0.000 -3.087) 3.458 5.819 ( 1.404 0.000 2.809) 3.140 5.824 ( 2.890 0.000 -0.044) 2.891 5.837 ( 1.774 0.000 -0.950) 2.012 5.932 ( 0.184 0.000 -7.625) 7.627 5.952 ( -1.633 0.000 -3.849) 4.181 5.983 ( 0.163 0.000 -7.931) 7.933 6.096 ( 5.680 0.000 -5.788) 8.109 6.196 ( 1.291 0.000 -6.551) 6.677 6.300 ( -2.337 0.000 -2.810) 3.655 6.431 ( -6.500 0.000 -6.151) 8.949 10.248 ( 2.172 0.000 3.896) 4.460 10.296 ( -0.200 0.000 3.952) 3.957 10.303 ( 0.298 0.000 3.194) 3.208 10.306 ( -0.607 0.000 3.280) 3.335 10.343 ( 0.830 0.000 2.640) 2.768 10.362 ( -0.068 0.000 1.169) 1.171 10.439 ( -0.514 0.000 0.917) 1.051 10.478 ( -2.164 0.000 0.435) 2.208 10.636 ( 0.393 0.000 4.692) 4.708 10.670 ( -0.847 0.000 3.202) 3.312 10.801 ( 1.201 0.000 -0.239) 1.224 10.882 ( -1.429 0.000 -0.339) 1.469 10.957 ( 2.699 0.000 6.460) 7.001 11.024 ( 0.868 0.000 3.104) 3.223 11.068 ( -0.794 0.000 1.632) 1.815 11.230 ( -10.119 0.000 1.275) 10.199 18.968 ( 0.108 0.000 0.672) 0.681 18.973 ( -0.105 0.000 0.633) 0.642 19.018 ( -0.049 0.000 -0.886) 0.887 19.019 ( -0.110 0.000 -0.848) 0.855 27.102 ( 0.575 0.000 4.954) 4.987 27.130 ( -0.464 0.000 5.170) 5.190 27.154 ( 2.411 0.000 4.860) 5.426 27.325 ( -4.002 0.000 0.975) 4.119 27.427 ( -0.969 0.000 -0.539) 1.109 27.433 ( 0.873 0.000 -1.661) 1.877 27.452 ( -0.797 0.000 -2.217) 2.356 27.484 ( -1.067 0.000 -0.728) 1.292 29.256 ( 0.150 0.000 0.769) 0.784 29.272 ( 0.095 0.000 0.819) 0.824 29.291 ( 0.325 0.000 1.842) 1.871 29.302 ( 0.283 0.000 -0.470) 0.549 29.306 ( 0.249 0.000 -0.468) 0.530 29.318 ( -0.427 0.000 0.803) 0.910 29.388 ( 3.813 0.000 -2.048) 4.328 29.535 ( -2.109 0.000 -5.273) 5.679 30.711 ( 1.461 0.000 0.731) 1.633 30.727 ( 0.850 0.000 0.269) 0.892 30.771 ( -0.565 0.000 -0.740) 0.931 30.783 ( -0.674 0.000 -0.898) 1.123 30.827 ( 1.404 0.000 0.230) 1.422 30.833 ( -0.204 0.000 1.441) 1.456 30.862 ( -0.556 0.000 -0.253) 0.611 30.913 ( -1.643 0.000 -0.008) 1.643 35.259 ( 0.367 0.000 12.309) 12.315 35.304 ( -1.711 0.000 11.566) 11.692 35.986 ( 0.213 0.000 -8.348) 8.351 35.998 ( -0.251 0.000 -8.268) 8.272 36.771 ( 0.149 0.000 2.381) 2.386 36.777 ( -0.101 0.000 2.431) 2.433 36.975 ( 1.273 0.000 -3.762) 3.972 36.988 ( 0.374 0.000 -3.897) 3.914 48.088 ( 0.294 0.000 0.433) 0.523 48.098 ( -0.084 0.000 0.484) 0.491 48.120 ( 0.265 0.000 -0.260) 0.371 48.133 ( -0.194 0.000 -0.668) 0.696 48.151 ( 0.402 0.000 1.058) 1.132 48.176 ( -0.558 0.000 0.558) 0.789 48.220 ( 0.272 0.000 -0.846) 0.889 48.237 ( -0.370 0.000 -1.233) 1.287 50.235 ( 0.986 0.000 29.043) 29.060 50.274 ( -0.491 0.000 31.552) 31.556 52.637 ( 10.382 0.000 -38.487) 39.863 53.261 ( -13.394 0.000 -56.454) 58.021 85.260 ( 1.186 0.000 1.654) 2.035 85.266 ( 1.084 0.000 1.668) 1.989 85.320 ( -1.157 0.000 4.094) 4.254 85.328 ( -1.297 0.000 3.203) 3.456 85.686 ( 1.818 0.000 7.658) 7.871 85.692 ( 7.744 0.000 9.392) 12.173 85.754 ( -0.739 0.000 13.783) 13.802 86.266 ( -14.315 0.000 2.970) 14.620 86.315 ( 0.822 0.000 2.218) 2.365 86.408 ( -3.016 0.000 -0.001) 3.016 86.412 ( 0.063 0.000 -0.772) 0.774 86.464 ( -1.652 0.000 -3.902) 4.237 86.712 ( 2.396 0.000 7.443) 7.819 86.818 ( -1.905 0.000 10.237) 10.413 86.885 ( 7.868 0.000 2.165) 8.160 87.406 ( -17.678 0.000 -1.860) 17.775 ======================= Grid point 52 (21/36) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -4.893 0.000 6.225) 7.918 0.758 ( 4.893 0.000 6.225) 7.918 0.864 ( -6.912 0.000 8.060) 10.618 0.864 ( 6.912 0.000 8.060) 10.618 0.956 ( -11.031 0.000 7.241) 13.195 0.956 ( 11.031 0.000 7.241) 13.195 1.241 ( -4.493 0.000 3.280) 5.563 1.241 ( 4.493 0.000 3.280) 5.563 1.258 ( -1.421 0.000 -2.758) 3.103 1.258 ( 1.421 0.000 -2.758) 3.103 1.417 ( -1.841 0.000 3.937) 4.346 1.417 ( 1.841 0.000 3.937) 4.346 1.469 ( -2.653 0.000 4.623) 5.330 1.469 ( 2.653 0.000 4.623) 5.330 1.527 ( -4.409 0.000 -1.291) 4.594 1.527 ( 4.409 0.000 -1.291) 4.594 1.618 ( -5.137 0.000 6.177) 8.034 1.618 ( 5.137 0.000 6.177) 8.034 1.662 ( -9.520 0.000 4.997) 10.752 1.662 ( 9.520 0.000 4.997) 10.752 1.753 ( -7.166 0.000 8.189) 10.882 1.753 ( 7.166 0.000 8.189) 10.882 1.791 ( -2.236 0.000 2.758) 3.551 1.791 ( 2.236 0.000 2.758) 3.551 1.810 ( -0.660 0.000 -2.128) 2.228 1.810 ( 0.660 0.000 -2.128) 2.228 1.905 ( -3.256 0.000 -1.882) 3.761 1.905 ( 3.256 0.000 -1.882) 3.761 1.983 ( -1.303 0.000 1.284) 1.830 1.983 ( 1.303 0.000 1.284) 1.830 2.014 ( -3.004 0.000 -3.988) 4.993 2.014 ( 3.004 0.000 -3.988) 4.993 2.053 ( -2.333 0.000 -1.700) 2.886 2.053 ( 2.333 0.000 -1.700) 2.886 2.154 ( -3.461 0.000 -0.746) 3.541 2.154 ( 3.461 0.000 -0.746) 3.541 2.177 ( -4.635 0.000 -0.073) 4.636 2.177 ( 4.635 0.000 -0.073) 4.636 2.280 ( -4.224 0.000 1.402) 4.451 2.280 ( 4.224 0.000 1.402) 4.451 2.299 ( -2.456 0.000 -0.772) 2.574 2.299 ( 2.456 0.000 -0.772) 2.574 2.364 ( -1.526 0.000 -0.050) 1.527 2.364 ( 1.526 0.000 -0.050) 1.527 2.410 ( -0.279 0.000 -2.690) 2.704 2.410 ( 0.279 0.000 -2.690) 2.704 2.547 ( -0.617 0.000 0.795) 1.007 2.547 ( 0.617 0.000 0.795) 1.007 2.591 ( -3.183 0.000 2.100) 3.814 2.591 ( 3.183 0.000 2.100) 3.814 2.730 ( -1.504 0.000 1.454) 2.092 2.730 ( 1.504 0.000 1.454) 2.092 2.788 ( -2.963 0.000 -1.293) 3.233 2.788 ( 2.963 0.000 -1.293) 3.233 2.858 ( -1.508 0.000 -2.408) 2.842 2.858 ( 1.508 0.000 -2.408) 2.842 2.868 ( -0.601 0.000 0.173) 0.625 2.868 ( 0.601 0.000 0.173) 0.625 2.922 ( -2.907 0.000 2.183) 3.636 2.922 ( 2.907 0.000 2.183) 3.636 2.928 ( -1.341 0.000 1.024) 1.687 2.928 ( 1.341 0.000 1.024) 1.687 2.979 ( -2.747 0.000 -0.106) 2.749 2.979 ( 2.747 0.000 -0.106) 2.749 3.153 ( -2.470 0.000 2.060) 3.217 3.153 ( 2.470 0.000 2.060) 3.217 3.178 ( -1.375 0.000 -0.997) 1.698 3.178 ( 1.375 0.000 -0.997) 1.698 3.234 ( -2.291 0.000 3.972) 4.586 3.234 ( 2.291 0.000 3.972) 4.586 3.250 ( -2.961 0.000 1.511) 3.325 3.250 ( 2.961 0.000 1.511) 3.325 3.332 ( -1.726 0.000 4.602) 4.915 3.332 ( 1.726 0.000 4.602) 4.915 3.385 ( -2.202 0.000 1.229) 2.522 3.385 ( 2.202 0.000 1.229) 2.522 3.401 ( -1.188 0.000 3.078) 3.300 3.401 ( 1.188 0.000 3.078) 3.300 3.491 ( -1.847 0.000 3.514) 3.970 3.491 ( 1.847 0.000 3.514) 3.970 3.552 ( -1.266 0.000 4.307) 4.489 3.552 ( 1.266 0.000 4.307) 4.489 3.624 ( -2.461 0.000 2.896) 3.800 3.624 ( 2.461 0.000 2.896) 3.800 3.628 ( -2.271 0.000 2.323) 3.249 3.628 ( 2.271 0.000 2.323) 3.249 3.722 ( -0.552 0.000 -2.085) 2.157 3.722 ( 0.552 0.000 -2.085) 2.157 3.768 ( -5.266 0.000 0.748) 5.319 3.768 ( 5.266 0.000 0.748) 5.319 3.813 ( -1.800 0.000 -1.096) 2.107 3.813 ( 1.800 0.000 -1.096) 2.107 3.959 ( -0.594 0.000 -0.184) 0.622 3.959 ( 0.594 0.000 -0.184) 0.622 4.032 ( -1.984 0.000 -5.121) 5.492 4.032 ( 1.984 0.000 -5.121) 5.492 4.102 ( -0.779 0.000 -5.330) 5.387 4.102 ( 0.779 0.000 -5.330) 5.387 4.137 ( -3.027 0.000 -4.245) 5.214 4.137 ( 3.027 0.000 -4.245) 5.214 4.191 ( -0.842 0.000 -2.752) 2.878 4.191 ( 0.842 0.000 -2.752) 2.878 4.368 ( -2.530 0.000 -7.496) 7.911 4.368 ( 2.530 0.000 -7.496) 7.911 4.563 ( -0.690 0.000 -2.762) 2.847 4.563 ( 0.690 0.000 -2.762) 2.847 4.632 ( -4.116 0.000 -7.876) 8.887 4.632 ( 4.116 0.000 -7.876) 8.887 4.797 ( -2.041 0.000 1.652) 2.626 4.797 ( 2.041 0.000 1.652) 2.626 4.901 ( -1.935 0.000 2.454) 3.125 4.901 ( 1.935 0.000 2.454) 3.125 4.914 ( -0.871 0.000 0.552) 1.031 4.914 ( 0.871 0.000 0.552) 1.031 4.972 ( -4.530 0.000 1.445) 4.755 4.972 ( 4.530 0.000 1.445) 4.755 5.051 ( -1.147 0.000 -2.889) 3.109 5.051 ( 1.147 0.000 -2.889) 3.109 5.145 ( -2.246 0.000 -1.868) 2.921 5.145 ( 2.246 0.000 -1.868) 2.921 5.404 ( -1.343 0.000 8.783) 8.885 5.404 ( 1.343 0.000 8.783) 8.885 5.578 ( -1.448 0.000 -0.629) 1.578 5.578 ( 1.448 0.000 -0.629) 1.578 5.601 ( -3.391 0.000 -2.173) 4.028 5.601 ( 3.391 0.000 -2.173) 4.028 5.845 ( -0.868 0.000 0.662) 1.092 5.845 ( 0.868 0.000 0.662) 1.092 5.896 ( -3.540 0.000 -1.959) 4.046 5.896 ( 3.540 0.000 -1.959) 4.046 5.961 ( -1.885 0.000 -9.119) 9.312 5.961 ( 1.885 0.000 -9.119) 9.312 6.241 ( -2.883 0.000 -4.636) 5.460 6.241 ( 2.883 0.000 -4.636) 5.460 6.262 ( -9.037 0.000 -5.849) 10.764 6.262 ( 9.037 0.000 -5.849) 10.764 10.294 ( -1.591 0.000 3.439) 3.789 10.294 ( 1.591 0.000 3.439) 3.789 10.296 ( -0.279 0.000 3.833) 3.843 10.296 ( 0.279 0.000 3.833) 3.843 10.357 ( -0.462 0.000 1.597) 1.662 10.357 ( 0.462 0.000 1.597) 1.662 10.439 ( -0.959 0.000 1.073) 1.439 10.439 ( 0.959 0.000 1.073) 1.439 10.650 ( -0.934 0.000 4.205) 4.308 10.650 ( 0.934 0.000 4.205) 4.308 10.840 ( -2.350 0.000 0.085) 2.351 10.840 ( 2.350 0.000 0.085) 2.351 11.046 ( -1.193 0.000 2.180) 2.485 11.046 ( 1.193 0.000 2.180) 2.485 11.048 ( -6.499 0.000 5.577) 8.564 11.048 ( 6.499 0.000 5.577) 8.564 18.971 ( -0.150 0.000 0.649) 0.666 18.971 ( 0.150 0.000 0.649) 0.666 19.017 ( -0.046 0.000 -0.823) 0.825 19.017 ( 0.046 0.000 -0.823) 0.825 27.117 ( -0.751 0.000 5.102) 5.157 27.117 ( 0.751 0.000 5.102) 5.157 27.226 ( -4.499 0.000 4.457) 6.333 27.226 ( 4.499 0.000 4.457) 6.333 27.433 ( -0.925 0.000 -2.034) 2.234 27.433 ( 0.925 0.000 -2.034) 2.234 27.457 ( -1.389 0.000 -1.266) 1.880 27.457 ( 1.389 0.000 -1.266) 1.880 29.264 ( -0.539 0.000 1.225) 1.338 29.264 ( 0.539 0.000 1.225) 1.338 29.305 ( -0.767 0.000 0.884) 1.170 29.305 ( 0.767 0.000 0.884) 1.170 29.305 ( -0.167 0.000 -0.262) 0.311 29.305 ( 0.167 0.000 -0.262) 0.311 29.473 ( -3.771 0.000 -4.405) 5.799 29.473 ( 3.771 0.000 -4.405) 5.799 30.750 ( -1.268 0.000 0.074) 1.270 30.750 ( -1.680 0.000 0.505) 1.754 30.750 ( 0.911 0.000 0.100) 0.916 30.750 ( 2.037 0.000 0.582) 2.118 30.845 ( -0.963 0.000 -0.115) 0.970 30.845 ( 0.963 0.000 -0.115) 0.970 30.869 ( -2.361 0.000 -0.159) 2.367 30.869 ( 2.361 0.000 -0.159) 2.367 35.274 ( -1.078 0.000 12.304) 12.351 35.274 ( 1.078 0.000 12.304) 12.351 35.992 ( -0.327 0.000 -8.323) 8.329 35.992 ( 0.327 0.000 -8.323) 8.329 36.774 ( -0.178 0.000 2.426) 2.433 36.774 ( 0.178 0.000 2.426) 2.433 36.992 ( -0.236 0.000 -4.260) 4.266 36.992 ( 0.236 0.000 -4.260) 4.266 48.094 ( -0.244 0.000 0.452) 0.514 48.094 ( 0.244 0.000 0.452) 0.514 48.127 ( -0.338 0.000 -0.430) 0.547 48.127 ( 0.338 0.000 -0.430) 0.547 48.163 ( -0.644 0.000 0.798) 1.026 48.163 ( 0.644 0.000 0.798) 1.026 48.228 ( -0.467 0.000 -1.064) 1.162 48.228 ( 0.467 0.000 -1.064) 1.162 50.257 ( -1.017 0.000 30.095) 30.112 50.257 ( 1.017 0.000 30.095) 30.112 52.929 ( -16.654 0.000 -46.600) 49.487 52.929 ( 16.654 0.000 -46.600) 49.487 85.291 ( -1.585 0.000 2.543) 2.996 85.291 ( 1.585 0.000 2.543) 2.996 85.295 ( -1.640 0.000 2.324) 2.844 85.295 ( 1.640 0.000 2.324) 2.844 85.727 ( -1.811 0.000 10.807) 10.958 85.727 ( 1.811 0.000 10.807) 10.958 85.931 ( -15.093 0.000 9.565) 17.869 85.931 ( 15.093 0.000 9.565) 17.869 86.348 ( -2.422 0.000 2.005) 3.144 86.348 ( 2.422 0.000 2.005) 3.144 86.434 ( -1.428 0.000 -2.389) 2.783 86.434 ( 1.428 0.000 -2.389) 2.783 86.768 ( -2.776 0.000 7.720) 8.204 86.768 ( 2.776 0.000 7.720) 8.204 87.087 ( -12.200 0.000 2.020) 12.366 87.087 ( 12.200 0.000 2.020) 12.366 ======================= Grid point 55 (22/36) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 5.819 11.255) 12.670 0.675 ( 0.000 12.367 6.419) 13.934 0.798 ( 0.000 -0.654 13.322) 13.338 0.934 ( 0.000 4.712 4.745) 6.687 1.076 ( 0.000 -3.490 4.561) 5.743 1.078 ( 0.000 2.749 -2.149) 3.489 1.103 ( 0.000 -2.089 14.177) 14.330 1.175 ( 0.000 -4.066 -0.299) 4.076 1.240 ( 0.000 -1.773 4.212) 4.570 1.305 ( 0.000 -3.914 3.630) 5.338 1.314 ( 0.000 -3.412 5.305) 6.308 1.362 ( 0.000 -2.911 4.436) 5.306 1.368 ( 0.000 1.582 8.014) 8.169 1.477 ( 0.000 2.889 -0.404) 2.917 1.525 ( 0.000 6.167 9.144) 11.029 1.526 ( 0.000 1.823 0.118) 1.827 1.583 ( 0.000 -0.231 -0.972) 1.000 1.599 ( 0.000 3.718 -3.057) 4.813 1.663 ( 0.000 -5.331 3.608) 6.437 1.714 ( 0.000 3.223 8.951) 9.514 1.731 ( 0.000 2.946 -0.931) 3.090 1.782 ( 0.000 3.397 2.542) 4.243 1.815 ( 0.000 -2.626 -3.102) 4.064 1.827 ( 0.000 -2.049 4.816) 5.234 1.886 ( 0.000 0.419 -2.867) 2.898 1.887 ( 0.000 -1.131 -0.222) 1.152 1.899 ( 0.000 0.142 1.001) 1.011 1.971 ( 0.000 2.014 -4.224) 4.679 1.980 ( 0.000 -0.568 -5.145) 5.177 1.997 ( 0.000 -0.328 -3.545) 3.560 2.040 ( 0.000 2.618 3.929) 4.721 2.062 ( 0.000 0.292 -5.112) 5.120 2.075 ( 0.000 3.090 -0.577) 3.144 2.132 ( 0.000 -2.416 -2.879) 3.758 2.134 ( 0.000 0.762 4.630) 4.693 2.161 ( 0.000 1.669 2.337) 2.872 2.163 ( 0.000 -1.715 2.310) 2.878 2.212 ( 0.000 -0.510 2.785) 2.831 2.249 ( 0.000 0.422 -5.527) 5.543 2.327 ( 0.000 -1.096 -2.287) 2.536 2.350 ( 0.000 -0.196 -0.893) 0.914 2.357 ( 0.000 -0.041 0.261) 0.264 2.377 ( 0.000 -2.127 3.274) 3.904 2.397 ( 0.000 -2.552 1.385) 2.903 2.442 ( 0.000 -8.867 3.427) 9.506 2.452 ( 0.000 1.924 -2.045) 2.808 2.518 ( 0.000 -4.497 5.386) 7.017 2.535 ( 0.000 -0.807 0.762) 1.110 2.550 ( 0.000 -0.500 -0.210) 0.542 2.586 ( 0.000 -0.648 -4.122) 4.172 2.615 ( 0.000 -0.499 2.388) 2.440 2.621 ( 0.000 -0.512 -1.411) 1.501 2.717 ( 0.000 -0.604 1.058) 1.218 2.723 ( 0.000 -3.340 -0.509) 3.379 2.785 ( 0.000 0.890 1.187) 1.484 2.825 ( 0.000 0.662 3.156) 3.225 2.862 ( 0.000 -0.388 -4.284) 4.302 2.870 ( 0.000 -0.081 3.964) 3.965 2.929 ( 0.000 3.075 0.591) 3.132 2.955 ( 0.000 1.127 -0.382) 1.190 3.003 ( 0.000 2.620 0.295) 2.636 3.013 ( 0.000 -0.575 -2.362) 2.431 3.044 ( 0.000 3.795 2.023) 4.300 3.059 ( 0.000 -0.380 -1.563) 1.608 3.070 ( 0.000 -1.843 -4.146) 4.537 3.089 ( 0.000 2.821 0.520) 2.868 3.140 ( 0.000 1.947 -0.820) 2.112 3.154 ( 0.000 -2.076 5.008) 5.421 3.182 ( 0.000 2.495 2.249) 3.359 3.225 ( 0.000 0.300 3.394) 3.408 3.251 ( 0.000 -1.454 1.165) 1.863 3.280 ( 0.000 -1.291 1.912) 2.307 3.294 ( 0.000 -1.635 3.296) 3.679 3.303 ( 0.000 0.154 2.538) 2.543 3.344 ( 0.000 -2.053 2.209) 3.016 3.363 ( 0.000 3.256 2.720) 4.243 3.369 ( 0.000 -3.564 1.234) 3.772 3.416 ( 0.000 0.535 6.085) 6.109 3.528 ( 0.000 0.397 0.913) 0.995 3.531 ( 0.000 2.120 8.366) 8.630 3.559 ( 0.000 0.109 6.612) 6.613 3.560 ( 0.000 0.448 1.096) 1.184 3.587 ( 0.000 0.506 4.646) 4.674 3.595 ( 0.000 3.262 -0.950) 3.398 3.632 ( 0.000 -1.157 3.784) 3.957 3.644 ( 0.000 -0.144 2.261) 2.266 3.687 ( 0.000 1.342 1.173) 1.782 3.740 ( 0.000 -0.285 -1.268) 1.299 3.755 ( 0.000 -1.002 -1.916) 2.162 3.782 ( 0.000 -2.998 1.695) 3.444 3.830 ( 0.000 4.244 0.225) 4.250 3.946 ( 0.000 0.467 -0.378) 0.601 3.984 ( 0.000 0.219 1.913) 1.926 4.023 ( 0.000 0.436 -3.195) 3.224 4.035 ( 0.000 -0.086 -5.625) 5.626 4.059 ( 0.000 -2.260 0.596) 2.337 4.077 ( 0.000 -0.430 -6.963) 6.976 4.084 ( 0.000 -0.367 -6.516) 6.526 4.136 ( 0.000 0.760 -4.335) 4.401 4.154 ( 0.000 0.222 -3.027) 3.035 4.192 ( 0.000 3.631 -2.702) 4.526 4.206 ( 0.000 0.340 -3.108) 3.126 4.219 ( 0.000 0.224 -4.067) 4.074 4.348 ( 0.000 -2.885 -9.772) 10.189 4.516 ( 0.000 0.425 -3.126) 3.154 4.541 ( 0.000 -0.523 -3.587) 3.625 4.596 ( 0.000 3.145 -3.983) 5.075 4.702 ( 0.000 0.531 -7.755) 7.773 4.812 ( 0.000 1.941 0.044) 1.942 4.817 ( 0.000 -0.136 1.798) 1.803 4.845 ( 0.000 -1.441 2.841) 3.186 4.890 ( 0.000 1.272 1.391) 1.885 4.925 ( 0.000 0.101 1.179) 1.184 4.938 ( 0.000 1.025 1.110) 1.511 4.979 ( 0.000 -0.480 -1.359) 1.442 5.020 ( 0.000 1.616 -3.340) 3.710 5.027 ( 0.000 -6.031 0.349) 6.041 5.076 ( 0.000 -4.067 -3.088) 5.106 5.149 ( 0.000 -2.744 -1.107) 2.959 5.191 ( 0.000 -1.606 -4.106) 4.409 5.420 ( 0.000 1.355 3.776) 4.012 5.439 ( 0.000 0.308 7.453) 7.459 5.453 ( 0.000 -0.158 9.042) 9.043 5.532 ( 0.000 -2.582 0.973) 2.760 5.581 ( 0.000 4.810 -4.347) 6.483 5.668 ( 0.000 -0.600 -4.150) 4.193 5.783 ( 0.000 -0.429 -0.855) 0.956 5.825 ( 0.000 -0.718 0.884) 1.139 5.839 ( 0.000 2.499 0.431) 2.536 5.936 ( 0.000 -1.610 -3.575) 3.921 5.938 ( 0.000 3.769 -7.755) 8.622 6.016 ( 0.000 0.917 -3.610) 3.725 6.107 ( 0.000 7.263 -8.342) 11.061 6.205 ( 0.000 2.074 -6.896) 7.201 6.304 ( 0.000 -2.205 -3.112) 3.814 6.442 ( 0.000 -6.350 -7.145) 9.559 10.232 ( 0.000 0.878 3.969) 4.065 10.278 ( 0.000 -1.284 3.550) 3.775 10.313 ( 0.000 0.593 4.029) 4.073 10.324 ( 0.000 0.791 0.799) 1.124 10.327 ( 0.000 -0.222 4.895) 4.900 10.357 ( 0.000 -0.565 0.850) 1.021 10.450 ( 0.000 0.480 0.894) 1.015 10.487 ( 0.000 -1.367 0.656) 1.517 10.658 ( 0.000 2.143 3.938) 4.483 10.687 ( 0.000 0.620 2.564) 2.638 10.802 ( 0.000 1.356 -0.748) 1.548 10.876 ( 0.000 -1.921 -1.485) 2.428 10.945 ( 0.000 2.277 8.994) 9.278 11.027 ( 0.000 1.173 2.729) 2.971 11.069 ( 0.000 -0.746 1.508) 1.682 11.236 ( 0.000 -11.330 1.237) 11.398 18.967 ( 0.000 0.101 0.660) 0.668 18.973 ( 0.000 -0.137 0.622) 0.637 19.016 ( 0.000 -0.231 -0.805) 0.837 19.017 ( 0.000 -0.270 -0.900) 0.940 27.101 ( 0.000 0.497 