----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:32:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.280643860070742 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): *1 Ba 0.41507343189163 0.31939631053783 0.65416335136118 137.327 *2 Ba 0.10557535712645 0.12765652658691 0.85637202076684 137.327 *3 Ba 0.76807134679967 0.31082518646934 0.00671174757545 137.327 4 Ba 0.58492656810837 0.68060368946217 0.34583664863882 137.327 5 Ba 0.76807134679967 0.18917481353066 0.50671174757545 137.327 6 Ba 0.89442464287355 0.62765652658691 0.64362797923316 137.327 7 Ba 0.23192865320033 0.68917481353066 0.99328825242455 137.327 8 Ba 0.23192865320033 0.81082518646934 0.49328825242455 137.327 9 Ba 0.89442464287355 0.87234347341309 0.14362797923316 137.327 10 Ba 0.58492656810837 0.81939631053783 0.84583664863882 137.327 11 Ba 0.41507343189163 0.18060368946218 0.15416335136118 137.327 12 Ba 0.10557535712645 0.37234347341309 0.35637202076684 137.327 *13 Na 0.39306901750838 0.47858999344530 0.83102891570207 22.990 14 Na 0.60693098249162 0.97858999344530 0.66897108429793 22.990 *15 Na 0.10520823524227 0.52320018717054 0.17010362651186 22.990 16 Na 0.10520823524227 0.97679981282946 0.67010362651185 22.990 17 Na 0.39306901750838 0.02141000655470 0.33102891570207 22.990 18 Na 0.89479176475773 0.47679981282946 0.82989637348815 22.990 19 Na 0.89479176475773 0.02320018717054 0.32989637348814 22.990 20 Na 0.60693098249162 0.52141000655470 0.16897108429793 22.990 *21 C 0.56036106764304 0.32603703268481 0.30910122422788 12.011 22 C 0.43963893235696 0.82603703268481 0.19089877577212 12.011 *23 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 24 C 0.43963893235696 0.67396296731519 0.69089877577212 12.011 *25 C 0.74304591976260 0.89530807738024 0.49763001813162 12.011 *26 C 0.95578732661138 0.22213408641576 0.20004641245961 12.011 27 C 0.95578732661138 0.27786591358424 0.70004641245961 12.011 28 C 0.25695408023740 0.10469192261976 0.50236998186838 12.011 29 C 0.74304591976260 0.60469192261976 0.99763001813162 12.011 30 C 0.25695408023740 0.39530807738024 0.00236998186838 12.011 *31 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 32 C 0.04421267338862 0.72213408641576 0.29995358754039 12.011 33 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 34 C 0.04421267338862 0.77786591358424 0.79995358754039 12.011 35 C 0.56036106764304 0.17396296731519 0.80910122422788 12.011 36 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 *37 N 0.27387090848546 0.37854675343531 0.93539599887611 14.007 *38 N 0.84555543700368 0.17372063806518 0.67573187466131 14.007 *39 N 0.06706551444580 0.38287424246427 0.51090665077692 14.007 *40 N 0.60966385389046 0.07782329671454 0.05385173966923 14.007 41 N 0.93293448555420 0.61712575753573 0.48909334922308 14.007 *42 N 0.93087103409381 0.62047509205346 0.27256625101368 14.007 43 N 0.06706551444580 0.11712575753573 0.01090665077692 14.007 *44 N 0.55699941554702 0.92394853909752 0.22354324298100 14.007 *45 N 0.32592446638788 0.77524659392961 0.66209635316642 14.007 46 N 0.44300058445298 0.07605146090248 0.77645675701900 14.007 *47 N 0.23934863307772 0.41908725871639 0.06885673029003 14.007 48 N 0.06912896590619 0.12047509205346 0.22743374898632 14.007 49 N 0.44300058445298 0.42394853909752 0.27645675701900 14.007 50 N 0.60966385389046 0.42217670328546 0.55385173966923 14.007 51 N 0.93087103409381 0.87952490794654 0.77256625101368 14.007 52 N 0.93293448555420 0.88287424246427 0.98909334922308 14.007 53 N 0.15444456299632 0.82627936193482 0.32426812533869 14.007 54 N 0.72612909151454 0.62145324656469 0.06460400112389 14.007 55 N 0.55699941554702 0.57605146090248 0.72354324298100 14.007 56 N 0.67407553361212 0.22475340607039 0.33790364683358 14.007 57 N 0.06912896590619 0.37952490794654 0.72743374898632 14.007 58 N 0.39033614610954 0.92217670328546 0.94614826033077 14.007 59 N 0.32592446638788 0.72475340607039 0.16209635316642 14.007 60 N 0.67407553361212 0.27524659392961 0.83790364683358 14.007 61 N 0.23934863307772 0.08091274128361 0.56885673029003 14.007 62 N 0.76065136692228 0.58091274128361 0.93114326970997 14.007 63 N 0.39033614610954 0.57782329671454 0.44614826033077 14.007 64 N 0.84555543700368 0.32627936193482 0.17573187466131 14.007 65 N 0.72612909151454 0.87854675343531 0.56460400112389 14.007 66 N 0.27387090848546 0.12145324656469 0.43539599887611 14.007 67 N 0.76065136692228 0.91908725871639 0.43114326970997 14.007 68 N 0.15444456299632 0.67372063806518 0.82426812533869 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.280643860070742 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): *1 Ba 0.41507343189163 0.31939631053783 0.65416335136118 137.327 > 1 *2 Ba 0.10557535712645 0.12765652658691 0.85637202076684 137.327 > 2 *3 Ba 0.76807134679967 0.31082518646934 0.00671174757545 137.327 > 3 4 Ba 0.58492656810837 0.68060368946217 0.34583664863882 137.327 > 4 5 Ba 0.76807134679967 0.18917481353066 0.50671174757545 137.327 > 5 6 Ba 0.89442464287355 0.62765652658691 0.64362797923316 137.327 > 6 7 Ba 0.23192865320033 0.68917481353066 0.99328825242455 137.327 > 7 8 Ba 0.23192865320033 0.81082518646934 0.49328825242455 137.327 > 8 9 Ba 0.89442464287355 0.87234347341309 0.14362797923316 137.327 > 9 10 Ba 0.58492656810837 0.81939631053783 0.84583664863882 137.327 > 10 11 Ba 0.41507343189163 0.18060368946218 0.15416335136118 137.327 > 11 12 Ba 0.10557535712645 0.37234347341309 0.35637202076684 137.327 > 12 *13 Na 0.39306901750838 0.47858999344530 0.83102891570207 22.990 > 13 14 Na 0.60693098249162 0.97858999344530 0.66897108429793 22.990 > 14 *15 Na 0.10520823524227 0.52320018717054 0.17010362651186 22.990 > 15 16 Na 0.10520823524227 0.97679981282946 0.67010362651185 22.990 > 16 17 Na 0.39306901750838 0.02141000655470 0.33102891570207 22.990 > 17 18 Na 0.89479176475773 0.47679981282946 0.82989637348815 22.990 > 18 19 Na 0.89479176475773 0.02320018717054 0.32989637348814 22.990 > 19 20 Na 0.60693098249162 0.52141000655470 0.16897108429793 22.990 > 20 *21 C 0.56036106764304 0.32603703268481 0.30910122422788 12.011 > 21 22 C 0.43963893235696 0.82603703268481 0.19089877577212 12.011 > 22 *23 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 23 24 C 0.43963893235696 0.67396296731519 0.69089877577212 12.011 > 24 *25 C 0.74304591976260 0.89530807738024 0.49763001813162 12.011 > 25 *26 C 0.95578732661138 0.22213408641576 0.20004641245961 12.011 > 26 27 C 0.95578732661138 0.27786591358424 0.70004641245961 12.011 > 27 28 C 0.25695408023740 0.10469192261976 0.50236998186838 12.011 > 28 29 C 0.74304591976260 0.60469192261976 0.99763001813162 12.011 > 29 30 C 0.25695408023740 0.39530807738024 0.00236998186838 12.011 > 30 *31 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 31 32 C 0.04421267338862 0.72213408641576 0.29995358754039 12.011 > 32 33 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 33 34 C 0.04421267338862 0.77786591358424 0.79995358754039 12.011 > 34 35 C 0.56036106764304 0.17396296731519 0.80910122422788 12.011 > 35 36 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 36 *37 N 0.27387090848546 0.37854675343531 0.93539599887611 14.007 > 37 *38 N 0.84555543700368 0.17372063806518 0.67573187466131 14.007 > 38 *39 N 0.06706551444580 0.38287424246427 0.51090665077692 14.007 > 39 *40 N 0.60966385389046 0.07782329671454 0.05385173966923 14.007 > 40 41 N 0.93293448555420 0.61712575753573 0.48909334922308 14.007 > 41 *42 N 0.93087103409381 0.62047509205346 0.27256625101368 14.007 > 42 43 N 0.06706551444580 0.11712575753573 0.01090665077692 14.007 > 43 *44 N 0.55699941554702 0.92394853909752 0.22354324298100 14.007 > 44 *45 N 0.32592446638788 0.77524659392961 0.66209635316642 14.007 > 45 46 N 0.44300058445298 0.07605146090248 0.77645675701900 14.007 > 46 *47 N 0.23934863307772 0.41908725871639 0.06885673029003 14.007 > 47 48 N 0.06912896590619 0.12047509205346 0.22743374898632 14.007 > 48 49 N 0.44300058445298 0.42394853909752 0.27645675701900 14.007 > 49 50 N 0.60966385389046 0.42217670328546 0.55385173966923 14.007 > 50 51 N 0.93087103409381 0.87952490794654 0.77256625101368 14.007 > 51 52 N 0.93293448555420 0.88287424246427 0.98909334922308 14.007 > 52 53 N 0.15444456299632 0.82627936193482 0.32426812533869 14.007 > 53 54 N 0.72612909151454 0.62145324656469 0.06460400112389 14.007 > 54 55 N 0.55699941554702 0.57605146090248 0.72354324298100 14.007 > 55 56 N 0.67407553361212 0.22475340607039 0.33790364683358 14.007 > 56 57 N 0.06912896590619 0.37952490794654 0.72743374898632 14.007 > 57 58 N 0.39033614610954 0.92217670328546 0.94614826033077 14.007 > 58 59 N 0.32592446638788 0.72475340607039 0.16209635316642 14.007 > 59 60 N 0.67407553361212 0.27524659392961 0.83790364683358 14.007 > 60 61 N 0.23934863307772 0.08091274128361 0.56885673029003 14.007 > 61 62 N 0.76065136692228 0.58091274128361 0.93114326970997 14.007 > 62 63 N 0.39033614610954 0.57782329671454 0.44614826033077 14.007 > 63 64 N 0.84555543700368 0.32627936193482 0.17573187466131 14.007 > 64 65 N 0.72612909151454 0.87854675343531 0.56460400112389 14.007 > 65 66 N 0.27387090848546 0.12145324656469 0.43539599887611 14.007 > 66 67 N 0.76065136692228 0.91908725871639 0.43114326970997 14.007 > 67 68 N 0.15444456299632 0.67372063806518 0.82426812533869 14.007 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.561287720141484 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): *1 Ba 0.20753671594581 0.31939631053783 0.65416335136118 137.327 > 1 2 Ba 0.70753671594582 0.31939631053783 0.65416335136118 137.327 > 1 *3 Ba 0.05278767856323 0.12765652658691 0.85637202076684 137.327 > 2 4 Ba 0.55278767856323 0.12765652658691 0.85637202076684 137.327 > 2 *5 Ba 0.38403567339983 0.31082518646934 0.00671174757545 137.327 > 3 6 Ba 0.88403567339983 0.31082518646934 0.00671174757545 137.327 > 3 7 Ba 0.29246328405418 0.68060368946217 0.34583664863882 137.327 > 4 8 Ba 0.79246328405418 0.68060368946217 0.34583664863882 137.327 > 4 9 Ba 0.38403567339983 0.18917481353066 0.50671174757545 137.327 > 5 10 Ba 0.88403567339983 0.18917481353066 0.50671174757545 137.327 > 5 11 Ba 0.44721232143677 0.62765652658691 0.64362797923316 137.327 > 6 12 Ba 0.94721232143677 0.62765652658691 0.64362797923316 137.327 > 6 13 Ba 0.11596432660017 0.68917481353066 0.99328825242455 137.327 > 7 14 Ba 0.61596432660017 0.68917481353066 0.99328825242455 137.327 > 7 15 Ba 0.11596432660017 0.81082518646934 0.49328825242455 137.327 > 8 16 Ba 0.61596432660017 0.81082518646934 0.49328825242455 137.327 > 8 17 Ba 0.44721232143677 0.87234347341309 0.14362797923316 137.327 > 9 18 Ba 0.94721232143677 0.87234347341309 0.14362797923316 137.327 > 9 19 Ba 0.29246328405418 0.81939631053783 0.84583664863882 137.327 > 10 20 Ba 0.79246328405418 0.81939631053783 0.84583664863882 137.327 > 10 21 Ba 0.20753671594581 0.18060368946218 0.15416335136118 137.327 > 11 22 Ba 0.70753671594582 0.18060368946218 0.15416335136118 137.327 > 11 23 Ba 0.05278767856323 0.37234347341309 0.35637202076684 137.327 > 12 24 Ba 0.55278767856323 0.37234347341309 0.35637202076684 137.327 > 12 *25 Na 0.19653450875419 0.47858999344530 0.83102891570207 22.990 > 13 26 Na 0.69653450875419 0.47858999344530 0.83102891570207 22.990 > 13 27 Na 0.30346549124581 0.97858999344530 0.66897108429793 22.990 > 14 28 Na 0.80346549124581 0.97858999344530 0.66897108429793 22.990 > 14 *29 Na 0.05260411762114 0.52320018717054 0.17010362651186 22.990 > 15 30 Na 0.55260411762114 0.52320018717054 0.17010362651186 22.990 > 15 31 Na 0.05260411762114 0.97679981282946 0.67010362651185 22.990 > 16 32 Na 0.55260411762114 0.97679981282946 0.67010362651185 22.990 > 16 33 Na 0.19653450875419 0.02141000655470 0.33102891570207 22.990 > 17 34 Na 0.69653450875419 0.02141000655470 0.33102891570207 22.990 > 17 35 Na 0.44739588237886 0.47679981282946 0.82989637348815 22.990 > 18 36 Na 0.94739588237886 0.47679981282946 0.82989637348815 22.990 > 18 37 Na 0.44739588237886 0.02320018717054 0.32989637348814 22.990 > 19 38 Na 0.94739588237886 0.02320018717054 0.32989637348814 22.990 > 19 39 Na 0.30346549124581 0.52141000655470 0.16897108429793 22.990 > 20 40 Na 0.80346549124581 0.52141000655470 0.16897108429793 22.990 > 20 *41 C 0.28018053382152 0.32603703268481 0.30910122422788 12.011 > 21 42 C 0.78018053382152 0.32603703268481 0.30910122422788 12.011 > 21 43 C 0.21981946617848 0.82603703268481 0.19089877577212 12.011 > 22 44 C 0.71981946617848 0.82603703268481 0.19089877577212 12.011 > 22 *45 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 23 46 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 23 47 C 0.21981946617848 0.67396296731519 0.69089877577212 12.011 > 24 48 C 0.71981946617848 0.67396296731519 0.69089877577212 12.011 > 24 *49 C 0.37152295988130 0.89530807738024 0.49763001813162 12.011 > 25 50 C 0.87152295988130 0.89530807738024 0.49763001813162 12.011 > 25 *51 C 0.47789366330569 0.22213408641576 0.20004641245961 12.011 > 26 52 C 0.97789366330569 0.22213408641576 0.20004641245961 12.011 > 26 53 C 0.47789366330569 0.27786591358424 0.70004641245961 12.011 > 27 54 C 0.97789366330569 0.27786591358424 0.70004641245961 12.011 > 27 55 C 0.12847704011870 0.10469192261976 0.50236998186838 12.011 > 28 56 C 0.62847704011870 0.10469192261976 0.50236998186838 12.011 > 28 57 C 0.37152295988130 0.60469192261976 0.99763001813162 12.011 > 29 58 C 0.87152295988130 0.60469192261976 0.99763001813162 12.011 > 29 59 C 0.12847704011870 0.39530807738024 0.00236998186838 12.011 > 30 60 C 0.62847704011870 0.39530807738024 0.00236998186838 12.011 > 30 *61 C 0.25000000000000 0.00000000000000 0.00000000000000 12.011 > 31 62 C 0.75000000000000 0.00000000000000 0.00000000000000 12.011 > 31 63 C 0.02210633669431 0.72213408641576 0.29995358754039 12.011 > 32 64 C 0.52210633669431 0.72213408641576 0.29995358754039 12.011 > 32 65 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 33 66 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 33 67 C 0.02210633669431 0.77786591358424 0.79995358754039 12.011 > 34 68 C 0.52210633669431 0.77786591358424 0.79995358754039 12.011 > 34 69 C 0.28018053382152 0.17396296731519 0.80910122422788 12.011 > 35 70 C 0.78018053382152 0.17396296731519 0.80910122422788 12.011 > 35 71 C 0.25000000000000 0.50000000000000 0.50000000000000 12.011 > 36 72 C 0.75000000000000 0.50000000000000 0.50000000000000 12.011 > 36 *73 N 0.13693545424273 0.37854675343531 0.93539599887611 14.007 > 37 74 N 0.63693545424273 0.37854675343531 0.93539599887611 14.007 > 37 *75 N 0.42277771850184 0.17372063806518 0.67573187466131 14.007 > 38 76 N 0.92277771850184 0.17372063806518 0.67573187466131 14.007 > 38 *77 N 0.03353275722290 0.38287424246427 0.51090665077692 14.007 > 39 78 N 0.53353275722290 0.38287424246427 0.51090665077692 14.007 > 39 *79 N 0.30483192694523 0.07782329671454 0.05385173966923 14.007 > 40 80 N 0.80483192694523 0.07782329671454 0.05385173966923 14.007 > 40 81 N 0.46646724277710 0.61712575753573 0.48909334922308 14.007 > 41 82 N 0.96646724277710 0.61712575753573 0.48909334922308 14.007 > 41 *83 N 0.46543551704691 0.62047509205346 0.27256625101368 14.007 > 42 84 N 0.96543551704691 0.62047509205346 0.27256625101368 14.007 > 42 85 N 0.03353275722290 0.11712575753573 0.01090665077692 14.007 > 43 86 N 0.53353275722290 0.11712575753573 0.01090665077692 14.007 > 43 *87 N 0.27849970777351 0.92394853909752 0.22354324298100 14.007 > 44 88 N 0.77849970777351 0.92394853909752 0.22354324298100 14.007 > 44 *89 N 0.16296223319394 0.77524659392961 0.66209635316642 14.007 > 45 90 N 0.66296223319394 0.77524659392961 0.66209635316642 14.007 > 45 91 N 0.22150029222649 0.07605146090248 0.77645675701900 14.007 > 46 92 N 0.72150029222649 0.07605146090248 0.77645675701900 14.007 > 46 *93 N 0.11967431653886 0.41908725871639 0.06885673029003 14.007 > 47 94 N 0.61967431653886 0.41908725871639 0.06885673029003 14.007 > 47 95 N 0.03456448295309 0.12047509205346 0.22743374898632 14.007 > 48 96 N 0.53456448295309 0.12047509205346 0.22743374898632 14.007 > 48 97 N 0.22150029222649 0.42394853909752 0.27645675701900 14.007 > 49 98 N 0.72150029222649 0.42394853909752 0.27645675701900 14.007 > 49 99 N 0.30483192694523 0.42217670328546 0.55385173966923 14.007 > 50 100 N 0.80483192694523 0.42217670328546 0.55385173966923 14.007 > 50 101 N 0.46543551704691 0.87952490794654 0.77256625101368 14.007 > 51 102 N 0.96543551704691 0.87952490794654 0.77256625101368 14.007 > 51 103 N 0.46646724277710 0.88287424246427 0.98909334922308 14.007 > 52 104 N 0.96646724277710 0.88287424246427 0.98909334922308 14.007 > 52 105 N 0.07722228149816 0.82627936193482 0.32426812533869 14.007 > 53 106 N 0.57722228149816 0.82627936193482 0.32426812533869 14.007 > 53 107 N 0.36306454575727 0.62145324656469 0.06460400112389 14.007 > 54 108 N 0.86306454575727 0.62145324656469 0.06460400112389 14.007 > 54 109 N 0.27849970777351 0.57605146090248 0.72354324298100 14.007 > 55 110 N 0.77849970777351 0.57605146090248 0.72354324298100 14.007 > 55 111 N 0.33703776680606 0.22475340607039 0.33790364683358 14.007 > 56 112 N 0.83703776680606 0.22475340607039 0.33790364683358 14.007 > 56 113 N 0.03456448295309 0.37952490794654 0.72743374898632 14.007 > 57 114 N 0.53456448295309 0.37952490794654 0.72743374898632 14.007 > 57 115 N 0.19516807305477 0.92217670328546 0.94614826033077 14.007 > 58 116 N 0.69516807305477 0.92217670328546 0.94614826033077 14.007 > 58 117 N 0.16296223319394 0.72475340607039 0.16209635316642 14.007 > 59 118 N 0.66296223319394 0.72475340607039 0.16209635316642 14.007 > 59 119 N 0.33703776680606 0.27524659392961 0.83790364683358 14.007 > 60 120 N 0.83703776680606 0.27524659392961 0.83790364683358 14.007 > 60 121 N 0.11967431653886 0.08091274128361 0.56885673029003 14.007 > 61 122 N 0.61967431653886 0.08091274128361 0.56885673029003 14.007 > 61 123 N 0.38032568346114 0.58091274128361 0.93114326970997 14.007 > 62 124 N 0.88032568346114 0.58091274128361 0.93114326970997 14.007 > 62 125 N 0.19516807305477 0.57782329671454 0.44614826033077 14.007 > 63 126 N 0.69516807305477 0.57782329671454 0.44614826033077 14.007 > 63 127 N 0.42277771850184 0.32627936193482 0.17573187466131 14.007 > 64 128 N 0.92277771850184 0.32627936193482 0.17573187466131 14.007 > 64 129 N 0.36306454575727 0.87854675343531 0.56460400112389 14.007 > 65 130 N 0.86306454575727 0.87854675343531 0.56460400112389 14.007 > 65 131 N 0.13693545424273 0.12145324656469 0.43539599887611 14.007 > 66 132 N 0.63693545424273 0.12145324656469 0.43539599887611 14.007 > 66 133 N 0.38032568346114 0.91908725871639 0.43114326970997 14.007 > 67 134 N 0.88032568346114 0.91908725871639 0.43114326970997 14.007 > 67 135 N 0.07722228149816 0.67372063806518 0.82426812533869 14.007 > 68 136 N 0.57722228149816 0.67372063806518 0.82426812533869 14.007 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3545795 0.0000000 0.0063040 0.0000000 3.8415992 0.0000000 0.0063022 0.0000000 3.6102560 -------------------------- Born effective charges -------------------------- 1 Ba 2.6731838 -0.1727955 -0.0686787 0.2384196 2.4537555 -0.3897833 -0.0650635 -0.2414684 2.9072779 2 Ba 2.5864992 -0.5080710 -0.2630038 0.0700281 2.3998049 -0.5323163 0.0683879 -0.3817791 2.9543827 3 Ba 2.6592024 0.0393231 0.1766996 -0.1670800 3.1722776 -0.3412965 -0.1583112 0.0448818 2.2216123 4 Ba 2.6731838 -0.1727955 -0.0686787 0.2384196 2.4537555 -0.3897833 -0.0650635 -0.2414684 2.9072779 5 Ba 2.6592024 -0.0393231 0.1766996 0.1670800 3.1722776 0.3412965 -0.1583112 -0.0448818 2.2216123 6 Ba 2.5864992 0.5080710 -0.2630038 -0.0700281 2.3998049 0.5323163 0.0683879 0.3817791 2.9543827 7 Ba 2.6592024 0.0393231 0.1766996 -0.1670800 3.1722776 -0.3412965 -0.1583112 0.0448818 2.2216123 8 Ba 2.6592024 -0.0393231 0.1766996 0.1670800 3.1722776 0.3412965 -0.1583112 -0.0448818 2.2216123 9 Ba 2.5864992 -0.5080710 -0.2630038 0.0700281 2.3998049 -0.5323163 0.0683879 -0.3817791 2.9543827 10 Ba 2.6731838 0.1727955 -0.0686787 -0.2384196 2.4537555 0.3897833 -0.0650635 0.2414684 2.9072779 11 Ba 2.6731838 0.1727955 -0.0686787 -0.2384196 2.4537555 0.3897833 -0.0650635 0.2414684 2.9072779 12 Ba 2.5864992 0.5080710 -0.2630038 -0.0700281 2.3998049 0.5323163 0.0683879 0.3817791 2.9543827 13 Na 1.0618959 0.0031011 0.0095417 -0.0060911 1.3608243 -0.0296610 -0.0032473 0.0272770 1.3220900 14 Na 1.0618959 -0.0031011 0.0095417 0.0060911 1.3608243 0.0296610 -0.0032473 -0.0272770 1.3220900 15 Na 1.0594990 0.0037335 -0.0035310 -0.0081182 1.3655728 -0.0358182 -0.0001860 0.0324410 1.3460433 16 Na 1.0594990 -0.0037335 -0.0035310 0.0081182 1.3655728 0.0358182 -0.0001860 -0.0324410 1.3460433 17 Na 1.0618959 -0.0031011 0.0095417 0.0060911 1.3608243 0.0296610 -0.0032473 -0.0272770 1.3220900 18 Na 1.0594990 0.0037335 -0.0035310 -0.0081182 1.3655728 -0.0358182 -0.0001860 0.0324410 1.3460433 19 Na 1.0594990 -0.0037335 -0.0035310 0.0081182 1.3655728 0.0358182 -0.0001860 -0.0324410 1.3460433 20 Na 1.0618959 0.0031011 0.0095417 -0.0060911 1.3608243 -0.0296610 -0.0032473 0.0272770 1.3220900 21 C 0.3504464 -1.3411603 0.6806794 -1.2779528 1.9399016 -1.2470228 0.6528043 -1.2357527 0.1891191 22 C 0.3504464 1.3411603 0.6806794 1.2779528 1.9399016 1.2470228 0.6528043 1.2357527 0.1891191 23 C 0.3185095 -0.9508756 0.0556507 -1.1267838 3.5194203 -0.6531074 0.0496168 -0.3630017 -0.3986352 24 C 0.3504464 -1.3411603 0.6806794 -1.2779528 1.9399016 -1.2470228 0.6528043 -1.2357527 0.1891191 25 C 0.3194536 0.1907624 -1.4214294 0.1420311 -0.2321047 -0.4806792 -1.3876251 -0.5169259 2.5597997 26 C 0.4062386 -1.4047642 0.6538399 -1.3656715 2.2704662 -1.0818458 0.5977673 -1.0105962 0.0835872 27 C 0.4062386 1.4047642 0.6538399 1.3656715 2.2704662 1.0818458 0.5977673 1.0105962 0.0835872 28 C 0.3194536 0.1907624 -1.4214294 0.1420311 -0.2321047 -0.4806792 -1.3876251 -0.5169259 2.5597997 29 C 0.3194536 -0.1907624 -1.4214294 -0.1420311 -0.2321047 0.4806792 -1.3876251 0.5169259 2.5597997 30 C 0.3194536 -0.1907624 -1.4214294 -0.1420311 -0.2321047 0.4806792 -1.3876251 0.5169259 2.5597997 31 C 0.3296347 0.5797352 0.8040074 0.6162209 1.0926075 1.7705623 0.9261683 2.0979542 1.9271533 32 C 0.4062386 1.4047642 0.6538399 1.3656715 2.2704662 1.0818458 0.5977673 1.0105962 0.0835872 33 C 0.3185095 0.9508756 0.0556507 1.1267838 3.5194203 0.6531074 0.0496168 0.3630017 -0.3986352 34 C 0.4062386 -1.4047642 0.6538399 -1.3656715 2.2704662 -1.0818458 0.5977673 -1.0105962 0.0835872 35 C 0.3504464 1.3411603 0.6806794 1.2779528 1.9399016 1.2470228 0.6528043 1.2357527 0.1891191 36 C 0.3296347 -0.5797352 0.8040074 -0.6162209 1.0926075 -1.7705623 0.9261683 -2.0979542 1.9271533 37 N -1.4367038 0.1991626 0.5717920 0.0914726 -1.4296880 -0.2216190 0.6056850 -0.4047944 -2.3386390 38 N -1.4632840 -0.5191588 -0.3239168 -0.6021848 -2.2592165 -0.3911685 -0.2964080 -0.3772367 -1.6973863 39 N -1.3766255 0.3402309 0.0094507 0.3780864 -2.9714912 0.3014372 -0.0478171 0.1817213 -1.2083934 40 N -1.3956140 -0.1793775 -0.3049833 -0.2356299 -1.9361840 -0.7123067 -0.3043126 -0.9712045 -2.2004013 41 N -1.3766255 0.3402309 0.0094507 0.3780864 -2.9714912 0.3014372 -0.0478171 0.1817213 -1.2083934 42 N -1.4888618 -0.6168598 -0.1701075 -0.6242961 -2.4286682 -0.2713580 -0.2204452 -0.3169614 -1.3628002 43 N -1.3766255 -0.3402309 0.0094507 -0.3780864 -2.9714912 -0.3014372 -0.0478171 -0.1817213 -1.2083934 44 N -1.4386933 -0.5854699 -0.1763253 -0.5638931 -2.3202428 -0.3610033 -0.2368481 -0.3289611 -1.4137279 45 N -1.4219324 0.4812531 -0.3715730 0.5328815 -2.1046877 0.4204955 -0.3227035 0.5370989 -1.6997301 46 N -1.4386933 -0.5854699 -0.1763253 -0.5638931 -2.3202428 -0.3610033 -0.2368481 -0.3289611 -1.4137279 47 N -1.4187763 -0.0183333 0.5717163 0.0635624 -1.5863335 0.0315897 0.6304306 -0.1315031 -2.4270930 48 N -1.4888618 0.6168598 -0.1701075 0.6242961 -2.4286682 0.2713580 -0.2204452 0.3169614 -1.3628002 49 N -1.4386933 0.5854699 -0.1763253 0.5638931 -2.3202428 0.3610033 -0.2368481 0.3289611 -1.4137279 50 N -1.3956140 0.1793775 -0.3049833 0.2356299 -1.9361840 0.7123067 -0.3043126 0.9712045 -2.2004013 51 N -1.4888618 0.6168598 -0.1701075 0.6242961 -2.4286682 0.2713580 -0.2204452 0.3169614 -1.3628002 52 N -1.3766255 -0.3402309 0.0094507 -0.3780864 -2.9714912 -0.3014372 -0.0478171 -0.1817213 -1.2083934 53 N -1.4632840 -0.5191588 -0.3239168 -0.6021848 -2.2592165 -0.3911685 -0.2964080 -0.3772367 -1.6973863 54 N -1.4367038 0.1991626 0.5717920 0.0914726 -1.4296880 -0.2216190 0.6056850 -0.4047944 -2.3386390 55 N -1.4386933 0.5854699 -0.1763253 0.5638931 -2.3202428 0.3610033 -0.2368481 0.3289611 -1.4137279 56 N -1.4219324 0.4812531 -0.3715730 0.5328815 -2.1046877 0.4204955 -0.3227035 0.5370989 -1.6997301 57 N -1.4888618 -0.6168598 -0.1701075 -0.6242961 -2.4286682 -0.2713580 -0.2204452 -0.3169614 -1.3628002 58 N -1.3956140 -0.1793775 -0.3049833 -0.2356299 -1.9361840 -0.7123067 -0.3043126 -0.9712045 -2.2004013 59 N -1.4219324 -0.4812531 -0.3715730 -0.5328815 -2.1046877 -0.4204955 -0.3227035 -0.5370989 -1.6997301 60 N -1.4219324 -0.4812531 -0.3715730 -0.5328815 -2.1046877 -0.4204955 -0.3227035 -0.5370989 -1.6997301 61 N -1.4187763 0.0183333 0.5717163 -0.0635624 -1.5863335 -0.0315897 0.6304306 0.1315031 -2.4270930 62 N -1.4187763 -0.0183333 0.5717163 0.0635624 -1.5863335 0.0315897 0.6304306 -0.1315031 -2.4270930 63 N -1.3956140 0.1793775 -0.3049833 0.2356299 -1.9361840 0.7123067 -0.3043126 0.9712045 -2.2004013 64 N -1.4632840 0.5191588 -0.3239168 0.6021848 -2.2592165 0.3911685 -0.2964080 0.3772367 -1.6973863 65 N -1.4367038 -0.1991626 0.5717920 -0.0914726 -1.4296880 0.2216190 0.6056850 0.4047944 -2.3386390 66 N -1.4367038 -0.1991626 0.5717920 -0.0914726 -1.4296880 0.2216190 0.6056850 0.4047944 -2.3386390 67 N -1.4187763 0.0183333 0.5717163 -0.0635624 -1.5863335 -0.0315897 0.6304306 0.1315031 -2.4270930 68 N -1.4632840 0.5191588 -0.3239168 0.6021848 -2.2592165 0.3911685 -0.2964080 0.3772367 -1.6973863 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10626 Number of blocks in projector: 10626 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: 2316 Use submatrix version of eigh solver. (1) Block: 500 / 2316 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2316 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2316 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2316 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2316 / 2316 (1) 289 eigenvectors found. (1) Complementary block size: 167 (1) Compute compressed projector. (1) Use standard solver. (1) 131 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2316 Use submatrix version of eigh solver. (1) Block: 500 / 2316 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2316 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2316 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2316 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2316 / 2316 (1) 289 eigenvectors found. (1) Complementary block size: 167 (1) Compute compressed projector. (1) Use standard solver. (1) 131 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2316 Use submatrix version of eigh solver. (1) Block: 500 / 2316 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2316 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2316 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2000 / 2316 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2316 / 2316 (1) 301 eigenvectors found. (1) Complementary block size: 131 (1) Compute compressed projector. (1) Use standard solver. (1) 96 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1226 Use submatrix version of eigh solver. (1) Block: 500 / 1226 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1226 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1226 / 1226 (1) 208 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1226 Use submatrix version of eigh solver. (1) Block: 500 / 1226 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1226 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1226 / 1226 (1) 208 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1226 Use submatrix version of eigh solver. (1) Block: 500 / 1226 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1226 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1226 / 1226 (1) 208 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (10626, 10465), data: False |-- (1226, 1208), data: False |-- (1226, 32), data: (1226, 50) @ (50, 32) |-- (226, 208), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1226, 1208), data: False |-- (1226, 32), data: (1226, 50) @ (50, 32) |-- (226, 208), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1226, 1208), data: False |-- (1226, 32), data: (1226, 50) @ (50, 32) |-- (226, 208), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2316, 2281), data: False |-- (2316, 96), data: (2316, 131) @ (131, 96) |-- (316, 301), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 467), data: False |-- (500, 29), data: (500, 62) @ (62, 29) |-- (250, 221), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2316, 2280), data: False |-- (2316, 131), data: (2316, 167) @ (167, 131) |-- (316, 289), data: True |-- (500, 466), data: False |-- (500, 24), data: (500, 58) @ (58, 24) |-- (250, 216), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 18), data: (500, 54) @ (54, 18) |-- (250, 214), data: True |-- (250, 232), data: True |-- (500, 464), data: False |-- (500, 28), data: (500, 64) @ (64, 28) |-- (250, 222), data: True |-- (250, 214), data: True |-- (2316, 2280), data: False |-- (2316, 131), data: (2316, 167) @ (167, 131) |-- (316, 289), data: True |-- (500, 466), data: False |-- (500, 24), data: (500, 58) @ (58, 24) |-- (250, 216), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 18), data: (500, 54) @ (54, 18) |-- (250, 214), data: True |-- (250, 232), data: True |-- (500, 464), data: False |-- (500, 28), data: (500, 64) @ (64, 28) |-- (250, 222), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.588 Solver_block: 200 / 2080 - Time: 3.104 Solver_block: 300 / 2080 - Time: 3.109 Solver_block: 400 / 2080 - Time: 3.116 Solver_block: 500 / 2080 - Time: 3.120 Solver_block: 600 / 2080 - Time: 3.091 Solver_block: 700 / 2080 - Time: 3.119 Solver_block: 800 / 2080 - Time: 3.112 Solver_block: 900 / 2080 - Time: 3.106 Solver_block: 1000 / 2080 - Time: 3.116 Solver_block: 1100 / 2080 - Time: 3.112 Solver_block: 1200 / 2080 - Time: 3.101 Solver_block: 1300 / 2080 - Time: 3.108 Solver_block: 1400 / 2080 - Time: 3.100 Solver_block: 1500 / 2080 - Time: 3.106 Solver_block: 1600 / 2080 - Time: 3.109 Solver_block: 1700 / 2080 - Time: 3.109 Solver_block: 1800 / 2080 - Time: 3.105 Solver_block: 1900 / 2080 - Time: 3.107 Solver_block: 2000 / 2080 - Time: 3.099 Solver_block: 2080 / 2080 - Time: 2.568 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 67.200 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10626 Number of blocks in projector: 10626 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: 2316 Use submatrix version of eigh solver. (1) Block: 500 / 2316 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2316 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2316 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2316 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2316 / 2316 (1) 289 eigenvectors found. (1) Complementary block size: 167 (1) Compute compressed projector. (1) Use standard solver. (1) 131 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2316 Use submatrix version of eigh solver. (1) Block: 500 / 2316 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2316 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2316 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2316 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2316 / 2316 (1) 289 eigenvectors found. (1) Complementary block size: 167 (1) Compute compressed projector. (1) Use standard solver. (1) 131 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2316 Use submatrix version of eigh solver. (1) Block: 500 / 2316 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2316 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2316 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2000 / 2316 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2316 / 2316 (1) 301 eigenvectors found. (1) Complementary block size: 131 (1) Compute compressed projector. (1) Use standard solver. (1) 96 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1226 Use submatrix version of eigh solver. (1) Block: 500 / 1226 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1226 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1226 / 1226 (1) 208 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1226 Use submatrix version of eigh solver. (1) Block: 500 / 1226 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1226 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1226 / 1226 (1) 208 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1226 Use submatrix version of eigh solver. (1) Block: 500 / 1226 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1226 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1226 / 1226 (1) 208 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. Tree of FC basis block matrices: - (10626, 10465), data: False |-- (1226, 1208), data: False |-- (1226, 32), data: (1226, 50) @ (50, 32) |-- (226, 208), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1226, 1208), data: False |-- (1226, 32), data: (1226, 50) @ (50, 32) |-- (226, 208), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1226, 1208), data: False |-- (1226, 32), data: (1226, 50) @ (50, 32) |-- (226, 208), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2316, 2281), data: False |-- (2316, 96), data: (2316, 131) @ (131, 96) |-- (316, 301), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 467), data: False |-- (500, 29), data: (500, 62) @ (62, 29) |-- (250, 221), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2316, 2280), data: False |-- (2316, 131), data: (2316, 167) @ (167, 131) |-- (316, 289), data: True |-- (500, 466), data: False |-- (500, 24), data: (500, 58) @ (58, 24) |-- (250, 216), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 18), data: (500, 54) @ (54, 18) |-- (250, 214), data: True |-- (250, 232), data: True |-- (500, 464), data: False |-- (500, 28), data: (500, 64) @ (64, 28) |-- (250, 222), data: True |-- (250, 214), data: True |-- (2316, 2280), data: False |-- (2316, 131), data: (2316, 167) @ (167, 131) |-- (316, 289), data: True |-- (500, 466), data: False |-- (500, 24), data: (500, 58) @ (58, 24) |-- (250, 216), data: True |-- (250, 226), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 18), data: (500, 54) @ (54, 18) |-- (250, 214), data: True |-- (250, 232), data: True |-- (500, 464), data: False |-- (500, 28), data: (500, 64) @ (64, 28) |-- (250, 222), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 19:35:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:35:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.280643860070742 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): 1 Ba 0.41507343189163 0.31939631053783 0.65416335136118 137.327 2 Ba 0.10557535712645 0.12765652658691 0.85637202076684 137.327 3 Ba 0.76807134679967 0.31082518646934 0.00671174757545 137.327 4 Ba 0.58492656810837 0.68060368946217 0.34583664863882 137.327 5 Ba 0.76807134679967 0.18917481353066 0.50671174757545 137.327 6 Ba 0.89442464287355 0.62765652658691 0.64362797923316 137.327 7 Ba 0.23192865320033 0.68917481353066 0.99328825242455 137.327 8 Ba 0.23192865320033 0.81082518646934 0.49328825242455 137.327 9 Ba 0.89442464287355 0.87234347341309 0.14362797923316 137.327 10 Ba 0.58492656810837 0.81939631053783 0.84583664863882 137.327 11 Ba 0.41507343189163 0.18060368946218 0.15416335136118 137.327 12 Ba 0.10557535712645 0.37234347341309 0.35637202076684 137.327 13 Na 0.39306901750838 0.47858999344530 0.83102891570207 22.990 14 Na 0.60693098249162 0.97858999344530 0.66897108429793 22.990 15 Na 0.10520823524227 0.52320018717054 0.17010362651186 22.990 16 Na 0.10520823524227 0.97679981282946 0.67010362651185 22.990 17 Na 0.39306901750838 0.02141000655470 0.33102891570207 22.990 18 Na 0.89479176475773 0.47679981282946 0.82989637348815 22.990 19 Na 0.89479176475773 0.02320018717054 0.32989637348814 22.990 20 Na 0.60693098249162 0.52141000655470 0.16897108429793 22.990 21 C 0.56036106764304 0.32603703268481 0.30910122422788 12.011 22 C 0.43963893235696 0.82603703268481 0.19089877577212 12.011 23 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 24 C 0.43963893235696 0.67396296731519 0.69089877577212 12.011 25 C 0.74304591976260 0.89530807738024 0.49763001813162 12.011 26 C 0.95578732661138 0.22213408641576 0.20004641245961 12.011 27 C 0.95578732661138 0.27786591358424 0.70004641245961 12.011 28 C 0.25695408023740 0.10469192261976 0.50236998186838 12.011 29 C 0.74304591976260 0.60469192261976 0.99763001813162 12.011 30 C 0.25695408023740 0.39530807738024 0.00236998186838 12.011 31 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 32 C 0.04421267338862 0.72213408641576 0.29995358754039 12.011 33 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 34 C 0.04421267338862 0.77786591358424 0.79995358754039 12.011 35 C 0.56036106764304 0.17396296731519 0.80910122422788 12.011 36 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 37 N 0.27387090848546 0.37854675343531 0.93539599887611 14.007 38 N 0.84555543700368 0.17372063806518 0.67573187466131 14.007 39 N 0.06706551444580 0.38287424246427 0.51090665077692 14.007 40 N 0.60966385389046 0.07782329671454 0.05385173966923 14.007 41 N 0.93293448555420 0.61712575753573 0.48909334922308 14.007 42 N 0.93087103409381 0.62047509205346 0.27256625101368 14.007 43 N 0.06706551444580 0.11712575753573 0.01090665077692 14.007 44 N 0.55699941554702 0.92394853909752 0.22354324298100 14.007 45 N 0.32592446638788 0.77524659392961 0.66209635316642 14.007 46 N 0.44300058445298 0.07605146090248 0.77645675701900 14.007 47 N 0.23934863307772 0.41908725871639 0.06885673029003 14.007 48 N 0.06912896590619 0.12047509205346 0.22743374898632 14.007 49 N 0.44300058445298 0.42394853909752 0.27645675701900 14.007 50 N 0.60966385389046 0.42217670328546 0.55385173966923 14.007 51 N 0.93087103409381 0.87952490794654 0.77256625101368 14.007 52 N 0.93293448555420 0.88287424246427 0.98909334922308 14.007 53 N 0.15444456299632 0.82627936193482 0.32426812533869 14.007 54 N 0.72612909151454 0.62145324656469 0.06460400112389 14.007 55 N 0.55699941554702 0.57605146090248 0.72354324298100 14.007 56 N 0.67407553361212 0.22475340607039 0.33790364683358 14.007 57 N 0.06912896590619 0.37952490794654 0.72743374898632 14.007 58 N 0.39033614610954 0.92217670328546 0.94614826033077 14.007 59 N 0.32592446638788 0.72475340607039 0.16209635316642 14.007 60 N 0.67407553361212 0.27524659392961 0.83790364683358 14.007 61 N 0.23934863307772 0.08091274128361 0.56885673029003 14.007 62 N 0.76065136692228 0.58091274128361 0.93114326970997 14.007 63 N 0.39033614610954 0.57782329671454 0.44614826033077 14.007 64 N 0.84555543700368 0.32627936193482 0.17573187466131 14.007 65 N 0.72612909151454 0.87854675343531 0.56460400112389 14.007 66 N 0.27387090848546 0.12145324656469 0.43539599887611 14.007 67 N 0.76065136692228 0.91908725871639 0.43114326970997 14.007 68 N 0.15444456299632 0.67372063806518 0.82426812533869 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.561287720141484 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): 1 Ba 0.20753671594581 0.31939631053783 0.65416335136118 137.327 > 1 2 Ba 0.70753671594582 0.31939631053783 0.65416335136118 137.327 > 1 3 Ba 0.05278767856323 0.12765652658691 0.85637202076684 137.327 > 3 4 Ba 0.55278767856323 0.12765652658691 0.85637202076684 137.327 > 3 5 Ba 0.38403567339983 0.31082518646934 0.00671174757545 137.327 > 5 6 Ba 0.88403567339983 0.31082518646934 0.00671174757545 137.327 > 5 7 Ba 0.29246328405418 0.68060368946217 0.34583664863882 137.327 > 7 8 Ba 0.79246328405418 0.68060368946217 0.34583664863882 137.327 > 7 9 Ba 0.38403567339983 0.18917481353066 0.50671174757545 137.327 > 9 10 Ba 0.88403567339983 0.18917481353066 0.50671174757545 137.327 > 9 11 Ba 0.44721232143677 0.62765652658691 0.64362797923316 137.327 > 11 12 Ba 0.94721232143677 0.62765652658691 0.64362797923316 137.327 > 11 13 Ba 0.11596432660017 0.68917481353066 0.99328825242455 137.327 > 13 14 Ba 0.61596432660017 0.68917481353066 0.99328825242455 137.327 > 13 15 Ba 0.11596432660017 0.81082518646934 0.49328825242455 137.327 > 15 16 Ba 0.61596432660017 0.81082518646934 0.49328825242455 137.327 > 15 17 Ba 0.44721232143677 0.87234347341309 0.14362797923316 137.327 > 17 18 Ba 0.94721232143677 0.87234347341309 0.14362797923316 137.327 > 17 19 Ba 0.29246328405418 0.81939631053783 0.84583664863882 137.327 > 19 20 Ba 0.79246328405418 0.81939631053783 0.84583664863882 137.327 > 19 21 Ba 0.20753671594581 0.18060368946218 0.15416335136118 137.327 > 21 22 Ba 0.70753671594582 0.18060368946218 0.15416335136118 137.327 > 21 23 Ba 0.05278767856323 0.37234347341309 0.35637202076684 137.327 > 23 24 Ba 0.55278767856323 0.37234347341309 0.35637202076684 137.327 > 23 25 Na 0.19653450875419 0.47858999344530 0.83102891570207 22.990 > 25 26 Na 