4.878) 4.903 27.124 ( 0.000 -0.479 4.874) 4.898 27.159 ( 0.000 2.603 4.932) 5.577 27.320 ( 0.000 -4.307 0.481) 4.333 27.421 ( 0.000 -0.094 -1.527) 1.530 27.440 ( 0.000 -1.217 -0.395) 1.280 27.464 ( 0.000 0.526 -2.139) 2.203 27.490 ( 0.000 -0.591 -0.778) 0.976 29.265 ( 0.000 0.056 0.653) 0.656 29.267 ( 0.000 0.761 0.192) 0.785 29.276 ( 0.000 -0.564 0.991) 1.140 29.294 ( 0.000 -0.626 -0.103) 0.634 29.308 ( 0.000 1.095 0.800) 1.356 29.343 ( 0.000 -0.597 0.225) 0.639 29.357 ( 0.000 3.311 -0.403) 3.336 29.515 ( 0.000 -3.948 -4.121) 5.707 30.699 ( 0.000 0.374 0.665) 0.763 30.715 ( 0.000 -0.287 0.419) 0.508 30.776 ( 0.000 0.205 -1.612) 1.625 30.784 ( 0.000 -0.106 -1.684) 1.687 30.818 ( 0.000 0.333 1.081) 1.131 30.837 ( 0.000 -0.500 2.250) 2.305 30.875 ( 0.000 0.885 -0.364) 0.957 30.921 ( 0.000 -1.009 -0.004) 1.009 35.260 ( 0.000 0.487 12.307) 12.317 35.306 ( 0.000 -1.811 11.513) 11.655 35.986 ( 0.000 0.248 -8.343) 8.347 35.998 ( 0.000 -0.270 -8.262) 8.267 36.771 ( 0.000 0.153 2.352) 2.357 36.777 ( 0.000 -0.129 2.404) 2.408 36.960 ( 0.000 0.370 -2.805) 2.829 36.979 ( 0.000 -0.444 -3.499) 3.527 48.088 ( 0.000 0.283 0.424) 0.510 48.098 ( 0.000 -0.120 0.438) 0.455 48.121 ( 0.000 0.302 -0.255) 0.395 48.133 ( 0.000 -0.223 -0.414) 0.471 48.155 ( 0.000 0.708 0.649) 0.960 48.178 ( 0.000 -0.406 0.447) 0.604 48.220 ( 0.000 0.267 -0.748) 0.794 48.237 ( 0.000 -0.449 -1.149) 1.234 50.234 ( 0.000 1.057 29.528) 29.547 50.273 ( 0.000 -0.585 31.985) 31.990 52.868 ( 0.000 28.478 -54.494) 61.487 53.416 ( 0.000 -0.884 -64.342) 64.348 85.263 ( 0.000 1.640 1.577) 2.275 85.274 ( 0.000 1.884 1.521) 2.421 85.331 ( 0.000 -0.465 4.021) 4.048 85.331 ( 0.000 -1.179 2.999) 3.223 85.632 ( 0.000 2.147 9.526) 9.765 85.722 ( 0.000 6.451 7.029) 9.540 85.738 ( 0.000 -2.288 14.073) 14.258 86.181 ( 0.000 -13.711 3.645) 14.187 86.375 ( 0.000 0.570 -0.207) 0.607 86.426 ( 0.000 -3.167 -1.182) 3.380 86.441 ( 0.000 -0.155 -2.057) 2.063 86.445 ( 0.000 -0.196 -2.150) 2.159 86.786 ( 0.000 0.914 5.708) 5.780 86.830 ( 0.000 -0.956 10.669) 10.712 86.873 ( 0.000 13.419 3.669) 13.912 87.462 ( 0.000 -16.732 -3.541) 17.102 ======================= Grid point 56 (23/36) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 6.721 3.724 7.424) 10.685 0.747 ( 3.156 5.361 8.682) 10.681 0.834 ( 5.690 3.891 9.354) 11.620 0.923 ( -1.970 6.842 4.479) 8.412 1.015 ( -4.238 3.006 3.429) 6.225 1.099 ( -2.046 -4.692 4.578) 6.867 1.141 ( 2.267 -2.338 8.309) 8.924 1.183 ( 1.977 -3.451 0.154) 3.980 1.250 ( -0.526 0.887 5.026) 5.131 1.300 ( -1.027 -2.094 1.230) 2.636 1.360 ( 3.681 -2.149 4.255) 6.022 1.380 ( 5.146 -2.562 5.336) 7.844 1.416 ( 1.625 -2.439 0.436) 2.963 1.453 ( 1.325 1.269 7.727) 7.942 1.477 ( -3.338 0.860 1.204) 3.651 1.512 ( -3.275 1.028 2.863) 4.470 1.577 ( 3.189 2.912 5.120) 6.698 1.589 ( 0.450 2.820 2.949) 4.105 1.627 ( -3.190 -3.127 3.830) 5.884 1.730 ( -1.886 2.132 6.976) 7.534 1.764 ( 2.350 -0.682 -2.341) 3.387 1.778 ( 1.141 4.956 3.759) 6.323 1.799 ( -2.797 -2.819 -0.938) 4.080 1.865 ( -0.312 -1.999 -3.442) 3.992 1.869 ( 1.519 -0.529 -2.669) 3.116 1.874 ( -0.806 2.117 -0.551) 2.332 1.930 ( 1.971 1.733 -1.457) 3.002 1.956 ( -0.521 1.122 -2.410) 2.710 1.989 ( -1.776 2.337 3.273) 4.397 1.997 ( -2.356 1.844 -1.876) 3.532 2.004 ( -2.299 1.329 -2.147) 3.415 2.053 ( 1.245 0.394 -2.129) 2.497 2.067 ( 0.460 -0.158 -3.178) 3.215 2.095 ( -3.268 1.511 2.480) 4.372 2.136 ( 0.196 -0.258 -0.467) 0.568 2.153 ( -1.765 -1.168 3.668) 4.235 2.177 ( 3.307 0.844 0.259) 3.423 2.191 ( -3.584 -0.209 0.475) 3.621 2.263 ( -0.732 1.373 -1.401) 2.094 2.275 ( -0.740 -3.945 -1.593) 4.319 2.317 ( -1.995 1.554 1.890) 3.157 2.354 ( -2.499 -2.370 0.321) 3.459 2.363 ( -1.188 0.226 1.811) 2.177 2.375 ( -0.412 -0.783 -0.288) 0.930 2.420 ( -0.225 -0.157 -1.761) 1.782 2.457 ( 0.888 -8.337 5.301) 9.919 2.476 ( -2.211 3.047 1.039) 3.905 2.504 ( -1.485 -2.184 1.307) 2.947 2.569 ( 1.252 0.056 -0.779) 1.476 2.596 ( 0.641 -2.456 1.712) 3.061 2.653 ( 0.987 -3.965 0.045) 4.087 2.664 ( 0.830 -1.710 -2.259) 2.952 2.699 ( 1.179 -4.319 -0.245) 4.484 2.750 ( 1.274 -4.448 -0.559) 4.660 2.804 ( -0.723 0.755 -0.310) 1.091 2.824 ( 1.311 0.208 2.198) 2.568 2.838 ( -1.331 -0.597 -0.907) 1.718 2.859 ( -0.423 -1.118 1.337) 1.794 2.910 ( -1.622 0.553 0.091) 1.716 2.940 ( -2.001 2.262 -1.051) 3.198 2.984 ( 0.749 1.188 0.313) 1.439 3.005 ( 0.434 1.969 1.337) 2.419 3.064 ( -0.429 1.204 -0.984) 1.613 3.072 ( -0.960 5.471 0.977) 5.640 3.112 ( 3.938 1.307 0.701) 4.207 3.128 ( 4.524 2.117 -1.636) 5.256 3.164 ( 1.206 1.902 0.903) 2.427 3.185 ( 2.142 -0.328 3.518) 4.132 3.201 ( 1.020 0.941 2.363) 2.740 3.230 ( -0.458 -0.181 0.696) 0.853 3.257 ( 1.279 -1.918 2.555) 3.441 3.279 ( -0.150 -0.325 4.249) 4.264 3.309 ( 1.903 0.614 0.418) 2.043 3.320 ( 1.472 -1.733 2.722) 3.546 3.340 ( -1.541 2.050 2.765) 3.771 3.366 ( 0.680 -0.804 2.380) 2.603 3.390 ( 1.308 -3.565 0.785) 3.877 3.405 ( -0.539 -0.662 5.039) 5.111 3.498 ( -1.900 1.294 2.854) 3.665 3.534 ( -0.951 -0.716 3.989) 4.162 3.544 ( -1.878 1.319 3.970) 4.585 3.561 ( -0.782 -0.310 1.649) 1.851 3.573 ( 1.566 1.051 2.898) 3.458 3.597 ( 1.146 1.293 5.903) 6.150 3.633 ( 0.431 -1.087 3.030) 3.247 3.658 ( 0.878 0.268 2.466) 2.631 3.681 ( -2.352 -1.161 1.980) 3.286 3.726 ( -0.382 -0.552 -1.341) 1.500 3.753 ( 1.328 1.224 -0.292) 1.830 3.800 ( 0.193 -1.654 -0.568) 1.759 3.834 ( 0.410 4.252 -1.213) 4.440 3.925 ( -4.485 1.114 -3.819) 5.995 3.968 ( 0.042 0.460 1.140) 1.230 3.991 ( 0.034 -0.106 0.627) 0.637 4.008 ( -1.000 1.351 -2.799) 3.265 4.068 ( -1.463 -0.474 -5.650) 5.855 4.082 ( 0.831 -0.603 -6.450) 6.531 4.085 ( 1.254 -0.112 -6.362) 6.485 4.135 ( -0.606 1.601 -3.576) 3.964 4.185 ( 0.194 1.364 -2.354) 2.728 4.192 ( -0.555 0.116 -2.789) 2.846 4.207 ( -0.301 0.318 -3.533) 3.560 4.263 ( 5.199 -0.909 -4.471) 6.917 4.361 ( 0.571 -2.985 -9.378) 9.858 4.533 ( 1.694 -0.287 -3.072) 3.520 4.547 ( 0.666 -0.497 -3.126) 3.235 4.599 ( 0.359 2.868 -5.056) 5.823 4.688 ( -1.388 0.121 -7.617) 7.744 4.795 ( 0.068 2.114 0.444) 2.161 4.833 ( -0.181 0.050 1.625) 1.636 4.854 ( 0.802 -1.187 2.512) 2.892 4.900 ( 0.775 0.649 1.009) 1.428 4.926 ( 0.050 0.770 0.771) 1.091 4.931 ( -0.457 0.255 1.642) 1.723 4.953 ( -1.758 -0.693 -0.828) 2.063 5.021 ( -2.019 -6.711 1.339) 7.135 5.031 ( 0.631 0.661 -2.548) 2.707 5.056 ( -0.753 -0.979 -2.964) 3.211 5.130 ( -0.634 0.780 -2.250) 2.464 5.174 ( -1.425 -1.200 -2.991) 3.524 5.404 ( -0.515 1.336 4.896) 5.101 5.439 ( -1.032 0.481 8.842) 8.915 5.462 ( 1.833 -1.525 5.013) 5.551 5.518 ( -0.718 -3.449 0.941) 3.646 5.625 ( 2.535 2.858 -2.942) 4.822 5.683 ( 0.260 0.782 -3.782) 3.871 5.810 ( 2.026 -0.365 -0.203) 2.068 5.829 ( 0.780 -0.142 2.003) 2.154 5.874 ( 2.934 1.491 -3.551) 4.842 5.925 ( 0.080 2.040 -3.673) 4.202 5.960 ( 0.356 0.168 -7.247) 7.258 6.015 ( -1.171 1.814 -2.265) 3.129 6.116 ( 2.765 3.574 -9.607) 10.616 6.216 ( 1.047 1.880 -6.346) 6.701 6.284 ( -1.733 -1.533 -3.904) 4.538 6.381 ( -5.392 -5.082 -6.966) 10.170 10.253 ( 1.869 0.563 3.848) 4.315 10.285 ( 0.579 -0.872 3.644) 3.792 10.308 ( -0.512 0.356 3.475) 3.530 10.309 ( -0.558 0.246 3.835) 3.883 10.343 ( 0.761 0.064 2.025) 2.164 10.357 ( 0.010 -0.452 0.964) 1.064 10.443 ( -0.612 0.367 1.067) 1.284 10.468 ( -1.656 -0.879 0.852) 2.059 10.655 ( -0.120 1.614 4.165) 4.468 10.677 ( -0.852 0.530 3.230) 3.382 10.817 ( 1.336 1.712 -0.183) 2.180 10.884 ( -0.057 -0.107 -1.629) 1.634 10.943 ( 0.635 -0.445 8.007) 8.045 11.030 ( 0.205 0.338 2.704) 2.732 11.063 ( -0.594 -0.483 1.786) 1.943 11.148 ( -6.626 -7.252 4.211) 10.688 18.968 ( 0.062 0.050 0.652) 0.657 18.972 ( -0.089 -0.119 0.625) 0.643 19.015 ( -0.035 -0.218 -0.779) 0.810 19.016 ( -0.084 -0.250 -0.828) 0.869 27.109 ( 0.783 0.728 4.953) 5.067 27.143 ( 1.194 -0.200 5.109) 5.250 27.154 ( 0.117 1.619 4.794) 5.062 27.285 ( -3.286 -3.764 2.759) 5.708 27.424 ( 0.168 0.006 -1.321) 1.332 27.434 ( 0.382 -0.136 -1.487) 1.541 27.456 ( -0.774 0.421 -2.098) 2.276 27.479 ( -1.006 -0.525 -0.987) 1.504 29.258 ( -0.003 0.186 0.736) 0.759 29.270 ( -0.166 -0.284 0.933) 0.990 29.287 ( 0.640 -0.108 0.646) 0.915 29.295 ( -0.014 -0.276 0.690) 0.744 29.315 ( 0.495 0.931 0.044) 1.055 29.340 ( -0.394 1.095 0.227) 1.186 29.389 ( 2.975 0.737 -2.274) 3.816 29.501 ( -1.454 -3.252 -4.192) 5.501 30.714 ( 1.375 0.292 0.722) 1.580 30.725 ( 0.945 -0.161 0.394) 1.036 30.774 ( -0.534 0.241 -0.743) 0.946 30.783 ( -0.603 -0.088 -0.834) 1.033 30.826 ( 1.099 0.018 0.387) 1.165 30.832 ( 0.064 -0.161 1.225) 1.237 30.868 ( -0.741 0.636 -0.345) 1.036 30.904 ( -1.509 -0.858 -0.101) 1.738 35.262 ( 0.214 0.312 12.347) 12.353 35.291 ( -1.099 -1.111 12.002) 12.103 35.988 ( 0.146 0.173 -8.344) 8.347 35.996 ( -0.181 -0.193 -8.288) 8.292 36.772 ( 0.105 0.105 2.382) 2.387 36.776 ( -0.070 -0.094 2.419) 2.421 36.974 ( 1.007 -0.022 -3.532) 3.672 36.984 ( 0.385 -0.399 -3.719) 3.760 48.091 ( 0.227 0.203 0.394) 0.498 48.097 ( -0.044 -0.072 0.407) 0.416 48.124 ( 0.308 0.344 -0.310) 0.556 48.134 ( 0.089 0.020 -0.626) 0.633 48.154 ( -0.005 0.346 0.891) 0.956 48.172 ( -0.531 -0.373 0.570) 0.863 48.222 ( 0.204 0.191 -0.835) 0.880 48.234 ( -0.259 -0.326 -1.109) 1.184 50.242 ( 0.673 0.696 29.684) 29.700 50.269 ( -0.366 -0.447 31.441) 31.446 52.890 ( 3.283 21.567 -51.302) 55.747 53.286 ( -11.157 1.138 -59.524) 60.572 85.268 ( 0.511 1.005 1.139) 1.603 85.291 ( 1.349 2.062 2.406) 3.444 85.308 ( -1.065 -0.609 2.223) 2.539 85.343 ( -0.081 0.529 4.220) 4.254 85.669 ( 3.048 0.221 7.538) 8.134 85.735 ( -0.301 -1.648 12.675) 12.785 85.753 ( 3.466 4.841 10.755) 12.293 86.110 ( -7.639 -12.016 6.788) 15.774 86.353 ( -1.228 1.704 1.278) 2.458 86.403 ( -0.035 -0.885 -0.462) 0.999 86.421 ( -2.156 0.887 -1.020) 2.544 86.452 ( -0.669 -0.898 -2.904) 3.112 86.758 ( -0.546 3.165 6.129) 6.920 86.812 ( -1.278 -0.574 8.965) 9.074 86.935 ( 4.482 5.704 3.132) 7.902 87.295 ( -12.505 -10.286 0.744) 16.209 ======================= Grid point 57 (24/36) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.842 2.813 1.280) 3.598 0.807 ( 1.842 2.813 1.280) 3.598 0.896 ( -4.155 4.305 10.328) 11.935 0.896 ( 4.155 4.305 10.328) 11.935 0.986 ( -6.477 2.756 7.037) 9.953 0.986 ( 6.477 2.756 7.037) 9.953 1.188 ( -2.264 -3.689 3.600) 5.630 1.188 ( 2.264 -3.689 3.600) 5.630 1.269 ( -2.060 -0.976 2.352) 3.276 1.269 ( 2.060 -0.976 2.352) 3.276 1.406 ( -1.594 -0.717 3.866) 4.243 1.406 ( 1.594 -0.717 3.866) 4.243 1.456 ( -0.973 -0.718 0.997) 1.567 1.456 ( 0.973 -0.718 0.997) 1.567 1.499 ( -1.909 -2.134 2.923) 4.092 1.499 ( 1.909 -2.134 2.923) 4.092 1.590 ( -2.719 -0.990 3.279) 4.373 1.590 ( 2.719 -0.990 3.279) 4.373 1.691 ( -6.114 1.039 2.856) 6.828 1.691 ( 6.114 1.039 2.856) 6.828 1.745 ( -1.513 -0.733 3.849) 4.200 1.745 ( 1.513 -0.733 3.849) 4.200 1.812 ( -1.322 1.882 -0.903) 2.471 1.812 ( 1.322 1.882 -0.903) 2.471 1.860 ( -4.430 3.946 2.407) 6.403 1.860 ( 4.430 3.946 2.407) 6.403 1.930 ( -2.676 2.487 0.067) 3.654 1.930 ( 2.676 2.487 0.067) 3.654 1.990 ( -1.310 1.813 -1.863) 2.911 1.990 ( 1.310 1.813 -1.863) 2.911 2.038 ( -1.224 -1.573 -1.870) 2.733 2.038 ( 1.224 -1.573 -1.870) 2.733 2.044 ( -1.259 2.108 1.134) 2.705 2.044 ( 1.259 2.108 1.134) 2.705 2.128 ( -1.974 -1.650 -1.230) 2.852 2.128 ( 1.974 -1.650 -1.230) 2.852 2.199 ( -3.402 1.446 -1.547) 4.007 2.199 ( 3.402 1.446 -1.547) 4.007 2.280 ( -2.562 -2.659 0.239) 3.700 2.280 ( 2.562 -2.659 0.239) 3.700 2.285 ( -2.832 -0.432 1.725) 3.344 2.285 ( 2.832 -0.432 1.725) 3.344 2.364 ( -0.570 0.638 0.293) 0.904 2.364 ( 0.570 0.638 0.293) 0.904 2.437 ( -1.199 1.695 -0.782) 2.219 2.437 ( 1.199 1.695 -0.782) 2.219 2.480 ( -1.268 -4.313 3.746) 5.852 2.480 ( 1.268 -4.313 3.746) 5.852 2.591 ( -1.123 0.124 -0.799) 1.384 2.591 ( 1.123 0.124 -0.799) 1.384 2.657 ( -0.374 -5.715 1.308) 5.875 2.657 ( 0.374 -5.715 1.308) 5.875 2.741 ( -1.544 -5.222 -1.236) 5.584 2.741 ( 1.544 -5.222 -1.236) 5.584 2.812 ( -1.105 -0.966 -1.288) 1.953 2.812 ( 1.105 -0.966 -1.288) 1.953 2.861 ( -1.249 -0.133 2.249) 2.576 2.861 ( 1.249 -0.133 2.249) 2.576 2.888 ( -1.798 -0.310 -1.492) 2.357 2.888 ( 1.798 -0.310 -1.492) 2.357 3.018 ( -1.020 2.815 1.711) 3.449 3.018 ( 1.020 2.815 1.711) 3.449 3.050 ( -0.308 4.594 0.912) 4.694 3.050 ( 0.308 4.594 0.912) 4.694 3.162 ( -0.985 0.289 0.635) 1.208 3.162 ( 0.985 0.289 0.635) 1.208 3.198 ( -1.236 2.274 -0.070) 2.590 3.198 ( 1.236 2.274 -0.070) 2.590 3.235 ( -1.301 0.921 1.670) 2.309 3.235 ( 1.301 0.921 1.670) 2.309 3.263 ( -2.001 1.354 5.421) 5.935 3.263 ( 2.001 1.354 5.421) 5.935 3.334 ( -1.323 -3.073 0.429) 3.373 3.334 ( 1.323 -3.073 0.429) 3.373 3.356 ( -0.590 0.936 2.508) 2.741 3.356 ( 0.590 0.936 2.508) 2.741 3.397 ( -0.234 -1.250 2.596) 2.891 3.397 ( 0.234 -1.250 2.596) 2.891 3.494 ( -1.933 -0.028 2.271) 2.982 3.494 ( 1.933 -0.028 2.271) 2.982 3.540 ( -1.117 -1.216 3.900) 4.235 3.540 ( 1.117 -1.216 3.900) 4.235 3.623 ( -0.425 0.273 5.158) 5.182 3.623 ( 0.425 0.273 5.158) 5.182 3.627 ( -1.613 0.189 2.075) 2.635 3.627 ( 1.613 0.189 2.075) 2.635 3.698 ( -2.310 -1.156 0.286) 2.599 3.698 ( 2.310 -1.156 0.286) 2.599 3.783 ( -1.482 -0.096 -0.775) 1.675 3.783 ( 1.482 -0.096 -0.775) 1.675 3.855 ( -1.893 3.702 -2.833) 5.032 3.855 ( 1.893 3.702 -2.833) 5.032 3.972 ( -0.750 1.135 -0.070) 1.362 3.972 ( 0.750 1.135 -0.070) 1.362 4.031 ( -1.860 -0.052 -4.946) 5.285 4.031 ( 1.860 -0.052 -4.946) 5.285 4.099 ( -0.980 0.066 -5.309) 5.399 4.099 ( 0.980 0.066 -5.309) 5.399 4.144 ( -2.315 0.463 -3.794) 4.468 4.144 ( 2.315 0.463 -3.794) 4.468 4.203 ( -0.461 1.240 -2.711) 3.016 4.203 ( 0.461 1.240 -2.711) 3.016 4.346 ( -2.318 -2.449 -7.102) 7.862 4.346 ( 2.318 -2.449 -7.102) 7.862 4.557 ( -0.489 -0.472 -2.363) 2.459 4.557 ( 0.489 -0.472 -2.363) 2.459 4.639 ( -3.227 0.387 -7.589) 8.256 4.639 ( 3.227 0.387 -7.589) 8.256 4.814 ( -1.336 1.659 0.865) 2.299 4.814 ( 1.336 1.659 0.865) 2.299 4.880 ( -1.961 -1.946 2.393) 3.656 4.880 ( 1.961 -1.946 2.393) 3.656 4.928 ( -0.039 1.054 0.472) 1.155 4.928 ( 0.039 1.054 0.472) 1.155 4.959 ( -2.392 -0.931 0.968) 2.743 4.959 ( 2.392 -0.931 0.968) 2.743 5.048 ( -0.717 -0.110 -2.279) 2.392 5.048 ( 0.717 -0.110 -2.279) 2.392 5.141 ( -1.445 -0.429 -2.454) 2.880 5.141 ( 1.445 -0.429 -2.454) 2.880 5.413 ( -1.182 0.820 7.223) 7.365 5.413 ( 1.182 0.820 7.223) 7.365 5.499 ( -1.405 -3.646 2.327) 4.548 5.499 ( 1.405 -3.646 2.327) 4.548 5.667 ( -1.524 2.553 -2.980) 4.210 5.667 ( 1.524 2.553 -2.980) 4.210 5.839 ( -0.426 -0.031 0.505) 0.661 5.839 ( 0.426 -0.031 0.505) 0.661 5.932 ( -0.730 0.692 -2.669) 2.852 5.932 ( 0.730 0.692 -2.669) 2.852 5.962 ( -1.947 2.261 -6.202) 6.882 5.962 ( 1.947 2.261 -6.202) 6.882 6.226 ( -4.950 -1.756 -8.087) 9.643 6.226 ( 4.950 -1.756 -8.087) 9.643 6.259 ( -3.632 -0.086 -5.105) 6.266 6.259 ( 3.632 -0.086 -5.105) 6.266 10.292 ( -1.337 -0.015 3.801) 4.029 10.292 ( 1.337 -0.015 3.801) 4.029 10.297 ( -0.659 -0.039 3.634) 3.694 10.297 ( 0.659 -0.039 3.634) 3.694 10.355 ( -0.326 -0.165 1.252) 1.304 10.355 ( 0.326 -0.165 1.252) 1.304 10.438 ( -0.623 -0.047 1.283) 1.427 10.438 ( 0.623 -0.047 1.283) 1.427 10.660 ( -0.612 0.842 4.099) 4.229 10.660 ( 0.612 0.842 4.099) 4.229 10.855 ( -2.137 1.684 0.121) 2.724 10.855 ( 2.137 1.684 0.121) 2.724 10.995 ( -3.802 -3.889 4.743) 7.216 10.995 ( 3.802 -3.889 4.743) 7.216 11.061 ( -1.150 0.241 3.448) 3.643 11.061 ( 1.150 0.241 3.448) 3.643 18.970 ( -0.105 -0.052 0.638) 0.649 18.970 ( 0.105 -0.052 0.638) 0.649 19.015 ( -0.032 -0.214 -0.758) 0.788 19.015 ( 0.032 -0.214 -0.758) 0.788 27.130 ( -1.085 1.341 5.101) 5.385 27.130 ( 1.085 1.341 5.101) 5.385 27.207 ( -3.645 -1.826 4.606) 6.151 27.207 ( 3.645 -1.826 4.606) 6.151 27.436 ( -0.961 0.366 -1.961) 2.214 27.436 ( 0.961 0.366 -1.961) 2.214 27.454 ( -1.271 -0.358 -1.408) 1.930 27.454 ( 1.271 -0.358 -1.408) 1.930 29.263 ( -0.376 -0.106 1.051) 1.121 29.263 ( 0.376 -0.106 1.051) 1.121 29.294 ( -0.079 -0.286 0.699) 0.759 29.294 ( 0.079 -0.286 0.699) 0.759 29.328 ( -0.698 1.401 0.067) 1.567 29.328 ( 0.698 1.401 0.067) 1.567 29.455 ( -2.899 -1.620 -3.932) 5.147 29.455 ( 2.899 -1.620 -3.932) 5.147 30.746 ( -0.467 -0.101 0.693) 0.842 30.746 ( 0.467 -0.101 0.693) 0.842 30.757 ( -0.481 0.320 0.029) 0.578 30.757 ( 0.481 0.320 0.029) 0.578 30.846 ( -1.095 0.206 -0.154) 1.125 30.846 ( 1.095 0.206 -0.154) 1.125 30.864 ( -2.107 -0.454 -0.237) 2.168 30.864 ( 2.107 -0.454 -0.237) 2.168 35.271 ( -0.726 -0.197 12.362) 12.385 35.271 ( 0.726 -0.197 12.362) 12.385 35.992 ( -0.231 -0.008 -8.329) 8.332 35.992 ( 0.231 -0.008 -8.329) 8.332 36.774 ( -0.125 -0.000 2.421) 2.425 36.774 ( 0.125 -0.000 2.421) 2.425 36.988 ( -0.194 -0.324 -3.989) 4.007 36.988 ( 0.194 -0.324 -3.989) 4.007 48.095 ( -0.178 0.055 0.380) 0.424 48.095 ( 0.178 0.055 0.380) 0.424 48.132 ( -0.349 0.399 -0.536) 0.753 48.132 ( 0.349 0.399 -0.536) 0.753 48.160 ( -0.541 -0.252 0.837) 1.028 48.160 ( 0.541 -0.252 0.837) 1.028 48.227 ( -0.327 -0.046 -0.992) 1.045 48.227 ( 0.327 -0.046 -0.992) 1.045 50.258 ( -0.724 0.033 30.390) 30.398 50.258 ( 0.724 0.033 30.390) 30.398 53.038 ( -10.770 9.046 -51.916) 53.788 53.038 ( 10.770 9.046 -51.916) 53.788 85.284 ( -0.975 0.058 1.363) 1.677 85.284 ( 0.975 0.058 1.363) 1.677 85.326 ( -1.475 1.994 3.512) 4.300 85.326 ( 1.475 1.994 3.512) 4.300 85.718 ( -1.444 -0.780 8.933) 9.083 85.718 ( 1.444 -0.780 8.933) 9.083 85.901 ( -10.319 -2.557 12.237) 16.210 85.901 ( 10.319 -2.557 12.237) 16.210 86.364 ( -2.064 1.376 1.515) 2.907 86.364 ( 2.064 1.376 1.515) 2.907 86.427 ( -1.414 -0.699 -2.046) 2.584 86.427 ( 1.414 -0.699 -2.046) 2.584 86.778 ( -1.800 0.909 6.486) 6.792 86.778 ( 1.800 0.909 6.486) 6.792 87.066 ( -8.624 -1.830 2.755) 9.236 87.066 ( 8.624 -1.830 2.755) 9.236 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 -5.681 10.558) 11.989 0.742 ( 0.000 5.681 10.558) 11.989 0.893 ( 0.000 -9.528 3.109) 10.022 0.893 ( 0.000 9.528 3.109) 10.022 1.061 ( 0.000 -2.354 11.566) 11.803 1.061 ( 0.000 2.354 11.566) 11.803 1.118 ( 0.000 -1.762 -0.175) 1.771 1.118 ( 0.000 1.762 -0.175) 1.771 1.252 ( 0.000 -2.540 5.784) 6.317 1.252 ( 0.000 2.540 5.784) 6.317 1.291 ( 0.000 -2.917 5.844) 6.532 1.291 ( 0.000 2.917 5.844) 6.532 1.457 ( 0.000 -6.723 0.361) 6.733 1.457 ( 0.000 6.723 0.361) 6.733 1.555 ( 0.000 -4.003 2.450) 4.693 1.555 ( 0.000 4.003 2.450) 4.693 1.600 ( 0.000 -4.004 -1.075) 4.146 1.600 ( 0.000 4.004 -1.075) 4.146 1.698 ( 0.000 -7.577 2.531) 7.989 1.698 ( 0.000 7.577 2.531) 7.989 1.768 ( 0.000 -2.418 -2.355) 3.375 1.768 ( 0.000 2.418 -2.355) 3.375 1.833 ( 0.000 -2.692 4.820) 5.521 1.833 ( 0.000 2.692 4.820) 5.521 1.859 ( 0.000 -3.383 -1.410) 3.665 1.859 ( 0.000 3.383 -1.410) 3.665 1.989 ( 0.000 -0.897 -4.961) 5.041 1.989 ( 0.000 0.897 -4.961) 5.041 2.006 ( 0.000 -5.701 4.778) 7.438 2.006 ( 0.000 5.701 4.778) 7.438 2.046 ( 0.000 -6.206 2.817) 6.815 2.046 ( 0.000 6.206 2.817) 6.815 2.073 ( 0.000 -2.034 -3.202) 3.794 2.073 ( 0.000 2.034 -3.202) 3.794 2.130 ( 0.000 -4.010 1.481) 4.275 2.130 ( 0.000 4.010 1.481) 4.275 2.227 ( 0.000 -3.263 -0.234) 3.271 2.227 ( 0.000 3.263 -0.234) 3.271 2.253 ( 0.000 -4.955 2.336) 5.478 2.253 ( 0.000 4.955 2.336) 5.478 2.327 ( 0.000 -1.713 -4.185) 4.522 2.327 ( 0.000 1.713 -4.185) 4.522 2.358 ( 0.000 -1.312 1.861) 2.276 2.358 ( 0.000 1.312 1.861) 2.276 2.439 ( 0.000 -3.379 1.916) 3.884 2.439 ( 0.000 3.379 1.916) 3.884 2.506 ( 0.000 -2.913 0.538) 2.962 2.506 ( 0.000 2.913 0.538) 2.962 2.555 ( 0.000 -1.681 -2.648) 3.136 2.555 ( 0.000 1.681 -2.648) 3.136 2.650 ( 0.000 -3.629 1.632) 3.979 2.650 ( 0.000 3.629 1.632) 3.979 2.661 ( 0.000 -3.713 1.189) 3.899 2.661 ( 0.000 3.713 1.189) 3.899 2.827 ( 0.000 -2.787 -1.093) 2.993 2.827 ( 0.000 2.787 -1.093) 2.993 2.845 ( 0.000 -1.465 5.080) 5.287 2.845 ( 0.000 1.465 5.080) 5.287 3.007 ( 0.000 -3.987 -1.144) 4.148 3.007 ( 0.000 3.987 -1.144) 4.148 3.008 ( 0.000 -3.074 -0.643) 3.140 3.008 ( 0.000 3.074 -0.643) 3.140 3.037 ( 0.000 -2.153 -5.179) 5.608 3.037 ( 0.000 2.153 -5.179) 5.608 3.081 ( 0.000 -2.182 3.356) 4.003 3.081 ( 0.000 2.182 3.356) 4.003 3.186 ( 0.000 -1.931 0.396) 1.971 3.186 ( 0.000 1.931 0.396) 1.971 3.199 ( 0.000 -4.123 0.936) 4.227 3.199 ( 0.000 4.123 0.936) 4.227 3.252 ( 0.000 -2.328 3.166) 3.929 3.252 ( 0.000 2.328 3.166) 3.929 3.285 ( 0.000 -2.389 2.814) 3.692 3.285 ( 0.000 2.389 2.814) 3.692 3.326 ( 0.000 -1.980 2.397) 3.109 3.326 ( 0.000 1.980 2.397) 3.109 3.407 ( 0.000 -1.594 3.996) 4.302 3.407 ( 0.000 1.594 3.996) 4.302 3.547 ( 0.000 -1.339 1.885) 2.312 3.547 ( 0.000 1.339 1.885) 2.312 3.559 ( 0.000 -0.755 6.387) 6.432 3.559 ( 0.000 0.755 6.387) 6.432 3.607 ( 0.000 -1.416 4.356) 4.580 3.607 ( 0.000 1.416 4.356) 4.580 3.638 ( 0.000 -1.057 -0.484) 1.163 3.638 ( 0.000 1.057 -0.484) 1.163 3.722 ( 0.000 -2.567 2.227) 3.398 3.722 ( 0.000 2.567 2.227) 3.398 3.739 ( 0.000 -0.443 -1.103) 1.189 3.739 ( 0.000 0.443 -1.103) 1.189 3.930 ( 0.000 -3.852 -0.725) 3.920 3.930 ( 0.000 3.852 -0.725) 3.920 3.997 ( 0.000 -2.658 2.192) 3.446 3.997 ( 0.000 2.658 2.192) 3.446 4.031 ( 0.000 -0.343 -4.651) 4.664 4.031 ( 0.000 0.343 -4.651) 4.664 4.076 ( 0.000 -0.329 -6.858) 6.866 4.076 ( 0.000 0.329 -6.858) 6.866 4.150 ( 0.000 -0.601 -3.395) 3.448 4.150 ( 0.000 0.601 -3.395) 3.448 4.217 ( 0.000 -0.535 -3.464) 3.506 4.217 ( 0.000 0.535 -3.464) 3.506 4.271 ( 0.000 -4.676 -5.451) 7.182 4.271 ( 0.000 4.676 -5.451) 7.182 4.528 ( 0.000 -0.794 -3.291) 3.386 4.528 ( 0.000 0.794 -3.291) 3.386 4.674 ( 0.000 -3.844 -7.437) 8.372 4.674 ( 0.000 3.844 -7.437) 8.372 4.822 ( 0.000 -0.793 2.013) 2.164 4.822 ( 0.000 0.793 2.013) 2.164 4.878 ( 0.000 -5.914 1.471) 6.095 4.878 ( 0.000 5.914 1.471) 6.095 4.915 ( 0.000 -1.107 1.365) 1.757 4.915 ( 0.000 1.107 1.365) 1.757 4.962 ( 0.000 -1.307 0.042) 1.308 4.962 ( 0.000 1.308 0.042) 1.308 5.045 ( 0.000 -0.905 -3.185) 3.311 5.045 ( 0.000 0.905 -3.185) 3.311 5.161 ( 0.000 -1.619 -2.976) 3.387 5.161 ( 0.000 1.619 -2.976) 3.387 5.439 ( 0.000 -0.404 6.567) 6.580 5.439 ( 0.000 0.404 6.567) 6.580 5.476 ( 0.000 -2.829 3.818) 4.752 5.476 ( 0.000 2.829 3.818) 4.752 5.639 ( 0.000 -2.319 -2.937) 3.742 5.639 ( 0.000 2.319 -2.937) 3.742 5.791 ( 0.000 -1.487 -2.323) 2.758 5.791 ( 0.000 1.487 -2.323) 2.758 5.893 ( 0.000 -2.889 -1.191) 3.125 5.893 ( 0.000 2.889 -1.191) 3.125 6.006 ( 0.000 -2.044 -5.342) 5.720 6.006 ( 0.000 2.044 -5.342) 5.720 6.254 ( 0.000 -2.902 -5.334) 6.072 6.254 ( 0.000 2.902 -5.334) 6.072 6.283 ( 0.000 -10.137 -8.238) 13.062 6.283 ( 0.000 10.137 -8.238) 13.062 10.253 ( 0.000 -1.333 3.711) 3.943 10.253 ( 0.000 1.333 3.711) 3.943 10.322 ( 0.000 -0.389 4.486) 4.503 10.322 ( 0.000 0.389 4.486) 4.503 10.342 ( 0.000 -0.991 0.657) 1.188 10.342 ( 0.000 0.991 0.657) 1.188 10.464 ( 0.000 -1.008 1.040) 1.449 10.464 ( 0.000 1.008 1.040) 1.449 10.689 ( 0.000 -0.788 2.976) 3.079 10.689 ( 0.000 0.788 2.976) 3.079 10.836 ( 0.000 -2.183 -0.799) 2.325 10.836 ( 0.000 2.183 -0.799) 2.325 11.039 ( 0.000 -8.313 7.518) 11.208 11.039 ( 0.000 8.313 7.518) 11.208 11.050 ( 0.000 -1.229 1.803) 2.182 11.050 ( 0.000 1.229 1.803) 2.182 18.970 ( 0.000 -0.168 0.626) 0.649 18.970 ( 0.000 0.168 0.626) 0.649 19.014 ( 0.000 -0.070 -0.822) 0.825 19.014 ( 0.000 0.070 -0.822) 0.825 27.112 ( 0.000 -0.690 4.875) 4.923 27.112 ( 0.000 0.690 4.875) 4.923 27.228 ( 0.000 -4.730 3.969) 6.174 27.228 ( 0.000 4.730 3.969) 6.174 27.425 ( 0.000 -0.500 -1.398) 1.485 27.425 ( 0.000 0.500 -1.398) 1.485 27.477 ( 0.000 -0.788 -1.484) 1.680 27.477 ( 0.000 0.788 -1.484) 1.680 29.268 ( 0.000 -0.289 0.866) 0.913 29.268 ( 0.000 0.289 0.866) 0.913 29.281 ( 0.000 -0.740 0.074) 0.744 29.281 ( 0.000 0.740 0.074) 0.744 29.328 ( 0.000 -1.013 0.471) 1.117 29.328 ( 0.000 1.013 0.471) 1.117 29.433 ( 0.000 -4.560 -2.132) 5.034 29.433 ( 0.000 4.560 -2.132) 5.034 30.707 ( 0.000 -0.500 0.568) 0.757 30.707 ( 0.000 0.500 0.568) 0.757 30.781 ( 0.000 -0.273 -1.629) 1.652 30.781 ( 0.000 0.273 -1.629) 1.652 30.826 ( 0.000 -0.551 1.603) 1.695 30.826 ( 0.000 0.551 1.603) 1.695 30.897 ( 0.000 -1.369 -0.210) 1.385 30.897 ( 0.000 1.369 -0.210) 1.385 35.276 ( 0.000 -1.247 12.279) 12.342 35.276 ( 0.000 1.247 12.279) 12.342 35.992 ( 0.000 -0.366 -8.312) 8.320 35.992 ( 0.000 0.366 -8.312) 8.320 36.774 ( 0.000 -0.195 2.373) 2.381 36.774 ( 0.000 0.195 2.373) 2.381 36.969 ( 0.000 -0.573 -3.133) 3.185 36.969 ( 0.000 0.573 -3.133) 3.185 48.094 ( 0.000 -0.302 0.376) 0.482 48.094 ( 0.000 0.302 0.376) 0.482 48.127 ( 0.000 -0.352 -0.305) 0.466 48.127 ( 0.000 0.352 -0.305) 0.466 48.168 ( 0.000 -0.644 0.467) 0.796 48.168 ( 0.000 0.644 0.467) 0.796 48.227 ( 0.000 -0.523 -0.881) 1.025 48.227 ( 0.000 0.523 -0.881) 1.025 50.256 ( 0.000 -1.154 30.942) 30.964 50.256 ( 0.000 1.154 30.942) 30.964 53.296 ( 0.000 -14.369 -67.742) 69.249 53.296 ( 0.000 14.369 -67.742) 69.249 85.300 ( 0.000 -2.061 2.034) 2.896 85.300 ( 0.000 2.061 2.034) 2.896 85.310 ( 0.000 -1.712 2.337) 2.897 85.310 ( 0.000 1.712 2.337) 2.897 85.684 ( 0.000 -3.194 11.979) 12.398 85.684 ( 0.000 3.194 11.979) 12.398 85.909 ( 0.000 -13.431 6.910) 15.104 85.909 ( 0.000 13.431 6.910) 15.104 86.393 ( 0.000 -1.242 -0.507) 1.342 86.393 ( 0.000 1.242 -0.507) 1.342 86.441 ( 0.000 -0.130 -2.093) 2.097 86.441 ( 0.000 0.130 -2.093) 2.097 86.808 ( 0.000 -1.312 8.131) 8.236 86.808 ( 0.000 1.312 8.131) 8.236 87.144 ( 0.000 -16.093 2.541) 16.292 87.144 ( 0.000 16.093 2.541) 16.292 ======================= Grid point 62 (26/36) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.884 -3.271 6.751) 8.037 0.758 ( 2.884 3.271 6.751) 8.037 0.955 ( 3.919 -6.266 6.027) 9.537 0.955 ( 3.919 6.266 6.027) 9.537 1.057 ( -3.180 -2.584 5.244) 6.655 1.057 ( -3.180 2.584 5.244) 6.655 1.117 ( 1.733 -1.260 3.152) 3.811 1.117 ( 1.733 1.260 3.152) 3.811 1.267 ( -1.156 -1.373 10.488) 10.641 1.267 ( -1.156 1.373 10.488) 10.641 1.336 ( 5.926 -0.437 0.505) 5.963 1.336 ( 5.926 0.437 0.505) 5.963 1.438 ( -0.937 -4.239 2.126) 4.834 1.438 ( -0.937 4.239 2.126) 4.834 1.503 ( -2.918 -1.281 2.030) 3.779 1.503 ( -2.918 1.281 2.030) 3.779 1.584 ( -1.480 -2.464 2.999) 4.154 1.584 ( -1.480 2.464 2.999) 4.154 1.697 ( 0.926 -5.516 -0.368) 5.606 1.697 ( 0.926 5.516 -0.368) 5.606 1.772 ( -1.569 -0.934 3.776) 4.194 1.772 ( -1.569 0.934 3.776) 4.194 1.822 ( 0.281 -1.437 -2.679) 3.053 1.822 ( 0.281 1.437 -2.679) 3.053 1.921 ( 3.930 -2.942 -0.573) 4.943 1.921 ( 3.930 2.942 -0.573) 4.943 1.948 ( -2.643 -4.156 -0.064) 4.926 1.948 ( -2.643 4.156 -0.064) 4.926 2.014 ( -1.133 -3.151 -0.656) 3.412 2.014 ( -1.133 3.151 -0.656) 3.412 2.034 ( -0.139 -1.032 -0.889) 1.370 2.034 ( -0.139 1.032 -0.889) 1.370 2.083 ( 0.730 -1.713 1.115) 2.171 2.083 ( 0.730 1.713 1.115) 2.171 2.129 ( -0.274 -2.096 -0.706) 2.229 2.129 ( -0.274 2.096 -0.706) 2.229 2.207 ( -1.016 -4.534 1.854) 5.003 2.207 ( -1.016 4.534 1.854) 5.003 2.226 ( -1.931 -2.132 -1.176) 3.107 2.226 ( -1.931 2.132 -1.176) 3.107 2.337 ( 1.272 -2.697 1.803) 3.485 2.337 ( 1.272 2.697 1.803) 3.485 2.347 ( -4.194 -1.674 2.102) 4.981 2.347 ( -4.194 1.674 2.102) 4.981 2.414 ( 1.026 -1.191 2.152) 2.665 2.414 ( 1.026 1.191 2.152) 2.665 2.513 ( 0.389 -2.981 1.216) 3.243 2.513 ( 0.389 2.981 1.216) 3.243 2.547 ( -0.345 -2.035 0.357) 2.094 2.547 ( -0.345 2.035 0.357) 2.094 2.627 ( -1.055 -1.273 -1.243) 2.069 2.627 ( -1.055 1.273 -1.243) 2.069 2.679 ( 0.430 -2.884 -1.742) 3.397 2.679 ( 0.430 2.884 -1.742) 3.397 2.822 ( -1.252 -1.185 -0.082) 1.726 2.822 ( -1.252 1.185 -0.082) 1.726 2.842 ( 0.374 -0.965 1.860) 2.129 2.842 ( 0.374 0.965 1.860) 2.129 2.935 ( -3.132 -1.516 -1.689) 3.868 2.935 ( -3.132 1.516 -1.689) 3.868 3.006 ( 1.237 -1.532 1.825) 2.684 3.006 ( 1.237 1.532 1.825) 2.684 3.094 ( 0.771 -1.042 1.780) 2.202 3.094 ( 0.771 1.042 1.780) 2.202 3.148 ( 4.187 -1.299 -0.844) 4.464 3.148 ( 4.187 1.299 -0.844) 4.464 3.204 ( 1.749 -2.682 -1.350) 3.474 3.204 ( 1.749 2.682 -1.350) 3.474 3.216 ( 1.389 -2.243 3.118) 4.084 3.216 ( 1.389 2.243 3.118) 4.084 3.250 ( 0.756 -3.107 2.772) 4.232 3.250 ( 0.756 3.107 2.772) 4.232 3.301 ( 0.648 -3.386 1.830) 3.903 3.301 ( 0.648 3.386 1.830) 3.903 3.347 ( 1.864 -1.977 1.730) 3.221 3.347 ( 1.864 1.977 1.730) 3.221 3.387 ( -1.591 -1.273 3.889) 4.391 3.387 ( -1.591 1.273 3.889) 4.391 3.519 ( -1.476 -0.903 4.256) 4.595 3.519 ( -1.476 0.903 4.256) 4.595 3.552 ( -2.471 -0.528 1.173) 2.786 3.552 ( -2.471 0.528 1.173) 2.786 3.603 ( 1.621 -1.638 3.608) 4.281 3.603 ( 1.621 1.638 3.608) 4.281 3.638 ( -0.721 -1.899 4.504) 4.941 3.638 ( -0.721 1.899 4.504) 4.941 3.699 ( -0.446 -2.193 0.505) 2.294 3.699 ( -0.446 2.193 0.505) 2.294 3.771 ( 0.975 -1.031 -0.148) 1.426 3.771 ( 0.975 1.031 -0.148) 1.426 3.915 ( -1.593 -2.692 -3.798) 4.921 3.915 ( -1.593 2.692 -3.798) 4.921 3.982 ( 0.089 -0.851 0.975) 1.297 3.982 ( 0.089 0.851 0.975) 1.297 4.043 ( -0.521 -2.205 -3.777) 4.405 4.043 ( -0.521 2.205 -3.777) 4.405 4.079 ( 1.161 -0.360 -6.823) 6.930 4.079 ( 1.161 0.360 -6.823) 6.930 4.169 ( 0.080 -1.827 -2.482) 3.082 4.169 ( 0.080 1.827 -2.482) 3.082 4.208 ( 0.436 -0.233 -2.792) 2.836 4.208 ( 0.436 0.233 -2.792) 2.836 4.289 ( 1.183 -3.911 -6.244) 7.462 4.289 ( 1.183 3.911 -6.244) 7.462 4.536 ( 0.819 -0.534 -2.823) 2.987 4.536 ( 0.819 0.534 -2.823) 2.987 4.661 ( -1.155 -3.069 -7.156) 7.871 4.661 ( -1.155 3.069 -7.156) 7.871 4.830 ( 0.671 -0.835 1.394) 1.758 4.830 ( 0.671 0.835 1.394) 1.758 4.862 ( -0.961 -3.261 1.350) 3.657 4.862 ( -0.961 3.261 1.350) 3.657 4.933 ( 0.974 -0.739 0.782) 1.451 4.933 ( 0.974 0.739 0.782) 1.451 4.953 ( -0.579 -1.619 0.493) 1.789 4.953 ( -0.579 1.619 0.493) 1.789 5.045 ( 0.137 -0.581 -2.571) 2.639 5.045 ( 0.137 0.581 -2.571) 2.639 5.149 ( -0.999 -1.287 -2.923) 3.347 5.149 ( -0.999 1.287 -2.923) 3.347 5.437 ( -0.781 -1.469 4.581) 4.874 5.437 ( -0.781 1.469 4.581) 4.874 5.461 ( -0.226 -1.999 5.739) 6.082 5.461 ( -0.226 1.999 5.739) 6.082 5.668 ( 1.834 -1.871 -3.184) 4.124 5.668 ( 1.834 1.871 -3.184) 4.124 5.814 ( 1.910 -0.867 -0.580) 2.177 5.814 ( 1.910 0.867 -0.580) 2.177 5.908 ( 1.178 -2.403 -3.110) 4.103 5.908 ( 1.178 2.403 -3.110) 4.103 6.006 ( 0.025 -2.340 -3.561) 4.261 6.006 ( 0.025 2.340 -3.561) 4.261 6.227 ( -2.031 -4.897 -8.329) 9.873 6.227 ( -2.031 4.897 -8.329) 9.873 6.272 ( -0.944 -4.023 -6.576) 7.767 6.272 ( -0.944 4.023 -6.576) 7.767 10.267 ( 1.257 -0.949 3.696) 4.017 10.267 ( 1.257 0.949 3.696) 4.017 10.312 ( -0.709 -0.007 4.060) 4.122 10.312 ( -0.709 0.007 4.060) 4.122 10.348 ( 0.388 -0.472 0.972) 1.148 10.348 ( 0.388 0.472 0.972) 1.148 10.452 ( -0.979 -0.692 1.182) 1.683 10.452 ( -0.979 0.692 1.182) 1.683 10.678 ( -0.710 -0.610 3.478) 3.602 10.678 ( -0.710 0.610 3.478) 3.602 10.858 ( 1.785 -2.347 -0.740) 3.040 10.858 ( 1.785 2.347 -0.740) 3.040 10.987 ( -3.394 -4.853 6.100) 8.502 10.987 ( -3.394 4.853 6.100) 8.502 11.062 ( 0.158 -1.060 3.366) 3.532 11.062 ( 0.158 1.060 3.366) 3.532 18.970 ( -0.029 -0.117 0.625) 0.636 18.970 ( -0.029 0.117 0.625) 0.636 19.013 ( -0.046 -0.046 -0.756) 0.759 19.013 ( -0.046 0.046 -0.756) 0.759 27.126 ( 1.326 -1.054 4.963) 5.244 27.126 ( 1.326 1.054 4.963) 5.244 27.210 ( -1.683 -3.879 4.421) 6.118 27.210 ( -1.683 3.879 4.421) 6.118 27.428 ( 0.449 -0.368 -1.599) 1.701 27.428 ( 0.449 0.368 -1.599) 1.701 27.467 ( -0.879 -0.702 -1.578) 1.938 27.467 ( -0.879 0.702 -1.578) 1.938 29.263 ( -0.162 -0.336 0.797) 0.880 29.263 ( -0.162 0.336 0.797) 0.880 29.290 ( 0.324 -0.269 0.645) 0.770 29.290 ( 0.324 0.269 0.645) 0.770 29.336 ( 0.686 -1.067 0.116) 1.273 29.336 ( 0.686 1.067 0.116) 1.273 29.433 ( 0.038 -3.530 -2.803) 4.508 29.433 ( 0.038 3.530 -2.803) 4.508 30.720 ( 1.170 -0.359 0.620) 1.372 30.720 ( 1.170 0.359 0.620) 1.372 30.779 ( -0.521 -0.272 -0.761) 0.961 30.779 ( -0.521 0.272 -0.761) 0.961 30.828 ( 0.564 -0.179 0.747) 0.953 30.828 ( 0.564 0.179 0.747) 0.953 30.885 ( -1.156 -1.116 -0.288) 1.633 30.885 ( -1.156 1.116 -0.288) 1.633 35.272 ( -0.258 -0.826 12.352) 12.382 35.272 ( -0.258 0.826 12.352) 12.382 35.992 ( -0.016 -0.259 -8.324) 8.328 35.992 ( -0.016 0.259 -8.324) 8.328 36.774 ( 0.013 -0.139 2.395) 2.399 36.774 ( 0.013 0.139 2.395) 2.399 36.977 ( 0.573 -0.321 -3.454) 3.516 36.977 ( 0.573 0.321 -3.454) 3.516 48.095 ( 0.081 -0.208 0.340) 0.407 48.095 ( 0.081 0.208 0.340) 0.407 48.131 ( 0.345 -0.349 -0.406) 0.637 48.131 ( 0.345 0.349 -0.406) 0.637 48.163 ( -0.429 -0.548 0.610) 0.926 48.163 ( -0.429 0.548 0.610) 0.926 48.227 ( -0.009 -0.366 -0.898) 0.970 48.227 ( -0.009 0.366 -0.898) 0.970 50.257 ( 0.068 -0.815 30.801) 30.812 50.257 ( 0.068 0.815 30.801) 30.812 53.217 ( -5.794 -10.595 -62.057) 63.221 53.217 ( -5.794 10.595 -62.057) 63.221 85.290 ( -0.385 -1.132 1.193) 1.690 85.290 ( -0.385 1.132 1.193) 1.690 85.332 ( 1.291 -1.689 3.446) 4.049 85.332 ( 1.291 1.689 3.446) 4.049 85.695 ( 0.892 -2.201 9.922) 10.202 85.695 ( 0.892 2.201 9.922) 10.202 85.892 ( -1.436 -10.241 10.298) 14.594 85.892 ( -1.436 10.241 10.298) 14.594 86.381 ( -0.496 -1.410 0.381) 1.542 86.381 ( -0.496 1.410 0.381) 1.542 86.436 ( -0.874 -0.792 -1.973) 2.299 86.436 ( -0.874 0.792 -1.973) 2.299 86.797 ( -0.708 -1.208 6.865) 7.006 86.797 ( -0.708 1.208 6.865) 7.006 87.091 ( -3.794 -10.500 3.157) 11.602 87.091 ( -3.794 10.500 3.157) 11.602 ======================= Grid point 64 (27/36) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 0.000 -0.070) 0.070 0.827 ( 0.000 0.000 -0.070) 0.070 0.975 ( 0.000 0.000 8.324) 8.324 0.975 ( 0.000 0.000 8.324) 8.324 1.011 ( 0.000 -0.000 7.646) 7.646 1.011 ( 0.000 0.000 7.646) 7.646 1.149 ( 0.000 -0.000 2.043) 2.043 1.149 ( 0.000 0.000 2.043) 2.043 1.235 ( 0.000 0.000 10.919) 10.919 1.235 ( 0.000 0.000 10.919) 10.919 1.401 ( 0.000 0.000 2.985) 2.985 1.401 ( 0.000 0.000 2.985) 2.985 1.457 ( 0.000 0.000 -4.528) 4.528 1.457 ( -0.000 0.000 -4.528) 4.528 1.480 ( -0.000 0.000 4.066) 4.066 1.480 ( 0.000 0.000 4.066) 4.066 1.571 ( 0.000 0.000 4.889) 4.889 1.571 ( 0.000 0.000 4.889) 4.889 1.704 ( 0.000 0.000 -0.504) 0.504 1.704 ( 0.000 0.000 -0.504) 0.504 1.737 ( 0.000 0.000 6.516) 6.516 1.737 ( 0.000 0.000 6.516) 6.516 1.831 ( 0.000 0.000 -4.644) 4.644 1.831 ( 0.000 0.000 -4.644) 4.644 1.900 ( 0.000 0.000 -1.375) 1.375 1.900 ( 0.000 0.000 -1.375) 1.375 1.976 ( 0.000 0.000 0.033) 0.033 1.976 ( 0.000 0.000 0.033) 0.033 1.995 ( -0.000 0.000 -1.749) 1.749 1.995 ( 0.000 0.000 -1.749) 1.749 2.038 ( 0.000 0.000 2.113) 2.113 2.038 ( 0.000 0.000 2.113) 2.113 2.085 ( 0.000 0.000 -1.803) 1.803 2.085 ( 0.000 0.000 -1.803) 1.803 2.130 ( 0.000 0.000 0.788) 0.788 2.130 ( 0.000 0.000 0.788) 0.788 2.161 ( -0.000 -0.000 -0.534) 0.534 2.161 ( 0.000 -0.000 -0.534) 0.534 2.247 ( -0.000 0.000 2.966) 2.966 2.247 ( 0.000 0.000 2.966) 2.966 2.274 ( -0.000 -0.000 2.482) 2.482 2.274 ( 0.000 0.000 2.482) 2.482 2.362 ( 0.000 0.000 1.481) 1.481 2.362 ( 0.000 0.000 1.481) 1.481 2.420 ( 0.000 0.000 2.675) 2.675 2.420 ( 0.000 0.000 2.675) 2.675 2.526 ( 0.000 0.000 1.038) 1.038 2.526 ( -0.000 0.000 1.038) 1.038 2.540 ( 0.000 -0.000 3.032) 3.032 2.540 ( -0.000 -0.000 3.032) 3.032 2.623 ( 0.000 -0.000 -3.311) 3.311 2.623 ( 0.000 0.000 -3.311) 3.311 2.668 ( -0.000 -0.000 -3.035) 3.035 2.668 ( 0.000 0.000 -3.035) 3.035 2.804 ( 0.000 0.000 -0.369) 0.369 2.804 ( 0.000 0.000 -0.369) 0.369 2.869 ( 0.000 0.000 0.922) 0.922 2.869 ( 0.000 0.000 0.922) 0.922 2.883 ( -0.000 0.000 -1.630) 1.630 2.883 ( -0.000 0.000 -1.630) 1.630 3.033 ( 0.000 0.000 2.606) 2.606 3.033 ( 0.000 0.000 2.606) 2.606 3.087 ( 0.000 0.000 4.038) 4.038 3.087 ( 0.000 0.000 4.038) 4.038 3.194 ( 0.000 -0.000 -2.985) 2.985 3.194 ( -0.000 0.000 -2.985) 2.985 3.221 ( 0.000 0.000 5.662) 5.662 3.221 ( 0.000 0.000 5.662) 5.662 3.247 ( 0.000 -0.000 -3.753) 3.753 3.247 ( 0.000 0.000 -3.753) 3.753 3.266 ( 0.000 -0.000 2.710) 2.710 3.266 ( -0.000 0.000 2.710) 2.710 3.309 ( 0.000 -0.000 6.747) 6.747 3.309 ( -0.000 0.000 6.747) 6.747 3.364 ( 0.000 -0.000 -1.284) 1.284 3.364 ( 0.000 -0.000 -1.284) 1.284 3.374 ( 0.000 0.000 2.193) 2.193 3.374 ( -0.000 0.000 2.193) 2.193 3.508 ( 0.000 -0.000 3.910) 3.910 3.508 ( -0.000 0.000 3.910) 3.910 3.509 ( -0.000 -0.000 1.288) 1.288 3.509 ( 0.000 0.000 1.288) 1.288 3.624 ( 0.000 0.000 5.698) 5.698 3.624 ( 0.000 0.000 5.698) 5.698 3.636 ( 0.000 -0.000 2.843) 2.843 3.636 ( 0.000 0.000 2.843) 2.843 3.689 ( 0.000 -0.000 0.750) 0.750 3.689 ( 0.000 0.000 0.750) 0.750 3.777 ( 0.000 0.000 -0.085) 0.085 3.777 ( 0.000 0.000 -0.085) 0.085 3.894 ( 0.000 0.000 -4.753) 4.753 3.894 ( 0.000 0.000 -4.753) 4.753 3.986 ( 0.000 0.000 -0.152) 0.152 3.986 ( 0.000 0.000 -0.152) 0.152 4.031 ( 0.000 0.000 -5.488) 5.488 4.031 ( 0.000 0.000 -5.488) 5.488 4.106 ( -0.000 0.000 -5.239) 5.239 4.106 ( 0.000 0.000 -5.239) 5.239 4.148 ( -0.000 0.000 -2.961) 2.961 4.148 ( 0.000 0.000 -2.961) 2.961 4.226 ( 0.000 -0.000 -1.672) 1.672 4.226 ( -0.000 0.000 -1.672) 1.672 4.303 ( 0.000 0.000 -6.989) 6.989 4.303 ( 0.000 0.000 -6.989) 6.989 4.551 ( 0.000 0.000 -1.814) 1.814 4.551 ( 0.000 0.000 -1.814) 1.814 4.642 ( 0.000 0.000 -7.350) 7.350 4.642 ( 0.000 0.000 -7.350) 7.350 4.841 ( 0.000 -0.000 0.483) 0.483 4.841 ( 0.000 0.000 0.483) 0.483 4.850 ( 0.000 -0.000 1.468) 1.468 4.850 ( 0.000 0.000 1.468) 1.468 4.940 ( 0.000 -0.000 0.719) 0.719 4.940 ( -0.000 0.000 0.719) 0.719 4.949 ( -0.000 -0.000 0.449) 0.449 4.949 ( 0.000 0.000 0.449) 0.449 5.049 ( 0.000 0.000 -1.946) 1.946 5.049 ( 0.000 0.000 -1.946) 1.946 5.135 ( 0.000 0.000 -2.833) 2.833 5.135 ( 0.000 0.000 -2.833) 2.833 5.423 ( 0.000 -0.000 4.123) 4.123 5.423 ( 0.000 0.000 4.123) 4.123 5.465 ( 0.000 0.000 6.275) 6.275 5.465 ( 0.000 0.000 6.275) 6.275 5.688 ( 0.000 0.000 -3.248) 3.248 5.688 ( 0.000 0.000 -3.248) 3.248 5.844 ( 0.000 0.000 0.820) 0.820 5.844 ( -0.000 0.000 0.820) 0.820 5.922 ( 0.000 0.000 -6.244) 6.244 5.922 ( 0.000 0.000 -6.244) 6.244 6.008 ( 0.000 0.000 0.676) 0.676 6.008 ( 0.000 0.000 0.676) 0.676 6.199 ( -0.000 0.000 -12.300) 12.300 6.199 ( 0.000 0.000 -12.300) 12.300 6.259 ( 0.000 0.000 -5.153) 5.153 6.259 ( 0.000 0.000 -5.153) 5.153 10.294 ( -0.000 0.000 4.147) 4.147 10.294 ( 0.000 0.000 4.147) 4.147 10.294 ( -0.000 -0.000 3.457) 3.457 10.294 ( 0.000 -0.000 3.457) 3.457 10.353 ( 0.000 0.000 0.914) 0.914 10.353 ( 0.000 0.000 0.914) 0.914 10.438 ( 0.000 0.000 1.473) 1.473 10.438 ( 0.000 0.000 1.473) 1.473 10.670 ( 0.000 0.000 3.957) 3.957 10.670 ( 0.000 0.000 3.957) 3.957 10.891 ( 0.000 0.000 -2.420) 2.420 10.891 ( 0.000 0.000 -2.420) 2.420 10.934 ( -0.000 -0.000 7.920) 7.920 10.934 ( -0.000 0.000 7.920) 7.920 11.062 ( 0.000 0.000 3.287) 3.287 11.062 ( 0.000 0.000 3.287) 3.287 18.969 ( 0.000 0.000 0.626) 0.626 18.969 ( 0.000 0.000 0.626) 0.626 19.012 ( 0.000 0.000 -0.700) 0.700 19.012 ( 0.000 0.000 -0.700) 0.700 27.156 ( -0.000 -0.000 5.329) 5.329 27.156 ( 0.000 0.000 5.329) 5.329 27.175 ( 0.000 -0.000 4.504) 4.504 27.175 ( -0.000 0.000 4.504) 4.504 27.445 ( -0.000 -0.000 -1.687) 1.687 27.445 ( 0.000 0.000 -1.687) 1.687 27.445 ( -0.000 -0.000 -1.743) 1.743 27.445 ( 0.000 0.000 -1.743) 1.743 29.262 ( 0.000 0.000 0.905) 0.905 29.262 ( 0.000 0.000 0.905) 0.905 29.292 ( 0.000 0.000 0.889) 0.889 29.292 ( 0.000 0.000 0.889) 0.889 29.345 ( 0.000 0.000 0.073) 0.073 29.345 ( 0.000 0.000 0.073) 0.073 29.434 ( 0.000 0.000 -3.572) 3.572 29.434 ( 0.000 0.000 -3.572) 3.572 30.745 ( 0.000 0.000 0.890) 0.890 30.745 ( 0.000 0.000 0.890) 0.890 30.760 ( -0.000 0.000 -0.075) 0.075 30.760 ( 0.000 0.000 -0.075) 0.075 30.852 ( -0.000 0.000 0.008) 0.008 30.852 ( 0.000 -0.000 0.008) 0.008 30.856 ( -0.000 0.000 -0.516) 0.516 30.856 ( 0.000 0.000 -0.516) 0.516 35.269 ( 0.000 0.000 12.412) 12.412 35.269 ( 0.000 0.000 12.412) 12.412 35.992 ( 0.000 0.000 -8.335) 8.335 35.992 ( 0.000 0.000 -8.335) 8.335 36.774 ( 0.000 0.000 2.417) 2.417 36.774 ( 0.000 0.000 2.417) 2.417 36.984 ( 0.000 0.000 -3.741) 3.741 36.984 ( 0.000 0.000 -3.741) 3.741 48.096 ( 0.000 0.000 0.306) 0.306 48.096 ( 0.000 0.000 0.306) 0.306 48.137 ( 0.000 0.000 -0.723) 0.723 48.137 ( 0.000 0.000 -0.723) 0.723 48.156 ( -0.000 0.000 0.965) 0.965 48.156 ( 0.000 0.000 0.965) 0.965 48.227 ( 0.000 0.000 -0.913) 0.913 48.227 ( 0.000 0.000 -0.913) 0.913 50.258 ( 0.000 0.000 30.664) 30.664 50.258 ( 0.000 0.000 30.664) 30.664 53.143 ( 0.000 0.000 -56.864) 56.864 53.143 ( 0.000 0.000 -56.864) 56.864 85.286 ( 0.000 0.000 0.834) 0.834 85.286 ( 0.000 0.000 0.834) 0.834 85.348 ( 0.000 0.000 4.129) 4.129 85.348 ( 0.000 0.000 4.129) 4.129 85.708 ( 0.000 0.000 6.463) 6.463 85.708 ( 0.000 0.000 6.463) 6.463 85.871 ( 0.000 0.000 15.290) 15.290 85.871 ( 0.000 0.000 15.290) 15.290 86.382 ( 0.000 0.000 1.357) 1.357 86.382 ( 0.000 0.000 1.357) 1.357 86.416 ( 0.000 -0.000 -1.934) 1.934 86.416 ( 0.000 0.000 -1.934) 1.934 86.789 ( 0.000 0.000 5.129) 5.129 86.789 ( 0.000 0.000 5.129) 5.129 87.043 ( 0.000 0.000 3.617) 3.617 87.043 ( 0.000 0.000 3.617) 3.617 ======================= Grid point 75 (28/36) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.000 0.000 4.373) 4.373 0.730 ( 0.000 0.000 2.397) 2.397 0.966 ( 0.000 0.000 6.379) 6.379 1.014 ( 0.000 0.000 0.950) 0.950 1.073 ( 0.000 0.000 9.744) 9.744 1.150 ( 0.000 0.000 0.726) 0.726 1.189 ( 0.000 0.000 -0.213) 0.213 1.254 ( 0.000 0.000 -5.170) 5.170 1.328 ( 0.000 0.000 -1.219) 1.219 1.347 ( 0.000 0.000 -2.640) 2.640 1.389 ( 0.000 0.000 -2.043) 2.043 1.423 ( 0.000 0.000 10.572) 10.572 1.429 ( 0.000 0.000 -1.367) 1.367 1.494 ( 0.000 0.000 5.289) 5.289 1.531 ( 0.000 0.000 -0.393) 0.393 1.537 ( 0.000 0.000 8.551) 8.551 1.589 ( 0.000 0.000 -4.456) 4.456 1.660 ( 0.000 0.000 -0.102) 0.102 1.673 ( 0.000 0.000 -1.695) 1.695 1.706 ( 0.000 0.000 -7.264) 7.264 1.765 ( 0.000 0.000 5.117) 5.117 1.794 ( 0.000 0.000 0.277) 0.277 1.808 ( 0.000 0.000 2.290) 2.290 1.863 ( 0.000 0.000 -1.742) 1.742 1.913 ( 0.000 0.000 -0.968) 0.968 1.917 ( 0.000 0.000 -1.747) 1.747 1.922 ( 0.000 0.000 2.909) 2.909 1.932 ( 0.000 0.000 -0.755) 0.755 1.936 ( 0.000 0.000 0.347) 0.347 1.973 ( 0.000 0.000 -2.210) 2.210 1.995 ( 0.000 0.000 -1.475) 1.475 2.024 ( 0.000 0.000 -7.405) 7.405 2.045 ( 0.000 0.000 9.630) 9.630 2.135 ( 0.000 0.000 1.499) 1.499 2.162 ( 0.000 0.000 -0.563) 0.563 2.202 ( 0.000 0.000 -3.918) 3.918 2.230 ( 0.000 0.000 17.510) 17.510 2.285 ( 0.000 0.000 6.942) 6.942 2.319 ( 0.000 0.000 3.096) 3.096 2.331 ( 0.000 0.000 -2.511) 2.511 2.341 ( 0.000 0.000 -0.435) 0.435 2.351 ( 0.000 0.000 3.322) 3.322 2.400 ( 0.000 0.000 1.158) 1.158 2.415 ( 0.000 0.000 0.372) 0.372 2.453 ( 0.000 0.000 4.391) 4.391 2.471 ( 0.000 0.000 -6.244) 6.244 2.489 ( 0.000 0.000 -6.435) 6.435 2.584 ( 0.000 0.000 3.038) 3.038 2.609 ( 0.000 0.000 2.030) 2.030 2.636 ( 0.000 0.000 -0.722) 0.722 2.648 ( 0.000 0.000 -0.944) 0.944 2.654 ( 0.000 0.000 -2.439) 2.439 2.667 ( 0.000 0.000 0.598) 0.598 2.708 ( 0.000 0.000 0.777) 0.777 2.742 ( 0.000 0.000 -15.719) 15.719 2.782 ( 0.000 0.000 -4.901) 4.901 2.868 ( 0.000 0.000 5.035) 5.035 2.876 ( 0.000 0.000 4.782) 4.782 2.949 ( 0.000 0.000 4.248) 4.248 2.952 ( 0.000 0.000 -1.774) 1.774 2.960 ( 0.000 0.000 -3.841) 3.841 2.993 ( 0.000 0.000 2.750) 2.750 3.019 ( 0.000 0.000 -2.602) 2.602 3.052 ( 0.000 0.000 5.758) 5.758 3.054 ( 0.000 0.000 -3.122) 3.122 3.090 ( 0.000 0.000 0.837) 0.837 3.109 ( 0.000 0.000 0.097) 0.097 3.148 ( 0.000 0.000 -2.749) 2.749 3.207 ( 0.000 0.000 1.218) 1.218 3.247 ( 0.000 0.000 -2.773) 2.773 3.349 ( 0.000 0.000 4.545) 4.545 3.356 ( 0.000 0.000 5.797) 5.797 3.368 ( 0.000 0.000 2.124) 2.124 3.378 ( 0.000 0.000 0.409) 0.409 3.397 ( 0.000 0.000 1.462) 1.462 3.402 ( 0.000 0.000 5.435) 5.435 3.426 ( 0.000 0.000 -0.556) 0.556 3.492 ( 0.000 0.000 -2.947) 2.947 3.509 ( 0.000 0.000 2.783) 2.783 3.567 ( 0.000 0.000 -2.085) 2.085 3.576 ( 0.000 0.000 3.338) 3.338 3.615 ( 0.000 0.000 0.714) 0.714 3.685 ( 0.000 0.000 5.432) 5.432 3.687 ( 0.000 0.000 1.198) 1.198 3.702 ( 0.000 0.000 -1.638) 1.638 3.726 ( 0.000 0.000 2.992) 2.992 3.729 ( 0.000 0.000 -0.139) 0.139 3.730 ( 0.000 0.000 2.712) 2.712 3.745 ( 0.000 0.000 8.459) 8.459 3.770 ( 0.000 0.000 2.205) 2.205 3.885 ( 0.000 0.000 -7.759) 7.759 3.901 ( 0.000 0.000 4.312) 4.312 3.912 ( 0.000 0.000 -8.215) 8.215 3.934 ( 0.000 0.000 1.170) 1.170 3.981 ( 0.000 0.000 -1.619) 1.619 3.995 ( 0.000 0.000 -4.103) 4.103 4.027 ( 0.000 0.000 -3.939) 3.939 4.028 ( 0.000 0.000 2.711) 2.711 4.036 ( 0.000 0.000 -3.318) 3.318 4.084 ( 0.000 0.000 -2.877) 2.877 4.104 ( 0.000 0.000 -2.396) 2.396 4.116 ( 0.000 0.000 -4.262) 4.262 4.146 ( 0.000 0.000 -1.489) 1.489 4.186 ( 0.000 0.000 -5.606) 5.606 4.498 ( 0.000 0.000 1.081) 1.081 4.509 ( 0.000 0.000 0.220) 0.220 4.533 ( 0.000 0.000 -2.030) 2.030 4.557 ( 0.000 0.000 -4.661) 4.661 4.817 ( 0.000 0.000 2.418) 2.418 4.875 ( 0.000 0.000 2.927) 2.927 4.875 ( 0.000 0.000 -2.531) 2.531 4.935 ( 0.000 0.000 -3.071) 3.071 4.943 ( 0.000 0.000 4.588) 4.588 4.959 ( 0.000 0.000 3.174) 3.174 4.982 ( 0.000 0.000 4.284) 4.284 4.990 ( 0.000 0.000 3.760) 3.760 5.012 ( 0.000 0.000 -2.641) 2.641 5.029 ( 0.000 0.000 -3.462) 3.462 5.103 ( 0.000 0.000 -6.314) 6.314 5.143 ( 0.000 0.000 -10.082) 10.082 5.470 ( 0.000 0.000 3.197) 3.197 5.493 ( 0.000 0.000 3.541) 3.541 5.541 ( 0.000 0.000 -0.930) 0.930 5.593 ( 0.000 0.000 -3.864) 3.864 5.596 ( 0.000 0.000 7.713) 7.713 5.669 ( 0.000 0.000 10.317) 10.317 5.750 ( 0.000 0.000 -7.250) 7.250 5.814 ( 0.000 0.000 1.483) 1.483 5.830 ( 0.000 0.000 0.889) 0.889 5.852 ( 0.000 0.000 -6.280) 6.280 5.866 ( 0.000 0.000 -3.097) 3.097 5.879 ( 0.000 0.000 -3.372) 3.372 5.955 ( 0.000 0.000 1.325) 1.325 6.044 ( 0.000 0.000 -6.054) 6.054 6.310 ( 0.000 0.000 1.034) 1.034 6.376 ( 0.000 0.000 -5.202) 5.202 10.293 ( 0.000 0.000 2.524) 2.524 10.322 ( 0.000 0.000 -0.398) 0.398 10.351 ( 0.000 0.000 1.929) 1.929 10.374 ( 0.000 0.000 -0.230) 0.230 10.380 ( 0.000 0.000 3.444) 3.444 10.425 ( 0.000 0.000 3.962) 3.962 10.434 ( 0.000 0.000 -1.705) 1.705 10.485 ( 0.000 0.000 -1.907) 1.907 10.711 ( 0.000 0.000 3.015) 3.015 10.755 ( 0.000 0.000 4.350) 4.350 10.762 ( 0.000 0.000 -1.904) 1.904 10.837 ( 0.000 0.000 -3.511) 3.511 11.062 ( 0.000 0.000 3.674) 3.674 11.084 ( 0.000 0.000 1.412) 1.412 11.127 ( 0.000 0.000 4.722) 4.722 11.247 ( 0.000 0.000 -6.185) 6.185 18.983 ( 0.000 0.000 0.891) 0.891 18.987 ( 0.000 0.000 0.631) 0.631 19.001 ( 0.000 0.000 -0.778) 0.778 19.002 ( 0.000 0.000 -0.904) 0.904 27.200 ( 0.000 0.000 5.034) 5.034 27.218 ( 0.000 0.000 3.253) 3.253 27.225 ( 0.000 0.000 2.855) 2.855 27.293 ( 0.000 0.000 -3.978) 3.978 27.387 ( 0.000 0.000 -1.173) 1.173 27.405 ( 0.000 0.000 -2.523) 2.523 27.469 ( 0.000 0.000 0.610) 0.610 27.484 ( 0.000 0.000 -0.721) 0.721 29.266 ( 0.000 0.000 0.484) 0.484 29.277 ( 0.000 0.000 -0.544) 0.544 29.278 ( 0.000 0.000 0.694) 0.694 29.292 ( 0.000 0.000 -0.656) 0.656 29.337 ( 0.000 0.000 0.620) 0.620 29.347 ( 0.000 0.000 -0.318) 0.318 29.356 ( 0.000 0.000 3.841) 3.841 29.447 ( 0.000 0.000 -5.019) 5.019 30.714 ( 0.000 0.000 1.163) 1.163 30.730 ( 0.000 0.000 0.849) 0.849 30.742 ( 0.000 0.000 -1.490) 1.490 30.753 ( 0.000 0.000 -1.384) 1.384 30.835 ( 0.000 0.000 0.998) 0.998 30.854 ( 0.000 0.000 -0.830) 0.830 30.890 ( 0.000 0.000 2.047) 2.047 30.922 ( 0.000 0.000 -0.992) 0.992 35.521 ( 0.000 0.000 13.192) 13.192 35.562 ( 0.000 0.000 12.034) 12.034 35.778 ( 0.000 0.000 -11.578) 11.578 35.801 ( 0.000 0.000 -11.042) 11.042 36.827 ( 0.000 0.000 3.215) 3.215 36.836 ( 0.000 0.000 3.129) 3.129 36.895 ( 0.000 0.000 -3.263) 3.263 36.906 ( 0.000 0.000 -3.736) 3.736 48.097 ( 0.000 0.000 0.693) 0.693 48.108 ( 0.000 0.000 0.462) 0.462 48.111 ( 0.000 0.000 -0.525) 0.525 48.119 ( 0.000 0.000 -0.658) 0.658 48.175 ( 0.000 0.000 1.410) 1.410 48.193 ( 0.000 0.000 0.694) 0.694 48.200 ( 0.000 0.000 -0.983) 0.983 48.213 ( 0.000 0.000 -1.306) 1.306 50.914 ( 0.000 0.000 37.883) 37.883 51.089 ( 0.000 0.000 46.690) 46.690 51.731 ( 0.000 0.000 -40.793) 40.793 52.168 ( 0.000 0.000 -58.148) 58.148 85.273 ( 0.000 0.000 0.844) 0.844 85.276 ( 0.000 0.000 0.533) 0.533 85.407 ( 0.000 0.000 2.096) 2.096 85.410 ( 0.000 0.000 1.954) 1.954 85.739 ( 0.000 0.000 3.656) 3.656 85.754 ( 0.000 0.000 2.038) 2.038 86.069 ( 0.000 0.000 14.496) 14.496 86.320 ( 0.000 0.000 -8.130) 8.130 86.355 ( 0.000 0.000 2.440) 2.440 86.393 ( 0.000 0.000 -2.601) 2.601 86.402 ( 0.000 0.000 -2.124) 2.124 86.403 ( 0.000 0.000 -1.801) 1.801 86.817 ( 0.000 0.000 3.954) 3.954 86.842 ( 0.000 0.000 1.275) 1.275 87.107 ( 0.000 0.000 13.959) 13.959 87.392 ( 0.000 0.000 -13.563) 13.563 ======================= Grid point 76 (29/36) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 5.215 0.000 3.843) 6.478 0.813 ( 6.826 0.000 0.245) 6.830 0.971 ( -2.279 0.000 9.344) 9.618 1.027 ( -0.411 0.000 3.452) 3.476 1.029 ( 0.366 0.000 6.611) 6.621 1.135 ( 0.338 0.000 -5.411) 5.422 1.223 ( 2.232 0.000 0.537) 2.295 1.243 ( -1.491 0.000 -2.257) 2.705 1.300 ( -2.680 0.000 3.368) 4.304 1.353 ( 1.589 0.000 -2.256) 2.760 1.374 ( -2.279 0.000 9.160) 9.439 1.462 ( 1.685 0.000 0.579) 1.781 1.478 ( 3.366 0.000 -1.287) 3.604 1.527 ( -0.840 0.000 1.942) 2.116 1.531 ( 1.163 0.000 4.404) 4.555 1.553 ( -4.519 0.000 -6.666) 8.053 1.554 ( 5.625 0.000 3.187) 6.466 1.660 ( 2.886 0.000 0.030) 2.887 1.668 ( -2.782 0.000 -4.899) 5.634 1.679 ( 1.053 0.000 -0.576) 1.201 1.785 ( -1.843 0.000 -1.060) 2.126 1.795 ( 1.664 0.000 1.298) 2.111 1.809 ( -1.945 0.000 2.453) 3.130 1.836 ( -4.239 0.000 -1.632) 4.543 1.846 ( -2.821 0.000 -1.519) 3.204 1.866 ( 0.461 0.000 -0.169) 0.491 1.915 ( -0.458 0.000 -0.436) 0.632 1.921 ( 0.239 0.000 -0.669) 0.711 1.975 ( 0.689 0.000 -0.486) 0.843 1.987 ( 0.038 0.000 1.906) 1.906 2.008 ( -1.467 0.000 1.576) 2.153 2.048 ( 2.857 0.000 4.268) 5.136 2.067 ( 0.308 0.000 -4.868) 4.877 2.115 ( 0.315 0.000 -0.981) 1.030 2.186 ( 2.273 0.000 3.695) 4.339 2.204 ( -2.672 0.000 12.077) 12.369 2.229 ( 2.228 0.000 -0.086) 2.230 2.272 ( -1.655 0.000 8.494) 8.653 2.279 ( -5.661 0.000 -1.415) 5.835 2.297 ( -1.675 0.000 1.223) 2.074 2.327 ( 0.729 0.000 -0.130) 0.741 2.355 ( 0.754 0.000 0.816) 1.111 2.363 ( -2.590 0.000 -1.104) 2.816 2.379 ( -2.980 0.000 3.209) 4.379 2.390 ( -1.616 0.000 0.954) 1.877 2.447 ( -3.156 0.000 0.778) 3.251 2.513 ( 1.261 0.000 -4.527) 4.699 2.573 ( 1.360 0.000 2.515) 2.859 2.588 ( -1.556 0.000 -1.212) 1.972 2.666 ( 2.442 0.000 -6.401) 6.851 2.666 ( -0.589 0.000 0.528) 0.791 2.693 ( 1.593 0.000 1.777) 2.387 2.698 ( 0.088 0.000 -3.956) 3.957 2.747 ( 0.809 0.000 -5.652) 5.710 2.787 ( 6.117 0.000 -1.513) 6.302 2.794 ( 3.840 0.000 -3.015) 4.882 2.834 ( -2.988 0.000 2.944) 4.195 2.904 ( -3.738 0.000 -3.614) 5.200 2.912 ( 2.003 0.000 3.817) 4.310 2.925 ( -0.684 0.000 2.847) 2.928 2.960 ( -1.196 0.000 -0.854) 1.469 2.975 ( -0.526 0.000 -1.969) 2.038 3.017 ( -1.953 0.000 2.813) 3.424 3.022 ( -1.228 0.000 1.754) 2.141 3.098 ( 3.590 0.000 -0.843) 3.687 3.101 ( 3.846 0.000 -0.708) 3.911 3.188 ( 4.552 0.000 2.380) 5.137 3.198 ( 0.306 0.000 0.523) 0.606 3.243 ( 3.942 0.000 0.171) 3.946 3.253 ( -0.169 0.000 -1.786) 1.794 3.330 ( -1.687 0.000 2.609) 3.107 3.344 ( 0.448 0.000 2.620) 2.658 3.348 ( -2.019 0.000 2.253) 3.025 3.376 ( -0.011 0.000 1.996) 1.996 3.405 ( 1.729 0.000 3.149) 3.592 3.421 ( 0.528 0.000 2.272) 2.332 3.449 ( 2.106 0.000 -0.846) 2.270 3.474 ( -2.166 0.000 -1.361) 2.558 3.503 ( -0.952 0.000 3.129) 3.270 3.550 ( -1.655 0.000 -1.787) 2.435 3.582 ( 1.300 0.000 2.159) 2.520 3.618 ( 0.352 0.000 0.715) 0.797 3.646 ( -1.285 0.000 2.791) 3.072 3.683 ( -1.735 0.000 -1.820) 2.515 3.713 ( 0.072 0.000 3.168) 3.169 3.719 ( 0.050 0.000 4.083) 4.084 3.741 ( -0.202 0.000 7.252) 7.255 3.744 ( 1.050 0.000 2.603) 2.807 3.760 ( 2.035 0.000 1.821) 2.730 3.775 ( 0.784 0.000 1.031) 1.295 3.836 ( -3.168 0.000 -3.013) 4.372 3.866 ( -2.196 0.000 0.402) 2.232 3.921 ( -1.460 0.000 -4.291) 4.533 3.933 ( 0.272 0.000 -3.241) 3.253 3.950 ( -1.852 0.000 -4.128) 4.525 3.975 ( -3.067 0.000 -3.452) 4.617 3.999 ( -0.271 0.000 0.425) 0.504 4.015 ( 1.566 0.000 -1.068) 1.895 4.049 ( -0.581 0.000 -0.975) 1.135 4.094 ( -1.730 0.000 -4.863) 5.162 4.117 ( 1.465 0.000 -1.830) 2.344 4.151 ( 0.256 0.000 -0.821) 0.860 4.157 ( 3.771 0.000 -6.043) 7.124 4.202 ( 0.933 0.000 -5.626) 5.703 4.511 ( 1.249 0.000 0.511) 1.349 4.514 ( 0.495 0.000 0.045) 0.497 4.535 ( -0.026 0.000 -1.585) 1.586 4.554 ( -0.299 0.000 -4.065) 4.076 4.814 ( 0.471 0.000 3.029) 3.066 4.879 ( 0.630 0.000 -2.620) 2.694 4.893 ( 0.155 0.000 3.358) 3.362 4.919 ( -0.939 0.000 2.455) 2.628 4.941 ( -0.047 0.000 -0.267) 0.271 4.961 ( 0.424 0.000 -1.114) 1.191 4.968 ( -1.111 0.000 2.827) 3.037 4.987 ( -0.190 0.000 3.319) 3.324 5.014 ( 0.079 0.000 -1.566) 1.568 5.052 ( 1.678 0.000 -2.639) 3.127 5.081 ( -4.354 0.000 -4.720) 6.422 5.099 ( -0.393 0.000 -5.451) 5.465 5.504 ( 2.958 0.000 3.543) 4.615 5.538 ( 2.368 0.000 1.813) 2.983 5.556 ( 1.542 0.000 -1.621) 2.238 5.580 ( -0.382 0.000 1.633) 1.677 5.600 ( -0.293 0.000 2.774) 2.790 5.645 ( -2.185 0.000 9.304) 9.557 5.742 ( 0.085 0.000 -7.529) 7.529 5.823 ( -1.517 0.000 -6.595) 6.767 5.830 ( 1.430 0.000 0.745) 1.612 5.848 ( 0.255 0.000 -1.009) 1.041 5.862 ( -0.280 0.000 -0.730) 0.782 5.882 ( -0.140 0.000 -2.506) 2.510 6.023 ( 5.888 0.000 -0.456) 5.905 6.074 ( 3.148 0.000 -4.793) 5.734 6.268 ( -3.849 0.000 0.185) 3.854 6.316 ( -5.439 0.000 -4.408) 7.001 10.312 ( 1.604 0.000 2.128) 2.665 10.332 ( 0.831 0.000 0.105) 0.838 10.355 ( 0.199 0.000 1.763) 1.774 10.369 ( -0.560 0.000 1.353) 1.465 10.384 ( 0.422 0.000 1.960) 2.005 10.415 ( -0.794 0.000 3.451) 3.542 10.430 ( -0.221 0.000 -1.565) 1.581 10.467 ( -1.519 0.000 -1.529) 2.156 10.718 ( 0.612 0.000 3.312) 3.368 10.751 ( -0.479 0.000 4.312) 4.339 10.774 ( 1.138 0.000 -2.122) 2.408 10.832 ( -0.716 0.000 -3.426) 3.500 11.071 ( 1.071 0.000 3.106) 3.285 11.084 ( 0.156 0.000 1.528) 1.536 11.116 ( -0.973 0.000 3.751) 3.875 11.199 ( -3.990 0.000 -3.500) 5.308 18.983 ( 0.051 0.000 0.845) 0.846 18.987 ( -0.065 0.000 0.660) 0.663 19.000 ( -0.005 0.000 -0.773) 0.773 19.002 ( -0.052 0.000 -0.865) 0.867 27.206 ( 0.573 0.000 4.950) 4.983 27.225 ( -0.060 0.000 3.525) 3.525 27.237 ( 1.728 0.000 2.573) 3.100 27.294 ( -0.077 0.000 -3.364) 3.364 27.396 ( 0.868 0.000 -1.564) 1.788 27.399 ( -0.374 0.000 -2.033) 2.067 27.440 ( -2.338 0.000 1.084) 2.577 27.465 ( -1.672 0.000 -1.167) 2.039 29.274 ( 0.689 0.000 0.905) 1.138 29.283 ( 0.407 0.000 0.500) 0.645 29.290 ( 0.809 0.000 -0.621) 1.020 29.295 ( 0.278 0.000 -0.631) 0.690 29.334 ( -0.207 0.000 0.973) 0.995 29.348 ( -0.659 0.000 3.421) 3.483 29.356 ( 1.085 0.000 -1.246) 1.652 29.431 ( -1.416 0.000 -4.650) 4.861 30.728 ( 1.256 0.000 0.920) 1.556 30.735 ( 0.654 0.000 0.504) 0.826 30.754 ( 0.670 0.000 -0.803) 1.046 30.759 ( 0.436 0.000 -1.093) 1.177 30.836 ( 0.381 0.000 0.581) 0.694 30.847 ( -0.440 0.000 -0.443) 0.625 30.876 ( -1.248 0.000 1.634) 2.056 30.903 ( -1.668 0.000 -0.933) 1.912 35.525 ( 0.343 0.000 13.158) 13.163 35.553 ( -0.772 0.000 12.414) 12.438 35.781 ( 0.254 0.000 -11.546) 11.548 35.797 ( -0.381 0.000 -11.176) 11.182 36.829 ( 0.202 0.000 3.269) 3.275 36.835 ( -0.034 0.000 3.209) 3.209 36.900 ( 0.437 0.000 -3.591) 3.618 36.908 ( 0.118 0.000 -3.839) 3.840 48.100 ( 0.250 0.000 0.651) 0.698 48.108 ( -0.055 0.000 0.496) 0.499 48.113 ( 0.190 0.000 -0.522) 0.555 48.119 ( -0.029 0.000 -0.620) 0.621 48.176 ( 0.157 0.000 1.299) 1.308 48.189 ( -0.339 0.000 0.799) 0.868 48.201 ( 0.093 0.000 -1.045) 1.050 48.210 ( -0.258 0.000 -1.274) 1.300 50.939 ( 2.275 0.000 38.965) 39.031 51.062 ( -2.412 0.000 45.191) 45.255 51.788 ( 5.355 0.000 -42.931) 43.264 52.097 ( -6.390 0.000 -55.167) 55.536 85.289 ( 1.509 0.000 0.912) 1.763 85.292 ( 1.457 0.000 0.656) 1.598 85.382 ( -2.107 0.000 1.660) 2.682 85.383 ( -2.266 0.000 1.663) 2.811 85.807 ( 4.634 0.000 3.673) 5.913 85.820 ( 7.349 0.000 2.747) 7.846 86.028 ( -3.818 0.000 12.312) 12.890 86.228 ( -8.367 0.000 -6.448) 10.563 86.362 ( 0.625 0.000 2.201) 2.288 86.392 ( 0.140 0.000 -0.926) 0.936 86.396 ( -0.644 0.000 -0.826) 1.047 86.402 ( -0.101 0.000 -1.754) 1.757 86.845 ( 2.826 0.000 4.936) 5.688 86.903 ( 5.563 0.000 -0.767) 5.616 87.050 ( -4.979 0.000 11.840) 12.845 87.276 ( -9.736 0.000 -9.575) 13.656 ======================= Grid point 77 (30/36) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -5.400 0.000 5.484) 7.696 0.874 ( 5.400 0.000 5.484) 7.696 0.953 ( -5.759 0.000 -0.607) 5.791 0.953 ( 5.759 0.000 -0.607) 5.791 1.128 ( -7.263 0.000 7.134) 10.181 1.128 ( 7.263 0.000 7.134) 10.181 1.206 ( -4.420 0.000 -1.903) 4.813 1.206 ( 4.420 0.000 -1.903) 4.813 1.313 ( -3.088 0.000 4.790) 5.699 1.313 ( 3.088 0.000 4.790) 5.699 1.425 ( -5.492 0.000 -3.789) 6.672 1.425 ( 5.492 0.000 -3.789) 6.672 1.500 ( -1.922 0.000 1.020) 2.176 1.500 ( 1.922 0.000 1.020) 2.176 1.536 ( -1.337 0.000 0.223) 1.356 1.536 ( 1.337 0.000 0.223) 1.356 1.687 ( -4.993 0.000 0.570) 5.026 1.687 ( 4.993 0.000 0.570) 5.026 1.693 ( -4.533 0.000 -1.295) 4.714 1.693 ( 4.533 0.000 -1.295) 4.714 1.747 ( -4.099 0.000 0.788) 4.174 1.747 ( 4.099 0.000 0.788) 4.174 1.756 ( -1.971 0.000 -1.736) 2.626 1.756 ( 1.971 0.000 -1.736) 2.626 1.878 ( -3.038 0.000 -0.422) 3.067 1.878 ( 3.038 0.000 -0.422) 3.067 1.895 ( -1.625 0.000 -1.899) 2.499 1.895 ( 1.625 0.000 -1.899) 2.499 1.996 ( -0.283 0.000 2.105) 2.124 1.996 ( 0.283 0.000 2.105) 2.124 2.017 ( -2.345 0.000 1.839) 2.980 2.017 ( 2.345 0.000 1.839) 2.980 2.134 ( -3.909 0.000 1.355) 4.137 2.134 ( 3.909 0.000 1.355) 4.137 2.158 ( -4.504 0.000 -1.514) 4.752 2.158 ( 4.504 0.000 -1.514) 4.752 2.233 ( -2.332 0.000 8.463) 8.779 2.233 ( 2.332 0.000 8.463) 8.779 2.293 ( -3.425 0.000 -0.521) 3.464 2.293 ( 3.425 0.000 -0.521) 3.464 2.310 ( -2.738 0.000 4.336) 5.128 2.310 ( 2.738 0.000 4.336) 5.128 2.354 ( -0.870 0.000 -0.839) 1.209 2.354 ( 0.870 0.000 -0.839) 1.209 2.392 ( -1.469 0.000 2.808) 3.169 2.392 ( 1.469 0.000 2.808) 3.169 2.548 ( -1.997 0.000 -3.401) 3.944 2.548 ( 1.997 0.000 -3.401) 3.944 2.626 ( -2.832 0.000 1.468) 3.190 2.626 ( 2.832 0.000 1.468) 3.190 2.693 ( -0.826 0.000 -6.589) 6.641 2.693 ( 0.826 0.000 -6.589) 6.641 2.753 ( -3.945 0.000 1.272) 4.145 2.753 ( 3.945 0.000 1.272) 4.145 2.797 ( -4.642 0.000 -2.954) 5.502 2.797 ( 4.642 0.000 -2.954) 5.502 2.884 ( -3.136 0.000 1.129) 3.333 2.884 ( 3.136 0.000 1.129) 3.333 2.910 ( -4.446 0.000 -1.611) 4.729 2.910 ( 4.446 0.000 -1.611) 4.729 2.973 ( -2.602 0.000 2.088) 3.336 2.973 ( 2.602 0.000 2.088) 3.336 2.986 ( -1.992 0.000 0.599) 2.080 2.986 ( 1.992 0.000 0.599) 2.080 3.177 ( -2.437 0.000 0.390) 2.468 3.177 ( 2.437 0.000 0.390) 2.468 3.181 ( -3.876 0.000 0.348) 3.891 3.181 ( 3.876 0.000 0.348) 3.891 3.293 ( -3.310 0.000 2.409) 4.094 3.293 ( 3.310 0.000 2.409) 4.094 3.300 ( -1.984 0.000 2.149) 2.925 3.300 ( 1.984 0.000 2.149) 2.925 3.393 ( -2.987 0.000 0.120) 2.989 3.393 ( 2.987 0.000 0.120) 2.989 3.401 ( -3.089 0.000 0.647) 3.157 3.401 ( 3.089 0.000 0.647) 3.157 3.467 ( -2.416 0.000 2.702) 3.625 3.467 ( 2.416 0.000 2.702) 3.625 3.503 ( -2.689 0.000 -0.977) 2.861 3.503 ( 2.689 0.000 -0.977) 2.861 3.628 ( -2.778 0.000 -0.130) 2.782 3.628 ( 2.778 0.000 -0.130) 2.782 3.630 ( -0.652 0.000 1.365) 1.512 3.630 ( 0.652 0.000 1.365) 1.512 3.731 ( -0.982 0.000 6.280) 6.356 3.731 ( 0.982 0.000 6.280) 6.356 3.736 ( -1.460 0.000 2.385) 2.796 3.736 ( 1.460 0.000 2.385) 2.796 3.787 ( -1.234 0.000 0.110) 1.239 3.787 ( 1.234 0.000 0.110) 1.239 3.815 ( -2.614 0.000 0.423) 2.648 3.815 ( 2.614 0.000 0.423) 2.648 3.920 ( -1.749 0.000 -3.730) 4.120 3.920 ( 1.749 0.000 -3.730) 4.120 3.929 ( -0.382 0.000 -3.331) 3.353 3.929 ( 0.382 0.000 -3.331) 3.353 4.019 ( -1.730 0.000 -1.097) 2.049 4.019 ( 1.730 0.000 -1.097) 2.049 4.054 ( -2.037 0.000 -3.726) 4.246 4.054 ( 2.037 0.000 -3.726) 4.246 4.146 ( -0.932 0.000 -0.680) 1.153 4.146 ( 0.932 0.000 -0.680) 1.153 4.206 ( -0.859 0.000 -6.530) 6.586 4.206 ( 0.859 0.000 -6.530) 6.586 4.527 ( -0.668 0.000 -0.556) 0.869 4.527 ( 0.668 0.000 -0.556) 0.869 4.540 ( -1.171 0.000 -1.982) 2.302 4.540 ( 1.171 0.000 -1.982) 2.302 4.848 ( -2.595 0.000 3.245) 4.155 4.848 ( 2.595 0.000 3.245) 4.155 4.911 ( -2.295 0.000 -1.897) 2.977 4.911 ( 2.295 0.000 -1.897) 2.977 4.940 ( -1.484 0.000 1.806) 2.337 4.940 ( 1.484 0.000 1.806) 2.337 4.978 ( -0.845 0.000 -1.460) 1.686 4.978 ( 0.845 0.000 -1.460) 1.686 5.021 ( -1.105 0.000 1.439) 1.814 5.021 ( 1.105 0.000 1.439) 1.814 5.083 ( -1.197 0.000 -3.717) 3.905 5.083 ( 1.197 0.000 -3.717) 3.905 5.569 ( -0.778 0.000 -0.109) 0.786 5.569 ( 0.778 0.000 -0.109) 0.786 5.570 ( -2.227 0.000 0.910) 2.405 5.570 ( 2.227 0.000 0.910) 2.405 5.596 ( -1.138 0.000 7.731) 7.814 5.596 ( 1.138 0.000 7.731) 7.814 5.775 ( -2.621 0.000 -8.611) 9.001 5.775 ( 2.621 0.000 -8.611) 9.001 5.856 ( -0.358 0.000 -0.051) 0.361 5.856 ( 0.358 0.000 -0.051) 0.361 5.863 ( -1.540 0.000 -0.978) 1.825 5.863 ( 1.540 0.000 -0.978) 1.825 6.168 ( -5.305 0.000 -2.048) 5.686 6.168 ( 5.305 0.000 -2.048) 5.686 6.172 ( -7.810 0.000 -2.541) 8.213 6.172 ( 7.810 0.000 -2.541) 8.213 10.346 ( -1.290 0.000 1.527) 1.999 10.346 ( 1.290 0.000 1.527) 1.999 10.352 ( -0.990 0.000 1.130) 1.502 10.352 ( 0.990 0.000 1.130) 1.502 10.397 ( -0.836 0.000 2.355) 2.499 10.397 ( 0.836 0.000 2.355) 2.499 10.436 ( -1.072 0.000 -1.152) 1.573 10.436 ( 1.072 0.000 -1.152) 1.573 10.735 ( -0.934 0.000 3.930) 4.040 10.735 ( 0.934 0.000 3.930) 4.040 10.805 ( -1.673 0.000 -2.804) 3.266 10.805 ( 1.673 0.000 -2.804) 3.266 11.095 ( -0.878 0.000 2.222) 2.389 11.095 ( 0.878 0.000 2.222) 2.389 11.116 ( -3.367 0.000 0.768) 3.453 11.116 ( 3.367 0.000 0.768) 3.453 18.985 ( -0.082 0.000 0.744) 0.749 18.985 ( 0.082 0.000 0.744) 0.749 19.001 ( -0.034 0.000 -0.798) 0.798 19.001 ( 0.034 0.000 -0.798) 0.798 27.219 ( -0.557 0.000 4.534) 4.568 27.219 ( 0.557 0.000 4.534) 4.568 27.277 ( -1.716 0.000 -0.233) 1.732 27.277 ( 1.716 0.000 -0.233) 1.732 27.401 ( -0.911 0.000 -0.231) 0.940 27.401 ( 0.911 0.000 -0.231) 0.940 27.425 ( -1.880 0.000 -1.784) 2.592 27.425 ( 1.880 0.000 -1.784) 2.592 29.286 ( -0.274 0.000 0.804) 0.849 29.286 ( 0.274 0.000 0.804) 0.849 29.298 ( -0.126 0.000 -0.428) 0.447 29.298 ( 0.126 0.000 -0.428) 0.447 29.335 ( -0.423 0.000 2.173) 2.214 29.335 ( 0.423 0.000 2.173) 2.214 29.393 ( -2.140 0.000 -3.419) 4.033 29.393 ( 2.140 0.000 -3.419) 4.033 30.753 ( -0.741 0.000 0.193) 0.766 30.753 ( 0.741 0.000 0.193) 0.766 30.756 ( -0.995 0.000 -0.022) 0.995 30.756 ( 0.995 0.000 -0.022) 0.995 30.850 ( -0.896 0.000 0.539) 1.046 30.850 ( 0.896 0.000 0.539) 1.046 30.862 ( -2.006 0.000 -0.527) 2.074 30.862 ( 2.006 0.000 -0.527) 2.074 35.536 ( -0.729 0.000 12.945) 12.965 35.536 ( 0.729 0.000 12.945) 12.965 35.788 ( -0.441 0.000 -11.411) 11.419 35.788 ( 0.441 0.000 -11.411) 11.419 36.833 ( -0.170 0.000 3.305) 3.309 36.833 ( 0.170 0.000 3.305) 3.309 36.908 ( -0.183 0.000 -3.914) 3.918 36.908 ( 0.183 0.000 -3.914) 3.918 48.105 ( -0.222 0.000 0.573) 0.614 48.105 ( 0.222 0.000 0.573) 0.614 48.117 ( -0.168 0.000 -0.549) 0.574 48.117 ( 0.168 0.000 -0.549) 0.574 48.182 ( -0.366 0.000 1.043) 1.105 48.182 ( 0.366 0.000 1.043) 1.105 48.205 ( -0.264 0.000 -1.176) 1.205 48.205 ( 0.264 0.000 -1.176) 1.205 51.000 ( -3.306 0.000 41.874) 42.004 51.000 ( 3.306 0.000 41.874) 42.004 51.936 ( -8.270 0.000 -48.629) 49.328 51.936 ( 8.270 0.000 -48.629) 49.328 85.331 ( -2.451 0.000 1.187) 2.723 85.331 ( 2.451 0.000 1.187) 2.723 85.333 ( -2.366 0.000 1.040) 2.584 85.333 ( 2.366 0.000 1.040) 2.584 85.922 ( -5.927 0.000 7.692) 9.711 85.922 ( 5.927 0.000 7.692) 9.711 86.017 ( -10.882 0.000 -0.842) 10.914 86.017 ( 10.882 0.000 -0.842) 10.914 86.379 ( -0.894 0.000 1.037) 1.369 86.379 ( 0.894 0.000 1.037) 1.369 86.397 ( -0.287 0.000 -1.117) 1.154 86.397 ( 0.287 0.000 -1.117) 1.154 86.933 ( -5.473 0.000 7.837) 9.559 86.933 ( 5.473 0.000 7.837) 9.559 87.062 ( -9.587 0.000 -4.204) 10.468 87.062 ( 9.587 0.000 -4.204) 10.468 ======================= Grid point 80 (31/36) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 8.317 3.548) 9.042 0.795 ( 0.000 6.312 3.815) 7.375 1.029 ( 0.000 -3.802 8.838) 9.621 1.041 ( 0.000 5.444 4.770) 7.238 1.054 ( 0.000 3.099 1.790) 3.579 1.127 ( 0.000 -3.105 1.418) 3.414 1.168 ( 0.000 -2.768 -1.402) 3.103 1.199 ( 0.000 -2.684 -5.973) 6.548 1.307 ( 0.000 -1.483 -0.082) 1.485 1.335 ( 0.000 0.581 -0.840) 1.021 1.373 ( 0.000 -2.021 6.264) 6.582 1.445 ( 0.000 1.985 -3.205) 3.770 1.480 ( 0.000 0.929 4.575) 4.668 1.488 ( 0.000 0.556 6.492) 6.516 1.522 ( 0.000 0.946 1.112) 1.460 1.587 ( 0.000 -0.365 -1.969) 2.002 1.593 ( 0.000 3.939 5.087) 6.434 1.670 ( 0.000 0.740 1.519) 1.690 1.701 ( 0.000 2.404 -1.933) 3.085 1.717 ( 0.000 0.836 -5.803) 5.863 1.772 ( 0.000 -3.162 4.368) 5.393 1.791 ( 0.000 3.076 0.542) 3.124 1.803 ( 0.000 0.601 -1.052) 1.212 1.837 ( 0.000 -1.907 -2.721) 3.323 1.852 ( 0.000 -4.314 2.754) 5.118 1.885 ( 0.000 -1.779 -1.183) 2.136 1.902 ( 0.000 -0.567 2.897) 2.952 1.922 ( 0.000 -1.031 -1.000) 1.437 1.937 ( 0.000 -0.597 -1.809) 1.905 1.976 ( 0.000 -0.205 -3.812) 3.817 1.995 ( 0.000 -1.847 -3.406) 3.874 2.027 ( 0.000 -0.118 -6.374) 6.375 2.080 ( 0.000 3.295 5.789) 6.661 2.167 ( 0.000 -1.078 -2.758) 2.962 2.171 ( 0.000 1.796 2.565) 3.131 2.213 ( 0.000 2.158 2.130) 3.033 2.228 ( 0.000 -2.105 7.368) 7.663 2.248 ( 0.000 -3.332 -4.480) 5.584 2.272 ( 0.000 3.101 7.680) 8.283 2.326 ( 0.000 -2.499 4.852) 5.458 2.345 ( 0.000 1.520 3.721) 4.020 2.352 ( 0.000 -1.182 -0.533) 1.297 2.419 ( 0.000 1.283 -3.349) 3.587 2.423 ( 0.000 0.307 7.388) 7.394 2.450 ( 0.000 0.097 2.156) 2.158 2.471 ( 0.000 -0.104 -6.083) 6.083 2.495 ( 0.000 -0.422 -2.936) 2.966 2.515 ( 0.000 -5.227 2.984) 6.019 2.541 ( 0.000 -4.942 -2.827) 5.694 2.632 ( 0.000 4.847 2.555) 5.479 2.653 ( 0.000 -0.134 2.189) 2.194 2.699 ( 0.000 -3.206 9.161) 9.706 2.709 ( 0.000 -0.432 0.227) 0.488 2.722 ( 0.000 2.490 -1.080) 2.714 2.771 ( 0.000 2.909 -13.186) 13.504 2.798 ( 0.000 1.849 -2.601) 3.192 2.851 ( 0.000 3.288 -0.967) 3.427 2.874 ( 0.000 -0.416 4.725) 4.743 2.926 ( 0.000 -3.776 -6.803) 7.780 2.943 ( 0.000 0.297 2.588) 2.604 2.974 ( 0.000 -1.525 2.694) 