0.69653450875419 0.47858999344530 0.83102891570207 22.990 > 25 27 Na 0.30346549124581 0.97858999344530 0.66897108429793 22.990 > 27 28 Na 0.80346549124581 0.97858999344530 0.66897108429793 22.990 > 27 29 Na 0.05260411762114 0.52320018717054 0.17010362651186 22.990 > 29 30 Na 0.55260411762114 0.52320018717054 0.17010362651186 22.990 > 29 31 Na 0.05260411762114 0.97679981282946 0.67010362651185 22.990 > 31 32 Na 0.55260411762114 0.97679981282946 0.67010362651185 22.990 > 31 33 Na 0.19653450875419 0.02141000655470 0.33102891570207 22.990 > 33 34 Na 0.69653450875419 0.02141000655470 0.33102891570207 22.990 > 33 35 Na 0.44739588237886 0.47679981282946 0.82989637348815 22.990 > 35 36 Na 0.94739588237886 0.47679981282946 0.82989637348815 22.990 > 35 37 Na 0.44739588237886 0.02320018717054 0.32989637348814 22.990 > 37 38 Na 0.94739588237886 0.02320018717054 0.32989637348814 22.990 > 37 39 Na 0.30346549124581 0.52141000655470 0.16897108429793 22.990 > 39 40 Na 0.80346549124581 0.52141000655470 0.16897108429793 22.990 > 39 41 C 0.28018053382152 0.32603703268481 0.30910122422788 12.011 > 41 42 C 0.78018053382152 0.32603703268481 0.30910122422788 12.011 > 41 43 C 0.21981946617848 0.82603703268481 0.19089877577212 12.011 > 43 44 C 0.71981946617848 0.82603703268481 0.19089877577212 12.011 > 43 45 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 45 46 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 45 47 C 0.21981946617848 0.67396296731519 0.69089877577212 12.011 > 47 48 C 0.71981946617848 0.67396296731519 0.69089877577212 12.011 > 47 49 C 0.37152295988130 0.89530807738024 0.49763001813162 12.011 > 49 50 C 0.87152295988130 0.89530807738024 0.49763001813162 12.011 > 49 51 C 0.47789366330569 0.22213408641576 0.20004641245961 12.011 > 51 52 C 0.97789366330569 0.22213408641576 0.20004641245961 12.011 > 51 53 C 0.47789366330569 0.27786591358424 0.70004641245961 12.011 > 53 54 C 0.97789366330569 0.27786591358424 0.70004641245961 12.011 > 53 55 C 0.12847704011870 0.10469192261976 0.50236998186838 12.011 > 55 56 C 0.62847704011870 0.10469192261976 0.50236998186838 12.011 > 55 57 C 0.37152295988130 0.60469192261976 0.99763001813162 12.011 > 57 58 C 0.87152295988130 0.60469192261976 0.99763001813162 12.011 > 57 59 C 0.12847704011870 0.39530807738024 0.00236998186838 12.011 > 59 60 C 0.62847704011870 0.39530807738024 0.00236998186838 12.011 > 59 61 C 0.25000000000000 0.00000000000000 0.00000000000000 12.011 > 61 62 C 0.75000000000000 0.00000000000000 0.00000000000000 12.011 > 61 63 C 0.02210633669431 0.72213408641576 0.29995358754039 12.011 > 63 64 C 0.52210633669431 0.72213408641576 0.29995358754039 12.011 > 63 65 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 65 66 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 65 67 C 0.02210633669431 0.77786591358424 0.79995358754039 12.011 > 67 68 C 0.52210633669431 0.77786591358424 0.79995358754039 12.011 > 67 69 C 0.28018053382152 0.17396296731519 0.80910122422788 12.011 > 69 70 C 0.78018053382152 0.17396296731519 0.80910122422788 12.011 > 69 71 C 0.25000000000000 0.50000000000000 0.50000000000000 12.011 > 71 72 C 0.75000000000000 0.50000000000000 0.50000000000000 12.011 > 71 73 N 0.13693545424273 0.37854675343531 0.93539599887611 14.007 > 73 74 N 0.63693545424273 0.37854675343531 0.93539599887611 14.007 > 73 75 N 0.42277771850184 0.17372063806518 0.67573187466131 14.007 > 75 76 N 0.92277771850184 0.17372063806518 0.67573187466131 14.007 > 75 77 N 0.03353275722290 0.38287424246427 0.51090665077692 14.007 > 77 78 N 0.53353275722290 0.38287424246427 0.51090665077692 14.007 > 77 79 N 0.30483192694523 0.07782329671454 0.05385173966923 14.007 > 79 80 N 0.80483192694523 0.07782329671454 0.05385173966923 14.007 > 79 81 N 0.46646724277710 0.61712575753573 0.48909334922308 14.007 > 81 82 N 0.96646724277710 0.61712575753573 0.48909334922308 14.007 > 81 83 N 0.46543551704691 0.62047509205346 0.27256625101368 14.007 > 83 84 N 0.96543551704691 0.62047509205346 0.27256625101368 14.007 > 83 85 N 0.03353275722290 0.11712575753573 0.01090665077692 14.007 > 85 86 N 0.53353275722290 0.11712575753573 0.01090665077692 14.007 > 85 87 N 0.27849970777351 0.92394853909752 0.22354324298100 14.007 > 87 88 N 0.77849970777351 0.92394853909752 0.22354324298100 14.007 > 87 89 N 0.16296223319394 0.77524659392961 0.66209635316642 14.007 > 89 90 N 0.66296223319394 0.77524659392961 0.66209635316642 14.007 > 89 91 N 0.22150029222649 0.07605146090248 0.77645675701900 14.007 > 91 92 N 0.72150029222649 0.07605146090248 0.77645675701900 14.007 > 91 93 N 0.11967431653886 0.41908725871639 0.06885673029003 14.007 > 93 94 N 0.61967431653886 0.41908725871639 0.06885673029003 14.007 > 93 95 N 0.03456448295309 0.12047509205346 0.22743374898632 14.007 > 95 96 N 0.53456448295309 0.12047509205346 0.22743374898632 14.007 > 95 97 N 0.22150029222649 0.42394853909752 0.27645675701900 14.007 > 97 98 N 0.72150029222649 0.42394853909752 0.27645675701900 14.007 > 97 99 N 0.30483192694523 0.42217670328546 0.55385173966923 14.007 > 99 100 N 0.80483192694523 0.42217670328546 0.55385173966923 14.007 > 99 101 N 0.46543551704691 0.87952490794654 0.77256625101368 14.007 > 101 102 N 0.96543551704691 0.87952490794654 0.77256625101368 14.007 > 101 103 N 0.46646724277710 0.88287424246427 0.98909334922308 14.007 > 103 104 N 0.96646724277710 0.88287424246427 0.98909334922308 14.007 > 103 105 N 0.07722228149816 0.82627936193482 0.32426812533869 14.007 > 105 106 N 0.57722228149816 0.82627936193482 0.32426812533869 14.007 > 105 107 N 0.36306454575727 0.62145324656469 0.06460400112389 14.007 > 107 108 N 0.86306454575727 0.62145324656469 0.06460400112389 14.007 > 107 109 N 0.27849970777351 0.57605146090248 0.72354324298100 14.007 > 109 110 N 0.77849970777351 0.57605146090248 0.72354324298100 14.007 > 109 111 N 0.33703776680606 0.22475340607039 0.33790364683358 14.007 > 111 112 N 0.83703776680606 0.22475340607039 0.33790364683358 14.007 > 111 113 N 0.03456448295309 0.37952490794654 0.72743374898632 14.007 > 113 114 N 0.53456448295309 0.37952490794654 0.72743374898632 14.007 > 113 115 N 0.19516807305477 0.92217670328546 0.94614826033077 14.007 > 115 116 N 0.69516807305477 0.92217670328546 0.94614826033077 14.007 > 115 117 N 0.16296223319394 0.72475340607039 0.16209635316642 14.007 > 117 118 N 0.66296223319394 0.72475340607039 0.16209635316642 14.007 > 117 119 N 0.33703776680606 0.27524659392961 0.83790364683358 14.007 > 119 120 N 0.83703776680606 0.27524659392961 0.83790364683358 14.007 > 119 121 N 0.11967431653886 0.08091274128361 0.56885673029003 14.007 > 121 122 N 0.61967431653886 0.08091274128361 0.56885673029003 14.007 > 121 123 N 0.38032568346114 0.58091274128361 0.93114326970997 14.007 > 123 124 N 0.88032568346114 0.58091274128361 0.93114326970997 14.007 > 123 125 N 0.19516807305477 0.57782329671454 0.44614826033077 14.007 > 125 126 N 0.69516807305477 0.57782329671454 0.44614826033077 14.007 > 125 127 N 0.42277771850184 0.32627936193482 0.17573187466131 14.007 > 127 128 N 0.92277771850184 0.32627936193482 0.17573187466131 14.007 > 127 129 N 0.36306454575727 0.87854675343531 0.56460400112389 14.007 > 129 130 N 0.86306454575727 0.87854675343531 0.56460400112389 14.007 > 129 131 N 0.13693545424273 0.12145324656469 0.43539599887611 14.007 > 131 132 N 0.63693545424273 0.12145324656469 0.43539599887611 14.007 > 131 133 N 0.38032568346114 0.91908725871639 0.43114326970997 14.007 > 133 134 N 0.88032568346114 0.91908725871639 0.43114326970997 14.007 > 133 135 N 0.07722228149816 0.67372063806518 0.82426812533869 14.007 > 135 136 N 0.57722228149816 0.67372063806518 0.82426812533869 14.007 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3545795 0.0000000 0.0063040 0.0000000 3.8415992 0.0000000 0.0063022 0.0000000 3.6102560 -------------------------- Born effective charges -------------------------- 1 Ba 2.6731838 -0.1727955 -0.0686787 0.2384196 2.4537555 -0.3897833 -0.0650635 -0.2414684 2.9072779 2 Ba 2.5864992 -0.5080710 -0.2630038 0.0700281 2.3998049 -0.5323163 0.0683879 -0.3817791 2.9543827 3 Ba 2.6592024 0.0393231 0.1766996 -0.1670800 3.1722776 -0.3412965 -0.1583112 0.0448818 2.2216123 4 Ba 2.6731838 -0.1727955 -0.0686787 0.2384196 2.4537555 -0.3897833 -0.0650635 -0.2414684 2.9072779 5 Ba 2.6592024 -0.0393231 0.1766996 0.1670800 3.1722776 0.3412965 -0.1583112 -0.0448818 2.2216123 6 Ba 2.5864992 0.5080710 -0.2630038 -0.0700281 2.3998049 0.5323163 0.0683879 0.3817791 2.9543827 7 Ba 2.6592024 0.0393231 0.1766996 -0.1670800 3.1722776 -0.3412965 -0.1583112 0.0448818 2.2216123 8 Ba 2.6592024 -0.0393231 0.1766996 0.1670800 3.1722776 0.3412965 -0.1583112 -0.0448818 2.2216123 9 Ba 2.5864992 -0.5080710 -0.2630038 0.0700281 2.3998049 -0.5323163 0.0683879 -0.3817791 2.9543827 10 Ba 2.6731838 0.1727955 -0.0686787 -0.2384196 2.4537555 0.3897833 -0.0650635 0.2414684 2.9072779 11 Ba 2.6731838 0.1727955 -0.0686787 -0.2384196 2.4537555 0.3897833 -0.0650635 0.2414684 2.9072779 12 Ba 2.5864992 0.5080710 -0.2630038 -0.0700281 2.3998049 0.5323163 0.0683879 0.3817791 2.9543827 13 Na 1.0618959 0.0031011 0.0095417 -0.0060911 1.3608243 -0.0296610 -0.0032473 0.0272770 1.3220900 14 Na 1.0618959 -0.0031011 0.0095417 0.0060911 1.3608243 0.0296610 -0.0032473 -0.0272770 1.3220900 15 Na 1.0594990 0.0037335 -0.0035310 -0.0081182 1.3655728 -0.0358182 -0.0001860 0.0324410 1.3460433 16 Na 1.0594990 -0.0037335 -0.0035310 0.0081182 1.3655728 0.0358182 -0.0001860 -0.0324410 1.3460433 17 Na 1.0618959 -0.0031011 0.0095417 0.0060911 1.3608243 0.0296610 -0.0032473 -0.0272770 1.3220900 18 Na 1.0594990 0.0037335 -0.0035310 -0.0081182 1.3655728 -0.0358182 -0.0001860 0.0324410 1.3460433 19 Na 1.0594990 -0.0037335 -0.0035310 0.0081182 1.3655728 0.0358182 -0.0001860 -0.0324410 1.3460433 20 Na 1.0618959 0.0031011 0.0095417 -0.0060911 1.3608243 -0.0296610 -0.0032473 0.0272770 1.3220900 21 C 0.3504464 -1.3411603 0.6806794 -1.2779528 1.9399016 -1.2470228 0.6528043 -1.2357527 0.1891191 22 C 0.3504464 1.3411603 0.6806794 1.2779528 1.9399016 1.2470228 0.6528043 1.2357527 0.1891191 23 C 0.3185095 -0.9508756 0.0556507 -1.1267838 3.5194203 -0.6531074 0.0496168 -0.3630017 -0.3986352 24 C 0.3504464 -1.3411603 0.6806794 -1.2779528 1.9399016 -1.2470228 0.6528043 -1.2357527 0.1891191 25 C 0.3194536 0.1907624 -1.4214294 0.1420311 -0.2321047 -0.4806792 -1.3876251 -0.5169259 2.5597997 26 C 0.4062386 -1.4047642 0.6538399 -1.3656715 2.2704662 -1.0818458 0.5977673 -1.0105962 0.0835872 27 C 0.4062386 1.4047642 0.6538399 1.3656715 2.2704662 1.0818458 0.5977673 1.0105962 0.0835872 28 C 0.3194536 0.1907624 -1.4214294 0.1420311 -0.2321047 -0.4806792 -1.3876251 -0.5169259 2.5597997 29 C 0.3194536 -0.1907624 -1.4214294 -0.1420311 -0.2321047 0.4806792 -1.3876251 0.5169259 2.5597997 30 C 0.3194536 -0.1907624 -1.4214294 -0.1420311 -0.2321047 0.4806792 -1.3876251 0.5169259 2.5597997 31 C 0.3296347 0.5797352 0.8040074 0.6162209 1.0926075 1.7705623 0.9261683 2.0979542 1.9271533 32 C 0.4062386 1.4047642 0.6538399 1.3656715 2.2704662 1.0818458 0.5977673 1.0105962 0.0835872 33 C 0.3185095 0.9508756 0.0556507 1.1267838 3.5194203 0.6531074 0.0496168 0.3630017 -0.3986352 34 C 0.4062386 -1.4047642 0.6538399 -1.3656715 2.2704662 -1.0818458 0.5977673 -1.0105962 0.0835872 35 C 0.3504464 1.3411603 0.6806794 1.2779528 1.9399016 1.2470228 0.6528043 1.2357527 0.1891191 36 C 0.3296347 -0.5797352 0.8040074 -0.6162209 1.0926075 -1.7705623 0.9261683 -2.0979542 1.9271533 37 N -1.4367038 0.1991626 0.5717920 0.0914726 -1.4296880 -0.2216190 0.6056850 -0.4047944 -2.3386390 38 N -1.4632840 -0.5191588 -0.3239168 -0.6021848 -2.2592165 -0.3911685 -0.2964080 -0.3772367 -1.6973863 39 N -1.3766255 0.3402309 0.0094507 0.3780864 -2.9714912 0.3014372 -0.0478171 0.1817213 -1.2083934 40 N -1.3956140 -0.1793775 -0.3049833 -0.2356299 -1.9361840 -0.7123067 -0.3043126 -0.9712045 -2.2004013 41 N -1.3766255 0.3402309 0.0094507 0.3780864 -2.9714912 0.3014372 -0.0478171 0.1817213 -1.2083934 42 N -1.4888618 -0.6168598 -0.1701075 -0.6242961 -2.4286682 -0.2713580 -0.2204452 -0.3169614 -1.3628002 43 N -1.3766255 -0.3402309 0.0094507 -0.3780864 -2.9714912 -0.3014372 -0.0478171 -0.1817213 -1.2083934 44 N -1.4386933 -0.5854699 -0.1763253 -0.5638931 -2.3202428 -0.3610033 -0.2368481 -0.3289611 -1.4137279 45 N -1.4219324 0.4812531 -0.3715730 0.5328815 -2.1046877 0.4204955 -0.3227035 0.5370989 -1.6997301 46 N -1.4386933 -0.5854699 -0.1763253 -0.5638931 -2.3202428 -0.3610033 -0.2368481 -0.3289611 -1.4137279 47 N -1.4187763 -0.0183333 0.5717163 0.0635624 -1.5863335 0.0315897 0.6304306 -0.1315031 -2.4270930 48 N -1.4888618 0.6168598 -0.1701075 0.6242961 -2.4286682 0.2713580 -0.2204452 0.3169614 -1.3628002 49 N -1.4386933 0.5854699 -0.1763253 0.5638931 -2.3202428 0.3610033 -0.2368481 0.3289611 -1.4137279 50 N -1.3956140 0.1793775 -0.3049833 0.2356299 -1.9361840 0.7123067 -0.3043126 0.9712045 -2.2004013 51 N -1.4888618 0.6168598 -0.1701075 0.6242961 -2.4286682 0.2713580 -0.2204452 0.3169614 -1.3628002 52 N -1.3766255 -0.3402309 0.0094507 -0.3780864 -2.9714912 -0.3014372 -0.0478171 -0.1817213 -1.2083934 53 N -1.4632840 -0.5191588 -0.3239168 -0.6021848 -2.2592165 -0.3911685 -0.2964080 -0.3772367 -1.6973863 54 N -1.4367038 0.1991626 0.5717920 0.0914726 -1.4296880 -0.2216190 0.6056850 -0.4047944 -2.3386390 55 N -1.4386933 0.5854699 -0.1763253 0.5638931 -2.3202428 0.3610033 -0.2368481 0.3289611 -1.4137279 56 N -1.4219324 0.4812531 -0.3715730 0.5328815 -2.1046877 0.4204955 -0.3227035 0.5370989 -1.6997301 57 N -1.4888618 -0.6168598 -0.1701075 -0.6242961 -2.4286682 -0.2713580 -0.2204452 -0.3169614 -1.3628002 58 N -1.3956140 -0.1793775 -0.3049833 -0.2356299 -1.9361840 -0.7123067 -0.3043126 -0.9712045 -2.2004013 59 N -1.4219324 -0.4812531 -0.3715730 -0.5328815 -2.1046877 -0.4204955 -0.3227035 -0.5370989 -1.6997301 60 N -1.4219324 -0.4812531 -0.3715730 -0.5328815 -2.1046877 -0.4204955 -0.3227035 -0.5370989 -1.6997301 61 N -1.4187763 0.0183333 0.5717163 -0.0635624 -1.5863335 -0.0315897 0.6304306 0.1315031 -2.4270930 62 N -1.4187763 -0.0183333 0.5717163 0.0635624 -1.5863335 0.0315897 0.6304306 -0.1315031 -2.4270930 63 N -1.3956140 0.1793775 -0.3049833 0.2356299 -1.9361840 0.7123067 -0.3043126 0.9712045 -2.2004013 64 N -1.4632840 0.5191588 -0.3239168 0.6021848 -2.2592165 0.3911685 -0.2964080 0.3772367 -1.6973863 65 N -1.4367038 -0.1991626 0.5717920 -0.0914726 -1.4296880 0.2216190 0.6056850 0.4047944 -2.3386390 66 N -1.4367038 -0.1991626 0.5717920 -0.0914726 -1.4296880 0.2216190 0.6056850 0.4047944 -2.3386390 67 N -1.4187763 0.0183333 0.5717163 -0.0635624 -1.5863335 -0.0315897 0.6304306 0.1315031 -2.4270930 68 N -1.4632840 0.5191588 -0.3239168 0.6021848 -2.2592165 0.3911685 -0.2964080 0.3772367 -1.6973863 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 29, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 61, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 83, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 87, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 89, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:37:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:37:40]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.280643860070742 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): 1 Ba 0.41507343189163 0.31939631053783 0.65416335136118 137.327 2 Ba 0.10557535712645 0.12765652658691 0.85637202076684 137.327 3 Ba 0.76807134679967 0.31082518646934 0.00671174757545 137.327 4 Ba 0.58492656810837 0.68060368946217 0.34583664863882 137.327 5 Ba 0.76807134679967 0.18917481353066 0.50671174757545 137.327 6 Ba 0.89442464287355 0.62765652658691 0.64362797923316 137.327 7 Ba 0.23192865320033 0.68917481353066 0.99328825242455 137.327 8 Ba 0.23192865320033 0.81082518646934 0.49328825242455 137.327 9 Ba 0.89442464287355 0.87234347341309 0.14362797923316 137.327 10 Ba 0.58492656810837 0.81939631053783 0.84583664863882 137.327 11 Ba 0.41507343189163 0.18060368946218 0.15416335136118 137.327 12 Ba 0.10557535712645 0.37234347341309 0.35637202076684 137.327 13 Na 0.39306901750838 0.47858999344530 0.83102891570207 22.990 14 Na 0.60693098249162 0.97858999344530 0.66897108429793 22.990 15 Na 0.10520823524227 0.52320018717054 0.17010362651186 22.990 16 Na 0.10520823524227 0.97679981282946 0.67010362651185 22.990 17 Na 0.39306901750838 0.02141000655470 0.33102891570207 22.990 18 Na 0.89479176475773 0.47679981282946 0.82989637348815 22.990 19 Na 0.89479176475773 0.02320018717054 0.32989637348814 22.990 20 Na 0.60693098249162 0.52141000655470 0.16897108429793 22.990 21 C 0.56036106764304 0.32603703268481 0.30910122422788 12.011 22 C 0.43963893235696 0.82603703268481 0.19089877577212 12.011 23 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 24 C 0.43963893235696 0.67396296731519 0.69089877577212 12.011 25 C 0.74304591976260 0.89530807738024 0.49763001813162 12.011 26 C 0.95578732661138 0.22213408641576 0.20004641245961 12.011 27 C 0.95578732661138 0.27786591358424 0.70004641245961 12.011 28 C 0.25695408023740 0.10469192261976 0.50236998186838 12.011 29 C 0.74304591976260 0.60469192261976 0.99763001813162 12.011 30 C 0.25695408023740 0.39530807738024 0.00236998186838 12.011 31 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 32 C 0.04421267338862 0.72213408641576 0.29995358754039 12.011 33 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 34 C 0.04421267338862 0.77786591358424 0.79995358754039 12.011 35 C 0.56036106764304 0.17396296731519 0.80910122422788 12.011 36 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 37 N 0.27387090848546 0.37854675343531 0.93539599887611 14.007 38 N 0.84555543700368 0.17372063806518 0.67573187466131 14.007 39 N 0.06706551444580 0.38287424246427 0.51090665077692 14.007 40 N 0.60966385389046 0.07782329671454 0.05385173966923 14.007 41 N 0.93293448555420 0.61712575753573 0.48909334922308 14.007 42 N 0.93087103409381 0.62047509205346 0.27256625101368 14.007 43 N 0.06706551444580 0.11712575753573 0.01090665077692 14.007 44 N 0.55699941554702 0.92394853909752 0.22354324298100 14.007 45 N 0.32592446638788 0.77524659392961 0.66209635316642 14.007 46 N 0.44300058445298 0.07605146090248 0.77645675701900 14.007 47 N 0.23934863307772 0.41908725871639 0.06885673029003 14.007 48 N 0.06912896590619 0.12047509205346 0.22743374898632 14.007 49 N 0.44300058445298 0.42394853909752 0.27645675701900 14.007 50 N 0.60966385389046 0.42217670328546 0.55385173966923 14.007 51 N 0.93087103409381 0.87952490794654 0.77256625101368 14.007 52 N 0.93293448555420 0.88287424246427 0.98909334922308 14.007 53 N 0.15444456299632 0.82627936193482 0.32426812533869 14.007 54 N 0.72612909151454 0.62145324656469 0.06460400112389 14.007 55 N 0.55699941554702 0.57605146090248 0.72354324298100 14.007 56 N 0.67407553361212 0.22475340607039 0.33790364683358 14.007 57 N 0.06912896590619 0.37952490794654 0.72743374898632 14.007 58 N 0.39033614610954 0.92217670328546 0.94614826033077 14.007 59 N 0.32592446638788 0.72475340607039 0.16209635316642 14.007 60 N 0.67407553361212 0.27524659392961 0.83790364683358 14.007 61 N 0.23934863307772 0.08091274128361 0.56885673029003 14.007 62 N 0.76065136692228 0.58091274128361 0.93114326970997 14.007 63 N 0.39033614610954 0.57782329671454 0.44614826033077 14.007 64 N 0.84555543700368 0.32627936193482 0.17573187466131 14.007 65 N 0.72612909151454 0.87854675343531 0.56460400112389 14.007 66 N 0.27387090848546 0.12145324656469 0.43539599887611 14.007 67 N 0.76065136692228 0.91908725871639 0.43114326970997 14.007 68 N 0.15444456299632 0.67372063806518 0.82426812533869 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.561287720141484 0.000000000000000 0.000000000000000 b 0.000000000000000 9.999867329999999 0.000000000000000 c -6.178291756375150 0.000000000000000 16.582565405983502 Atomic positions (fractional): 1 Ba 0.20753671594581 0.31939631053783 0.65416335136118 137.327 > 1 2 Ba 0.70753671594582 0.31939631053783 0.65416335136118 137.327 > 1 3 Ba 0.05278767856323 0.12765652658691 0.85637202076684 137.327 > 3 4 Ba 0.55278767856323 0.12765652658691 0.85637202076684 137.327 > 3 5 Ba 0.38403567339983 0.31082518646934 0.00671174757545 137.327 > 5 6 Ba 0.88403567339983 0.31082518646934 0.00671174757545 137.327 > 5 7 Ba 0.29246328405418 0.68060368946217 0.34583664863882 137.327 > 7 8 Ba 0.79246328405418 0.68060368946217 0.34583664863882 137.327 > 7 9 Ba 0.38403567339983 0.18917481353066 0.50671174757545 137.327 > 9 10 Ba 0.88403567339983 0.18917481353066 0.50671174757545 137.327 > 9 11 Ba 0.44721232143677 0.62765652658691 0.64362797923316 137.327 > 11 12 Ba 0.94721232143677 0.62765652658691 0.64362797923316 137.327 > 11 13 Ba 0.11596432660017 0.68917481353066 0.99328825242455 137.327 > 13 14 Ba 0.61596432660017 0.68917481353066 0.99328825242455 137.327 > 13 15 Ba 0.11596432660017 0.81082518646934 0.49328825242455 137.327 > 15 16 Ba 0.61596432660017 0.81082518646934 0.49328825242455 137.327 > 15 17 Ba 0.44721232143677 0.87234347341309 0.14362797923316 137.327 > 17 18 Ba 0.94721232143677 0.87234347341309 0.14362797923316 137.327 > 17 19 Ba 0.29246328405418 0.81939631053783 0.84583664863882 137.327 > 19 20 Ba 0.79246328405418 0.81939631053783 0.84583664863882 137.327 > 19 21 Ba 0.20753671594581 0.18060368946218 0.15416335136118 137.327 > 21 22 Ba 0.70753671594582 0.18060368946218 0.15416335136118 137.327 > 21 23 Ba 0.05278767856323 0.37234347341309 0.35637202076684 137.327 > 23 24 Ba 0.55278767856323 0.37234347341309 0.35637202076684 137.327 > 23 25 Na 0.19653450875419 0.47858999344530 0.83102891570207 22.990 > 25 26 Na 0.69653450875419 0.47858999344530 0.83102891570207 22.990 > 25 27 Na 0.30346549124581 0.97858999344530 0.66897108429793 22.990 > 27 28 Na 0.80346549124581 0.97858999344530 0.66897108429793 22.990 > 27 29 Na 0.05260411762114 0.52320018717054 0.17010362651186 22.990 > 29 30 Na 0.55260411762114 0.52320018717054 0.17010362651186 22.990 > 29 31 Na 0.05260411762114 0.97679981282946 0.67010362651185 22.990 > 31 32 Na 0.55260411762114 0.97679981282946 0.67010362651185 22.990 > 31 33 Na 0.19653450875419 0.02141000655470 0.33102891570207 22.990 > 33 34 Na 0.69653450875419 0.02141000655470 0.33102891570207 22.990 > 33 35 Na 0.44739588237886 0.47679981282946 0.82989637348815 22.990 > 35 36 Na 0.94739588237886 0.47679981282946 0.82989637348815 22.990 > 35 37 Na 0.44739588237886 0.02320018717054 0.32989637348814 22.990 > 37 38 Na 0.94739588237886 0.02320018717054 0.32989637348814 22.990 > 37 39 Na 0.30346549124581 0.52141000655470 0.16897108429793 22.990 > 39 40 Na 0.80346549124581 0.52141000655470 0.16897108429793 22.990 > 39 41 C 0.28018053382152 0.32603703268481 0.30910122422788 12.011 > 41 42 C 0.78018053382152 0.32603703268481 0.30910122422788 12.011 > 41 43 C 0.21981946617848 0.82603703268481 0.19089877577212 12.011 > 43 44 C 0.71981946617848 0.82603703268481 0.19089877577212 12.011 > 43 45 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 45 46 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 45 47 C 0.21981946617848 0.67396296731519 0.69089877577212 12.011 > 47 48 C 0.71981946617848 0.67396296731519 0.69089877577212 12.011 > 47 49 C 0.37152295988130 0.89530807738024 0.49763001813162 12.011 > 49 50 C 0.87152295988130 0.89530807738024 0.49763001813162 12.011 > 49 51 C 0.47789366330569 0.22213408641576 0.20004641245961 12.011 > 51 52 C 0.97789366330569 0.22213408641576 0.20004641245961 12.011 > 51 53 C 0.47789366330569 0.27786591358424 0.70004641245961 12.011 > 53 54 C 0.97789366330569 0.27786591358424 0.70004641245961 12.011 > 53 55 C 0.12847704011870 0.10469192261976 0.50236998186838 12.011 > 55 56 C 0.62847704011870 0.10469192261976 0.50236998186838 12.011 > 55 57 C 0.37152295988130 0.60469192261976 0.99763001813162 12.011 > 57 58 C 0.87152295988130 0.60469192261976 0.99763001813162 12.011 > 57 59 C 0.12847704011870 0.39530807738024 0.00236998186838 12.011 > 59 60 C 0.62847704011870 0.39530807738024 0.00236998186838 12.011 > 59 61 C 0.25000000000000 0.00000000000000 0.00000000000000 12.011 > 61 62 C 0.75000000000000 0.00000000000000 0.00000000000000 12.011 > 61 63 C 0.02210633669431 0.72213408641576 0.29995358754039 12.011 > 63 64 C 0.52210633669431 0.72213408641576 0.29995358754039 12.011 > 63 65 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 65 66 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 65 67 C 0.02210633669431 0.77786591358424 0.79995358754039 12.011 > 67 68 C 0.52210633669431 0.77786591358424 0.79995358754039 12.011 > 67 69 C 0.28018053382152 0.17396296731519 0.80910122422788 12.011 > 69 70 C 0.78018053382152 0.17396296731519 0.80910122422788 12.011 > 69 71 C 0.25000000000000 0.50000000000000 0.50000000000000 12.011 > 71 72 C 0.75000000000000 0.50000000000000 0.50000000000000 12.011 > 71 73 N 0.13693545424273 0.37854675343531 0.93539599887611 14.007 > 73 74 N 0.63693545424273 0.37854675343531 0.93539599887611 14.007 > 73 75 N 0.42277771850184 0.17372063806518 0.67573187466131 14.007 > 75 76 N 0.92277771850184 0.17372063806518 0.67573187466131 14.007 > 75 77 N 0.03353275722290 0.38287424246427 0.51090665077692 14.007 > 77 78 N 0.53353275722290 0.38287424246427 0.51090665077692 14.007 > 77 79 N 0.30483192694523 0.07782329671454 0.05385173966923 14.007 > 79 80 N 0.80483192694523 0.07782329671454 0.05385173966923 14.007 > 79 81 N 0.46646724277710 0.61712575753573 0.48909334922308 14.007 > 81 82 N 0.96646724277710 0.61712575753573 0.48909334922308 14.007 > 81 83 N 0.46543551704691 0.62047509205346 0.27256625101368 14.007 > 83 84 N 0.96543551704691 0.62047509205346 0.27256625101368 14.007 > 83 85 N 0.03353275722290 0.11712575753573 0.01090665077692 14.007 > 85 86 N 0.53353275722290 0.11712575753573 0.01090665077692 14.007 > 85 87 N 0.27849970777351 0.92394853909752 0.22354324298100 14.007 > 87 88 N 0.77849970777351 0.92394853909752 0.22354324298100 14.007 > 87 89 N 0.16296223319394 0.77524659392961 0.66209635316642 14.007 > 89 90 N 0.66296223319394 0.77524659392961 0.66209635316642 14.007 > 89 91 N 0.22150029222649 0.07605146090248 0.77645675701900 14.007 > 91 92 N 0.72150029222649 0.07605146090248 0.77645675701900 14.007 > 91 93 N 0.11967431653886 0.41908725871639 0.06885673029003 14.007 > 93 94 N 0.61967431653886 0.41908725871639 0.06885673029003 14.007 > 93 95 N 0.03456448295309 0.12047509205346 0.22743374898632 14.007 > 95 96 N 0.53456448295309 0.12047509205346 0.22743374898632 14.007 > 95 97 N 0.22150029222649 0.42394853909752 0.27645675701900 14.007 > 97 98 N 0.72150029222649 0.42394853909752 0.27645675701900 14.007 > 97 99 N 0.30483192694523 0.42217670328546 0.55385173966923 14.007 > 99 100 N 0.80483192694523 0.42217670328546 0.55385173966923 14.007 > 99 101 N 0.46543551704691 0.87952490794654 0.77256625101368 14.007 > 101 102 N 0.96543551704691 0.87952490794654 0.77256625101368 14.007 > 101 103 N 0.46646724277710 0.88287424246427 0.98909334922308 14.007 > 103 104 N 0.96646724277710 0.88287424246427 0.98909334922308 14.007 > 103 105 N 0.07722228149816 0.82627936193482 0.32426812533869 14.007 > 105 106 N 0.57722228149816 0.82627936193482 0.32426812533869 14.007 > 105 107 N 0.36306454575727 0.62145324656469 0.06460400112389 14.007 > 107 108 N 0.86306454575727 0.62145324656469 0.06460400112389 14.007 > 107 109 N 0.27849970777351 0.57605146090248 0.72354324298100 14.007 > 109 110 N 0.77849970777351 0.57605146090248 0.72354324298100 14.007 > 109 111 N 0.33703776680606 0.22475340607039 0.33790364683358 14.007 > 111 112 N 0.83703776680606 0.22475340607039 0.33790364683358 14.007 > 111 113 N 0.03456448295309 0.37952490794654 0.72743374898632 14.007 > 113 114 N 0.53456448295309 0.37952490794654 0.72743374898632 14.007 > 113 115 N 0.19516807305477 0.92217670328546 0.94614826033077 14.007 > 115 116 N 0.69516807305477 0.92217670328546 0.94614826033077 14.007 > 115 117 N 0.16296223319394 0.72475340607039 0.16209635316642 14.007 > 117 118 N 0.66296223319394 0.72475340607039 0.16209635316642 14.007 > 117 119 N 0.33703776680606 0.27524659392961 0.83790364683358 14.007 > 119 120 N 0.83703776680606 0.27524659392961 0.83790364683358 14.007 > 119 121 N 0.11967431653886 0.08091274128361 0.56885673029003 14.007 > 121 122 N 0.61967431653886 0.08091274128361 0.56885673029003 14.007 > 121 123 N 0.38032568346114 0.58091274128361 0.93114326970997 14.007 > 123 124 N 0.88032568346114 0.58091274128361 0.93114326970997 14.007 > 123 125 N 0.19516807305477 0.57782329671454 0.44614826033077 14.007 > 125 126 N 0.69516807305477 0.57782329671454 0.44614826033077 14.007 > 125 127 N 0.42277771850184 0.32627936193482 0.17573187466131 14.007 > 127 128 N 0.92277771850184 0.32627936193482 0.17573187466131 14.007 > 127 129 N 0.36306454575727 0.87854675343531 0.56460400112389 14.007 > 129 130 N 0.86306454575727 0.87854675343531 0.56460400112389 14.007 > 129 131 N 0.13693545424273 0.12145324656469 0.43539599887611 14.007 > 131 132 N 0.63693545424273 0.12145324656469 0.43539599887611 14.007 > 131 133 N 0.38032568346114 0.91908725871639 0.43114326970997 14.007 > 133 134 N 0.88032568346114 0.91908725871639 0.43114326970997 14.007 > 133 135 N 0.07722228149816 0.67372063806518 0.82426812533869 14.007 > 135 136 N 0.57722228149816 0.67372063806518 0.82426812533869 14.007 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3545795 0.0000000 0.0063040 0.0000000 3.8415992 0.0000000 0.0063022 0.0000000 3.6102560 -------------------------- Born effective charges -------------------------- 1 Ba 2.6731838 -0.1727955 -0.0686787 0.2384196 2.4537555 -0.3897833 -0.0650635 -0.2414684 2.9072779 2 Ba 2.5864992 -0.5080710 -0.2630038 0.0700281 2.3998049 -0.5323163 0.0683879 -0.3817791 2.9543827 3 Ba 2.6592024 0.0393231 0.1766996 -0.1670800 3.1722776 -0.3412965 -0.1583112 0.0448818 2.2216123 4 Ba 2.6731838 -0.1727955 -0.0686787 0.2384196 2.4537555 -0.3897833 -0.0650635 -0.2414684 2.9072779 5 Ba 2.6592024 -0.0393231 0.1766996 0.1670800 3.1722776 0.3412965 -0.1583112 -0.0448818 2.2216123 6 Ba 2.5864992 0.5080710 -0.2630038 -0.0700281 2.3998049 0.5323163 0.0683879 0.3817791 2.9543827 7 Ba 2.6592024 0.0393231 0.1766996 -0.1670800 3.1722776 -0.3412965 -0.1583112 0.0448818 2.2216123 8 Ba 2.6592024 -0.0393231 0.1766996 0.1670800 3.1722776 0.3412965 -0.1583112 -0.0448818 2.2216123 9 Ba 2.5864992 -0.5080710 -0.2630038 0.0700281 2.3998049 -0.5323163 0.0683879 -0.3817791 2.9543827 10 Ba 2.6731838 0.1727955 -0.0686787 -0.2384196 2.4537555 0.3897833 -0.0650635 0.2414684 2.9072779 11 Ba 2.6731838 0.1727955 -0.0686787 -0.2384196 2.4537555 0.3897833 -0.0650635 0.2414684 2.9072779 12 Ba 2.5864992 0.5080710 -0.2630038 -0.0700281 2.3998049 0.5323163 0.0683879 0.3817791 2.9543827 13 Na 1.0618959 0.0031011 0.0095417 -0.0060911 1.3608243 -0.0296610 -0.0032473 0.0272770 1.3220900 14 Na 1.0618959 -0.0031011 0.0095417 0.0060911 1.3608243 0.0296610 -0.0032473 -0.0272770 1.3220900 15 Na 1.0594990 0.0037335 -0.0035310 -0.0081182 1.3655728 -0.0358182 -0.0001860 0.0324410 1.3460433 16 Na 1.0594990 -0.0037335 -0.0035310 0.0081182 1.3655728 0.0358182 -0.0001860 -0.0324410 1.3460433 17 Na 1.0618959 -0.0031011 0.0095417 0.0060911 1.3608243 0.0296610 -0.0032473 -0.0272770 1.3220900 18 Na 1.0594990 0.0037335 -0.0035310 -0.0081182 1.3655728 -0.0358182 -0.0001860 0.0324410 1.3460433 19 Na 1.0594990 -0.0037335 -0.0035310 0.0081182 1.3655728 0.0358182 -0.0001860 -0.0324410 1.3460433 20 Na 1.0618959 0.0031011 0.0095417 -0.0060911 1.3608243 -0.0296610 -0.0032473 0.0272770 1.3220900 21 C 0.3504464 -1.3411603 0.6806794 -1.2779528 1.9399016 -1.2470228 0.6528043 -1.2357527 0.1891191 22 C 0.3504464 1.3411603 0.6806794 1.2779528 1.9399016 1.2470228 0.6528043 1.2357527 0.1891191 23 C 0.3185095 -0.9508756 0.0556507 -1.1267838 3.5194203 -0.6531074 0.0496168 -0.3630017 -0.3986352 24 C 0.3504464 -1.3411603 0.6806794 -1.2779528 1.9399016 -1.2470228 0.6528043 -1.2357527 0.1891191 25 C 0.3194536 0.1907624 -1.4214294 0.1420311 -0.2321047 -0.4806792 -1.3876251 -0.5169259 2.5597997 26 C 0.4062386 -1.4047642 0.6538399 -1.3656715 2.2704662 -1.0818458 0.5977673 -1.0105962 0.0835872 27 C 0.4062386 1.4047642 0.6538399 1.3656715 2.2704662 1.0818458 0.5977673 1.0105962 0.0835872 28 C 0.3194536 0.1907624 -1.4214294 0.1420311 -0.2321047 -0.4806792 -1.3876251 -0.5169259 2.5597997 29 C 0.3194536 -0.1907624 -1.4214294 -0.1420311 -0.2321047 0.4806792 -1.3876251 0.5169259 2.5597997 30 C 0.3194536 -0.1907624 -1.4214294 -0.1420311 -0.2321047 0.4806792 -1.3876251 0.5169259 2.5597997 31 C 0.3296347 0.5797352 0.8040074 0.6162209 1.0926075 1.7705623 0.9261683 2.0979542 1.9271533 32 C 0.4062386 1.4047642 0.6538399 1.3656715 2.2704662 1.0818458 0.5977673 1.0105962 0.0835872 33 C 0.3185095 0.9508756 0.0556507 1.1267838 3.5194203 0.6531074 0.0496168 0.3630017 -0.3986352 34 C 0.4062386 -1.4047642 0.6538399 -1.3656715 2.2704662 -1.0818458 0.5977673 -1.0105962 0.0835872 35 C 0.3504464 1.3411603 0.6806794 1.2779528 1.9399016 1.2470228 0.6528043 1.2357527 0.1891191 36 C 0.3296347 -0.5797352 0.8040074 -0.6162209 1.0926075 -1.7705623 0.9261683 -2.0979542 1.9271533 37 N -1.4367038 0.1991626 0.5717920 0.0914726 -1.4296880 -0.2216190 0.6056850 -0.4047944 -2.3386390 38 N -1.4632840 -0.5191588 -0.3239168 -0.6021848 -2.2592165 -0.3911685 -0.2964080 -0.3772367 -1.6973863 39 N -1.3766255 0.3402309 0.0094507 0.3780864 -2.9714912 0.3014372 -0.0478171 0.1817213 -1.2083934 40 N -1.3956140 -0.1793775 -0.3049833 -0.2356299 -1.9361840 -0.7123067 -0.3043126 -0.9712045 -2.2004013 41 N -1.3766255 0.3402309 0.0094507 0.3780864 -2.9714912 0.3014372 -0.0478171 0.1817213 -1.2083934 42 N -1.4888618 -0.6168598 -0.1701075 -0.6242961 -2.4286682 -0.2713580 -0.2204452 -0.3169614 -1.3628002 43 N -1.3766255 -0.3402309 0.0094507 -0.3780864 -2.9714912 -0.3014372 -0.0478171 -0.1817213 -1.2083934 44 N -1.4386933 -0.5854699 -0.1763253 -0.5638931 -2.3202428 -0.3610033 -0.2368481 -0.3289611 -1.4137279 45 N -1.4219324 0.4812531 -0.3715730 0.5328815 -2.1046877 0.4204955 -0.3227035 0.5370989 -1.6997301 46 N -1.4386933 -0.5854699 -0.1763253 -0.5638931 -2.3202428 -0.3610033 -0.2368481 -0.3289611 -1.4137279 47 N -1.4187763 -0.0183333 0.5717163 0.0635624 -1.5863335 0.0315897 0.6304306 -0.1315031 -2.4270930 48 N -1.4888618 0.6168598 -0.1701075 0.6242961 -2.4286682 0.2713580 -0.2204452 0.3169614 -1.3628002 49 N -1.4386933 0.5854699 -0.1763253 0.5638931 -2.3202428 0.3610033 -0.2368481 0.3289611 -1.4137279 50 N -1.3956140 0.1793775 -0.3049833 0.2356299 -1.9361840 0.7123067 -0.3043126 0.9712045 -2.2004013 51 N -1.4888618 0.6168598 -0.1701075 0.6242961 -2.4286682 0.2713580 -0.2204452 0.3169614 -1.3628002 52 N -1.3766255 -0.3402309 0.0094507 -0.3780864 -2.9714912 -0.3014372 -0.0478171 -0.1817213 -1.2083934 53 N -1.4632840 -0.5191588 -0.3239168 -0.6021848 -2.2592165 -0.3911685 -0.2964080 -0.3772367 -1.6973863 54 N -1.4367038 0.1991626 0.5717920 0.0914726 -1.4296880 -0.2216190 0.6056850 -0.4047944 -2.3386390 55 N -1.4386933 0.5854699 -0.1763253 0.5638931 -2.3202428 0.3610033 -0.2368481 0.3289611 -1.4137279 56 N -1.4219324 0.4812531 -0.3715730 0.5328815 -2.1046877 0.4204955 -0.3227035 0.5370989 -1.6997301 57 N -1.4888618 -0.6168598 -0.1701075 -0.6242961 -2.4286682 -0.2713580 -0.2204452 -0.3169614 -1.3628002 58 N -1.3956140 -0.1793775 -0.3049833 -0.2356299 -1.9361840 -0.7123067 -0.3043126 -0.9712045 -2.2004013 59 N -1.4219324 -0.4812531 -0.3715730 -0.5328815 -2.1046877 -0.4204955 -0.3227035 -0.5370989 -1.6997301 60 N -1.4219324 -0.4812531 -0.3715730 -0.5328815 -2.1046877 -0.4204955 -0.3227035 -0.5370989 -1.6997301 61 N -1.4187763 0.0183333 0.5717163 -0.0635624 -1.5863335 -0.0315897 0.6304306 0.1315031 -2.4270930 62 N -1.4187763 -0.0183333 0.5717163 0.0635624 -1.5863335 0.0315897 0.6304306 -0.1315031 -2.4270930 63 N -1.3956140 0.1793775 -0.3049833 0.2356299 -1.9361840 0.7123067 -0.3043126 0.9712045 -2.2004013 64 N -1.4632840 0.5191588 -0.3239168 0.6021848 -2.2592165 0.3911685 -0.2964080 0.3772367 -1.6973863 65 N -1.4367038 -0.1991626 0.5717920 -0.0914726 -1.4296880 0.2216190 0.6056850 0.4047944 -2.3386390 66 N -1.4367038 -0.1991626 0.5717920 -0.0914726 -1.4296880 0.2216190 0.6056850 0.4047944 -2.3386390 67 N -1.4187763 0.0183333 0.5717163 -0.0635624 -1.5863335 -0.0315897 0.6304306 0.1315031 -2.4270930 68 N -1.4632840 0.5191588 -0.3239168 0.6021848 -2.2592165 0.3911685 -0.2964080 0.3772367 -1.6973863 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 3 ] 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: 0.41, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.854 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 18.267 ( 0.000 0.000 0.000) 0.000 18.271 ( 0.000 0.000 0.000) 0.000 19.053 ( 0.000 0.000 0.000) 0.000 19.058 ( 0.000 0.000 0.000) 0.000 19.104 ( 0.000 0.000 0.000) 0.000 19.110 ( 0.000 0.000 0.000) 0.000 19.119 ( 0.000 0.000 0.000) 0.000 19.121 ( 0.000 0.000 0.000) 0.000 19.226 ( 0.000 0.000 0.000) 0.000 19.236 ( 0.000 0.000 0.000) 0.000 19.276 ( 0.000 0.000 0.000) 0.000 19.282 ( 0.000 0.000 0.000) 0.000 19.285 ( 0.000 0.000 0.000) 0.000 19.286 ( 0.000 0.000 0.000) 0.000 19.309 ( 0.000 0.000 0.000) 0.000 19.310 ( 0.000 0.000 0.000) 0.000 19.460 ( 0.000 0.000 0.000) 0.000 19.469 ( 0.000 0.000 0.000) 0.000 19.479 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.524 ( 0.000 0.000 0.000) 0.000 19.528 ( 0.000 0.000 0.000) 0.000 19.530 ( 0.000 0.000 0.000) 0.000 19.547 ( 0.000 0.000 0.000) 0.000 19.607 ( 0.000 0.000 0.000) 0.000 19.610 ( 0.000 0.000 0.000) 0.000 19.673 ( 0.000 0.000 0.000) 0.000 19.676 ( 0.000 0.000 0.000) 0.000 19.708 ( 0.000 0.000 0.000) 0.000 19.711 ( 0.000 0.000 0.000) 0.000 19.785 ( 0.000 0.000 0.000) 0.000 19.806 ( 0.000 0.000 0.000) 0.000 37.938 ( 0.000 0.000 0.000) 0.000 37.942 ( 0.000 0.000 0.000) 0.000 37.943 ( 0.000 0.000 0.000) 0.000 37.945 ( 0.000 0.000 0.000) 0.000 37.995 ( 0.000 0.000 0.000) 0.000 38.000 ( 0.000 0.000 0.000) 0.000 38.027 ( 0.000 0.000 0.000) 0.000 38.027 ( 0.000 0.000 0.000) 0.000 38.053 ( 0.000 0.000 0.000) 0.000 38.054 ( 0.000 0.000 0.000) 0.000 38.074 ( 0.000 0.000 0.000) 0.000 38.077 ( 0.000 0.000 0.000) 0.000 38.242 ( 0.000 0.000 0.000) 0.000 38.246 ( 0.000 0.000 0.000) 0.000 38.383 ( 0.000 0.000 0.000) 0.000 38.383 ( 0.000 0.000 0.000) 0.000 60.394 ( 0.000 0.000 0.000) 0.000 60.477 ( 0.000 0.000 0.000) 0.000 60.664 ( 0.000 0.000 0.000) 0.000 60.680 ( 0.000 0.000 0.000) 0.000 60.790 ( 0.000 0.000 0.000) 0.000 60.816 ( 0.000 0.000 0.000) 0.000 60.832 ( 0.000 0.000 0.000) 0.000 60.853 ( 0.000 0.000 0.000) 0.000 60.947 ( 0.000 0.000 0.000) 0.000 61.070 ( 0.000 0.000 0.000) 0.000 61.150 ( 0.000 0.000 0.000) 0.000 61.898 ( 0.000 0.000 0.000) 0.000 62.046 ( 0.000 0.000 0.000) 0.000 62.156 ( 0.000 0.000 0.000) 0.000 62.564 ( 0.000 0.000 0.000) 0.000 62.695 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 19.983 0.000 10.016) 22.352 0.553 ( 22.589 0.000 12.078) 25.615 0.893 ( 36.381 0.000 13.202) 38.703 1.113 ( 5.278 0.000 -14.145) 15.098 1.153 ( 2.356 0.000 -15.199) 15.381 1.467 ( 1.745 0.000 6.550) 6.779 1.542 ( 5.726 0.000 10.732) 12.164 1.778 ( -2.057 0.000 0.346) 2.086 1.783 ( -0.809 0.000 0.839) 1.166 1.861 ( 3.031 0.000 -0.515) 3.075 1.871 ( -2.605 0.000 -3.822) 4.625 1.953 ( -1.496 0.000 0.534) 1.588 2.083 ( -0.247 0.000 1.360) 1.383 2.173 ( -2.024 0.000 -1.062) 2.285 2.234 ( -2.048 0.000 -1.581) 2.588 2.252 ( 1.133 0.000 -3.759) 3.926 2.313 ( -4.285 0.000 0.996) 4.399 2.349 ( -0.445 0.000 1.215) 1.294 2.412 ( -2.953 0.000 -3.168) 4.331 2.448 ( -2.239 0.000 0.154) 2.244 2.496 ( -0.703 0.000 -1.816) 1.948 2.518 ( -6.084 0.000 -1.788) 6.341 2.570 ( 3.928 0.000 -1.884) 4.356 2.590 ( -6.369 0.000 -0.069) 6.370 2.598 ( 0.728 0.000 3.740) 3.810 2.698 ( 5.949 0.000 -2.282) 6.372 2.712 ( 7.387 0.000 -6.720) 9.987 2.771 ( 4.837 0.000 -1.395) 5.035 2.811 ( 2.630 0.000 -2.197) 3.427 2.866 ( 3.359 0.000 -0.013) 3.359 2.903 ( 3.941 0.000 2.522) 4.679 3.006 ( 5.186 0.000 -1.706) 5.459 3.169 ( 8.542 0.000 6.629) 10.813 3.178 ( 4.454 0.000 -2.867) 5.297 3.203 ( 5.076 0.000 -0.154) 5.078 3.272 ( 5.179 0.000 -3.022) 5.996 3.311 ( 3.788 0.000 4.952) 6.235 3.534 ( -0.438 0.000 1.940) 1.988 3.625 ( 5.583 0.000 -1.458) 5.771 3.688 ( 0.719 0.000 -3.107) 3.189 3.738 ( 3.644 0.000 4.317) 5.650 3.904 ( 1.299 0.000 -6.210) 6.345 4.011 ( -0.719 0.000 -2.830) 2.920 4.038 ( 2.927 0.000 1.497) 3.287 4.055 ( 0.035 0.000 2.928) 2.928 4.212 ( -1.993 0.000 1.365) 2.416 4.365 ( 4.255 0.000 -1.561) 4.533 4.374 ( 2.523 0.000 4.804) 5.426 4.443 ( 4.029 0.000 -0.307) 4.040 4.498 ( 1.979 0.000 4.369) 4.797 4.508 ( 3.782 0.000 -2.770) 4.688 4.556 ( 0.117 0.000 -2.585) 2.587 4.586 ( 3.079 0.000 3.855) 4.934 4.678 ( -3.392 0.000 0.675) 3.459 4.773 ( -1.977 0.000 1.872) 2.722 4.791 ( -2.746 0.000 -0.648) 2.821 4.852 ( -0.485 0.000 -0.362) 0.605 4.934 ( 1.064 0.000 -0.997) 1.458 4.960 ( -0.825 0.000 2.152) 2.305 5.001 ( 2.648 0.000 1.576) 3.081 5.039 ( -0.022 0.000 0.102) 0.104 5.064 ( -3.341 0.000 -0.688) 3.411 5.082 ( -0.876 0.000 0.564) 1.042 5.115 ( 1.329 0.000 1.059) 1.700 5.118 ( 0.805 0.000 -0.487) 0.941 5.204 ( 1.597 0.000 -1.798) 2.405 5.216 ( 0.571 0.000 0.236) 0.618 5.271 ( -2.572 0.000 -2.384) 3.507 5.323 ( -2.030 0.000 -0.216) 2.041 5.333 ( 0.162 0.000 -1.155) 1.166 5.346 ( -0.477 0.000 -4.304) 4.330 5.396 ( 1.411 0.000 4.231) 4.460 5.414 ( 1.849 0.000 0.310) 1.875 5.419 ( 0.585 0.000 0.647) 0.872 5.473 ( -1.823 0.000 -4.501) 4.857 5.543 ( 2.246 0.000 -1.590) 2.752 5.544 ( -3.862 0.000 -0.396) 3.882 5.568 ( 0.697 0.000 2.039) 2.155 5.594 ( -1.400 0.000 1.415) 1.991 5.609 ( 1.738 0.000 0.974) 1.993 5.657 ( -2.609 0.000 4.174) 4.923 5.678 ( -1.885 0.000 -1.278) 2.277 5.689 ( -0.462 0.000 0.629) 0.781 5.704 ( -1.351 0.000 -0.811) 1.576 5.764 ( -2.547 0.000 -0.549) 2.606 5.800 ( 3.283 0.000 -1.186) 3.491 5.877 ( 4.800 0.000 -2.409) 5.370 5.889 ( 2.561 0.000 -7.796) 8.206 5.905 ( -2.967 0.000 -5.651) 6.383 5.948 ( -4.911 0.000 2.594) 5.554 5.977 ( 1.796 0.000 -2.297) 2.916 6.032 ( -0.827 0.000 -2.994) 3.107 6.065 ( -0.555 0.000 1.405) 1.511 6.107 ( -2.455 0.000 -1.334) 2.794 6.145 ( -6.721 0.000 -2.010) 7.015 6.180 ( -4.607 0.000 -1.655) 4.895 6.256 ( -0.788 0.000 -6.847) 6.892 6.260 ( -1.452 0.000 -2.478) 2.872 6.318 ( -1.499 0.000 6.894) 7.055 6.334 ( -1.157 0.000 -1.280) 1.726 6.353 ( 1.792 0.000 -1.603) 2.404 6.421 ( -2.489 0.000 5.625) 6.151 6.421 ( -2.078 0.000 7.255) 7.546 6.490 ( -0.780 0.000 -3.920) 3.997 6.525 ( 2.534 0.000 -1.585) 2.988 6.545 ( 1.424 0.000 -4.132) 4.370 6.552 ( 2.070 0.000 0.839) 2.234 6.590 ( 0.697 0.000 4.205) 4.262 6.615 ( 1.567 0.000 -5.190) 5.422 6.634 ( 1.551 0.000 2.754) 3.161 6.714 ( -1.569 0.000 2.767) 3.181 6.718 ( 1.374 0.000 -0.678) 1.533 6.773 ( 0.585 0.000 -0.107) 0.594 6.812 ( -3.128 0.000 -0.084) 3.129 6.866 ( -5.207 0.000 -1.928) 5.553 6.867 ( -1.013 0.000 1.988) 2.231 6.964 ( -1.000 0.000 1.689) 1.963 6.972 ( 3.815 0.000 -4.208) 5.680 7.156 ( 1.824 0.000 0.318) 1.852 7.240 ( 0.918 0.000 4.455) 4.549 7.376 ( 1.551 0.000 -0.725) 1.712 7.433 ( -2.296 0.000 -2.861) 3.668 7.484 ( -0.271 0.000 -1.500) 1.524 7.515 ( -2.000 0.000 0.436) 2.047 7.657 ( 3.925 0.000 -2.026) 4.417 7.667 ( 4.063 0.000 3.024) 5.065 7.868 ( -2.755 0.000 -2.380) 3.641 7.915 ( -4.733 0.000 4.260) 6.368 8.030 ( -1.594 0.000 -2.005) 2.562 8.191 ( -4.414 0.000 1.213) 4.578 8.226 ( -8.304 0.000 13.849) 16.148 8.463 ( -1.884 0.000 -3.870) 4.304 8.520 ( 1.778 0.000 1.640) 2.419 8.709 ( -3.153 0.000 1.587) 3.530 8.734 ( -5.926 0.000 3.811) 7.046 8.743 ( -5.246 0.000 -4.063) 6.636 8.786 ( -2.908 0.000 -1.815) 3.428 8.801 ( -4.128 0.000 9.980) 10.800 9.702 ( -4.498 0.000 0.946) 4.597 9.731 ( -5.718 0.000 -0.672) 5.758 18.329 ( 5.328 0.000 0.540) 5.355 18.393 ( 5.305 0.000 -4.268) 6.809 19.038 ( -1.680 0.000 0.125) 1.685 19.041 ( -1.691 0.000 -0.035) 1.691 19.107 ( 0.257 0.000 0.095) 0.274 19.111 ( 0.197 0.000 -0.087) 0.215 19.124 ( 0.389 0.000 0.215) 0.444 19.138 ( 0.350 0.000 -1.045) 1.102 19.237 ( 0.239 0.000 -0.151) 0.283 19.249 ( 0.091 0.000 -0.213) 0.232 19.275 ( -0.118 0.000 0.027) 0.121 19.280 ( -0.147 0.000 -0.096) 0.175 19.289 ( 0.225 0.000 0.009) 0.225 19.308 ( -0.178 0.000 -0.091) 0.200 19.308 ( -0.029 0.000 0.048) 0.056 19.321 ( 0.572 0.000 -1.658) 1.754 19.462 ( 0.171 0.000 0.091) 0.194 19.470 ( 0.147 0.000 -0.073) 0.164 19.493 ( -0.874 0.000 2.433) 2.585 19.515 ( -0.317 0.000 -0.207) 0.378 19.523 ( -0.197 0.000 0.138) 0.241 19.527 ( -0.149 0.000 0.151) 0.212 19.529 ( -0.039 0.000 -0.011) 0.041 19.543 ( -0.352 0.000 -0.084) 0.362 19.609 ( 0.204 0.000 -0.009) 0.205 19.612 ( 0.196 0.000 0.025) 0.197 19.671 ( -0.271 0.000 0.005) 0.272 19.673 ( -0.260 0.000 -0.018) 0.261 19.712 ( 0.343 0.000 0.048) 0.346 19.716 ( 0.344 0.000 -0.108) 0.360 19.785 ( -0.308 0.000 0.430) 0.529 19.802 ( -0.381 0.000 -0.110) 0.397 37.934 ( -0.332 0.000 0.076) 0.341 37.938 ( -0.232 0.000 0.119) 0.260 37.948 ( 0.206 0.000 -0.062) 0.215 37.948 ( 0.125 0.000 0.074) 0.145 37.996 ( 0.129 0.000 -0.067) 0.145 38.001 ( 0.086 0.000 0.012) 0.087 38.027 ( 0.011 0.000 0.051) 0.052 38.029 ( -0.022 0.000 0.254) 0.255 38.053 ( -0.055 0.000 0.015) 0.057 38.054 ( -0.032 0.000 -0.019) 0.037 38.076 ( 0.156 0.000 0.119) 0.196 38.077 ( 0.014 0.000 -0.027) 0.031 38.248 ( 0.590 0.000 0.092) 0.597 38.249 ( 0.372 0.000 -0.128) 0.393 38.374 ( -0.765 0.000 -0.133) 0.776 38.379 ( -0.468 0.000 0.114) 0.481 60.430 ( 2.695 0.000 2.077) 3.402 60.491 ( 1.640 0.000 -0.736) 1.798 60.681 ( 1.634 0.000 -0.095) 1.636 60.719 ( 1.909 0.000 0.680) 2.027 60.798 ( 0.896 0.000 4.091) 4.188 60.817 ( 4.056 0.000 -6.381) 7.561 60.925 ( 9.666 0.000 -1.715) 9.817 60.945 ( 2.587 0.000 5.256) 5.859 61.028 ( 8.123 0.000 2.739) 8.572 61.059 ( -0.059 0.000 -1.158) 1.160 61.256 ( -2.526 0.000 15.642) 15.845 61.846 ( -5.419 0.000 -5.052) 7.409 62.060 ( -1.743 0.000 -5.437) 5.710 62.108 ( -4.209 0.000 5.386) 6.835 62.589 ( -8.422 0.000 -3.976) 9.314 62.970 ( -10.663 0.000 6.448) 12.461 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 16.959 0.000 7.430) 18.515 1.055 ( 19.323 0.000 7.858) 20.860 1.147 ( 10.043 0.000 -10.739) 14.703 1.212 ( 13.922 0.000 -7.647) 15.883 1.536 ( 1.477 0.000 1.074) 1.826 1.626 ( 19.581 0.000 9.786) 21.890 1.657 ( 4.173 0.000 -0.428) 4.195 1.741 ( -0.636 0.000 2.158) 2.249 1.766 ( -1.202 0.000 0.486) 1.297 1.823 ( 0.472 0.000 -2.282) 2.330 1.935 ( 2.721 0.000 0.271) 2.735 1.998 ( 3.345 0.000 3.151) 4.596 2.066 ( -2.663 0.000 -0.916) 2.816 2.125 ( -0.045 0.000 0.700) 0.702 2.134 ( -5.299 0.000 1.537) 5.518 2.237 ( -4.207 0.000 2.892) 5.105 2.245 ( -1.601 0.000 1.212) 2.008 2.334 ( -3.008 0.000 -2.412) 3.855 2.336 ( -2.676 0.000 -2.213) 3.472 2.338 ( -8.293 0.000 1.180) 8.376 2.389 ( -5.168 0.000 -1.322) 5.335 2.441 ( 0.979 0.000 -4.564) 4.668 2.505 ( -0.783 0.000 -0.137) 0.795 2.565 ( -1.977 0.000 0.981) 2.208 2.744 ( 10.451 0.000 -5.417) 11.771 2.790 ( 4.742 0.000 -6.189) 7.797 2.851 ( 9.563 0.000 -3.842) 10.306 2.873 ( 6.388 0.000 -0.780) 6.435 2.881 ( 5.455 0.000 -1.485) 5.653 2.937 ( 4.000 0.000 0.949) 4.111 2.992 ( 3.424 0.000 1.551) 3.759 3.121 ( 6.685 0.000 -1.442) 6.839 3.260 ( 3.322 0.000 3.137) 4.569 3.262 ( 1.283 0.000 0.820) 1.523 3.300 ( 4.887 0.000 -1.376) 5.077 3.433 ( 3.867 0.000 1.414) 4.118 3.550 ( 14.717 0.000 5.606) 15.749 3.588 ( 6.217 0.000 6.684) 9.129 3.647 ( 0.242 0.000 -1.060) 1.087 3.808 ( 11.614 0.000 -7.428) 13.786 3.827 ( 2.257 0.000 1.466) 2.691 3.914 ( 4.488 0.000 -5.166) 6.843 3.982 ( -0.477 0.000 0.168) 0.506 4.043 ( -0.358 0.000 -0.657) 0.749 4.181 ( 8.904 0.000 3.502) 9.567 4.191 ( -1.366 0.000 1.462) 2.001 4.422 ( -0.299 0.000 -4.114) 4.125 4.430 ( 3.314 0.000 -1.634) 3.695 4.527 ( 4.429 0.000 -0.743) 4.491 4.537 ( 1.635 0.000 1.520) 2.232 4.561 ( 1.190 0.000 -0.088) 1.193 4.633 ( 4.934 0.000 2.533) 5.546 4.638 ( 0.551 0.000 -0.699) 0.890 4.701 ( 5.125 0.000 4.201) 6.627 4.753 ( -0.984 0.000 3.449) 3.587 4.756 ( 2.135 0.000 -0.477) 2.187 4.863 ( 1.462 0.000 1.373) 2.006 4.921 ( -0.089 0.000 -4.625) 4.626 4.958 ( -0.341 0.000 1.568) 1.605 4.988 ( -3.362 0.000 -0.584) 3.413 5.030 ( -1.086 0.000 2.492) 2.718 5.070 ( 0.934 0.000 3.405) 3.531 5.074 ( -0.857 0.000 0.460) 0.973 5.135 ( -1.244 0.000 1.478) 1.932 5.153 ( 1.505 0.000 2.348) 2.789 5.186 ( -0.543 0.000 -4.487) 4.519 5.228 ( -0.138 0.000 -2.367) 2.371 5.248 ( 1.702 0.000 -0.148) 1.708 5.275 ( -1.504 0.000 -2.324) 2.768 5.296 ( -2.347 0.000 2.284) 3.275 5.376 ( 1.084 0.000 0.441) 1.171 5.394 ( -3.266 0.000 -1.179) 3.473 5.428 ( -1.930 0.000 0.827) 2.100 5.436 ( -1.752 0.000 5.105) 5.397 5.453 ( -7.609 0.000 -2.965) 8.166 5.463 ( 1.853 0.000 0.621) 1.954 5.482 ( -0.995 0.000 -0.778) 1.263 5.516 ( -2.779 0.000 -3.865) 4.761 5.542 ( -3.295 0.000 -2.630) 4.216 5.593 ( -2.828 0.000 0.327) 2.847 5.613 ( -4.224 0.000 3.542) 5.513 5.636 ( 0.207 0.000 -2.106) 2.116 5.704 ( -4.632 0.000 -0.078) 4.632 5.719 ( 1.229 0.000 0.249) 1.254 5.769 ( 4.111 0.000 -3.266) 5.251 5.772 ( -5.870 0.000 0.220) 5.874 5.817 ( -4.845 0.000 -0.040) 4.845 5.841 ( -1.337 0.000 -1.254) 1.833 5.855 ( -2.044 0.000 -1.141) 2.341 5.967 ( -1.601 0.000 1.035) 1.906 5.977 ( 3.326 0.000 2.125) 3.947 5.979 ( -3.566 0.000 0.425) 3.591 6.004 ( 2.621 0.000 -6.608) 7.109 6.037 ( -5.120 0.000 1.164) 5.251 6.104 ( -1.794 0.000 -2.638) 3.190 6.128 ( 2.262 0.000 2.927) 3.699 6.172 ( -0.868 0.000 -7.446) 7.497 6.208 ( -1.511 0.000 -0.148) 1.518 6.277 ( -7.348 0.000 2.001) 7.616 6.282 ( -2.980 0.000 0.313) 2.996 6.368 ( -0.470 0.000 0.800) 0.928 6.391 ( -4.477 0.000 -1.450) 4.705 6.416 ( -1.196 0.000 6.097) 6.213 6.446 ( -1.146 0.000 0.409) 1.216 6.531 ( -0.830 0.000 -4.807) 4.878 6.573 ( 2.803 0.000 -5.814) 6.454 6.610 ( 0.333 0.000 -2.134) 2.160 6.612 ( 0.680 0.000 7.022) 7.055 6.624 ( 2.318 0.000 0.950) 2.505 6.714 ( -1.488 0.000 -2.298) 2.738 6.718 ( 2.205 0.000 5.828) 6.231 6.732 ( -1.977 0.000 -0.883) 2.165 6.754 ( 0.519 0.000 4.063) 4.096 6.773 ( 0.601 0.000 -1.685) 1.789 6.789 ( 1.400 0.000 2.154) 2.569 6.875 ( 1.770 0.000 -0.508) 1.842 6.967 ( 0.091 0.000 1.678) 1.680 7.038 ( 5.847 0.000 -3.633) 6.884 7.167 ( -0.676 0.000 0.119) 0.687 7.323 ( 2.248 0.000 6.319) 6.707 7.350 ( -1.560 0.000 -5.636) 5.848 7.399 ( -0.423 0.000 -0.610) 0.743 7.467 ( -1.542 0.000 0.872) 1.772 7.471 ( -2.533 0.000 -0.055) 2.534 7.689 ( -0.174 0.000 -4.093) 4.097 7.729 ( -0.944 0.000 1.589) 1.848 7.789 ( -1.750 0.000 -3.419) 3.841 7.842 ( -6.176 0.000 7.444) 9.672 7.963 ( -2.181 0.000 -4.385) 4.897 8.105 ( -4.880 0.000 2.139) 5.328 8.165 ( -3.964 0.000 4.457) 5.965 8.353 ( -6.243 0.000 -2.459) 6.710 8.510 ( -6.277 0.000 1.712) 6.507 8.541 ( -9.565 0.000 -0.761) 9.595 8.642 ( -4.362 0.000 -0.672) 4.413 8.651 ( -4.353 0.000 4.168) 6.027 8.757 ( 5.206 0.000 -5.859) 7.838 8.861 ( 3.060 0.000 5.720) 6.487 9.574 ( -8.821 0.000 -1.125) 8.893 9.576 ( -8.755 0.000 0.941) 8.805 18.470 ( 7.743 0.000 1.027) 7.811 18.496 ( 7.025 0.000 -1.774) 7.245 18.988 ( -3.461 0.000 0.075) 3.462 18.990 ( -3.410 0.000 -0.054) 3.410 19.114 ( 0.379 0.000 0.139) 0.404 19.115 ( 0.261 0.000 -0.130) 0.291 19.135 ( 0.376 0.000 0.392) 0.543 19.137 ( 0.146 0.000 -0.509) 0.529 19.243 ( 0.412 0.000 -0.096) 0.423 19.251 ( 0.209 0.000 -0.064) 0.219 19.273 ( -0.123 0.000 0.140) 0.186 19.275 ( -0.247 0.000 -0.138) 0.283 19.292 ( 0.096 0.000 0.103) 0.141 19.302 ( -0.371 0.000 -0.174) 0.410 19.309 ( 0.028 0.000 -0.020) 0.035 19.320 ( 0.185 0.000 -0.665) 0.691 19.468 ( 0.287 0.000 0.130) 0.315 19.474 ( 0.278 0.000 -0.098) 0.295 19.494 ( -0.343 0.000 1.047) 1.102 19.504 ( -0.500 0.000 -0.448) 0.672 19.518 ( -0.337 0.000 0.190) 0.386 19.524 ( -0.240 0.000 0.129) 0.272 19.528 ( -0.057 0.000 -0.046) 0.073 19.535 ( -0.309 0.000 -0.143) 0.341 19.615 ( 0.396 0.000 -0.015) 0.397 19.618 ( 0.394 0.000 0.017) 0.394 19.663 ( -0.469 0.000 0.030) 0.470 19.665 ( -0.486 0.000 -0.041) 0.488 19.722 ( 0.571 0.000 0.071) 0.575 19.724 ( 0.592 0.000 -0.088) 0.599 19.781 ( -0.443 0.000 0.304) 0.537 19.791 ( -0.593 0.000 -0.209) 0.628 37.931 ( 0.027 0.000 0.076) 0.081 37.936 ( -0.071 0.000 0.022) 0.074 37.949 ( 0.030 0.000 -0.091) 0.096 37.949 ( -0.033 0.000 0.096) 0.101 37.999 ( 0.176 0.000 -0.036) 0.180 38.003 ( 0.100 0.000 0.035) 0.106 38.026 ( -0.371 0.000 -0.021) 0.371 38.027 ( -0.129 0.000 0.069) 0.146 38.052 ( -0.085 0.000 0.017) 0.087 38.053 ( -0.040 0.000 -0.016) 0.043 38.077 ( -0.037 0.000 -0.006) 0.038 38.079 ( 0.000 0.000 0.083) 0.083 38.260 ( 0.787 0.000 -0.079) 0.791 38.265 ( 1.001 0.000 0.061) 1.003 38.354 ( -1.139 0.000 0.006) 1.139 38.365 ( -0.968 0.000 -0.001) 0.968 60.516 ( 3.285 0.000 3.256) 4.625 60.525 ( 2.233 0.000 -1.042) 2.464 60.731 ( 3.227 0.000 0.433) 3.256 60.770 ( 3.434 0.000 -0.486) 3.468 60.871 ( 4.561 0.000 -4.788) 6.613 60.876 ( 3.753 0.000 2.094) 4.298 61.058 ( 1.851 0.000 -2.245) 2.910 61.060 ( 5.711 0.000 5.037) 7.614 61.173 ( 14.368 0.000 1.533) 14.450 61.264 ( 12.726 0.000 1.545) 12.819 61.328 ( 1.089 0.000 6.924) 7.009 61.622 ( -7.610 0.000 -12.285) 14.451 61.959 ( -5.427 0.000 -1.659) 5.675 62.095 ( -5.117 0.000 11.839) 12.898 62.339 ( -12.073 0.000 -5.814) 13.400 62.737 ( -14.593 0.000 -0.323) 14.596 ======================= Grid point 3 (4/39) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.948 0.000 2.697) 12.249 1.362 ( 13.725 0.000 -0.960) 13.759 1.414 ( 16.312 0.000 -0.719) 16.328 1.491 ( 4.344 0.000 1.118) 4.485 1.575 ( 10.626 0.000 1.115) 10.685 1.652 ( 0.226 0.000 -4.427) 4.432 1.718 ( 0.625 0.000 -0.934) 1.124 1.749 ( -1.176 0.000 0.243) 1.201 1.846 ( 2.442 0.000 -1.259) 2.748 1.870 ( -2.403 0.000 4.040) 4.700 1.953 ( -6.749 0.000 -0.220) 6.752 1.961 ( -3.887 0.000 -1.992) 4.367 2.028 ( 1.750 0.000 0.942) 1.988 2.082 ( -4.119 0.000 1.079) 4.258 2.119 ( -4.799 0.000 2.118) 5.246 2.168 ( -5.749 0.000 0.686) 5.790 2.193 ( -0.163 0.000 -0.274) 0.318 2.240 ( -3.566 0.000 -2.640) 4.437 2.250 ( -3.287 0.000 0.171) 3.292 2.304 ( -3.127 0.000 0.670) 3.198 2.344 ( 4.806 0.000 10.073) 11.161 2.476 ( 5.474 0.000 -8.217) 9.873 2.531 ( -2.862 0.000 3.716) 4.690 2.557 ( 4.029 0.000 -1.435) 4.276 2.813 ( 3.652 0.000 -5.578) 6.667 2.884 ( 6.413 0.000 -3.154) 7.147 2.948 ( 1.654 0.000 1.784) 2.432 2.952 ( 2.152 0.000 -2.610) 3.382 3.020 ( 8.010 0.000 -4.023) 8.963 3.070 ( 3.619 0.000 0.426) 3.645 3.070 ( 6.067 0.000 5.341) 8.083 3.218 ( 3.730 0.000 -2.362) 4.415 3.296 ( 1.055 0.000 2.147) 2.392 3.335 ( 1.133 0.000 3.089) 3.291 3.371 ( 2.901 0.000 -0.480) 2.940 3.463 ( -0.023 0.000 -0.807) 0.807 3.689 ( 5.236 0.000 -0.120) 5.237 3.733 ( 6.239 0.000 4.681) 7.800 3.854 ( 1.828 0.000 -0.664) 1.945 3.928 ( 9.029 0.000 0.656) 9.053 3.940 ( 4.367 0.000 -4.656) 6.383 3.985 ( 3.537 0.000 -6.385) 7.299 4.014 ( 5.809 0.000 5.324) 7.880 4.075 ( 9.195 0.000 -0.164) 9.197 4.159 ( -1.188 0.000 -0.048) 1.189 4.296 ( -6.696 0.000 -1.940) 6.971 4.452 ( 8.040 0.000 2.707) 8.484 4.524 ( 5.280 0.000 -0.339) 5.291 4.550 ( 3.715 0.000 0.681) 3.777 4.584 ( -1.166 0.000 -0.506) 1.271 4.643 ( 4.848 0.000 2.094) 5.281 4.666 ( 1.981 0.000 -0.453) 2.032 4.707 ( 1.270 0.000 0.704) 1.452 4.735 ( 5.064 0.000 -4.195) 6.576 4.796 ( 2.437 0.000 2.703) 3.640 4.871 ( 0.783 0.000 0.424) 0.891 4.894 ( 0.945 0.000 -2.537) 2.708 4.925 ( 1.749 0.000 3.478) 3.892 4.982 ( 2.765 0.000 -1.738) 3.266 4.991 ( 2.038 0.000 3.642) 4.173 5.018 ( -2.396 0.000 2.099) 3.185 5.035 ( 0.750 0.000 1.778) 1.930 5.042 ( -6.005 0.000 1.400) 6.166 5.111 ( -6.300 0.000 0.235) 6.304 5.131 ( -0.776 0.000 -0.355) 0.854 5.146 ( -0.795 0.000 -4.887) 4.951 5.175 ( -8.276 0.000 -2.773) 8.728 5.185 ( -0.066 0.000 0.839) 0.842 5.257 ( -0.093 0.000 1.252) 1.255 5.258 ( -5.384 0.000 1.189) 5.514 5.320 ( -5.177 0.000 -0.552) 5.207 5.341 ( -3.978 0.000 0.118) 3.980 5.367 ( -2.833 0.000 0.421) 2.864 5.382 ( 0.712 0.000 -0.308) 0.776 5.385 ( 1.685 0.000 0.419) 1.736 5.442 ( -1.947 0.000 0.077) 1.949 5.506 ( -5.874 0.000 0.004) 5.874 5.517 ( 1.718 0.000 2.260) 2.839 5.522 ( -2.398 0.000 -2.616) 3.549 5.525 ( 0.130 0.000 1.152) 1.159 5.544 ( -1.842 0.000 -0.609) 1.940 5.585 ( -0.557 0.000 1.435) 1.539 5.599 ( -1.655 0.000 -1.947) 2.555 5.685 ( -0.322 0.000 -3.191) 3.207 5.720 ( -3.972 0.000 2.054) 4.471 5.734 ( -2.385 0.000 0.910) 2.552 5.758 ( -0.196 0.000 -0.462) 0.502 5.774 ( -2.113 0.000 -3.554) 4.135 5.860 ( -0.850 0.000 -2.307) 2.459 5.896 ( -3.931 0.000 -2.552) 4.686 5.955 ( -3.583 0.000 1.318) 3.818 5.962 ( -1.069 0.000 0.641) 1.247 6.012 ( 0.379 0.000 2.516) 2.545 6.054 ( 5.248 0.000 -1.304) 5.408 6.099 ( -6.171 0.000 -0.052) 6.171 6.100 ( 2.962 0.000 1.132) 3.171 6.152 ( 1.301 0.000 -4.351) 4.542 6.202 ( -1.505 0.000 2.238) 2.697 6.250 ( 0.307 0.000 -1.770) 1.797 6.250 ( 4.513 0.000 4.485) 6.362 6.270 ( -6.097 0.000 -0.695) 6.136 6.358 ( -5.503 0.000 -4.443) 7.072 6.362 ( -1.387 0.000 1.507) 2.048 6.392 ( -4.559 0.000 2.339) 5.124 6.487 ( -1.784 0.000 0.040) 1.784 6.567 ( -2.044 0.000 -2.667) 3.360 6.569 ( 2.080 0.000 -4.793) 5.225 6.632 ( -2.724 0.000 1.908) 3.325 6.674 ( 0.120 0.000 -1.591) 1.595 6.689 ( 2.542 0.000 1.968) 3.215 6.702 ( -0.240 0.000 7.064) 7.069 6.776 ( -0.063 0.000 0.261) 0.269 6.798 ( 2.303 0.000 1.555) 2.779 6.868 ( 4.233 0.000 -3.650) 5.590 6.901 ( 6.418 0.000 5.771) 8.631 6.951 ( 6.053 0.000 3.138) 6.819 6.989 ( 2.740 0.000 -3.314) 4.300 7.116 ( 2.309 0.000 -6.002) 6.431 7.172 ( 2.337 0.000 4.999) 5.518 7.283 ( -1.928 0.000 -2.026) 2.797 7.348 ( -3.528 0.000 -2.058) 4.084 7.356 ( -3.736 0.000 1.462) 4.012 7.436 ( -2.057 0.000 0.803) 2.208 7.445 ( 1.010 0.000 1.031) 1.443 7.589 ( -5.735 0.000 -2.487) 6.251 7.676 ( -2.415 0.000 -0.544) 2.476 7.736 ( -2.811 0.000 -2.554) 3.798 7.758 ( -5.611 0.000 1.383) 5.779 7.924 ( 0.043 0.000 -0.985) 0.986 8.053 ( -1.843 0.000 3.002) 3.523 8.135 ( -1.520 0.000 1.498) 2.134 8.211 ( -5.491 0.000 -2.284) 5.947 8.380 ( -5.769 0.000 1.245) 5.902 8.408 ( -3.793 0.000 1.690) 4.152 8.548 ( -3.521 0.000 -1.953) 4.027 8.594 ( -2.831 0.000 1.140) 3.052 8.905 ( 11.087 0.000 -2.195) 11.302 8.990 ( 6.539 0.000 2.236) 6.911 9.375 ( -11.658 0.000 0.473) 11.667 9.383 ( -9.243 0.000 -0.664) 9.267 18.634 ( 7.763 0.000 0.753) 7.799 18.635 ( 7.662 0.000 -0.802) 7.703 18.900 ( -5.346 0.000 0.108) 5.347 18.904 ( -5.155 0.000 -0.102) 5.156 19.119 ( 0.193 0.000 -0.093) 0.214 19.122 ( 0.278 0.000 0.097) 0.294 19.136 ( 0.054 0.000 -0.250) 0.256 19.143 ( 0.172 0.000 0.278) 0.327 19.249 ( 0.223 0.000 -0.065) 0.232 19.256 ( 0.322 0.000 0.056) 0.327 19.270 ( -0.194 0.000 -0.101) 0.219 19.272 ( -0.099 0.000 0.132) 0.165 19.292 ( -0.432 0.000 -0.180) 0.467 19.296 ( 0.107 0.000 0.395) 0.409 19.308 ( -0.019 0.000 -0.231) 0.232 19.319 ( 0.052 0.000 -0.268) 0.273 19.475 ( 0.281 0.000 0.100) 0.298 19.479 ( 0.290 0.000 -0.045) 0.293 19.492 ( -0.303 0.000 -0.448) 0.541 19.494 ( -0.171 0.000 0.422) 0.456 19.513 ( -0.323 0.000 0.160) 0.360 19.521 ( -0.186 0.000 0.149) 0.238 19.526 ( -0.074 0.000 -0.092) 0.118 19.529 ( -0.167 0.000 -0.095) 0.192 19.625 ( 0.547 0.000 0.010) 0.547 19.627 ( 0.505 0.000 -0.015) 0.505 19.653 ( -0.539 0.000 0.054) 0.542 19.654 ( -0.613 0.000 -0.059) 0.616 19.734 ( 0.569 0.000 0.064) 0.572 19.737 ( 0.667 0.000 -0.073) 0.671 19.772 ( -0.545 0.000 0.198) 0.580 19.777 ( -0.553 0.000 -0.174) 0.580 37.935 ( 0.337 0.000 0.049) 0.340 37.936 ( 0.190 0.000 -0.074) 0.204 37.948 ( -0.160 0.000 -0.073) 0.176 37.948 ( -0.168 0.000 0.085) 0.188 38.003 ( 0.207 0.000 -0.004) 0.207 38.006 ( 0.185 0.000 0.047) 0.191 38.018 ( -0.383 0.000 -0.129) 0.404 38.023 ( -0.344 0.000 0.033) 0.346 38.050 ( -0.045 0.000 0.016) 0.048 38.052 ( -0.023 0.000 -0.019) 0.030 38.076 ( -0.063 0.000 0.022) 0.067 38.077 ( -0.179 0.000 0.002) 0.179 38.280 ( 1.194 0.000 0.138) 1.202 38.287 ( 1.123 0.000 -0.133) 1.131 38.331 ( -1.190 0.000 0.240) 1.214 38.341 ( -1.349 0.000 -0.234) 1.369 60.558 ( 1.612 0.000 -0.654) 1.739 60.587 ( 1.557 0.000 2.072) 2.592 60.796 ( 2.389 0.000 0.463) 2.434 60.850 ( 4.056 0.000 0.503) 4.087 60.914 ( 2.300 0.000 -1.868) 2.963 60.950 ( 2.260 0.000 0.968) 2.458 61.084 ( 2.496 0.000 -3.135) 4.007 61.236 ( 7.398 0.000 4.154) 8.484 61.375 ( 0.318 0.000 5.229) 5.238 61.389 ( -1.827 0.000 -7.074) 7.306 61.523 ( 17.364 0.000 1.596) 17.437 61.578 ( 13.304 0.000 -4.114) 13.925 61.842 ( -4.780 0.000 -0.615) 4.820 62.036 ( -9.200 0.000 8.075) 12.242 62.059 ( -11.317 0.000 -2.417) 11.572 62.405 ( -16.827 0.000 -2.694) 17.041 ======================= Grid point 4 (5/39) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.488 ( 0.000 0.000 0.000) 0.000 1.652 ( -0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 -0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.736 ( -0.000 0.000 -0.000) 0.000 1.763 ( -0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 -0.000) 0.000 1.817 ( -0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 -0.000) 0.000 1.950 ( -0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 -0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 -0.000) 0.000 2.208 ( 0.000 0.000 -0.000) 0.000 2.223 ( -0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 -0.000) 0.000 2.511 ( -0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 2.944 ( -0.000 0.000 -0.000) 0.000 2.963 ( 0.000 0.000 -0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 -0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.830 ( -0.000 0.000 -0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.943 ( -0.000 0.000 -0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.175 ( -0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 -0.000) 0.000 4.353 ( -0.000 0.000 0.000) 0.000 4.362 ( -0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.677 ( -0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 -0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 -0.000) 0.000 4.849 ( -0.000 0.000 0.000) 0.000 4.886 ( -0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 4.928 ( -0.000 0.000 0.000) 0.000 4.963 ( -0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 -0.000) 0.000 4.993 ( -0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 -0.000) 0.000 5.030 ( -0.000 0.000 -0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.080 ( -0.000 0.000 -0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 -0.000) 0.000 5.235 ( -0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 -0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.395 ( -0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 -0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.532 ( -0.000 0.000 -0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.629 ( -0.000 0.000 -0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.738 ( -0.000 0.000 -0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.105 ( -0.000 0.000 -0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.148 ( -0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.181 ( -0.000 0.000 -0.000) 0.000 6.257 ( 0.000 0.000 -0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.307 ( 0.000 0.000 0.000) 0.000 6.329 ( -0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 -0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.607 ( -0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 -0.000) 0.000 6.730 ( -0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 -0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 -0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.103 ( -0.000 0.000 -0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 -0.000) 0.000 7.279 ( 0.000 0.000 -0.000) 0.000 7.280 ( -0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.650 ( -0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 -0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 9.108 ( -0.000 0.000 0.000) 0.000 9.122 ( -0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 -0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 18.777 ( -0.000 0.000 0.000) 0.000 18.777 ( -0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 -0.000) 0.000 18.790 ( 0.000 0.000 0.000) 0.000 19.121 ( 0.000 0.000 0.000) 0.000 19.126 ( 0.000 0.000 0.000) 0.000 19.136 ( 0.000 0.000 0.000) 0.000 19.146 ( 0.000 0.000 0.000) 0.000 19.251 ( 0.000 0.000 0.000) 0.000 19.261 ( 0.000 0.000 0.000) 0.000 19.267 ( 0.000 0.000 0.000) 0.000 19.271 ( 0.000 0.000 0.000) 0.000 19.286 ( -0.000 0.000 0.000) 0.000 19.300 ( 0.000 0.000 0.000) 0.000 19.306 ( 0.000 0.000 -0.000) 0.000 19.318 ( 0.000 0.000 0.000) 0.000 19.479 ( 0.000 0.000 0.000) 0.000 19.483 ( 0.000 0.000 -0.000) 0.000 19.487 ( 0.000 0.000 0.000) 0.000 19.494 ( 0.000 0.000 0.000) 0.000 19.510 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.525 ( 0.000 0.000 -0.000) 0.000 19.527 ( 0.000 0.000 0.000) 0.000 19.634 ( 0.000 0.000 0.000) 0.000 19.634 ( 0.000 0.000 0.000) 0.000 19.644 ( -0.000 0.000 0.000) 0.000 19.646 ( 0.000 0.000 0.000) 0.000 19.741 ( 0.000 0.000 0.000) 0.000 19.745 ( -0.000 0.000 0.000) 0.000 19.766 ( 0.000 0.000 0.000) 0.000 19.770 ( 0.000 0.000 0.000) 0.000 37.941 ( 0.000 0.000 0.000) 0.000 37.941 ( -0.000 0.000 0.000) 0.000 37.943 ( 0.000 0.000 0.000) 0.000 37.945 ( -0.000 0.000 0.000) 0.000 38.007 ( 0.000 0.000 0.000) 0.000 38.009 ( -0.000 0.000 -0.000) 0.000 38.011 ( -0.000 0.000 0.000) 0.000 38.017 ( 0.000 0.000 0.000) 0.000 38.050 ( 0.000 0.000 0.000) 0.000 38.052 ( 0.000 0.000 0.000) 0.000 38.075 ( 0.000 0.000 0.000) 0.000 38.075 ( 0.000 0.000 0.000) 0.000 38.304 ( 0.000 0.000 0.000) 0.000 38.304 ( 0.000 0.000 0.000) 0.000 38.314 ( -0.000 0.000 0.000) 0.000 38.315 ( -0.000 0.000 0.000) 0.000 60.573 ( 0.000 0.000 0.000) 0.000 60.609 ( 0.000 0.000 0.000) 0.000 60.822 ( 0.000 0.000 0.000) 0.000 60.901 ( 0.000 0.000 0.000) 0.000 60.932 ( 0.000 0.000 0.000) 0.000 60.977 ( 0.000 0.000 0.000) 0.000 61.098 ( 0.000 0.000 -0.000) 0.000 61.305 ( 0.000 0.000 0.000) 0.000 61.386 ( 0.000 0.000 -0.000) 0.000 61.396 ( 0.000 0.000 0.000) 0.000 61.759 ( 0.000 0.000 -0.000) 0.000 61.783 ( 0.000 0.000 0.000) 0.000 61.801 ( -0.000 0.000 0.000) 0.000 61.895 ( 0.000 0.000 0.000) 0.000 61.934 ( -0.000 0.000 0.000) 0.000 62.136 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/39) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 18.887 0.000) 18.887 0.495 ( 0.000 24.356 0.000) 24.356 0.945 ( 0.000 41.365 0.000) 41.365 1.145 ( 0.000 3.684 0.000) 3.684 1.394 ( 0.000 8.810 0.000) 8.810 1.394 ( 0.000 5.336 0.000) 5.336 1.511 ( 0.000 7.757 0.000) 7.757 1.652 ( 0.000 -12.245 0.000) 12.245 1.726 ( 0.000 -10.296 0.000) 10.296 1.726 ( 0.000 -5.743 0.000) 5.743 1.900 ( 0.000 -5.198 0.000) 5.198 1.945 ( 0.000 0.863 0.000) 0.863 2.143 ( 0.000 -1.629 0.000) 1.629 2.195 ( 0.000 -2.128 0.000) 2.128 2.197 ( 0.000 0.564 0.000) 0.564 2.257 ( 0.000 -0.104 0.000) 0.104 2.298 ( 0.000 3.058 0.000) 3.058 2.455 ( 0.000 0.224 0.000) 0.224 2.482 ( 0.000 1.682 0.000) 1.682 2.508 ( 0.000 4.036 0.000) 4.036 2.540 ( 0.000 3.455 0.000) 3.455 2.573 ( 0.000 4.545 0.000) 4.545 2.580 ( 0.000 -2.095 0.000) 2.095 2.612 ( 0.000 0.175 0.000) 0.175 2.615 ( 0.000 -0.023 0.000) 0.023 2.657 ( 0.000 -0.774 0.000) 0.774 2.668 ( 0.000 -0.120 0.000) 0.120 2.699 ( 0.000 1.461 0.000) 1.461 2.821 ( 0.000 1.374 0.000) 1.374 2.830 ( 0.000 -0.487 0.000) 0.487 2.854 ( 0.000 3.401 0.000) 3.401 2.962 ( 0.000 2.633 0.000) 2.633 3.032 ( 0.000 0.287 0.000) 0.287 3.090 ( 0.000 2.625 0.000) 2.625 3.115 ( 0.000 -1.979 0.000) 1.979 3.176 ( 0.000 -4.806 0.000) 4.806 3.248 ( 0.000 -1.821 0.000) 1.821 3.477 ( 0.000 -5.583 0.000) 5.583 3.503 ( 0.000 -5.975 0.000) 5.975 3.688 ( 0.000 4.294 0.000) 4.294 3.797 ( 0.000 -5.848 0.000) 5.848 3.934 ( 0.000 -3.607 0.000) 3.607 4.003 ( 0.000 12.104 0.000) 12.104 4.100 ( 0.000 6.522 0.000) 6.522 4.193 ( 0.000 6.021 0.000) 6.021 4.254 ( 0.000 1.486 0.000) 1.486 4.321 ( 0.000 1.749 0.000) 1.749 4.358 ( 0.000 -1.060 0.000) 1.060 4.443 ( 0.000 9.289 0.000) 9.289 4.519 ( 0.000 3.860 0.000) 3.860 4.530 ( 0.000 -0.171 0.000) 0.171 4.575 ( 0.000 0.908 0.000) 0.908 4.621 ( 0.000 -2.191 0.000) 2.191 4.712 ( 0.000 -0.376 0.000) 0.376 4.719 ( 0.000 -5.818 0.000) 5.818 4.765 ( 0.000 2.133 0.000) 2.133 4.875 ( 0.000 -0.185 0.000) 0.185 4.922 ( 0.000 0.830 0.000) 0.830 4.935 ( 0.000 -5.172 0.000) 5.172 4.936 ( 0.000 5.844 0.000) 5.844 5.025 ( 0.000 -0.660 0.000) 0.660 5.046 ( 0.000 2.720 0.000) 2.720 5.097 ( 0.000 -0.802 0.000) 0.802 5.114 ( 0.000 -0.672 0.000) 0.672 5.166 ( 0.000 -1.882 0.000) 1.882 5.174 ( 0.000 4.483 0.000) 4.483 5.200 ( 0.000 -1.224 0.000) 1.224 5.229 ( 0.000 0.839 0.000) 0.839 5.276 ( 0.000 -2.431 0.000) 2.431 5.335 ( 0.000 -2.029 0.000) 2.029 5.365 ( 0.000 1.116 0.000) 1.116 5.392 ( 0.000 -3.989 0.000) 3.989 5.406 ( 0.000 -0.272 0.000) 0.272 5.434 ( 0.000 -1.471 0.000) 1.471 5.444 ( 0.000 1.267 0.000) 1.267 5.460 ( 0.000 0.754 0.000) 0.754 5.500 ( 0.000 3.047 0.000) 3.047 5.555 ( 0.000 0.518 0.000) 0.518 5.565 ( 0.000 -4.312 0.000) 4.312 5.607 ( 0.000 2.390 0.000) 2.390 5.611 ( 0.000 -0.857 0.000) 0.857 5.656 ( 0.000 -0.913 0.000) 0.913 5.699 ( 0.000 0.058 0.000) 0.058 5.715 ( 0.000 -3.837 0.000) 3.837 5.742 ( 0.000 1.249 0.000) 1.249 5.780 ( 0.000 3.028 0.000) 3.028 5.831 ( 0.000 2.926 0.000) 2.926 5.841 ( 0.000 -0.385 0.000) 0.385 5.945 ( 0.000 -1.271 0.000) 1.271 5.962 ( 0.000 -3.521 0.000) 3.521 5.965 ( 0.000 1.499 0.000) 1.499 6.005 ( 0.000 -0.912 0.000) 0.912 6.046 ( 0.000 -7.818 0.000) 7.818 6.059 ( 0.000 0.478 0.000) 0.478 6.127 ( 0.000 -1.764 0.000) 1.764 6.193 ( 0.000 -5.286 0.000) 5.286 6.212 ( 0.000 -2.492 0.000) 2.492 6.266 ( 0.000 -1.622 0.000) 1.622 6.299 ( 0.000 0.194 0.000) 0.194 6.326 ( 0.000 1.146 0.000) 1.146 6.354 ( 0.000 -0.211 0.000) 0.211 6.391 ( 0.000 -0.681 0.000) 0.681 6.441 ( 0.000 -1.810 0.000) 1.810 6.481 ( 0.000 -0.650 0.000) 0.650 6.483 ( 0.000 2.155 0.000) 2.155 6.526 ( 0.000 1.013 0.000) 1.013 6.533 ( 0.000 -1.118 0.000) 1.118 6.572 ( 0.000 0.561 0.000) 0.561 6.599 ( 0.000 -4.183 0.000) 4.183 6.621 ( 0.000 0.823 0.000) 0.823 6.748 ( 0.000 0.963 0.000) 0.963 6.770 ( 0.000 -0.284 0.000) 0.284 6.838 ( 0.000 4.668 0.000) 4.668 6.874 ( 0.000 1.120 0.000) 1.120 6.903 ( 0.000 3.032 0.000) 3.032 6.932 ( 0.000 1.567 0.000) 1.567 6.961 ( 0.000 7.805 0.000) 7.805 7.057 ( 0.000 4.040 0.000) 4.040 7.172 ( 0.000 2.918 0.000) 2.918 7.208 ( 0.000 -1.394 0.000) 1.394 7.334 ( 0.000 -1.603 0.000) 1.603 7.440 ( 0.000 -2.383 0.000) 2.383 7.504 ( 0.000 -1.966 0.000) 1.966 7.506 ( 0.000 -2.023 0.000) 2.023 7.566 ( 0.000 -1.539 0.000) 1.539 7.596 ( 0.000 -1.933 0.000) 1.933 7.772 ( 0.000 -7.957 0.000) 7.957 7.956 ( 0.000 -7.970 0.000) 7.970 8.110 ( 0.000 9.777 0.000) 9.777 8.206 ( 0.000 4.050 0.000) 4.050 8.449 ( 0.000 -3.313 0.000) 3.313 8.507 ( 0.000 1.414 0.000) 1.414 8.555 ( 0.000 1.363 0.000) 1.363 8.645 ( 0.000 -1.556 0.000) 1.556 8.704 ( 0.000 -5.417 0.000) 5.417 8.792 ( 0.000 2.834 0.000) 2.834 8.922 ( 0.000 3.322 0.000) 3.322 9.226 ( 0.000 -8.838 0.000) 8.838 9.737 ( 0.000 -4.143 0.000) 4.143 9.744 ( 0.000 -0.344 0.000) 0.344 18.269 ( 0.000 0.169 0.000) 0.169 18.278 ( 0.000 -0.088 0.000) 0.088 19.054 ( 0.000 0.079 0.000) 0.079 19.059 ( 0.000 -0.056 0.000) 0.056 19.109 ( 0.000 0.075 0.000) 0.075 19.111 ( 0.000 0.103 0.000) 0.103 19.118 ( 0.000 -0.130 0.000) 0.130 19.120 ( 0.000 -0.120 0.000) 0.120 19.225 ( 0.000 -0.050 0.000) 0.050 19.234 ( 0.000 -0.305 0.000) 0.305 19.280 ( 0.000 -0.028 0.000) 0.028 19.284 ( 0.000 -0.103 0.000) 0.103 19.285 ( 0.000 0.243 0.000) 0.243 19.287 ( 0.000 0.129 0.000) 0.129 19.310 ( 0.000 0.109 0.000) 0.109 19.311 ( 0.000 0.076 0.000) 0.076 19.464 ( 0.000 0.301 0.000) 0.301 19.478 ( 0.000 -0.071 0.000) 0.071 19.480 ( 0.000 0.022 0.000) 0.022 19.510 ( 0.000 -0.887 0.000) 0.887 19.525 ( 0.000 0.078 0.000) 0.078 19.529 ( 0.000 0.061 0.000) 0.061 19.530 ( 0.000 0.025 0.000) 0.025 19.536 ( 0.000 -0.540 0.000) 0.540 19.627 ( 0.000 1.269 0.000) 1.269 19.659 ( 0.000 0.109 0.000) 0.109 19.673 ( 0.000 -0.116 0.000) 0.116 19.674 ( 0.000 -0.148 0.000) 0.148 19.709 ( 0.000 0.068 0.000) 0.068 19.711 ( 0.000 0.016 0.000) 0.016 19.789 ( 0.000 0.323 0.000) 0.323 19.810 ( 0.000 -0.260 0.000) 0.260 37.930 ( 0.000 -0.628 0.000) 0.628 37.935 ( 0.000 -0.681 0.000) 0.681 37.939 ( 0.000 -0.216 0.000) 0.216 37.945 ( 0.000 -0.087 0.000) 0.087 37.994 ( 0.000 -0.192 0.000) 0.192 38.000 ( 0.000 -0.197 0.000) 0.197 38.017 ( 0.000 -0.407 0.000) 0.407 38.025 ( 0.000 -0.187 0.000) 0.187 38.063 ( 0.000 0.783 0.000) 0.783 38.074 ( 0.000 1.282 0.000) 1.282 38.074 ( 0.000 0.183 0.000) 0.183 38.086 ( 0.000 0.701 0.000) 0.701 38.240 ( 0.000 -0.099 0.000) 0.099 38.246 ( 0.000 -0.031 0.000) 0.031 38.389 ( 0.000 0.616 0.000) 0.616 38.391 ( 0.000 0.703 0.000) 0.703 60.438 ( 0.000 3.901 0.000) 3.901 60.503 ( 0.000 1.673 0.000) 1.673 60.640 ( 0.000 -2.053 0.000) 2.053 60.672 ( 0.000 -1.246 0.000) 1.246 60.748 ( 0.000 -2.225 0.000) 2.225 60.775 ( 0.000 -2.490 0.000) 2.490 60.901 ( 0.000 3.261 0.000) 3.261 60.942 ( 0.000 4.213 0.000) 4.213 61.072 ( 0.000 0.104 0.000) 0.104 61.141 ( 0.000 -0.940 0.000) 0.940 61.358 ( 0.000 4.549 0.000) 4.549 61.888 ( 0.000 -11.177 0.000) 11.177 62.030 ( 0.000 -0.178 0.000) 0.178 62.140 ( 0.000 -1.944 0.000) 1.944 62.774 ( 0.000 15.899 0.000) 15.899 63.530 ( 0.000 -7.032 0.000) 7.032 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 12.929 14.827 5.981) 20.562 0.683 ( 20.702 10.468 2.455) 23.327 1.142 ( 6.743 3.075 -11.188) 13.420 1.250 ( 10.011 21.382 0.621) 23.618 1.348 ( 11.558 20.683 0.927) 23.711 1.474 ( 1.933 1.575 5.918) 6.422 1.599 ( 3.756 3.165 6.556) 8.192 1.635 ( -0.895 -9.603 1.081) 9.705 1.729 ( 0.861 -7.676 -0.092) 7.725 1.789 ( 4.823 -4.851 -1.189) 6.943 1.886 ( -0.484 -3.621 1.605) 3.990 1.933 ( -1.607 3.117 -0.506) 3.543 2.101 ( -3.999 -0.213 1.363) 4.230 2.138 ( -2.794 -2.281 -2.067) 4.157 2.206 ( 3.392 -2.709 -4.048) 5.936 2.263 ( -1.642 1.099 -1.771) 2.653 2.308 ( -0.602 1.425 4.344) 4.611 2.404 ( -3.831 1.368 -1.058) 4.204 2.412 ( -4.561 1.451 -0.879) 4.866 2.463 ( -6.590 -2.057 2.540) 7.356 2.480 ( -5.141 -1.227 -1.979) 5.643 2.532 ( -1.535 3.529 -4.970) 6.285 2.579 ( 0.359 0.398 -2.550) 2.605 2.586 ( -3.180 0.672 0.347) 3.269 2.634 ( 3.697 2.098 1.781) 4.609 2.707 ( 4.443 -0.630 -1.965) 4.899 2.727 ( 4.563 1.912 -0.728) 5.001 2.750 ( 7.977 1.484 -4.687) 9.370 2.830 ( 2.342 0.466 -0.948) 2.570 2.865 ( 3.007 0.554 1.105) 3.251 2.916 ( 5.046 1.661 -1.503) 5.521 3.018 ( 4.223 0.928 -1.389) 4.541 3.138 ( 6.334 -0.917 3.071) 7.098 3.162 ( 6.439 -0.296 0.960) 6.517 3.223 ( 6.228 0.691 1.916) 6.552 3.258 ( 9.927 -1.891 -3.359) 10.649 3.296 ( 4.439 0.050 4.917) 6.624 3.494 ( 1.723 -4.529 2.010) 5.246 3.550 ( 5.005 -5.993 -1.673) 7.986 3.712 ( 0.653 4.294 2.590) 5.057 3.804 ( 1.378 -4.036 -0.718) 4.325 3.886 ( -0.148 -0.158 -4.275) 4.280 4.058 ( -0.260 5.696 -1.123) 5.811 4.086 ( 1.402 5.491 4.444) 7.202 4.168 ( -0.988 9.847 -2.167) 10.131 4.241 ( -1.542 2.991 1.810) 3.821 4.372 ( 4.191 1.196 0.768) 4.426 4.397 ( 2.342 3.515 -3.142) 5.264 4.444 ( 2.289 -0.234 2.665) 3.521 4.511 ( 2.326 1.372 -2.136) 3.443 4.541 ( 1.011 0.034 -1.649) 1.935 4.565 ( 1.055 2.025 0.052) 2.284 4.622 ( 2.430 2.997 2.214) 4.449 4.680 ( -2.027 0.286 2.167) 2.982 4.757 ( 0.002 -1.222 0.055) 1.223 4.834 ( -0.937 -2.317 2.785) 3.742 4.873 ( -0.411 2.491 2.714) 3.706 4.889 ( -1.265 3.476 -1.785) 4.107 4.942 ( -0.315 -4.053 0.728) 4.130 4.984 ( 1.763 -2.899 -0.645) 3.453 5.013 ( 0.004 -0.779 0.488) 0.920 5.052 ( 0.988 -0.250 0.534) 1.151 5.085 ( -0.806 -0.495 -1.207) 1.534 5.145 ( -0.639 1.489 1.950) 2.536 5.154 ( -1.046 -1.051 -1.183) 1.897 5.181 ( -0.059 0.281 0.702) 0.759 5.215 ( 0.569 0.217 0.092) 0.616 5.238 ( -0.829 0.973 -0.738) 1.476 5.298 ( 0.757 -1.593 -2.244) 2.854 5.314 ( 1.048 -4.136 -1.591) 4.553 5.362 ( 0.464 0.161 0.552) 0.739 5.386 ( 1.238 -1.600 0.227) 2.036 5.390 ( -1.435 -3.564 -0.299) 3.853 5.433 ( -1.264 1.620 0.088) 2.056 5.486 ( -0.146 1.462 -0.836) 1.691 5.492 ( -0.178 -2.922 -1.443) 3.264 5.531 ( 0.371 -1.394 1.083) 1.804 5.540 ( 0.420 -0.307 -2.128) 2.191 5.557 ( -2.766 -2.606 2.866) 4.759 5.593 ( 1.576 0.986 1.887) 2.649 5.670 ( 2.253 -0.454 -1.153) 2.572 5.681 ( 1.237 0.063 1.207) 1.729 5.718 ( 3.372 -4.917 -3.341) 6.834 5.734 ( 0.234 -2.493 -4.097) 4.802 5.741 ( 1.724 2.652 -1.340) 3.435 5.793 ( 1.801 2.609 1.672) 3.584 5.804 ( -1.293 3.810 1.180) 4.194 5.849 ( 0.530 -3.068 -0.762) 3.205 5.923 ( -1.938 0.079 -0.184) 1.948 5.935 ( -1.349 -0.536 -1.468) 2.065 5.991 ( 0.295 -1.478 1.926) 2.446 6.011 ( -0.222 0.536 -1.385) 1.502 6.028 ( -1.425 -6.466 4.050) 7.761 6.057 ( -1.869 -1.137 1.002) 2.406 6.086 ( -2.767 -1.882 -1.435) 3.641 6.165 ( -2.476 -5.465 -1.254) 6.130 6.183 ( -2.151 -1.232 -0.514) 2.532 6.248 ( -1.056 -1.703 -4.227) 4.678 6.266 ( -3.310 3.226 -1.416) 4.834 6.327 ( 0.046 -0.703 0.981) 1.208 6.354 ( 1.094 -1.485 -0.942) 2.071 6.369 ( 0.593 -2.230 2.144) 3.150 6.464 ( 0.015 0.963 1.644) 1.905 6.472 ( -0.213 0.351 0.993) 1.074 6.498 ( -0.768 -1.063 -0.374) 1.363 6.508 ( 1.801 -0.078 -0.816) 1.979 6.564 ( 1.805 0.981 0.532) 2.122 6.603 ( 1.254 -4.044 -1.522) 4.499 6.615 ( 0.270 -0.296 0.401) 0.567 6.637 ( 2.187 0.051 4.383) 4.898 6.729 ( -0.053 0.222 -3.013) 3.022 6.793 ( -3.742 2.816 1.524) 4.925 6.808 ( -0.386 2.464 0.733) 2.599 6.846 ( -1.447 2.260 1.091) 2.897 6.887 ( -2.146 4.766 -1.268) 5.379 6.928 ( -0.358 3.168 -1.107) 3.375 6.939 ( -0.434 5.124 3.651) 6.307 7.096 ( 3.362 4.576 -1.905) 5.989 7.164 ( 0.227 1.900 0.150) 1.920 7.251 ( 1.756 -0.894 2.451) 3.145 7.353 ( 1.240 -2.295 0.299) 2.625 7.407 ( -1.483 -1.442 -2.363) 3.140 7.475 ( -0.807 -0.073 -1.901) 2.066 7.488 ( -1.134 -2.771 -0.135) 2.998 7.625 ( 3.270 -3.200 -2.017) 5.000 7.638 ( 2.897 -2.980 2.446) 4.822 7.753 ( -1.975 -6.592 1.439) 7.030 7.944 ( -0.291 -7.485 -3.186) 8.140 8.024 ( -6.708 4.498 3.954) 8.992 8.146 ( -6.404 5.535 0.352) 8.472 8.347 ( -8.183 -3.463 -0.288) 8.890 8.455 ( -5.992 2.572 -1.789) 6.762 8.570 ( -0.267 2.547 -0.385) 2.590 8.660 ( -1.741 -3.402 -0.164) 3.825 8.682 ( 0.552 -2.235 1.916) 2.995 8.759 ( -2.017 1.409 -1.505) 2.884 8.848 ( -7.918 3.396 4.724) 9.826 8.935 ( -15.965 3.063 -1.171) 16.298 9.675 ( -5.507 -2.272 -0.070) 5.957 9.697 ( -4.112 -2.067 -0.201) 4.607 18.324 ( 5.246 -0.253 0.204) 5.256 18.358 ( 6.284 -1.740 -1.181) 6.626 19.038 ( -1.676 0.039 0.083) 1.678 19.041 ( -1.716 -0.005 -0.047) 1.717 19.109 ( 0.174 0.161 0.051) 0.243 19.113 ( 0.207 0.125 -0.045) 0.246 19.122 ( 0.345 -0.197 0.130) 0.418 19.130 ( 0.559 -0.507 -0.399) 0.854 19.234 ( 0.338 -0.243 -0.052) 0.419 19.237 ( 0.454 -0.586 -0.047) 0.743 19.276 ( -0.179 0.105 0.027) 0.209 19.283 ( -0.132 0.165 -0.163) 0.267 19.288 ( 0.137 -0.145 0.063) 0.209 19.299 ( 0.673 -0.653 -0.053) 0.939 19.310 ( -0.026 0.099 0.014) 0.104 19.310 ( -0.032 0.055 -0.034) 0.072 19.466 ( 0.148 0.286 0.099) 0.337 19.475 ( 0.053 0.209 -0.288) 0.360 19.487 ( -0.079 -0.321 1.071) 1.121 19.507 ( -0.241 -0.803 -0.230) 0.869 19.524 ( -0.172 0.086 0.111) 0.222 19.527 ( -0.135 0.041 -0.069) 0.157 19.529 ( -0.072 -0.001 -0.006) 0.073 19.535 ( -0.133 -0.430 -0.037) 0.451 19.627 ( -0.025 1.167 0.079) 1.170 19.640 ( -0.919 1.373 -0.296) 1.678 19.669 ( -0.287 -0.139 0.020) 0.320 19.672 ( -0.192 -0.130 -0.031) 0.234 19.712 ( 0.317 0.049 0.038) 0.324 19.715 ( 0.335 -0.032 -0.054) 0.341 19.788 ( -0.273 0.235 0.273) 0.452 19.803 ( -0.494 -0.070 -0.140) 0.518 37.929 ( -0.068 -0.363 -0.081) 0.378 37.935 ( -0.047 -0.509 0.224) 0.558 37.941 ( 0.137 -0.379 -0.218) 0.459 37.946 ( 0.086 -0.162 0.190) 0.264 37.995 ( 0.160 -0.180 -0.065) 0.249 38.002 ( 0.133 -0.046 0.015) 0.141 38.019 ( 0.088 -0.422 0.101) 0.442 38.025 ( 0.008 -0.303 0.059) 0.309 38.061 ( -0.250 0.601 -0.179) 0.675 38.071 ( 0.142 0.556 -0.358) 0.676 38.081 ( -0.118 0.983 0.660) 1.191 38.087 ( 0.023 0.787 0.184) 0.809 38.247 ( 0.634 -0.069 0.058) 0.640 38.249 ( 0.418 -0.006 -0.173) 0.453 38.382 ( -0.891 0.655 0.093) 1.109 38.384 ( -0.601 0.497 0.117) 0.789 60.466 ( 1.968 3.113 1.808) 4.103 60.522 ( 2.035 2.541 -0.288) 3.268 60.659 ( 1.762 -1.935 -0.170) 2.623 60.691 ( 2.534 -1.564 -1.054) 3.159 60.775 ( 3.295 -0.855 1.938) 3.918 60.864 ( 5.565 -1.376 0.690) 5.774 60.915 ( 5.075 3.085 -2.689) 6.519 61.045 ( 7.831 1.490 1.799) 8.172 61.059 ( 0.654 1.010 -2.029) 2.359 61.164 ( 3.622 5.055 -5.702) 8.437 61.302 ( -7.330 7.669 14.792) 18.202 61.745 ( -6.301 -7.685 -10.498) 14.456 61.970 ( -3.803 -0.940 6.118) 7.265 62.176 ( -1.427 -4.684 -2.026) 5.299 62.667 ( -11.001 13.259 2.065) 17.352 63.172 ( -19.619 6.737 -3.674) 21.066 ======================= Grid point 11 (8/39) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 15.697 6.336 8.434) 18.912 1.119 ( 18.785 5.244 4.347) 19.981 1.186 ( 7.696 2.992 -9.331) 12.460 1.355 ( 11.132 11.843 -4.844) 16.960 1.526 ( -0.368 -0.253 -0.072) 0.453 1.651 ( 3.090 -5.674 0.908) 6.524 1.678 ( 2.515 1.074 -1.231) 2.999 1.754 ( 1.780 -4.215 -0.094) 4.576 1.768 ( 9.774 5.434 6.746) 13.060 1.849 ( 2.165 2.838 0.569) 3.614 1.896 ( 1.090 0.807 -0.333) 1.396 1.970 ( 2.632 -1.128 3.087) 4.210 2.027 ( -1.230 -1.180 -0.179) 1.714 2.093 ( -1.340 -2.312 1.867) 3.260 2.180 ( -4.443 1.937 0.235) 4.853 2.242 ( -1.158 -0.847 0.495) 1.517 2.274 ( -5.745 1.574 2.340) 6.400 2.295 ( -6.407 -0.296 -0.850) 6.470 2.352 ( -0.912 0.593 -0.427) 1.169 2.368 ( -3.040 0.101 -0.087) 3.043 2.386 ( -0.657 -1.227 -3.498) 3.765 2.431 ( -3.391 1.474 -2.562) 4.498 2.519 ( -2.283 1.724 0.420) 2.891 2.559 ( -2.272 -0.465 1.294) 2.655 2.768 ( 8.311 -0.689 -5.133) 9.792 2.786 ( 7.221 2.612 -5.053) 9.192 2.829 ( 4.528 0.415 1.710) 4.858 2.890 ( 8.690 1.920 -4.812) 10.117 2.906 ( 5.913 0.215 0.336) 5.926 2.960 ( 5.893 1.919 0.457) 6.214 3.010 ( 4.480 1.610 0.249) 4.767 3.105 ( 5.662 -1.070 -1.926) 6.075 3.264 ( 3.866 1.036 1.644) 4.327 3.278 ( 4.298 1.251 1.806) 4.827 3.316 ( 4.660 1.365 -0.644) 4.899 3.437 ( 6.465 0.637 -0.315) 6.504 3.563 ( 15.081 0.807 4.503) 15.760 3.574 ( 4.068 -2.654 5.988) 7.710 3.681 ( 7.979 -4.854 -4.632) 10.425 3.732 ( 3.522 3.442 -0.003) 4.925 3.867 ( 4.043 -1.200 1.061) 4.349 3.890 ( 3.179 -1.681 -2.929) 4.638 4.009 ( -0.714 4.276 -2.143) 4.836 4.132 ( -0.833 7.084 -0.550) 7.154 4.215 ( 0.212 2.103 0.373) 2.146 4.230 ( 5.841 5.787 3.607) 8.979 4.400 ( -0.535 -0.618 -4.530) 4.603 4.440 ( 2.664 1.115 -1.579) 3.292 4.504 ( 4.174 -0.909 -0.819) 4.350 4.553 ( 0.422 1.410 2.318) 2.745 4.590 ( 2.945 0.148 0.105) 2.951 4.641 ( 0.705 4.316 1.731) 4.703 4.652 ( 5.321 -1.409 2.063) 5.878 4.727 ( 2.041 1.269 0.840) 2.546 4.739 ( 0.481 1.427 1.961) 2.472 4.803 ( -0.647 1.639 1.287) 2.182 4.859 ( 0.229 -3.124 -2.173) 3.813 4.911 ( 1.099 1.388 1.453) 2.291 4.931 ( -1.194 -3.708 1.110) 4.051 4.970 ( -3.251 -0.112 -1.493) 3.579 5.009 ( 0.314 -1.344 2.866) 3.181 5.060 ( -1.549 -3.244 -0.853) 3.695 5.124 ( -1.441 -0.438 1.294) 1.986 5.130 ( -1.478 2.715 1.863) 3.609 5.138 ( 3.135 -2.495 1.056) 4.144 5.182 ( 0.914 1.075 1.360) 1.960 5.220 ( 0.573 -1.332 -0.712) 1.615 5.253 ( -1.370 0.087 -2.889) 3.199 5.255 ( -1.422 1.352 -1.619) 2.544 5.292 ( -1.703 -0.350 0.521) 1.815 5.347 ( -1.931 -3.926 -1.364) 4.583 5.362 ( -1.539 -1.746 -0.795) 2.459 5.392 ( -0.949 0.576 -0.932) 1.450 5.431 ( -0.854 -0.187 2.249) 2.413 5.446 ( -1.550 -3.900 -2.015) 4.656 5.474 ( -1.158 1.376 0.591) 1.892 5.480 ( -1.094 -0.773 -2.323) 2.682 5.515 ( -4.140 -0.978 0.413) 4.274 5.538 ( -0.512 0.211 -1.350) 1.459 5.595 ( -3.717 0.912 1.378) 4.067 5.616 ( -2.098 2.645 1.909) 3.879 5.679 ( -2.002 -3.062 -1.008) 3.794 5.696 ( -1.149 1.111 -0.610) 1.711 5.722 ( -1.390 1.234 -0.816) 2.030 5.754 ( -3.494 0.528 1.025) 3.679 5.791 ( 1.758 -0.036 -6.079) 6.328 5.833 ( -3.444 1.819 0.320) 3.908 5.862 ( 2.436 1.256 -2.264) 3.555 5.866 ( -4.103 1.191 0.756) 4.338 5.934 ( 4.303 -1.898 0.838) 4.777 5.964 ( -3.980 -2.118 -0.701) 4.563 5.983 ( 0.060 -0.095 0.661) 0.670 6.011 ( -1.749 1.541 2.546) 3.452 6.047 ( -0.211 -2.439 0.881) 2.602 6.061 ( -1.319 -1.451 -3.639) 4.134 6.114 ( 0.409 -2.616 3.106) 4.082 6.141 ( -0.766 -0.565 -2.321) 2.509 6.187 ( -1.691 0.353 -2.106) 2.724 6.199 ( -2.897 -2.863 1.417) 4.312 6.293 ( -3.645 -0.404 -1.443) 3.941 6.361 ( -1.330 -0.466 3.105) 3.410 6.387 ( -0.070 -2.555 -1.014) 2.750 6.440 ( -1.958 1.863 -0.947) 2.864 6.445 ( -1.598 0.670 -1.323) 2.181 6.539 ( 1.382 0.981 0.030) 1.695 6.542 ( -0.219 -2.596 3.060) 4.019 6.614 ( 1.525 -0.154 -0.420) 1.590 6.628 ( 4.946 0.678 -4.226) 6.541 6.660 ( 3.038 -1.521 2.002) 3.943 6.689 ( -0.134 1.503 0.014) 1.509 6.719 ( 1.616 -1.321 1.589) 2.623 6.747 ( -1.581 2.550 0.333) 3.019 6.777 ( -0.284 1.510 2.013) 2.532 6.802 ( -2.764 7.295 0.313) 7.807 6.864 ( 0.253 6.154 0.625) 6.190 6.934 ( -0.425 3.119 2.968) 4.327 6.981 ( 3.044 2.659 0.072) 4.042 7.139 ( 3.806 5.573 -6.216) 9.175 7.177 ( -0.227 1.997 2.773) 3.425 7.294 ( 0.546 -2.595 1.586) 3.090 7.349 ( -0.714 -3.747 -2.175) 4.391 7.386 ( -0.504 0.945 -0.664) 1.260 7.442 ( -0.893 0.153 0.832) 1.230 7.475 ( -0.344 -1.172 -0.060) 1.223 7.624 ( -2.420 -5.258 -0.229) 5.792 7.702 ( 1.202 -3.514 1.095) 3.872 7.740 ( 0.353 -3.784 -1.486) 4.081 7.906 ( -0.852 -6.148 -3.318) 7.038 7.919 ( -8.865 3.786 4.010) 10.440 8.007 ( -5.458 -2.750 1.263) 6.241 8.178 ( -7.309 -2.745 -0.347) 7.815 8.302 ( -8.141 -2.778 -0.464) 8.614 8.443 ( -9.093 -1.996 1.765) 9.475 8.589 ( -7.609 1.073 -1.081) 7.760 8.622 ( -8.475 0.174 1.470) 8.603 8.703 ( -7.844 0.614 0.880) 7.917 8.749 ( 6.444 -0.043 -3.966) 7.567 8.859 ( 4.520 -0.037 4.034) 6.059 9.531 ( -8.456 -2.120 -0.421) 8.728 9.576 ( -7.970 -1.131 0.110) 8.051 18.462 ( 7.825 -0.541 0.402) 7.854 18.487 ( 7.434 -0.797 -0.795) 7.519 18.987 ( -3.488 -0.004 0.043) 3.488 18.990 ( -3.413 -0.004 -0.031) 3.413 19.115 ( 0.314 0.079 0.005) 0.324 19.118 ( 0.318 0.194 0.022) 0.373 19.131 ( 0.320 -0.337 0.028) 0.466 19.135 ( 0.296 -0.225 -0.108) 0.387 19.241 ( 0.376 -0.194 -0.062) 0.428 19.245 ( 0.305 -0.446 -0.041) 0.542 19.274 ( -0.119 0.079 0.116) 0.184 19.278 ( -0.241 0.151 -0.163) 0.328 19.290 ( 0.078 -0.149 0.115) 0.204 19.301 ( -0.230 -0.151 -0.190) 0.335 19.309 ( -0.005 0.067 -0.024) 0.071 19.313 ( 0.262 -0.358 -0.179) 0.478 19.471 ( 0.254 0.245 0.142) 0.380 19.476 ( 0.202 0.147 -0.148) 0.290 19.491 ( -0.116 -0.225 0.776) 0.817 19.498 ( -0.323 -0.523 -0.423) 0.746 19.520 ( -0.305 0.118 0.128) 0.352 19.523 ( -0.219 -0.032 0.001) 0.221 19.527 ( -0.103 -0.086 -0.065) 0.149 19.531 ( -0.173 -0.237 -0.050) 0.298 19.627 ( -0.007 0.944 -0.007) 0.944 19.631 ( 0.069 1.006 -0.017) 1.008 19.662 ( -0.451 -0.084 0.019) 0.459 19.666 ( -0.365 -0.018 -0.028) 0.367 19.722 ( 0.556 0.002 0.057) 0.559 19.724 ( 0.578 -0.049 -0.064) 0.583 19.782 ( -0.498 0.120 0.237) 0.564 19.790 ( -0.618 -0.058 -0.179) 0.646 37.929 ( 0.191 -0.090 -0.079) 0.225 37.937 ( 0.062 -0.215 0.173) 0.283 37.942 ( 0.198 -0.226 -0.223) 0.374 37.950 ( 0.081 -0.150 0.134) 0.217 37.998 ( 0.178 -0.118 -0.024) 0.214 38.004 ( 0.049 0.013 0.039) 0.064 38.018 ( -0.194 -0.446 -0.068) 0.491 38.024 ( -0.221 -0.365 -0.006) 0.426 38.056 ( -0.083 0.476 -0.058) 0.487 38.069 ( -0.127 0.837 -0.230) 0.877 38.079 ( -0.255 0.598 0.321) 0.725 38.087 ( -0.185 0.689 0.092) 0.719 38.261 ( 0.876 0.087 -0.101) 0.886 38.265 ( 1.037 -0.035 0.043) 1.038 38.360 ( -1.303 0.528 0.038) 1.407 38.369 ( -1.036 0.290 0.026) 1.076 60.530 ( 2.769 1.868 1.760) 3.775 60.570 ( 2.361 3.452 0.187) 4.186 60.708 ( 3.029 -2.190 0.457) 3.765 60.755 ( 4.246 -0.702 -0.982) 4.414 60.881 ( 4.873 0.827 1.922) 5.303 60.951 ( 5.680 3.917 -2.777) 7.437 61.058 ( 3.016 -0.504 -2.535) 3.972 61.093 ( 6.775 1.559 2.574) 7.414 61.216 ( 6.597 6.427 -0.368) 9.217 61.268 ( 11.605 0.278 0.754) 11.633 61.341 ( 2.708 1.168 7.852) 8.387 61.547 ( -5.563 -4.351 -9.583) 11.904 61.913 ( -5.228 -4.655 0.359) 7.009 62.090 ( -6.783 -4.026 4.627) 9.145 62.412 ( -13.979 9.747 -0.737) 17.058 62.799 ( -17.362 3.388 -1.924) 17.794 ======================= Grid point 12 (9/39) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 9.259 2.548 1.688) 9.750 1.358 ( 13.997 2.598 1.323) 14.297 1.475 ( 1.087 -1.124 -3.384) 3.728 1.506 ( 10.773 1.340 4.005) 11.571 1.566 ( 9.146 1.962 0.510) 9.368 1.698 ( 4.199 2.250 -2.548) 5.403 1.726 ( 2.376 0.446 -0.950) 2.598 1.780 ( 0.145 1.487 0.349) 1.534 1.854 ( 2.210 -0.306 -2.159) 3.105 1.863 ( -1.101 1.986 0.198) 2.280 1.876 ( -3.034 -2.224 0.096) 3.763 2.000 ( -0.330 -1.918 0.903) 2.145 2.027 ( -3.785 2.453 -0.174) 4.514 2.065 ( -2.439 -1.985 0.669) 3.215 2.113 ( -4.455 -0.345 2.444) 5.093 2.132 ( -5.517 -2.057 -0.542) 5.913 2.203 ( -0.388 0.902 -1.330) 1.653 2.268 ( -0.745 -0.886 -0.499) 1.261 2.285 ( -3.265 -0.045 1.938) 3.797 2.308 ( -4.222 3.737 1.870) 5.940 2.331 ( -1.952 1.780 3.554) 4.428 2.451 ( 5.287 -2.388 -6.611) 8.795 2.521 ( 1.317 -3.071 -2.740) 4.321 2.526 ( -2.627 -0.606 3.807) 4.665 2.838 ( 4.132 2.573 -2.261) 5.367 2.916 ( 4.955 1.603 -0.675) 5.252 2.938 ( 4.562 1.594 -0.381) 4.847 2.985 ( 4.506 0.796 -2.779) 5.354 3.049 ( 6.267 3.525 -0.441) 7.204 3.093 ( 3.935 1.849 0.098) 4.349 3.095 ( 4.991 1.481 3.934) 6.525 3.192 ( 4.049 -1.983 -2.837) 5.326 3.331 ( 2.274 2.772 1.756) 3.992 3.368 ( 2.331 2.844 2.579) 4.491 3.387 ( 2.493 1.783 -0.413) 3.093 3.487 ( 0.209 2.121 -0.808) 2.279 3.725 ( 7.467 1.726 0.010) 7.663 3.759 ( 4.830 0.460 3.571) 6.024 3.818 ( 4.572 -1.200 -1.938) 5.109 3.908 ( 11.299 0.106 -0.698) 11.321 3.965 ( 4.295 2.845 -3.153) 6.040 3.986 ( 7.943 -0.295 0.840) 7.993 4.052 ( 6.307 2.129 -1.307) 6.783 4.106 ( 0.726 2.983 0.688) 3.146 4.166 ( -2.555 1.633 0.296) 3.046 4.296 ( -5.442 0.168 -2.721) 6.087 4.464 ( 10.487 -0.633 1.406) 10.600 4.484 ( -0.086 -0.794 -0.054) 0.800 4.568 ( -3.248 1.542 3.409) 4.955 4.601 ( 3.620 0.066 0.484) 3.653 4.650 ( 6.639 0.095 0.969) 6.710 4.654 ( 2.755 -0.064 -0.282) 2.770 4.702 ( -1.938 -0.031 -0.628) 2.038 4.743 ( 2.743 -0.017 -1.424) 3.091 4.790 ( 0.600 -0.407 1.148) 1.358 4.858 ( -0.154 -1.759 1.196) 2.132 4.875 ( 0.795 -0.914 -1.818) 2.185 4.909 ( 0.472 -3.274 1.539) 3.649 4.942 ( 1.847 -1.430 1.777) 2.935 4.949 ( 1.236 -0.773 -0.240) 1.477 4.977 ( -4.728 -5.206 0.207) 7.035 5.017 ( -1.361 -0.169 0.322) 1.409 5.087 ( -1.391 1.335 0.794) 2.085 5.101 ( -1.309 -1.866 2.184) 3.157 5.151 ( -3.181 -0.354 -2.250) 3.912 5.163 ( -2.249 0.330 0.453) 2.318 5.186 ( -3.183 3.714 0.339) 4.903 5.201 ( -2.316 -0.399 -2.823) 3.674 5.239 ( -0.004 -0.039 0.170) 0.175 5.267 ( -1.748 0.599 -1.008) 2.105 5.288 ( -1.364 -2.282 -0.413) 2.691 5.335 ( -3.372 0.772 -0.306) 3.473 5.365 ( 2.040 -1.161 1.837) 2.980 5.397 ( -1.124 1.311 0.198) 1.738 5.410 ( -2.128 0.816 -0.462) 2.326 5.435 ( -2.795 0.139 0.151) 2.803 5.459 ( -1.869 -1.528 -0.174) 2.420 5.502 ( -1.705 0.210 0.152) 1.724 5.527 ( -1.959 -0.192 -0.266) 1.987 5.543 ( -1.447 1.043 0.198) 1.795 5.581 ( -0.123 2.788 0.412) 2.820 5.603 ( -0.112 1.447 1.500) 2.088 5.618 ( -5.329 -4.078 -1.689) 6.920 5.665 ( -1.897 2.591 -0.139) 3.214 5.716 ( -2.666 2.553 -1.333) 3.925 5.730 ( -2.765 -1.117 -2.176) 3.692 5.800 ( 1.372 0.500 -1.466) 2.069 5.809 ( -1.939 0.349 -0.386) 2.007 5.865 ( -4.199 0.418 -0.031) 4.219 5.890 ( -2.270 0.477 -0.785) 2.449 5.908 ( -2.385 -2.467 -0.864) 3.539 5.976 ( -1.391 -0.208 0.899) 1.669 6.020 ( 1.162 1.644 0.244) 2.028 6.073 ( 2.653 0.373 -1.313) 2.984 6.085 ( 0.845 -0.247 -0.205) 0.904 6.101 ( 2.404 -1.180 1.142) 2.911 6.144 ( 0.375 1.772 0.735) 1.955 6.187 ( 0.888 -1.590 3.199) 3.681 6.233 ( 3.673 0.198 2.619) 4.516 6.265 ( 1.641 0.881 -1.344) 2.297 6.302 ( -5.087 -0.050 -2.580) 5.704 6.349 ( -2.547 1.024 -0.577) 2.805 6.365 ( -3.984 1.889 2.973) 5.317 6.428 ( -1.361 -0.621 -0.229) 1.513 6.485 ( -5.474 -0.524 -1.281) 5.646 6.546 ( -0.157 0.017 -1.408) 1.417 6.612 ( 1.759 2.318 -6.306) 6.945 6.643 ( -0.843 1.628 -1.783) 2.557 6.671 ( 1.353 0.192 -0.382) 1.419 6.742 ( -2.379 3.104 3.047) 4.957 6.743 ( 0.821 3.079 2.410) 3.995 6.785 ( 1.299 2.758 3.955) 4.994 6.800 ( 1.372 2.269 1.772) 3.189 6.844 ( 6.104 -1.185 1.620) 6.426 6.932 ( 3.916 4.133 1.888) 5.999 6.954 ( 2.284 0.374 0.400) 2.349 7.057 ( 4.921 5.204 -0.964) 7.226 7.136 ( 0.674 1.280 -4.334) 4.569 7.218 ( 1.242 3.184 2.110) 4.016 7.271 ( -1.627 -3.782 -2.703) 4.926 7.325 ( 0.268 0.351 -0.800) 0.914 7.351 ( -3.437 -0.472 1.112) 3.643 7.447 ( -0.194 3.525 0.908) 3.646 7.483 ( 1.505 0.631 -0.019) 1.632 7.570 ( -3.101 -2.617 1.803) 4.440 7.657 ( -4.931 -3.359 -0.716) 6.010 7.701 ( -2.381 -1.857 -5.146) 5.967 7.758 ( -7.700 -0.113 1.845) 7.919 7.873 ( -0.499 -4.675 -0.650) 4.746 7.965 ( -0.847 -7.076 1.725) 7.332 8.067 ( -4.100 -6.406 0.419) 7.617 8.155 ( -5.507 -4.656 -0.257) 7.216 8.314 ( -4.556 -3.885 1.366) 6.142 8.436 ( -5.822 1.089 0.863) 5.985 8.491 ( -4.821 -4.185 -0.334) 6.393 8.567 ( -5.240 -3.494 -0.417) 6.312 8.909 ( 10.319 0.854 -1.305) 10.436 9.001 ( 7.485 0.470 1.387) 7.627 9.342 ( -10.285 -1.463 -0.102) 10.389 9.393 ( -9.925 -0.331 -0.083) 9.931 18.624 ( 8.038 -0.459 0.014) 8.051 18.637 ( 7.712 -0.225 -0.045) 7.716 18.899 ( -5.380 -0.052 0.051) 5.381 18.904 ( -5.190 -0.032 -0.048) 5.190 19.120 ( 0.193 0.069 -0.072) 0.217 19.125 ( 0.270 0.208 0.095) 0.354 19.134 ( 0.105 -0.251 -0.179) 0.326 19.141 ( 0.186 -0.194 0.184) 0.326 19.247 ( 0.211 -0.219 -0.024) 0.305 19.250 ( 0.227 -0.445 0.007) 0.499 19.271 ( -0.199 0.094 -0.141) 0.261 19.275 ( 0.018 0.148 0.271) 0.310 19.290 ( -0.267 -0.099 -0.235) 0.369 19.297 ( -0.010 -0.004 0.270) 0.271 19.308 ( -0.050 0.023 -0.182) 0.190 19.315 ( 0.096 -0.269 -0.128) 0.313 19.477 ( 0.237 0.176 0.097) 0.310 19.480 ( 0.256 0.063 -0.051) 0.268 19.489 ( -0.184 -0.221 -0.390) 0.484 19.494 ( -0.113 -0.095 0.383) 0.411 19.514 ( -0.280 0.134 0.059) 0.317 19.519 ( -0.162 -0.065 0.120) 0.212 19.524 ( -0.109 -0.152 -0.104) 0.214 19.528 ( -0.129 -0.137 -0.040) 0.192 19.630 ( 0.312 0.556 -0.000) 0.638 19.636 ( 0.313 0.640 -0.002) 0.713 19.652 ( -0.472 0.039 0.004) 0.473 19.658 ( -0.475 0.158 -0.008) 0.501 19.734 ( 0.581 -0.012 0.051) 0.584 19.736 ( 0.667 -0.054 -0.055) 0.671 19.772 ( -0.575 -0.001 0.141) 0.592 19.777 ( -0.597 -0.068 -0.126) 0.614 37.936 ( 0.466 0.127 -0.065) 0.487 37.941 ( 0.196 0.117 0.113) 0.255 37.945 ( 0.192 0.056 -0.149) 0.250 37.951 ( -0.061 0.090 0.055) 0.122 38.001 ( 0.131 -0.128 -0.001) 0.184 38.005 ( 0.042 -0.142 0.048) 0.156 38.012 ( -0.252 -0.355 -0.093) 0.445 38.018 ( -0.343 -0.371 -0.025) 0.505 38.056 ( 0.005 0.494 0.046) 0.496 38.063 ( -0.244 0.824 -0.067) 0.862 38.077 ( -0.130 0.148 0.069) 0.209 38.081 ( -0.388 0.345 -0.027) 0.520 38.282 ( 1.205 0.168 0.080) 1.219 38.287 ( 1.207 0.041 -0.100) 1.212 38.334 ( -1.287 0.319 0.131) 1.332 38.344 ( -1.360 0.240 -0.107) 1.385 60.586 ( 1.856 2.580 -0.458) 3.211 60.613 ( 1.534 2.492 1.587) 3.330 60.778 ( 2.657 -1.753 0.893) 3.306 60.819 ( 2.636 -2.046 -0.425) 3.364 60.978 ( 3.336 3.199 1.294) 4.800 61.022 ( 2.376 7.715 -1.590) 8.228 61.088 ( 2.532 0.397 -2.847) 3.831 61.229 ( 5.758 -0.245 3.161) 6.573 61.362 ( 2.820 -1.540 -2.605) 4.136 61.399 ( -2.208 1.218 1.294) 2.835 61.487 ( 13.207 -1.545 -0.692) 13.315 61.595 ( 15.616 -0.136 -0.853) 15.640 61.792 ( -4.758 -4.399 -1.452) 6.640 61.980 ( -8.172 -5.285 5.455) 11.157 62.133 ( -12.795 7.198 -0.697) 14.697 62.429 ( -18.186 1.237 -1.764) 18.313 ======================= Grid point 13 (10/39) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 -1.636 0.000) 1.636 1.442 ( 0.000 -2.793 0.000) 2.793 1.539 ( 0.000 4.357 0.000) 4.357 1.616 ( -0.000 -0.882 0.000) 0.882 1.684 ( 0.000 -1.959 0.000) 1.959 1.735 ( 0.000 -2.065 -0.000) 2.065 1.773 ( -0.000 0.015 0.000) 0.015 1.782 ( 0.000 2.341 0.000) 2.341 1.819 ( -0.000 4.131 0.000) 4.131 1.871 ( -0.000 2.430 0.000) 2.430 1.906 ( 0.000 0.959 0.000) 0.959 1.936 ( 0.000 2.692 -0.000) 2.692 1.954 ( -0.000 4.587 0.000) 4.587 1.992 ( 0.000 -2.340 0.000) 2.340 2.094 ( 0.000 -1.549 -0.000) 1.549 2.131 ( 0.000 -1.494 0.000) 1.494 2.189 ( -0.000 0.934 0.000) 0.934 2.209 ( 0.000 1.173 0.000) 1.173 2.236 ( 0.000 -1.048 0.000) 1.048 2.251 ( 0.000 5.247 0.000) 5.247 2.418 ( 0.000 -6.109 0.000) 6.109 2.477 ( 0.000 -3.880 -0.000) 3.880 2.492 ( 0.000 -1.646 -0.000) 1.646 2.512 ( -0.000 -1.059 0.000) 1.059 2.887 ( 0.000 1.901 0.000) 1.901 2.954 ( -0.000 1.706 0.000) 1.706 2.986 ( 0.000 0.736 -0.000) 0.736 3.015 ( 0.000 3.824 -0.000) 3.824 3.116 ( 0.000 3.069 0.000) 3.069 3.136 ( -0.000 2.213 0.000) 2.213 3.174 ( 0.000 0.237 0.000) 0.237 3.216 ( 0.000 -1.621 -0.000) 1.621 3.373 ( 0.000 3.974 0.000) 3.974 3.399 ( -0.000 4.121 0.000) 4.121 3.402 ( 0.000 0.526 -0.000) 0.526 3.479 ( 0.000 2.238 0.000) 2.238 3.812 ( -0.000 -0.844 0.000) 0.844 3.856 ( 0.000 2.157 0.000) 2.157 3.888 ( -0.000 5.993 0.000) 5.993 3.931 ( 0.000 3.234 0.000) 3.234 4.025 ( 0.000 5.609 0.000) 5.609 4.045 ( 0.000 -0.738 -0.000) 0.738 4.074 ( 0.000 1.317 0.000) 1.317 4.155 ( -0.000 -1.808 0.000) 1.808 4.307 ( 0.000 0.212 -0.000) 0.212 4.325 ( -0.000 -2.094 -0.000) 2.094 4.353 ( -0.000 -3.441 0.000) 3.441 4.385 ( 0.000 0.593 0.000) 0.593 4.617 ( -0.000 1.861 -0.000) 1.861 4.649 ( 0.000 -1.588 0.000) 1.588 4.666 ( -0.000 -1.026 0.000) 1.026 4.699 ( 0.000 -1.712 0.000) 1.712 4.785 ( 0.000 -5.624 -0.000) 5.624 4.792 ( -0.000 -3.200 0.000) 3.200 4.843 ( 0.000 -2.951 0.000) 2.951 4.860 ( 0.000 -1.753 0.000) 1.753 4.864 ( -0.000 -4.329 0.000) 4.329 4.899 ( 0.000 -1.563 0.000) 1.563 4.923 ( 0.000 2.325 0.000) 2.325 4.936 ( -0.000 0.689 -0.000) 0.689 4.967 ( 0.000 -0.672 -0.000) 0.672 5.018 ( -0.000 0.643 0.000) 0.643 5.081 ( 0.000 0.276 0.000) 0.276 5.105 ( 0.000 2.776 0.000) 2.776 5.107 ( 0.000 -2.731 0.000) 2.731 5.148 ( -0.000 1.922 0.000) 1.922 5.159 ( 0.000 0.051 -0.000) 0.051 5.163 ( -0.000 3.117 0.000) 3.117 5.210 ( 0.000 -0.128 0.000) 0.128 5.241 ( 0.000 -0.643 -0.000) 0.643 5.252 ( 0.000 4.978 0.000) 4.978 5.269 ( -0.000 0.149 -0.000) 0.149 5.299 ( 0.000 -1.579 0.000) 1.579 5.387 ( 0.000 -0.493 0.000) 0.493 5.408 ( 0.000 1.059 -0.000) 1.059 5.431 ( 0.000 -0.032 0.000) 0.032 5.456 ( -0.000 0.173 0.000) 0.173 5.480 ( -0.000 -3.103 -0.000) 3.103 5.484 ( 0.000 -0.382 0.000) 0.382 5.542 ( 0.000 -1.215 -0.000) 1.215 5.575 ( -0.000 2.417 0.000) 2.417 5.577 ( 0.000 1.899 -0.000) 1.899 5.652 ( 0.000 -3.147 0.000) 3.147 5.661 ( -0.000 3.331 -0.000) 3.331 5.669 ( 0.000 -2.319 0.000) 2.319 5.686 ( 0.000 -0.047 0.000) 0.047 5.729 ( 0.000 0.268 0.000) 0.268 5.809 ( 0.000 0.421 0.000) 0.421 5.849 ( -0.000 2.526 0.000) 2.526 5.868 ( 0.000 -0.521 0.000) 0.521 5.880 ( 0.000 2.083 -0.000) 2.083 5.932 ( 0.000 -3.067 0.000) 3.067 6.074 ( 0.000 5.845 0.000) 5.845 6.106 ( -0.000 -2.744 -0.000) 2.744 6.107 ( 0.000 0.576 0.000) 0.576 6.149 ( 0.000 0.903 0.000) 0.903 6.167 ( -0.000 2.672 -0.000) 2.672 6.187 ( -0.000 0.612 0.000) 0.612 6.214 ( -0.000 2.538 0.000) 2.538 6.283 ( 0.000 -0.830 0.000) 0.830 6.306 ( 0.000 -0.079 -0.000) 0.079 6.307 ( -0.000 3.368 0.000) 3.368 6.342 ( 0.000 3.085 0.000) 3.085 6.350 ( -0.000 0.361 -0.000) 0.361 6.434 ( 0.000 -2.482 -0.000) 2.482 6.533 ( 0.000 -0.444 0.000) 0.444 6.611 ( 0.000 0.056 -0.000) 0.056 6.624 ( -0.000 4.410 0.000) 4.410 6.678 ( 0.000 -0.328 0.000) 0.328 6.728 ( 0.000 0.998 -0.000) 0.998 6.764 ( -0.000 4.691 0.000) 4.691 6.812 ( -0.000 3.449 0.000) 3.449 6.823 ( 0.000 0.354 -0.000) 0.354 6.925 ( 0.000 1.665 0.000) 1.665 6.967 ( 0.000 -1.758 0.000) 1.758 7.023 ( 0.000 2.750 -0.000) 2.750 7.119 ( 0.000 2.615 0.000) 2.615 7.132 ( 0.000 1.887 -0.000) 1.887 7.217 ( 0.000 -1.092 -0.000) 1.092 7.245 ( 0.000 -1.623 0.000) 1.623 7.292 ( 0.000 1.152 0.000) 1.152 7.361 ( 0.000 5.965 -0.000) 5.965 7.446 ( 0.000 5.009 0.000) 5.009 7.500 ( 0.000 0.926 0.000) 0.926 7.520 ( 0.000 0.351 0.000) 0.351 7.621 ( -0.000 -2.909 -0.000) 2.909 7.623 ( 0.000 -4.666 0.000) 4.666 7.673 ( 0.000 -2.556 0.000) 2.556 7.868 ( 0.000 -4.672 0.000) 4.672 7.975 ( 0.000 -7.556 0.000) 7.556 8.017 ( 0.000 -8.483 0.000) 8.483 8.099 ( 0.000 -4.641 0.000) 4.641 8.274 ( -0.000 -3.742 0.000) 3.742 8.391 ( 0.000 -0.213 -0.000) 0.213 8.434 ( 0.000 -5.458 0.000) 5.458 8.510 ( 0.000 -5.395 0.000) 5.395 9.120 ( -0.002 1.036 0.000) 1.036 9.120 ( 0.002 -0.104 -0.000) 0.104 9.150 ( -0.000 0.258 0.000) 0.258 9.230 ( 0.000 -1.172 0.000) 1.172 18.773 ( 0.000 -0.167 0.000) 0.167 18.775 ( -0.000 -0.141 0.000) 0.141 18.782 ( -0.000 -0.008 0.000) 0.008 18.788 ( 0.000 -0.235 0.000) 0.235 19.121 ( 0.000 0.067 0.000) 0.067 19.128 ( 0.000 0.210 0.000) 0.210 19.134 ( 0.000 -0.202 0.000) 0.202 19.144 ( 0.000 -0.195 0.000) 0.195 19.249 ( 0.000 -0.216 0.000) 0.216 19.252 ( 0.000 -0.517 0.000) 0.517 19.268 ( 0.000 0.093 0.000) 0.093 19.279 ( 0.000 0.507 0.000) 0.507 19.282 ( -0.000 -0.320 -0.000) 0.320 19.300 ( 0.000 -0.094 0.000) 0.094 19.306 ( 0.000 0.050 0.000) 0.050 19.316 ( 0.000 -0.219 0.000) 0.219 19.480 ( 0.000 0.106 0.000) 0.106 19.484 ( 0.000 0.079 -0.000) 0.079 19.485 ( 0.000 -0.129 0.000) 0.129 19.494 ( 0.000 -0.041 0.000) 0.041 19.511 ( 0.000 0.143 0.000) 0.143 19.518 ( 0.000 -0.058 0.000) 0.058 19.522 ( 0.000 -0.180 0.000) 0.180 19.526 ( 0.000 -0.119 0.000) 0.119 19.637 ( 0.000 0.321 0.000) 0.321 19.638 ( 0.000 0.355 0.000) 0.355 19.648 ( 0.000 0.310 0.000) 0.310 19.649 ( -0.000 0.263 0.000) 0.263 19.741 ( 0.000 0.017 0.000) 0.017 19.745 ( 0.000 -0.047 0.000) 0.047 19.765 ( 0.000 -0.040 0.000) 0.040 19.768 ( 0.000 -0.121 0.000) 0.121 37.943 ( -0.000 0.201 0.000) 0.201 37.944 ( 0.000 0.137 0.000) 0.137 37.946 ( -0.000 0.395 0.000) 0.395 37.948 ( 0.000 0.272 0.000) 0.272 38.004 ( 0.000 -0.221 0.000) 0.221 38.005 ( -0.000 -0.331 0.000) 0.331 38.011 ( -0.000 -0.156 0.000) 0.156 38.012 ( 0.000 -0.422 0.000) 0.422 38.056 ( 0.000 0.543 0.000) 0.543 38.061 ( 0.000 0.690 0.000) 0.690 38.075 ( 0.000 0.023 0.000) 0.023 38.077 ( 0.000 0.126 0.000) 0.126 38.304 ( 0.000 0.032 -0.000) 0.032 38.307 ( 0.000 0.200 0.000) 0.200 38.316 ( -0.000 0.171 -0.000) 0.171 38.319 ( -0.000 0.352 0.000) 0.352 60.599 ( 0.000 2.545 0.000) 2.545 60.641 ( 0.000 2.969 0.000) 2.969 60.802 ( 0.000 -2.132 0.000) 2.132 60.851 ( 0.000 -2.518 0.000) 2.518 61.017 ( 0.000 3.915 0.000) 3.915 61.041 ( 0.000 7.860 0.000) 7.860 61.103 ( 0.000 0.523 -0.000) 0.523 61.304 ( 0.000 -0.094 0.000) 0.094 61.338 ( -0.000 -1.854 -0.000) 1.854 61.446 ( 0.000 2.343 0.000) 2.343 61.646 ( 0.000 -7.670 0.000) 7.670 61.725 ( 0.000 -5.398 0.000) 5.398 61.872 ( 0.000 3.526 0.000) 3.526 61.918 ( 0.000 -1.088 0.000) 1.088 61.939 ( -0.000 3.813 0.000) 3.813 62.141 ( 0.000 0.021 0.000) 0.021 ======================= Grid point 18 (11/39) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 18.542 0.000) 18.542 0.968 ( 0.000 22.648 0.000) 22.648 1.064 ( 0.000 -9.502 0.000) 9.502 1.376 ( 0.000 -16.978 0.000) 16.978 1.476 ( 0.000 -1.587 0.000) 1.587 1.531 ( 0.000 2.617 0.000) 2.617 1.575 ( 0.000 0.119 0.000) 0.119 1.577 ( 0.000 8.552 0.000) 8.552 1.662 ( 0.000 2.028 0.000) 2.028 1.751 ( 0.000 6.016 0.000) 6.016 1.773 ( 0.000 6.633 0.000) 6.633 1.934 ( 0.000 -2.356 0.000) 2.356 2.091 ( 0.000 1.985 0.000) 1.985 2.164 ( 0.000 -2.729 0.000) 2.729 2.211 ( 0.000 2.937 0.000) 2.937 2.287 ( 0.000 1.023 0.000) 1.023 2.355 ( 0.000 1.409 0.000) 1.409 2.407 ( 0.000 -4.365 0.000) 4.365 2.485 ( 0.000 0.908 0.000) 0.908 2.527 ( 0.000 0.052 0.000) 0.052 2.529 ( 0.000 -2.217 0.000) 2.217 2.582 ( 0.000 -4.223 0.000) 4.223 2.622 ( 0.000 1.654 0.000) 1.654 2.628 ( 0.000 2.403 0.000) 2.403 2.648 ( 0.000 0.775 0.000) 0.775 2.661 ( 0.000 -0.968 0.000) 0.968 2.707 ( 0.000 1.953 0.000) 1.953 2.715 ( 0.000 0.326 0.000) 0.326 2.830 ( 0.000 2.642 0.000) 2.642 2.867 ( 0.000 1.373 0.000) 1.373 2.950 ( 0.000 5.686 0.000) 5.686 3.004 ( 0.000 0.748 0.000) 0.748 3.033 ( 0.000 -1.466 0.000) 1.466 3.052 ( 0.000 -4.952 0.000) 4.952 3.102 ( 0.000 -0.031 0.000) 0.031 3.130 ( 0.000 -0.847 0.000) 0.847 3.269 ( 0.000 6.872 0.000) 6.872 3.385 ( 0.000 -0.142 0.000) 0.142 3.387 ( 0.000 -5.265 0.000) 5.265 3.572 ( 0.000 -13.897 0.000) 13.897 3.782 ( 0.000 3.950 0.000) 3.950 3.855 ( 0.000 -3.773 0.000) 3.773 4.234 ( 0.000 5.215 0.000) 5.215 4.275 ( 0.000 0.048 0.000) 0.048 4.279 ( 0.000 10.457 0.000) 10.457 4.346 ( 0.000 7.961 0.000) 7.961 4.351 ( 0.000 0.325 0.000) 0.325 4.362 ( 0.000 4.714 0.000) 4.714 4.463 ( 0.000 -7.958 0.000) 7.958 4.526 ( 0.000 -2.908 0.000) 2.908 4.596 ( 0.000 1.789 0.000) 1.789 4.639 ( 0.000 6.101 0.000) 6.101 4.653 ( 0.000 -4.227 0.000) 4.227 4.673 ( 0.000 11.082 0.000) 11.082 4.754 ( 0.000 6.164 0.000) 6.164 4.784 ( 0.000 -5.348 0.000) 5.348 4.803 ( 0.000 -2.801 0.000) 2.801 4.878 ( 0.000 -2.433 0.000) 2.433 4.934 ( 0.000 0.984 0.000) 0.984 4.971 ( 0.000 -2.902 0.000) 2.902 5.040 ( 0.000 -0.663 0.000) 0.663 5.067 ( 0.000 -4.679 0.000) 4.679 5.101 ( 0.000 5.630 0.000) 5.630 5.108 ( 0.000 2.411 0.000) 2.411 5.132 ( 0.000 -1.416 0.000) 1.416 5.143 ( 0.000 -2.249 0.000) 2.249 5.179 ( 0.000 0.106 0.000) 0.106 5.246 ( 0.000 -0.704 0.000) 0.704 5.259 ( 0.000 -2.435 0.000) 2.435 5.302 ( 0.000 -8.133 0.000) 8.133 5.321 ( 0.000 1.340 0.000) 1.340 5.366 ( 0.000 -2.484 0.000) 2.484 5.369 ( 0.000 2.041 0.000) 2.041 5.390 ( 0.000 0.410 0.000) 0.410 5.460 ( 0.000 0.671 0.000) 0.671 5.474 ( 0.000 0.453 0.000) 0.453 5.536 ( 0.000 3.054 0.000) 3.054 5.570 ( 0.000 0.603 0.000) 0.603 5.582 ( 0.000 2.672 0.000) 2.672 5.595 ( 0.000 -0.907 0.000) 0.907 5.603 ( 0.000 -1.684 0.000) 1.684 5.627 ( 0.000 -3.086 0.000) 3.086 5.682 ( 0.000 0.534 0.000) 0.534 5.715 ( 0.000 -0.087 0.000) 0.087 5.806 ( 0.000 4.813 0.000) 4.813 5.814 ( 0.000 -5.045 0.000) 5.045 5.821 ( 0.000 -0.828 0.000) 0.828 5.859 ( 0.000 3.387 0.000) 3.387 5.893 ( 0.000 -1.492 0.000) 1.492 5.900 ( 0.000 -2.877 0.000) 2.877 5.963 ( 0.000 2.350 0.000) 2.350 5.997 ( 0.000 1.123 0.000) 1.123 6.025 ( 0.000 1.497 0.000) 1.497 6.061 ( 0.000 -0.238 0.000) 0.238 6.084 ( 0.000 -2.468 0.000) 2.468 6.097 ( 0.000 -3.643 0.000) 3.643 6.168 ( 0.000 -1.328 0.000) 1.328 6.204 ( 0.000 -4.477 0.000) 4.477 6.311 ( 0.000 1.393 0.000) 1.393 6.331 ( 0.000 0.325 0.000) 0.325 6.350 ( 0.000 -0.256 0.000) 0.256 6.390 ( 0.000 0.621 0.000) 0.621 6.390 ( 0.000 -3.197 0.000) 3.197 6.421 ( 0.000 -3.089 0.000) 3.089 6.522 ( 0.000 1.510 0.000) 1.510 6.532 ( 0.000 0.536 0.000) 0.536 6.544 ( 0.000 1.453 0.000) 1.453 6.573 ( 0.000 -0.707 0.000) 0.707 6.600 ( 0.000 1.515 0.000) 1.515 6.621 ( 0.000 -0.817 0.000) 0.817 6.751 ( 0.000 -0.515 0.000) 0.515 6.753 ( 0.000 -0.845 0.000) 0.845 6.914 ( 0.000 3.084 0.000) 3.084 6.919 ( 0.000 3.469 0.000) 3.469 6.999 ( 0.000 5.478 0.000) 5.478 7.004 ( 0.000 4.271 0.000) 4.271 7.080 ( 0.000 1.721 0.000) 1.721 7.107 ( 0.000 -0.182 0.000) 0.182 7.163 ( 0.000 -2.625 0.000) 2.625 7.183 ( 0.000 -3.279 0.000) 3.279 7.354 ( 0.000 5.062 0.000) 5.062 7.409 ( 0.000 -0.925 0.000) 0.925 7.459 ( 0.000 -1.712 0.000) 1.712 7.473 ( 0.000 0.709 0.000) 0.709 7.549 ( 0.000 -2.619 0.000) 2.619 7.552 ( 0.000 -2.992 0.000) 2.992 7.636 ( 0.000 -0.569 0.000) 0.569 7.770 ( 0.000 -9.727 0.000) 9.727 8.280 ( 0.000 6.468 0.000) 6.468 8.309 ( 0.000 6.223 0.000) 6.223 8.380 ( 0.000 -3.510 0.000) 3.510 8.465 ( 0.000 -8.147 0.000) 8.147 8.544 ( 0.000 1.938 0.000) 1.938 8.593 ( 0.000 -2.871 0.000) 2.871 8.743 ( 0.000 7.819 0.000) 7.819 8.849 ( 0.000 0.831 0.000) 0.831 8.959 ( 0.000 0.423 0.000) 0.423 9.025 ( 0.000 -9.085 0.000) 9.085 9.688 ( 0.000 -0.092 0.000) 0.092 9.718 ( 0.000 -2.101 0.000) 2.101 18.272 ( 0.000 0.193 0.000) 0.193 18.276 ( 0.000 -0.147 0.000) 0.147 19.056 ( 0.000 0.097 0.000) 0.097 19.058 ( 0.000 -0.081 0.000) 0.081 19.111 ( 0.000 0.147 0.000) 0.147 19.113 ( 0.000 0.168 0.000) 0.168 19.115 ( 0.000 -0.179 0.000) 0.179 19.117 ( 0.000 -0.184 0.000) 0.184 19.225 ( 0.000 0.064 0.000) 0.064 19.228 ( 0.000 -0.239 0.000) 0.239 19.280 ( 0.000 0.026 0.000) 0.026 19.281 ( 0.000 -0.100 0.000) 0.100 19.289 ( 0.000 0.115 0.000) 0.115 19.290 ( 0.000 0.069 0.000) 0.069 19.312 ( 0.000 0.080 0.000) 0.080 19.313 ( 0.000 0.024 0.000) 0.024 19.470 ( 0.000 0.328 0.000) 0.328 19.476 ( 0.000 -0.194 0.000) 0.194 19.482 ( 0.000 0.247 0.000) 0.247 19.492 ( 0.000 -0.738 0.000) 0.738 19.527 ( 0.000 0.112 0.000) 0.112 19.529 ( 0.000 -0.062 0.000) 0.062 19.530 ( 0.000 0.005 0.000) 0.005 19.531 ( 0.000 -0.076 0.000) 0.076 19.650 ( 0.000 0.988 0.000) 0.988 19.663 ( 0.000 0.163 0.000) 0.163 19.667 ( 0.000 -0.422 0.000) 0.422 19.670 ( 0.000 -0.290 0.000) 0.290 19.711 ( 0.000 0.084 0.000) 0.084 19.712 ( 0.000 -0.010 0.000) 0.010 19.796 ( 0.000 0.373 0.000) 0.373 19.803 ( 0.000 -0.341 0.000) 0.341 37.920 ( 0.000 -0.251 0.000) 0.251 37.922 ( 0.000 -0.465 0.000) 0.465 37.938 ( 0.000 0.087 0.000) 0.087 37.941 ( 0.000 -0.220 0.000) 0.220 37.989 ( 0.000 -0.149 0.000) 0.149 37.991 ( 0.000 -0.378 0.000) 0.378 38.017 ( 0.000 0.212 0.000) 0.212 38.021 ( 0.000 -0.189 0.000) 0.189 38.076 ( 0.000 0.440 0.000) 0.440 38.079 ( 0.000 0.152 0.000) 0.152 38.094 ( 0.000 0.655 0.000) 0.655 38.098 ( 0.000 0.301 0.000) 0.301 38.241 ( 0.000 0.144 0.000) 0.144 38.244 ( 0.000 -0.164 0.000) 0.164 38.402 ( 0.000 0.476 0.000) 0.476 38.404 ( 0.000 0.348 0.000) 0.348 60.524 ( 0.000 4.042 0.000) 4.042 60.551 ( 0.000 3.239 0.000) 3.239 60.590 ( 0.000 -2.833 0.000) 2.833 60.624 ( 0.000 -3.409 0.000) 3.409 60.724 ( 0.000 -0.252 0.000) 0.252 60.735 ( 0.000 -1.316 0.000) 1.316 60.966 ( 0.000 2.930 0.000) 2.930 60.998 ( 0.000 0.543 0.000) 0.543 61.079 ( 0.000 1.112 0.000) 1.112 61.113 ( 0.000 -1.775 0.000) 1.775 61.488 ( 0.000 8.114 0.000) 8.114 61.672 ( 0.000 -10.112 0.000) 10.112 62.042 ( 0.000 1.519 0.000) 1.519 62.088 ( 0.000 -2.827 0.000) 2.827 63.087 ( 0.000 14.513 0.000) 14.513 63.344 ( 0.000 -11.188 0.000) 11.188 ======================= Grid point 19 (12/39) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 14.497 13.725 -1.085) 19.993 0.987 ( 4.544 16.567 0.595) 17.189 1.174 ( 8.722 -2.295 -2.589) 9.383 1.343 ( -1.577 -12.079 0.253) 12.184 1.513 ( 2.872 -5.312 0.750) 6.085 1.532 ( 2.105 -2.833 -2.501) 4.326 1.572 ( 2.204 9.193 -2.900) 9.888 1.603 ( 0.913 2.443 3.947) 4.730 1.707 ( 2.874 -0.432 0.213) 2.914 1.794 ( 2.773 -5.818 2.835) 7.041 1.873 ( 6.659 11.550 1.597) 13.428 1.965 ( 0.309 -1.059 5.553) 5.661 2.084 ( -2.745 1.556 -0.284) 3.168 2.109 ( -2.374 -0.767 -3.156) 4.022 2.222 ( 3.160 5.878 -0.374) 6.684 2.282 ( -2.113 1.342 -0.239) 2.515 2.329 ( -3.122 -0.378 2.295) 3.893 2.379 ( -1.577 -2.918 -1.741) 3.746 2.418 ( -5.585 -0.717 0.262) 5.637 2.423 ( -6.244 -0.624 0.676) 6.311 2.515 ( -3.992 2.074 -1.807) 4.848 2.534 ( -3.725 -0.627 -1.814) 4.190 2.586 ( 0.194 0.322 -0.378) 0.533 2.605 ( -0.739 0.081 -0.068) 0.746 2.683 ( 2.184 2.609 0.156) 3.406 2.729 ( 4.188 -2.008 0.275) 4.653 2.760 ( 4.393 1.706 0.399) 4.730 2.771 ( 4.623 1.608 0.726) 4.948 2.848 ( 2.636 2.003 0.134) 3.313 2.891 ( 3.930 -0.060 -2.570) 4.696 2.971 ( 3.864 3.541 -3.493) 6.299 3.013 ( 2.797 -1.111 -1.191) 3.237 3.125 ( 7.717 -0.404 2.066) 7.999 3.181 ( 7.888 -4.836 1.848) 9.436 3.192 ( 8.078 2.873 -1.096) 8.643 3.227 ( 9.505 -0.800 -1.995) 9.745 3.353 ( 6.654 2.468 -0.407) 7.108 3.406 ( 4.720 -1.111 -0.220) 4.854 3.430 ( 3.481 -1.883 -0.177) 3.962 3.613 ( 3.804 -12.088 0.975) 12.710 3.799 ( 0.099 3.732 3.885) 5.388 3.860 ( -0.500 -2.529 2.337) 3.480 4.190 ( -2.479 5.875 -4.491) 7.799 4.253 ( -0.477 0.034 -3.579) 3.610 4.300 ( 0.499 11.987 1.323) 12.070 4.359 ( 1.329 6.072 2.784) 6.811 4.396 ( 4.802 2.368 0.647) 5.393 4.426 ( 5.045 -1.529 0.842) 5.339 4.491 ( 1.191 -3.348 -0.606) 3.605 4.502 ( -0.833 -2.406 -4.294) 4.993 4.572 ( -0.036 6.248 -1.765) 6.493 4.619 ( -2.196 1.898 5.497) 6.216 4.652 ( 2.207 1.275 -0.121) 2.552 4.701 ( -0.570 3.971 0.266) 4.021 4.752 ( -0.383 3.238 1.237) 3.488 4.794 ( -1.254 -6.647 3.782) 7.750 4.818 ( -0.452 -3.606 -0.799) 3.721 4.879 ( -0.308 -4.132 1.158) 4.303 4.938 ( -1.344 1.568 1.326) 2.454 4.981 ( 1.034 -1.757 0.851) 2.210 5.014 ( -1.496 2.038 -0.936) 2.695 5.032 ( -0.666 -1.576 -1.840) 2.512 5.094 ( -1.020 2.918 -0.742) 3.179 5.099 ( 1.260 0.597 -0.567) 1.505 5.157 ( 0.791 0.141 0.565) 0.982 5.179 ( 0.516 -5.526 -0.170) 5.552 5.209 ( 0.845 0.723 1.671) 2.007 5.233 ( -3.004 -2.042 2.037) 4.164 5.270 ( 2.030 -0.355 -3.533) 4.090 5.285 ( 2.875 -1.706 0.164) 3.347 5.304 ( 0.314 -2.045 -1.392) 2.494 5.335 ( 0.201 -1.703 -1.643) 2.375 5.394 ( -1.086 1.956 1.052) 2.473 5.429 ( -2.280 1.568 -1.048) 2.959 5.440 ( 2.161 -2.373 0.792) 3.306 5.485 ( -1.027 -0.428 2.220) 2.484 5.537 ( -0.691 -0.208 0.331) 0.794 5.552 ( -2.820 -0.693 -1.404) 3.225 5.561 ( 0.812 2.537 -0.680) 2.749 5.584 ( 1.680 -0.901 -1.166) 2.235 5.638 ( 1.148 -1.423 1.231) 2.205 5.652 ( 1.991 -1.344 -1.244) 2.705 5.712 ( -0.963 1.593 -0.924) 2.078 5.745 ( 2.353 2.533 -2.170) 4.081 5.764 ( 2.209 0.594 -0.299) 2.307 5.777 ( -0.198 -3.333 -1.339) 3.598 5.842 ( -0.607 1.544 -1.665) 2.350 5.887 ( 1.632 -0.326 1.229) 2.068 5.907 ( -0.742 -1.401 2.092) 2.625 5.922 ( -0.796 -3.804 1.565) 4.190 5.950 ( 0.098 4.584 -1.734) 4.902 5.981 ( -0.144 0.373 0.348) 0.530 6.026 ( -1.233 0.375 -1.490) 1.970 6.040 ( -2.310 0.281 1.874) 2.988 6.047 ( -2.201 -1.666 -0.022) 2.761 6.090 ( 0.223 -1.540 -0.232) 1.573 6.162 ( -0.055 -0.085 0.686) 0.694 6.243 ( 1.263 -4.204 2.603) 5.104 6.267 ( -3.951 0.283 -0.998) 4.085 6.303 ( -1.293 -2.123 -1.727) 3.027 6.333 ( -1.594 1.925 -3.972) 4.693 6.356 ( 0.043 0.478 -2.094) 2.148 6.425 ( -0.679 -2.037 3.183) 3.840 6.446 ( 0.707 -3.140 6.550) 7.298 6.510 ( 1.202 1.504 -1.739) 2.594 6.524 ( 1.029 0.036 -1.590) 1.894 6.561 ( 1.360 1.238 -2.014) 2.727 6.596 ( 0.113 1.651 3.080) 3.497 6.601 ( -0.309 -1.245 -1.575) 2.031 6.628 ( 1.469 -1.351 4.757) 5.159 6.750 ( 0.289 1.492 -0.514) 1.604 6.783 ( 1.388 -1.871 0.624) 2.411 6.890 ( -1.942 4.374 -0.855) 4.862 6.898 ( -0.353 3.478 -0.638) 3.553 6.986 ( -1.318 3.923 -0.800) 4.215 7.011 ( -1.299 2.660 0.693) 3.041 7.057 ( -0.454 5.103 3.119) 5.998 7.115 ( 1.175 -1.049 -1.200) 1.979 7.183 ( 0.519 -3.800 1.567) 4.143 7.203 ( 1.307 -3.472 0.729) 3.781 7.355 ( -0.340 6.440 -1.487) 6.618 7.415 ( 0.095 0.416 0.013) 0.427 7.434 ( 0.464 -1.087 -1.564) 1.960 7.488 ( 0.932 0.842 -0.520) 1.360 7.528 ( -0.989 -6.175 -2.795) 6.851 7.562 ( 0.941 -3.653 1.737) 4.153 7.661 ( 1.149 -0.104 1.248) 1.700 7.768 ( -0.120 -8.819 -1.559) 8.957 8.118 ( -9.716 5.245 1.103) 11.097 8.228 ( -9.978 -4.571 0.095) 10.976 8.303 ( -5.645 5.572 -1.758) 8.124 8.418 ( -6.769 -4.959 -2.788) 8.842 8.611 ( 4.189 0.557 1.906) 4.636 8.630 ( 0.761 -1.209 3.040) 3.359 8.697 ( -3.018 6.027 -0.472) 6.757 8.804 ( -4.316 0.740 0.557) 4.414 8.860 ( -10.268 -2.423 -1.442) 10.648 8.889 ( -9.106 -3.248 -0.254) 9.671 9.643 ( -4.447 -0.051 -0.309) 4.458 9.665 ( -4.665 -1.608 0.023) 4.935 18.325 ( 5.077 0.295 0.005) 5.085 18.335 ( 5.433 -0.759 -0.133) 5.488 19.039 ( -1.696 0.069 0.027) 1.697 19.041 ( -1.702 -0.061 -0.018) 1.703 19.112 ( 0.171 0.197 0.017) 0.261 19.116 ( 0.202 0.055 0.048) 0.215 19.118 ( 0.319 -0.082 -0.031) 0.330 19.122 ( 0.404 -0.300 -0.068) 0.508 19.230 ( 0.399 -0.088 0.005) 0.409 19.231 ( 0.297 -0.168 -0.067) 0.348 19.278 ( -0.156 0.119 0.052) 0.203 19.281 ( -0.061 -0.195 -0.003) 0.204 19.289 ( 0.031 0.215 -0.028) 0.219 19.293 ( 0.219 -0.192 -0.007) 0.292 19.312 ( -0.046 0.064 0.016) 0.080 19.312 ( -0.070 0.042 0.000) 0.082 19.472 ( 0.114 0.321 0.126) 0.363 19.477 ( 0.069 -0.081 0.037) 0.112 19.483 ( 0.055 0.070 0.155) 0.179 19.491 ( -0.046 -0.638 -0.169) 0.661 19.526 ( -0.146 0.113 0.066) 0.196 19.528 ( -0.138 -0.031 -0.024) 0.144 19.529 ( -0.114 -0.004 -0.060) 0.129 19.530 ( -0.082 -0.098 -0.006) 0.128 19.649 ( -0.169 0.931 0.076) 0.949 19.657 ( -0.483 0.560 -0.132) 0.751 19.663 ( -0.183 -0.441 0.045) 0.480 19.667 ( -0.195 -0.355 -0.058) 0.409 19.714 ( 0.279 0.067 0.017) 0.288 19.715 ( 0.287 -0.030 -0.011) 0.288 19.793 ( -0.326 0.297 0.087) 0.449 19.799 ( -0.399 -0.253 -0.054) 0.476 37.922 ( 0.166 -0.214 -0.010) 0.271 37.924 ( 0.164 -0.407 0.019) 0.439 37.937 ( 0.101 0.064 -0.119) 0.168 37.942 ( 0.056 -0.287 0.051) 0.297 37.991 ( 0.211 -0.053 0.012) 0.218 37.995 ( 0.254 -0.415 0.041) 0.489 38.017 ( 0.005 0.146 -0.015) 0.147 38.021 ( -0.032 -0.174 -0.048) 0.183 38.073 ( -0.172 0.441 -0.462) 0.661 38.076 ( 0.009 0.087 -0.468) 0.476 38.099 ( 0.013 0.573 0.701) 0.906 38.101 ( -0.014 0.411 0.503) 0.649 38.247 ( 0.631 0.072 -0.010) 0.635 38.249 ( 0.511 -0.046 -0.127) 0.529 38.394 ( -0.876 0.381 0.135) 0.965 38.394 ( -0.924 0.327 0.158) 0.993 60.536 ( 1.190 3.688 0.623) 3.925 60.584 ( 2.811 3.302 0.465) 4.361 60.607 ( 1.457 -3.168 -0.148) 3.490 60.647 ( 2.860 -2.785 0.169) 3.996 60.780 ( 5.170 1.274 1.056) 5.428 60.819 ( 6.637 -2.407 1.152) 7.153 60.986 ( 2.934 3.344 -1.900) 4.837 61.037 ( 2.935 -1.621 -1.424) 3.643 61.108 ( 4.333 2.970 1.084) 5.364 61.163 ( 4.357 -2.201 0.986) 4.980 61.480 ( -1.678 7.871 1.499) 8.186 61.612 ( -2.842 -5.862 -6.747) 9.378 61.976 ( -6.877 1.734 3.648) 7.975 62.053 ( -4.518 -5.772 1.726) 7.530 62.954 ( -12.498 13.071 -0.156) 18.086 63.156 ( -14.961 -6.590 -2.929) 16.608 ======================= Grid point 20 (13/39) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 10.011 8.904 5.411) 14.449 1.234 ( 12.614 3.479 -2.674) 13.355 1.275 ( 7.521 6.845 0.213) 10.172 1.449 ( 9.035 -7.569 2.573) 12.064 1.520 ( -0.056 1.819 -3.204) 3.685 1.589 ( 0.260 -1.118 -0.521) 1.260 1.621 ( 4.725 -4.676 -0.707) 6.686 1.646 ( 3.349 -4.374 -0.526) 5.534 1.783 ( 6.298 5.360 -2.666) 8.690 1.901 ( 3.165 -3.485 3.310) 5.755 1.949 ( -1.127 3.811 4.434) 5.954 2.006 ( -0.209 -0.204 2.237) 2.256 2.033 ( 0.557 0.576 -3.769) 3.853 2.056 ( 1.085 -0.230 -3.087) 3.280 2.193 ( -7.195 0.002 2.950) 7.776 2.209 ( -6.016 -1.821 1.709) 6.514 2.291 ( -4.566 1.131 -1.102) 4.831 2.308 ( -1.829 2.036 0.485) 2.780 2.336 ( -3.330 -1.591 -2.441) 4.425 2.342 ( -2.033 -1.219 -0.221) 2.380 2.441 ( -2.686 0.589 -2.369) 3.630 2.451 ( 0.143 1.916 -1.957) 2.742 2.550 ( -4.301 1.963 1.719) 5.030 2.569 ( -3.440 0.805 2.349) 4.242 2.794 ( 7.152 2.777 -0.199) 7.675 2.827 ( 4.985 -0.300 0.175) 4.997 2.867 ( 7.464 3.527 -0.686) 8.284 2.914 ( 8.167 0.127 0.176) 8.170 2.932 ( 5.686 2.736 0.157) 6.312 2.984 ( 6.320 -0.327 -1.623) 6.533 3.048 ( 5.473 2.384 -2.150) 6.345 3.088 ( 4.737 -1.071 -0.916) 4.943 3.292 ( 6.834 1.583 2.766) 7.541 3.324 ( 4.953 3.180 0.172) 5.889 3.337 ( 6.026 0.438 0.581) 6.070 3.447 ( 8.235 -7.762 2.522) 11.595 3.464 ( 9.611 1.706 -4.635) 10.806 3.537 ( 11.362 -4.746 -5.568) 13.514 3.625 ( 12.511 2.758 2.983) 13.154 3.726 ( 6.711 -5.655 -0.035) 8.776 3.850 ( 2.470 1.869 5.005) 5.886 3.881 ( 1.531 -0.735 2.736) 3.220 4.121 ( -0.457 5.711 -3.930) 6.948 4.207 ( -0.598 -2.364 -4.382) 5.015 4.336 ( -0.808 11.765 0.257) 11.795 4.379 ( 0.683 6.449 1.258) 6.606 4.438 ( -0.403 2.022 0.369) 2.094 4.466 ( 0.894 2.118 -0.874) 2.460 4.505 ( 1.672 -1.541 -0.923) 2.454 4.580 ( 1.848 -3.310 1.970) 4.272 4.600 ( 0.599 2.141 3.047) 3.772 4.623 ( 3.420 2.957 1.131) 4.661 4.693 ( 2.900 -0.768 0.178) 3.005 4.720 ( -0.692 -1.970 -2.266) 3.081 4.753 ( 3.282 -0.020 3.694) 4.942 4.783 ( -0.886 -0.972 2.563) 2.881 4.812 ( 1.153 -6.423 -1.223) 6.639 4.841 ( -2.377 -0.640 0.600) 2.533 4.924 ( -2.477 0.720 -0.218) 2.589 4.947 ( -2.167 -2.925 0.603) 3.689 5.001 ( -1.463 0.760 1.701) 2.368 5.047 ( -0.294 1.796 -1.453) 2.329 5.050 ( -1.730 -1.289 0.384) 2.191 5.124 ( -2.539 -2.069 -1.565) 3.631 5.141 ( 2.231 0.059 0.067) 2.233 5.192 ( 0.866 -1.555 0.683) 1.906 5.219 ( 0.280 -0.030 2.116) 2.134 5.226 ( -1.136 -1.151 1.175) 1.999 5.265 ( -1.848 -1.331 -1.454) 2.702 5.291 ( -2.660 -1.592 -1.904) 3.638 5.316 ( 2.316 1.786 -1.507) 3.290 5.352 ( 1.378 -1.894 -2.850) 3.689 5.380 ( -0.822 3.068 -1.549) 3.533 5.401 ( -2.146 0.134 1.128) 2.428 5.422 ( -3.888 -1.124 0.399) 4.067 5.440 ( -0.191 -1.007 0.337) 1.079 5.504 ( -1.865 -0.110 0.895) 2.072 5.512 ( 1.390 -2.060 -4.113) 4.806 5.573 ( -2.129 0.504 3.345) 3.996 5.584 ( 0.668 4.431 -1.607) 4.760 5.654 ( -1.047 -1.419 2.015) 2.677 5.676 ( 0.418 0.782 -1.378) 1.638 5.692 ( 0.522 0.928 1.257) 1.648 5.727 ( -2.986 1.084 -1.748) 3.626 5.763 ( -1.011 0.278 -2.476) 2.689 5.795 ( -3.532 -2.278 0.149) 4.205 5.837 ( -1.403 1.555 0.013) 2.094 5.864 ( -0.034 -1.085 -1.023) 1.491 5.875 ( -4.708 -0.342 0.226) 4.726 5.906 ( 1.701 -5.083 2.112) 5.761 5.943 ( -2.455 2.272 -1.463) 3.651 5.983 ( -2.229 -1.144 -0.421) 2.541 5.999 ( 2.198 0.298 -1.730) 2.813 6.022 ( 1.249 -2.079 0.417) 2.461 6.050 ( 2.362 3.790 0.739) 4.526 6.103 ( 0.935 0.312 0.591) 1.149 6.151 ( -3.966 1.481 -2.318) 4.826 6.191 ( -0.817 2.482 2.476) 3.600 6.224 ( -2.780 -0.374 0.746) 2.903 6.249 ( -2.793 -2.659 -1.532) 4.149 6.300 ( -0.148 -3.268 0.291) 3.284 6.336 ( 0.594 -3.748 -0.773) 3.873 6.428 ( -0.716 1.500 1.181) 2.039 6.481 ( -1.038 -2.965 3.125) 4.431 6.527 ( -0.116 4.051 -2.409) 4.714 6.573 ( 1.123 0.819 -0.863) 1.636 6.591 ( 4.096 -0.340 0.590) 4.153 6.623 ( 5.350 -1.428 -1.928) 5.863 6.659 ( 2.431 1.282 2.738) 3.879 6.690 ( 0.790 -1.014 0.141) 1.293 6.748 ( 0.657 3.526 1.538) 3.903 6.804 ( 1.708 -0.094 2.354) 2.910 6.858 ( 0.326 5.642 -0.663) 5.690 6.918 ( -0.350 1.423 -0.424) 1.526 6.965 ( 2.499 4.823 0.977) 5.519 6.995 ( -0.473 3.829 0.940) 3.971 7.070 ( -1.060 4.629 1.962) 5.139 7.136 ( 0.981 -1.171 -0.222) 1.544 7.199 ( 0.546 -6.186 0.426) 6.224 7.217 ( -0.258 -6.896 -1.901) 7.157 7.324 ( -0.135 7.275 -2.209) 7.604 7.407 ( -1.356 0.882 1.145) 1.982 7.456 ( 2.635 -0.321 -2.480) 3.632 7.492 ( -0.132 0.758 -0.798) 1.109 7.502 ( -0.963 -2.259 1.832) 3.064 7.609 ( 1.699 -5.027 1.954) 5.655 7.664 ( -1.025 -2.335 -1.726) 3.079 7.734 ( -1.404 -8.273 -2.207) 8.676 7.965 ( -7.359 2.859 2.322) 8.229 8.029 ( -9.133 -1.241 -0.192) 9.218 8.119 ( -10.097 1.197 -1.053) 10.222 8.212 ( -11.056 -5.826 -1.027) 12.540 8.492 ( -11.130 5.456 1.832) 12.530 8.591 ( -11.312 -1.293 0.701) 11.407 8.630 ( -8.410 -0.562 0.496) 8.443 8.635 ( -8.240 -3.398 -0.414) 8.923 8.790 ( 5.976 2.687 -1.297) 6.679 8.841 ( 5.206 -2.023 0.816) 5.644 9.515 ( -7.796 0.607 -0.240) 7.824 9.543 ( -7.558 -1.808 0.048) 7.771 18.458 ( 7.832 0.212 0.047) 7.835 18.469 ( 7.747 -0.849 -0.143) 7.795 18.988 ( -3.491 0.062 0.012) 3.491 18.989 ( -3.449 -0.071 -0.009) 3.450 19.118 ( 0.295 0.206 -0.007) 0.360 19.122 ( 0.307 0.032 0.128) 0.335 19.125 ( 0.352 -0.068 -0.119) 0.378 19.129 ( 0.364 -0.322 -0.008) 0.486 19.237 ( 0.341 -0.102 -0.026) 0.357 19.238 ( 0.344 -0.181 -0.016) 0.389 19.276 ( -0.156 0.112 0.083) 0.209 19.278 ( -0.215 -0.105 -0.065) 0.248 19.290 ( 0.086 0.174 0.032) 0.197 19.296 ( 0.055 -0.321 -0.124) 0.349 19.311 ( -0.055 0.027 -0.005) 0.062 19.311 ( -0.036 0.008 0.022) 0.043 19.476 ( 0.185 0.271 0.144) 0.358 19.479 ( 0.135 0.073 -0.078) 0.172 19.487 ( 0.087 -0.195 0.303) 0.371 19.488 ( -0.036 -0.362 -0.254) 0.444 19.522 ( -0.251 0.114 0.076) 0.286 19.524 ( -0.227 0.034 -0.043) 0.233 19.525 ( -0.178 -0.031 -0.053) 0.188 19.527 ( -0.149 -0.155 -0.015) 0.216 19.645 ( -0.232 0.757 0.021) 0.792 19.649 ( -0.224 0.606 -0.038) 0.648 19.659 ( -0.302 -0.179 0.020) 0.351 19.663 ( -0.227 -0.344 -0.030) 0.414 19.722 ( 0.529 0.030 0.023) 0.531 19.723 ( 0.540 -0.051 -0.019) 0.543 19.785 ( -0.575 0.169 0.087) 0.606 19.788 ( -0.615 -0.142 -0.068) 0.635 37.928 ( 0.428 -0.054 -0.054) 0.435 37.929 ( 0.409 -0.282 -0.035) 0.498 37.942 ( 0.360 0.083 -0.071) 0.376 37.945 ( 0.253 -0.247 0.051) 0.358 37.996 ( 0.181 -0.022 0.073) 0.196 37.999 ( 0.112 -0.335 0.032) 0.355 38.015 ( -0.200 0.082 -0.114) 0.244 38.018 ( -0.218 -0.191 -0.117) 0.312 38.067 ( -0.068 0.497 -0.218) 0.547 38.073 ( -0.008 -0.097 -0.249) 0.267 38.097 ( -0.616 0.646 0.360) 0.963 38.100 ( -0.471 0.375 0.254) 0.654 38.263 ( 1.004 0.108 -0.101) 1.015 38.264 ( 1.054 -0.030 -0.029) 1.055 38.370 ( -1.421 0.416 0.101) 1.484 38.373 ( -1.260 0.096 0.088) 1.267 60.583 ( 2.727 3.215 1.234) 4.392 60.640 ( 2.421 1.070 -0.773) 2.758 60.659 ( 3.134 -0.323 1.575) 3.522 60.721 ( 3.641 -2.914 -0.362) 4.678 60.918 ( 7.076 2.682 1.103) 7.647 60.971 ( 6.959 -1.930 1.028) 7.295 61.062 ( 5.025 1.883 -2.388) 5.874 61.099 ( 6.288 -0.994 -0.118) 6.368 61.277 ( 9.817 0.971 1.524) 9.982 61.300 ( 9.433 -0.573 0.460) 9.462 61.425 ( -2.979 6.707 -3.555) 8.154 61.504 ( -3.307 -1.204 -3.215) 4.766 61.846 ( -7.410 0.364 0.931) 7.477 61.951 ( -7.581 -8.069 4.865) 12.093 62.643 ( -17.127 10.851 -0.540) 20.282 62.797 ( -18.400 -4.063 -1.761) 18.925 ======================= Grid point 21 (14/39) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 4.800 2.971 1.223) 5.776 1.397 ( 4.596 -2.400 4.222) 6.687 1.478 ( 4.692 5.155 -1.928) 7.232 1.547 ( 10.969 1.637 0.632) 11.109 1.577 ( 1.408 0.129 -1.025) 1.746 1.652 ( 5.908 -3.763 0.124) 7.006 1.695 ( 3.820 -2.010 0.725) 4.377 1.746 ( 6.121 -6.442 -1.173) 8.963 1.858 ( 0.358 4.680 -1.603) 4.960 1.907 ( -0.526 2.136 1.136) 2.476 1.955 ( -2.556 -1.193 1.274) 3.095 1.969 ( -2.838 -0.519 -2.042) 3.535 2.032 ( 1.218 2.778 -1.008) 3.197 2.066 ( -1.700 0.834 -1.521) 2.429 2.102 ( -1.946 0.022 1.279) 2.329 2.118 ( -5.628 -0.667 1.135) 5.780 2.224 ( -0.433 -1.551 1.128) 1.966 2.233 ( -2.639 -1.595 -0.537) 3.130 2.261 ( -0.351 3.121 1.559) 3.506 2.358 ( 2.814 -3.946 -1.873) 5.196 2.382 ( -1.232 2.677 -4.425) 5.317 2.448 ( -1.899 2.986 -1.787) 3.964 2.460 ( -3.679 -1.192 0.173) 3.871 2.513 ( -4.756 -1.271 4.668) 6.784 2.884 ( 2.943 1.800 -0.235) 3.458 2.919 ( 3.305 -1.254 0.501) 3.570 2.991 ( 4.193 4.161 -0.631) 5.941 3.043 ( 5.426 3.611 -1.025) 6.597 3.076 ( 5.683 -2.632 0.076) 6.264 3.092 ( 4.845 -0.746 -0.694) 4.951 3.144 ( 4.030 2.350 1.525) 4.908 3.167 ( 3.288 -0.428 -0.237) 3.325 3.395 ( 2.571 3.243 -0.032) 4.138 3.420 ( 2.510 1.158 2.243) 3.560 3.434 ( 3.959 3.233 0.136) 5.113 3.505 ( 0.965 -1.923 0.114) 2.155 3.715 ( 12.217 -0.716 -0.964) 12.275 3.729 ( 8.885 -1.758 -2.025) 9.281 3.851 ( 8.894 2.424 0.268) 9.222 3.897 ( 10.529 -1.807 -0.505) 10.695 3.998 ( 9.663 1.454 0.565) 9.788 4.018 ( 11.040 0.542 1.079) 11.106 4.111 ( 0.740 3.892 -1.446) 4.217 4.172 ( -0.752 -1.563 -1.813) 2.509 4.232 ( -6.266 8.982 -1.674) 11.079 4.339 ( -8.195 2.324 0.744) 8.550 4.453 ( -2.144 -1.809 0.075) 2.806 4.469 ( -0.236 0.516 1.799) 1.886 4.553 ( 1.926 -1.747 3.441) 4.313 4.604 ( 0.166 -3.321 3.151) 4.581 4.637 ( 3.777 2.848 -2.630) 5.413 4.676 ( 0.602 1.949 -1.198) 2.365 4.706 ( 0.768 -2.503 0.639) 2.695 4.723 ( 0.352 -0.698 -0.114) 0.791 4.777 ( -1.358 -0.963 1.040) 1.962 4.802 ( -3.234 -3.044 0.397) 4.459 4.865 ( 0.368 0.323 -1.334) 1.420 4.875 ( 2.668 0.291 0.600) 2.750 4.884 ( -0.343 -1.642 1.156) 2.037 4.912 ( 4.349 -1.902 1.147) 4.883 4.974 ( -0.638 2.086 -0.368) 2.212 5.017 ( 1.294 0.495 0.650) 1.530 5.047 ( -1.001 -2.410 -1.907) 3.232 5.099 ( -0.269 -1.345 1.772) 2.241 5.133 ( -3.442 -0.366 -1.611) 3.818 5.150 ( -1.719 0.808 -0.916) 2.109 5.184 ( -1.941 -3.765 -1.349) 4.446 5.191 ( -1.018 -1.423 2.360) 2.938 5.240 ( -2.337 0.591 0.310) 2.431 5.272 ( -1.720 -1.427 -0.241) 2.248 5.286 ( -0.709 2.884 0.257) 2.981 5.338 ( 1.031 -1.790 2.593) 3.316 5.366 ( 1.930 2.179 -2.195) 3.646 5.399 ( -0.413 1.050 -0.309) 1.170 5.417 ( -0.277 -1.627 -2.006) 2.598 5.453 ( 2.776 -0.630 -0.368) 2.871 5.475 ( -5.137 0.255 -1.045) 5.249 5.496 ( -0.651 1.082 -0.719) 1.452 5.541 ( -8.405 -0.303 -0.958) 8.465 5.548 ( -3.236 3.311 -0.662) 4.677 5.582 ( -2.004 2.013 -0.216) 2.849 5.623 ( -4.153 -2.438 -0.386) 4.831 5.656 ( -2.204 2.778 -0.208) 3.552 5.675 ( -3.928 0.797 1.070) 4.148 5.717 ( -2.531 -0.487 -0.638) 2.656 5.725 ( -0.356 -3.319 0.079) 3.339 5.768 ( -3.297 0.456 0.638) 3.389 5.804 ( 0.020 -1.339 -0.109) 1.344 5.871 ( -2.525 0.966 -1.330) 3.013 5.901 ( 0.144 1.006 0.164) 1.030 5.910 ( -1.050 0.154 0.580) 1.210 5.958 ( -1.218 -2.175 -0.150) 2.497 6.047 ( 2.539 -0.357 2.125) 3.330 6.064 ( 2.782 -1.278 0.181) 3.066 6.081 ( 1.651 2.773 0.553) 3.274 6.106 ( 1.796 3.180 -2.734) 4.562 6.143 ( 0.969 -2.140 3.084) 3.877 6.206 ( 2.843 -1.098 -0.692) 3.125 6.215 ( 0.151 -1.113 0.152) 1.133 6.246 ( 0.953 -0.500 2.608) 2.821 6.299 ( 0.001 1.409 0.738) 1.590 6.359 ( 1.806 -3.224 -0.903) 3.804 6.406 ( -2.441 2.186 1.450) 3.584 6.455 ( -2.470 -2.121 -0.355) 3.274 6.471 ( -3.262 6.286 -1.589) 7.258 6.554 ( -2.287 -1.566 -2.084) 3.468 6.644 ( -0.403 1.359 -2.617) 2.976 6.646 ( 2.167 1.489 -5.078) 5.718 6.707 ( 2.077 0.009 -0.747) 2.207 6.726 ( 3.400 -1.764 1.083) 3.980 6.825 ( 0.997 3.510 5.125) 6.291 6.862 ( -0.753 3.013 3.939) 5.016 6.885 ( 2.032 5.480 1.025) 5.934 6.937 ( 2.238 5.293 1.849) 6.036 6.988 ( 0.863 4.373 -0.772) 4.523 7.030 ( 1.406 5.321 1.462) 5.695 7.111 ( 2.549 -4.802 -0.226) 5.441 7.151 ( 2.613 -1.552 -1.918) 3.594 7.169 ( 0.186 0.260 -1.740) 1.769 7.233 ( 2.245 -4.763 -0.021) 5.266 7.323 ( 0.955 2.764 -2.058) 3.576 7.398 ( 0.055 2.563 1.089) 2.785 7.464 ( -0.339 -3.551 -1.303) 3.797 7.501 ( 1.679 3.022 -0.298) 3.470 7.511 ( 0.153 -1.462 3.036) 3.373 7.599 ( -4.047 -1.765 -1.995) 4.845 7.628 ( -0.527 -3.368 -0.918) 3.531 7.716 ( 0.378 -9.288 1.007) 9.350 7.785 ( -11.245 3.582 0.560) 11.815 7.900 ( -5.117 -3.829 -1.259) 6.514 7.929 ( -7.220 -1.040 0.780) 7.337 8.033 ( -5.638 -6.989 0.431) 8.990 8.312 ( -6.365 3.759 0.587) 7.415 8.405 ( -6.318 -4.074 -0.333) 7.526 8.444 ( -8.397 -0.256 1.002) 8.461 8.476 ( -7.197 -4.016 -0.571) 8.262 8.943 ( 9.144 2.262 -0.437) 9.430 8.987 ( 8.338 -1.826 0.344) 8.543 9.339 ( -9.648 1.130 -0.051) 9.714 9.371 ( -9.490 -1.660 -0.019) 9.634 18.621 ( 8.188 0.140 -0.005) 8.190 18.628 ( 8.015 -0.536 -0.007) 8.033 18.900 ( -5.387 0.091 0.012) 5.387 18.902 ( -5.293 -0.144 -0.012) 5.295 19.122 ( 0.181 0.208 -0.054) 0.281 19.127 ( 0.157 -0.244 0.031) 0.292 19.130 ( 0.266 0.236 -0.041) 0.358 19.136 ( 0.235 -0.302 0.084) 0.391 19.243 ( 0.186 -0.122 0.000) 0.222 19.243 ( 0.183 -0.188 -0.005) 0.263 19.273 ( -0.168 0.106 -0.060) 0.207 19.275 ( -0.080 -0.112 0.169) 0.218 19.291 ( -0.047 0.180 -0.164) 0.248 19.295 ( 0.014 -0.181 0.043) 0.186 19.309 ( -0.070 0.055 -0.050) 0.102 19.311 ( 0.020 -0.150 0.013) 0.152 19.480 ( 0.147 0.117 -0.042) 0.193 19.482 ( 0.168 0.021 -0.037) 0.174 19.486 ( 0.029 0.033 -0.134) 0.141 19.490 ( 0.037 -0.249 0.240) 0.348 19.518 ( -0.215 0.163 -0.020) 0.270 19.519 ( -0.164 0.027 0.058) 0.176 19.522 ( -0.165 -0.056 -0.052) 0.182 19.524 ( -0.147 -0.205 -0.008) 0.253 19.643 ( 0.027 0.595 -0.006) 0.596 19.647 ( 0.075 0.380 0.001) 0.388 19.653 ( -0.324 0.011 0.002) 0.324 19.657 ( -0.288 -0.207 -0.002) 0.355 19.734 ( 0.613 0.025 0.019) 0.614 19.735 ( 0.647 -0.069 -0.016) 0.651 19.773 ( -0.635 0.071 0.044) 0.640 19.775 ( -0.648 -0.104 -0.041) 0.657 37.939 ( 0.631 0.101 -0.012) 0.639 37.940 ( 0.550 -0.061 0.059) 0.556 37.949 ( 0.381 0.173 -0.096) 0.429 37.951 ( 0.267 -0.050 -0.021) 0.272 37.999 ( 0.036 -0.059 0.075) 0.102 38.000 ( -0.044 -0.217 0.067) 0.231 38.009 ( -0.273 -0.001 -0.109) 0.294 38.011 ( -0.319 -0.226 -0.096) 0.402 38.066 ( 0.032 0.457 0.036) 0.459 38.072 ( -0.038 -0.041 -0.021) 0.059 38.084 ( -0.704 0.448 0.011) 0.834 38.087 ( -0.729 0.158 -0.038) 0.747 38.286 ( 1.247 0.171 -0.007) 1.258 38.288 ( 1.283 -0.030 -0.055) 1.285 38.342 ( -1.412 0.401 0.066) 1.469 38.347 ( -1.409 -0.037 0.011) 1.410 60.650 ( 2.517 3.406 0.098) 4.236 60.674 ( 1.792 2.779 0.172) 3.311 60.734 ( 2.446 -2.049 1.303) 3.447 60.765 ( 1.438 -3.301 -0.216) 3.607 61.047 ( 4.694 2.926 0.683) 5.573 61.085 ( 3.503 -0.805 -0.149) 3.597 61.164 ( 6.021 5.313 -0.885) 8.079 61.235 ( 4.803 -0.857 0.370) 4.893 61.352 ( 0.501 2.509 -3.149) 4.058 61.414 ( 0.277 -0.755 -2.621) 2.742 61.487 ( 6.748 1.240 0.592) 6.887 61.542 ( 8.621 -4.406 2.012) 9.888 61.747 ( 0.894 1.664 0.047) 1.889 61.847 ( -4.214 -7.058 3.004) 8.752 62.297 ( -16.755 7.894 -0.373) 18.525 62.414 ( -18.830 -3.304 -0.792) 19.134 ======================= Grid point 22 (15/39) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 -0.755 -0.000) 0.755 1.401 ( 0.000 -1.034 0.000) 1.034 1.595 ( -0.000 1.444 0.000) 1.444 1.635 ( 0.000 -2.565 0.000) 2.565 1.651 ( -0.000 2.806 -0.000) 2.806 1.683 ( 0.000 -1.871 -0.000) 1.871 1.770 ( -0.000 -0.245 0.000) 0.245 1.786 ( 0.000 0.313 -0.000) 0.313 1.873 ( 0.000 -1.960 0.000) 1.960 1.877 ( -0.000 -2.569 0.000) 2.569 1.919 ( 0.000 4.912 0.000) 4.912 1.959 ( 0.000 1.557 0.000) 1.557 1.998 ( 0.000 2.344 0.000) 2.344 2.043 ( -0.000 -1.487 -0.000) 1.487 2.045 ( 0.000 -0.997 0.000) 0.997 2.056 ( -0.000 -3.817 0.000) 3.817 2.246 ( 0.000 1.840 0.000) 1.840 2.281 ( 0.000 4.770 0.000) 4.770 2.304 ( -0.001 8.658 0.000) 8.658 2.304 ( 0.001 -4.153 -0.000) 4.153 2.371 ( 0.000 5.051 0.000) 5.051 2.382 ( 0.000 -5.041 -0.000) 5.041 2.455 ( 0.000 -4.612 -0.000) 4.612 2.459 ( -0.000 -2.363 0.000) 2.363 2.914 ( 0.000 1.309 0.000) 1.309 2.954 ( -0.000 -1.846 0.000) 1.846 3.033 ( 0.000 4.607 0.000) 4.607 3.089 ( 0.000 3.399 0.000) 3.399 3.135 ( 0.000 -3.983 -0.000) 3.983 3.141 ( -0.000 -1.111 0.000) 1.111 3.199 ( 0.000 1.043 -0.000) 1.043 3.200 ( 0.000 1.362 0.000) 1.362 3.426 ( 0.000 1.578 0.000) 1.578 3.437 ( -0.000 1.289 0.000) 1.289 3.477 ( 0.000 3.296 -0.000) 3.296 3.512 ( 0.000 0.177 0.000) 0.177 3.819 ( 0.000 1.283 0.000) 1.283 3.854 ( 0.000 -1.897 0.000) 1.897 4.032 ( -0.000 5.817 0.000) 5.817 4.034 ( 0.001 5.762 -0.000) 5.762 4.080 ( -0.000 0.966 0.000) 0.966 4.087 ( 0.000 1.351 -0.000) 1.351 4.144 ( -0.000 3.971 0.000) 3.971 4.148 ( 0.000 3.264 0.000) 3.264 4.261 ( 0.000 -4.180 0.000) 4.180 4.271 ( -0.000 -4.472 0.000) 4.472 4.317 ( -0.000 1.550 0.000) 1.550 4.369 ( 0.000 -2.245 0.000) 2.245 4.626 ( -0.000 -0.790 -0.002) 0.790 4.627 ( 0.000 -0.846 0.002) 0.846 4.650 ( -0.000 -0.453 0.000) 0.453 4.654 ( -0.000 -1.612 0.000) 1.612 4.707 ( 0.000 -1.250 0.000) 1.250 4.725 ( 0.000 -2.702 0.000) 2.702 4.781 ( -0.000 -1.530 0.000) 1.530 4.798 ( 0.000 -2.934 -0.000) 2.934 4.847 ( 0.000 1.901 0.000) 1.901 4.909 ( -0.000 -2.755 0.000) 2.755 4.933 ( -0.000 1.907 0.000) 1.907 4.964 ( 0.000 0.305 -0.000) 0.305 4.990 ( -0.000 1.363 0.000) 1.363 5.009 ( -0.000 -1.130 0.000) 1.130 5.062 ( -0.000 -0.489 0.000) 0.489 5.078 ( 0.000 2.007 0.000) 2.007 5.104 ( 0.000 -3.515 -0.000) 3.515 5.125 ( 0.000 -1.433 -0.000) 1.433 5.179 ( -0.000 1.394 0.000) 1.394 5.185 ( -0.000 2.151 0.000) 2.151 5.236 ( 0.000 0.454 0.000) 0.454 5.251 ( 0.000 -0.554 -0.000) 0.554 5.298 ( 0.000 2.696 0.000) 2.696 5.312 ( 0.000 0.984 0.000) 0.984 5.327 ( 0.000 1.004 -0.000) 1.004 5.386 ( -0.000 -4.003 -0.001) 4.003 5.386 ( 0.000 1.329 0.001) 1.329 5.424 ( 0.000 -1.410 0.000) 1.410 5.451 ( 0.000 0.397 -0.000) 0.397 5.453 ( -0.000 1.192 0.000) 1.192 5.485 ( 0.000 2.705 0.000) 2.705 5.512 ( 0.000 -0.507 -0.000) 0.507 5.549 ( -0.000 -4.284 0.000) 4.284 5.587 ( 0.000 -4.796 -0.000) 4.796 5.629 ( -0.000 1.608 0.000) 1.608 5.635 ( 0.000 3.160 0.000) 3.160 5.670 ( 0.000 -1.561 -0.000) 1.561 5.713 ( 0.000 -5.086 0.000) 5.086 5.762 ( -0.000 4.413 0.000) 4.413 5.802 ( 0.000 3.885 0.000) 3.885 5.858 ( 0.000 -0.793 0.000) 0.793 5.899 ( 0.000 0.132 0.000) 0.132 5.914 ( -0.000 0.954 0.000) 0.954 5.915 ( 0.000 -0.671 -0.000) 0.671 6.082 ( 0.000 0.740 0.000) 0.740 6.094 ( 0.000 -0.177 0.000) 0.177 6.130 ( 0.000 0.724 -0.000) 0.724 6.149 ( 0.000 -1.817 -0.000) 1.817 6.175 ( 0.000 0.202 0.000) 0.202 6.186 ( -0.000 -1.066 -0.000) 1.066 6.261 ( 0.000 -0.342 0.000) 0.342 6.279 ( 0.000 -1.585 0.000) 1.585 6.300 ( 0.000 4.362 -0.000) 4.362 6.376 ( 0.000 -1.412 0.000) 1.412 6.385 ( 0.000 1.275 0.000) 1.275 6.404 ( 0.000 2.060 0.000) 2.060 6.425 ( 0.000 4.787 -0.000) 4.787 6.498 ( 0.000 -3.145 0.000) 3.145 6.624 ( 0.000 1.681 0.000) 1.681 6.649 ( 0.000 -0.243 0.000) 0.243 6.731 ( -0.000 2.578 0.000) 2.578 6.761 ( 0.000 0.368 -0.000) 0.368 6.844 ( -0.000 2.171 0.000) 2.171 6.854 ( 0.000 0.428 -0.000) 0.428 6.920 ( -0.000 8.181 0.000) 8.181 6.981 ( 0.000 6.098 0.000) 6.098 6.992 ( -0.000 3.757 0.000) 3.757 7.075 ( -0.000 -5.992 -0.000) 5.992 7.092 ( 0.000 0.742 0.000) 0.742 7.156 ( 0.000 -2.265 0.000) 2.265 7.231 ( -0.000 4.105 0.000) 4.105 7.260 ( 0.000 1.793 0.000) 1.793 7.338 ( 0.000 3.178 0.000) 3.178 7.439 ( -0.000 -3.145 0.000) 3.145 7.469 ( 0.000 -5.220 0.000) 5.220 7.481 ( 0.000 3.335 -0.000) 3.335 7.540 ( -0.000 0.186 0.000) 0.186 7.542 ( -0.000 -3.280 -0.000) 3.280 7.609 ( 0.000 6.247 -0.000) 6.247 7.615 ( -0.000 -0.397 0.000) 0.397 7.741 ( 0.000 -8.629 0.000) 8.629 7.803 ( 0.000 -11.460 0.000) 11.460 7.880 ( 0.000 1.479 -0.000) 1.479 7.979 ( 0.000 -6.693 0.000) 6.693 8.259 ( -0.000 2.905 0.000) 2.905 8.339 ( 0.000 -3.282 -0.000) 3.282 8.365 ( -0.000 -1.846 0.000) 1.846 8.385 ( 0.000 -5.704 0.000) 5.704 9.124 ( -0.000 0.520 0.000) 0.520 9.134 ( -0.000 -0.155 0.000) 0.155 9.163 ( 0.000 1.529 0.000) 1.529 9.200 ( 0.000 -1.805 0.000) 1.805 18.773 ( 0.000 0.136 0.000) 0.136 18.774 ( -0.000 0.033 0.000) 0.033 18.779 ( -0.000 -0.155 0.000) 0.155 18.781 ( 0.000 -0.352 0.000) 0.352 19.124 ( 0.000 0.199 0.000) 0.199 19.129 ( 0.000 -0.268 0.000) 0.268 19.133 ( 0.000 0.282 0.000) 0.282 19.139 ( 0.000 -0.287 0.000) 0.287 19.244 ( 0.000 -0.134 0.000) 0.134 19.245 ( 0.000 -0.201 0.000) 0.201 19.270 ( 0.000 0.183 0.000) 0.183 19.275 ( 0.000 -0.306 0.000) 0.306 19.289 ( 0.000 0.412 0.000) 0.412 19.296 ( 0.000 -0.288 0.000) 0.288 19.308 ( 0.000 0.127 0.000) 0.127 19.311 ( 0.000 -0.206 0.000) 0.206 19.482 ( 0.000 0.057 0.000) 0.057 19.483 ( -0.000 -0.083 0.000) 0.083 19.487 ( 0.000 0.212 0.000) 0.212 19.491 ( 0.000 -0.203 0.000) 0.203 19.515 ( 0.000 0.205 0.000) 0.205 19.519 ( -0.030 -0.131 -0.064) 0.149 19.519 ( 0.030 0.058 0.064) 0.091 19.522 ( 0.000 -0.226 0.000) 0.226 19.645 ( 0.000 0.437 0.000) 0.437 19.647 ( -0.000 0.418 0.000) 0.418 19.651 ( 0.000 -0.063 0.000) 0.063 19.652 ( -0.000 -0.051 0.000) 0.051 19.742 ( 0.000 0.054 0.000) 0.054 19.743 ( 0.000 -0.075 0.000) 0.075 19.765 ( 0.000 0.012 0.000) 0.012 19.766 ( 0.000 -0.102 0.000) 0.102 37.947 ( 0.017 0.115 -0.015) 0.117 37.947 ( -0.017 0.124 0.015) 0.126 37.953 ( 0.000 0.204 0.000) 0.204 37.953 ( 0.000 0.160 0.000) 0.160 37.999 ( 0.000 -0.147 0.000) 0.147 38.000 ( -0.000 -0.161 0.000) 0.161 38.005 ( -0.000 -0.123 0.000) 0.123 38.006 ( 0.000 -0.186 0.000) 0.186 38.067 ( 0.000 0.494 0.000) 0.494 38.073 ( 0.000 0.469 0.000) 0.469 38.074 ( -0.000 -0.158 -0.000) 0.158 38.078 ( 0.000 -0.046 0.000) 0.046 38.306 ( 0.000 0.180 0.000) 0.180 38.309 ( 0.000 -0.033 0.000) 0.033 38.321 ( -0.000 0.265 0.000) 0.265 38.324 ( 0.000 0.075 0.000) 0.075 60.666 ( 0.000 3.839 0.000) 3.839 60.715 ( 0.000 4.104 0.000) 4.104 60.743 ( 0.000 -3.599 0.000) 3.599 60.793 ( 0.000 -3.492 0.000) 3.492 61.100 ( -0.000 2.935 0.000) 2.935 61.116 ( 0.000 0.531 0.000) 0.531 61.204 ( 0.000 7.213 0.000) 7.213 61.293 ( 0.000 -1.692 0.000) 1.692 61.347 ( 0.000 3.750 0.000) 3.750 61.479 ( 0.000 -8.375 0.000) 8.375 61.491 ( -0.000 2.852 -0.000) 2.852 61.593 ( 0.000 -6.972 0.000) 6.972 61.908 ( 0.000 0.089 -0.000) 0.089 61.909 ( 0.000 0.445 0.000) 0.445 62.036 ( -0.000 5.086 0.000) 5.086 62.117 ( -0.000 -2.663 0.000) 2.663 ======================= Grid point 45 (16/39) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 4.384 0.000 22.063) 22.495 0.478 ( 5.957 0.000 22.957) 23.718 0.888 ( -4.947 0.000 -18.190) 18.851 0.910 ( -1.395 0.000 13.515) 13.587 0.956 ( -6.937 0.000 10.729) 12.777 1.546 ( -0.784 0.000 6.141) 6.191 1.570 ( 3.608 0.000 6.711) 7.620 1.717 ( 2.618 0.000 -20.606) 20.772 1.805 ( 0.112 0.000 0.507) 0.520 1.835 ( -1.614 0.000 -6.607) 6.801 1.869 ( -1.742 0.000 2.874) 3.361 1.976 ( 3.056 0.000 -12.449) 12.818 1.995 ( -1.174 0.000 3.061) 3.278 2.128 ( 0.473 0.000 4.082) 4.109 2.140 ( 3.303 0.000 -10.081) 10.608 2.185 ( -0.656 0.000 -0.217) 0.691 2.277 ( -1.997 0.000 1.067) 2.265 2.325 ( 2.662 0.000 -3.699) 4.557 2.425 ( 0.369 0.000 4.224) 4.240 2.455 ( -0.916 0.000 0.616) 1.104 2.531 ( -0.277 0.000 1.540) 1.564 2.575 ( 0.699 0.000 -2.064) 2.179 2.582 ( 0.155 0.000 1.394) 1.403 2.619 ( -0.506 0.000 -2.051) 2.112 2.622 ( 1.036 0.000 0.683) 1.241 2.649 ( -1.642 0.000 -2.561) 3.042 2.683 ( -2.974 0.000 -0.639) 3.042 2.684 ( 0.929 0.000 -0.886) 1.284 2.781 ( -0.765 0.000 0.113) 0.773 2.803 ( 0.698 0.000 -1.230) 1.414 2.900 ( 0.212 0.000 1.403) 1.419 2.922 ( -0.997 0.000 -1.179) 1.544 3.071 ( -0.845 0.000 1.575) 1.787 3.074 ( 1.583 0.000 2.439) 2.908 3.171 ( -0.298 0.000 2.494) 2.512 3.217 ( -0.209 0.000 -1.710) 1.722 3.371 ( -1.209 0.000 7.363) 7.461 3.511 ( 0.550 0.000 -5.658) 5.684 3.611 ( -0.943 0.000 7.743) 7.800 3.714 ( 3.623 0.000 2.621) 4.471 3.722 ( -2.716 0.000 0.959) 2.880 3.795 ( -0.168 0.000 -8.724) 8.726 4.003 ( -1.201 0.000 -1.155) 1.667 4.020 ( 0.127 0.000 -2.339) 2.343 4.156 ( -2.440 0.000 5.580) 6.090 4.229 ( 1.790 0.000 -1.547) 2.366 4.344 ( -2.409 0.000 1.199) 2.691 4.353 ( 2.663 0.000 1.438) 3.027 4.424 ( -1.175 0.000 1.607) 1.990 4.445 ( 5.893 0.000 -1.020) 5.980 4.462 ( -1.277 0.000 1.307) 1.827 4.545 ( -0.209 0.000 -3.928) 3.933 4.608 ( 0.859 0.000 4.593) 4.673 4.685 ( -3.124 0.000 -2.654) 4.099 4.807 ( 7.927 0.000 -0.570) 7.947 4.829 ( 3.662 0.000 1.179) 3.847 4.840 ( -4.527 0.000 -2.381) 5.115 4.853 ( 2.697 0.000 -1.520) 3.095 4.929 ( -1.883 0.000 2.375) 3.031 4.958 ( 1.910 0.000 -0.311) 1.935 5.044 ( -1.064 0.000 0.947) 1.425 5.063 ( -2.309 0.000 1.544) 2.778 5.082 ( -0.014 0.000 -0.855) 0.855 5.090 ( 1.090 0.000 -1.944) 2.229 5.174 ( -0.902 0.000 0.030) 0.903 5.187 ( 0.614 0.000 -0.960) 1.139 5.216 ( -2.892 0.000 6.589) 7.196 5.244 ( -0.809 0.000 1.859) 2.027 5.281 ( -0.237 0.000 -0.491) 0.545 5.336 ( 0.975 0.000 -2.372) 2.565 5.385 ( -4.089 0.000 0.608) 4.134 5.393 ( -1.219 0.000 1.026) 1.593 5.399 ( -0.633 0.000 0.431) 0.766 5.422 ( 2.321 0.000 1.938) 3.024 5.452 ( -1.776 0.000 0.108) 1.779 5.481 ( 0.467 0.000 -3.013) 3.049 5.535 ( 0.673 0.000 0.173) 0.695 5.549 ( 1.334 0.000 -3.037) 3.317 5.583 ( 3.224 0.000 0.857) 3.336 5.601 ( 1.695 0.000 2.923) 3.378 5.658 ( 1.652 0.000 1.503) 2.233 5.691 ( -0.152 0.000 -1.592) 1.599 5.703 ( -2.376 0.000 2.365) 3.353 5.729 ( 1.074 0.000 0.585) 1.223 5.752 ( 1.302 0.000 -0.043) 1.302 5.777 ( -1.690 0.000 1.699) 2.396 5.803 ( -0.895 0.000 -1.991) 2.183 5.832 ( 2.543 0.000 -0.019) 2.543 5.840 ( -1.292 0.000 -7.692) 7.800 5.894 ( -4.797 0.000 -6.742) 8.275 5.971 ( 1.690 0.000 2.266) 2.827 6.017 ( 0.940 0.000 -0.308) 0.989 6.088 ( 0.664 0.000 -0.655) 0.932 6.110 ( 0.087 0.000 -2.677) 2.679 6.174 ( 1.427 0.000 0.773) 1.623 6.188 ( -0.408 0.000 -1.518) 1.572 6.258 ( 0.276 0.000 0.517) 0.586 6.271 ( -0.216 0.000 -1.590) 1.604 6.281 ( -3.533 0.000 0.225) 3.540 6.310 ( -0.224 0.000 0.697) 0.732 6.319 ( 1.847 0.000 -0.780) 2.005 6.368 ( 5.561 0.000 -3.475) 6.558 6.488 ( -0.051 0.000 1.128) 1.129 6.499 ( -1.683 0.000 -0.306) 1.711 6.526 ( -0.885 0.000 4.572) 4.657 6.577 ( -0.195 0.000 6.213) 6.216 6.592 ( -2.592 0.000 0.247) 2.604 6.638 ( 0.829 0.000 2.343) 2.485 6.648 ( -1.497 0.000 -1.066) 1.837 6.699 ( -0.903 0.000 5.762) 5.832 6.700 ( 0.101 0.000 -2.591) 2.592 6.732 ( 2.597 0.000 2.430) 3.557 6.744 ( -0.585 0.000 -3.121) 3.175 6.824 ( 1.980 0.000 -1.814) 2.685 6.915 ( -0.345 0.000 1.559) 1.597 6.916 ( -1.728 0.000 -0.926) 1.961 6.929 ( -3.298 0.000 -0.551) 3.344 6.966 ( 1.949 0.000 -0.798) 2.106 7.189 ( -1.544 0.000 3.671) 3.982 7.277 ( 1.833 0.000 6.264) 6.527 7.287 ( 1.733 0.000 -5.664) 5.923 7.421 ( -1.825 0.000 -6.873) 7.112 7.501 ( -2.028 0.000 2.300) 3.067 7.547 ( 1.109 0.000 -1.074) 1.544 7.603 ( -3.180 0.000 -0.096) 3.182 7.606 ( 4.002 0.000 0.630) 4.051 7.890 ( -1.747 0.000 -1.152) 2.093 7.891 ( 3.128 0.000 -1.910) 3.665 8.179 ( -3.081 0.000 8.981) 9.495 8.304 ( -0.358 0.000 5.317) 5.329 8.376 ( -1.038 0.000 -8.968) 9.028 8.425 ( 4.380 0.000 -5.087) 6.713 8.578 ( -6.214 0.000 3.118) 6.953 8.649 ( 5.777 0.000 -4.042) 7.051 8.776 ( -0.116 0.000 0.392) 0.409 8.787 ( 0.414 0.000 -0.559) 0.696 9.023 ( 0.597 0.000 10.392) 10.409 9.203 ( -5.621 0.000 -6.828) 8.844 9.758 ( -0.007 0.000 1.253) 1.253 9.782 ( -0.063 0.000 -0.988) 0.990 18.269 ( -1.472 0.000 0.032) 1.473 18.270 ( 0.467 0.000 -0.033) 0.468 19.057 ( 0.055 0.000 0.041) 0.069 19.058 ( -0.020 0.000 -0.039) 0.044 19.105 ( 0.034 0.000 0.132) 0.137 19.108 ( -0.036 0.000 -0.126) 0.131 19.120 ( 0.163 0.000 0.078) 0.181 19.122 ( -0.504 0.000 -0.075) 0.510 19.231 ( 0.651 0.000 0.134) 0.665 19.234 ( -0.184 0.000 -0.148) 0.237 19.277 ( -0.036 0.000 0.073) 0.082 19.279 ( 0.066 0.000 -0.181) 0.192 19.287 ( -0.016 0.000 0.055) 0.058 19.287 ( 0.147 0.000 0.050) 0.155 19.309 ( 0.031 0.000 0.044) 0.054 19.310 ( -0.029 0.000 -0.039) 0.048 19.463 ( 0.006 0.000 0.204) 0.204 19.467 ( -0.000 0.000 -0.197) 0.197 19.518 ( -0.077 0.000 -0.029) 0.082 19.519 ( 0.166 0.000 -0.069) 0.180 19.527 ( -0.005 0.000 0.164) 0.164 19.529 ( 0.014 0.000 -0.075) 0.076 19.546 ( 0.103 0.000 0.034) 0.108 19.547 ( -0.050 0.000 -0.027) 0.057 19.608 ( -0.030 0.000 0.068) 0.075 19.610 ( 0.025 0.000 -0.070) 0.075 19.674 ( -0.010 0.000 0.041) 0.043 19.675 ( 0.011 0.000 -0.059) 0.060 19.709 ( 0.014 0.000 0.083) 0.084 19.711 ( -0.029 0.000 -0.065) 0.072 19.798 ( -0.009 0.000 0.235) 0.235 19.804 ( 0.008 0.000 -0.237) 0.237 37.941 ( -0.190 0.000 -0.012) 0.191 37.941 ( 0.262 0.000 -0.053) 0.268 37.945 ( -0.190 0.000 0.064) 0.201 37.945 ( 0.124 0.000 0.013) 0.125 37.996 ( -0.094 0.000 0.089) 0.129 37.998 ( 0.078 0.000 -0.119) 0.142 38.027 ( -0.369 0.000 0.010) 0.369 38.027 ( 0.379 0.000 -0.009) 0.379 38.054 ( -0.014 0.000 -0.004) 0.014 38.054 ( -0.001 0.000 -0.031) 0.031 38.075 ( 0.082 0.000 0.089) 0.121 38.076 ( -0.074 0.000 -0.053) 0.091 38.243 ( 0.055 0.000 0.099) 0.113 38.245 ( -0.047 0.000 -0.093) 0.105 38.383 ( -0.179 0.000 0.009) 0.179 38.383 ( 0.182 0.000 -0.004) 0.182 60.441 ( 0.459 0.000 4.215) 4.240 60.497 ( -1.840 0.000 0.746) 1.986 60.616 ( 1.592 0.000 -2.954) 3.356 60.652 ( 0.762 0.000 -4.860) 4.919 60.755 ( 4.085 0.000 -0.553) 4.122 60.762 ( -4.128 0.000 -1.699) 4.464 60.900 ( -5.118 0.000 3.150) 6.010 60.923 ( 4.282 0.000 1.070) 4.414 60.984 ( 0.550 0.000 3.598) 3.640 61.047 ( -0.818 0.000 -2.245) 2.389 61.714 ( 3.087 0.000 3.764) 4.868 61.819 ( 1.200 0.000 -6.002) 6.121 62.184 ( 3.045 0.000 1.614) 3.447 62.201 ( -18.994 0.000 -0.203) 18.995 62.743 ( -7.420 0.000 4.281) 8.567 62.834 ( 23.312 0.000 -3.932) 23.641 ======================= Grid point 46 (17/39) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 10.804 0.000 -7.086) 12.921 0.790 ( 9.037 0.000 -13.224) 16.017 0.856 ( 8.101 0.000 8.392) 11.664 0.885 ( 16.605 0.000 15.790) 22.914 1.416 ( 17.646 0.000 30.535) 35.267 1.542 ( -0.091 0.000 -1.463) 1.466 1.623 ( 0.423 0.000 -2.671) 2.704 1.642 ( 7.622 0.000 -22.714) 23.959 1.791 ( -1.491 0.000 1.919) 2.430 1.799 ( -0.998 0.000 -0.965) 1.389 1.898 ( 1.881 0.000 3.294) 3.793 1.995 ( 5.854 0.000 -8.652) 10.447 2.021 ( 0.150 0.000 5.008) 5.010 2.119 ( 3.201 0.000 -8.232) 8.832 2.143 ( -1.580 0.000 -1.172) 1.967 2.187 ( 1.547 0.000 0.124) 1.552 2.234 ( -2.013 0.000 -0.852) 2.186 2.319 ( -0.865 0.000 -0.330) 0.926 2.414 ( -4.560 0.000 2.998) 5.457 2.433 ( -2.246 0.000 -2.184) 3.133 2.491 ( -1.207 0.000 -0.319) 1.248 2.501 ( -5.581 0.000 0.215) 5.585 2.539 ( -5.507 0.000 1.300) 5.658 2.560 ( -4.023 0.000 -1.838) 4.423 2.629 ( 2.407 0.000 -3.446) 4.203 2.650 ( -0.291 0.000 3.125) 3.139 2.709 ( 5.123 0.000 1.137) 5.248 2.741 ( 5.243 0.000 0.103) 5.244 2.821 ( 3.486 0.000 1.535) 3.809 2.862 ( 4.711 0.000 -0.044) 4.711 2.951 ( 3.250 0.000 2.023) 3.828 2.956 ( 5.234 0.000 -2.469) 5.787 3.167 ( 7.048 0.000 0.267) 7.053 3.219 ( 2.793 0.000 1.633) 3.236 3.220 ( 5.593 0.000 -2.137) 5.987 3.240 ( 8.161 0.000 0.163) 8.162 3.460 ( 4.539 0.000 8.351) 9.504 3.539 ( 6.527 0.000 -6.311) 9.080 3.665 ( -2.333 0.000 -0.253) 2.347 3.677 ( 0.613 0.000 10.635) 10.653 3.750 ( 2.203 0.000 -8.683) 8.958 3.790 ( 2.433 0.000 -0.439) 2.472 3.991 ( 0.358 0.000 1.676) 1.714 4.025 ( 1.425 0.000 -0.065) 1.426 4.157 ( -0.005 0.000 4.539) 4.539 4.237 ( -0.133 0.000 -1.583) 1.589 4.342 ( 1.374 0.000 -1.321) 1.907 4.387 ( -0.568 0.000 -1.985) 2.065 4.451 ( 1.918 0.000 1.830) 2.651 4.492 ( 1.470 0.000 -2.979) 3.322 4.502 ( 6.579 0.000 0.918) 6.643 4.526 ( 1.601 0.000 -1.584) 2.252 4.641 ( -0.643 0.000 -2.265) 2.354 4.696 ( 2.988 0.000 5.902) 6.615 4.734 ( -2.701 0.000 -4.079) 4.892 4.815 ( -1.095 0.000 0.791) 1.350 4.855 ( 0.542 0.000 -4.798) 4.829 4.872 ( -0.477 0.000 1.993) 2.049 5.003 ( -1.217 0.000 0.963) 1.552 5.016 ( 2.600 0.000 -1.101) 2.823 5.028 ( 4.484 0.000 -2.316) 5.047 5.043 ( -1.026 0.000 -0.773) 1.284 5.109 ( -0.690 0.000 -0.048) 0.691 5.110 ( 3.490 0.000 0.287) 3.502 5.170 ( -0.092 0.000 2.788) 2.790 5.189 ( -0.066 0.000 -1.005) 1.007 5.229 ( -2.224 0.000 7.589) 7.908 5.260 ( -0.951 0.000 2.385) 2.568 5.273 ( -0.321 0.000 -0.566) 0.651 5.316 ( 0.910 0.000 -2.471) 2.634 5.346 ( 0.435 0.000 1.246) 1.319 5.393 ( -0.316 0.000 -0.614) 0.691 5.428 ( 1.446 0.000 0.396) 1.499 5.452 ( 0.302 0.000 0.947) 0.994 5.465 ( -0.024 0.000 -4.239) 4.239 5.508 ( 3.464 0.000 2.235) 4.122 5.537 ( -2.320 0.000 1.870) 2.980 5.560 ( -1.900 0.000 -5.480) 5.800 5.591 ( -1.856 0.000 -3.417) 3.888 5.594 ( -3.239 0.000 -2.314) 3.981 5.641 ( 0.574 0.000 -0.363) 0.679 5.644 ( -0.516 0.000 1.247) 1.350 5.676 ( -2.629 0.000 -1.010) 2.816 5.746 ( 0.773 0.000 -1.097) 1.342 5.786 ( -0.860 0.000 -0.873) 1.226 5.788 ( 2.500 0.000 3.347) 4.178 5.792 ( 1.127 0.000 3.492) 3.669 5.834 ( 4.686 0.000 -2.880) 5.500 5.852 ( 2.767 0.000 0.507) 2.813 5.935 ( 4.837 0.000 3.994) 6.272 5.975 ( -5.449 0.000 -0.034) 5.449 5.995 ( -1.091 0.000 -4.058) 4.202 6.070 ( -1.889 0.000 -0.979) 2.128 6.070 ( -2.346 0.000 -0.802) 2.479 6.131 ( -1.634 0.000 0.723) 1.787 6.162 ( -3.880 0.000 -0.263) 3.889 6.194 ( -5.441 0.000 0.676) 5.483 6.209 ( -1.812 0.000 -1.744) 2.515 6.258 ( -0.433 0.000 -1.047) 1.133 6.310 ( 0.382 0.000 -2.822) 2.848 6.367 ( 2.735 0.000 -2.447) 3.670 6.398 ( 1.174 0.000 -3.600) 3.787 6.502 ( -1.694 0.000 1.742) 2.430 6.505 ( 1.379 0.000 1.619) 2.127 6.533 ( -3.989 0.000 1.394) 4.225 6.568 ( 1.518 0.000 6.551) 6.725 6.597 ( -1.080 0.000 4.903) 5.021 6.612 ( -1.000 0.000 -1.395) 1.717 6.670 ( -0.198 0.000 2.237) 2.246 6.672 ( -0.363 0.000 -4.381) 4.396 6.704 ( 0.212 0.000 -3.962) 3.968 6.715 ( 0.821 0.000 2.400) 2.537 6.778 ( -0.862 0.000 1.226) 1.499 6.845 ( 3.291 0.000 -6.204) 7.023 6.866 ( -2.496 0.000 4.206) 4.891 6.868 ( -4.255 0.000 2.465) 4.917 6.908 ( -0.816 0.000 0.557) 0.988 6.988 ( 0.524 0.000 0.123) 0.538 7.207 ( 0.080 0.000 4.416) 4.417 7.280 ( 0.701 0.000 -5.874) 5.916 7.345 ( 0.843 0.000 -5.722) 5.784 7.366 ( 1.550 0.000 6.438) 6.622 7.509 ( -0.234 0.000 2.548) 2.559 7.536 ( -2.738 0.000 0.892) 2.880 7.594 ( 3.516 0.000 -2.847) 4.524 7.695 ( 4.255 0.000 -0.326) 4.268 7.815 ( -4.283 0.000 -2.165) 4.799 7.913 ( 0.366 0.000 -1.256) 1.308 8.127 ( -8.270 0.000 7.328) 11.050 8.227 ( -5.569 0.000 0.021) 5.569 8.361 ( 0.081 0.000 -4.100) 4.101 8.419 ( -11.058 0.000 5.432) 12.320 8.503 ( 6.946 0.000 -2.579) 7.409 8.675 ( -1.591 0.000 -3.334) 3.695 8.715 ( -5.660 0.000 -0.236) 5.665 8.726 ( -5.598 0.000 -0.416) 5.613 8.896 ( -14.743 0.000 2.350) 14.929 8.986 ( -8.122 0.000 6.096) 10.155 9.709 ( -6.057 0.000 -1.404) 6.218 9.720 ( -4.506 0.000 0.894) 4.594 18.334 ( 6.117 0.000 -1.307) 6.255 18.348 ( 6.132 0.000 1.595) 6.336 19.040 ( -1.704 0.000 -0.090) 1.707 19.040 ( -1.714 0.000 0.084) 1.716 19.109 ( 0.188 0.000 -0.148) 0.239 19.110 ( 0.269 0.000 0.150) 0.308 19.125 ( 0.425 0.000 -0.300) 0.520 19.132 ( 0.617 0.000 0.541) 0.821 19.234 ( 0.370 0.000 -0.126) 0.391 19.242 ( 0.439 0.000 -0.258) 0.510 19.277 ( -0.042 0.000 0.182) 0.187 19.277 ( -0.136 0.000 -0.165) 0.214 19.290 ( 0.257 0.000 0.087) 0.271 19.296 ( 0.633 0.000 -0.521) 0.820 19.308 ( -0.067 0.000 -0.056) 0.087 19.309 ( -0.039 0.000 0.037) 0.054 19.466 ( 0.153 0.000 0.217) 0.266 19.467 ( 0.168 0.000 -0.228) 0.283 19.511 ( -0.611 0.000 -0.267) 0.667 19.515 ( -0.444 0.000 0.159) 0.472 19.526 ( -0.174 0.000 0.147) 0.227 19.528 ( -0.072 0.000 -0.140) 0.157 19.538 ( -0.637 0.000 0.492) 0.805 19.539 ( -0.452 0.000 -0.289) 0.536 19.610 ( 0.163 0.000 0.054) 0.172 19.611 ( 0.222 0.000 -0.052) 0.228 19.671 ( -0.272 0.000 0.056) 0.277 19.672 ( -0.254 0.000 -0.059) 0.261 19.713 ( 0.344 0.000 -0.096) 0.358 19.713 ( 0.347 0.000 0.106) 0.363 19.795 ( -0.439 0.000 0.407) 0.598 19.797 ( -0.426 0.000 -0.367) 0.562 37.934 ( -0.298 0.000 0.022) 0.299 37.939 ( -0.250 0.000 -0.045) 0.254 37.947 ( 0.147 0.000 -0.021) 0.149 37.949 ( 0.168 0.000 0.028) 0.170 37.997 ( 0.082 0.000 0.097) 0.127 38.000 ( 0.150 0.000 -0.066) 0.164 38.024 ( 0.129 0.000 -0.173) 0.216 38.031 ( -0.140 0.000 -0.116) 0.182 38.053 ( -0.042 0.000 0.021) 0.047 38.054 ( -0.025 0.000 -0.009) 0.026 38.076 ( 0.053 0.000 -0.081) 0.097 38.078 ( 0.145 0.000 0.065) 0.159 38.248 ( 0.372 0.000 -0.060) 0.377 38.250 ( 0.579 0.000 0.085) 0.585 38.373 ( -0.725 0.000 0.065) 0.728 38.380 ( -0.501 0.000 -0.035) 0.502 60.481 ( 0.628 0.000 -1.321) 1.463 60.509 ( 2.531 0.000 4.947) 5.557 60.660 ( 3.544 0.000 -4.636) 5.835 60.671 ( 4.511 0.000 -0.309) 4.521 60.727 ( 1.741 0.000 -1.246) 2.141 60.853 ( 1.114 0.000 0.836) 1.393 60.918 ( 9.735 0.000 1.337) 9.827 61.021 ( 0.145 0.000 -2.415) 2.419 61.036 ( 2.583 0.000 2.614) 3.675 61.068 ( 8.882 0.000 1.179) 8.960 61.588 ( -10.399 0.000 12.044) 15.912 61.629 ( -11.232 0.000 -14.097) 18.025 62.061 ( -4.802 0.000 3.053) 5.690 62.302 ( 2.069 0.000 12.568) 12.737 62.503 ( -13.226 0.000 -5.961) 14.507 62.895 ( -5.142 0.000 -9.129) 10.478 ======================= Grid point 47 (18/39) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 16.899 0.000 -6.232) 18.012 1.013 ( 18.637 0.000 -5.989) 19.575 1.170 ( 10.656 0.000 13.908) 17.521 1.321 ( 15.448 0.000 11.599) 19.318 1.500 ( -0.363 0.000 -3.865) 3.882 1.589 ( 0.458 0.000 -5.697) 5.716 1.714 ( 0.351 0.000 1.364) 1.408 1.718 ( 8.914 0.000 -8.682) 12.443 1.766 ( -1.128 0.000 -1.291) 1.714 1.938 ( 4.191 0.000 7.907) 8.949 1.956 ( 1.651 0.000 2.442) 2.948 1.996 ( -0.191 0.000 0.656) 0.683 2.030 ( 1.082 0.000 -3.751) 3.904 2.114 ( 2.034 0.000 -6.517) 6.827 2.175 ( -1.571 0.000 -5.262) 5.492 2.197 ( 1.890 0.000 4.994) 5.340 2.210 ( 1.838 0.000 -3.243) 3.728 2.285 ( -4.462 0.000 1.446) 4.690 2.325 ( -5.666 0.000 1.178) 5.787 2.346 ( -3.767 0.000 -1.797) 4.173 2.417 ( -6.553 0.000 0.012) 6.553 2.427 ( -1.049 0.000 6.096) 6.186 2.513 ( 0.410 0.000 1.622) 1.673 2.525 ( 5.360 0.000 -3.309) 6.299 2.653 ( 4.277 0.000 -4.599) 6.280 2.692 ( 2.332 0.000 5.966) 6.405 2.833 ( 6.217 0.000 0.049) 6.217 2.849 ( 4.843 0.000 -1.425) 5.049 2.913 ( 3.869 0.000 1.564) 4.173 2.998 ( 7.407 0.000 4.294) 8.562 3.050 ( 4.404 0.000 3.370) 5.545 3.065 ( 6.822 0.000 -3.098) 7.493 3.271 ( 2.894 0.000 -1.126) 3.105 3.284 ( 2.991 0.000 1.204) 3.224 3.322 ( 6.505 0.000 1.448) 6.664 3.387 ( 4.909 0.000 -3.966) 6.311 3.603 ( 2.325 0.000 -4.056) 4.675 3.685 ( 11.004 0.000 4.503) 11.890 3.691 ( 8.116 0.000 -4.448) 9.255 3.762 ( 0.498 0.000 6.446) 6.465 3.783 ( 6.658 0.000 -4.985) 8.318 3.842 ( 3.793 0.000 4.527) 5.906 4.038 ( 1.354 0.000 3.206) 3.480 4.043 ( -0.419 0.000 0.108) 0.433 4.235 ( 0.150 0.000 1.493) 1.500 4.259 ( 6.295 0.000 2.693) 6.847 4.324 ( 1.018 0.000 -4.178) 4.300 4.368 ( 2.050 0.000 -2.616) 3.323 4.495 ( 3.100 0.000 -1.423) 3.411 4.540 ( 4.960 0.000 -0.477) 4.982 4.571 ( 0.852 0.000 0.919) 1.254 4.632 ( 1.950 0.000 0.416) 1.994 4.655 ( 6.701 0.000 -0.356) 6.710 4.671 ( -0.095 0.000 -3.867) 3.868 4.778 ( 1.389 0.000 -3.169) 3.460 4.801 ( -0.045 0.000 0.534) 0.536 4.864 ( 2.435 0.000 0.583) 2.504 4.901 ( 1.656 0.000 1.770) 2.424 4.971 ( -1.293 0.000 -0.256) 1.318 5.009 ( -0.082 0.000 0.192) 0.208 5.058 ( 0.550 0.000 -0.156) 0.572 5.073 ( -1.660 0.000 -1.429) 2.190 5.083 ( 0.900 0.000 -3.878) 3.981 5.141 ( -1.016 0.000 -0.344) 1.072 5.143 ( -4.592 0.000 3.402) 5.715 5.201 ( 0.559 0.000 3.204) 3.252 5.219 ( -0.691 0.000 2.769) 2.854 5.255 ( -0.064 0.000 -1.311) 1.312 5.304 ( -1.389 0.000 4.238) 4.460 5.333 ( 0.757 0.000 -1.292) 1.498 5.357 ( -1.407 0.000 -1.062) 1.763 5.367 ( -1.659 0.000 -0.827) 1.854 5.388 ( 0.044 0.000 -0.899) 0.900 5.425 ( -2.673 0.000 -0.734) 2.772 5.432 ( -3.840 0.000 -2.545) 4.607 5.471 ( 1.020 0.000 1.961) 2.211 5.486 ( -2.385 0.000 -1.810) 2.994 5.519 ( -3.570 0.000 2.857) 4.573 5.526 ( -1.802 0.000 -4.327) 4.687 5.556 ( -1.687 0.000 3.298) 3.704 5.618 ( -1.284 0.000 -2.598) 2.898 5.651 ( -2.936 0.000 3.504) 4.572 5.677 ( -0.564 0.000 -2.743) 2.801 5.732 ( -2.904 0.000 -0.706) 2.989 5.743 ( -2.401 0.000 1.435) 2.797 5.772 ( -1.420 0.000 0.265) 1.445 5.839 ( -3.683 0.000 -2.151) 4.265 5.850 ( -5.300 0.000 1.905) 5.632 5.868 ( 0.224 0.000 -1.094) 1.117 5.868 ( -0.364 0.000 3.874) 3.891 5.977 ( -2.269 0.000 1.733) 2.855 6.027 ( 3.381 0.000 0.409) 3.406 6.033 ( -2.183 0.000 -1.090) 2.440 6.046 ( 3.156 0.000 2.566) 4.068 6.079 ( -4.267 0.000 -1.732) 4.605 6.086 ( -3.195 0.000 3.244) 4.554 6.172 ( -1.162 0.000 -6.407) 6.512 6.210 ( 4.080 0.000 5.086) 6.520 6.219 ( 0.544 0.000 -0.281) 0.612 6.250 ( -4.676 0.000 -2.256) 5.192 6.352 ( -0.393 0.000 -3.406) 3.428 6.390 ( -3.083 0.000 -0.285) 3.097 6.440 ( -5.329 0.000 -1.193) 5.461 6.478 ( -0.672 0.000 -0.812) 1.054 6.517 ( -0.801 0.000 1.010) 1.289 6.563 ( -4.522 0.000 5.833) 7.381 6.594 ( -1.637 0.000 -0.606) 1.746 6.661 ( 1.323 0.000 -1.771) 2.211 6.669 ( 2.010 0.000 1.970) 2.814 6.692 ( 0.792 0.000 2.270) 2.404 6.693 ( 3.300 0.000 -4.254) 5.384 6.727 ( 0.994 0.000 1.053) 1.448 6.801 ( -1.831 0.000 -1.566) 2.409 6.838 ( 5.712 0.000 4.190) 7.084 6.860 ( -2.134 0.000 2.715) 3.453 6.873 ( 3.172 0.000 -3.348) 4.612 6.925 ( 4.295 0.000 -3.200) 5.356 6.976 ( -2.018 0.000 1.152) 2.324 7.247 ( -0.233 0.000 6.135) 6.140 7.252 ( 0.576 0.000 -3.144) 3.196 7.337 ( 0.846 0.000 -4.807) 4.881 7.416 ( 0.060 0.000 2.067) 2.068 7.482 ( -3.158 0.000 0.485) 3.195 7.509 ( -1.798 0.000 2.613) 3.172 7.624 ( -0.244 0.000 -0.419) 0.485 7.700 ( -4.636 0.000 -3.655) 5.904 7.747 ( 0.958 0.000 -0.629) 1.146 7.897 ( -0.812 0.000 -2.212) 2.356 7.987 ( -9.290 0.000 5.645) 10.871 8.125 ( -3.709 0.000 -0.821) 3.799 8.265 ( -7.795 0.000 4.945) 9.231 8.277 ( -4.830 0.000 -4.875) 6.863 8.531 ( -6.569 0.000 0.012) 6.569 8.561 ( -9.427 0.000 1.945) 9.626 8.606 ( -5.362 0.000 -3.017) 6.152 8.660 ( 5.671 0.000 -2.624) 6.249 8.708 ( -2.805 0.000 1.291) 3.088 8.930 ( 0.962 0.000 0.270) 1.000 9.552 ( -8.443 0.000 -0.711) 8.472 9.589 ( -8.924 0.000 0.335) 8.931 18.466 ( 7.839 0.000 -0.951) 7.896 18.498 ( 7.119 0.000 1.565) 7.289 18.988 ( -3.408 0.000 -0.094) 3.409 18.989 ( -3.465 0.000 0.079) 3.466 19.113 ( 0.295 0.000 -0.089) 0.308 19.117 ( 0.343 0.000 0.086) 0.354 19.130 ( 0.289 0.000 -0.187) 0.344 19.144 ( 0.184 0.000 0.412) 0.451 19.244 ( 0.407 0.000 0.186) 0.448 19.248 ( 0.396 0.000 -0.140) 0.420 19.273 ( -0.216 0.000 -0.115) 0.244 19.276 ( -0.154 0.000 0.166) 0.227 19.297 ( -0.192 0.000 -0.301) 0.357 19.298 ( 0.276 0.000 0.541) 0.607 19.308 ( -0.087 0.000 0.015) 0.088 19.310 ( 0.317 0.000 -0.205) 0.377 19.471 ( 0.332 0.000 -0.217) 0.397 19.471 ( 0.236 0.000 0.176) 0.294 19.493 ( -0.533 0.000 -0.655) 0.844 19.507 ( -0.475 0.000 0.282) 0.552 19.522 ( -0.325 0.000 0.131) 0.350 19.524 ( -0.172 0.000 -0.253) 0.306 19.531 ( -0.184 0.000 -0.190) 0.265 19.531 ( -0.339 0.000 0.335) 0.477 19.616 ( 0.383 0.000 0.049) 0.386 19.617 ( 0.404 0.000 -0.055) 0.408 19.664 ( -0.488 0.000 -0.058) 0.492 19.664 ( -0.465 0.000 0.066) 0.470 19.722 ( 0.605 0.000 -0.092) 0.612 19.724 ( 0.555 0.000 0.104) 0.565 19.784 ( -0.497 0.000 -0.373) 0.621 19.787 ( -0.578 0.000 0.321) 0.661 37.932 ( 0.036 0.000 0.067) 0.076 37.934 ( -0.118 0.000 -0.199) 0.231 37.948 ( 0.004 0.000 -0.056) 0.056 37.951 ( -0.008 0.000 0.042) 0.042 38.000 ( 0.136 0.000 0.094) 0.165 38.003 ( 0.149 0.000 -0.044) 0.155 38.023 ( -0.370 0.000 -0.227) 0.434 38.025 ( 0.011 0.000 -0.137) 0.138 38.052 ( -0.077 0.000 0.048) 0.091 38.052 ( -0.054 0.000 -0.041) 0.068 38.077 ( 0.026 0.000 -0.009) 0.027 38.079 ( -0.047 0.000 -0.044) 0.064 38.260 ( 0.900 0.000 0.104) 0.906 38.266 ( 0.870 0.000 -0.058) 0.872 38.357 ( -1.011 0.000 0.283) 1.050 38.363 ( -1.117 0.000 -0.249) 1.145 60.502 ( 2.357 0.000 -1.419) 2.751 60.582 ( 1.568 0.000 1.646) 2.273 60.732 ( 6.001 0.000 -1.471) 6.179 60.756 ( 3.094 0.000 1.724) 3.542 60.803 ( 5.743 0.000 -1.427) 5.918 60.899 ( 3.140 0.000 0.711) 3.219 61.021 ( 1.527 0.000 -1.833) 2.385 61.128 ( 5.513 0.000 1.328) 5.670 61.199 ( 16.283 0.000 1.644) 16.366 61.279 ( 11.858 0.000 -2.442) 12.107 61.344 ( -4.492 0.000 -10.880) 11.771 61.530 ( -5.248 0.000 10.718) 11.934 61.958 ( -6.609 0.000 0.641) 6.640 62.206 ( -11.080 0.000 -7.729) 13.509 62.365 ( -6.750 0.000 14.186) 15.710 62.640 ( -12.846 0.000 -8.029) 15.148 ======================= Grid point 48 (19/39) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 15.389 0.000 1.772) 15.491 1.338 ( 14.141 0.000 -5.279) 15.094 1.457 ( 8.601 0.000 8.088) 11.806 1.501 ( 6.929 0.000 0.442) 6.943 1.565 ( 1.561 0.000 -3.665) 3.984 1.677 ( 10.111 0.000 5.180) 11.361 1.711 ( -0.700 0.000 0.228) 0.736 1.723 ( -0.194 0.000 -2.562) 2.570 1.816 ( 3.025 0.000 -0.278) 3.038 1.920 ( -1.261 0.000 -0.265) 1.289 1.940 ( -4.132 0.000 -0.314) 4.144 1.960 ( -6.339 0.000 1.333) 6.478 2.029 ( -1.811 0.000 0.786) 1.974 2.076 ( -2.981 0.000 -4.307) 5.238 2.136 ( -0.190 0.000 -3.670) 3.675 2.147 ( -6.040 0.000 0.032) 6.040 2.157 ( -4.050 0.000 -1.630) 4.365 2.201 ( -2.026 0.000 1.588) 2.574 2.251 ( -1.312 0.000 -0.944) 1.616 2.294 ( -2.042 0.000 -2.121) 2.944 2.327 ( 1.002 0.000 -4.668) 4.774 2.502 ( -2.711 0.000 -2.921) 3.985 2.547 ( 4.621 0.000 8.706) 9.857 2.617 ( 3.803 0.000 1.291) 4.016 2.794 ( 7.615 0.000 3.514) 8.387 2.821 ( 5.909 0.000 1.925) 6.214 2.911 ( 2.883 0.000 -1.466) 3.234 2.945 ( 5.157 0.000 -1.090) 5.271 2.983 ( 1.854 0.000 1.312) 2.271 3.118 ( 2.737 0.000 -4.630) 5.378 3.165 ( 3.762 0.000 4.756) 6.064 3.192 ( 5.470 0.000 3.398) 6.439 3.296 ( 1.166 0.000 -2.486) 2.746 3.328 ( 0.177 0.000 -0.360) 0.401 3.419 ( 1.975 0.000 -2.501) 3.187 3.429 ( 1.679 0.000 2.016) 2.623 3.692 ( 9.600 0.000 -0.159) 9.602 3.769 ( 2.552 0.000 -2.149) 3.336 3.852 ( 8.909 0.000 -2.808) 9.342 3.895 ( 3.763 0.000 -1.878) 4.206 3.896 ( 3.497 0.000 5.261) 6.317 3.996 ( 2.468 0.000 5.394) 5.932 4.054 ( 6.552 0.000 -2.236) 6.923 4.090 ( 3.695 0.000 1.148) 3.869 4.204 ( -2.565 0.000 4.758) 5.406 4.236 ( -1.794 0.000 -3.410) 3.853 4.508 ( 3.393 0.000 2.628) 4.292 4.523 ( 10.515 0.000 -2.589) 10.829 4.553 ( 2.595 0.000 -0.118) 2.598 4.565 ( 3.614 0.000 0.098) 3.615 4.632 ( 0.581 0.000 -4.291) 4.330 4.657 ( 7.187 0.000 0.684) 7.220 4.707 ( -0.232 0.000 -0.795) 0.828 4.710 ( 2.449 0.000 3.749) 4.477 4.798 ( 5.154 0.000 -3.747) 6.372 4.829 ( 2.424 0.000 -0.517) 2.478 4.874 ( -0.082 0.000 -3.388) 3.389 4.937 ( -0.193 0.000 -1.398) 1.412 4.943 ( -0.189 0.000 -0.956) 0.975 4.992 ( -1.789 0.000 -0.310) 1.816 5.030 ( 1.432 0.000 -1.156) 1.840 5.047 ( -3.116 0.000 -2.167) 3.796 5.057 ( -4.016 0.000 0.025) 4.016 5.063 ( -4.166 0.000 -0.518) 4.198 5.145 ( -6.182 0.000 0.163) 6.185 5.170 ( 4.384 0.000 2.452) 5.023 5.199 ( -2.104 0.000 3.650) 4.213 5.205 ( -3.061 0.000 2.903) 4.219 5.265 ( -3.742 0.000 -0.955) 3.862 5.277 ( -5.778 0.000 0.235) 5.783 5.300 ( -4.610 0.000 -0.890) 4.695 5.351 ( -0.686 0.000 -0.879) 1.115 5.378 ( -2.632 0.000 -0.989) 2.812 5.387 ( -2.530 0.000 1.711) 3.054 5.409 ( 2.091 0.000 2.425) 3.202 5.448 ( 2.201 0.000 -1.573) 2.705 5.462 ( -0.566 0.000 -0.612) 0.833 5.509 ( -8.508 0.000 -0.361) 8.515 5.523 ( -3.324 0.000 0.592) 3.376 5.537 ( 0.614 0.000 0.453) 0.763 5.539 ( -0.594 0.000 -2.475) 2.545 5.555 ( -1.216 0.000 -0.818) 1.466 5.622 ( -0.238 0.000 3.494) 3.503 5.688 ( -0.864 0.000 0.979) 1.306 5.709 ( -1.598 0.000 0.026) 1.598 5.746 ( -2.377 0.000 1.115) 2.625 5.776 ( -2.963 0.000 1.260) 3.220 5.778 ( 0.246 0.000 -0.289) 0.379 5.873 ( -3.252 0.000 5.929) 6.762 5.889 ( -0.959 0.000 0.539) 1.101 5.914 ( 0.143 0.000 -4.555) 4.557 5.990 ( -4.484 0.000 3.754) 5.848 6.010 ( 0.640 0.000 -2.227) 2.317 6.079 ( 1.487 0.000 -0.230) 1.504 6.088 ( -5.919 0.000 0.097) 5.920 6.114 ( 3.589 0.000 -0.487) 3.622 6.127 ( -0.017 0.000 -1.567) 1.567 6.134 ( 2.627 0.000 -0.802) 2.747 6.188 ( -2.050 0.000 -3.192) 3.794 6.291 ( 0.109 0.000 -1.189) 1.194 6.304 ( -4.187 0.000 2.519) 4.887 6.333 ( -3.665 0.000 0.857) 3.764 6.356 ( -1.185 0.000 1.549) 1.951 6.448 ( 1.077 0.000 -4.853) 4.971 6.504 ( -4.803 0.000 -2.683) 5.501 6.527 ( -3.838 0.000 6.178) 7.273 6.535 ( 1.181 0.000 3.320) 3.524 6.651 ( -2.054 0.000 0.374) 2.087 6.671 ( 1.248 0.000 1.168) 1.709 6.737 ( 0.297 0.000 1.695) 1.721 6.763 ( -0.440 0.000 -3.449) 3.477 6.790 ( 6.075 0.000 -2.076) 6.420 6.795 ( -0.449 0.000 -2.598) 2.637 6.838 ( 4.346 0.000 1.429) 4.575 6.913 ( -1.501 0.000 0.294) 1.530 6.940 ( 6.002 0.000 -5.278) 7.992 7.019 ( 4.152 0.000 5.053) 6.540 7.028 ( 7.631 0.000 -1.106) 7.711 7.240 ( -0.053 0.000 -2.179) 2.179 7.273 ( -2.067 0.000 4.571) 5.017 7.306 ( -0.841 0.000 -1.562) 1.774 7.361 ( -5.650 0.000 -0.330) 5.659 7.456 ( 0.710 0.000 -0.989) 1.217 7.477 ( -3.648 0.000 3.222) 4.867 7.580 ( -4.357 0.000 3.037) 5.311 7.594 ( -1.506 0.000 -5.866) 6.056 7.744 ( -1.049 0.000 2.198) 2.436 7.807 ( -5.895 0.000 1.606) 6.110 7.918 ( -1.234 0.000 0.916) 1.537 8.072 ( -2.154 0.000 -2.117) 3.020 8.143 ( -3.150 0.000 -3.133) 4.442 8.179 ( -4.020 0.000 2.678) 4.831 8.396 ( -6.546 0.000 -0.191) 6.549 8.434 ( -5.018 0.000 -0.578) 5.052 8.507 ( -1.283 0.000 -0.629) 1.429 8.594 ( -2.990 0.000 -0.682) 3.066 8.891 ( 11.380 0.000 0.932) 11.418 9.007 ( 6.355 0.000 -0.729) 6.397 9.368 ( -9.388 0.000 -0.539) 9.403 9.384 ( -11.465 0.000 0.393) 11.472 18.623 ( 8.114 0.000 -0.352) 8.122 18.648 ( 7.171 0.000 0.496) 7.188 18.901 ( -5.256 0.000 -0.140) 5.258 18.903 ( -5.242 0.000 0.133) 5.244 19.118 ( 0.251 0.000 0.020) 0.252 19.123 ( 0.218 0.000 -0.024) 0.220 19.134 ( 0.197 0.000 0.035) 0.200 19.146 ( -0.041 0.000 -0.004) 0.041 19.250 ( 0.169 0.000 0.145) 0.223 19.256 ( 0.379 0.000 -0.123) 0.398 19.268 ( -0.126 0.000 -0.023) 0.128 19.273 ( -0.195 0.000 0.001) 0.195 19.289 ( -0.298 0.000 -0.056) 0.304 19.300 ( -0.198 0.000 -0.178) 0.267 19.310 ( 0.017 0.000 0.638) 0.638 19.315 ( 0.239 0.000 -0.127) 0.271 19.476 ( 0.365 0.000 -0.211) 0.422 19.477 ( 0.188 0.000 0.098) 0.212 19.485 ( 0.037 0.000 -0.215) 0.218 19.500 ( -0.406 0.000 0.148) 0.432 19.516 ( -0.368 0.000 0.119) 0.387 19.518 ( -0.136 0.000 -0.358) 0.383 19.528 ( -0.073 0.000 -0.021) 0.076 19.528 ( -0.180 0.000 0.196) 0.266 19.625 ( 0.548 0.000 0.061) 0.551 19.626 ( 0.508 0.000 -0.058) 0.512 19.653 ( -0.598 0.000 -0.033) 0.599 19.654 ( -0.558 0.000 0.041) 0.559 19.735 ( 0.672 0.000 -0.095) 0.679 19.736 ( 0.542 0.000 0.097) 0.551 19.773 ( -0.398 0.000 -0.214) 0.452 19.777 ( -0.672 0.000 0.191) 0.698 37.934 ( 0.291 0.000 -0.092) 0.305 37.936 ( 0.281 0.000 0.029) 0.282 37.946 ( -0.127 0.000 -0.031) 0.131 37.949 ( -0.191 0.000 0.019) 0.192 38.003 ( 0.177 0.000 0.039) 0.182 38.006 ( 0.199 0.000 -0.058) 0.207 38.016 ( -0.282 0.000 0.038) 0.285 38.021 ( -0.284 0.000 -0.105) 0.303 38.051 ( -0.067 0.000 0.055) 0.087 38.051 ( -0.007 0.000 -0.051) 0.051 38.076 ( -0.070 0.000 0.025) 0.075 38.077 ( -0.155 0.000 -0.047) 0.162 38.283 ( 0.996 0.000 -0.211) 1.018 38.284 ( 1.303 0.000 0.227) 1.322 38.335 ( -1.388 0.000 -0.336) 1.428 38.338 ( -1.170 0.000 0.344) 1.220 60.543 ( 2.253 0.000 -0.624) 2.338 60.601 ( 0.424 0.000 -0.816) 0.920 60.814 ( 1.652 0.000 0.721) 1.802 60.838 ( 4.455 0.000 -1.570) 4.724 60.893 ( 3.462 0.000 0.024) 3.462 60.963 ( 1.635 0.000 0.913) 1.873 61.067 ( 4.024 0.000 1.004) 4.147 61.269 ( 5.525 0.000 -1.220) 5.658 61.271 ( 4.218 0.000 -3.488) 5.473 61.481 ( -2.951 0.000 4.507) 5.387 61.521 ( 12.626 0.000 -1.033) 12.668 61.575 ( 15.632 0.000 3.021) 15.922 61.839 ( -4.738 0.000 0.393) 4.754 61.960 ( -8.180 0.000 -4.980) 9.576 62.244 ( -13.612 0.000 9.445) 16.568 62.299 ( -14.832 0.000 -7.126) 16.455 ======================= Grid point 49 (20/39) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -6.459 0.000 0.132) 6.461 1.459 ( 4.334 0.000 -1.932) 4.745 1.538 ( 2.790 0.000 4.797) 5.549 1.643 ( -5.915 0.000 -4.991) 7.740 1.674 ( 1.984 0.000 1.864) 2.722 1.708 ( -0.355 0.000 -1.046) 1.104 1.775 ( 7.924 0.000 1.996) 8.172 1.785 ( 7.434 0.000 2.310) 7.785 1.799 ( -6.044 0.000 0.055) 6.044 1.832 ( -7.928 0.000 0.153) 7.929 1.899 ( 0.175 0.000 0.673) 0.696 1.908 ( -2.309 0.000 4.903) 5.419 1.986 ( 2.310 0.000 -4.190) 4.785 1.998 ( 2.289 0.000 2.686) 3.529 2.050 ( 0.469 0.000 -5.080) 5.101 2.073 ( -2.302 0.000 -1.843) 2.949 2.188 ( 2.726 0.000 -0.388) 2.753 2.200 ( 0.088 0.000 -1.635) 1.637 2.222 ( -0.540 0.000 1.043) 1.175 2.243 ( 0.005 0.000 -0.997) 0.997 2.376 ( -6.729 0.000 -3.686) 7.673 2.381 ( 6.007 0.000 -3.821) 7.120 2.658 ( -0.419 0.000 4.750) 4.768 2.668 ( -1.463 0.000 5.185) 5.387 2.893 ( 0.933 0.000 1.954) 2.165 2.901 ( 1.357 0.000 -1.432) 1.973 2.977 ( 2.723 0.000 1.761) 3.243 2.993 ( -1.759 0.000 0.348) 1.793 3.013 ( 2.097 0.000 0.115) 2.101 3.080 ( -1.936 0.000 -5.926) 6.234 3.238 ( -0.832 0.000 4.513) 4.589 3.264 ( 0.222 0.000 0.309) 0.380 3.294 ( 0.337 0.000 -1.651) 1.685 3.296 ( -1.378 0.000 -2.011) 2.438 3.435 ( -1.312 0.000 0.955) 1.622 3.443 ( 1.393 0.000 -0.402) 1.450 3.811 ( -5.605 0.000 -0.005) 5.605 3.818 ( 2.207 0.000 -0.246) 2.221 3.899 ( 7.036 0.000 2.234) 7.382 3.907 ( -6.024 0.000 1.259) 6.154 4.001 ( -3.395 0.000 3.438) 4.832 4.050 ( 10.391 0.000 -1.736) 10.535 4.072 ( -1.370 0.000 0.876) 1.626 4.128 ( -1.027 0.000 -3.225) 3.385 4.329 ( 9.499 0.000 1.385) 9.599 4.344 ( -11.558 0.000 -0.537) 11.570 4.353 ( -10.427 0.000 -0.195) 10.429 4.376 ( 9.549 0.000 -1.626) 9.687 4.619 ( 0.938 0.000 1.895) 2.114 4.648 ( 0.306 0.000 -1.211) 1.249 4.721 ( -2.380 0.000 2.464) 3.425 4.726 ( -0.029 0.000 2.733) 2.733 4.803 ( 2.289 0.000 -3.773) 4.413 4.810 ( 1.474 0.000 -2.352) 2.776 4.855 ( -8.101 0.000 0.155) 8.102 4.874 ( 4.679 0.000 -0.651) 4.724 4.898 ( -4.795 0.000 -2.551) 5.432 4.901 ( 1.152 0.000 -3.487) 3.672 4.933 ( 2.876 0.000 1.456) 3.224 4.944 ( 5.577 0.000 -0.567) 5.606 4.964 ( -0.874 0.000 -0.658) 1.094 4.998 ( -2.133 0.000 -2.379) 3.196 5.036 ( -0.129 0.000 1.853) 1.858 5.038 ( 6.831 0.000 1.058) 6.913 5.101 ( -0.096 0.000 -1.066) 1.071 5.112 ( -5.191 0.000 -3.162) 6.078 5.150 ( -0.720 0.000 3.648) 3.718 5.177 ( -0.793 0.000 -0.132) 0.804 5.179 ( -1.598 0.000 2.144) 2.674 5.233 ( -0.557 0.000 -0.995) 1.140 5.311 ( 3.595 0.000 2.473) 4.363 5.328 ( -0.882 0.000 3.587) 3.694 5.336 ( -1.247 0.000 0.128) 1.253 5.373 ( -3.953 0.000 0.521) 3.987 5.388 ( 3.046 0.000 -2.315) 3.826 5.408 ( 0.145 0.000 -2.183) 2.188 5.484 ( -2.733 0.000 -1.256) 3.007 5.485 ( 1.464 0.000 1.303) 1.960 5.491 ( 0.572 0.000 0.740) 0.935 5.507 ( 1.190 0.000 -0.851) 1.463 5.513 ( 0.338 0.000 -0.413) 0.534 5.546 ( 0.826 0.000 -1.782) 1.964 5.654 ( -4.630 0.000 3.488) 5.797 5.712 ( 3.503 0.000 1.337) 3.750 5.718 ( 2.327 0.000 -0.829) 2.470 5.741 ( -2.136 0.000 -1.315) 2.508 5.750 ( 1.136 0.000 3.478) 3.659 5.798 ( 2.691 0.000 -1.253) 2.968 5.831 ( -5.723 0.000 5.353) 7.836 5.853 ( 1.845 0.000 0.778) 2.003 5.890 ( -2.067 0.000 0.217) 2.079 5.976 ( 2.901 0.000 1.464) 3.249 6.013 ( 1.415 0.000 -6.566) 6.717 6.046 ( -2.997 0.000 -3.144) 4.343 6.053 ( 1.692 0.000 1.825) 2.488 6.125 ( -0.253 0.000 -3.882) 3.890 6.146 ( -0.499 0.000 -0.829) 0.968 6.151 ( 0.291 0.000 -0.599) 0.666 6.195 ( 2.833 0.000 4.661) 5.454 6.279 ( -1.927 0.000 -2.840) 3.432 6.290 ( -2.139 0.000 2.218) 3.082 6.320 ( 2.329 0.000 0.002) 2.329 6.337 ( 4.018 0.000 5.395) 6.727 6.426 ( -7.682 0.000 0.552) 7.702 6.445 ( 1.034 0.000 -0.605) 1.198 6.462 ( 2.941 0.000 -5.852) 6.550 6.591 ( 0.806 0.000 4.011) 4.092 6.635 ( -0.573 0.000 0.157) 0.594 6.691 ( 0.073 0.000 0.321) 0.329 6.730 ( -1.386 0.000 1.433) 1.994 6.737 ( -2.507 0.000 -2.671) 3.663 6.755 ( 1.461 0.000 -0.008) 1.461 6.849 ( -4.276 0.000 3.546) 5.556 6.888 ( 4.412 0.000 -0.620) 4.455 6.929 ( -0.850 0.000 -2.687) 2.818 6.982 ( 0.947 0.000 -6.611) 6.678 7.108 ( 1.238 0.000 4.810) 4.967 7.143 ( -3.886 0.000 2.793) 4.786 7.211 ( -0.527 0.000 -2.486) 2.541 7.219 ( 4.820 0.000 -4.289) 6.452 7.278 ( -3.576 0.000 2.320) 4.263 7.309 ( 2.472 0.000 0.237) 2.483 7.433 ( -1.684 0.000 1.987) 2.605 7.479 ( 2.956 0.000 -1.964) 3.550 7.518 ( -4.083 0.000 3.269) 5.230 7.585 ( 3.624 0.000 -3.539) 5.065 7.756 ( 0.070 0.000 3.837) 3.837 7.761 ( -0.944 0.000 4.254) 4.357 7.914 ( 0.751 0.000 0.191) 0.775 7.987 ( -1.242 0.000 -5.586) 5.722 8.136 ( -1.722 0.000 0.829) 1.911 8.144 ( 2.511 0.000 0.184) 2.518 8.321 ( -0.519 0.000 0.131) 0.535 8.352 ( -0.881 0.000 -2.539) 2.687 8.520 ( 1.386 0.000 1.694) 2.188 8.554 ( -0.476 0.000 -1.397) 1.476 9.111 ( -2.930 0.000 0.267) 2.942 9.117 ( 5.207 0.000 -0.302) 5.215 9.172 ( -4.715 0.000 2.216) 5.210 9.220 ( 2.466 0.000 -2.107) 3.244 18.774 ( 6.446 0.000 -0.076) 6.447 18.775 ( -5.120 0.000 -0.135) 5.122 18.786 ( -5.984 0.000 0.312) 5.992 18.790 ( 4.640 0.000 -0.076) 4.641 19.122 ( 0.047 0.000 0.105) 0.115 19.124 ( -0.048 0.000 -0.107) 0.117 19.138 ( 0.138 0.000 0.225) 0.264 19.143 ( -0.157 0.000 -0.223) 0.273 19.253 ( 0.006 0.000 0.208) 0.208 19.258 ( -0.021 0.000 -0.234) 0.235 19.268 ( 0.072 0.000 0.068) 0.099 19.270 ( -0.075 0.000 -0.093) 0.120 19.288 ( 0.153 0.000 0.209) 0.259 19.294 ( -0.187 0.000 -0.351) 0.398 19.313 ( -0.112 0.000 0.404) 0.419 19.318 ( 0.186 0.000 -0.074) 0.200 19.479 ( -0.102 0.000 0.011) 0.103 19.480 ( 0.124 0.000 -0.144) 0.190 19.490 ( 0.380 0.000 0.172) 0.417 19.493 ( -0.324 0.000 -0.102) 0.339 19.511 ( -0.183 0.000 0.116) 0.216 19.515 ( 0.102 0.000 -0.290) 0.308 19.527 ( -0.040 0.000 0.096) 0.104 19.528 ( 0.053 0.000 0.032) 0.062 19.634 ( -0.095 0.000 0.015) 0.096 19.634 ( 0.087 0.000 -0.017) 0.089 19.644 ( 0.117 0.000 0.050) 0.127 19.645 ( -0.108 0.000 -0.039) 0.115 19.742 ( -0.119 0.000 0.074) 0.140 19.744 ( 0.146 0.000 -0.104) 0.180 19.767 ( -0.254 0.000 0.101) 0.273 19.769 ( 0.228 0.000 -0.082) 0.242 37.941 ( 0.035 0.000 0.006) 0.036 37.941 ( 0.036 0.000 0.006) 0.036 37.943 ( 0.099 0.000 0.032) 0.104 37.944 ( -0.137 0.000 -0.087) 0.162 38.007 ( -0.016 0.000 0.050) 0.052 38.008 ( -0.020 0.000 -0.082) 0.085 38.013 ( 0.072 0.000 0.132) 0.150 38.016 ( 0.006 0.000 -0.130) 0.130 38.050 ( -0.034 0.000 0.044) 0.056 38.051 ( 0.037 0.000 -0.045) 0.058 38.075 ( 0.019 0.000 0.007) 0.020 38.075 ( -0.026 0.000 -0.004) 0.026 38.302 ( 0.849 0.000 -0.105) 0.855 38.302 ( -0.941 0.000 -0.116) 0.948 38.316 ( -0.973 0.000 0.133) 0.983 38.317 ( 1.056 0.000 0.095) 1.060 60.573 ( 0.695 0.000 0.264) 0.743 60.590 ( -0.801 0.000 -1.336) 1.558 60.832 ( -0.483 0.000 0.963) 1.078 60.867 ( 0.181 0.000 -2.435) 2.441 60.941 ( 1.085 0.000 1.097) 1.543 60.966 ( -0.959 0.000 -0.963) 1.359 61.170 ( 2.002 0.000 5.735) 6.074 61.278 ( -1.927 0.000 -3.820) 4.278 61.384 ( 5.453 0.000 0.610) 5.487 61.396 ( -5.422 0.000 -0.199) 5.426 61.747 ( 6.766 0.000 -0.028) 6.767 61.766 ( -2.695 0.000 -1.407) 3.040 61.821 ( -3.801 0.000 2.023) 4.306 61.869 ( 3.765 0.000 -2.273) 4.398 62.003 ( -13.040 0.000 5.180) 14.031 62.097 ( 9.207 0.000 -3.651) 9.904 ======================= Grid point 51 (21/39) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -14.096 0.000 2.972) 14.406 1.353 ( -16.966 0.000 -4.674) 17.598 1.445 ( -10.315 0.000 5.514) 11.696 1.489 ( -3.507 0.000 2.158) 4.118 1.597 ( -7.910 0.000 -1.957) 8.149 1.708 ( -1.301 0.000 0.341) 1.345 1.724 ( -1.904 0.000 -1.181) 2.241 1.727 ( 0.669 0.000 -1.397) 1.549 1.823 ( -3.629 0.000 0.354) 3.647 1.867 ( -1.683 0.000 2.568) 3.070 1.946 ( 6.254 0.000 -0.918) 6.322 1.988 ( -2.943 0.000 0.823) 3.056 2.000 ( 3.975 0.000 -1.161) 4.141 2.071 ( 0.619 0.000 -1.270) 1.413 2.100 ( 6.578 0.000 0.750) 6.621 2.140 ( 9.816 0.000 -0.574) 9.833 2.171 ( -0.610 0.000 -4.040) 4.085 2.218 ( -4.045 0.000 0.732) 4.111 2.236 ( 3.302 0.000 -0.866) 3.413 2.257 ( 2.797 0.000 0.095) 2.799 2.294 ( 4.475 0.000 -0.006) 4.475 2.474 ( 4.308 0.000 -0.448) 4.332 2.588 ( -7.246 0.000 2.052) 7.531 2.630 ( -5.223 0.000 2.854) 5.952 2.857 ( -3.965 0.000 -2.712) 4.804 2.902 ( -1.435 0.000 0.268) 1.460 2.918 ( -4.580 0.000 -2.099) 5.038 2.968 ( -4.291 0.000 -3.958) 5.838 2.997 ( -2.175 0.000 -0.007) 2.175 3.033 ( -1.221 0.000 2.462) 2.748 3.195 ( -6.170 0.000 4.449) 7.607 3.222 ( -4.109 0.000 -1.094) 4.252 3.270 ( -0.516 0.000 -0.084) 0.523 3.280 ( -0.931 0.000 1.046) 1.400 3.401 ( -3.019 0.000 0.655) 3.089 3.456 ( -0.339 0.000 -1.084) 1.136 3.680 ( -12.259 0.000 0.004) 12.259 3.714 ( -4.054 0.000 2.406) 4.714 3.852 ( -4.017 0.000 -1.528) 4.298 3.898 ( -11.870 0.000 -2.140) 12.062 3.981 ( 0.489 0.000 -1.748) 1.815 3.990 ( -2.807 0.000 3.272) 4.311 4.071 ( -2.293 0.000 0.107) 2.295 4.085 ( -8.630 0.000 0.990) 8.687 4.180 ( -0.799 0.000 1.898) 2.059 4.288 ( 9.462 0.000 -2.532) 9.795 4.443 ( -13.972 0.000 2.395) 14.175 4.539 ( 2.338 0.000 0.598) 2.413 4.560 ( -0.942 0.000 1.886) 2.108 4.574 ( -5.195 0.000 -1.733) 5.476 4.596 ( -2.772 0.000 -2.031) 3.437 4.683 ( -6.391 0.000 -1.211) 6.505 4.707 ( -1.851 0.000 2.407) 3.036 4.733 ( -4.634 0.000 -1.648) 4.918 4.775 ( -4.478 0.000 1.186) 4.632 4.796 ( -1.368 0.000 -3.649) 3.897 4.848 ( 0.177 0.000 -2.426) 2.432 4.940 ( 1.345 0.000 -1.213) 1.811 4.953 ( 0.546 0.000 -0.879) 1.035 5.002 ( -4.044 0.000 0.960) 4.157 5.005 ( 2.069 0.000 2.317) 3.106 5.032 ( 2.075 0.000 1.705) 2.686 5.036 ( 1.079 0.000 -1.193) 1.608 5.050 ( 6.023 0.000 -1.295) 6.160 5.161 ( -0.008 0.000 -1.345) 1.345 5.166 ( 2.300 0.000 0.979) 2.500 5.216 ( 2.689 0.000 1.450) 3.055 5.242 ( 4.770 0.000 -0.110) 4.771 5.253 ( 4.546 0.000 3.058) 5.479 5.260 ( 3.505 0.000 1.456) 3.796 5.318 ( 0.718 0.000 -3.865) 3.931 5.336 ( 2.343 0.000 0.698) 2.445 5.350 ( 3.769 0.000 1.281) 3.981 5.371 ( 1.945 0.000 0.317) 1.970 5.405 ( -2.962 0.000 1.807) 3.470 5.448 ( -0.388 0.000 -0.790) 0.880 5.481 ( 2.460 0.000 -0.847) 2.602 5.501 ( 2.456 0.000 -0.249) 2.469 5.513 ( 3.850 0.000 0.189) 3.855 5.546 ( 5.905 0.000 -0.658) 5.942 5.566 ( 3.075 0.000 -0.984) 3.229 5.569 ( -1.969 0.000 -1.230) 2.322 5.627 ( 1.527 0.000 4.204) 4.473 5.674 ( 4.179 0.000 -2.255) 4.749 5.749 ( -3.433 0.000 3.794) 5.117 5.758 ( 0.152 0.000 1.583) 1.591 5.787 ( -0.801 0.000 -2.658) 2.777 5.806 ( 2.636 0.000 -2.143) 3.397 5.856 ( 7.330 0.000 -0.399) 7.341 5.904 ( -2.182 0.000 -2.163) 3.073 5.963 ( 0.112 0.000 3.273) 3.275 5.996 ( 2.931 0.000 -0.347) 2.951 5.996 ( -1.492 0.000 3.615) 3.911 6.012 ( 6.737 0.000 -2.116) 7.062 6.092 ( -1.588 0.000 0.082) 1.590 6.110 ( 1.319 0.000 0.157) 1.329 6.122 ( 2.113 0.000 -2.260) 3.094 6.146 ( 0.526 0.000 -3.507) 3.546 6.251 ( 0.576 0.000 -4.327) 4.365 6.269 ( -0.623 0.000 1.060) 1.230 6.278 ( -2.102 0.000 3.189) 3.819 6.350 ( 5.961 0.000 4.148) 7.262 6.393 ( 0.432 0.000 -0.665) 0.793 6.413 ( 3.482 0.000 -1.492) 3.788 6.469 ( 1.869 0.000 -4.902) 5.247 6.544 ( 4.878 0.000 4.047) 6.338 6.630 ( 0.059 0.000 -3.953) 3.953 6.636 ( 1.483 0.000 3.360) 3.673 6.662 ( -1.330 0.000 1.987) 2.391 6.709 ( -2.329 0.000 2.045) 3.100 6.712 ( 1.022 0.000 3.029) 3.197 6.772 ( -5.234 0.000 -0.413) 5.250 6.773 ( 0.088 0.000 -1.402) 1.405 6.838 ( -5.564 0.000 2.030) 5.923 6.849 ( -7.594 0.000 -3.404) 8.322 6.941 ( 0.081 0.000 1.242) 1.245 7.021 ( -6.935 0.000 0.410) 6.947 7.083 ( -0.644 0.000 -2.753) 2.828 7.229 ( -2.650 0.000 3.078) 4.062 7.286 ( 0.573 0.000 -2.946) 3.001 7.317 ( 6.616 0.000 0.775) 6.662 7.366 ( 2.472 0.000 -0.673) 2.562 7.435 ( 0.652 0.000 0.710) 0.964 7.479 ( -1.302 0.000 3.718) 3.939 7.565 ( 7.471 0.000 -3.744) 8.357 7.647 ( 4.013 0.000 -2.704) 4.839 7.777 ( -0.515 0.000 0.282) 0.587 7.795 ( 1.448 0.000 2.309) 2.726 7.974 ( 3.404 0.000 4.917) 5.980 7.975 ( 3.638 0.000 -4.121) 5.497 8.120 ( -0.084 0.000 0.003) 0.084 8.223 ( 5.690 0.000 -1.085) 5.792 8.384 ( 5.643 0.000 2.166) 6.045 8.387 ( 5.689 0.000 -0.110) 5.690 8.547 ( 1.221 0.000 -3.065) 3.299 8.576 ( 3.145 0.000 1.049) 3.315 8.934 ( -9.198 0.000 -2.880) 9.638 8.964 ( -8.699 0.000 3.125) 9.243 9.367 ( 10.789 0.000 -0.291) 10.793 9.389 ( 10.412 0.000 -0.045) 10.412 18.623 ( -8.132 0.000 -0.317) 8.138 18.649 ( -7.070 0.000 0.412) 7.082 18.900 ( 5.350 0.000 0.031) 5.350 18.905 ( 5.145 0.000 -0.031) 5.145 19.120 ( -0.296 0.000 -0.116) 0.318 19.121 ( -0.178 0.000 0.117) 0.213 19.137 ( -0.265 0.000 -0.258) 0.369 19.143 ( 0.084 0.000 0.316) 0.328 19.252 ( -0.297 0.000 0.193) 0.354 19.254 ( -0.189 0.000 -0.180) 0.261 19.269 ( 0.072 0.000 -0.092) 0.117 19.272 ( 0.231 0.000 0.101) 0.252 19.291 ( 0.082 0.000 -0.166) 0.185 19.296 ( 0.391 0.000 0.213) 0.446 19.312 ( -0.193 0.000 0.157) 0.248 19.321 ( 0.185 0.000 -0.210) 0.280 19.474 ( -0.336 0.000 0.018) 0.337 19.479 ( -0.153 0.000 -0.078) 0.172 19.485 ( -0.241 0.000 -0.305) 0.389 19.500 ( 0.448 0.000 0.215) 0.497 19.511 ( 0.166 0.000 0.144) 0.220 19.518 ( 0.296 0.000 -0.105) 0.314 19.528 ( 0.037 0.000 0.021) 0.042 19.530 ( 0.207 0.000 -0.005) 0.207 19.625 ( -0.529 0.000 0.046) 0.531 19.627 ( -0.526 0.000 -0.048) 0.529 19.652 ( 0.561 0.000 -0.018) 0.561 19.654 ( 0.595 0.000 0.020) 0.595 19.734 ( -0.625 0.000 0.026) 0.625 19.737 ( -0.590 0.000 -0.034) 0.591 19.770 ( 0.386 0.000 0.018) 0.386 19.779 ( 0.672 0.000 -0.018) 0.673 37.934 ( -0.367 0.000 -0.061) 0.372 37.937 ( -0.209 0.000 -0.027) 0.210 37.947 ( 0.148 0.000 -0.053) 0.157 37.949 ( 0.199 0.000 0.053) 0.206 38.004 ( -0.209 0.000 0.102) 0.233 38.004 ( -0.171 0.000 -0.078) 0.188 38.019 ( 0.308 0.000 -0.236) 0.388 38.020 ( 0.345 0.000 0.073) 0.353 38.051 ( 0.017 0.000 0.034) 0.038 38.052 ( 0.055 0.000 -0.034) 0.065 38.076 ( 0.081 0.000 0.033) 0.088 38.077 ( 0.120 0.000 -0.031) 0.124 38.280 ( -1.032 0.000 0.095) 1.036 38.288 ( -1.267 0.000 -0.075) 1.269 38.330 ( 1.298 0.000 0.106) 1.302 38.342 ( 1.241 0.000 -0.093) 1.244 60.547 ( -2.498 0.000 -1.233) 2.786 60.575 ( -0.924 0.000 1.215) 1.526 60.804 ( -3.182 0.000 1.250) 3.419 60.825 ( -2.563 0.000 -1.134) 2.803 60.917 ( -2.826 0.000 -1.883) 3.396 60.957 ( -0.478 0.000 1.827) 1.889 61.134 ( -7.246 0.000 -5.203) 8.921 61.183 ( -4.752 0.000 5.639) 7.374 61.283 ( -4.828 0.000 -3.375) 5.891 61.498 ( -1.480 0.000 2.922) 3.276 61.516 ( -14.212 0.000 0.189) 14.213 61.631 ( -7.360 0.000 -0.636) 7.387 61.874 ( 5.660 0.000 2.995) 6.403 61.878 ( 4.072 0.000 -4.717) 6.231 62.157 ( 13.591 0.000 6.157) 14.921 62.389 ( 16.795 0.000 -4.352) 17.349 ======================= Grid point 52 (22/39) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -21.056 0.000 4.083) 21.448 0.926 ( -21.926 0.000 -2.878) 22.114 1.357 ( -3.551 0.000 8.573) 9.280 1.381 ( -8.878 0.000 0.787) 8.913 1.462 ( -3.065 0.000 -0.160) 3.069 1.522 ( -19.829 0.000 1.334) 19.874 1.579 ( -13.686 0.000 -6.612) 15.200 1.741 ( 0.901 0.000 0.917) 1.285 1.745 ( 1.099 0.000 -1.537) 1.890 1.875 ( 1.051 0.000 3.611) 3.761 1.943 ( -1.627 0.000 1.864) 2.474 1.995 ( -5.554 0.000 4.498) 7.147 2.048 ( -0.283 0.000 -2.605) 2.621 2.088 ( 7.965 0.000 -3.478) 8.692 2.138 ( 3.955 0.000 0.725) 4.021 2.190 ( 3.605 0.000 -0.978) 3.735 2.260 ( -0.176 0.000 2.575) 2.581 2.300 ( 3.791 0.000 -3.486) 5.150 2.336 ( 7.710 0.000 0.160) 7.711 2.339 ( 5.620 0.000 -1.312) 5.771 2.411 ( 6.662 0.000 0.679) 6.697 2.503 ( -0.705 0.000 -0.150) 0.721 2.517 ( -1.780 0.000 0.183) 1.789 2.551 ( 0.343 0.000 -1.506) 1.545 2.683 ( -9.401 0.000 -6.218) 11.271 2.828 ( -3.446 0.000 -0.454) 3.476 2.831 ( -5.171 0.000 -0.669) 5.214 2.845 ( -4.020 0.000 -5.328) 6.674 2.933 ( -3.738 0.000 -0.357) 3.755 2.988 ( -5.185 0.000 2.132) 5.607 3.080 ( -7.943 0.000 2.788) 8.418 3.107 ( -5.518 0.000 -2.166) 5.928 3.252 ( -3.086 0.000 0.364) 3.108 3.271 ( -2.392 0.000 3.598) 4.320 3.321 ( -5.295 0.000 0.927) 5.375 3.333 ( -8.585 0.000 -2.640) 8.982 3.531 ( -4.961 0.000 1.587) 5.209 3.576 ( -10.975 0.000 5.130) 12.115 3.683 ( -1.893 0.000 2.460) 3.104 3.774 ( -4.957 0.000 -2.447) 5.528 3.853 ( -8.676 0.000 -3.915) 9.518 3.995 ( -1.988 0.000 -3.113) 3.693 4.026 ( 1.688 0.000 2.429) 2.958 4.035 ( -1.727 0.000 2.466) 3.011 4.172 ( -10.069 0.000 3.169) 10.556 4.197 ( 0.238 0.000 2.949) 2.958 4.382 ( -7.079 0.000 -5.422) 8.916 4.438 ( 4.387 0.000 -4.606) 6.361 4.500 ( -1.084 0.000 -1.623) 1.952 4.535 ( -4.445 0.000 0.290) 4.455 4.571 ( -4.266 0.000 2.614) 5.003 4.591 ( -0.824 0.000 -1.034) 1.323 4.644 ( -4.053 0.000 1.251) 4.241 4.649 ( -6.596 0.000 -1.030) 6.676 4.727 ( 2.610 0.000 1.248) 2.894 4.773 ( -0.331 0.000 1.644) 1.677 4.860 ( 0.191 0.000 0.732) 0.756 4.936 ( -0.514 0.000 -1.839) 1.909 4.959 ( -0.595 0.000 2.321) 2.396 4.973 ( 1.674 0.000 -1.310) 2.126 5.023 ( 0.779 0.000 0.004) 0.779 5.060 ( -0.014 0.000 -1.083) 1.083 5.091 ( 1.779 0.000 6.079) 6.334 5.101 ( -0.997 0.000 -2.142) 2.363 5.159 ( -0.485 0.000 3.088) 3.126 5.232 ( 4.358 0.000 -0.437) 4.380 5.253 ( -0.646 0.000 -2.416) 2.501 5.259 ( 0.152 0.000 1.240) 1.249 5.292 ( -2.955 0.000 3.143) 4.314 5.312 ( 3.100 0.000 -1.222) 3.332 5.350 ( -0.200 0.000 -1.072) 1.090 5.362 ( 2.795 0.000 0.419) 2.826 5.419 ( 1.710 0.000 -0.081) 1.712 5.428 ( 1.398 0.000 0.471) 1.475 5.442 ( -0.976 0.000 -1.266) 1.599 5.470 ( 7.309 0.000 -0.488) 7.325 5.493 ( 1.649 0.000 -0.782) 1.825 5.532 ( 1.816 0.000 -4.544) 4.894 5.555 ( 5.509 0.000 0.428) 5.526 5.581 ( 0.423 0.000 -1.033) 1.116 5.617 ( 1.052 0.000 3.533) 3.686 5.618 ( 0.877 0.000 -2.087) 2.264 5.701 ( -3.647 0.000 0.213) 3.653 5.733 ( -1.759 0.000 1.542) 2.339 5.750 ( 6.427 0.000 -3.655) 7.393 5.800 ( 5.576 0.000 -2.151) 5.976 5.813 ( 3.418 0.000 -1.855) 3.889 5.833 ( 5.355 0.000 2.773) 6.030 5.867 ( 0.082 0.000 0.468) 0.475 5.932 ( -1.509 0.000 -0.093) 1.512 6.005 ( 0.788 0.000 2.968) 3.071 6.018 ( 2.128 0.000 -1.283) 2.484 6.032 ( 3.489 0.000 1.149) 3.674 6.078 ( -0.957 0.000 -0.317) 1.009 6.085 ( 5.063 0.000 -2.716) 5.746 6.108 ( 0.026 0.000 2.132) 2.132 6.170 ( 2.618 0.000 -6.504) 7.011 6.214 ( 3.547 0.000 0.040) 3.548 6.251 ( 4.515 0.000 -5.047) 6.772 6.278 ( 0.891 0.000 2.591) 2.740 6.345 ( -2.566 0.000 -6.154) 6.668 6.353 ( 2.336 0.000 7.818) 8.160 6.437 ( 2.741 0.000 -3.886) 4.755 6.461 ( -2.360 0.000 2.744) 3.619 6.476 ( 3.598 0.000 1.191) 3.790 6.608 ( 0.775 0.000 -1.962) 2.109 6.625 ( 1.007 0.000 1.095) 1.488 6.637 ( -4.904 0.000 0.714) 4.956 6.673 ( -1.393 0.000 -1.313) 1.914 6.682 ( 0.123 0.000 1.398) 1.403 6.720 ( -1.361 0.000 -0.420) 1.425 6.732 ( -4.024 0.000 4.632) 6.136 6.755 ( 0.547 0.000 -1.359) 1.464 6.774 ( 2.897 0.000 2.891) 4.093 6.785 ( 2.399 0.000 4.128) 4.774 6.894 ( -4.843 0.000 -0.994) 4.943 6.930 ( -1.241 0.000 -1.393) 1.866 7.057 ( -0.429 0.000 -1.916) 1.963 7.210 ( -0.472 0.000 0.469) 0.665 7.246 ( -3.147 0.000 2.961) 4.321 7.362 ( 0.056 0.000 -4.187) 4.188 7.422 ( 2.076 0.000 0.971) 2.292 7.473 ( 2.415 0.000 1.204) 2.699 7.506 ( 0.848 0.000 3.002) 3.119 7.670 ( 0.048 0.000 -3.591) 3.591 7.699 ( 8.174 0.000 -4.225) 9.201 7.740 ( -2.747 0.000 -0.172) 2.753 7.850 ( 2.001 0.000 2.600) 3.281 8.061 ( 7.112 0.000 -2.235) 7.455 8.068 ( 1.403 0.000 4.464) 4.679 8.160 ( 3.085 0.000 5.176) 6.026 8.352 ( 8.499 0.000 -2.831) 8.958 8.520 ( 2.219 0.000 2.334) 3.221 8.558 ( 9.694 0.000 0.953) 9.741 8.574 ( 6.581 0.000 -2.341) 6.985 8.651 ( 2.432 0.000 0.329) 2.454 8.748 ( -4.604 0.000 -4.267) 6.277 8.872 ( -3.157 0.000 5.159) 6.049 9.555 ( 8.447 0.000 -0.928) 8.498 9.589 ( 9.000 0.000 0.370) 9.008 18.459 ( -7.857 0.000 -0.125) 7.858 18.518 ( -6.056 0.000 -0.011) 6.056 18.987 ( 3.418 0.000 0.027) 3.418 18.990 ( 3.432 0.000 -0.021) 3.432 19.112 ( -0.356 0.000 -0.044) 0.359 19.117 ( -0.286 0.000 0.051) 0.290 19.130 ( -0.350 0.000 -0.136) 0.375 19.146 ( 0.071 0.000 0.244) 0.254 19.246 ( -0.416 0.000 0.133) 0.437 19.249 ( -0.155 0.000 -0.245) 0.290 19.271 ( 0.175 0.000 0.003) 0.175 19.277 ( 0.234 0.000 0.048) 0.239 19.292 ( 0.030 0.000 0.099) 0.104 19.304 ( 0.289 0.000 0.055) 0.294 19.309 ( -0.166 0.000 0.006) 0.166 19.320 ( 0.035 0.000 -0.888) 0.889 19.467 ( -0.320 0.000 0.071) 0.328 19.474 ( -0.217 0.000 -0.080) 0.232 19.481 ( -0.065 0.000 0.205) 0.215 19.510 ( 0.422 0.000 0.007) 0.422 19.518 ( 0.262 0.000 0.239) 0.355 19.523 ( 0.273 0.000 -0.015) 0.273 19.529 ( 0.048 0.000 0.035) 0.059 19.536 ( 0.353 0.000 -0.073) 0.361 19.616 ( -0.408 0.000 0.065) 0.413 19.617 ( -0.386 0.000 -0.069) 0.392 19.663 ( 0.482 0.000 0.027) 0.482 19.665 ( 0.476 0.000 -0.030) 0.477 19.721 ( -0.593 0.000 0.025) 0.593 19.725 ( -0.555 0.000 -0.030) 0.555 19.778 ( 0.355 0.000 0.132) 0.379 19.792 ( 0.619 0.000 -0.089) 0.625 37.930 ( 0.016 0.000 0.077) 0.078 37.934 ( -0.001 0.000 -0.112) 0.112 37.948 ( 0.022 0.000 -0.059) 0.063 37.951 ( -0.027 0.000 0.049) 0.056 38.001 ( -0.171 0.000 0.118) 0.208 38.002 ( -0.075 0.000 -0.068) 0.102 38.022 ( 0.185 0.000 -0.223) 0.290 38.025 ( 0.135 0.000 -0.091) 0.163 38.052 ( 0.066 0.000 0.030) 0.072 38.053 ( 0.059 0.000 -0.022) 0.063 38.077 ( -0.051 0.000 -0.077) 0.093 38.078 ( 0.045 0.000 0.101) 0.111 38.263 ( -0.754 0.000 0.175) 0.774 38.263 ( -1.014 0.000 -0.147) 1.024 38.357 ( 1.196 0.000 0.271) 1.226 38.363 ( 0.927 0.000 -0.234) 0.956 60.482 ( -3.243 0.000 -0.013) 3.243 60.558 ( -2.015 0.000 2.329) 3.080 60.732 ( -4.127 0.000 -0.016) 4.127 60.765 ( -2.870 0.000 0.349) 2.891 60.823 ( -4.831 0.000 -2.613) 5.492 60.944 ( -2.439 0.000 -2.784) 3.701 60.973 ( -4.894 0.000 1.895) 5.248 61.112 ( -4.750 0.000 2.298) 5.277 61.143 ( -7.414 0.000 2.249) 7.747 61.232 ( -15.408 0.000 -1.591) 15.490 61.298 ( -7.758 0.000 0.980) 7.819 61.712 ( 7.227 0.000 -5.333) 8.981 61.958 ( 6.384 0.000 -0.521) 6.405 62.047 ( 7.495 0.000 7.030) 10.276 62.470 ( 11.788 0.000 7.763) 14.114 62.628 ( 11.633 0.000 -10.622) 15.753 ======================= Grid point 53 (23/39) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -19.392 0.000 8.147) 21.034 0.533 ( -19.720 0.000 9.456) 21.870 1.034 ( -31.341 0.000 25.742) 40.557 1.156 ( -8.837 0.000 -11.890) 14.814 1.242 ( -10.160 0.000 -15.743) 18.737 1.437 ( 1.744 0.000 10.194) 10.343 1.479 ( 0.091 0.000 9.288) 9.288 1.752 ( 1.292 0.000 -2.692) 2.986 1.779 ( 1.625 0.000 0.678) 1.761 1.909 ( -3.633 0.000 2.862) 4.625 1.922 ( 0.071 0.000 0.252) 0.261 1.981 ( 0.073 0.000 3.933) 3.934 2.050 ( 2.898 0.000 -0.921) 3.041 2.116 ( 0.019 0.000 -23.864) 23.864 2.192 ( 0.491 0.000 1.001) 1.115 2.205 ( -2.556 0.000 -4.996) 5.612 2.272 ( 5.169 0.000 -3.182) 6.070 2.292 ( -0.873 0.000 1.125) 1.424 2.390 ( -0.044 0.000 2.185) 2.185 2.444 ( 3.429 0.000 -0.735) 3.507 2.498 ( 0.539 0.000 -0.818) 0.980 2.526 ( 3.812 0.000 -1.664) 4.160 2.545 ( 1.960 0.000 1.000) 2.201 2.561 ( 6.349 0.000 -1.496) 6.523 2.591 ( 1.637 0.000 0.421) 1.690 2.719 ( -5.087 0.000 0.124) 5.089 2.737 ( -2.788 0.000 -4.509) 5.301 2.757 ( -3.543 0.000 -0.333) 3.558 2.852 ( -3.629 0.000 -1.264) 3.843 2.870 ( -6.651 0.000 -0.492) 6.670 2.941 ( -5.054 0.000 -0.629) 5.093 2.994 ( -3.857 0.000 -2.089) 4.386 3.122 ( -7.561 0.000 4.683) 8.893 3.200 ( -5.752 0.000 -0.574) 5.781 3.223 ( -6.135 0.000 1.294) 6.270 3.252 ( -1.711 0.000 -1.500) 2.275 3.393 ( -6.917 0.000 7.980) 10.561 3.580 ( -0.010 0.000 5.900) 5.900 3.594 ( -5.089 0.000 -4.475) 6.776 3.675 ( -2.009 0.000 -1.249) 2.366 3.744 ( -1.756 0.000 2.641) 3.172 3.897 ( -2.659 0.000 -9.710) 10.068 4.037 ( -0.274 0.000 -1.022) 1.058 4.038 ( -1.165 0.000 -0.579) 1.301 4.097 ( -1.253 0.000 10.024) 10.102 4.227 ( -0.180 0.000 -0.629) 0.654 4.292 ( 1.573 0.000 0.716) 1.728 4.371 ( -3.491 0.000 -0.855) 3.594 4.451 ( -3.287 0.000 0.665) 3.353 4.475 ( -6.548 0.000 3.165) 7.273 4.520 ( -4.445 0.000 -1.411) 4.663 4.559 ( 3.580 0.000 -7.725) 8.514 4.588 ( -1.085 0.000 3.176) 3.356 4.623 ( 2.049 0.000 4.590) 5.027 4.765 ( -0.118 0.000 -0.056) 0.130 4.801 ( 1.778 0.000 1.476) 2.311 4.846 ( -0.497 0.000 -2.307) 2.360 4.907 ( -0.741 0.000 -1.971) 2.106 4.970 ( -1.368 0.000 2.571) 2.912 4.981 ( -2.453 0.000 -0.030) 2.453 5.040 ( 1.637 0.000 -1.701) 2.361 5.060 ( -0.306 0.000 -0.766) 0.825 5.084 ( 1.483 0.000 1.254) 1.942 5.130 ( -1.158 0.000 -0.070) 1.160 5.178 ( -0.558 0.000 5.290) 5.319 5.205 ( -0.785 0.000 -1.739) 1.908 5.217 ( -2.125 0.000 1.226) 2.453 5.276 ( 0.806 0.000 -0.756) 1.105 5.318 ( 3.546 0.000 0.133) 3.548 5.355 ( -2.405 0.000 -2.720) 3.631 5.375 ( -1.980 0.000 -4.502) 4.919 5.402 ( -0.294 0.000 0.632) 0.697 5.409 ( 3.049 0.000 -0.252) 3.060 5.436 ( -0.023 0.000 2.335) 2.335 5.437 ( 2.279 0.000 3.616) 4.274 5.512 ( -3.745 0.000 -0.688) 3.807 5.531 ( 4.018 0.000 -6.262) 7.440 5.558 ( -1.161 0.000 -0.686) 1.349 5.565 ( 2.880 0.000 -0.774) 2.982 5.588 ( -1.198 0.000 -1.838) 2.194 5.626 ( -1.416 0.000 0.654) 1.560 5.667 ( 3.834 0.000 -1.657) 4.176 5.677 ( 1.303 0.000 3.337) 3.583 5.704 ( -1.088 0.000 1.274) 1.675 5.751 ( -0.948 0.000 -3.657) 3.777 5.820 ( -0.599 0.000 2.280) 2.357 5.854 ( -1.763 0.000 -2.338) 2.928 5.914 ( 0.810 0.000 -5.901) 5.956 5.921 ( 2.142 0.000 1.957) 2.902 5.959 ( -7.102 0.000 -8.415) 11.011 5.965 ( 2.373 0.000 -0.106) 2.376 6.029 ( 0.103 0.000 -2.516) 2.518 6.064 ( -0.915 0.000 -1.219) 1.524 6.069 ( 2.530 0.000 -0.935) 2.698 6.149 ( 1.242 0.000 -1.053) 1.628 6.176 ( 2.971 0.000 -2.830) 4.103 6.209 ( 5.570 0.000 1.121) 5.682 6.221 ( 1.742 0.000 0.793) 1.914 6.268 ( 2.438 0.000 -4.179) 4.839 6.270 ( 4.119 0.000 -2.400) 4.767 6.328 ( -0.962 0.000 1.110) 1.469 6.375 ( -4.310 0.000 -0.208) 4.315 6.473 ( 2.670 0.000 5.983) 6.551 6.513 ( 1.726 0.000 5.649) 5.906 6.522 ( 0.702 0.000 -0.111) 0.710 6.539 ( -4.635 0.000 0.031) 4.635 6.613 ( 0.454 0.000 0.392) 0.600 6.643 ( -1.661 0.000 2.912) 3.353 6.662 ( -0.324 0.000 -2.275) 2.298 6.673 ( 1.294 0.000 1.434) 1.931 6.688 ( -2.544 0.000 5.315) 5.892 6.707 ( 1.134 0.000 -2.895) 3.109 6.780 ( -1.157 0.000 -5.517) 5.637 6.794 ( 1.408 0.000 -0.087) 1.411 6.876 ( 2.022 0.000 5.022) 5.414 6.891 ( 4.770 0.000 0.547) 4.801 6.933 ( 1.651 0.000 -1.552) 2.266 7.016 ( -2.520 0.000 -3.263) 4.122 7.210 ( -1.876 0.000 2.539) 3.157 7.225 ( -0.773 0.000 4.137) 4.209 7.317 ( -0.409 0.000 -5.289) 5.304 7.447 ( 0.952 0.000 -1.290) 1.603 7.533 ( 2.449 0.000 1.563) 2.905 7.537 ( 0.528 0.000 0.762) 0.927 7.594 ( -4.542 0.000 -3.087) 5.492 7.674 ( -3.851 0.000 0.830) 3.939 7.817 ( 6.010 0.000 -2.946) 6.693 7.897 ( 1.064 0.000 0.694) 1.270 8.137 ( 1.136 0.000 6.768) 6.863 8.200 ( 6.717 0.000 0.612) 6.745 8.316 ( 7.764 0.000 5.986) 9.804 8.485 ( 1.063 0.000 -0.896) 1.390 8.553 ( 2.409 0.000 -9.060) 9.375 8.569 ( 1.706 0.000 7.682) 7.869 8.707 ( 5.862 0.000 0.407) 5.876 8.729 ( 4.673 0.000 -0.493) 4.699 8.848 ( 8.804 0.000 5.323) 10.288 8.956 ( 9.152 0.000 10.252) 13.743 9.688 ( 5.310 0.000 0.135) 5.311 9.734 ( 5.189 0.000 -0.355) 5.201 18.323 ( -5.247 0.000 0.023) 5.248 18.400 ( -5.557 0.000 -3.267) 6.446 19.038 ( 1.680 0.000 0.106) 1.683 19.041 ( 1.693 0.000 -0.027) 1.693 19.106 ( -0.217 0.000 0.062) 0.225 19.112 ( -0.239 0.000 -0.051) 0.245 19.122 ( -0.303 0.000 -0.001) 0.303 19.146 ( -0.293 0.000 -0.631) 0.696 19.239 ( -0.728 0.000 -0.847) 1.117 19.239 ( -0.308 0.000 0.082) 0.319 19.275 ( 0.137 0.000 0.069) 0.154 19.281 ( 0.082 0.000 -0.116) 0.143 19.290 ( -0.319 0.000 0.146) 0.351 19.300 ( -0.847 0.000 -1.456) 1.684 19.308 ( 0.059 0.000 -0.005) 0.059 19.310 ( 0.009 0.000 -0.081) 0.081 19.463 ( -0.173 0.000 0.140) 0.223 19.470 ( -0.134 0.000 -0.133) 0.189 19.496 ( 1.131 0.000 1.600) 1.959 19.516 ( 0.245 0.000 -0.070) 0.255 19.524 ( 0.149 0.000 0.220) 0.266 19.528 ( 0.170 0.000 -0.029) 0.172 19.531 ( 0.220 0.000 0.372) 0.432 19.543 ( 0.390 0.000 -0.089) 0.400 19.610 ( -0.231 0.000 0.066) 0.241 19.611 ( -0.153 0.000 -0.050) 0.161 19.671 ( 0.261 0.000 0.038) 0.264 19.672 ( 0.267 0.000 -0.054) 0.272 19.712 ( -0.340 0.000 0.052) 0.344 19.716 ( -0.348 0.000 -0.095) 0.361 19.788 ( 0.425 0.000 0.517) 0.669 19.801 ( 0.387 0.000 -0.196) 0.434 37.936 ( 0.256 0.000 -0.101) 0.275 37.936 ( 0.369 0.000 0.265) 0.454 37.947 ( -0.100 0.000 -0.030) 0.104 37.949 ( -0.203 0.000 0.050) 0.209 37.998 ( -0.177 0.000 0.105) 0.206 37.999 ( -0.074 0.000 -0.130) 0.149 38.024 ( 0.017 0.000 -0.186) 0.187 38.026 ( 0.245 0.000 0.241) 0.343 38.053 ( 0.056 0.000 0.032) 0.065 38.054 ( 0.034 0.000 -0.030) 0.045 38.075 ( -0.098 0.000 -0.000) 0.098 38.078 ( -0.063 0.000 0.070) 0.094 38.247 ( -0.500 0.000 -0.021) 0.501 38.251 ( -0.491 0.000 0.006) 0.491 38.376 ( 0.565 0.000 -0.183) 0.594 38.378 ( 0.638 0.000 0.188) 0.665 60.434 ( -2.026 0.000 2.135) 2.943 60.530 ( -2.665 0.000 2.836) 3.892 60.653 ( -2.308 0.000 -3.244) 3.981 60.708 ( -3.449 0.000 -2.980) 4.558 60.731 ( -0.620 0.000 -0.539) 0.822 60.859 ( -2.176 0.000 -1.325) 2.548 60.939 ( -6.455 0.000 3.036) 7.133 60.976 ( -4.163 0.000 -1.119) 4.311 61.003 ( -7.628 0.000 5.506) 9.408 61.087 ( -2.281 0.000 0.277) 2.298 61.308 ( 9.110 0.000 16.424) 18.782 61.780 ( 5.653 0.000 -8.051) 9.837 62.098 ( 6.134 0.000 0.366) 6.144 62.297 ( 12.158 0.000 14.444) 18.880 62.626 ( -3.171 0.000 -20.105) 20.353 62.708 ( 5.138 0.000 8.216) 9.691 ======================= Grid point 54 (24/39) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -1.748 14.782 13.466) 20.072 0.750 ( -3.407 14.523 18.141) 23.487 0.923 ( -2.908 6.046 -12.349) 14.054 1.146 ( -1.582 14.017 -15.660) 21.076 1.249 ( 4.431 28.164 24.360) 37.500 1.531 ( 0.285 -2.666 5.984) 6.557 1.580 ( 1.882 -2.432 -0.554) 3.124 1.665 ( -0.340 -2.199 -4.156) 4.714 1.720 ( 2.113 -5.904 3.789) 7.327 1.783 ( -3.726 -6.876 2.835) 8.319 1.897 ( -0.650 0.314 -2.510) 2.611 1.925 ( 2.555 -3.851 -3.252) 5.651 2.028 ( -1.393 6.790 -10.789) 12.824 2.101 ( 2.272 -1.143 -11.970) 12.237 2.169 ( -0.161 1.141 1.243) 1.695 2.202 ( 0.580 0.914 -1.584) 1.918 2.300 ( 0.816 1.779 1.709) 2.599 2.352 ( 0.522 2.617 0.058) 2.670 2.440 ( 0.427 -1.590 -0.841) 1.849 2.465 ( -1.672 2.489 -1.950) 3.577 2.555 ( 0.624 1.806 1.052) 2.181 2.585 ( -0.818 1.215 0.571) 1.572 2.600 ( 0.628 -0.708 -0.106) 0.952 2.609 ( 2.232 0.284 -0.356) 2.278 2.633 ( -1.081 -0.565 0.111) 1.224 2.640 ( -0.678 -1.150 0.002) 1.335 2.692 ( -1.181 4.701 -0.128) 4.849 2.706 ( -1.744 2.360 -0.448) 2.969 2.784 ( 0.954 0.121 0.213) 0.985 2.811 ( -0.866 1.504 -2.459) 3.009 2.899 ( 0.102 0.071 2.631) 2.634 2.950 ( -0.502 2.339 -2.264) 3.294 3.053 ( 0.815 -1.562 1.173) 2.117 3.076 ( 0.371 -0.889 -0.452) 1.064 3.148 ( -0.669 -2.145 2.516) 3.373 3.190 ( 0.281 -2.361 -1.004) 2.581 3.315 ( 0.284 -4.026 6.578) 7.717 3.450 ( -1.514 -4.862 -5.388) 7.414 3.581 ( -0.208 -4.237 8.543) 9.538 3.733 ( 1.014 -5.460 -5.072) 7.521 3.756 ( 0.585 4.633 4.965) 6.816 3.868 ( -2.213 6.225 -4.690) 8.102 4.068 ( -0.953 7.299 1.027) 7.432 4.103 ( 1.381 4.948 -0.015) 5.137 4.154 ( 1.387 3.551 2.676) 4.657 4.261 ( 1.060 3.320 -2.955) 4.569 4.333 ( -1.160 1.006 0.430) 1.594 4.355 ( -1.202 0.689 -0.870) 1.636 4.462 ( 2.039 0.309 0.350) 2.092 4.485 ( -2.107 1.770 0.054) 2.752 4.500 ( -0.245 4.854 -0.320) 4.871 4.535 ( -0.254 0.380 -1.705) 1.765 4.648 ( 0.836 0.895 2.926) 3.172 4.700 ( -1.442 1.331 -1.083) 2.242 4.752 ( 2.399 -1.955 1.707) 3.535 4.782 ( 2.907 0.011 0.042) 2.908 4.874 ( 2.513 1.562 -1.277) 3.222 4.903 ( -1.013 3.989 -2.283) 4.706 4.939 ( 0.275 1.600 4.047) 4.361 5.009 ( -2.528 1.436 -0.549) 2.959 5.014 ( 0.523 -2.411 2.597) 3.582 5.052 ( -1.498 -1.458 1.135) 2.378 5.102 ( 0.681 0.210 -0.764) 1.045 5.107 ( 1.308 0.789 -2.306) 2.766 5.147 ( -0.056 -1.907 -0.662) 2.019 5.169 ( -0.130 -1.273 -1.655) 2.091 5.209 ( -1.133 -0.753 3.091) 3.377 5.245 ( 0.148 -0.392 1.172) 1.245 5.307 ( -2.218 -0.511 0.500) 2.330 5.337 ( -0.565 -1.724 2.767) 3.309 5.364 ( -0.102 -1.508 0.802) 1.711 5.373 ( 0.426 -1.304 -0.968) 1.679 5.394 ( -0.658 -2.370 -0.688) 2.554 5.425 ( 1.193 -1.359 -5.063) 5.376 5.451 ( -0.066 -0.557 -0.427) 0.705 5.454 ( -0.932 1.451 0.675) 1.852 5.524 ( 3.382 -2.288 2.120) 4.601 5.537 ( -0.260 0.816 1.562) 1.782 5.569 ( 2.124 0.406 -1.762) 2.789 5.586 ( -0.032 0.014 -0.682) 0.683 5.635 ( -0.662 -0.622 0.786) 1.201 5.637 ( -3.425 -2.175 -0.164) 4.060 5.686 ( 1.538 -1.683 0.363) 2.308 5.728 ( -0.898 -0.730 1.875) 2.204 5.734 ( 0.303 -1.106 -1.880) 2.202 5.781 ( 1.859 1.646 -0.628) 2.561 5.828 ( -3.246 0.326 -2.222) 3.947 5.855 ( 1.615 1.951 -1.840) 3.130 5.898 ( 1.452 4.262 -0.298) 4.512 5.925 ( -3.386 2.867 -3.465) 5.630 5.978 ( 1.590 -0.788 4.148) 4.512 6.025 ( 1.184 -2.241 2.842) 3.808 6.069 ( 0.082 -2.027 -1.233) 2.374 6.095 ( -0.115 -2.227 -0.235) 2.242 6.122 ( 0.483 -1.451 1.076) 1.870 6.175 ( -0.859 -2.352 -2.634) 3.634 6.216 ( -0.754 -3.003 -0.614) 3.157 6.235 ( -2.297 -2.161 -2.600) 4.087 6.260 ( 0.940 -1.837 0.430) 2.108 6.292 ( 0.390 0.411 -2.124) 2.198 6.293 ( 0.861 -0.988 -0.475) 1.394 6.363 ( 2.870 -0.903 -3.578) 4.675 6.430 ( 0.834 -1.534 1.133) 2.081 6.471 ( -1.281 -1.296 -2.484) 3.081 6.526 ( -0.646 -2.562 3.941) 4.744 6.559 ( -0.529 -0.903 3.198) 3.365 6.598 ( -1.233 -0.348 3.504) 3.731 6.624 ( -0.588 0.100 0.001) 0.596 6.640 ( -1.019 0.371 3.294) 3.468 6.701 ( -0.121 0.581 -2.260) 2.337 6.716 ( -1.501 -0.296 6.128) 6.316 6.789 ( 2.817 -1.360 -0.761) 3.219 6.849 ( 1.647 6.477 0.758) 6.726 6.874 ( -0.744 4.554 -0.792) 4.682 6.905 ( -0.631 2.980 0.419) 3.075 6.938 ( -0.910 3.726 -1.297) 4.049 6.975 ( 0.528 4.349 2.456) 5.022 7.030 ( -0.333 3.860 -2.185) 4.448 7.190 ( -1.398 0.044 2.586) 2.939 7.244 ( 1.224 -2.824 -0.759) 3.170 7.304 ( 1.937 1.349 1.585) 2.843 7.408 ( -1.509 -0.647 -6.046) 6.265 7.472 ( -1.095 -2.751 1.968) 3.556 7.511 ( -0.223 -3.226 -1.053) 3.400 7.582 ( -0.741 -1.974 0.177) 2.116 7.585 ( 1.796 -1.935 0.105) 2.643 7.794 ( 0.746 -6.511 2.320) 6.952 7.870 ( 0.254 -5.143 -5.132) 7.270 8.223 ( -1.321 4.658 7.993) 9.345 8.308 ( -5.283 0.431 6.649) 8.503 8.397 ( 2.300 2.358 -6.359) 7.161 8.446 ( 4.516 1.863 -4.217) 6.453 8.539 ( -4.334 -2.812 0.039) 5.166 8.577 ( 3.413 -4.400 -3.138) 6.392 8.753 ( 0.115 -1.526 1.997) 2.516 8.783 ( -0.080 1.396 -1.062) 1.756 9.027 ( 1.321 -0.643 8.209) 8.340 9.176 ( -3.704 -5.763 -5.409) 8.729 9.720 ( 1.261 -1.562 -0.489) 2.066 9.729 ( -0.786 -3.368 -0.864) 3.565 18.270 ( -0.217 0.131 0.140) 0.289 18.274 ( -0.077 0.119 -0.251) 0.288 19.056 ( 0.044 -0.003 0.119) 0.127 19.058 ( -0.024 -0.021 -0.092) 0.098 19.108 ( 0.023 0.179 0.012) 0.181 19.110 ( -0.010 0.126 -0.085) 0.153 19.119 ( 0.091 -0.132 0.072) 0.176 19.120 ( -0.228 -0.146 -0.044) 0.274 19.227 ( 0.213 -0.172 0.180) 0.328 19.231 ( -0.105 -0.235 -0.194) 0.322 19.279 ( 0.004 0.119 -0.013) 0.120 19.281 ( 0.009 0.101 -0.157) 0.187 19.287 ( -0.050 0.048 0.106) 0.126 19.288 ( 0.134 0.105 0.009) 0.170 19.310 ( 0.015 0.103 0.035) 0.110 19.311 ( -0.021 0.087 -0.030) 0.094 19.466 ( 0.013 0.297 0.208) 0.363 19.471 ( -0.006 0.282 -0.258) 0.382 19.500 ( 0.209 -1.218 0.805) 1.474 19.508 ( -0.149 -0.975 -0.172) 1.001 19.526 ( 0.031 0.020 0.116) 0.122 19.529 ( -0.034 -0.013 -0.070) 0.079 19.531 ( -0.042 -0.141 0.149) 0.210 19.535 ( 0.029 -0.474 -0.160) 0.501 19.630 ( 0.015 1.368 0.309) 1.402 19.642 ( 0.008 1.344 -0.965) 1.655 19.672 ( 0.012 -0.160 0.029) 0.163 19.673 ( -0.003 -0.160 -0.073) 0.176 19.710 ( 0.009 0.058 0.064) 0.087 19.711 ( -0.016 0.028 -0.050) 0.059 19.796 ( 0.028 0.016 0.467) 0.469 19.805 ( -0.008 -0.072 -0.383) 0.389 37.931 ( -0.105 -0.644 0.064) 0.655 37.933 ( 0.230 -0.638 -0.117) 0.689 37.942 ( -0.236 -0.279 0.133) 0.389 37.944 ( 0.218 -0.123 -0.054) 0.256 37.996 ( -0.146 -0.018 0.210) 0.257 37.999 ( 0.030 0.058 -0.066) 0.093 38.016 ( 0.156 -0.647 0.006) 0.665 38.019 ( 0.117 -0.473 -0.294) 0.570 38.061 ( 0.133 0.439 -0.031) 0.460 38.064 ( -0.107 0.390 -0.337) 0.527 38.084 ( 0.161 1.065 0.338) 1.129 38.087 ( 0.076 1.025 0.027) 1.028 38.241 ( 0.053 -0.146 0.082) 0.175 38.244 ( -0.092 -0.091 -0.156) 0.203 38.391 ( 0.046 0.703 0.107) 0.713 38.392 ( 0.076 0.758 0.004) 0.761 60.485 ( 0.295 3.480 4.059) 5.355 60.526 ( -1.297 1.885 1.451) 2.709 60.626 ( 0.638 0.070 -3.120) 3.185 60.630 ( -0.123 -1.419 -1.699) 2.217 60.745 ( 3.239 -0.772 0.304) 3.343 60.774 ( -2.578 -0.791 -2.131) 3.437 60.925 ( -3.851 2.767 2.040) 5.162 60.949 ( 3.110 2.278 0.469) 3.883 61.032 ( 0.800 2.732 -1.371) 3.159 61.058 ( 0.144 1.132 -2.073) 2.366 61.528 ( 4.769 -6.825 9.462) 12.604 61.720 ( -4.301 -8.224 -10.057) 13.685 62.151 ( 5.391 -1.883 4.630) 7.351 62.179 ( -8.600 -1.648 1.809) 8.941 62.867 ( 0.059 13.127 9.870) 16.424 63.179 ( 3.294 10.786 -21.056) 23.887 ======================= Grid point 55 (25/39) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 13.368 6.092 10.205) 17.888 0.891 ( 9.160 9.299 -9.773) 16.306 0.961 ( 6.950 7.172 20.764) 23.041 1.081 ( 6.628 19.905 -9.172) 22.897 1.539 ( 1.386 -0.178 0.472) 1.475 1.565 ( 3.188 -0.862 -0.057) 3.303 1.647 ( 2.145 3.430 0.575) 4.086 1.670 ( 10.701 7.397 2.679) 13.282 1.745 ( -0.402 -5.467 -1.231) 5.618 1.795 ( 1.378 -7.997 4.110) 9.096 1.831 ( 2.736 6.590 -6.534) 9.675 1.955 ( 1.530 -1.228 2.640) 3.289 2.039 ( 0.379 -4.489 -9.450) 10.469 2.074 ( 3.982 3.192 0.246) 5.110 2.153 ( -0.938 -0.731 0.279) 1.222 2.194 ( 1.635 1.922 -3.745) 4.516 2.288 ( -1.259 3.562 -1.346) 4.010 2.375 ( 0.664 2.214 -2.219) 3.204 2.396 ( -3.826 1.862 -0.047) 4.255 2.424 ( -2.147 -1.062 2.201) 3.253 2.474 ( -6.071 -1.050 0.610) 6.191 2.514 ( -6.971 -1.971 1.756) 7.454 2.547 ( -2.829 1.026 -0.693) 3.088 2.584 ( -3.024 1.057 -0.469) 3.238 2.620 ( 2.198 0.853 -2.608) 3.515 2.692 ( -0.264 3.999 2.130) 4.538 2.728 ( 4.946 1.368 0.661) 5.174 2.746 ( 4.755 2.136 0.787) 5.272 2.819 ( 3.597 -0.926 -0.409) 3.737 2.871 ( 5.417 1.359 1.149) 5.702 2.933 ( 3.352 -0.475 0.192) 3.391 2.979 ( 3.819 1.292 -0.671) 4.087 3.154 ( 8.177 -1.010 -0.186) 8.241 3.198 ( 4.045 -1.290 1.687) 4.569 3.214 ( 9.081 -1.274 -1.226) 9.251 3.235 ( 4.991 -0.861 -0.836) 5.133 3.437 ( 6.281 -2.742 1.841) 7.097 3.457 ( 6.377 -5.120 0.925) 8.230 3.633 ( -0.374 -5.173 5.302) 7.417 3.714 ( 1.742 -2.675 -3.832) 4.987 3.787 ( -0.203 6.767 -2.138) 7.099 3.843 ( 1.519 3.267 3.006) 4.693 4.045 ( -2.135 5.534 1.383) 6.090 4.113 ( 0.942 7.782 -1.795) 8.042 4.200 ( 0.892 5.217 2.253) 5.752 4.212 ( -0.264 -0.501 -4.470) 4.505 4.358 ( 1.212 1.536 2.401) 3.097 4.399 ( 1.968 0.939 0.739) 2.302 4.474 ( 4.287 -1.148 -0.674) 4.489 4.479 ( -0.099 1.415 -0.500) 1.505 4.538 ( 2.272 2.632 0.121) 3.480 4.547 ( 2.997 2.853 0.442) 4.161 4.664 ( -0.616 1.965 -1.356) 2.466 4.711 ( -1.770 -0.732 -3.382) 3.887 4.737 ( 3.249 2.622 3.635) 5.536 4.807 ( -0.638 -1.707 -4.081) 4.470 4.859 ( -0.839 2.495 -0.839) 2.763 4.915 ( 0.903 2.831 1.364) 3.269 4.989 ( -2.229 -2.122 1.038) 3.248 5.006 ( 2.785 0.016 1.979) 3.416 5.029 ( 0.339 0.214 -1.013) 1.090 5.056 ( 0.625 -1.419 0.260) 1.572 5.067 ( -0.421 -1.439 0.875) 1.736 5.123 ( 0.765 -1.319 -1.252) 1.972 5.148 ( 0.581 -0.222 -2.363) 2.443 5.197 ( 1.824 -1.555 1.014) 2.603 5.231 ( 0.941 -1.413 2.726) 3.211 5.245 ( -3.868 0.834 2.756) 4.822 5.285 ( 1.165 -2.047 -1.876) 3.011 5.310 ( -1.251 2.378 2.551) 3.705 5.355 ( -0.721 -1.284 -2.064) 2.535 5.381 ( -0.566 -2.911 0.430) 2.997 5.393 ( -0.729 -3.194 -0.974) 3.418 5.411 ( 0.708 -3.042 0.163) 3.127 5.453 ( 0.541 -0.840 -0.357) 1.061 5.472 ( 0.838 0.399 -2.870) 3.017 5.505 ( -1.491 -1.655 -0.329) 2.252 5.548 ( -1.696 -0.840 -0.138) 1.897 5.569 ( -2.056 0.147 -2.043) 2.902 5.613 ( 2.703 0.449 -1.712) 3.231 5.650 ( 3.247 -2.499 1.472) 4.354 5.666 ( 0.512 -0.815 2.774) 2.936 5.694 ( -0.392 1.372 0.280) 1.454 5.702 ( -1.256 0.822 -2.895) 3.262 5.745 ( 2.208 -0.780 2.646) 3.534 5.797 ( 0.959 1.142 0.920) 1.752 5.804 ( 1.037 -1.084 -2.199) 2.662 5.852 ( -1.379 3.331 1.604) 3.946 5.889 ( 1.963 2.059 -0.845) 2.968 5.948 ( 0.172 -0.360 1.381) 1.437 5.995 ( -3.223 2.192 -0.801) 3.980 6.018 ( -0.209 -1.634 -2.835) 3.279 6.057 ( -0.691 -1.227 0.741) 1.591 6.074 ( -3.455 -1.001 1.917) 4.076 6.088 ( -2.309 0.169 -0.385) 2.347 6.135 ( -3.520 -3.711 -1.668) 5.380 6.165 ( -1.366 -5.945 1.666) 6.324 6.196 ( -0.875 2.391 -1.942) 3.202 6.221 ( -1.189 -0.008 2.038) 2.360 6.302 ( 0.686 -0.663 -3.767) 3.886 6.315 ( 0.540 -1.940 -2.136) 2.936 6.378 ( 1.414 -2.432 -1.134) 3.033 6.454 ( 2.664 -0.623 -1.362) 3.056 6.504 ( 1.330 0.028 0.678) 1.493 6.511 ( -0.713 -3.510 1.863) 4.038 6.558 ( -3.028 -2.336 3.685) 5.311 6.593 ( -0.884 