3.096 2.989 ( 0.000 0.976 -2.525) 2.707 3.002 ( 0.000 -1.491 -1.628) 2.208 3.016 ( 0.000 -2.421 -1.964) 3.117 3.086 ( 0.000 2.825 1.595) 3.244 3.106 ( 0.000 1.251 2.834) 3.098 3.122 ( 0.000 2.236 -1.257) 2.565 3.174 ( 0.000 0.593 -2.704) 2.768 3.217 ( 0.000 1.117 2.208) 2.475 3.261 ( 0.000 1.841 -1.989) 2.710 3.311 ( 0.000 -1.897 3.839) 4.282 3.324 ( 0.000 -2.564 5.099) 5.707 3.356 ( 0.000 -2.411 0.257) 2.424 3.369 ( 0.000 -2.489 3.885) 4.614 3.379 ( 0.000 -1.325 -0.285) 1.355 3.399 ( 0.000 -2.572 1.329) 2.895 3.432 ( 0.000 3.352 3.251) 4.670 3.504 ( 0.000 1.594 -3.076) 3.464 3.511 ( 0.000 -0.239 2.633) 2.644 3.557 ( 0.000 -0.177 -1.601) 1.610 3.627 ( 0.000 3.336 2.485) 4.160 3.634 ( 0.000 1.684 2.211) 2.780 3.674 ( 0.000 -0.178 4.739) 4.742 3.698 ( 0.000 -0.514 3.317) 3.357 3.709 ( 0.000 0.369 -0.910) 0.982 3.711 ( 0.000 -1.251 3.233) 3.467 3.719 ( 0.000 -0.882 3.091) 3.214 3.731 ( 0.000 0.121 -0.101) 0.157 3.761 ( 0.000 2.196 7.124) 7.455 3.810 ( 0.000 4.156 0.186) 4.160 3.873 ( 0.000 -2.566 5.166) 5.768 3.888 ( 0.000 0.424 -7.250) 7.262 3.913 ( 0.000 0.054 -7.798) 7.798 3.936 ( 0.000 -0.265 0.096) 0.282 3.963 ( 0.000 -1.501 -2.597) 2.999 3.977 ( 0.000 -1.348 -4.794) 4.980 4.031 ( 0.000 0.084 1.632) 1.634 4.040 ( 0.000 -0.014 -1.294) 1.295 4.050 ( 0.000 1.773 -3.620) 4.031 4.087 ( 0.000 0.130 -2.908) 2.911 4.112 ( 0.000 0.974 -3.199) 3.344 4.124 ( 0.000 0.695 -4.138) 4.196 4.143 ( 0.000 -0.281 -2.055) 2.074 4.171 ( 0.000 -1.471 -5.473) 5.668 4.502 ( 0.000 0.468 1.188) 1.277 4.513 ( 0.000 0.308 0.820) 0.876 4.538 ( 0.000 0.966 -2.223) 2.424 4.570 ( 0.000 0.746 -4.640) 4.700 4.838 ( 0.000 2.313 2.176) 3.175 4.870 ( 0.000 0.133 1.549) 1.554 4.895 ( 0.000 0.917 1.158) 1.477 4.920 ( 0.000 -0.875 2.712) 2.850 4.953 ( 0.000 1.626 -3.155) 3.549 4.968 ( 0.000 -0.657 3.984) 4.038 4.978 ( 0.000 0.225 2.797) 2.806 4.989 ( 0.000 -0.079 3.049) 3.050 4.994 ( 0.000 -1.095 -3.277) 3.455 5.020 ( 0.000 -4.541 -2.457) 5.163 5.066 ( 0.000 -0.876 -5.012) 5.088 5.109 ( 0.000 -1.758 -6.201) 6.446 5.499 ( 0.000 0.553 3.140) 3.188 5.512 ( 0.000 3.250 -0.913) 3.376 5.526 ( 0.000 -1.058 0.872) 1.371 5.588 ( 0.000 -0.594 -3.692) 3.740 5.599 ( 0.000 0.334 7.260) 7.268 5.653 ( 0.000 -1.675 8.842) 8.999 5.749 ( 0.000 -1.157 -7.237) 7.329 5.770 ( 0.000 -2.275 -1.746) 2.868 5.850 ( 0.000 1.578 0.951) 1.843 5.859 ( 0.000 1.915 -0.700) 2.039 5.871 ( 0.000 0.463 -2.174) 2.223 5.917 ( 0.000 0.720 -6.171) 6.213 6.017 ( 0.000 6.917 0.420) 6.929 6.078 ( 0.000 3.663 -5.051) 6.239 6.269 ( 0.000 -4.202 0.163) 4.206 6.318 ( 0.000 -5.953 -4.526) 7.478 10.300 ( 0.000 0.688 2.468) 2.562 10.329 ( 0.000 0.672 -0.432) 0.799 10.338 ( 0.000 -1.094 2.185) 2.443 10.365 ( 0.000 -0.898 -0.375) 0.973 10.390 ( 0.000 0.813 3.310) 3.408 10.419 ( 0.000 -0.572 3.790) 3.833 10.441 ( 0.000 0.729 -1.580) 1.740 10.476 ( 0.000 -0.875 -1.706) 1.917 10.729 ( 0.000 1.550 2.830) 3.227 10.758 ( 0.000 0.188 3.948) 3.953 10.776 ( 0.000 1.449 -1.811) 2.320 10.831 ( 0.000 -0.783 -2.965) 3.067 11.071 ( 0.000 1.205 3.133) 3.357 11.085 ( 0.000 0.180 1.509) 1.520 11.115 ( 0.000 -1.137 3.742) 3.911 11.200 ( 0.000 -4.391 -3.715) 5.752 18.983 ( 0.000 0.005 0.816) 0.816 18.986 ( 0.000 -0.123 0.635) 0.647 18.999 ( 0.000 -0.117 -0.744) 0.753 19.000 ( 0.000 -0.172 -0.809) 0.827 27.203 ( 0.000 0.326 4.851) 4.862 27.216 ( 0.000 -0.205 3.621) 3.626 27.239 ( 0.000 1.369 1.970) 2.399 27.288 ( 0.000 -0.596 -3.222) 3.276 27.391 ( 0.000 0.440 -0.713) 0.838 27.414 ( 0.000 1.007 -2.452) 2.651 27.447 ( 0.000 -2.096 0.963) 2.307 27.470 ( 0.000 -1.356 -1.165) 1.788 29.272 ( 0.000 0.571 0.332) 0.660 29.278 ( 0.000 0.156 0.300) 0.338 29.280 ( 0.000 0.155 0.064) 0.168 29.289 ( 0.000 -0.268 -0.360) 0.449 29.345 ( 0.000 -0.050 0.450) 0.453 29.350 ( 0.000 1.439 -0.283) 1.466 29.353 ( 0.000 -0.269 2.847) 2.860 29.428 ( 0.000 -1.844 -4.140) 4.532 30.717 ( 0.000 0.302 1.126) 1.165 30.729 ( 0.000 -0.152 0.905) 0.918 30.744 ( 0.000 0.230 -1.460) 1.478 30.752 ( 0.000 -0.082 -1.397) 1.400 30.841 ( 0.000 0.699 1.140) 1.337 30.862 ( 0.000 0.905 -0.874) 1.258 30.881 ( 0.000 -0.963 1.905) 2.134 30.911 ( 0.000 -1.120 -0.995) 1.498 35.525 ( 0.000 0.434 13.141) 13.149 35.553 ( 0.000 -0.804 12.383) 12.409 35.781 ( 0.000 0.307 -11.534) 11.539 35.797 ( 0.000 -0.400 -11.162) 11.169 36.828 ( 0.000 0.135 3.195) 3.198 36.834 ( 0.000 -0.131 3.136) 3.139 36.896 ( 0.000 0.156 -3.322) 3.325 36.904 ( 0.000 -0.179 -3.656) 3.660 48.099 ( 0.000 0.200 0.656) 0.686 48.107 ( 0.000 -0.141 0.493) 0.513 48.112 ( 0.000 0.181 -0.564) 0.592 48.119 ( 0.000 -0.060 -0.684) 0.686 48.178 ( 0.000 0.302 1.281) 1.316 48.191 ( 0.000 -0.261 0.779) 0.822 48.202 ( 0.000 0.188 -1.002) 1.020 48.211 ( 0.000 -0.211 -1.234) 1.252 50.952 ( 0.000 3.586 39.991) 40.152 51.074 ( 0.000 -1.681 46.129) 46.160 51.844 ( 0.000 10.520 -46.828) 47.995 52.145 ( 0.000 -2.927 -58.178) 58.251 85.292 ( 0.000 1.952 0.980) 2.184 85.297 ( 0.000 2.093 0.515) 2.156 85.385 ( 0.000 -2.121 1.788) 2.774 85.390 ( 0.000 -1.978 1.433) 2.442 85.786 ( 0.000 4.789 4.868) 6.829 85.817 ( 0.000 6.576 1.822) 6.824 86.017 ( 0.000 -5.213 12.240) 13.304 86.194 ( 0.000 -10.637 -3.840) 11.308 86.372 ( 0.000 0.599 0.352) 0.695 86.387 ( 0.000 -0.366 -0.993) 1.058 86.400 ( 0.000 -0.152 -2.017) 2.022 86.401 ( 0.000 -0.146 -1.756) 1.762 86.883 ( 0.000 4.102 3.502) 5.394 86.918 ( 0.000 9.248 0.298) 9.253 87.068 ( 0.000 -3.924 12.181) 12.798 87.306 ( 0.000 -8.548 -10.449) 13.500 ======================= Grid point 81 (32/36) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 1.756 2.803 1.569) 3.661 0.903 ( 2.189 3.324 5.508) 6.796 0.952 ( 0.088 1.438 1.514) 2.090 1.057 ( 1.070 3.541 4.175) 5.578 1.077 ( 1.093 3.868 5.060) 6.462 1.155 ( 1.940 -2.835 1.193) 3.636 1.181 ( 0.362 0.704 -1.043) 1.310 1.256 ( 2.365 -2.943 -0.324) 3.790 1.287 ( -0.016 0.231 1.698) 1.714 1.339 ( -0.989 1.129 2.269) 2.721 1.376 ( 1.527 -0.300 1.007) 1.853 1.444 ( 0.128 -1.526 -0.810) 1.733 1.465 ( -0.786 -0.276 5.976) 6.034 1.530 ( 1.093 -0.194 2.576) 2.805 1.544 ( -1.250 0.592 2.396) 2.766 1.576 ( 0.963 0.565 3.060) 3.257 1.582 ( -2.757 2.256 -5.078) 6.203 1.627 ( 1.400 -0.015 0.266) 1.425 1.679 ( 0.044 1.050 -4.470) 4.591 1.725 ( -0.228 0.928 2.899) 3.052 1.765 ( -1.430 -2.581 -2.146) 3.649 1.775 ( -1.243 0.647 0.611) 1.529 1.802 ( -1.922 -3.111 -1.868) 4.106 1.822 ( -2.504 0.152 0.962) 2.687 1.826 ( 2.591 1.777 -0.650) 3.208 1.881 ( 1.272 0.368 -0.908) 1.606 1.921 ( 0.279 -1.065 -1.884) 2.182 1.926 ( 0.477 1.020 1.087) 1.566 1.974 ( 0.466 -0.340 -1.074) 1.219 1.998 ( 0.579 0.163 -1.890) 1.983 2.002 ( 1.229 -0.596 0.379) 1.417 2.049 ( -2.098 1.261 3.489) 4.262 2.070 ( 0.209 0.093 -3.090) 3.099 2.118 ( 0.220 0.515 0.722) 0.914 2.173 ( -2.890 -2.485 3.136) 4.936 2.190 ( -1.537 -1.626 0.865) 2.399 2.214 ( -3.785 -4.065 0.468) 5.574 2.223 ( 2.050 0.712 2.279) 3.147 2.254 ( -2.241 -3.909 2.827) 5.320 2.310 ( -1.088 -1.023 -2.112) 2.586 2.329 ( 0.686 1.709 4.042) 4.442 2.349 ( -1.601 2.494 3.564) 4.635 2.392 ( 2.455 3.694 2.410) 5.048 2.417 ( -1.827 2.767 2.035) 3.891 2.429 ( -0.214 2.892 1.519) 3.273 2.476 ( -1.051 1.616 -0.819) 2.094 2.507 ( 0.387 -0.205 0.781) 0.895 2.565 ( 1.053 -2.088 0.870) 2.495 2.588 ( 0.534 -1.105 2.476) 2.763 2.619 ( 1.816 -2.674 -1.897) 3.748 2.633 ( 0.166 -1.462 1.691) 2.242 2.668 ( -1.263 -2.878 3.380) 4.616 2.700 ( 0.234 -1.975 0.348) 2.019 2.717 ( -2.149 0.347 -7.879) 8.174 2.753 ( -0.765 -2.395 -2.532) 3.568 2.801 ( -0.313 -0.344 -1.761) 1.821 2.847 ( -2.327 -3.328 1.402) 4.296 2.868 ( 0.392 2.688 -1.165) 2.956 2.885 ( -2.301 -2.999 -1.362) 4.018 2.941 ( -1.647 -0.254 -0.358) 1.705 2.979 ( 3.979 2.719 0.116) 4.821 3.014 ( 0.948 3.625 -0.753) 3.822 3.042 ( 2.900 2.419 -0.903) 3.883 3.051 ( 1.269 1.490 0.226) 1.970 3.130 ( 2.872 2.942 0.948) 4.220 3.134 ( 3.292 0.976 0.931) 3.558 3.166 ( 2.335 -0.254 0.308) 2.369 3.207 ( 2.739 -0.069 -1.528) 3.137 3.227 ( 0.695 0.583 0.745) 1.174 3.276 ( -1.248 -1.730 2.226) 3.083 3.300 ( 2.323 1.135 -0.726) 2.685 3.313 ( -0.047 -1.594 2.990) 3.388 3.355 ( -0.669 -1.079 3.228) 3.469 3.376 ( -0.113 -2.760 1.794) 3.294 3.384 ( 0.061 -1.826 -0.197) 1.838 3.404 ( 0.414 -2.631 0.701) 2.754 3.435 ( 0.040 2.256 3.415) 4.093 3.493 ( -0.655 1.460 -1.152) 1.972 3.497 ( -1.306 0.021 1.718) 2.158 3.557 ( -0.542 -0.296 -0.582) 0.848 3.591 ( -1.122 0.666 1.573) 2.044 3.631 ( -0.509 0.942 2.669) 2.875 3.646 ( -1.589 -0.315 2.870) 3.296 3.685 ( -0.617 -0.370 0.651) 0.971 3.707 ( -0.893 0.050 2.733) 2.876 3.730 ( 1.326 0.742 3.362) 3.689 3.742 ( 0.659 -0.228 2.128) 2.239 3.748 ( 1.167 0.058 4.048) 4.213 3.770 ( 0.649 1.714 3.443) 3.900 3.802 ( 0.242 2.727 0.800) 2.853 3.836 ( -3.294 0.016 -2.506) 4.139 3.859 ( -1.073 -1.128 2.593) 3.024 3.905 ( -1.245 -0.149 -6.351) 6.473 3.927 ( -0.720 -0.982 -5.627) 5.757 3.953 ( -0.949 0.056 -3.462) 3.590 3.979 ( -1.415 -0.012 -2.944) 3.266 4.003 ( -0.713 0.411 0.979) 1.279 4.014 ( 0.383 0.049 -0.759) 0.852 4.069 ( 0.010 1.523 -3.347) 3.677 4.103 ( -1.083 1.212 -4.291) 4.589 4.117 ( 1.302 -0.329 -4.355) 4.558 4.145 ( 0.797 -0.350 -1.889) 2.080 4.156 ( 2.445 -0.259 -2.918) 3.816 4.190 ( 0.977 -1.243 -4.975) 5.220 4.513 ( 0.972 0.197 0.735) 1.234 4.518 ( 0.628 0.262 0.277) 0.734 4.540 ( 0.030 0.953 -1.608) 1.869 4.566 ( -0.477 0.624 -4.042) 4.117 4.832 ( 0.101 1.915 2.591) 3.224 4.873 ( 0.119 -0.200 0.274) 0.360 4.894 ( -0.932 -0.660 1.945) 2.256 4.924 ( 0.793 0.910 1.475) 1.906 4.945 ( -1.595 -0.921 0.149) 1.848 4.961 ( 0.164 0.714 0.293) 0.789 4.976 ( 0.156 0.180 -0.259) 0.352 4.983 ( -0.235 0.031 3.618) 3.626 5.003 ( 0.499 -0.822 -1.728) 1.978 5.025 ( -0.500 -3.799 -0.722) 3.899 5.058 ( -0.015 0.349 -4.008) 4.023 5.092 ( -1.064 -1.079 -5.241) 5.455 5.491 ( 0.830 -0.124 2.858) 2.978 5.530 ( 0.413 -1.283 1.560) 2.062 5.569 ( 2.590 1.488 -0.080) 2.988 5.595 ( -0.348 0.333 6.058) 6.077 5.606 ( 1.284 0.033 -2.481) 2.794 5.636 ( -0.959 -0.318 7.067) 7.139 5.752 ( -0.060 0.607 -6.497) 6.526 5.775 ( 0.516 -2.213 -4.416) 4.967 5.855 ( 0.466 1.042 1.337) 1.758 5.867 ( -0.208 1.085 -1.035) 1.514 5.878 ( 1.188 2.383 -1.451) 3.032 5.941 ( 1.102 2.796 -6.523) 7.183 6.010 ( 1.170 1.492 0.489) 1.958 6.106 ( 2.596 2.739 -3.678) 5.269 6.227 ( -4.002 -4.253 -1.304) 5.984 6.272 ( -3.999 -4.432 -3.255) 6.800 10.316 ( 1.442 0.501 2.131) 2.621 10.337 ( 0.736 0.557 0.077) 0.926 10.345 ( 0.520 -0.796 1.932) 2.154 10.368 ( 0.308 -0.638 -0.084) 0.714 10.382 ( -0.694 0.376 2.951) 3.055 10.409 ( -0.920 -0.655 3.241) 3.432 10.438 ( -0.257 0.641 -1.239) 1.419 10.462 ( -1.191 -0.541 -1.347) 1.877 10.729 ( 0.193 0.984 2.801) 2.975 10.752 ( -0.528 0.027 3.699) 3.736 10.793 ( 1.327 1.835 -1.702) 2.833 10.834 ( 0.047 0.136 -2.830) 2.833 11.053 ( -0.706 -0.890 2.353) 2.613 11.094 ( -0.820 -1.005 2.930) 3.204 11.104 ( 0.122 0.203 1.676) 1.692 11.169 ( -2.448 -2.615 -1.185) 3.772 18.983 ( 0.028 -0.022 0.786) 0.787 18.985 ( -0.056 -0.114 0.659) 0.671 18.999 ( 0.000 -0.111 -0.737) 0.745 19.000 ( -0.031 -0.149 -0.786) 0.801 27.211 ( 0.740 0.513 4.729) 4.814 27.233 ( 1.504 -0.350 3.127) 3.487 27.238 ( -0.086 1.259 2.758) 3.033 27.289 ( -0.152 -0.667 -2.358) 2.455 27.395 ( 0.539 0.051 -1.218) 1.333 27.407 ( -0.564 0.772 -2.042) 2.255 27.425 ( -1.639 -1.305 0.793) 2.240 27.453 ( -1.472 -1.132 -1.484) 2.377 29.274 ( 0.397 0.084 0.639) 0.757 29.282 ( 0.165 -0.145 0.370) 0.431 29.296 ( 0.877 0.344 0.218) 0.967 29.298 ( 0.827 0.310 -0.423) 0.979 29.340 ( -0.397 0.406 0.307) 0.646 29.346 ( -0.538 -0.067 2.433) 2.493 29.357 ( 0.708 0.398 -0.822) 1.156 29.416 ( -1.158 -1.564 -3.896) 4.355 30.731 ( 1.223 0.269 0.920) 1.554 30.737 ( 0.818 0.096 0.694) 1.078 30.755 ( 0.694 0.128 -0.949) 1.183 30.760 ( 0.540 0.003 -1.081) 1.209 30.839 ( 0.036 0.385 0.734) 0.830 30.853 ( -0.692 0.603 -0.336) 0.977 30.868 ( -1.041 -0.686 1.283) 1.789 30.894 ( -1.507 -0.945 -0.915) 2.000 35.527 ( 0.214 0.289 13.130) 13.135 35.547 ( -0.557 -0.561 12.637) 12.662 35.783 ( 0.167 0.211 -11.519) 11.522 35.794 ( -0.280 -0.287 -11.261) 11.268 36.830 ( 0.159 0.086 3.247) 3.252 36.834 ( -0.008 -0.102 3.205) 3.206 36.901 ( 0.364 0.068 -3.579) 3.598 36.906 ( 0.140 -0.151 -3.760) 3.766 48.101 ( 0.163 0.106 0.581) 0.612 48.106 ( -0.063 -0.143 0.450) 0.477 48.115 ( 0.233 0.222 -0.532) 0.622 48.120 ( 0.089 0.064 -0.619) 0.629 48.177 ( 0.001 0.133 1.214) 1.221 48.187 ( -0.339 -0.260 0.844) 0.945 48.203 ( 0.076 0.171 -1.024) 1.041 48.209 ( -0.175 -0.119 -1.187) 1.206 50.967 ( 1.476 2.700 40.591) 40.707 51.054 ( -1.814 -1.017 44.939) 44.987 51.877 ( 3.172 8.155 -47.531) 48.330 52.090 ( -4.904 -1.328 -55.606) 55.838 85.288 ( 0.373 0.773 0.615) 1.056 85.330 ( 2.270 2.916 1.100) 3.855 85.344 ( -2.002 -1.843 1.039) 2.913 85.412 ( -0.092 0.413 1.985) 2.029 85.774 ( 1.520 0.628 2.621) 3.094 85.915 ( 6.700 6.449 4.344) 10.264 85.964 ( -4.597 -6.096 8.083) 11.119 86.172 ( -2.823 -5.531 -0.332) 6.219 86.371 ( 0.141 0.558 0.804) 0.989 86.387 ( 0.145 -0.272 -0.490) 0.579 86.401 ( -0.194 0.226 -1.138) 1.176 86.404 ( 0.055 0.166 -1.454) 1.464 86.847 ( -0.514 2.035 2.294) 3.109 86.977 ( 3.419 5.546 1.788) 6.756 87.013 ( -4.599 -3.395 8.742) 10.445 87.221 ( -6.935 -5.400 -6.565) 10.971 ======================= Grid point 82 (33/36) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -3.912 -1.578 0.971) 4.329 0.832 ( 3.912 -1.578 0.971) 4.329 1.049 ( -3.104 5.911 3.295) 7.445 1.049 ( 3.104 5.911 3.295) 7.445 1.128 ( -3.659 0.026 5.436) 6.553 1.128 ( 3.659 0.026 5.436) 6.553 1.226 ( -4.143 1.590 0.228) 4.444 1.226 ( 4.143 1.590 0.228) 4.444 1.318 ( -1.636 1.600 3.186) 3.922 1.318 ( 1.636 1.600 3.186) 3.922 1.422 ( -4.337 -1.429 -2.743) 5.327 1.422 ( 4.337 -1.429 -2.743) 5.327 1.462 ( -0.683 -1.688 4.450) 4.808 1.462 ( 0.683 -1.688 4.450) 4.808 1.564 ( -1.092 0.804 -1.455) 1.989 1.564 ( 1.092 0.804 -1.455) 1.989 1.624 ( -3.388 -2.942 -0.605) 4.528 1.624 ( 3.388 -2.942 -0.605) 4.528 1.730 ( -2.860 0.059 -0.649) 2.933 1.730 ( 2.860 0.059 -0.649) 2.933 1.739 ( -1.953 -0.310 -0.676) 2.090 1.739 ( 1.953 -0.310 -0.676) 2.090 1.776 ( -1.794 3.395 0.305) 3.852 1.776 ( 1.794 3.395 0.305) 3.852 1.887 ( -2.136 -0.078 -0.109) 2.140 1.887 ( 2.136 -0.078 -0.109) 2.140 1.921 ( -0.492 2.389 -1.244) 2.738 1.921 ( 0.492 2.389 -1.244) 2.738 1.972 ( -1.242 -1.242 0.573) 1.848 1.972 ( 1.242 -1.242 0.573) 1.848 2.025 ( -0.977 -0.272 2.329) 2.540 2.025 ( 0.977 -0.272 2.329) 2.540 2.090 ( -3.219 -2.397 -2.649) 4.808 2.090 ( 3.219 -2.397 -2.649) 4.808 2.153 ( -1.504 -1.065 2.939) 3.469 2.153 ( 1.504 -1.065 2.939) 3.469 2.205 ( -3.039 -3.638 -0.143) 4.743 2.205 ( 3.039 -3.638 -0.143) 4.743 2.278 ( -1.949 -1.079 0.067) 2.229 2.278 ( 1.949 -1.079 0.067) 2.229 2.356 ( -0.911 5.304 5.841) 7.942 2.356 ( 0.911 5.304 5.841) 7.942 2.379 ( -0.358 2.384 1.559) 2.871 2.379 ( 0.358 2.384 1.559) 2.871 2.450 ( -1.396 4.373 2.795) 5.374 2.450 ( 1.396 4.373 2.795) 5.374 2.536 ( -2.096 -0.858 -0.487) 2.316 2.536 ( 2.096 -0.858 -0.487) 2.316 2.614 ( -1.821 -0.752 0.920) 2.175 2.614 ( 1.821 -0.752 0.920) 2.175 2.657 ( -1.197 -5.929 1.977) 6.364 2.657 ( 1.197 -5.929 1.977) 6.364 2.697 ( -1.163 -0.742 -5.070) 5.254 2.697 ( 1.163 -0.742 -5.070) 5.254 2.772 ( -2.724 -4.844 -0.812) 5.617 2.772 ( 2.724 -4.844 -0.812) 5.617 2.833 ( -2.595 -2.441 -2.042) 4.106 2.833 ( 2.595 -2.441 -2.042) 4.106 2.898 ( -2.109 0.535 -0.413) 2.215 2.898 ( 2.109 0.535 -0.413) 2.215 3.036 ( -1.281 4.305 -0.101) 4.493 3.036 ( 1.281 4.305 -0.101) 4.493 3.062 ( -1.736 4.840 1.360) 5.319 3.062 ( 1.736 4.840 1.360) 5.319 3.186 ( -0.728 0.313 0.916) 1.211 3.186 ( 0.729 0.313 0.916) 1.211 3.193 ( -1.993 0.505 0.089) 2.058 3.193 ( 1.993 0.505 0.089) 2.058 3.266 ( -1.281 0.531 1.056) 1.743 3.266 ( 1.281 0.531 1.056) 1.743 3.340 ( -2.149 -2.867 0.982) 3.715 3.340 ( 2.149 -2.867 0.982) 3.715 3.343 ( -1.695 0.782 0.755) 2.014 3.343 ( 1.695 0.782 0.755) 2.014 3.390 ( -1.834 -2.217 0.536) 2.927 3.390 ( 1.834 -2.217 0.536) 2.927 3.453 ( -2.393 -0.159 2.293) 3.318 3.453 ( 2.393 -0.159 2.293) 3.318 3.517 ( -2.235 0.947 0.469) 2.472 3.517 ( 2.235 0.947 0.469) 2.472 3.611 ( -1.407 -1.952 1.549) 2.862 3.611 ( 1.407 -1.952 1.549) 2.862 3.646 ( -1.604 1.537 0.808) 2.364 3.646 ( 1.604 1.537 0.808) 2.364 3.723 ( -1.914 -1.285 3.027) 3.805 3.723 ( 1.914 -1.285 3.027) 3.805 3.758 ( -0.785 2.101 5.800) 6.218 3.758 ( 0.785 2.101 5.800) 6.218 3.779 ( -0.741 -0.240 -0.549) 0.953 3.779 ( 0.741 -0.240 -0.549) 0.953 3.833 ( -1.449 1.216 0.149) 1.898 3.833 ( 1.449 1.216 0.149) 1.898 3.902 ( -1.164 -0.712 -4.928) 5.113 3.902 ( 1.164 -0.712 -4.928) 5.113 3.946 ( -0.798 0.468 -2.763) 2.914 3.946 ( 0.798 0.468 -2.763) 2.914 4.015 ( -0.798 -0.127 -2.186) 2.330 4.015 ( 0.798 -0.127 -2.186) 2.330 4.074 ( -1.107 2.075 -3.661) 4.351 4.074 ( 1.107 2.075 -3.661) 4.351 4.145 ( -0.820 -0.219 -1.178) 1.452 4.145 ( 0.820 -0.219 -1.178) 1.452 4.194 ( -0.789 -1.255 -5.450) 5.648 4.194 ( 0.789 -1.255 -5.450) 5.648 4.529 ( -0.508 0.209 -0.220) 0.592 4.529 ( 0.508 0.209 -0.220) 0.592 4.548 ( -1.155 0.588 -2.048) 2.423 4.548 ( 1.155 0.588 -2.048) 2.423 4.853 ( -1.715 0.584 2.446) 3.044 4.853 ( 1.715 0.584 2.446) 3.044 4.899 ( -1.802 -1.384 -1.180) 2.560 4.899 ( 1.802 -1.384 -1.180) 2.560 4.951 ( -0.997 1.069 1.820) 2.334 4.951 ( 0.997 1.069 1.820) 2.334 4.982 ( -0.056 0.137 0.653) 0.669 4.982 ( 0.056 0.137 0.653) 0.669 5.010 ( -0.380 -0.611 -0.169) 0.740 5.010 ( 0.380 -0.611 -0.169) 0.740 5.072 ( -0.902 -1.032 -3.924) 4.156 5.072 ( 0.902 -1.032 -3.924) 4.156 5.521 ( -1.452 -1.929 2.518) 3.489 5.521 ( 1.452 -1.929 2.518) 3.489 5.594 ( -0.198 0.681 4.497) 4.552 5.594 ( 0.198 0.681 4.497) 4.552 5.622 ( -0.718 1.420 1.207) 1.997 5.622 ( 0.718 1.420 1.207) 1.997 5.769 ( -1.266 -0.525 -7.801) 7.921 5.769 ( 1.266 -0.525 -7.801) 7.921 5.861 ( -0.287 1.176 0.746) 1.422 5.861 ( 0.287 1.176 0.746) 1.422 5.914 ( -2.285 4.217 -2.273) 5.308 5.914 ( 2.285 4.217 -2.273) 5.308 6.110 ( -6.497 -4.278 -2.673) 8.225 6.110 ( 6.497 -4.278 -2.673) 8.225 6.181 ( -4.233 -0.456 -2.223) 4.803 6.181 ( 4.233 -0.456 -2.223) 4.803 10.346 ( -0.816 0.002 1.451) 1.665 10.346 ( 0.816 0.002 1.451) 1.665 10.356 ( -1.147 0.453 1.263) 1.765 10.356 ( 1.147 0.453 1.263) 1.765 10.387 ( -1.018 -0.952 1.956) 2.401 10.387 ( 1.018 -0.952 1.956) 2.401 10.439 ( -0.648 0.202 -0.833) 1.074 10.439 ( 0.648 0.202 -0.833) 1.074 10.739 ( -0.683 0.293 3.235) 3.320 10.739 ( 0.683 0.293 3.235) 3.320 10.822 ( -1.226 1.573 -2.248) 3.005 10.822 ( 1.226 1.573 -2.248) 3.005 11.060 ( -1.457 -2.623 1.684) 3.441 11.060 ( 1.457 -2.623 1.684) 3.441 11.125 ( -1.552 0.300 1.697) 2.319 11.125 ( 1.552 0.300 1.697) 2.319 18.984 ( -0.058 -0.077 0.721) 0.727 18.984 ( 0.058 -0.077 0.721) 0.727 18.999 ( -0.023 -0.115 -0.747) 0.756 18.999 ( 0.023 -0.115 -0.747) 0.756 27.228 ( -0.774 0.958 4.146) 4.325 27.228 ( 0.774 0.958 4.146) 4.325 27.271 ( -1.662 -0.733 0.823) 1.994 27.271 ( 1.662 -0.733 0.823) 1.994 27.400 ( -0.378 0.046 -0.797) 0.883 27.400 ( 0.378 0.046 -0.797) 0.883 27.419 ( -1.556 -0.585 -1.817) 2.462 27.419 ( 1.556 -0.585 -1.817) 2.462 29.282 ( -0.219 -0.222 0.636) 0.708 29.282 ( 0.219 -0.222 0.636) 0.708 29.307 ( -0.162 0.643 0.241) 0.706 29.307 ( 0.162 0.643 0.241) 0.706 29.336 ( -0.223 0.187 1.267) 1.300 29.336 ( 0.223 0.187 1.267) 1.300 29.384 ( -1.697 -0.780 -2.903) 3.452 29.384 ( 1.697 -0.780 -2.903) 3.452 30.755 ( -0.739 0.233 0.127) 0.785 30.755 ( 0.739 0.233 0.127) 0.785 30.759 ( -0.858 0.242 0.171) 0.908 30.759 ( 0.858 0.242 0.171) 0.908 30.848 ( -0.602 -0.146 0.250) 0.668 30.848 ( 0.602 -0.146 0.250) 0.668 30.858 ( -1.620 -0.386 -0.371) 1.706 30.858 ( 1.620 -0.386 -0.371) 1.706 35.535 ( -0.509 -0.091 12.997) 13.008 35.535 ( 0.509 -0.091 12.997) 13.008 35.788 ( -0.311 -0.030 -11.431) 11.436 35.788 ( 0.311 -0.030 -11.431) 11.436 36.833 ( -0.120 -0.017 3.285) 3.287 36.833 ( 0.120 -0.017 3.285) 3.287 36.907 ( -0.131 -0.068 -3.840) 3.843 36.907 ( 0.131 -0.068 -3.840) 3.843 48.104 ( -0.145 -0.061 0.470) 0.496 48.104 ( 0.145 -0.061 0.470) 0.496 48.120 ( -0.151 0.231 -0.539) 0.605 48.120 ( 0.151 0.231 -0.539) 0.605 48.180 ( -0.274 -0.155 1.029) 1.076 48.180 ( 0.274 -0.155 1.029) 1.076 48.205 ( -0.184 0.060 -1.096) 1.113 48.205 ( 0.184 0.060 -1.096) 1.113 51.008 ( -2.329 0.732 42.473) 42.543 51.008 ( 2.329 0.732 42.473) 42.543 51.972 ( -5.710 3.039 -50.656) 51.067 51.972 ( 5.710 3.039 -50.656) 51.067 85.307 ( -1.409 -0.644 0.696) 1.699 85.307 ( 1.409 -0.644 0.696) 1.699 85.382 ( -2.407 2.917 1.628) 4.117 85.382 ( 2.407 2.917 1.628) 4.117 85.853 ( -5.401 -4.726 3.663) 8.058 85.853 ( 5.401 -4.726 3.663) 8.058 86.065 ( -7.052 2.729 3.789) 8.457 86.065 ( 7.052 2.729 3.789) 8.457 86.381 ( -0.752 0.363 0.161) 0.850 86.381 ( 0.752 0.363 0.161) 0.850 86.401 ( -0.337 0.213 -0.334) 0.520 86.401 ( 0.337 0.213 -0.334) 0.520 86.896 ( -4.915 -2.888 4.152) 7.053 86.896 ( 4.915 -2.888 4.152) 7.053 87.078 ( -5.973 1.035 -0.885) 6.126 87.078 ( 5.973 1.035 -0.885) 6.126 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 -7.031 6.530) 9.595 0.928 ( 0.000 7.031 6.530) 9.595 0.958 ( 0.000 -9.505 2.533) 9.837 0.958 ( 0.000 9.505 2.533) 9.837 1.108 ( 0.000 -2.892 0.547) 2.943 1.108 ( 0.000 2.892 0.547) 2.943 1.166 ( 0.000 -2.833 -2.545) 3.809 1.166 ( 0.000 2.833 -2.545) 3.809 1.323 ( 0.000 -3.272 4.061) 5.215 1.323 ( 0.000 3.272 4.061) 5.215 1.391 ( 0.000 -4.506 0.242) 4.513 1.391 ( 0.000 4.506 0.242) 4.513 1.505 ( 0.000 -1.967 4.861) 5.244 1.505 ( 0.000 1.967 4.861) 5.244 1.556 ( 0.000 -3.646 -0.788) 3.730 1.556 ( 0.000 3.646 -0.788) 3.730 1.659 ( 0.000 -2.387 4.812) 5.372 1.659 ( 0.000 2.387 4.812) 5.372 1.729 ( 0.000 -0.120 -2.578) 2.581 1.729 ( 0.000 0.120 -2.578) 2.581 1.765 ( 0.000 -3.308 3.119) 4.546 1.765 ( 0.000 3.308 3.119) 4.546 1.812 ( 0.000 -0.754 -2.616) 2.722 1.812 ( 0.000 0.754 -2.616) 2.722 1.877 ( 0.000 -3.642 -0.106) 3.644 1.877 ( 0.000 3.642 -0.106) 3.644 1.894 ( 0.000 -2.883 -3.102) 4.235 1.894 ( 0.000 2.883 -3.102) 4.235 1.933 ( 0.000 -3.182 -0.971) 3.327 1.933 ( 0.000 3.182 -0.971) 3.327 1.996 ( 0.000 -2.377 -4.342) 4.950 1.996 ( 0.000 2.377 -4.342) 4.950 2.143 ( 0.000 -3.087 0.600) 3.144 2.143 ( 0.000 3.087 0.600) 3.144 2.178 ( 0.000 -2.376 -3.243) 4.020 2.178 ( 0.000 2.376 -3.243) 4.020 2.259 ( 0.000 -3.913 5.595) 6.828 2.259 ( 0.000 3.913 5.595) 6.828 2.298 ( 0.000 -4.185 0.167) 4.188 2.298 ( 0.000 4.185 0.167) 4.188 2.345 ( 0.000 -3.276 5.707) 6.580 2.345 ( 0.000 3.276 5.707) 6.580 2.414 ( 0.000 -1.481 3.646) 3.936 2.414 ( 0.000 1.481 3.646) 3.936 2.455 ( 0.000 -2.725 -4.755) 5.480 2.455 ( 0.000 2.725 -4.755) 5.480 2.484 ( 0.000 -1.361 -3.693) 3.936 2.484 ( 0.000 1.361 -3.693) 3.936 2.557 ( 0.000 -6.825 11.421) 13.305 2.557 ( 0.000 6.825 11.421) 13.305 2.690 ( 0.000 -1.552 2.501) 2.944 2.690 ( 0.000 1.552 2.501) 2.944 2.717 ( 0.000 -3.115 0.718) 3.197 2.717 ( 0.000 3.115 0.718) 3.197 2.831 ( 0.000 -1.812 -2.756) 3.298 2.831 ( 0.000 1.812 -2.756) 3.298 2.857 ( 0.000 -0.147 -5.945) 5.947 2.857 ( 0.000 0.147 -5.945) 5.947 2.939 ( 0.000 -3.106 1.660) 3.522 2.939 ( 0.000 3.106 1.660) 3.522 2.963 ( 0.000 -2.436 -2.749) 3.673 2.963 ( 0.000 2.436 -2.749) 3.673 2.988 ( 0.000 -0.580 -1.009) 1.164 2.988 ( 0.000 0.580 -1.009) 1.164 3.121 ( 0.000 -0.520 1.606) 1.688 3.121 ( 0.000 0.520 1.606) 1.688 3.165 ( 0.000 -1.609 -2.036) 2.595 3.165 ( 0.000 1.609 -2.036) 2.595 3.256 ( 0.000 -3.154 3.425) 4.656 3.256 ( 0.000 3.154 3.425) 4.656 3.304 ( 0.000 -2.642 -1.023) 2.833 3.304 ( 0.000 2.642 -1.023) 2.833 3.321 ( 0.000 -1.859 4.065) 4.470 3.321 ( 0.000 1.859 4.065) 4.470 3.366 ( 0.000 -0.408 0.477) 0.628 3.366 ( 0.000 0.408 0.477) 0.628 3.487 ( 0.000 -2.354 2.723) 3.599 3.487 ( 0.000 2.354 2.723) 3.599 3.540 ( 0.000 -1.731 -2.436) 2.989 3.540 ( 0.000 1.731 -2.436) 2.989 3.666 ( 0.000 -1.434 4.264) 4.499 3.666 ( 0.000 1.434 4.264) 4.499 3.680 ( 0.000 -2.344 2.442) 3.385 3.680 ( 0.000 2.344 2.442) 3.385 3.688 ( 0.000 -0.678 3.362) 3.429 3.688 ( 0.000 0.678 3.362) 3.429 3.728 ( 0.000 -0.561 0.554) 0.788 3.728 ( 0.000 0.561 0.554) 0.788 3.817 ( 0.000 -3.277 6.029) 6.862 3.817 ( 0.000 3.277 6.029) 6.862 3.897 ( 0.000 -4.142 -1.862) 4.542 3.897 ( 0.000 4.142 -1.862) 4.542 3.903 ( 0.000 -1.157 -6.174) 6.281 3.903 ( 0.000 1.157 -6.174) 6.281 3.954 ( 0.000 -0.843 -5.263) 5.330 3.954 ( 0.000 0.843 -5.263) 5.330 4.033 ( 0.000 -0.456 1.554) 1.620 4.033 ( 0.000 0.456 1.554) 1.620 4.079 ( 0.000 -1.120 -3.225) 3.414 4.079 ( 0.000 1.120 -3.225) 3.414 4.136 ( 0.000 -0.516 -3.360) 3.399 4.136 ( 0.000 0.516 -3.360) 3.399 4.139 ( 0.000 -1.779 -4.714) 5.038 4.139 ( 0.000 1.779 -4.714) 5.038 4.513 ( 0.000 -0.440 1.396) 1.464 4.513 ( 0.000 0.440 1.396) 1.464 4.565 ( 0.000 -1.358 -3.642) 3.887 4.565 ( 0.000 1.358 -3.642) 3.887 4.881 ( 0.000 -1.101 3.238) 3.421 4.881 ( 0.000 1.101 3.238) 3.421 4.908 ( 0.000 -5.290 0.782) 5.348 4.908 ( 0.000 5.290 0.782) 5.348 4.941 ( 0.000 -1.900 0.732) 2.036 4.941 ( 0.000 1.900 0.732) 2.036 4.979 ( 0.000 -0.933 -3.069) 3.207 4.979 ( 0.000 0.933 -3.069) 3.207 4.985 ( 0.000 -0.525 3.164) 3.208 4.985 ( 0.000 0.525 3.164) 3.208 5.080 ( 0.000 -1.310 -5.103) 5.268 5.080 ( 0.000 1.310 -5.103) 5.268 5.511 ( 0.000 -0.699 2.481) 2.578 5.511 ( 0.000 0.699 2.481) 2.578 5.564 ( 0.000 -2.117 -3.206) 3.842 5.564 ( 0.000 2.117 -3.206) 3.842 5.617 ( 0.000 -1.699 7.431) 7.623 5.617 ( 0.000 1.699 7.431) 7.623 5.739 ( 0.000 -0.782 -3.842) 3.921 5.739 ( 0.000 0.782 -3.842) 3.921 5.872 ( 0.000 -0.561 -0.364) 0.669 5.872 ( 0.000 0.561 -0.364) 0.669 5.903 ( 0.000 -1.946 -3.855) 4.318 5.903 ( 0.000 1.946 -3.855) 4.318 6.171 ( 0.000 -5.826 -2.250) 6.246 6.171 ( 0.000 5.826 -2.250) 6.246 6.173 ( 0.000 -8.968 -2.625) 9.344 6.173 ( 0.000 8.968 -2.625) 9.344 10.317 ( 0.000 -1.111 2.347) 2.597 10.317 ( 0.000 1.111 2.347) 2.597 10.345 ( 0.000 -1.058 -0.471) 1.158 10.345 ( 0.000 1.058 -0.471) 1.158 10.406 ( 0.000 -0.821 3.479) 3.574 10.406 ( 0.000 0.821 3.479) 3.574 10.458 ( 0.000 -0.996 -1.522) 1.818 10.458 ( 0.000 0.996 -1.522) 1.818 10.754 ( 0.000 -0.848 3.098) 3.211 10.754 ( 0.000 0.848 3.098) 3.211 10.807 ( 0.000 -1.657 -2.046) 2.633 10.807 ( 0.000 1.657 -2.046) 2.633 11.094 ( 0.000 -0.906 2.160) 2.342 11.094 ( 0.000 0.906 2.160) 2.342 11.117 ( 0.000 -3.848 0.660) 3.904 11.117 ( 0.000 3.848 0.660) 3.904 18.984 ( 0.000 -0.094 0.691) 0.697 18.984 ( 0.000 0.094 0.691) 0.697 18.998 ( 0.000 -0.035 -0.716) 0.717 18.998 ( 0.000 0.035 -0.716) 0.717 27.210 ( 0.000 -0.389 4.326) 4.343 27.210 ( 0.000 0.389 4.326) 4.343 27.268 ( 0.000 -1.540 -0.657) 1.674 27.268 ( 0.000 1.540 -0.657) 1.674 27.409 ( 0.000 -1.620 0.477) 1.689 27.409 ( 0.000 1.620 0.477) 1.689 27.440 ( 0.000 -1.674 -1.991) 2.601 27.440 ( 0.000 1.674 -1.991) 2.601 29.281 ( 0.000 -0.097 0.311) 0.326 29.281 ( 0.000 0.097 0.311) 0.326 29.283 ( 0.000 -0.473 0.052) 0.476 29.283 ( 0.000 0.473 0.052) 0.476 29.347 ( 0.000 -0.267 1.514) 1.537 29.347 ( 0.000 0.267 1.514) 1.537 29.387 ( 0.000 -2.333 -2.219) 3.220 29.387 ( 0.000 2.333 -2.219) 3.220 30.724 ( 0.000 -0.348 1.025) 1.082 30.724 ( 0.000 0.348 1.025) 1.082 30.749 ( 0.000 -0.262 -1.419) 1.443 30.749 ( 0.000 0.262 -1.419) 1.443 30.859 ( 0.000 -1.179 1.521) 1.925 30.859 ( 0.000 1.179 1.521) 1.925 30.885 ( 0.000 -1.460 -0.959) 1.746 30.885 ( 0.000 1.460 -0.959) 1.746 35.537 ( 0.000 -0.826 12.900) 12.927 35.537 ( 0.000 0.826 12.900) 12.927 35.789 ( 0.000 -0.495 -11.386) 11.396 35.789 ( 0.000 0.495 -11.386) 11.396 36.831 ( 0.000 -0.187 3.160) 3.165 36.831 ( 0.000 0.187 3.160) 3.165 36.900 ( 0.000 -0.237 -3.479) 3.487 36.900 ( 0.000 0.237 -3.479) 3.487 48.103 ( 0.000 -0.248 0.572) 0.623 48.103 ( 0.000 0.248 0.572) 0.623 48.116 ( 0.000 -0.195 -0.646) 0.675 48.116 ( 0.000 0.195 -0.646) 0.675 48.184 ( 0.000 -0.398 1.005) 1.081 48.184 ( 0.000 0.398 1.005) 1.081 48.206 ( 0.000 -0.286 -1.092) 1.129 48.206 ( 0.000 0.286 -1.092) 1.129 51.024 ( 0.000 -3.656 43.829) 43.981 51.024 ( 0.000 3.656 43.829) 43.981 52.039 ( 0.000 -8.788 -55.401) 56.094 52.039 ( 0.000 8.788 -55.401) 56.094 85.338 ( 0.000 -2.749 1.318) 3.048 85.338 ( 0.000 2.749 1.318) 3.048 85.345 ( 0.000 -2.749 0.743) 2.847 85.345 ( 0.000 2.749 0.743) 2.847 85.899 ( 0.000 -6.841 8.066) 10.576 85.899 ( 0.000 6.841 8.066) 10.576 85.985 ( 0.000 -10.942 -0.001) 10.942 85.985 ( 0.000 10.942 -0.001) 10.942 86.380 ( 0.000 -0.410 -0.167) 0.442 86.380 ( 0.000 0.410 -0.167) 0.442 86.399 ( 0.000 -0.047 -1.799) 1.800 86.399 ( 0.000 0.047 -1.799) 1.800 86.977 ( 0.000 -5.471 8.003) 9.694 86.977 ( 0.000 5.471 8.003) 9.694 87.114 ( 0.000 -11.192 -4.800) 12.178 87.114 ( 0.000 11.192 -4.800) 12.178 ======================= Grid point 87 (35/36) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -2.814 -4.849 2.063) 5.974 0.848 ( -2.814 4.849 2.063) 5.974 1.072 ( 5.056 -5.723 4.176) 8.704 1.072 ( 5.056 5.723 4.176) 8.704 1.108 ( 0.359 -2.160 1.952) 2.933 1.108 ( 0.359 2.160 1.952) 2.933 1.201 ( 2.484 -2.068 -0.227) 3.240 1.201 ( 2.484 2.068 -0.227) 3.240 1.317 ( 1.278 -2.630 3.206) 4.339 1.317 ( 1.278 2.630 3.206) 4.339 1.409 ( -0.001 -2.572 -0.180) 2.579 1.409 ( -0.001 2.572 -0.180) 2.579 1.491 ( -0.978 -3.236 4.610) 5.716 1.491 ( -0.978 3.236 4.610) 5.716 1.562 ( -2.201 -1.130 3.399) 4.204 1.562 ( -2.201 1.130 3.399) 4.204 1.627 ( -0.568 -1.979 -4.009) 4.507 1.627 ( -0.568 1.979 -4.009) 4.507 1.708 ( -1.756 -2.794 -1.790) 3.754 1.708 ( -1.756 2.794 -1.790) 3.754 1.743 ( 1.210 -1.724 4.539) 5.004 1.743 ( 1.210 1.724 4.539) 5.004 1.827 ( 0.727 -2.790 0.015) 2.883 1.827 ( 0.727 2.790 0.015) 2.883 1.864 ( -1.087 -3.765 -4.184) 5.733 1.864 ( -1.087 3.765 -4.184) 5.733 1.920 ( 1.179 -2.998 -1.725) 3.654 1.920 ( 1.179 2.998 -1.725) 3.654 1.964 ( 2.692 -0.416 -0.524) 2.774 1.964 ( 2.692 0.416 -0.524) 2.774 2.036 ( 1.686 -2.730 -0.252) 3.218 2.036 ( 1.686 2.730 -0.252) 3.218 2.112 ( -5.787 -4.244 0.368) 7.186 2.112 ( -5.787 4.244 0.368) 7.186 2.143 ( -1.224 -2.764 -2.273) 3.783 2.143 ( -1.224 2.764 -2.273) 3.783 2.188 ( -2.073 -1.793 3.544) 4.480 2.188 ( -2.073 1.793 3.544) 4.480 2.268 ( -0.804 -2.114 -2.299) 3.225 2.268 ( -0.804 2.114 -2.299) 3.225 2.380 ( 0.742 -1.233 5.179) 5.375 2.380 ( 0.742 1.233 5.179) 5.375 2.441 ( 1.915 -1.421 2.605) 3.532 2.441 ( 1.915 1.421 2.605) 3.532 2.477 ( 0.047 -1.757 1.529) 2.330 2.477 ( 0.047 1.757 1.529) 2.330 2.511 ( 2.914 -4.684 -1.062) 5.618 2.511 ( 2.914 4.684 -1.062) 5.618 2.574 ( 1.259 -3.031 5.898) 6.749 2.574 ( 1.259 3.031 5.898) 6.749 2.638 ( -2.708 -3.616 2.541) 5.183 2.638 ( -2.708 3.616 2.541) 5.183 2.689 ( -2.475 -3.234 1.041) 4.203 2.689 ( -2.475 3.234 1.041) 4.203 2.773 ( -4.188 -3.149 -4.249) 6.746 2.773 ( -4.188 3.149 -4.249) 6.746 2.825 ( -1.423 -2.563 -4.289) 5.195 2.825 ( -1.423 2.563 -4.289) 5.195 2.918 ( -0.879 -1.948 -0.034) 2.138 2.918 ( -0.879 1.948 -0.034) 2.138 3.037 ( 4.285 -1.539 0.983) 4.658 3.037 ( 4.285 1.539 0.983) 4.658 3.064 ( 4.390 -1.978 -2.398) 5.379 3.064 ( 4.390 1.978 -2.398) 5.379 3.151 ( 1.953 -0.924 1.415) 2.583 3.151 ( 1.953 0.924 1.415) 2.583 3.187 ( 1.321 -1.570 -0.918) 2.248 3.187 ( 1.321 1.570 -0.918) 2.248 3.250 ( 1.637 -0.917 0.293) 1.899 3.250 ( 1.637 0.917 0.293) 1.899 3.311 ( -0.986 -2.224 3.615) 4.357 3.311 ( -0.986 2.224 3.615) 4.357 3.338 ( 1.249 -1.347 0.706) 1.968 3.338 ( 1.249 1.347 0.706) 1.968 3.361 ( 0.033 -0.345 -0.097) 0.360 3.361 ( 0.033 0.345 -0.097) 0.360 3.478 ( -1.118 -1.778 2.883) 3.567 3.478 ( -1.118 1.778 2.883) 3.567 3.535 ( -0.162 -2.008 -0.948) 2.227 3.535 ( -0.162 2.008 -0.948) 2.227 3.610 ( -2.908 -1.688 2.399) 4.131 3.610 ( -2.908 1.688 2.399) 4.131 3.666 ( -0.319 -1.445 3.284) 3.602 3.666 ( -0.319 1.445 3.284) 3.602 3.725 ( -0.128 -1.221 2.908) 3.157 3.725 ( -0.128 1.221 2.908) 3.157 3.743 ( 1.611 -0.472 1.361) 2.161 3.743 ( 1.611 0.472 1.361) 2.161 3.810 ( -1.330 -2.198 3.903) 4.673 3.810 ( -1.330 2.198 3.903) 4.673 3.845 ( -0.821 -1.017 -1.386) 1.905 3.845 ( -0.821 1.017 -1.386) 1.905 3.914 ( -1.084 -0.601 -5.987) 6.114 3.914 ( -1.084 0.601 -5.987) 6.114 3.963 ( -0.534 -1.339 -3.596) 3.875 3.963 ( -0.534 1.339 -3.596) 3.875 4.012 ( -0.191 -0.390 0.522) 0.679 4.012 ( -0.191 0.390 0.522) 0.679 4.094 ( 0.992 -1.440 -6.769) 6.991 4.094 ( 0.992 1.440 -6.769) 6.991 4.136 ( 0.094 -1.198 -1.504) 1.925 4.136 ( 0.094 1.198 -1.504) 1.925 4.161 ( 1.217 -1.312 -3.235) 3.697 4.161 ( 1.217 1.312 -3.235) 3.697 4.518 ( 0.602 -0.284 0.761) 1.011 4.518 ( 0.602 0.284 0.761) 1.011 4.563 ( -0.287 -0.990 -2.871) 3.050 4.563 ( -0.287 0.990 -2.871) 3.050 4.875 ( -0.521 -1.271 2.168) 2.567 4.875 ( -0.521 1.271 2.168) 2.567 4.887 ( -1.180 -3.071 0.615) 3.347 4.887 ( -1.180 3.071 0.615) 3.347 4.958 ( 0.880 -1.643 0.968) 2.101 4.958 ( 0.880 1.643 0.968) 2.101 4.978 ( -0.060 -0.763 2.048) 2.186 4.978 ( -0.060 0.763 2.048) 2.186 4.995 ( 0.840 -0.520 -1.320) 1.649 4.995 ( 0.840 0.520 -1.320) 1.649 5.070 ( -0.773 -0.971 -4.662) 4.824 5.070 ( -0.773 0.971 -4.662) 4.824 5.504 ( -0.219 -1.278 2.450) 2.772 5.504 ( -0.219 1.278 2.450) 2.772 5.590 ( 1.478 -0.683 0.933) 1.877 5.590 ( 1.478 0.683 0.933) 1.877 5.620 ( 0.483 -1.481 3.571) 3.896 5.620 ( 0.483 1.481 3.571) 3.896 5.756 ( 0.933 -0.306 -5.014) 5.109 5.756 ( 0.933 0.306 -5.014) 5.109 5.872 ( 0.264 -0.503 0.738) 0.931 5.872 ( 0.264 0.503 0.738) 0.931 5.928 ( 2.364 -2.375 -4.265) 5.424 5.928 ( 2.364 2.375 -4.265) 5.424 6.115 ( -3.956 -6.913 -2.091) 8.235 6.115 ( -3.956 6.913 -2.091) 8.235 6.179 ( -0.398 -4.632 -2.604) 5.328 6.179 ( -0.398 4.632 -2.604) 5.328 10.329 ( 1.045 -0.841 2.119) 2.508 10.329 ( 1.045 0.841 2.119) 2.508 10.352 ( 0.556 -0.933 -0.095) 1.090 10.352 ( 0.556 0.933 -0.095) 1.090 10.394 ( -1.028 -0.795 2.947) 3.221 10.394 ( -1.028 0.795 2.947) 3.221 10.450 ( -0.615 -0.674 -1.150) 1.468 10.450 ( -0.615 0.674 -1.150) 1.468 10.746 ( -0.415 -0.720 2.714) 2.838 10.746 ( -0.415 0.720 2.714) 2.838 10.826 ( 1.304 -1.262 -1.780) 2.542 10.826 ( 1.304 1.262 -1.780) 2.542 11.058 ( -2.313 -1.630 1.654) 3.278 11.058 ( -2.313 1.630 1.654) 3.278 11.126 ( 0.202 -1.730 1.665) 2.409 11.126 ( 0.202 1.730 1.665) 2.409 18.983 ( -0.023 -0.066 0.694) 0.697 18.983 ( -0.023 0.066 0.694) 0.697 18.998 ( -0.002 -0.025 -0.707) 0.707 18.998 ( -0.002 0.025 -0.707) 0.707 27.223 ( 1.154 -0.660 4.057) 4.269 27.223 ( 1.154 0.660 4.057) 4.269 27.267 ( -0.258 -1.577 0.464) 1.664 27.267 ( -0.258 1.577 0.464) 1.664 27.402 ( -0.348 -0.828 -0.202) 0.921 27.402 ( -0.348 0.828 -0.202) 0.921 27.428 ( -1.008 -1.368 -2.026) 2.645 27.428 ( -1.008 1.368 -2.026) 2.645 29.278 ( 0.117 -0.263 0.509) 0.585 29.278 ( 0.117 0.263 0.509) 0.585 29.300 ( 1.055 -0.106 0.188) 1.077 29.300 ( 1.055 0.106 0.188) 1.077 29.344 ( -0.288 -0.200 1.008) 1.067 29.344 ( -0.288 0.200 1.008) 1.067 29.381 ( -0.495 -1.902 -2.207) 2.955 29.381 ( -0.495 1.902 -2.207) 2.955 30.736 ( 1.102 -0.194 0.914) 1.444 30.736 ( 1.102 0.194 0.914) 1.444 30.758 ( 0.671 -0.174 -1.094) 1.295 30.758 ( 0.671 0.174 -1.094) 1.295 30.851 ( -0.641 -0.806 1.190) 1.573 30.851 ( -0.641 0.806 1.190) 1.573 30.873 ( -1.081 -1.149 -0.841) 1.788 30.873 ( -1.081 1.149 -0.841) 1.788 35.535 ( -0.131 -0.573 12.976) 12.989 35.535 ( -0.131 0.573 12.976) 12.989 35.788 ( -0.049 -0.348 -11.419) 11.424 35.788 ( -0.049 0.348 -11.419) 11.424 36.832 ( 0.067 -0.133 3.213) 3.216 36.832 ( 0.067 0.133 3.213) 3.216 36.903 ( 0.227 -0.157 -3.626) 3.636 36.903 ( 0.227 0.157 -3.626) 3.636 48.104 ( 0.014 -0.164 0.475) 0.503 48.104 ( 0.014 0.164 0.475) 0.503 48.119 ( 0.235 -0.168 -0.590) 0.657 48.119 ( 0.235 0.168 -0.590) 0.657 48.181 ( -0.247 -0.301 1.009) 1.081 48.181 ( -0.247 0.301 1.009) 1.081 48.206 ( -0.019 -0.203 -1.056) 1.075 48.206 ( -0.019 0.203 -1.056) 1.075 51.021 ( -0.266 -2.589 43.448) 43.526 51.021 ( -0.266 2.589 43.448) 43.526 52.023 ( -1.195 -6.223 -54.009) 54.380 52.023 ( -1.195 6.223 -54.009) 54.380 85.312 ( -0.904 -1.586 0.668) 1.944 85.312 ( -0.904 1.586 0.668) 1.944 85.388 ( 2.258 -2.750 1.571) 3.890 85.388 ( 2.258 2.750 1.571) 3.890 85.841 ( -3.353 -6.078 3.856) 7.941 85.841 ( -3.353 6.078 3.856) 7.941 86.046 ( 3.671 -7.437 4.198) 9.296 86.046 ( 3.671 7.437 4.198) 9.296 86.380 ( 0.197 -0.493 -0.093) 0.539 86.380 ( 0.197 0.493 -0.093) 0.539 86.404 ( 0.192 -0.133 -1.131) 1.155 86.404 ( 0.192 0.133 -1.131) 1.155 86.921 ( -4.263 -5.159 4.401) 8.010 86.921 ( -4.263 5.159 4.401) 8.010 87.102 ( -0.985 -6.859 -1.210) 7.034 87.102 ( -0.985 6.859 -1.210) 7.034 ======================= Grid point 89 (36/36) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.000 0.000 -0.223) 0.223 0.821 ( 0.000 0.000 -0.223) 0.223 1.110 ( 0.000 -0.000 1.534) 1.534 1.110 ( 0.000 0.000 1.534) 1.534 1.121 ( 0.000 0.000 4.907) 4.907 1.121 ( 0.000 0.000 4.907) 4.907 1.255 ( 0.000 -0.000 6.102) 6.102 1.255 ( 0.000 0.000 6.102) 6.102 1.366 ( -0.000 -0.000 -1.972) 1.972 1.366 ( 0.000 0.000 -1.972) 1.972 1.375 ( -0.000 0.000 -0.430) 0.430 1.375 ( 0.000 0.000 -0.430) 0.430 1.445 ( 0.000 0.000 7.139) 7.139 1.445 ( 0.000 0.000 7.139) 7.139 1.557 ( -0.000 0.000 0.481) 0.481 1.557 ( 0.000 0.000 0.481) 0.481 1.607 ( 0.000 0.000 -5.625) 5.625 1.607 ( 0.000 0.000 -5.625) 5.625 1.708 ( -0.000 0.000 -3.474) 3.474 1.708 ( 0.000 0.000 -3.474) 3.474 1.761 ( 0.000 0.000 6.385) 6.385 1.761 ( 0.000 0.000 6.385) 6.385 1.838 ( 0.000 -0.000 2.045) 2.045 1.838 ( -0.000 0.000 2.045) 2.045 1.856 ( -0.000 -0.000 -2.104) 2.104 1.856 ( 0.000 0.000 -2.104) 2.104 1.957 ( -0.000 0.000 -0.924) 0.924 1.957 ( 0.000 0.000 -0.924) 0.924 1.968 ( -0.000 -0.000 -0.228) 0.228 1.968 ( 0.000 0.000 -0.228) 0.228 1.999 ( 0.000 -0.000 -3.146) 3.146 1.999 ( 0.000 0.000 -3.146) 3.146 2.080 ( -0.000 0.000 0.638) 0.638 2.080 ( -0.000 0.000 0.638) 0.638 2.134 ( 0.000 0.000 -1.433) 1.433 2.134 ( 0.000 0.000 -1.433) 1.433 2.153 ( -0.000 -0.000 1.575) 1.575 2.153 ( 0.000 -0.000 1.575) 1.575 2.272 ( 0.000 0.000 -2.108) 2.108 2.272 ( 0.000 0.000 -2.108) 2.108 2.411 ( 0.000 0.000 3.486) 3.486 2.411 ( 0.000 0.000 3.486) 3.486 2.434 ( -0.000 0.000 8.180) 8.180 2.434 ( 0.000 0.000 8.180) 8.180 2.484 ( 0.000 0.000 3.250) 3.250 2.484 ( 0.000 0.000 3.250) 3.250 2.528 ( 0.000 0.000 -3.462) 3.462 2.528 ( 0.000 0.000 -3.462) 3.462 2.592 ( -0.000 0.000 0.473) 0.473 2.592 ( 0.000 0.000 0.473) 0.473 2.639 ( 0.000 -0.000 1.611) 1.611 2.639 ( -0.000 0.000 1.611) 1.611 2.644 ( -0.000 -0.000 7.607) 7.607 2.644 ( -0.000 0.000 7.607) 7.607 2.719 ( 0.000 -0.000 -5.667) 5.667 2.719 ( 0.000 0.000 -5.667) 5.667 2.808 ( 0.000 0.000 -6.022) 6.022 2.808 ( 0.000 0.000 -6.022) 6.022 2.908 ( 0.000 0.000 0.288) 0.288 2.908 ( 0.000 0.000 0.288) 0.288 3.075 ( 0.000 0.000 0.142) 0.142 3.075 ( 0.000 0.000 0.142) 0.142 3.126 ( 0.000 -0.000 -0.699) 0.699 3.126 ( 0.000 0.000 -0.699) 0.699 3.171 ( -0.000 -0.000 3.237) 3.237 3.171 ( -0.000 0.000 3.237) 3.237 3.207 ( 0.000 0.000 -0.066) 0.066 3.207 ( 0.000 0.000 -0.066) 0.066 3.287 ( -0.000 0.000 1.519) 1.519 3.287 ( 0.000 0.000 1.519) 1.519 3.302 ( 0.000 0.000 -3.747) 3.747 3.302 ( 0.000 0.000 -3.747) 3.747 3.334 ( 0.000 -0.000 2.718) 2.718 3.334 ( 0.000 0.000 2.718) 2.718 3.372 ( 0.000 0.000 -0.640) 0.640 3.372 ( 0.000 0.000 -0.640) 0.640 3.454 ( 0.000 0.000 4.036) 4.036 3.454 ( 0.000 0.000 4.036) 4.036 3.538 ( 0.000 0.000 0.873) 0.873 3.538 ( 0.000 0.000 0.873) 0.873 3.576 ( 0.000 0.000 2.078) 2.078 3.576 ( -0.000 0.000 2.078) 2.078 3.673 ( -0.000 0.000 0.190) 0.190 3.673 ( -0.000 0.000 0.190) 0.190 3.697 ( 0.000 -0.000 3.694) 3.694 3.697 ( -0.000 0.000 3.694) 3.694 3.778 ( -0.000 0.000 -0.990) 0.990 3.778 ( 0.000 0.000 -0.990) 0.990 3.782 ( -0.000 0.000 5.826) 5.826 3.782 ( 0.000 0.000 5.826) 5.826 3.845 ( 0.000 0.000 0.217) 0.217 3.845 ( 0.000 0.000 0.217) 0.217 3.898 ( 0.000 0.000 -4.935) 4.935 3.898 ( -0.000 0.000 -4.935) 4.935 3.946 ( 0.000 0.000 -3.393) 3.393 3.946 ( -0.000 0.000 -3.393) 3.393 4.015 ( 0.000 0.000 -3.172) 3.172 4.015 ( 0.000 0.000 -3.172) 3.172 4.123 ( -0.625 -1.136 -7.249) 7.364 4.123 ( 0.383 -0.696 -7.539) 7.581 4.123 ( -0.383 0.696 0.444) 0.910 4.123 ( 0.625 1.136 0.154) 1.305 4.176 ( 0.000 -0.000 -2.620) 2.620 4.176 ( 0.000 0.000 -2.620) 2.620 4.530 ( 0.000 0.000 -0.399) 0.399 4.530 ( 0.000 0.000 -0.399) 0.399 4.556 ( -0.000 0.000 -1.530) 1.530 4.556 ( 0.000 0.000 -1.530) 1.530 4.869 ( 0.000 -0.000 1.102) 1.102 4.869 ( 0.000 0.000 1.102) 1.102 4.872 ( -0.000 -0.000 0.452) 0.452 4.872 ( -0.000 0.000 0.452) 0.452 4.969 ( 0.000 -0.000 1.437) 1.437 4.969 ( 0.000 0.000 1.437) 1.437 4.976 ( 0.000 -0.000 3.154) 3.154 4.976 ( 0.000 0.000 3.154) 3.154 5.008 ( -0.000 -0.000 -2.049) 2.049 5.008 ( -0.000 0.000 -2.049) 2.049 5.059 ( 0.000 0.000 -4.260) 4.260 5.059 ( 0.000 0.000 -4.260) 4.260 5.503 ( 0.000 0.000 3.052) 3.052 5.503 ( 0.000 0.000 3.052) 3.052 5.603 ( 0.000 0.000 6.600) 6.600 5.603 ( 0.000 0.000 6.600) 6.600 5.632 ( 0.000 -0.000 -2.020) 2.020 5.632 ( 0.000 0.000 -2.020) 2.020 5.765 ( 0.000 0.000 -7.143) 7.143 5.765 ( 0.000 0.000 -7.143) 7.143 5.875 ( -0.000 0.000 2.512) 2.512 5.875 ( 0.000 0.000 2.512) 2.512 5.989 ( -0.000 0.000 -7.559) 7.559 5.989 ( 0.000 0.000 -7.559) 7.559 6.037 ( -0.000 -0.000 0.930) 0.930 6.037 ( 0.000 0.000 0.930) 0.930 6.172 ( 0.000 0.000 -2.704) 2.704 6.172 ( 0.000 0.000 -2.704) 2.704 10.346 ( 0.000 0.000 1.412) 1.412 10.346 ( 0.000 0.000 1.412) 1.412 10.368 ( -0.000 -0.000 0.397) 0.397 10.368 ( -0.000 0.000 0.397) 0.397 10.369 ( 0.000 -0.000 2.692) 2.692 10.369 ( 0.000 0.000 2.692) 2.692 10.441 ( 0.000 0.000 -0.687) 0.687 10.441 ( 0.000 0.000 -0.687) 0.687 10.742 ( 0.000 0.000 2.659) 2.659 10.742 ( 0.000 0.000 2.659) 2.659 10.843 ( 0.000 0.000 -1.965) 1.965 10.843 ( 0.000 0.000 -1.965) 1.965 11.028 ( 0.000 0.000 1.982) 1.982 11.028 ( 0.000 0.000 1.982) 1.982 11.127 ( 0.000 0.000 1.941) 1.941 11.127 ( 0.000 0.000 1.941) 1.941 18.983 ( 0.000 0.000 0.698) 0.698 18.983 ( 0.000 0.000 0.698) 0.698 18.998 ( 0.000 0.000 -0.699) 0.699 18.998 ( 0.000 0.000 -0.699) 0.699 27.249 ( -0.000 -0.000 3.143) 3.143 27.249 ( 0.000 0.000 3.143) 3.143 27.253 ( 0.000 -0.000 2.535) 2.535 27.253 ( -0.000 0.000 2.535) 2.535 27.405 ( -0.000 -0.000 -1.793) 1.793 27.405 ( 0.000 0.000 -1.793) 1.793 27.409 ( 0.000 -0.000 -1.464) 1.464 27.409 ( 0.000 0.000 -1.464) 1.464 29.280 ( 0.000 0.000 0.689) 0.689 29.280 ( 0.000 0.000 0.689) 0.689 29.314 ( 0.000 0.000 1.143) 1.143 29.314 ( 0.000 0.000 1.143) 1.143 29.340 ( 0.000 -0.000 -0.388) 0.388 29.340 ( -0.000 0.000 -0.388) 0.388 29.373 ( -0.000 -0.000 -2.097) 2.097 29.373 ( 0.000 0.000 -2.097) 2.097 30.758 ( 0.000 -0.000 -0.066) 0.066 30.758 ( 0.000 0.000 -0.066) 0.066 30.761 ( -0.000 -0.000 0.522) 0.522 30.761 ( -0.000 0.000 0.522) 0.522 30.847 ( -0.000 -0.000 -0.324) 0.324 30.847 ( 0.000 0.000 -0.324) 0.324 30.852 ( -0.000 0.000 0.037) 0.037 30.852 ( 0.000 0.000 0.037) 0.037 35.534 ( 0.000 0.000 13.048) 13.048 35.534 ( 0.000 0.000 13.048) 13.048 35.787 ( 0.000 0.000 -11.452) 11.452 35.787 ( 0.000 0.000 -11.452) 11.452 36.833 ( 0.000 0.000 3.265) 3.265 36.833 ( 0.000 0.000 3.265) 3.265 36.906 ( 0.000 0.000 -3.769) 3.769 36.906 ( 0.000 0.000 -3.769) 3.769 48.104 ( 0.000 0.000 0.412) 0.412 48.104 ( 0.000 0.000 0.412) 0.412 48.122 ( 0.000 0.000 -0.581) 0.581 48.122 ( 0.000 0.000 -0.581) 0.581 48.178 ( 0.000 0.000 1.040) 1.040 48.178 ( 0.000 0.000 1.040) 1.040 48.206 ( 0.000 0.000 -1.032) 1.032 48.206 ( 0.000 0.000 -1.032) 1.032 51.017 ( 0.000 0.000 43.070) 43.070 51.017 ( 0.000 0.000 43.070) 43.070 52.008 ( 0.000 0.000 -52.648) 52.648 52.008 ( 0.000 0.000 -52.648) 52.648 85.302 ( 0.000 0.000 0.523) 0.523 85.302 ( 0.000 0.000 0.523) 0.523 85.416 ( 0.000 0.000 1.961) 1.961 85.416 ( 0.000 0.000 1.961) 1.961 85.801 ( 0.000 0.000 2.357) 2.357 85.801 ( 0.000 0.000 2.357) 2.357 86.091 ( 0.000 0.000 5.585) 5.585 86.091 ( 0.000 0.000 5.585) 5.585 86.388 ( -0.000 0.000 -0.671) 0.671 86.388 ( -0.000 0.000 -0.671) 0.671 86.402 ( 0.000 0.000 0.547) 0.547 86.402 ( 0.000 0.000 0.547) 0.547 86.864 ( 0.000 0.000 1.907) 1.907 86.864 ( 0.000 0.000 1.907) 1.907 87.088 ( 0.000 0.000 0.898) 0.898 87.088 ( 0.000 0.000 0.898) 0.898 =================== 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 3/24192 10.0 6.063 4.531 7.587 0.000 0.000 0.000 3/24192 20.0 1.631 1.383 2.626 0.000 0.000 0.000 3/24192 30.0 0.837 0.754 1.424 0.000 0.000 0.000 3/24192 40.0 0.544 0.509 0.953 0.000 0.000 0.000 3/24192 50.0 0.400 0.384 0.718 0.000 0.000 0.000 3/24192 60.0 0.317 0.309 0.583 0.000 0.000 0.000 3/24192 70.0 0.263 0.259 0.497 0.000 0.000 0.000 3/24192 80.0 0.225 0.224 0.441 0.000 0.000 0.000 3/24192 90.0 0.198 0.198 0.401 0.000 0.000 0.000 3/24192 100.0 0.177 0.178 0.372 0.000 0.000 0.000 3/24192 110.0 0.160 0.162 0.350 0.000 0.000 0.000 3/24192 120.0 0.146 0.149 0.331 0.000 0.000 0.000 3/24192 130.0 0.135 0.138 0.315 0.000 0.000 0.000 3/24192 140.0 0.125 0.129 0.300 0.000 0.000 0.000 3/24192 150.0 0.117 0.120 0.285 0.000 0.000 0.000 3/24192 160.0 0.109 0.113 0.271 0.000 0.000 0.000 3/24192 170.0 0.103 0.107 0.257 0.000 0.000 0.000 3/24192 180.0 0.097 0.101 0.243 0.000 0.000 0.000 3/24192 190.0 0.092 0.096 0.230 0.000 0.000 0.000 3/24192 200.0 0.088 0.091 0.218 0.000 0.000 0.000 3/24192 210.0 0.083 0.087 0.207 0.000 0.000 0.000 3/24192 220.0 0.080 0.083 0.196 0.000 0.000 0.000 3/24192 230.0 0.076 0.079 0.187 0.000 0.000 0.000 3/24192 240.0 0.073 0.076 0.178 0.000 0.000 0.000 3/24192 250.0 0.070 0.073 0.170 0.000 0.000 0.000 3/24192 260.0 0.068 0.070 0.163 0.000 0.000 0.000 3/24192 270.0 0.065 0.068 0.156 0.000 0.000 0.000 3/24192 280.0 0.063 0.065 0.151 0.000 0.000 0.000 3/24192 290.0 0.061 0.063 0.145 0.000 0.000 0.000 3/24192 300.0 0.059 0.061 0.141 0.000 0.000 0.000 3/24192 310.0 0.057 0.059 0.136 0.000 0.000 0.000 3/24192 320.0 0.055 0.057 0.132 0.000 0.000 0.000 3/24192 330.0 0.053 0.056 0.129 0.000 0.000 0.000 3/24192 340.0 0.052 0.054 0.126 0.000 0.000 0.000 3/24192 350.0 0.050 0.053 0.123 0.000 0.000 0.000 3/24192 360.0 0.049 0.051 0.120 0.000 0.000 0.000 3/24192 370.0 0.048 0.050 0.118 0.000 0.000 0.000 3/24192 380.0 0.047 0.049 0.116 0.000 0.000 0.000 3/24192 390.0 0.046 0.048 0.114 0.000 0.000 0.000 3/24192 400.0 0.044 0.047 0.112 0.000 0.000 0.000 3/24192 410.0 0.043 0.046 0.111 0.000 0.000 0.000 3/24192 420.0 0.042 0.045 0.109 0.000 0.000 0.000 3/24192 430.0 0.042 0.044 0.108 0.000 0.000 0.000 3/24192 440.0 0.041 0.043 0.107 0.000 0.000 0.000 3/24192 450.0 0.040 0.042 0.106 0.000 0.000 0.000 3/24192 460.0 0.039 0.041 0.105 0.000 0.000 0.000 3/24192 470.0 0.038 0.040 0.104 0.000 0.000 0.000 3/24192 480.0 0.038 0.040 0.103 0.000 0.000 0.000 3/24192 490.0 0.037 0.039 0.102 0.000 0.000 0.000 3/24192 500.0 0.036 0.038 0.101 0.000 0.000 0.000 3/24192 510.0 0.036 0.038 0.101 0.000 0.000 0.000 3/24192 520.0 0.035 0.037 0.100 0.000 0.000 0.000 3/24192 530.0 0.034 0.037 0.099 0.000 0.000 0.000 3/24192 540.0 0.034 0.036 0.099 0.000 0.000 0.000 3/24192 550.0 0.033 0.035 0.098 0.000 0.000 0.000 3/24192 560.0 0.033 0.035 0.098 0.000 0.000 0.000 3/24192 570.0 0.032 0.034 0.097 0.000 0.000 0.000 3/24192 580.0 0.032 0.034 0.097 0.000 0.000 0.000 3/24192 590.0 0.031 0.034 0.096 0.000 0.000 0.000 3/24192 600.0 0.031 0.033 0.096 0.000 0.000 0.000 3/24192 610.0 0.030 0.033 0.095 0.000 0.000 0.000 3/24192 620.0 0.030 0.032 0.095 0.000 0.000 0.000 3/24192 630.0 0.030 0.032 0.095 0.000 0.000 0.000 3/24192 640.0 0.029 0.031 0.094 0.000 0.000 0.000 3/24192 650.0 0.029 0.031 0.094 0.000 0.000 0.000 3/24192 660.0 0.028 0.031 0.093 0.000 0.000 0.000 3/24192 670.0 0.028 0.030 0.093 0.000 0.000 0.000 3/24192 680.0 0.028 0.030 0.093 0.000 0.000 0.000 3/24192 690.0 0.027 0.030 0.092 0.000 0.000 0.000 3/24192 700.0 0.027 0.029 0.092 0.000 0.000 0.000 3/24192 710.0 0.027 0.029 0.091 0.000 0.000 0.000 3/24192 720.0 0.026 0.029 0.091 0.000 0.000 0.000 3/24192 730.0 0.026 0.028 0.091 0.000 0.000 0.000 3/24192 740.0 0.026 0.028 0.090 0.000 0.000 0.000 3/24192 750.0 0.025 0.028 0.090 0.000 0.000 0.000 3/24192 760.0 0.025 0.027 0.090 0.000 0.000 0.000 3/24192 770.0 0.025 0.027 0.089 0.000 0.000 0.000 3/24192 780.0 0.025 0.027 0.089 0.000 0.000 0.000 3/24192 790.0 0.024 0.027 0.088 0.000 0.000 0.000 3/24192 800.0 0.024 0.026 0.088 0.000 0.000 0.000 3/24192 810.0 0.024 0.026 0.088 0.000 0.000 0.000 3/24192 820.0 0.024 0.026 0.087 0.000 0.000 0.000 3/24192 830.0 0.023 0.026 0.087 0.000 0.000 0.000 3/24192 840.0 0.023 0.025 0.086 0.000 0.000 0.000 3/24192 850.0 0.023 0.025 0.086 0.000 0.000 0.000 3/24192 860.0 0.023 0.025 0.086 0.000 0.000 0.000 3/24192 870.0 0.022 0.025 0.085 0.000 0.000 0.000 3/24192 880.0 0.022 0.024 0.085 0.000 0.000 0.000 3/24192 890.0 0.022 0.024 0.084 0.000 0.000 0.000 3/24192 900.0 0.022 0.024 0.084 0.000 0.000 0.000 3/24192 910.0 0.022 0.024 0.084 0.000 0.000 0.000 3/24192 920.0 0.021 0.024 0.083 0.000 0.000 0.000 3/24192 930.0 0.021 0.023 0.083 0.000 0.000 0.000 3/24192 940.0 0.021 0.023 0.082 0.000 0.000 0.000 3/24192 950.0 0.021 0.023 0.082 0.000 0.000 0.000 3/24192 960.0 0.021 0.023 0.082 0.000 0.000 0.000 3/24192 970.0 0.020 0.023 0.081 0.000 0.000 0.000 3/24192 980.0 0.020 0.022 0.081 0.000 0.000 0.000 3/24192 990.0 0.020 0.022 0.081 0.000 0.000 0.000 3/24192 1000.0 0.020 0.022 0.080 0.000 0.000 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m447.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:12:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|