0.675 0.586) 1.258 6.627 ( 1.288 0.409 2.808) 3.116 6.663 ( -0.223 1.383 1.251) 1.878 6.680 ( -0.515 -2.125 0.745) 2.310 6.725 ( -0.596 -0.879 1.274) 1.658 6.782 ( -2.537 2.839 -1.968) 4.286 6.845 ( -2.015 4.377 2.250) 5.318 6.865 ( 1.636 5.697 -3.979) 7.139 6.883 ( 0.253 3.113 0.342) 3.142 6.887 ( -2.989 3.514 0.582) 4.650 6.985 ( -0.942 5.290 0.909) 5.450 7.054 ( 1.851 4.532 -0.288) 4.904 7.207 ( 0.654 -0.203 2.822) 2.904 7.266 ( 2.039 -2.341 -2.249) 3.833 7.317 ( -1.663 -0.746 -4.958) 5.282 7.372 ( 1.841 -0.635 3.504) 4.009 7.472 ( -0.331 -1.587 0.954) 1.881 7.515 ( -1.968 -2.599 1.529) 3.601 7.573 ( 3.745 -2.711 -1.531) 4.870 7.665 ( 3.733 -2.658 -0.236) 4.589 7.756 ( -3.873 -5.229 -1.529) 6.684 7.868 ( 1.202 -5.444 -1.327) 5.731 8.163 ( -7.802 -1.605 4.617) 9.207 8.190 ( -9.279 3.900 3.276) 10.585 8.355 ( -9.875 -5.182 0.902) 11.189 8.387 ( -2.478 1.902 -2.771) 4.176 8.527 ( 6.854 2.216 -3.162) 7.867 8.666 ( 0.554 0.342 0.065) 0.655 8.701 ( -4.455 -2.208 -0.867) 5.047 8.714 ( -5.329 0.508 0.025) 5.353 8.920 ( -13.352 -0.157 -1.251) 13.412 8.991 ( -9.190 -1.076 5.503) 10.765 9.659 ( -5.221 -2.804 -0.929) 5.999 9.697 ( -3.637 -1.996 0.145) 4.151 18.325 ( 5.524 -0.387 -0.254) 5.544 18.346 ( 5.949 -0.461 0.405) 5.980 19.039 ( -1.735 -0.008 -0.046) 1.736 19.040 ( -1.668 0.011 0.036) 1.669 19.110 ( 0.170 0.107 -0.022) 0.203 19.112 ( 0.253 0.185 0.021) 0.314 19.122 ( 0.344 -0.213 -0.151) 0.432 19.128 ( 0.546 -0.310 0.279) 0.687 19.232 ( 0.352 -0.133 -0.105) 0.390 19.236 ( 0.426 -0.399 -0.027) 0.584 19.277 ( -0.111 0.075 -0.009) 0.134 19.280 ( -0.098 0.141 0.006) 0.172 19.289 ( 0.139 -0.050 0.064) 0.161 19.294 ( 0.425 -0.137 -0.281) 0.527 19.310 ( -0.064 0.115 -0.022) 0.134 19.310 ( -0.043 0.089 0.028) 0.103 19.469 ( 0.134 0.289 0.223) 0.388 19.470 ( 0.122 0.241 -0.244) 0.364 19.500 ( -0.421 -0.858 -0.442) 1.053 19.505 ( -0.166 -0.917 0.510) 1.062 19.525 ( -0.183 -0.025 -0.018) 0.186 19.527 ( -0.098 -0.008 0.017) 0.099 19.530 ( -0.160 -0.186 0.175) 0.301 19.533 ( -0.092 -0.271 -0.151) 0.323 19.630 ( -0.257 1.317 0.063) 1.343 19.632 ( -0.214 1.341 -0.163) 1.368 19.669 ( -0.284 -0.143 0.004) 0.318 19.671 ( -0.169 -0.143 -0.016) 0.221 19.714 ( 0.323 0.024 0.012) 0.324 19.714 ( 0.320 0.013 -0.005) 0.320 19.795 ( -0.416 0.035 0.299) 0.514 19.797 ( -0.393 0.004 -0.296) 0.492 37.928 ( -0.130 -0.402 -0.037) 0.424 37.935 ( 0.157 -0.724 -0.152) 0.756 37.940 ( -0.084 -0.233 0.072) 0.258 37.949 ( 0.169 -0.144 0.006) 0.222 37.997 ( 0.048 0.020 0.219) 0.225 38.001 ( 0.171 0.069 -0.025) 0.186 38.017 ( 0.074 -0.539 -0.283) 0.613 38.023 ( 0.155 -0.645 -0.217) 0.698 38.058 ( -0.151 0.361 -0.029) 0.392 38.065 ( 0.123 0.511 -0.088) 0.533 38.085 ( -0.139 1.128 -0.178) 1.150 38.089 ( 0.081 0.960 -0.039) 0.964 38.246 ( 0.457 -0.084 -0.059) 0.469 38.249 ( 0.615 -0.106 0.095) 0.631 38.382 ( -0.856 0.747 -0.065) 1.138 38.386 ( -0.659 0.535 -0.023) 0.849 60.510 ( 0.422 2.299 0.103) 2.340 60.548 ( 1.835 2.907 3.031) 4.583 60.646 ( 3.533 -0.159 -1.919) 4.024 60.662 ( 3.028 -1.619 0.550) 3.477 60.759 ( 3.974 1.753 -3.055) 5.310 60.865 ( 4.533 0.065 0.089) 4.534 60.921 ( 5.339 1.422 2.524) 6.074 61.022 ( 0.601 0.346 -1.260) 1.438 61.077 ( 8.068 1.020 0.772) 8.169 61.093 ( 3.886 3.758 -1.724) 5.674 61.484 ( -8.211 -5.236 -5.920) 11.396 61.618 ( -4.274 -2.179 6.341) 7.951 62.015 ( -7.119 -2.556 -0.423) 7.576 62.253 ( -0.124 -4.444 6.118) 7.563 62.702 ( -16.213 15.069 0.049) 22.134 63.016 ( -8.352 6.897 -6.251) 12.506 ======================= Grid point 56 (26/39) ======================= q-point: ( 0.25 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 12.592 6.079 -7.046) 15.657 1.219 ( 9.559 5.983 11.475) 16.089 1.235 ( 15.660 12.927 0.104) 20.306 1.347 ( 14.508 4.278 10.085) 18.180 1.490 ( -1.738 -0.410 -2.924) 3.426 1.612 ( 1.337 1.071 -4.755) 5.054 1.665 ( 3.503 -4.105 0.019) 5.397 1.736 ( 3.134 -1.864 -4.901) 6.109 1.790 ( 1.368 0.805 -0.189) 1.599 1.880 ( 1.872 -3.721 -0.716) 4.226 1.951 ( -2.418 -1.252 1.059) 2.921 1.962 ( 5.725 0.461 -0.352) 5.755 2.012 ( 0.767 -1.775 -0.579) 2.018 2.090 ( -0.080 -1.636 -3.234) 3.625 2.184 ( 2.215 0.498 -4.662) 5.185 2.203 ( -2.065 0.686 0.671) 2.277 2.251 ( -2.246 1.465 0.091) 2.683 2.304 ( -4.674 2.638 -0.521) 5.392 2.316 ( -3.622 0.069 0.140) 3.625 2.373 ( -3.928 0.532 0.257) 3.973 2.397 ( -5.185 -0.718 1.388) 5.416 2.420 ( -0.839 -0.218 2.994) 3.117 2.524 ( -1.821 0.119 0.037) 1.825 2.544 ( 2.635 1.887 -1.995) 3.806 2.704 ( 8.333 6.093 0.418) 10.331 2.732 ( 3.068 3.877 3.593) 6.112 2.844 ( 6.146 0.300 -0.183) 6.156 2.849 ( 5.207 0.443 -0.395) 5.241 2.912 ( 5.691 -0.685 -0.201) 5.736 3.015 ( 6.237 1.353 1.743) 6.616 3.038 ( 6.778 -0.380 1.441) 6.940 3.068 ( 4.468 0.951 1.250) 4.736 3.273 ( 4.333 0.691 -0.735) 4.449 3.307 ( 3.511 1.595 0.424) 3.879 3.335 ( 6.835 0.957 2.203) 7.245 3.385 ( 7.162 -0.405 -3.903) 8.166 3.580 ( 7.491 -4.175 -4.156) 9.530 3.654 ( 7.886 -1.744 1.046) 8.144 3.685 ( 8.461 -1.410 2.302) 8.881 3.762 ( 2.406 -2.014 3.983) 5.071 3.811 ( 5.346 3.115 -4.837) 7.854 3.894 ( 1.195 3.622 4.431) 5.847 4.024 ( -0.951 2.644 2.349) 3.662 4.118 ( 0.467 6.509 -1.222) 6.639 4.176 ( 1.521 -3.466 -4.235) 5.680 4.305 ( 5.639 3.122 4.251) 7.721 4.364 ( -3.156 3.958 2.155) 5.502 4.394 ( 2.299 3.452 -4.267) 5.950 4.497 ( 2.730 0.244 0.679) 2.824 4.574 ( 3.908 2.294 -0.164) 4.535 4.603 ( 4.543 0.073 1.585) 4.812 4.646 ( -0.033 2.651 -1.672) 3.135 4.671 ( 1.242 0.457 -2.685) 2.994 4.679 ( 6.059 1.843 -0.599) 6.362 4.766 ( 0.899 -1.511 -0.814) 1.937 4.783 ( -0.768 -0.119 -2.477) 2.596 4.883 ( 2.261 1.573 2.956) 4.040 4.937 ( -2.435 -0.618 -1.215) 2.791 4.942 ( 0.431 -0.009 0.484) 0.649 4.971 ( -2.377 -4.268 0.160) 4.888 5.042 ( -1.634 -1.808 -0.897) 2.596 5.063 ( -0.103 -0.823 1.171) 1.435 5.074 ( -0.768 -0.066 -3.159) 3.252 5.104 ( -1.456 -1.173 -2.784) 3.354 5.169 ( 2.232 -3.447 2.169) 4.644 5.193 ( -0.731 -0.568 0.655) 1.134 5.228 ( -0.540 0.729 -1.229) 1.528 5.260 ( -1.692 0.316 1.633) 2.373 5.281 ( -1.726 -0.734 3.715) 4.162 5.309 ( -3.415 -0.845 2.187) 4.143 5.317 ( -0.384 -2.962 -0.342) 3.007 5.362 ( -1.099 -1.020 0.866) 1.731 5.367 ( -1.740 -2.250 -2.137) 3.558 5.385 ( 2.118 1.995 -1.054) 3.095 5.435 ( 0.343 0.672 -0.384) 0.846 5.479 ( -2.465 -0.607 -0.769) 2.652 5.497 ( -3.211 -1.978 0.752) 3.846 5.502 ( 0.217 0.221 0.207) 0.372 5.541 ( -0.541 -0.449 0.747) 1.026 5.605 ( -2.252 1.467 -1.126) 2.914 5.635 ( -1.396 1.771 -2.055) 3.051 5.650 ( -2.533 -1.287 0.518) 2.888 5.683 ( -0.020 -0.475 0.689) 0.837 5.718 ( -1.721 1.722 -1.283) 2.752 5.736 ( -5.742 1.379 1.346) 6.057 5.790 ( -0.905 -2.922 1.656) 3.478 5.819 ( -1.973 3.388 0.286) 3.931 5.837 ( -2.384 2.774 0.513) 3.693 5.902 ( 1.641 -1.895 2.233) 3.357 5.927 ( 1.485 1.500 -0.017) 2.111 5.960 ( -4.587 -0.998 -3.142) 5.649 5.970 ( -2.907 -0.253 0.789) 3.023 6.026 ( -0.886 -0.001 -0.211) 0.911 6.031 ( 0.552 -1.346 0.941) 1.733 6.069 ( 0.552 -0.956 -0.626) 1.270 6.100 ( -0.895 -2.679 1.808) 3.353 6.171 ( 1.485 -1.757 1.312) 2.648 6.188 ( -0.099 1.899 -4.967) 5.318 6.209 ( -2.096 0.715 0.819) 2.362 6.256 ( -0.768 -0.094 3.776) 3.854 6.298 ( 0.170 -3.409 -3.857) 5.151 6.408 ( -0.339 1.039 0.694) 1.295 6.437 ( -3.406 -0.586 -0.860) 3.561 6.491 ( -0.968 0.416 -0.018) 1.054 6.535 ( 0.454 -1.114 2.839) 3.083 6.561 ( -1.586 -0.897 -1.665) 2.468 6.572 ( -1.373 -1.395 1.627) 2.545 6.613 ( -0.131 -0.125 -2.092) 2.100 6.639 ( -1.405 -1.097 0.420) 1.831 6.725 ( 2.563 -1.488 0.298) 2.979 6.756 ( 1.681 2.248 0.132) 2.810 6.762 ( 2.984 3.338 1.227) 4.643 6.810 ( -1.377 4.608 0.397) 4.826 6.867 ( 2.832 4.407 1.003) 5.333 6.883 ( -0.527 3.326 2.214) 4.030 6.936 ( 4.254 4.365 -4.141) 7.369 6.954 ( -0.390 3.060 -1.515) 3.437 7.053 ( -1.748 5.209 0.894) 5.567 7.249 ( 0.969 -0.544 2.970) 3.171 7.279 ( -0.504 -3.155 -2.173) 3.864 7.282 ( 1.299 0.440 -1.125) 1.774 7.414 ( -0.091 -0.724 1.034) 1.266 7.454 ( -0.730 -0.474 0.111) 0.878 7.503 ( -1.301 -1.458 2.472) 3.151 7.631 ( 0.901 -2.745 1.474) 3.243 7.659 ( -2.843 -3.752 -4.922) 6.811 7.706 ( -0.060 -2.851 -0.641) 2.923 7.867 ( -0.599 -3.463 -0.730) 3.590 8.000 ( -10.116 0.701 1.656) 10.275 8.040 ( -6.174 -4.858 1.701) 8.038 8.194 ( -7.048 -5.441 1.755) 9.075 8.272 ( -7.073 -0.727 -1.757) 7.324 8.490 ( -10.306 -2.847 1.304) 10.772 8.553 ( -6.436 -0.045 -1.866) 6.701 8.633 ( -7.136 1.088 -0.844) 7.268 8.688 ( -2.390 1.130 -0.062) 2.645 8.715 ( 1.863 1.146 -0.390) 2.222 8.912 ( 1.749 -1.976 0.187) 2.646 9.520 ( -8.051 -1.761 -0.248) 8.245 9.578 ( -8.083 -1.310 0.061) 8.189 18.460 ( 7.878 -0.431 -0.448) 7.903 18.489 ( 7.445 -0.842 0.788) 7.534 18.988 ( -3.467 -0.025 -0.033) 3.467 18.990 ( -3.431 0.012 0.023) 3.431 19.114 ( 0.275 0.112 -0.046) 0.301 19.119 ( 0.356 0.166 0.027) 0.393 19.128 ( 0.292 -0.198 -0.102) 0.367 19.139 ( 0.300 -0.414 0.248) 0.568 19.241 ( 0.402 -0.208 0.109) 0.466 19.243 ( 0.358 -0.356 -0.060) 0.508 19.273 ( -0.201 0.067 -0.108) 0.238 19.279 ( -0.084 0.186 0.252) 0.324 19.291 ( -0.066 -0.298 -0.158) 0.343 19.299 ( 0.174 -0.135 0.113) 0.248 19.309 ( -0.099 0.066 -0.012) 0.119 19.310 ( 0.148 0.025 -0.060) 0.162 19.472 ( 0.267 0.155 -0.203) 0.369 19.474 ( 0.208 0.244 0.179) 0.367 19.488 ( -0.289 -0.379 -0.505) 0.694 19.503 ( -0.271 -0.439 0.305) 0.599 19.520 ( -0.265 -0.059 -0.088) 0.285 19.524 ( -0.206 0.027 -0.002) 0.208 19.528 ( -0.199 -0.199 0.180) 0.334 19.530 ( -0.121 -0.114 -0.097) 0.192 19.626 ( 0.025 0.948 -0.022) 0.949 19.631 ( 0.082 0.989 0.021) 0.993 19.662 ( -0.457 -0.093 -0.011) 0.466 19.666 ( -0.356 -0.013 0.015) 0.356 19.722 ( 0.583 -0.011 -0.073) 0.587 19.723 ( 0.549 -0.033 0.080) 0.556 19.784 ( -0.538 0.024 -0.247) 0.592 19.788 ( -0.591 0.015 0.207) 0.627 37.928 ( 0.189 -0.135 -0.018) 0.233 37.938 ( 0.220 -0.230 -0.199) 0.375 37.940 ( 0.067 -0.185 0.160) 0.253 37.951 ( 0.061 -0.145 -0.041) 0.163 38.000 ( 0.075 0.015 0.136) 0.156 38.004 ( 0.090 0.081 -0.024) 0.123 38.015 ( -0.106 -0.538 -0.150) 0.568 38.021 ( -0.103 -0.462 -0.164) 0.501 38.058 ( -0.024 0.472 0.180) 0.505 38.065 ( -0.098 0.839 -0.140) 0.856 38.081 ( -0.152 0.527 -0.121) 0.561 38.087 ( -0.213 0.652 -0.139) 0.700 38.261 ( 0.975 0.046 0.083) 0.979 38.265 ( 0.925 -0.037 -0.022) 0.926 38.361 ( -1.215 0.433 0.050) 1.291 38.368 ( -1.099 0.376 -0.106) 1.167 60.531 ( 2.147 2.630 -1.314) 3.641 60.601 ( 1.647 1.630 1.181) 2.601 60.728 ( 4.856 -0.329 -0.770) 4.927 60.737 ( 3.294 -1.761 1.885) 4.183 60.861 ( 7.279 3.672 -3.101) 8.722 60.936 ( 3.909 3.606 2.120) 5.725 61.023 ( 1.889 0.027 -1.003) 2.139 61.145 ( 5.767 0.993 1.504) 6.042 61.190 ( 12.659 0.254 -0.250) 12.664 61.270 ( 8.612 -1.875 -7.119) 11.329 61.328 ( 0.792 0.642 -1.021) 1.443 61.571 ( -5.371 3.228 9.185) 11.119 61.868 ( -6.028 -6.357 -3.654) 9.492 62.223 ( -7.421 -8.940 3.783) 12.219 62.385 ( -13.737 12.589 -0.951) 18.658 62.742 ( -15.675 5.459 -1.566) 16.672 ======================= Grid point 57 (27/39) ======================= q-point: ( 0.38 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 14.240 0.632 -1.759) 14.362 1.391 ( 3.260 0.839 -2.035) 3.933 1.491 ( 7.330 3.604 6.235) 10.276 1.565 ( 1.747 1.901 0.256) 2.594 1.607 ( 10.749 4.395 -0.781) 11.639 1.671 ( 8.278 0.972 3.162) 8.915 1.711 ( 3.352 0.233 0.015) 3.360 1.773 ( 0.719 1.792 -2.331) 3.027 1.827 ( 2.149 1.871 1.124) 3.063 1.851 ( -2.853 -3.451 1.533) 4.733 1.931 ( -1.895 -0.756 0.883) 2.223 1.972 ( -1.154 -0.986 -0.887) 1.758 2.009 ( -1.538 0.071 -1.845) 2.403 2.059 ( -0.802 -2.703 -1.428) 3.160 2.127 ( -5.972 -1.893 -0.523) 6.286 2.150 ( 0.847 1.108 -4.332) 4.551 2.156 ( -6.584 1.696 1.481) 6.958 2.222 ( -1.077 0.819 -0.085) 1.356 2.282 ( -3.835 0.064 -1.863) 4.264 2.294 ( 1.869 -0.751 -4.447) 4.882 2.322 ( -4.473 3.931 -0.393) 5.968 2.444 ( -2.173 -4.766 -0.373) 5.251 2.505 ( 1.819 -2.927 4.978) 6.054 2.601 ( 2.335 -0.928 1.258) 2.810 2.839 ( 4.340 3.684 3.043) 6.455 2.904 ( 7.795 5.933 1.105) 9.858 2.935 ( 3.557 2.678 0.168) 4.455 2.949 ( 4.255 -0.783 -0.007) 4.326 3.024 ( 5.150 2.194 -1.428) 5.777 3.087 ( 2.798 0.020 -4.538) 5.331 3.166 ( 3.430 -0.287 3.051) 4.599 3.196 ( 4.510 -0.075 3.650) 5.802 3.329 ( 2.109 2.821 -2.156) 4.129 3.369 ( 1.757 2.281 0.951) 3.032 3.435 ( 1.986 2.090 -3.809) 4.777 3.446 ( 1.762 1.681 2.339) 3.377 3.715 ( 10.086 1.152 -0.540) 10.166 3.790 ( 4.444 2.262 -0.614) 5.024 3.875 ( 8.002 0.196 1.231) 8.098 3.891 ( 4.430 -0.181 3.482) 5.638 3.943 ( 7.396 -1.502 0.801) 7.590 3.952 ( 4.644 4.594 -1.533) 6.710 4.049 ( 1.306 -1.204 -0.517) 1.850 4.118 ( 3.213 2.902 0.654) 4.379 4.199 ( 3.082 -2.367 0.259) 3.894 4.252 ( -7.305 5.048 1.368) 8.984 4.487 ( 3.579 -1.524 -0.331) 3.904 4.501 ( 3.920 -1.690 1.427) 4.501 4.554 ( 6.610 0.455 -3.165) 7.343 4.603 ( -0.479 1.284 -1.621) 2.123 4.637 ( 1.259 0.030 -0.513) 1.360 4.672 ( 0.635 -0.150 0.391) 0.760 4.707 ( 2.424 3.288 1.637) 4.401 4.733 ( 2.862 -0.030 0.489) 2.903 4.776 ( 3.186 -0.417 -3.363) 4.651 4.806 ( 0.696 -1.434 -1.825) 2.423 4.871 ( -0.328 -1.112 -0.066) 1.161 4.897 ( -2.131 -4.845 -1.616) 5.534 4.944 ( -0.693 -1.590 -1.803) 2.502 4.967 ( -0.272 -1.419 1.046) 1.784 4.982 ( -1.221 -2.737 0.733) 3.086 5.012 ( -0.924 1.610 -1.657) 2.488 5.074 ( 0.619 1.311 -1.436) 2.041 5.119 ( -3.260 -2.813 -0.790) 4.378 5.149 ( 2.357 -0.428 0.412) 2.431 5.155 ( -3.277 -2.076 0.868) 3.974 5.178 ( -4.154 0.640 1.051) 4.332 5.191 ( -3.878 1.090 0.150) 4.032 5.261 ( -1.665 -1.077 -0.374) 2.018 5.273 ( -1.847 1.107 2.218) 3.092 5.317 ( -1.375 -1.408 2.311) 3.036 5.321 ( -3.032 0.470 -0.032) 3.068 5.380 ( -1.038 -0.029 -1.281) 1.649 5.397 ( -2.106 2.107 0.318) 2.996 5.413 ( 2.150 -0.410 2.399) 3.248 5.451 ( -0.568 1.408 -0.898) 1.764 5.476 ( 0.053 -0.550 -0.032) 0.553 5.510 ( -4.570 -0.425 1.117) 4.724 5.515 ( -1.693 -0.311 0.155) 1.728 5.551 ( -5.034 -1.379 -1.753) 5.506 5.565 ( -2.446 1.091 0.734) 2.777 5.581 ( -1.573 2.065 -0.672) 2.682 5.627 ( -0.667 0.998 -0.399) 1.265 5.654 ( -0.212 -0.318 0.369) 0.532 5.692 ( -0.751 0.359 0.671) 1.069 5.762 ( -1.655 2.730 1.260) 3.432 5.799 ( -3.357 1.060 -0.130) 3.522 5.822 ( 0.252 -1.987 5.051) 5.434 5.843 ( -4.687 -0.131 -1.278) 4.860 5.890 ( -2.727 0.784 -0.310) 2.854 5.910 ( -2.362 -2.412 0.170) 3.381 5.974 ( 1.644 1.892 -2.158) 3.308 6.021 ( -1.535 -2.525 1.198) 3.189 6.034 ( 3.073 1.465 1.004) 3.549 6.095 ( 0.693 0.523 0.227) 0.898 6.137 ( 0.934 -1.706 -0.065) 1.946 6.150 ( 1.586 -0.044 -1.526) 2.201 6.162 ( 1.043 3.184 -3.615) 4.929 6.228 ( 1.626 6.033 -0.609) 6.278 6.249 ( -2.105 -3.117 -1.858) 4.195 6.311 ( -2.006 -1.420 0.248) 2.470 6.331 ( -1.249 1.214 3.077) 3.536 6.404 ( -3.400 2.568 0.198) 4.265 6.468 ( -4.081 -2.889 -1.954) 5.368 6.477 ( 0.740 1.782 1.130) 2.236 6.529 ( -3.171 1.195 2.683) 4.322 6.557 ( -0.209 2.319 1.332) 2.683 6.617 ( 0.774 -2.093 0.754) 2.355 6.669 ( 1.808 -2.350 0.742) 3.057 6.766 ( 0.358 2.722 0.129) 2.748 6.784 ( 0.648 1.087 -1.851) 2.242 6.793 ( 0.279 4.618 -0.476) 4.650 6.856 ( 3.711 3.178 -0.561) 4.918 6.868 ( 2.410 2.678 -3.060) 4.726 6.933 ( -2.459 2.250 1.586) 3.691 6.972 ( 6.107 0.317 1.033) 6.202 7.005 ( 4.253 6.275 -3.780) 8.471 7.079 ( 4.192 1.764 1.788) 4.886 7.221 ( -2.001 -4.419 -1.456) 5.065 7.272 ( -1.716 -0.415 2.265) 2.872 7.319 ( 1.594 2.532 0.383) 3.016 7.382 ( -2.974 2.548 1.500) 4.194 7.462 ( -0.047 1.218 0.217) 1.238 7.481 ( -0.982 0.194 0.539) 1.137 7.567 ( -1.902 -2.587 -5.643) 6.492 7.629 ( -2.992 1.171 2.159) 3.871 7.675 ( -1.604 -5.699 2.096) 6.280 7.794 ( -7.084 -0.999 0.684) 7.187 7.873 ( -2.209 -3.333 1.211) 4.178 7.977 ( -1.313 -8.482 -1.134) 8.658 8.090 ( -5.364 -6.938 1.951) 8.984 8.121 ( -4.504 -2.955 -2.765) 6.055 8.334 ( -5.215 -4.243 -0.193) 6.726 8.426 ( -5.501 -1.248 -1.223) 5.772 8.491 ( -4.309 -1.772 -0.015) 4.659 8.555 ( -5.118 -3.540 -0.170) 6.226 8.902 ( 10.551 1.217 0.686) 10.643 9.011 ( 7.357 -0.091 -0.641) 7.386 9.339 ( -9.972 -1.316 -0.052) 10.058 9.392 ( -10.237 -0.319 0.001) 10.242 18.620 ( 8.189 -0.199 -0.207) 8.194 18.643 ( 7.473 -0.524 0.302) 7.498 18.900 ( -5.343 -0.075 -0.036) 5.344 18.904 ( -5.225 -0.009 0.032) 5.225 19.119 ( 0.230 0.096 0.047) 0.254 19.125 ( 0.231 0.137 -0.088) 0.282 19.133 ( 0.198 -0.136 0.083) 0.254 19.143 ( 0.049 -0.290 -0.028) 0.295 19.247 ( 0.173 -0.239 0.082) 0.307 19.249 ( 0.252 -0.424 -0.057) 0.497 19.269 ( -0.127 0.080 -0.011) 0.150 19.280 ( -0.054 0.467 0.000) 0.470 19.285 ( -0.243 -0.379 -0.034) 0.452 19.300 ( -0.147 -0.058 -0.098) 0.186 19.309 ( 0.021 -0.098 0.362) 0.376 19.313 ( 0.166 -0.117 -0.069) 0.214 19.477 ( 0.283 0.068 -0.141) 0.324 19.479 ( 0.191 0.209 0.068) 0.291 19.484 ( 0.073 -0.118 -0.130) 0.190 19.499 ( -0.311 -0.164 0.093) 0.364 19.515 ( -0.213 -0.015 -0.044) 0.217 19.519 ( -0.223 0.067 -0.125) 0.264 19.525 ( -0.144 -0.207 0.171) 0.305 19.527 ( -0.085 -0.109 -0.039) 0.143 19.630 ( 0.322 0.545 0.005) 0.633 19.636 ( 0.309 0.650 -0.005) 0.720 19.652 ( -0.476 0.039 -0.012) 0.478 19.658 ( -0.472 0.154 0.015) 0.497 19.735 ( 0.647 -0.032 -0.055) 0.650 19.735 ( 0.587 -0.029 0.055) 0.590 19.772 ( -0.469 -0.025 -0.143) 0.491 19.776 ( -0.682 -0.048 0.126) 0.695 37.935 ( 0.475 0.169 0.020) 0.505 37.941 ( 0.276 0.304 -0.127) 0.430 37.944 ( 0.126 -0.091 0.144) 0.212 37.951 ( -0.049 0.049 -0.061) 0.092 38.002 ( 0.081 -0.078 0.045) 0.122 38.005 ( 0.067 -0.080 -0.041) 0.112 38.011 ( -0.195 -0.379 0.037) 0.427 38.016 ( -0.273 -0.413 -0.059) 0.498 38.058 ( -0.099 0.597 0.053) 0.607 38.062 ( -0.106 0.770 -0.050) 0.779 38.077 ( -0.188 0.113 -0.074) 0.231 38.080 ( -0.279 0.258 -0.018) 0.380 38.284 ( 1.095 0.096 -0.029) 1.100 38.286 ( 1.305 0.123 0.075) 1.313 38.335 ( -1.325 0.224 -0.082) 1.347 38.343 ( -1.321 0.300 0.048) 1.356 60.569 ( 2.229 2.460 -0.762) 3.406 60.631 ( 0.879 2.722 -0.337) 2.880 60.783 ( 2.001 -2.607 -0.627) 3.346 60.821 ( 2.762 -1.326 0.456) 3.097 60.963 ( 4.479 5.031 -1.887) 6.995 61.024 ( 1.047 5.588 2.097) 6.059 61.076 ( 4.717 1.180 1.179) 5.004 61.259 ( 6.590 -0.645 -1.481) 6.785 61.264 ( 2.365 -0.585 -2.573) 3.544 61.465 ( 5.236 -2.160 2.625) 6.243 61.494 ( 6.335 -0.604 1.012) 6.444 61.616 ( 11.582 2.600 2.462) 12.122 61.755 ( -1.844 -5.568 -1.950) 6.181 62.031 ( -9.766 -2.101 -1.892) 10.167 62.142 ( -12.193 1.740 1.267) 12.382 62.396 ( -17.973 3.554 -0.072) 18.321 ======================= Grid point 58 (28/39) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -2.796 -2.180 -0.050) 3.546 1.431 ( 2.585 -2.376 -1.555) 3.840 1.576 ( 0.875 2.772 3.133) 4.274 1.616 ( -2.291 -1.018 -0.393) 2.538 1.704 ( -1.015 -0.256 1.218) 1.606 1.736 ( 1.144 -2.564 -0.310) 2.824 1.738 ( 0.656 2.307 -1.473) 2.815 1.768 ( -1.352 1.887 -1.155) 2.593 1.871 ( -3.486 2.539 4.080) 5.936 1.902 ( -2.467 1.021 -0.207) 2.678 1.918 ( 6.736 5.447 1.477) 8.788 1.947 ( 0.934 1.536 2.821) 3.345 1.961 ( -0.879 0.868 -1.830) 2.208 2.000 ( -0.713 0.583 3.310) 3.436 2.071 ( 1.748 -0.201 -3.801) 4.188 2.084 ( -0.826 0.908 -3.885) 4.074 2.178 ( 1.150 -2.394 0.825) 2.781 2.207 ( 1.059 0.241 0.059) 1.087 2.230 ( -3.521 2.473 -1.236) 4.477 2.237 ( 3.139 3.015 -1.791) 4.706 2.318 ( -3.282 -3.960 -1.982) 5.512 2.364 ( 3.256 -1.865 -4.870) 6.148 2.594 ( 0.658 -5.143 5.113) 7.282 2.629 ( -1.654 -3.600 2.865) 4.890 2.897 ( -0.338 1.707 2.452) 3.007 2.963 ( 0.021 2.764 -0.426) 2.796 2.996 ( -0.093 -0.825 0.808) 1.159 3.030 ( 2.574 4.070 1.317) 4.992 3.065 ( 0.648 2.744 -3.631) 4.597 3.073 ( -0.961 3.430 -3.506) 4.998 3.221 ( -1.021 -1.626 3.390) 3.896 3.253 ( 0.202 -1.977 0.435) 2.034 3.337 ( 0.263 4.274 -0.843) 4.364 3.360 ( -1.499 4.611 -1.938) 5.221 3.450 ( -0.972 1.575 1.278) 2.249 3.465 ( 1.298 1.981 -0.739) 2.481 3.836 ( -2.090 0.806 2.156) 3.109 3.873 ( 1.625 3.882 -0.813) 4.287 3.903 ( -3.806 5.026 2.899) 6.939 3.952 ( 1.452 3.232 -0.147) 3.546 4.032 ( 1.289 -1.055 1.249) 2.082 4.063 ( -0.086 3.261 0.962) 3.402 4.072 ( 3.618 2.153 0.759) 4.278 4.130 ( 1.289 0.136 -2.639) 2.940 4.286 ( -8.261 -2.165 -0.537) 8.557 4.306 ( 4.814 -2.397 -1.665) 5.630 4.361 ( 4.965 -1.901 0.882) 5.390 4.384 ( -5.114 -0.212 -0.759) 5.174 4.603 ( 0.300 -1.189 0.125) 1.233 4.633 ( -1.205 -1.963 -2.370) 3.305 4.702 ( 1.055 -1.545 2.866) 3.423 4.707 ( 1.218 -2.228 1.533) 2.966 4.763 ( 0.524 -3.685 -1.666) 4.078 4.783 ( -3.224 -3.162 -2.180) 5.015 4.816 ( -2.262 -0.816 -0.472) 2.450 4.827 ( 2.228 -2.536 -2.158) 4.007 4.879 ( 0.525 -1.351 0.654) 1.590 4.884 ( 2.719 -0.033 -0.066) 2.720 4.906 ( 0.833 -0.760 -0.192) 1.144 4.944 ( -0.593 0.145 -3.166) 3.224 4.983 ( -2.440 1.029 3.295) 4.227 5.020 ( 0.150 0.162 2.398) 2.408 5.062 ( -0.228 1.343 -2.940) 3.240 5.079 ( -0.642 0.185 -2.908) 2.984 5.107 ( 2.586 1.333 -0.668) 2.985 5.122 ( 1.216 0.540 -0.949) 1.635 5.145 ( 0.989 -0.290 1.497) 1.817 5.171 ( -2.684 2.210 -0.877) 3.585 5.240 ( -0.236 1.231 2.274) 2.596 5.261 ( -1.872 -0.021 1.629) 2.482 5.281 ( 1.318 -1.083 0.635) 1.821 5.285 ( -0.757 1.308 0.726) 1.677 5.330 ( 2.398 -0.312 2.617) 3.564 5.389 ( -2.691 0.388 -1.213) 2.977 5.407 ( -0.588 -0.537 -0.808) 1.134 5.425 ( -0.368 0.420 -0.827) 0.998 5.449 ( 0.148 -1.288 -0.530) 1.401 5.454 ( -0.390 0.885 0.365) 1.034 5.502 ( 1.662 -1.424 1.162) 2.478 5.518 ( 0.096 1.485 -0.226) 1.505 5.574 ( 1.059 4.158 0.857) 4.375 5.598 ( -1.401 3.575 -0.432) 3.864 5.638 ( -2.958 -1.112 -0.048) 3.161 5.651 ( 2.787 -3.845 -0.761) 4.810 5.701 ( 1.396 -1.346 1.633) 2.535 5.730 ( 0.381 -1.108 -0.617) 1.324 5.743 ( -0.831 -0.048 3.450) 3.549 5.815 ( 0.980 0.892 -3.578) 3.815 5.853 ( -0.837 0.633 4.561) 4.681 5.890 ( 0.349 -0.554 2.435) 2.521 5.905 ( 1.542 2.686 2.711) 4.116 5.943 ( -2.553 -3.427 1.327) 4.475 6.021 ( 4.295 0.028 -6.450) 7.749 6.048 ( -2.555 2.967 -4.282) 5.802 6.101 ( -0.356 2.399 -1.060) 2.647 6.123 ( -0.085 1.017 -3.477) 3.623 6.142 ( -0.551 -0.862 0.148) 1.033 6.158 ( -1.183 0.383 -1.001) 1.597 6.220 ( 2.350 1.737 3.343) 4.441 6.280 ( -1.015 -0.324 -1.178) 1.588 6.303 ( -0.141 1.743 0.626) 1.857 6.320 ( 0.422 0.891 -0.696) 1.207 6.378 ( 4.306 1.962 2.858) 5.528 6.415 ( -5.777 -0.702 0.481) 5.839 6.437 ( -1.053 0.843 3.334) 3.597 6.527 ( 2.467 5.170 -5.052) 7.638 6.600 ( 1.861 0.551 4.695) 5.081 6.643 ( 0.956 0.333 1.489) 1.801 6.707 ( 1.102 -1.953 2.018) 3.016 6.747 ( -2.429 3.912 -0.922) 4.696 6.759 ( -0.634 3.329 -0.274) 3.399 6.769 ( -1.233 1.624 -3.427) 3.988 6.855 ( -3.494 2.106 3.539) 5.401 6.918 ( 0.995 0.509 0.659) 1.298 6.932 ( 0.913 3.487 -3.800) 5.238 6.972 ( -1.335 -0.313 -4.552) 4.754 7.137 ( 4.685 2.286 3.364) 6.204 7.153 ( -2.206 1.268 1.843) 3.142 7.198 ( -0.637 -0.662 -1.151) 1.472 7.234 ( 2.749 0.555 -3.640) 4.595 7.309 ( -1.725 1.137 3.227) 3.832 7.361 ( -0.453 4.269 -0.881) 4.382 7.445 ( -0.876 3.219 0.449) 3.366 7.480 ( 1.587 0.468 -2.419) 2.931 7.546 ( -3.330 0.710 1.860) 3.880 7.570 ( 2.821 -1.797 -0.981) 3.486 7.696 ( 0.535 -5.084 3.225) 6.044 7.724 ( -0.312 -3.970 2.267) 4.582 7.862 ( 0.464 -4.585 1.058) 4.729 7.932 ( -0.921 -5.398 -3.867) 6.704 8.038 ( -0.612 -8.340 1.681) 8.530 8.076 ( 1.082 -6.254 -1.887) 6.622 8.283 ( -0.773 -2.708 1.311) 3.106 8.335 ( 0.010 -1.666 -3.520) 3.894 8.469 ( -0.113 -4.391 1.915) 4.792 8.499 ( 0.562 -5.034 -1.061) 5.175 9.119 ( 9.385 0.476 0.076) 9.398 9.121 ( -8.303 0.658 -0.047) 8.329 9.170 ( -2.936 -0.247 1.814) 3.460 9.210 ( 1.899 -0.889 -1.806) 2.767 18.773 ( 3.906 -0.086 -0.012) 3.907 18.774 ( -3.162 -0.087 -0.110) 3.165 18.785 ( -4.815 -0.147 0.207) 4.822 18.788 ( 4.058 -0.238 -0.065) 4.066 19.123 ( 0.026 0.080 0.131) 0.156 19.126 ( -0.019 0.129 -0.161) 0.207 19.137 ( 0.078 -0.158 0.235) 0.294 19.142 ( -0.101 -0.177 -0.210) 0.293 19.250 ( -0.009 -0.289 0.092) 0.304 19.252 ( 0.009 -0.438 -0.084) 0.446 19.269 ( 0.115 0.095 0.155) 0.215 19.274 ( -0.214 0.136 -0.298) 0.391 19.288 ( 0.244 0.055 0.327) 0.412 19.294 ( -0.195 0.053 -0.337) 0.393 19.312 ( -0.038 -0.148 0.313) 0.348 19.315 ( 0.098 -0.231 -0.069) 0.260 19.480 ( -0.047 0.100 0.009) 0.111 19.481 ( 0.068 0.108 -0.122) 0.177 19.489 ( 0.322 -0.117 0.200) 0.397 19.492 ( -0.308 -0.067 -0.133) 0.342 19.512 ( -0.076 0.139 0.085) 0.180 19.515 ( 0.041 0.039 -0.205) 0.212 19.525 ( -0.023 -0.191 0.117) 0.225 19.526 ( 0.037 -0.156 -0.020) 0.162 19.637 ( -0.069 0.328 0.023) 0.336 19.638 ( 0.067 0.345 -0.026) 0.352 19.648 ( 0.096 0.295 0.030) 0.312 19.649 ( -0.093 0.272 -0.024) 0.288 19.742 ( -0.102 0.008 0.065) 0.121 19.744 ( 0.120 -0.023 -0.086) 0.150 19.766 ( -0.211 -0.066 0.078) 0.234 19.768 ( 0.193 -0.105 -0.066) 0.230 37.943 ( 0.054 0.226 0.055) 0.238 37.944 ( -0.147 0.220 -0.002) 0.265 37.946 ( 0.222 0.319 0.010) 0.388 37.947 ( -0.095 0.269 -0.085) 0.298 38.004 ( -0.004 -0.210 0.047) 0.215 38.005 ( -0.034 -0.279 0.003) 0.281 38.010 ( 0.013 -0.240 0.001) 0.240 38.011 ( 0.053 -0.374 -0.050) 0.381 38.057 ( -0.029 0.559 0.089) 0.567 38.059 ( 0.018 0.628 -0.130) 0.642 38.075 ( 0.089 0.063 0.058) 0.124 38.077 ( -0.065 0.110 -0.045) 0.135 38.303 ( 0.033 0.200 0.062) 0.212 38.306 ( -0.077 0.308 -0.139) 0.347 38.317 ( -0.205 0.066 0.133) 0.253 38.319 ( 0.244 0.171 -0.053) 0.303 60.602 ( 1.003 2.745 0.427) 2.953 60.621 ( -1.165 2.929 -1.400) 3.449 60.811 ( 0.108 -2.102 0.827) 2.262 60.836 ( -0.289 -2.377 -1.401) 2.774 61.013 ( 1.153 5.256 -0.183) 5.384 61.019 ( -0.991 5.311 -0.567) 5.432 61.177 ( 1.427 1.042 5.132) 5.427 61.270 ( -1.879 -0.421 -3.457) 3.957 61.366 ( 3.350 -0.670 2.468) 4.215 61.419 ( -2.589 1.185 -2.410) 3.730 61.664 ( 2.732 -6.804 1.730) 7.533 61.704 ( -1.120 -5.729 -1.850) 6.123 61.863 ( -3.514 2.993 1.218) 4.774 61.910 ( 3.594 3.656 -2.561) 5.731 62.003 ( -7.255 -0.134 5.611) 9.172 62.102 ( 5.445 -0.019 -3.750) 6.612 ======================= Grid point 60 (29/39) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -13.554 1.296 -0.447) 13.623 1.362 ( -7.934 -0.184 0.433) 7.948 1.508 ( -12.864 4.979 3.751) 14.294 1.525 ( -1.062 1.371 2.610) 3.134 1.593 ( -6.874 0.492 0.585) 6.917 1.710 ( -4.591 -0.910 -0.766) 4.743 1.732 ( -0.914 0.507 -0.604) 1.207 1.780 ( 0.484 3.360 -1.584) 3.746 1.845 ( -3.571 0.874 0.745) 3.752 1.881 ( -2.904 0.416 1.261) 3.194 1.908 ( 4.640 0.684 -1.734) 5.000 1.957 ( -2.321 -1.524 0.657) 2.854 2.017 ( 2.919 -0.134 -1.257) 3.181 2.049 ( -2.022 -1.226 -1.131) 2.621 2.085 ( 5.035 -0.761 0.707) 5.141 2.156 ( -0.796 -0.844 -4.246) 4.402 2.161 ( 6.992 -0.544 2.049) 7.307 2.217 ( 1.091 1.921 -0.642) 2.300 2.256 ( 4.141 0.581 -1.300) 4.379 2.287 ( 5.410 0.915 -0.720) 5.534 2.318 ( 4.034 4.809 -0.028) 6.277 2.443 ( 4.552 -2.139 -1.630) 5.287 2.571 ( -4.281 -5.254 1.382) 6.916 2.576 ( -5.214 -1.038 2.180) 5.745 2.885 ( -3.031 1.521 1.627) 3.762 2.916 ( -3.920 2.711 -0.750) 4.825 2.955 ( -4.510 -0.885 1.690) 4.897 2.979 ( -5.124 2.045 -2.556) 6.080 3.000 ( -4.082 1.036 -3.904) 5.743 3.049 ( -1.706 3.922 0.230) 4.283 3.180 ( -4.573 -1.661 2.565) 5.500 3.223 ( -3.605 -0.733 0.756) 3.756 3.308 ( -2.422 3.448 -0.590) 4.255 3.334 ( -1.401 3.815 2.196) 4.619 3.405 ( -3.643 0.901 0.011) 3.753 3.479 ( -0.254 2.131 -1.146) 2.433 3.704 ( -11.958 1.609 0.132) 12.067 3.771 ( -4.528 4.293 1.623) 6.447 3.855 ( -8.622 -0.308 1.071) 8.694 3.925 ( -9.476 2.573 0.984) 9.869 3.946 ( -4.194 -1.258 -0.967) 4.484 4.013 ( -1.285 2.709 -3.103) 4.315 4.031 ( -7.519 -3.753 0.412) 8.413 4.122 ( -1.028 2.469 0.877) 2.815 4.181 ( 0.664 1.346 0.685) 1.649 4.315 ( 9.106 2.635 -1.469) 9.593 4.454 ( -11.557 -1.193 0.900) 11.653 4.505 ( 2.540 0.532 1.328) 2.915 4.521 ( -1.321 -1.671 -0.143) 2.135 4.571 ( -2.133 -1.372 -0.258) 2.549 4.644 ( -5.047 1.730 -0.818) 5.398 4.675 ( -0.947 -1.174 1.073) 1.851 4.704 ( -2.013 0.032 0.837) 2.180 4.745 ( -0.913 -1.485 -0.251) 1.761 4.755 ( -5.144 2.369 -1.694) 5.911 4.792 ( -0.471 -0.453 -2.262) 2.354 4.874 ( -0.170 -1.602 -1.373) 2.117 4.891 ( 0.414 -1.906 -0.513) 2.017 4.932 ( 0.494 -1.008 0.036) 1.124 4.956 ( 1.481 -2.955 1.079) 3.477 4.999 ( -0.221 -1.544 0.229) 1.577 5.034 ( 4.886 -0.531 0.768) 4.975 5.038 ( 0.113 1.874 -1.963) 2.717 5.071 ( -1.462 -1.045 1.628) 2.425 5.147 ( 4.408 0.796 -0.275) 4.487 5.168 ( 2.386 0.376 -0.945) 2.594 5.196 ( 3.523 -1.435 0.223) 3.810 5.228 ( 0.305 -2.234 -1.470) 2.692 5.253 ( -0.541 0.079 0.955) 1.100 5.287 ( 3.232 -2.132 0.086) 3.873 5.314 ( 1.549 -0.614 1.754) 2.419 5.332 ( 2.589 4.520 0.662) 5.251 5.378 ( -1.400 -0.137 2.396) 2.779 5.388 ( 1.610 2.891 -1.534) 3.647 5.403 ( 4.369 -1.227 1.218) 4.699 5.448 ( -0.657 -1.119 -0.146) 1.306 5.463 ( -0.466 0.983 -0.200) 1.106 5.506 ( 5.251 0.163 0.827) 5.319 5.528 ( 4.793 1.909 -0.304) 5.168 5.551 ( -1.083 0.167 0.011) 1.096 5.557 ( 2.437 1.366 -0.142) 2.797 5.594 ( -0.025 0.832 -0.095) 0.838 5.644 ( 4.540 -0.174 -0.515) 4.572 5.654 ( 0.561 -1.733 -0.615) 1.923 5.735 ( 1.771 1.325 -0.842) 2.366 5.776 ( 1.441 -0.112 1.041) 1.781 5.809 ( 0.388 -1.183 -0.217) 1.264 5.813 ( 1.964 0.564 -1.493) 2.531 5.846 ( 3.507 1.019 1.171) 3.835 5.915 ( 3.436 -0.636 0.968) 3.626 5.948 ( 0.480 -0.454 -4.529) 4.577 5.962 ( 0.258 -2.096 0.753) 2.242 6.008 ( 0.992 0.998 3.387) 3.667 6.057 ( -0.513 -1.517 -0.745) 1.766 6.065 ( -0.737 3.064 -0.030) 3.151 6.105 ( -0.856 0.174 0.062) 0.876 6.114 ( -1.338 -1.700 -0.582) 2.240 6.153 ( 1.764 1.008 -0.917) 2.229 6.231 ( -1.648 -2.385 1.285) 3.171 6.267 ( -2.366 2.049 -1.949) 3.687 6.275 ( 1.330 1.016 -0.096) 1.676 6.373 ( 4.784 0.671 3.471) 5.949 6.411 ( 3.959 0.388 0.635) 4.028 6.445 ( 0.824 -1.453 -2.160) 2.730 6.467 ( 0.611 3.477 -0.002) 3.530 6.563 ( 2.502 1.083 0.109) 2.729 6.637 ( -0.650 1.620 -3.585) 3.987 6.648 ( 0.740 0.132 -0.486) 0.895 6.691 ( -2.795 -2.491 -2.585) 4.550 6.710 ( -1.277 4.562 2.716) 5.461 6.747 ( -0.372 -0.082 1.662) 1.705 6.771 ( 1.900 5.136 3.740) 6.632 6.810 ( -5.289 0.700 0.525) 5.361 6.830 ( -3.207 4.257 2.507) 5.890 6.898 ( -3.978 2.631 -1.308) 4.945 6.937 ( -2.735 0.582 1.445) 3.148 7.045 ( -4.564 4.393 -2.278) 6.732 7.134 ( 0.159 1.518 -1.884) 2.425 7.252 ( 0.744 -2.223 -3.804) 4.468 7.279 ( -0.419 2.926 3.917) 4.907 7.312 ( 2.268 0.692 -0.761) 2.490 7.391 ( 1.531 0.525 2.360) 2.862 7.435 ( -0.278 1.428 0.950) 1.737 7.491 ( -1.071 -0.237 0.920) 1.432 7.520 ( 3.984 -2.519 -2.854) 5.510 7.669 ( 4.075 -1.753 -0.617) 4.479 7.724 ( 1.365 -3.603 -2.179) 4.426 7.776 ( 4.022 -1.114 2.051) 4.650 7.915 ( 2.587 -5.819 3.662) 7.346 7.921 ( 2.257 -4.612 -2.436) 5.683 8.074 ( 3.560 -4.545 1.339) 5.926 8.134 ( 6.131 -6.691 -1.991) 9.291 8.310 ( 3.639 -3.613 1.182) 5.262 8.413 ( 8.170 0.322 -0.466) 8.190 8.496 ( 2.852 -3.917 -0.214) 4.850 8.562 ( 5.371 -2.633 -0.624) 6.014 8.926 ( -9.254 0.218 -0.781) 9.290 8.986 ( -8.836 0.980 0.908) 8.937 9.341 ( 10.374 -1.275 -0.154) 10.453 9.393 ( 10.097 -0.416 -0.081) 10.106 18.620 ( -8.194 -0.185 -0.200) 8.198 18.643 ( -7.422 -0.561 0.264) 7.448 18.899 ( 5.383 -0.030 0.017) 5.383 18.905 ( 5.182 -0.051 -0.017) 5.182 19.121 ( -0.278 0.100 -0.041) 0.299 19.123 ( -0.180 0.118 0.023) 0.216 19.135 ( -0.270 -0.171 -0.138) 0.348 19.140 ( 0.001 -0.233 0.198) 0.305 19.248 ( -0.235 -0.314 0.084) 0.401 19.249 ( -0.172 -0.359 -0.076) 0.405 19.270 ( 0.037 0.079 -0.143) 0.168 19.275 ( 0.260 0.179 0.259) 0.408 19.289 ( -0.039 -0.074 -0.248) 0.262 19.297 ( 0.354 0.044 0.193) 0.406 19.312 ( -0.112 -0.059 0.122) 0.176 19.316 ( 0.000 -0.394 -0.176) 0.431 19.475 ( -0.297 0.152 -0.016) 0.334 19.480 ( -0.100 0.134 -0.006) 0.168 19.485 ( -0.217 -0.021 -0.326) 0.392 19.497 ( 0.307 -0.291 0.278) 0.506 19.513 ( 0.170 0.153 0.009) 0.229 19.518 ( 0.279 0.048 -0.014) 0.284 19.526 ( 0.076 -0.158 0.053) 0.183 19.528 ( 0.150 -0.193 -0.051) 0.250 19.630 ( -0.310 0.551 0.005) 0.632 19.636 ( -0.316 0.644 -0.007) 0.717 19.652 ( 0.467 0.040 -0.008) 0.469 19.658 ( 0.483 0.152 0.008) 0.507 19.733 ( -0.627 -0.003 0.022) 0.627 19.737 ( -0.609 -0.065 -0.026) 0.613 19.771 ( 0.457 0.040 0.006) 0.459 19.778 ( 0.689 -0.100 -0.009) 0.696 37.936 ( -0.437 0.184 -0.051) 0.477 37.939 ( -0.304 0.156 0.023) 0.343 37.947 ( -0.058 0.085 -0.046) 0.113 37.949 ( 0.015 0.043 0.005) 0.046 38.002 ( -0.094 -0.122 0.055) 0.163 38.004 ( -0.099 -0.088 -0.001) 0.133 38.013 ( 0.280 -0.395 -0.055) 0.487 38.017 ( 0.323 -0.336 -0.087) 0.474 38.057 ( 0.007 0.560 0.087) 0.567 38.063 ( 0.315 0.864 -0.106) 0.926 38.076 ( 0.038 0.031 -0.004) 0.049 38.081 ( 0.310 0.296 -0.044) 0.431 38.282 ( -1.091 0.204 0.070) 1.112 38.288 ( -1.318 0.050 -0.044) 1.320 38.333 ( 1.347 0.331 0.058) 1.388 38.345 ( 1.304 0.158 -0.069) 1.315 60.570 ( -2.725 2.257 -0.972) 3.670 60.612 ( -0.794 3.310 1.007) 3.550 60.771 ( -3.110 -2.631 0.279) 4.083 60.822 ( -1.683 -1.124 0.004) 2.024 60.956 ( -4.225 3.878 -0.779) 5.787 61.033 ( -0.120 5.258 0.420) 5.276 61.149 ( -5.859 1.998 -4.436) 7.616 61.183 ( -4.218 0.550 4.864) 6.461 61.282 ( -5.713 -0.080 -3.820) 6.873 61.478 ( -2.304 -1.672 2.931) 4.086 61.501 ( -9.243 -0.787 -0.233) 9.279 61.633 ( -11.560 -0.203 1.909) 11.718 61.765 ( 4.189 -4.905 -3.765) 7.469 61.954 ( 6.038 -2.420 3.809) 7.538 62.145 ( 13.587 4.173 0.422) 14.220 62.429 ( 18.975 1.913 -1.819) 19.157 ======================= Grid point 61 (30/39) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -16.862 6.775 1.406) 18.227 1.145 ( -17.931 11.919 5.780) 22.293 1.370 ( -3.184 1.233 7.457) 8.202 1.423 ( -7.924 2.613 -4.069) 9.283 1.501 ( -3.581 3.499 3.258) 5.973 1.600 ( -7.309 1.406 -9.064) 11.728 1.651 ( -11.658 8.269 -1.087) 14.334 1.654 ( -5.453 -3.063 0.272) 6.260 1.778 ( -2.581 -1.229 1.150) 3.081 1.859 ( 0.592 -2.387 1.256) 2.762 1.903 ( -2.772 -2.065 1.313) 3.697 1.968 ( -5.260 0.464 3.820) 6.517 2.001 ( 2.401 -3.660 -2.170) 4.886 2.056 ( 5.974 -0.444 -1.729) 6.235 2.161 ( 3.486 -0.020 -0.668) 3.549 2.209 ( 4.013 0.087 -1.313) 4.223 2.278 ( 2.703 1.384 1.013) 3.201 2.302 ( 6.393 0.359 0.176) 6.406 2.317 ( 2.931 1.346 -2.162) 3.883 2.384 ( 2.786 -0.099 0.109) 2.790 2.411 ( 6.683 1.303 -0.603) 6.836 2.469 ( -0.440 -2.774 -0.287) 2.823 2.518 ( 0.036 1.949 0.585) 2.036 2.540 ( 1.681 -1.110 -0.924) 2.217 2.765 ( -8.531 6.321 -3.550) 11.195 2.811 ( -4.018 0.085 -0.805) 4.098 2.860 ( -5.092 1.048 -2.011) 5.574 2.861 ( -5.673 1.000 -1.211) 5.886 2.886 ( -4.728 -4.445 0.436) 6.504 2.985 ( -4.712 2.110 0.585) 5.195 3.098 ( -4.544 0.122 0.351) 4.560 3.121 ( -6.866 1.153 -0.593) 6.987 3.238 ( -5.758 0.142 1.494) 5.950 3.299 ( -4.997 0.989 3.511) 6.186 3.316 ( -4.353 0.965 -0.522) 4.489 3.378 ( -8.367 3.279 -3.143) 9.520 3.523 ( -6.829 -2.119 1.075) 7.230 3.583 ( -11.451 1.221 4.907) 12.518 3.727 ( -7.730 -2.179 0.004) 8.031 3.740 ( -4.913 2.984 0.371) 5.760 3.839 ( -4.434 -4.711 -2.155) 6.818 3.944 ( -0.115 -3.978 2.734) 4.828 4.047 ( 1.292 4.601 0.201) 4.783 4.109 ( -3.620 4.910 -2.955) 6.778 4.160 ( -0.853 3.869 -2.210) 4.537 4.270 ( -3.394 4.608 6.274) 8.492 4.395 ( -5.018 1.569 -4.444) 6.884 4.446 ( 3.605 1.632 -3.188) 5.082 4.524 ( -0.634 1.783 -1.282) 2.286 4.558 ( -3.669 1.540 4.928) 6.334 4.584 ( -2.451 0.834 -0.508) 2.638 4.611 ( -3.171 1.312 0.817) 3.528 4.627 ( -4.497 -1.874 -0.250) 4.879 4.691 ( -3.873 4.109 -0.809) 5.704 4.746 ( 3.365 1.401 1.052) 3.794 4.770 ( -1.136 -1.451 -0.860) 2.034 4.865 ( 0.028 -0.281 0.554) 0.622 4.917 ( 0.337 -1.819 3.284) 3.769 4.938 ( -1.457 -1.368 -1.382) 2.430 4.975 ( 2.157 -1.362 -1.185) 2.813 4.991 ( 1.249 -0.573 1.955) 2.389 5.064 ( 1.925 0.904 -1.577) 2.648 5.079 ( 0.276 -0.886 -1.040) 1.394 5.106 ( -1.275 -1.255 -0.322) 1.818 5.146 ( 1.553 -2.237 3.114) 4.137 5.181 ( 0.379 -1.929 1.006) 2.208 5.224 ( -0.878 -2.046 -0.954) 2.422 5.288 ( 3.484 0.665 0.800) 3.636 5.304 ( 1.910 -0.942 2.578) 3.344 5.321 ( -3.346 1.974 0.904) 3.989 5.338 ( 1.329 -3.180 -1.201) 3.649 5.359 ( 0.557 0.316 -2.079) 2.176 5.383 ( 2.256 1.884 -1.554) 3.325 5.426 ( 1.213 0.640 -0.573) 1.486 5.449 ( 3.802 0.372 0.571) 3.862 5.462 ( 0.308 -2.148 0.544) 2.237 5.483 ( 2.790 -2.025 -3.268) 4.750 5.534 ( -1.050 -2.071 1.184) 2.606 5.545 ( 1.305 -3.500 -1.399) 3.989 5.586 ( 2.512 2.020 0.443) 3.254 5.599 ( 2.510 2.915 0.612) 3.895 5.642 ( -0.810 -0.347 -0.709) 1.131 5.712 ( 2.388 -1.333 -0.652) 2.811 5.725 ( 5.815 2.210 -0.726) 6.264 5.785 ( 4.469 2.676 -3.599) 6.331 5.791 ( -1.434 0.722 2.793) 3.222 5.810 ( 2.940 -0.810 -1.217) 3.283 5.871 ( 2.864 3.191 -0.605) 4.331 5.903 ( -1.134 1.776 -0.301) 2.129 5.945 ( -1.298 0.852 -0.671) 1.691 5.959 ( -2.469 -4.575 -0.580) 5.231 5.971 ( 0.541 -2.465 2.699) 3.695 6.019 ( -0.704 -0.821 -1.087) 1.534 6.033 ( 4.745 -0.922 3.252) 5.826 6.061 ( 0.609 -0.617 -1.780) 1.980 6.105 ( 3.265 -0.506 0.385) 3.326 6.145 ( 2.601 -5.098 -0.401) 5.737 6.183 ( -0.588 -0.536 0.517) 0.949 6.237 ( 2.308 -0.197 -2.036) 3.084 6.259 ( 2.257 -0.178 -2.517) 3.386 6.334 ( 1.270 -0.616 2.429) 2.809 6.414 ( 0.876 -1.709 -4.644) 5.026 6.450 ( -1.551 1.429 0.126) 2.113 6.457 ( 1.305 1.048 2.865) 3.318 6.499 ( 1.866 2.903 1.819) 3.902 6.584 ( -1.114 -1.869 -0.252) 2.190 6.597 ( -1.175 -1.699 0.604) 2.152 6.613 ( -2.092 -2.888 0.549) 3.608 6.633 ( -0.251 -1.955 -2.084) 2.868 6.703 ( -1.411 2.103 0.423) 2.568 6.739 ( -3.601 -1.612 1.180) 4.118 6.768 ( 1.676 2.600 0.969) 3.242 6.802 ( -0.351 5.441 0.919) 5.529 6.830 ( -0.298 5.803 4.086) 7.103 6.857 ( 1.489 4.023 1.573) 4.569 6.903 ( -0.824 5.358 -0.411) 5.436 6.953 ( -3.082 1.111 -1.441) 3.579 7.129 ( 0.895 4.557 -3.594) 5.873 7.208 ( -2.783 -3.032 1.580) 4.408 7.275 ( -1.019 4.123 1.172) 4.406 7.336 ( 0.090 -2.746 -3.142) 4.174 7.419 ( -0.061 -0.294 0.112) 0.320 7.445 ( 1.523 -0.294 1.501) 2.158 7.507 ( 0.381 -1.663 2.920) 3.382 7.598 ( 4.204 -5.082 -1.791) 6.834 7.680 ( -0.416 -4.675 -1.025) 4.804 7.717 ( -0.864 -1.548 -2.485) 3.052 7.870 ( 3.224 0.156 -1.063) 3.398 7.971 ( 2.908 -6.385 2.811) 7.558 8.037 ( 7.799 0.680 2.832) 8.325 8.202 ( 7.213 -3.268 1.503) 8.060 8.276 ( 9.128 -0.728 -2.244) 9.427 8.455 ( 8.544 -3.892 2.531) 9.724 8.575 ( 6.501 -0.809 -2.489) 7.008 8.611 ( 9.158 2.478 0.759) 9.518 8.687 ( 7.316 0.496 0.047) 7.333 8.745 ( -6.938 1.397 -3.333) 7.823 8.866 ( -3.664 -0.789 3.845) 5.370 9.527 ( 8.394 -1.635 -0.662) 8.577 9.577 ( 8.016 -1.361 0.166) 8.132 18.456 ( -7.849 -0.180 -0.091) 7.851 18.499 ( -7.045 -1.494 0.038) 7.201 18.987 ( 3.454 0.009 0.011) 3.454 18.990 ( 3.434 -0.010 -0.010) 3.434 19.114 ( -0.336 0.141 -0.041) 0.367 19.118 ( -0.286 0.101 0.048) 0.307 19.128 ( -0.357 -0.145 -0.101) 0.398 19.140 ( -0.161 -0.498 0.168) 0.549 19.242 ( -0.363 -0.266 0.065) 0.455 19.244 ( -0.285 -0.380 -0.117) 0.489 19.272 ( 0.178 0.074 -0.023) 0.194 19.281 ( 0.178 0.316 0.132) 0.386 19.288 ( 0.042 -0.360 -0.037) 0.364 19.303 ( 0.078 -0.223 -0.074) 0.247 19.310 ( -0.090 0.052 -0.013) 0.105 19.312 ( -0.149 -0.343 -0.287) 0.471 19.470 ( -0.275 0.204 0.044) 0.346 19.478 ( -0.107 0.276 -0.203) 0.359 19.480 ( -0.078 -0.071 0.130) 0.167 19.505 ( 0.260 -0.549 0.156) 0.627 19.518 ( 0.272 0.090 0.028) 0.288 19.524 ( 0.266 0.054 0.030) 0.273 19.528 ( 0.077 -0.062 0.042) 0.107 19.531 ( 0.202 -0.303 -0.095) 0.376 19.626 ( -0.044 0.923 -0.029) 0.924 19.631 ( -0.001 1.031 0.003) 1.031 19.661 ( 0.448 -0.094 0.008) 0.458 19.666 ( 0.369 -0.014 -0.014) 0.370 19.721 ( -0.574 0.012 0.021) 0.575 19.724 ( -0.554 -0.068 -0.021) 0.558 19.780 ( 0.425 0.157 0.085) 0.461 19.791 ( 0.652 -0.073 -0.068) 0.660 37.930 ( -0.145 -0.056 -0.115) 0.193 37.935 ( -0.178 -0.104 0.061) 0.215 37.944 ( -0.113 -0.196 -0.188) 0.294 37.948 ( -0.129 -0.202 0.148) 0.282 38.001 ( -0.140 -0.060 0.202) 0.253 38.002 ( -0.044 0.084 -0.086) 0.128 38.016 ( 0.114 -0.396 -0.205) 0.460 38.021 ( 0.154 -0.410 -0.173) 0.470 38.059 ( 0.132 0.713 0.141) 0.739 38.067 ( 0.233 1.009 -0.391) 1.107 38.077 ( 0.014 0.199 0.211) 0.290 38.085 ( 0.126 0.507 -0.054) 0.525 38.263 ( -0.998 0.024 -0.094) 1.003 38.264 ( -0.879 0.044 0.097) 0.886 38.360 ( 1.243 0.385 0.086) 1.304 38.367 ( 1.019 0.324 -0.079) 1.072 60.508 ( -2.835 2.524 0.235) 3.803 60.589 ( -2.273 2.641 1.572) 3.823 60.714 ( -3.245 -2.011 0.748) 3.890 60.760 ( -3.651 -0.900 -0.125) 3.762 60.844 ( -5.919 2.278 -1.251) 6.464 60.971 ( -6.170 -0.172 -0.466) 6.189 61.056 ( 0.195 7.015 -3.368) 7.784 61.123 ( -5.659 -0.716 3.501) 6.693 61.141 ( -4.956 2.579 -0.518) 5.611 61.233 ( -13.111 -0.118 -2.579) 13.363 61.322 ( -7.838 3.082 1.868) 8.627 61.705 ( 8.034 -0.560 2.320) 8.381 61.807 ( 3.421 -6.915 -3.997) 8.689 62.156 ( 7.879 -5.015 7.379) 11.902 62.405 ( 12.562 7.795 -1.370) 14.848 62.777 ( 17.795 6.415 -3.452) 19.229 ======================= Grid point 62 (31/39) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -10.658 14.678 7.945) 19.803 0.848 ( -16.282 17.129 11.532) 26.297 1.155 ( -11.098 3.221 -8.351) 14.257 1.269 ( -18.989 21.799 8.752) 30.206 1.341 ( -6.374 7.733 -11.456) 15.220 1.485 ( -1.523 0.841 6.919) 7.134 1.495 ( 3.189 2.082 4.695) 6.045 1.654 ( 0.845 -6.176 3.006) 6.920 1.734 ( -2.923 -5.065 -0.415) 5.863 1.841 ( -3.961 -3.270 2.770) 5.836 1.892 ( 0.035 -4.594 1.946) 4.989 1.914 ( 0.206 -4.685 -2.212) 5.185 2.079 ( 4.450 0.490 -0.065) 4.478 2.142 ( 4.018 -0.731 -7.068) 8.163 2.183 ( 0.805 -0.428 -2.893) 3.033 2.232 ( -3.479 3.217 -6.540) 8.076 2.266 ( 1.186 2.041 -0.995) 2.562 2.350 ( 0.735 4.465 -0.465) 4.549 2.405 ( 3.486 1.692 -0.622) 3.924 2.462 ( 2.811 -2.024 0.147) 3.467 2.484 ( 4.216 -0.603 -1.056) 4.387 2.539 ( 5.119 1.018 -0.972) 5.309 2.555 ( 3.407 1.123 -1.023) 3.730 2.578 ( 1.795 -0.072 -0.084) 1.799 2.600 ( -2.417 5.143 -1.132) 5.794 2.740 ( -5.104 -1.116 0.313) 5.233 2.743 ( -3.533 1.200 -0.199) 3.737 2.764 ( -2.606 2.188 -2.935) 4.494 2.805 ( -3.154 -2.765 0.052) 4.195 2.892 ( -4.515 1.979 1.129) 5.057 2.952 ( -6.685 1.136 -3.675) 7.712 3.012 ( -3.207 0.989 -2.254) 4.043 3.114 ( -7.618 -0.293 4.076) 8.645 3.181 ( -8.113 -0.926 2.166) 8.448 3.208 ( -6.136 -0.696 0.256) 6.180 3.243 ( -3.511 -0.548 -1.550) 3.877 3.351 ( -8.332 -4.280 4.602) 10.437 3.533 ( -2.285 -3.650 4.797) 6.446 3.561 ( -5.322 -2.979 -0.171) 6.101 3.707 ( -0.564 3.709 2.079) 4.289 3.783 ( -1.054 -5.445 -3.070) 6.338 3.941 ( -1.288 1.622 -3.681) 4.223 4.033 ( -0.565 6.021 5.556) 8.213 4.079 ( 1.471 5.984 -0.823) 6.216 4.140 ( -0.033 4.818 -2.458) 5.409 4.275 ( -1.485 3.253 -0.846) 3.674 4.341 ( 0.397 2.638 2.349) 3.554 4.419 ( -1.665 4.279 -0.045) 4.592 4.461 ( -5.003 1.836 1.301) 5.486 4.489 ( -2.197 0.716 -1.768) 2.909 4.564 ( -0.077 1.654 -2.529) 3.022 4.570 ( -3.048 2.214 -2.463) 4.501 4.616 ( 2.385 1.235 4.410) 5.164 4.635 ( -0.017 1.897 0.777) 2.050 4.741 ( -0.550 -3.972 0.161) 4.013 4.794 ( -0.037 2.165 -0.689) 2.273 4.861 ( -1.158 1.853 0.119) 2.188 4.925 ( -0.855 3.670 0.961) 3.889 4.941 ( 1.119 -4.155 2.394) 4.924 4.998 ( -2.958 -2.183 0.092) 3.677 5.017 ( 2.131 -0.074 0.124) 2.136 5.069 ( 1.484 -0.753 2.483) 2.989 5.083 ( 1.123 1.983 -2.097) 3.097 5.128 ( 0.024 -1.143 0.383) 1.206 5.163 ( -2.116 -1.478 -2.447) 3.556 5.187 ( 0.696 -1.822 2.219) 2.954 5.221 ( -0.115 -2.234 1.597) 2.748 5.240 ( -2.213 0.582 -0.137) 2.292 5.304 ( -0.474 -3.657 0.220) 3.694 5.330 ( 0.273 -0.693 -2.279) 2.397 5.367 ( -0.615 -0.109 -0.634) 0.890 5.390 ( 2.518 -1.390 2.128) 3.578 5.402 ( 0.542 -1.347 0.733) 1.626 5.442 ( -1.780 -1.524 -3.890) 4.541 5.453 ( 3.619 1.940 -0.181) 4.111 5.467 ( -2.199 -1.100 -2.122) 3.248 5.487 ( 1.291 -4.829 -1.977) 5.375 5.533 ( -0.388 -1.487 -0.037) 1.537 5.565 ( 1.270 -0.635 -1.872) 2.350 5.599 ( -0.358 3.226 2.070) 3.850 5.632 ( -1.353 0.623 1.283) 1.966 5.661 ( -0.355 -1.941 -0.963) 2.196 5.715 ( -1.354 1.523 0.159) 2.044 5.739 ( 1.272 5.054 -1.959) 5.568 5.761 ( -3.573 -1.202 -1.012) 3.903 5.782 ( -2.570 -1.994 -1.503) 3.584 5.848 ( 0.557 1.308 1.637) 2.168 5.856 ( -0.209 0.626 0.767) 1.012 5.909 ( -0.147 -2.745 -2.254) 3.555 5.930 ( 0.908 -0.774 0.184) 1.207 5.980 ( 1.083 -1.984 1.302) 2.609 6.008 ( -0.027 0.597 -0.163) 0.620 6.027 ( 2.713 -0.496 0.316) 2.776 6.050 ( 1.763 -3.954 0.433) 4.351 6.122 ( 0.200 -1.047 0.890) 1.389 6.178 ( 5.773 -2.060 -1.190) 6.244 6.189 ( 1.158 -0.232 -1.543) 1.943 6.220 ( 3.611 -0.263 -1.211) 3.818 6.238 ( 0.680 -2.745 -0.927) 2.976 6.273 ( 2.022 -1.162 -4.868) 5.398 6.326 ( -1.603 -2.142 -1.077) 2.884 6.366 ( -1.839 2.001 -2.277) 3.546 6.458 ( -0.559 -1.998 0.935) 2.276 6.484 ( -1.548 -2.014 2.246) 3.391 6.516 ( 0.161 0.736 0.062) 0.756 6.542 ( -0.570 -0.115 3.577) 3.624 6.598 ( 0.713 -1.444 -0.085) 1.612 6.620 ( -2.784 -1.321 5.567) 6.363 6.640 ( 0.626 -1.062 1.903) 2.268 6.695 ( -0.641 -0.906 4.254) 4.397 6.733 ( 0.781 0.837 -1.788) 2.123 6.749 ( -0.212 2.351 -1.953) 3.063 6.811 ( -0.568 5.073 -0.209) 5.109 6.854 ( 2.325 2.115 1.224) 3.373 6.874 ( 1.726 5.886 -0.998) 6.215 6.920 ( 2.542 1.771 0.912) 3.229 6.962 ( 0.585 3.632 1.605) 4.013 7.088 ( -2.700 4.928 -2.185) 6.029 7.205 ( -0.170 -0.885 3.356) 3.475 7.237 ( -2.567 -0.277 0.778) 2.696 7.301 ( -0.270 -0.856 -3.774) 3.879 7.418 ( 0.777 -2.367 -0.698) 2.587 7.496 ( 1.266 -0.607 -0.321) 1.440 7.521 ( 0.590 -2.068 0.803) 2.296 7.579 ( -3.718 -3.002 -1.603) 5.041 7.649 ( -3.788 -1.986 0.472) 4.303 7.730 ( 3.949 -6.574 0.013) 7.669 7.894 ( 0.993 -3.602 -3.234) 4.942 8.107 ( 6.337 -0.908 6.398) 9.051 8.214 ( 6.415 4.859 4.362) 9.154 8.347 ( 6.668 -3.878 -0.166) 7.716 8.439 ( 8.429 2.024 -3.985) 9.540 8.515 ( -5.432 0.074 -3.438) 6.429 8.657 ( -0.724 2.021 0.524) 2.210 8.676 ( 4.023 -4.217 1.036) 5.919 8.737 ( 4.745 1.853 -1.416) 5.287 8.866 ( 8.821 0.936 3.317) 9.470 9.010 ( 14.408 -0.068 3.794) 14.899 9.658 ( 5.316 -1.505 -0.997) 5.614 9.700 ( 3.998 -2.577 -0.062) 4.757 18.322 ( -5.123 -0.074 -0.012) 5.124 18.363 ( -6.342 -2.040 -0.807) 6.711 19.038 ( 1.677 0.041 0.059) 1.679 19.041 ( 1.708 -0.006 -0.033) 1.709 19.109 ( -0.154 0.178 0.035) 0.238 19.113 ( -0.243 0.104 -0.030) 0.266 19.121 ( -0.284 -0.131 -0.003) 0.313 19.134 ( -0.611 -0.742 -0.141) 0.971 19.233 ( -0.604 -0.273 -0.171) 0.684 19.237 ( -0.289 -0.279 -0.058) 0.406 19.276 ( 0.183 0.076 0.017) 0.198 19.284 ( 0.039 0.179 -0.173) 0.252 19.288 ( -0.118 -0.213 0.139) 0.281 19.293 ( -0.547 -0.165 -0.308) 0.649 19.310 ( 0.027 0.110 -0.011) 0.114 19.311 ( 0.070 0.072 -0.001) 0.100 19.466 ( -0.139 0.262 0.133) 0.325 19.474 ( -0.092 0.262 -0.276) 0.392 19.487 ( 0.328 -0.475 0.836) 1.016 19.509 ( 0.121 -0.795 -0.008) 0.804 19.523 ( 0.191 0.038 0.084) 0.212 19.528 ( 0.144 0.024 -0.058) 0.157 19.530 ( 0.036 -0.037 0.130) 0.140 19.534 ( 0.159 -0.438 -0.136) 0.485 19.627 ( 0.078 1.220 0.080) 1.225 19.638 ( 0.705 1.386 -0.393) 1.604 19.669 ( 0.272 -0.161 0.023) 0.317 19.672 ( 0.190 -0.123 -0.045) 0.231 19.712 ( -0.315 0.048 0.043) 0.322 19.715 ( -0.335 -0.033 -0.050) 0.340 19.789 ( 0.315 0.169 0.344) 0.496 19.802 ( 0.470 -0.050 -0.210) 0.517 37.929 ( 0.170 -0.372 -0.158) 0.438 37.932 ( -0.128 -0.557 0.097) 0.580 37.942 ( 0.059 -0.196 -0.158) 0.259 37.946 ( -0.224 -0.249 0.227) 0.405 37.999 ( -0.233 -0.013 0.215) 0.317 38.001 ( -0.067 0.077 -0.062) 0.120 38.015 ( -0.010 -0.490 -0.192) 0.526 38.021 ( -0.009 -0.500 -0.146) 0.521 38.061 ( 0.025 0.665 -0.216) 0.699 38.068 ( 0.113 0.826 -0.330) 0.897 38.079 ( 0.015 0.641 0.383) 0.747 38.086 ( -0.035 0.695 0.137) 0.709 38.246 ( -0.558 -0.067 -0.036) 0.563 38.251 ( -0.505 -0.057 -0.043) 0.510 38.381 ( 0.795 0.586 0.021) 0.988 38.384 ( 0.641 0.528 0.098) 0.837 60.472 ( -1.479 3.371 2.160) 4.268 60.552 ( -2.596 1.673 2.229) 3.808 60.655 ( -1.881 -0.742 -1.285) 2.396 60.688 ( -3.587 -1.899 -1.251) 4.247 60.738 ( -2.588 1.089 -0.967) 2.970 60.868 ( -4.273 -1.908 0.700) 4.732 60.966 ( -7.096 1.884 -0.377) 7.351 61.026 ( -6.114 1.415 1.938) 6.568 61.039 ( -0.282 5.156 -5.182) 7.315 61.097 ( -2.344 0.858 -0.113) 2.499 61.320 ( 5.316 2.802 7.543) 9.644 61.798 ( 3.300 -2.442 -9.351) 10.212 61.940 ( 8.562 -4.817 7.442) 12.325 62.290 ( -1.193 -10.344 4.542) 11.360 62.647 ( 12.779 17.053 1.569) 21.367 63.077 ( 16.282 11.966 -9.478) 22.318 ======================= Grid point 63 (32/39) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -3.760 15.324 10.440) 18.920 1.030 ( -5.133 10.147 7.322) 13.525 1.087 ( -1.058 9.637 -0.762) 9.725 1.314 ( 3.612 -6.395 -9.222) 11.789 1.400 ( 1.029 -4.432 0.107) 4.551 1.497 ( -1.037 3.203 -4.223) 5.401 1.511 ( 0.790 -9.326 2.004) 9.571 1.632 ( 1.493 -3.435 -5.120) 6.343 1.688 ( -0.317 1.753 6.152) 6.405 1.761 ( -0.569 -2.646 -1.006) 2.888 1.868 ( 2.428 11.039 8.040) 13.870 1.975 ( 2.613 3.672 1.968) 4.918 2.066 ( -0.301 -0.717 -1.701) 1.871 2.114 ( -0.952 -1.980 -4.315) 4.842 2.200 ( -1.004 3.871 0.030) 3.999 2.242 ( 1.428 1.241 -3.273) 3.780 2.357 ( 1.077 2.992 -0.807) 3.281 2.397 ( -0.578 2.579 -1.672) 3.127 2.452 ( -0.567 1.736 -1.266) 2.222 2.469 ( 2.348 -0.605 -1.099) 2.662 2.583 ( -4.704 0.017 2.151) 5.173 2.588 ( -1.810 0.968 0.503) 2.114 2.607 ( -0.836 1.381 -1.632) 2.296 2.621 ( -4.070 -0.975 -0.356) 4.200 2.641 ( 3.507 1.225 -0.494) 3.747 2.647 ( 5.446 0.545 -0.289) 5.481 2.734 ( -0.050 0.950 1.637) 1.893 2.743 ( -0.380 0.728 1.050) 1.333 2.831 ( -0.065 2.767 0.525) 2.817 2.853 ( -0.968 -0.307 -0.984) 1.414 2.920 ( -1.239 3.721 0.240) 3.929 2.985 ( 0.282 -0.398 -3.606) 3.639 2.993 ( 2.024 -2.885 -0.526) 3.563 3.025 ( 0.176 -3.571 -2.810) 4.548 3.110 ( -1.601 -0.576 1.473) 2.251 3.136 ( 0.178 -2.671 -0.349) 2.700 3.288 ( 2.302 2.355 2.792) 4.317 3.361 ( -2.787 -3.740 -3.127) 5.616 3.480 ( -1.351 -3.122 5.884) 6.796 3.557 ( 0.881 -9.660 -1.817) 9.869 3.851 ( 1.231 3.615 5.508) 6.703 3.900 ( -0.238 -1.330 2.112) 2.507 4.169 ( -0.908 3.312 -3.487) 4.894 4.194 ( 0.236 1.085 -4.645) 4.775 4.319 ( 0.407 9.158 2.562) 9.518 4.340 ( 1.110 3.325 0.147) 3.508 4.356 ( -0.785 1.681 0.986) 2.101 4.417 ( -0.243 2.147 1.862) 2.852 4.440 ( 0.059 -1.823 -4.223) 4.600 4.468 ( -0.657 -2.277 -2.201) 3.234 4.584 ( -1.437 6.008 0.809) 6.230 4.611 ( 0.854 4.848 -0.633) 4.963 4.716 ( 0.369 4.926 3.736) 6.194 4.727 ( 0.368 -3.153 1.995) 3.749 4.772 ( 1.061 5.215 0.994) 5.414 4.782 ( -0.656 1.236 -0.321) 1.435 4.875 ( 2.330 -3.632 3.734) 5.706 4.919 ( -0.771 -2.388 2.106) 3.276 4.949 ( -0.350 -1.714 2.516) 3.064 4.986 ( 0.501 -1.820 1.342) 2.316 5.011 ( -0.893 1.176 -2.133) 2.594 5.037 ( -1.876 -0.824 -0.074) 2.051 5.084 ( -2.148 -0.898 -1.546) 2.794 5.106 ( -0.558 -1.332 -0.206) 1.459 5.116 ( 2.046 0.939 -2.424) 3.308 5.146 ( 1.396 0.874 -2.714) 3.175 5.185 ( 0.200 -1.378 1.485) 2.036 5.216 ( 0.649 -2.533 -1.896) 3.230 5.245 ( 1.296 -4.439 -0.117) 4.626 5.270 ( -0.014 -6.786 -2.031) 7.084 5.315 ( -1.233 1.304 1.436) 2.298 5.339 ( -0.138 -1.313 -0.609) 1.454 5.358 ( 0.346 2.006 -1.044) 2.288 5.407 ( 0.682 -2.310 -3.732) 4.442 5.449 ( 0.662 1.449 -0.299) 1.621 5.472 ( 1.393 -0.517 -2.263) 2.707 5.542 ( -0.673 2.740 1.599) 3.243 5.549 ( -0.056 0.708 2.053) 2.172 5.581 ( 1.129 1.410 2.997) 3.500 5.612 ( -3.487 -0.093 -0.965) 3.619 5.616 ( -0.955 0.192 0.954) 1.364 5.659 ( -0.693 0.928 2.603) 2.850 5.701 ( -0.945 -1.962 1.053) 2.419 5.710 ( 1.495 -0.773 -1.276) 2.112 5.713 ( -0.284 2.287 -3.182) 3.929 5.778 ( -0.779 -2.242 -1.390) 2.750 5.822 ( 0.489 2.615 -2.213) 3.460 5.856 ( 1.789 -1.285 -4.348) 4.874 5.917 ( -0.873 -2.380 3.116) 4.016 5.934 ( 1.657 -3.787 1.661) 4.455 5.991 ( 1.469 1.943 2.738) 3.665 6.009 ( -1.978 1.100 0.779) 2.394 6.053 ( 0.374 2.382 1.624) 2.907 6.074 ( -1.282 -0.096 0.005) 1.285 6.084 ( 0.558 -1.785 2.511) 3.131 6.119 ( -3.919 -2.528 0.976) 4.765 6.191 ( 0.882 1.107 -1.697) 2.210 6.214 ( 0.019 0.035 -4.699) 4.699 6.231 ( 3.138 -1.355 0.434) 3.446 6.264 ( -1.179 -3.077 -1.238) 3.520 6.319 ( 1.928 2.729 1.039) 3.499 6.371 ( -1.284 -0.300 0.470) 1.400 6.398 ( 1.695 -0.107 -3.018) 3.463 6.442 ( -0.154 -2.069 -3.323) 3.918 6.503 ( 0.221 0.186 1.507) 1.534 6.522 ( -0.859 -1.817 0.918) 2.210 6.605 ( -0.272 1.240 2.114) 2.466 6.618 ( -0.856 -0.367 1.952) 2.163 6.649 ( -0.266 0.404 3.333) 3.368 6.681 ( -1.146 -2.491 2.079) 3.441 6.747 ( -0.409 2.064 1.208) 2.426 6.763 ( 1.594 0.063 0.775) 1.774 6.908 ( -0.354 0.946 -0.467) 1.113 6.912 ( -0.586 0.195 -0.617) 0.873 7.000 ( 0.169 4.448 1.327) 4.645 7.029 ( 0.501 2.312 -0.437) 2.405 7.071 ( 2.490 3.935 0.812) 4.727 7.095 ( -1.805 1.543 -0.912) 2.544 7.184 ( -0.665 -1.196 1.414) 1.968 7.198 ( 0.998 -0.512 0.366) 1.180 7.329 ( -0.439 0.560 -0.335) 0.786 7.375 ( 0.998 -3.185 -3.526) 4.855 7.455 ( 0.258 0.798 0.006) 0.838 7.464 ( -1.865 2.304 -0.862) 3.087 7.542 ( -0.655 -2.201 0.138) 2.300 7.546 ( 0.306 -1.552 -0.210) 1.596 7.666 ( 0.814 -4.053 2.239) 4.701 7.724 ( 0.335 -7.721 -3.491) 8.480 8.318 ( 3.686 3.908 2.816) 6.065 8.345 ( -6.993 2.602 0.935) 7.520 8.404 ( 1.685 -1.306 3.899) 4.444 8.456 ( -8.539 -5.107 0.337) 9.956 8.492 ( 5.341 2.513 -4.092) 7.182 8.532 ( 4.739 -1.185 -5.247) 7.169 8.788 ( -0.016 5.710 3.367) 6.628 8.843 ( 0.097 3.740 -1.518) 4.037 8.968 ( 1.031 -4.721 1.523) 5.066 9.008 ( -1.827 -8.627 -1.714) 8.983 9.690 ( -0.305 -0.012 0.350) 0.464 9.705 ( 0.338 -0.876 -0.965) 1.346 18.273 ( -0.054 0.121 0.054) 0.143 18.275 ( 0.019 -0.039 -0.099) 0.108 19.056 ( 0.014 0.045 0.043) 0.064 19.057 ( -0.010 -0.040 -0.038) 0.056 19.112 ( -0.014 0.168 0.036) 0.173 19.113 ( 0.040 0.164 -0.058) 0.178 19.115 ( -0.013 -0.172 0.064) 0.183 19.117 ( -0.032 -0.188 -0.043) 0.196 19.225 ( 0.027 -0.019 0.046) 0.056 19.227 ( -0.035 -0.166 -0.091) 0.192 19.281 ( 0.042 0.072 0.060) 0.103 19.282 ( -0.018 -0.012 -0.011) 0.024 19.288 ( -0.040 0.075 0.001) 0.085 19.289 ( 0.049 -0.008 -0.059) 0.077 19.312 ( 0.006 0.069 0.021) 0.072 19.313 ( -0.007 0.042 -0.004) 0.043 19.473 ( 0.041 0.319 0.178) 0.367 19.476 ( -0.007 0.127 -0.088) 0.155 19.485 ( 0.080 -0.291 0.267) 0.403 19.490 ( -0.099 -0.677 -0.179) 0.707 19.528 ( 0.032 0.086 0.055) 0.107 19.529 ( -0.007 0.017 -0.088) 0.090 19.529 ( -0.019 -0.054 0.032) 0.065 19.530 ( -0.000 -0.074 -0.041) 0.084 19.653 ( 0.013 0.896 0.236) 0.927 19.659 ( -0.009 0.568 -0.340) 0.662 19.666 ( 0.024 -0.458 0.047) 0.462 19.668 ( -0.015 -0.349 -0.116) 0.368 19.711 ( 0.004 0.058 0.026) 0.063 19.711 ( -0.003 0.011 -0.018) 0.021 19.798 ( 0.014 0.164 0.175) 0.240 19.802 ( -0.005 -0.176 -0.144) 0.227 37.920 ( 0.007 -0.292 0.022) 0.293 37.921 ( 0.074 -0.379 -0.075) 0.394 37.939 ( -0.208 -0.003 0.122) 0.241 37.941 ( 0.105 -0.152 -0.046) 0.191 37.995 ( -0.227 -0.044 0.544) 0.591 37.997 ( -0.138 -0.245 0.512) 0.584 38.010 ( 0.252 -0.004 -0.600) 0.651 38.012 ( 0.252 -0.207 -0.702) 0.774 38.070 ( 0.005 0.297 -0.295) 0.418 38.071 ( -0.107 0.195 -0.386) 0.446 38.103 ( 0.151 0.562 0.385) 0.698 38.104 ( 0.126 0.462 0.277) 0.553 38.240 ( 0.037 0.046 -0.009) 0.059 38.242 ( -0.036 -0.090 -0.165) 0.192 38.405 ( 0.006 0.476 0.164) 0.503 38.405 ( 0.080 0.395 0.091) 0.414 60.549 ( -0.905 2.543 1.932) 3.319 60.568 ( 0.636 2.112 0.747) 2.329 60.596 ( -0.839 -1.509 0.615) 1.833 60.615 ( 0.584 -1.399 -1.067) 1.854 60.734 ( 1.151 -0.067 1.054) 1.562 60.747 ( -0.604 -1.288 0.563) 1.530 60.975 ( -1.436 1.976 0.723) 2.547 60.990 ( 0.684 0.902 -0.684) 1.323 61.061 ( -0.556 1.008 -1.041) 1.552 61.077 ( 1.937 -0.054 -2.341) 3.039 61.494 ( 2.279 2.176 1.684) 3.572 61.577 ( -2.368 -5.702 -6.212) 8.758 62.128 ( 2.450 -0.250 4.700) 5.306 62.143 ( -3.249 -1.594 3.062) 4.741 63.101 ( -0.002 9.203 2.666) 9.581 63.228 ( 0.258 -3.206 -8.844) 9.410 ======================= Grid point 64 (33/39) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 6.965 9.964 5.261) 13.246 1.101 ( 6.266 7.209 8.833) 13.009 1.146 ( 5.034 11.594 4.664) 13.472 1.384 ( 8.604 -4.042 -7.749) 12.264 1.419 ( 1.279 -0.755 2.966) 3.317 1.496 ( 3.584 -0.932 -3.753) 5.272 1.568 ( 2.826 -6.343 4.960) 8.534 1.654 ( 0.806 0.174 -4.597) 4.670 1.685 ( -0.734 -3.341 1.398) 3.695 1.743 ( 2.495 -5.451 -5.835) 8.366 1.990 ( 2.519 6.386 4.578) 8.251 1.992 ( 1.025 2.196 -7.110) 7.511 2.026 ( -3.054 1.233 -2.105) 3.908 2.077 ( -0.596 -2.506 3.100) 4.030 2.207 ( 1.677 4.035 -0.184) 4.373 2.237 ( 0.693 1.221 -3.195) 3.490 2.337 ( -1.397 2.614 -1.071) 3.151 2.386 ( -3.533 -1.755 1.618) 4.264 2.418 ( -2.480 2.765 -1.578) 4.036 2.455 ( -8.446 -0.908 1.573) 8.639 2.488 ( -0.694 3.710 -0.139) 3.777 2.506 ( -2.100 1.763 0.454) 2.780 2.561 ( -1.529 1.914 -0.553) 2.511 2.586 ( -0.242 -0.244 -0.037) 0.346 2.678 ( 2.322 3.881 0.424) 4.542 2.735 ( 2.191 -1.544 -0.940) 2.840 2.764 ( 3.227 2.753 0.465) 4.267 2.793 ( 4.033 0.341 0.680) 4.104 2.841 ( 1.452 4.506 -0.996) 4.838 2.900 ( 4.720 -0.254 2.438) 5.319 2.930 ( 2.894 0.408 0.328) 2.941 2.984 ( 4.204 -1.755 -0.414) 4.575 3.130 ( 11.426 -0.471 -1.714) 11.563 3.154 ( 10.855 -2.920 -1.885) 11.397 3.194 ( 6.488 0.887 1.598) 6.740 3.224 ( 6.746 -0.823 0.968) 6.864 3.328 ( 2.615 -2.645 -3.375) 5.022 3.399 ( 5.064 -6.385 3.609) 8.913 3.525 ( 3.187 -0.602 3.746) 4.955 3.605 ( 4.936 -6.487 -1.360) 8.264 3.881 ( -0.876 2.494 -2.542) 3.668 3.899 ( 0.010 1.082 3.340) 3.511 4.135 ( -1.919 2.781 1.378) 3.649 4.165 ( -0.583 -0.492 -2.709) 2.814 4.341 ( 0.813 8.654 0.919) 8.741 4.360 ( -0.566 6.718 -4.226) 7.957 4.398 ( 3.147 1.961 1.123) 3.874 4.431 ( 1.759 0.298 1.604) 2.399 4.452 ( 5.435 1.139 0.901) 5.625 4.496 ( 3.191 -0.363 0.115) 3.214 4.594 ( 1.466 4.968 2.222) 5.636 4.632 ( 0.450 3.482 -1.714) 3.907 4.705 ( -3.610 1.020 -0.784) 3.833 4.713 ( -2.101 -0.084 -0.514) 2.164 4.766 ( 1.655 -0.071 1.056) 1.965 4.776 ( -0.647 -1.723 0.825) 2.017 4.874 ( -2.491 -0.822 -2.387) 3.547 4.900 ( -2.950 -5.240 2.439) 6.489 4.953 ( -1.507 -0.370 -1.021) 1.858 4.993 ( 0.351 -2.237 1.636) 2.793 5.024 ( 0.736 1.495 1.993) 2.598 5.038 ( 2.637 1.115 0.801) 2.973 5.065 ( -2.135 0.410 -1.008) 2.396 5.100 ( 0.714 0.215 1.143) 1.364 5.150 ( -0.260 -0.070 -3.233) 3.244 5.170 ( 3.064 -2.887 0.065) 4.210 5.190 ( 1.068 -3.039 -0.733) 3.304 5.226 ( 1.409 0.433 -1.893) 2.400 5.234 ( 0.521 -3.526 0.214) 3.571 5.267 ( 0.599 -3.047 -0.925) 3.240 5.293 ( -1.781 -0.535 -0.257) 1.877 5.332 ( -0.005 -2.662 0.947) 2.826 5.377 ( 1.782 2.130 -0.907) 2.922 5.421 ( 1.799 -2.065 -0.623) 2.809 5.436 ( -0.932 2.275 0.631) 2.539 5.480 ( -0.457 -0.749 -3.545) 3.652 5.522 ( -3.494 2.443 -0.348) 4.277 5.539 ( -0.974 0.117 -0.373) 1.050 5.573 ( -0.144 -1.206 1.530) 1.954 5.575 ( -0.576 -0.548 -0.181) 0.815 5.640 ( 0.784 1.496 2.526) 3.039 5.677 ( 0.232 -0.931 1.303) 1.617 5.701 ( 1.552 1.114 1.618) 2.504 5.727 ( -1.449 0.675 -0.440) 1.658 5.769 ( 3.585 -0.614 1.621) 3.982 5.779 ( 1.166 -1.232 -2.181) 2.763 5.802 ( 1.839 2.223 0.631) 2.953 5.871 ( 1.643 -0.874 -3.367) 3.847 5.917 ( 0.126 -1.783 0.652) 1.902 5.939 ( -1.882 -0.602 -0.712) 2.100 5.962 ( -2.026 0.285 0.642) 2.144 6.009 ( -2.774 -1.812 0.888) 3.431 6.042 ( -1.653 0.044 2.642) 3.117 6.057 ( -2.414 -2.915 1.626) 4.119 6.071 ( -1.111 1.191 0.926) 1.873 6.096 ( -2.542 -0.597 1.409) 2.968 6.124 ( -0.807 2.722 -3.942) 4.857 6.196 ( 0.099 -2.676 -3.705) 4.572 6.253 ( 0.467 2.124 2.124) 3.040 6.292 ( 0.221 -0.984 -1.503) 1.810 6.333 ( -0.964 2.368 -0.350) 2.580 6.355 ( 0.783 1.089 1.509) 2.019 6.421 ( 0.123 -3.398 -0.119) 3.403 6.443 ( 3.671 -1.260 -3.109) 4.973 6.517 ( 1.642 0.348 -0.592) 1.780 6.526 ( -0.482 -0.512 0.461) 0.841 6.587 ( -2.672 -0.904 1.678) 3.282 6.599 ( -1.657 -1.970 1.584) 3.023 6.658 ( 0.091 1.241 1.225) 1.746 6.692 ( 0.511 0.151 1.018) 1.149 6.758 ( 1.649 3.741 1.240) 4.272 6.809 ( 1.910 -0.543 0.043) 1.986 6.874 ( -2.200 0.812 1.751) 2.927 6.893 ( -0.385 -1.145 -0.397) 1.271 6.986 ( -2.230 4.726 0.223) 5.230 7.007 ( -1.407 3.492 -2.033) 4.278 7.081 ( 1.150 3.305 -1.400) 3.769 7.112 ( 0.830 -0.448 0.376) 1.015 7.188 ( 0.220 0.166 -0.538) 0.604 7.222 ( 0.698 -2.291 0.907) 2.561 7.333 ( 0.243 2.562 0.433) 2.609 7.374 ( -0.217 3.540 -1.863) 4.006 7.429 ( 1.448 -4.883 0.681) 5.138 7.488 ( -2.030 -4.233 -0.882) 4.777 7.506 ( 2.207 2.797 1.879) 4.028 7.600 ( 2.119 -4.333 1.303) 4.996 7.655 ( -1.472 -2.156 -1.901) 3.229 7.720 ( 0.548 -7.379 -1.147) 7.488 8.167 ( -9.611 2.454 1.785) 10.078 8.244 ( -10.438 -4.686 0.545) 11.455 8.299 ( -8.180 4.760 2.005) 9.674 8.381 ( -6.477 -2.798 0.251) 7.060 8.582 ( 6.732 3.017 -3.326) 8.093 8.638 ( 5.404 -2.619 -1.611) 6.217 8.747 ( -6.198 4.812 3.293) 8.510 8.762 ( -6.028 5.702 -2.851) 8.774 8.855 ( -10.186 -5.285 -0.317) 11.480 8.909 ( -7.725 -6.687 1.804) 10.375 9.639 ( -4.784 0.560 0.037) 4.817 9.661 ( -4.048 -1.461 -0.212) 4.308 18.324 ( 5.098 0.287 -0.026) 5.106 18.334 ( 5.375 -0.621 0.053) 5.411 19.040 ( -1.718 0.029 -0.014) 1.718 19.040 ( -1.681 -0.025 0.010) 1.681 19.113 ( 0.168 0.202 0.007) 0.263 19.116 ( 0.301 0.225 -0.034) 0.377 19.118 ( 0.224 -0.239 0.013) 0.328 19.122 ( 0.400 -0.299 0.044) 0.501 19.230 ( 0.338 -0.067 -0.034) 0.347 19.230 ( 0.361 -0.156 0.041) 0.395 19.279 ( -0.143 0.131 -0.023) 0.195 19.281 ( -0.100 -0.047 0.007) 0.110 19.289 ( 0.059 0.064 0.042) 0.097 19.291 ( 0.170 -0.139 -0.095) 0.240 19.312 ( -0.062 0.068 -0.006) 0.092 19.312 ( -0.053 0.047 0.012) 0.072 19.475 ( 0.048 0.222 -0.135) 0.264 19.475 ( 0.102 0.252 0.095) 0.288 19.486 ( -0.094 -0.387 -0.233) 0.461 19.489 ( 0.086 -0.557 0.293) 0.635 19.526 ( -0.163 0.086 -0.064) 0.194 19.528 ( -0.091 0.057 0.013) 0.108 19.528 ( -0.150 -0.058 0.039) 0.165 19.529 ( -0.074 -0.108 -0.010) 0.131 19.652 ( -0.311 0.842 0.121) 0.906 19.653 ( -0.273 0.749 -0.162) 0.814 19.665 ( -0.224 -0.366 -0.001) 0.429 19.666 ( -0.125 -0.422 -0.011) 0.440 19.714 ( 0.281 0.017 -0.029) 0.283 19.714 ( 0.282 0.020 0.029) 0.284 19.796 ( -0.376 0.044 0.092) 0.390 19.797 ( -0.358 -0.035 -0.098) 0.373 37.921 ( 0.116 -0.197 -0.054) 0.235 37.923 ( 0.182 -0.385 -0.083) 0.434 37.938 ( 0.012 0.111 0.117) 0.162 37.943 ( 0.100 -0.350 0.047) 0.367 37.997 ( 0.010 0.035 0.524) 0.525 38.000 ( 0.044 -0.207 0.384) 0.439 38.010 ( 0.189 -0.052 -0.587) 0.619 38.013 ( 0.250 -0.280 -0.609) 0.715 38.067 ( -0.057 0.380 0.004) 0.384 38.070 ( 0.097 0.046 -0.002) 0.108 38.105 ( -0.076 0.573 -0.160) 0.600 38.106 ( -0.053 0.537 -0.130) 0.555 38.246 ( 0.558 0.044 -0.068) 0.563 38.247 ( 0.620 -0.076 0.021) 0.625 38.395 ( -0.925 0.441 -0.025) 1.025 38.396 ( -0.922 0.343 -0.024) 0.984 60.561 ( 0.946 2.718 1.178) 3.110 60.601 ( 1.297 1.817 0.083) 2.234 60.619 ( 2.726 -2.128 0.937) 3.583 60.639 ( 3.004 -1.039 -0.663) 3.247 60.791 ( 5.378 1.802 -0.433) 5.688 60.834 ( 6.709 -2.308 -0.107) 7.096 60.976 ( 2.158 2.909 1.347) 3.864 61.017 ( 1.765 -1.083 -0.045) 2.071 61.107 ( 6.010 1.702 -1.038) 6.332 61.132 ( 4.909 -0.207 -2.747) 5.629 61.461 ( -4.021 2.754 -3.544) 6.026 61.546 ( 0.057 -4.637 3.074) 5.563 62.028 ( -8.660 3.849 0.623) 9.497 62.139 ( -4.246 -6.397 2.916) 8.213 62.957 ( -14.151 9.379 0.338) 16.981 63.069 ( -10.850 -1.709 -2.277) 11.217 ======================= Grid point 65 (34/39) ======================= q-point: ( 0.25 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 7.749 9.586 -3.421) 12.793 1.339 ( 7.339 -2.654 9.013) 11.923 1.357 ( 10.287 6.749 6.522) 13.925 1.442 ( 1.893 2.952 -1.432) 3.788 1.536 ( 6.267 -1.740 3.240) 7.266 1.588 ( 2.041 -1.572 0.160) 2.582 1.643 ( 4.420 4.003 -2.180) 6.349 1.662 ( 5.951 -0.304 -3.727) 7.028 1.675 ( 2.652 -6.331 4.182) 8.037 1.831 ( 9.206 -7.008 -9.488) 14.963 1.940 ( -0.455 0.978 -3.741) 3.893 1.962 ( -1.139 -0.494 -1.900) 2.269 2.035 ( -1.795 2.615 1.667) 3.584 2.064 ( -2.952 -0.980 1.713) 3.551 2.204 ( -2.953 0.633 -1.659) 3.445 2.220 ( -0.317 0.870 -2.631) 2.789 2.271 ( -3.886 1.163 0.800) 4.135 2.296 ( -6.290 -1.497 1.077) 6.555 2.335 ( -2.585 -0.457 -0.254) 2.637 2.340 ( -3.371 -0.988 0.911) 3.629 2.429 ( -5.396 1.658 1.050) 5.742 2.441 ( -4.024 1.030 1.145) 4.309 2.556 ( -1.508 2.736 -1.180) 3.340 2.578 ( 0.643 0.974 -1.058) 1.575 2.811 ( 8.581 2.820 -0.514) 9.047 2.820 ( 5.583 3.061 2.173) 6.728 2.862 ( 6.241 1.739 -0.036) 6.479 2.895 ( 5.594 3.295 -0.996) 6.568 2.907 ( 6.758 1.909 -0.856) 7.074 2.999 ( 4.759 -3.492 -0.330) 5.912 3.062 ( 6.561 1.971 3.612) 7.745 3.086 ( 4.808 0.505 0.962) 4.929 3.316 ( 5.451 3.043 -0.625) 6.274 3.337 ( 5.732 0.782 -0.747) 5.833 3.341 ( 7.748 0.608 -0.458) 7.786 3.398 ( 11.851 3.276 0.880) 12.327 3.441 ( 8.848 -7.733 -2.778) 12.075 3.540 ( 8.535 -9.075 5.300) 13.538 3.684 ( 9.235 1.374 2.095) 9.569 3.719 ( 7.290 -1.962 -0.641) 7.576 3.868 ( 3.057 2.848 -4.540) 6.170 3.921 ( 2.204 -1.556 -0.690) 2.785 4.107 ( -2.409 3.212 2.857) 4.928 4.136 ( -0.888 -0.501 0.724) 1.251 4.310 ( -1.816 10.884 -1.255) 11.106 4.406 ( 2.928 5.381 1.796) 6.384 4.444 ( 2.788 3.226 -2.535) 4.961 4.479 ( 1.886 -1.223 1.645) 2.785 4.517 ( -3.555 5.148 1.658) 6.472 4.583 ( 2.548 -1.297 -1.297) 3.139 4.626 ( 2.972 2.095 -0.462) 3.665 4.647 ( 2.855 -0.292 -1.280) 3.142 4.663 ( 1.314 -1.161 -0.265) 1.773 4.710 ( 2.883 -0.026 0.708) 2.969 4.769 ( 2.091 -2.716 -1.938) 3.938 4.778 ( -3.026 0.064 -2.154) 3.715 4.825 ( -2.087 -2.771 -1.367) 3.729 4.870 ( -0.099 -5.218 4.438) 6.851 4.930 ( -1.426 0.778 0.161) 1.633 4.970 ( -0.232 -1.279 -1.986) 2.373 5.004 ( -3.218 0.209 -0.739) 3.308 5.036 ( -3.355 -0.211 2.038) 3.931 5.060 ( 0.105 -1.306 -2.233) 2.589 5.075 ( 0.260 -1.296 0.461) 1.400 5.144 ( 0.532 1.723 0.447) 1.857 5.186 ( -1.752 -0.231 -2.418) 2.995 5.204 ( -0.686 -1.269 -1.398) 2.009 5.239 ( 0.960 0.098 1.172) 1.518 5.268 ( -0.374 -1.254 0.695) 1.482 5.281 ( 1.210 -1.209 -1.105) 2.036 5.293 ( -0.526 -2.848 1.538) 3.280 5.331 ( 1.184 -2.951 2.526) 4.061 5.382 ( -4.640 2.221 -0.068) 5.145 5.424 ( -2.125 -2.128 -1.091) 3.199 5.430 ( 1.574 1.476 1.875) 2.859 5.439 ( -2.275 0.528 1.515) 2.784 5.468 ( 1.508 0.522 0.031) 1.596 5.501 ( -0.454 -1.590 -2.369) 2.888 5.574 ( -0.322 3.179 0.569) 3.245 5.604 ( 2.414 0.637 -1.283) 2.807 5.616 ( -2.264 1.139 -1.228) 2.817 5.673 ( -1.657 -1.336 -0.218) 2.140 5.696 ( -2.054 0.769 0.197) 2.202 5.724 ( -1.076 -1.952 0.772) 2.359 5.777 ( -2.318 1.645 1.537) 3.231 5.802 ( -4.288 4.179 0.162) 5.990 5.836 ( -1.069 -2.612 1.246) 3.086 5.871 ( -0.293 0.508 0.421) 0.722 5.888 ( -0.646 0.634 1.305) 1.588 5.932 ( -4.380 0.873 0.514) 4.496 5.957 ( -1.349 1.304 0.322) 1.904 5.967 ( 1.854 -2.514 -0.456) 3.157 5.982 ( -4.048 -3.010 2.258) 5.526 6.003 ( 1.352 -1.209 -1.455) 2.325 6.058 ( 0.801 0.450 -1.737) 1.965 6.077 ( 1.472 -0.335 -1.175) 1.913 6.128 ( 1.997 0.096 1.618) 2.573 6.161 ( -2.040 -3.316 -2.017) 4.384 6.270 ( 1.117 1.245 -3.177) 3.591 6.271 ( -1.558 1.207 2.724) 3.363 6.314 ( -0.792 4.602 1.959) 5.063 6.373 ( -1.471 -3.616 1.836) 4.314 6.424 ( 0.712 0.654 0.882) 1.308 6.499 ( -0.930 -4.300 0.010) 4.400 6.506 ( -2.395 1.882 -0.732) 3.133 6.530 ( 2.665 -0.259 -2.758) 3.844 6.555 ( 2.573 0.308 -1.247) 2.876 6.590 ( -0.341 -2.156 -0.082) 2.185 6.674 ( 0.390 2.439 -1.212) 2.751 6.696 ( 0.495 0.161 0.164) 0.546 6.826 ( 2.682 4.541 -0.569) 5.304 6.848 ( 3.296 4.205 2.789) 6.027 6.886 ( 2.869 -0.631 -0.693) 3.019 6.931 ( -0.206 2.424 4.413) 5.040 6.954 ( 1.802 0.953 -1.775) 2.703 6.985 ( 1.843 1.940 -1.827) 3.240 7.076 ( 0.180 6.539 -2.983) 7.190 7.114 ( -1.987 0.593 1.738) 2.705 7.172 ( -0.077 -3.288 -2.140) 3.924 7.226 ( -0.659 -4.969 1.345) 5.190 7.319 ( -1.259 4.277 1.803) 4.809 7.385 ( 0.876 -2.129 -2.799) 3.624 7.454 ( 0.582 0.661 2.663) 2.805 7.477 ( 0.726 -2.222 -0.060) 2.338 7.558 ( 0.173 -0.755 2.407) 2.528 7.585 ( -1.293 -2.345 -4.169) 4.955 7.647 ( 0.196 -1.916 0.415) 1.970 7.725 ( 0.234 -8.771 1.491) 8.900 7.998 ( -7.430 2.194 -0.662) 7.775 8.059 ( -10.663 -0.426 3.209) 11.143 8.099 ( -10.097 -0.004 -0.821) 10.131 8.199 ( -10.813 -6.032 0.276) 12.385 8.512 ( -11.376 4.163 -0.722) 12.135 8.563 ( -8.755 0.525 -2.039) 9.004 8.625 ( -8.291 -1.050 -0.160) 8.358 8.655 ( -9.911 -2.962 0.668) 10.365 8.775 ( 6.528 3.586 0.218) 7.451 8.850 ( 4.654 -3.853 -0.086) 6.042 9.513 ( -7.732 0.930 0.060) 7.788 9.544 ( -7.551 -1.885 -0.018) 7.783 18.457 ( 7.840 0.272 -0.073) 7.845 18.470 ( 7.746 -0.901 0.161) 7.800 18.988 ( -3.484 0.057 -0.011) 3.485 18.989 ( -3.454 -0.066 0.007) 3.454 19.117 ( 0.261 0.221 -0.017) 0.342 19.122 ( 0.292 -0.092 -0.131) 0.333 19.124 ( 0.371 0.102 0.114) 0.401 19.130 ( 0.395 -0.401 0.069) 0.568 19.237 ( 0.360 -0.101 0.036) 0.376 19.238 ( 0.331 -0.159 0.014) 0.367 19.275 ( -0.184 0.159 -0.079) 0.256 19.279 ( -0.120 -0.188 0.113) 0.251 19.290 ( -0.008 0.167 -0.095) 0.192 19.294 ( 0.129 -0.254 0.059) 0.291 19.310 ( -0.092 0.062 -0.017) 0.112 19.311 ( -0.027 0.010 -0.006) 0.029 19.476 ( 0.154 0.158 -0.146) 0.265 19.478 ( 0.121 -0.007 -0.028) 0.124 19.484 ( 0.027 0.139 -0.074) 0.160 19.492 ( 0.043 -0.540 0.162) 0.565 19.522 ( -0.241 0.143 -0.072) 0.289 19.524 ( -0.198 -0.136 0.009) 0.241 19.525 ( -0.205 0.082 0.066) 0.231 19.527 ( -0.152 -0.122 0.004) 0.195 19.645 ( -0.251 0.765 -0.033) 0.806 19.648 ( -0.180 0.599 0.025) 0.626 19.659 ( -0.308 -0.181 -0.018) 0.358 19.662 ( -0.214 -0.337 0.023) 0.400 19.722 ( 0.537 0.006 -0.023) 0.537 19.722 ( 0.534 -0.027 0.022) 0.535 19.786 ( -0.590 0.096 -0.086) 0.604 19.787 ( -0.601 -0.073 0.068) 0.609 37.927 ( 0.468 -0.002 0.006) 0.468 37.929 ( 0.502 -0.307 0.020) 0.588 37.941 ( 0.254 0.149 0.050) 0.299 37.946 ( 0.185 -0.283 -0.003) 0.338 38.001 ( -0.007 0.088 0.355) 0.366 38.003 ( -0.005 -0.163 0.345) 0.382 38.008 ( 0.018 -0.018 -0.439) 0.440 38.012 ( 0.010 -0.350 -0.363) 0.504 38.068 ( 0.008 0.437 0.273) 0.515 38.073 ( 0.030 0.000 0.174) 0.176 38.096 ( -0.572 0.627 -0.429) 0.951 38.099 ( -0.509 0.344 -0.335) 0.700 38.262 ( 1.064 0.101 0.048) 1.070 38.264 ( 1.025 -0.067 0.021) 1.027 38.371 ( -1.392 0.416 -0.067) 1.454 38.374 ( -1.279 0.134 -0.079) 1.288 60.595 ( 2.185 3.495 -0.735) 4.187 60.635 ( 2.206 0.980 0.481) 2.461 60.692 ( 3.227 -1.812 0.259) 3.710 60.707 ( 3.729 -1.851 0.013) 4.164 60.921 ( 7.568 2.643 -1.137) 8.096 60.967 ( 7.167 -1.560 -1.270) 7.444 61.061 ( 3.803 4.178 3.051) 6.421 61.133 ( 7.603 -2.291 3.137) 8.538 61.215 ( 7.184 0.909 -4.061) 8.302 61.231 ( 6.643 -1.154 -5.956) 8.997 61.406 ( 1.073 6.988 2.542) 7.513 61.559 ( -1.191 -6.307 5.089) 8.191 61.842 ( -8.548 6.015 -2.074) 10.656 62.024 ( -7.912 -10.334 0.332) 13.019 62.634 ( -17.234 10.516 -0.004) 20.189 62.772 ( -17.564 -2.838 0.344) 17.795 ======================= Grid point 66 (35/39) ======================= q-point: ( 0.38 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 7.383 3.859 -2.381) 8.664 1.381 ( 0.717 -1.838 -2.427) 3.128 1.564 ( -0.419 -0.226 -0.411) 0.629 1.578 ( 5.178 -1.223 1.259) 5.467 1.593 ( 7.585 3.587 6.690) 10.731 1.670 ( 4.716 -2.964 1.725) 5.831 1.741 ( 3.355 -0.595 3.385) 4.803 1.768 ( 4.260 -0.612 0.430) 4.325 1.831 ( 3.967 2.578 1.154) 4.870 1.893 ( 5.020 -0.717 -2.978) 5.881 1.930 ( 1.347 3.297 -1.110) 3.730 1.951 ( -0.265 0.142 -2.367) 2.386 1.996 ( -2.296 -2.919 -0.795) 3.798 2.004 ( 0.236 -1.732 -2.093) 2.727 2.120 ( -3.809 1.464 0.203) 4.086 2.153 ( -4.973 -1.060 0.430) 5.103 2.189 ( -2.141 1.019 -1.469) 2.790 2.222 ( -2.565 -1.837 0.342) 3.173 2.285 ( 0.900 2.898 -2.543) 3.959 2.315 ( -5.465 2.435 -0.566) 6.009 2.362 ( -1.150 -2.617 2.012) 3.496 2.390 ( 0.176 -1.577 0.256) 1.607 2.493 ( -3.938 3.765 0.217) 5.452 2.571 ( -1.200 -2.735 0.439) 3.018 2.908 ( 2.186 2.753 2.410) 4.262 2.949 ( 3.538 0.134 2.072) 4.102 2.966 ( 4.601 2.812 -1.423) 5.577 3.011 ( 6.027 1.307 -2.794) 6.770 3.044 ( 5.708 1.565 -0.320) 5.928 3.098 ( 5.244 -2.087 -0.420) 5.660 3.164 ( 2.430 1.194 -0.087) 2.708 3.185 ( 2.977 -0.707 1.668) 3.485 3.389 ( 2.794 2.984 -0.570) 4.127 3.414 ( 2.567 1.409 -0.647) 2.999 3.467 ( 4.348 1.399 -1.102) 4.699 3.484 ( 1.271 0.442 0.028) 1.346 3.712 ( 13.368 0.504 1.971) 13.522 3.786 ( 9.927 -5.629 5.321) 12.591 3.856 ( 7.014 3.288 0.017) 7.747 3.906 ( 9.266 -1.578 0.998) 9.452 3.953 ( 9.016 3.366 -3.313) 10.179 4.008 ( 8.667 -1.170 -2.649) 9.138 4.091 ( -0.236 4.113 0.153) 4.122 4.151 ( 1.611 -1.758 1.036) 2.600 4.234 ( -5.376 8.708 1.000) 10.283 4.372 ( -8.447 1.434 2.507) 8.927 4.462 ( -5.397 0.922 -1.845) 5.778 4.496 ( 2.780 2.458 0.718) 3.780 4.549 ( 6.222 -0.911 -2.629) 6.816 4.583 ( -2.832 -3.993 -1.646) 5.165 4.630 ( -0.098 0.304 -0.481) 0.578 4.661 ( -0.734 -0.876 -0.929) 1.473 4.707 ( 3.363 -0.650 -0.152) 3.428 4.735 ( -0.809 -2.908 0.338) 3.037 4.772 ( 0.415 -0.363 -1.217) 1.336 4.783 ( 0.912 -2.673 -0.554) 2.878 4.841 ( 1.864 1.004 -0.641) 2.212 4.855 ( 2.476 0.194 -0.202) 2.492 4.906 ( -0.533 0.307 -1.525) 1.644 4.947 ( 0.311 0.142 -1.283) 1.328 4.981 ( -0.757 0.976 3.158) 3.391 5.033 ( -0.127 -4.083 1.464) 4.340 5.047 ( 1.272 2.156 3.008) 3.914 5.097 ( -2.888 0.549 -2.999) 4.199 5.107 ( -2.617 -0.916 -1.716) 3.260 5.134 ( -0.212 -3.574 -0.365) 3.598 5.164 ( -0.863 0.339 -0.136) 0.937 5.220 ( 0.264 1.158 0.824) 1.445 5.229 ( -2.416 -2.321 -0.715) 3.426 5.266 ( 0.189 -2.686 0.391) 2.721 5.320 ( -0.503 1.402 -0.344) 1.528 5.338 ( -0.823 2.551 1.874) 3.270 5.363 ( -0.131 -1.652 -0.482) 1.725 5.409 ( 0.386 -2.788 0.904) 2.956 5.418 ( -1.420 0.704 1.462) 2.156 5.445 ( -2.306 -0.977 -2.382) 3.456 5.479 ( -2.464 0.719 2.338) 3.471 5.501 ( -0.783 -0.462 2.313) 2.485 5.534 ( -0.812 3.289 -0.098) 3.389 5.542 ( -8.102 1.473 0.556) 8.254 5.585 ( -1.274 1.683 0.820) 2.264 5.617 ( -4.032 0.293 -0.067) 4.043 5.639 ( -0.636 1.364 -0.727) 1.671 5.692 ( -2.161 0.680 -0.765) 2.392 5.722 ( -2.696 1.036 1.772) 3.389 5.746 ( -2.168 -2.900 1.063) 3.774 5.781 ( -2.430 -1.153 0.026) 2.689 5.807 ( -2.617 -2.167 1.368) 3.663 5.840 ( -2.283 2.677 -0.749) 3.597 5.888 ( -1.257 -1.511 -0.913) 2.167 5.908 ( -0.583 1.651 -0.429) 1.802 5.966 ( -1.458 -3.039 -0.998) 3.515 6.015 ( 1.818 2.513 -1.881) 3.627 6.063 ( 3.417 -2.080 -1.490) 4.268 6.083 ( 2.896 0.829 -1.517) 3.373 6.109 ( 0.805 3.038 1.911) 3.679 6.146 ( 1.519 -4.385 -0.989) 4.745 6.183 ( 0.970 -0.393 0.414) 1.126 6.264 ( 1.495 3.428 0.346) 3.755 6.288 ( -0.389 1.506 -1.241) 1.990 6.316 ( -1.992 -0.255 3.410) 3.957 6.342 ( 2.017 -1.735 -1.821) 3.224 6.416 ( -1.437 0.983 -1.201) 2.114 6.435 ( -2.367 0.002 0.474) 2.414 6.505 ( -2.522 2.710 3.692) 5.229 6.556 ( -2.665 -1.095 3.160) 4.276 6.582 ( 3.017 1.186 1.202) 3.458 6.623 ( 3.319 -2.213 0.537) 4.025 6.649 ( 0.470 4.213 -3.692) 5.622 6.727 ( 2.659 -3.396 -2.686) 5.081 6.888 ( 0.653 5.858 0.224) 5.899 6.901 ( -0.870 2.953 -1.252) 3.323 6.925 ( 1.751 1.776 -0.801) 2.620 6.940 ( 2.559 7.883 -0.166) 8.290 6.964 ( 0.247 -0.106 0.225) 0.351 7.071 ( 1.803 6.140 0.519) 6.420 7.094 ( 2.415 -5.145 -0.345) 5.694 7.112 ( 3.973 3.243 0.602) 5.163 7.152 ( 0.241 3.848 -0.288) 3.866 7.242 ( 1.071 -5.800 0.321) 5.907 7.308 ( -0.805 -0.339 1.427) 1.673 7.395 ( 2.809 -7.352 -1.021) 7.936 7.468 ( -1.129 3.728 2.062) 4.407 7.497 ( 1.554 1.740 -0.369) 2.362 7.524 ( -0.515 -0.821 -4.458) 4.562 7.566 ( -1.625 -3.911 1.934) 4.656 7.633 ( -1.921 1.307 1.194) 2.612 7.738 ( -0.766 -7.317 0.569) 7.379 7.823 ( -11.359 0.268 2.221) 11.577 7.875 ( -6.252 0.229 -1.271) 6.384 7.938 ( -6.095 -4.758 0.467) 7.747 8.019 ( -5.661 -7.024 -1.508) 9.146 8.319 ( -6.148 3.090 -0.175) 6.883 8.394 ( -6.118 -2.423 -0.353) 6.590 8.442 ( -7.563 -1.533 -1.149) 7.802 8.476 ( -7.917 -3.721 0.557) 8.765 8.941 ( 9.256 2.462 0.290) 9.582 8.989 ( 8.433 -2.059 -0.223) 8.684 9.338 ( -9.621 1.161 0.021) 9.691 9.370 ( -9.587 -1.626 -0.031) 9.724 18.620 ( 8.213 0.259 -0.045) 8.217 18.630 ( 7.962 -0.675 0.081) 7.991 18.900 ( -5.376 0.082 -0.008) 5.377 18.902 ( -5.302 -0.135 0.008) 5.304 19.122 ( 0.202 0.196 0.051) 0.286 19.126 ( 0.203 -0.107 -0.084) 0.244 19.131 ( 0.229 0.130 0.076) 0.275 19.137 ( 0.186 -0.331 -0.045) 0.383 19.243 ( 0.170 -0.141 0.015) 0.221 19.243 ( 0.178 -0.166 0.003) 0.243 19.272 ( -0.127 0.191 -0.033) 0.232 19.277 ( -0.158 -0.359 -0.028) 0.394 19.289 ( 0.011 0.424 0.039) 0.426 19.296 ( 0.003 -0.323 0.062) 0.329 19.309 ( -0.051 0.081 0.027) 0.100 19.311 ( 0.015 -0.123 -0.017) 0.125 19.479 ( 0.209 0.099 -0.054) 0.237 19.481 ( 0.188 -0.109 0.013) 0.217 19.485 ( 0.061 0.322 -0.019) 0.329 19.493 ( -0.059 -0.387 -0.006) 0.392 19.517 ( -0.167 0.196 -0.024) 0.259 19.521 ( -0.203 0.026 -0.033) 0.208 19.521 ( -0.158 -0.111 0.083) 0.210 19.524 ( -0.155 -0.168 -0.001) 0.228 19.643 ( 0.039 0.589 0.001) 0.590 19.647 ( 0.072 0.375 -0.002) 0.382 19.652 ( -0.323 0.023 -0.008) 0.324 19.657 ( -0.291 -0.209 0.008) 0.359 19.734 ( 0.632 0.002 -0.013) 0.632 19.735 ( 0.626 -0.045 0.011) 0.628 19.773 ( -0.599 0.069 -0.047) 0.605 19.775 ( -0.676 -0.102 0.038) 0.685 37.939 ( 0.680 0.170 0.043) 0.702 37.942 ( 0.611 -0.091 0.025) 0.618 37.947 ( 0.288 0.207 0.033) 0.356 37.950 ( 0.214 -0.078 -0.032) 0.230 38.001 ( -0.107 0.043 0.109) 0.159 38.003 ( -0.155 -0.115 0.075) 0.207 38.006 ( -0.101 -0.092 -0.080) 0.159 38.008 ( -0.165 -0.324 -0.092) 0.375 38.069 ( -0.070 0.465 0.178) 0.503 38.073 ( -0.025 0.163 0.133) 0.212 38.081 ( -0.616 0.317 -0.270) 0.744 38.084 ( -0.585 0.050 -0.162) 0.609 38.286 ( 1.214 0.138 0.037) 1.222 38.288 ( 1.323 0.008 0.060) 1.324 38.342 ( -1.406 0.353 -0.071) 1.452 38.346 ( -1.402 -0.007 -0.054) 1.403 60.634 ( 2.282 3.766 -0.805) 4.476 60.690 ( 2.525 1.302 0.657) 2.916 60.727 ( 1.031 -1.226 -1.346) 2.092 60.777 ( 2.056 -2.988 0.549) 3.668 61.049 ( 5.340 2.890 -0.775) 6.121 61.078 ( 3.890 -0.027 -0.372) 3.908 61.164 ( 3.831 5.447 1.621) 6.854 61.237 ( 3.508 -2.126 -0.589) 4.144 61.287 ( 4.454 4.145 -1.306) 6.222 61.394 ( 8.114 -5.037 1.344) 9.645 61.513 ( 1.792 2.837 0.886) 3.471 61.602 ( 1.731 -5.054 2.623) 5.951 61.730 ( 3.946 4.939 -1.842) 6.584 61.875 ( -3.917 -8.762 -1.004) 9.650 62.291 ( -17.045 7.974 0.002) 18.818 62.404 ( -19.081 -2.817 0.248) 19.289 ======================= Grid point 67 (36/39) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -0.195 -0.733 -0.706) 1.036 1.387 ( 0.453 -1.608 -1.379) 2.166 1.604 ( 2.664 0.637 0.582) 2.800 1.614 ( -4.638 0.033 -0.598) 4.677 1.678 ( 0.242 -1.695 0.396) 1.757 1.681 ( -1.134 -2.028 -0.005) 2.323 1.785 ( 0.065 4.152 3.039) 5.146 1.843 ( 2.669 0.452 -0.805) 2.824 1.879 ( -0.691 0.034 3.001) 3.080 1.898 ( -4.750 -0.296 1.712) 5.057 1.940 ( -0.476 -0.174 1.521) 1.603 1.973 ( 0.305 0.615 1.649) 1.786 2.004 ( 4.645 2.328 0.496) 5.219 2.036 ( -1.061 -1.819 -1.126) 2.388 2.050 ( -2.916 0.601 0.106) 2.979 2.067 ( 1.731 -2.115 -0.093) 2.734 2.189 ( 1.631 2.181 -3.295) 4.275 2.213 ( -0.256 0.935 -4.412) 4.517 2.246 ( -0.764 -0.978 -1.539) 1.977 2.285 ( 6.428 -1.913 -4.413) 8.028 2.342 ( -2.280 6.630 2.127) 7.326 2.383 ( 0.564 5.712 -1.582) 5.954 2.483 ( 0.364 -5.436 4.448) 7.033 2.531 ( -2.529 -6.129 0.463) 6.647 2.944 ( -0.953 2.739 3.044) 4.204 2.989 ( -1.329 -1.015 3.067) 3.493 3.009 ( 1.038 3.181 -2.437) 4.140 3.065 ( 1.752 -0.630 -4.073) 4.479 3.119 ( 0.866 2.325 1.861) 3.102 3.158 ( -0.363 3.053 -1.842) 3.584 3.175 ( -0.159 -2.849 1.148) 3.076 3.203 ( -0.827 -2.109 -0.961) 2.461 3.418 ( 0.305 2.953 0.154) 2.973 3.432 ( -0.501 1.816 -0.673) 2.000 3.490 ( -1.122 1.754 0.608) 2.169 3.500 ( 0.687 0.853 -0.704) 1.302 3.864 ( -2.808 2.371 4.108) 5.512 3.916 ( -2.138 -1.835 3.999) 4.892 3.967 ( 3.925 2.986 -3.115) 5.833 4.028 ( 5.813 -1.567 -3.776) 7.106 4.077 ( -5.872 6.256 2.562) 8.954 4.124 ( 3.472 7.514 -0.536) 8.295 4.162 ( -0.385 1.973 2.211) 2.988 4.172 ( 1.832 4.277 2.600) 5.330 4.237 ( -3.049 -3.312 -1.497) 4.745 4.271 ( -2.962 -0.286 -3.403) 4.521 4.293 ( 10.304 -4.115 1.551) 11.204 4.342 ( -8.512 -3.568 -2.508) 9.564 4.579 ( 0.838 -0.843 -1.771) 2.133 4.587 ( -0.933 -1.762 -2.480) 3.181 4.660 ( 1.919 -1.285 1.069) 2.545 4.670 ( 1.370 -1.724 1.183) 2.500 4.711 ( -0.617 -0.904 -1.094) 1.548 4.724 ( -2.262 -2.084 -1.414) 3.385 4.776 ( 1.662 -1.397 0.412) 2.209 4.790 ( -2.102 -2.689 -0.701) 3.484 4.866 ( 2.059 2.390 2.404) 3.966 4.909 ( -1.489 1.121 -1.420) 2.343 4.936 ( -0.101 0.235 1.213) 1.239 4.951 ( -0.201 -0.849 0.582) 1.049 4.999 ( 0.926 2.470 0.195) 2.645 5.034 ( -1.807 -0.068 -0.368) 1.845 5.044 ( -1.088 -0.593 -0.006) 1.239 5.060 ( 2.072 -1.857 -0.403) 2.812 5.090 ( -0.364 0.457 -1.179) 1.316 5.119 ( 1.998 -0.733 -1.920) 2.866 5.168 ( -2.162 0.243 0.666) 2.275 5.183 ( 1.317 -0.244 -0.269) 1.366 5.239 ( -0.214 -0.350 0.729) 0.837 5.259 ( -1.950 -1.929 -0.047) 2.743 5.298 ( 1.533 1.284 -0.695) 2.116 5.303 ( -2.336 1.045 -1.027) 2.757 5.357 ( 2.046 2.286 3.022) 4.306 5.394 ( 0.747 -0.695 2.520) 2.719 5.409 ( -0.862 0.988 -1.291) 1.840 5.424 ( 1.376 -0.748 0.188) 1.577 5.441 ( 0.397 0.919 -0.104) 1.006 5.450 ( 1.790 -0.277 -0.824) 1.990 5.503 ( -1.746 1.007 1.578) 2.560 5.525 ( -1.019 -1.624 0.479) 1.976 5.579 ( -0.579 -0.733 2.442) 2.614 5.612 ( 1.728 -1.625 0.405) 2.406 5.643 ( -1.380 0.809 0.626) 1.718 5.651 ( 0.012 1.456 0.470) 1.530 5.687 ( 0.546 0.553 2.316) 2.443 5.732 ( -1.068 -1.368 0.317) 1.765 5.757 ( -0.532 1.842 0.414) 1.962 5.802 ( -0.022 -1.830 2.781) 3.330 5.815 ( 1.486 1.335 -3.596) 4.113 5.889 ( 1.213 -2.239 -2.610) 3.647 5.907 ( -1.012 -0.806 0.708) 1.476 5.920 ( 0.090 -0.966 0.389) 1.045 6.037 ( 1.278 1.989 -2.155) 3.199 6.069 ( 0.186 1.036 -4.549) 4.669 6.088 ( -0.359 -2.233 -1.446) 2.684 6.115 ( -1.206 -1.996 -2.959) 3.768 6.172 ( 0.860 3.253 1.697) 3.769 6.212 ( -2.584 3.368 -2.360) 4.857 6.224 ( 2.765 -1.442 2.632) 4.081 6.261 ( -3.242 -1.626 -1.066) 3.780 6.341 ( 0.553 2.245 2.429) 3.353 6.380 ( -0.179 2.368 -0.949) 2.557 6.391 ( 0.055 -1.205 0.088) 1.209 6.400 ( 0.199 0.654 -0.029) 0.684 6.496 ( -0.831 3.855 6.219) 7.364 6.568 ( 0.617 -2.844 5.539) 6.257 6.619 ( 1.101 2.513 -4.465) 5.241 6.657 ( 0.663 -1.006 -1.609) 2.010 6.693 ( 3.754 3.341 2.265) 5.512 6.769 ( 0.837 -2.502 -3.227) 4.168 6.814 ( -2.170 3.229 1.129) 4.051 6.851 ( -3.255 1.081 0.045) 3.430 6.940 ( -2.641 6.404 0.748) 6.967 6.972 ( 0.869 3.644 -1.717) 4.121 6.997 ( 1.681 5.670 0.406) 5.928 7.033 ( -2.426 2.708 -3.165) 4.821 7.128 ( 0.022 -3.221 4.447) 5.491 7.178 ( -0.581 -2.045 2.033) 2.942 7.201 ( 3.191 2.373 -2.322) 4.605 7.238 ( 0.317 -0.315 -2.732) 2.768 7.355 ( 2.269 4.019 2.034) 5.044 7.419 ( -4.487 2.823 -3.672) 6.448 7.475 ( 2.276 -5.385 1.678) 6.082 7.503 ( -2.910 -2.131 -1.052) 3.757 7.521 ( 4.907 1.489 2.101) 5.542 7.546 ( -2.003 -0.976 0.206) 2.237 7.622 ( 3.296 1.195 0.924) 3.626 7.644 ( -3.336 -0.843 -0.094) 3.443 7.739 ( -2.262 -6.783 1.748) 7.361 7.792 ( 1.977 -8.260 -1.989) 8.723 7.895 ( -0.393 -2.308 1.896) 3.013 7.948 ( 0.360 -5.786 -2.737) 6.411 8.273 ( -0.735 2.453 1.405) 2.921 8.311 ( 0.811 0.251 -2.104) 2.268 8.374 ( -2.046 -4.808 0.472) 5.247 8.381 ( 1.962 -5.536 -0.308) 5.881 9.131 ( 1.373 0.812 0.619) 1.712 9.140 ( -1.551 0.552 0.074) 1.648 9.165 ( -0.589 0.158 0.534) 0.811 9.187 ( 0.808 -1.415 -1.179) 2.011 18.773 ( 1.306 0.149 0.014) 1.315 18.774 ( -0.904 0.097 -0.035) 0.909 18.780 ( -3.761 -0.247 0.062) 3.769 18.781 ( 3.353 -0.341 -0.029) 3.370 19.125 ( 0.014 0.165 0.117) 0.202 19.128 ( 0.019 -0.013 -0.107) 0.109 19.134 ( -0.008 0.000 0.123) 0.124 19.137 ( -0.034 -0.228 -0.143) 0.272 19.245 ( -0.004 -0.148 0.017) 0.149 19.245 ( 0.005 -0.183 -0.004) 0.183 19.271 ( 0.065 0.079 0.052) 0.114 19.273 ( -0.111 -0.136 -0.160) 0.237 19.291 ( 0.131 0.249 0.205) 0.348 19.295 ( -0.103 -0.052 -0.109) 0.159 19.309 ( 0.024 -0.049 0.099) 0.113 19.311 ( -0.003 -0.198 -0.053) 0.205 19.482 ( 0.076 0.138 0.074) 0.174 19.484 ( -0.048 0.102 -0.029) 0.116 19.486 ( 0.165 -0.055 0.073) 0.189 19.489 ( -0.181 -0.207 -0.162) 0.319 19.516 ( 0.021 0.210 0.063) 0.220 19.517 ( -0.037 0.153 -0.077) 0.175 19.521 ( 0.006 -0.198 0.087) 0.217 19.522 ( 0.010 -0.230 -0.045) 0.235 19.645 ( -0.009 0.433 0.029) 0.434 19.646 ( 0.010 0.424 -0.033) 0.425 19.651 ( 0.047 -0.063 0.020) 0.081 19.652 ( -0.046 -0.057 -0.020) 0.076 19.742 ( -0.044 0.026 0.028) 0.058 19.743 ( 0.045 -0.039 -0.034) 0.069 19.765 ( -0.082 -0.020 0.026) 0.088 19.766 ( 0.081 -0.077 -0.026) 0.115 37.948 ( -0.125 0.164 0.107) 0.232 37.948 ( -0.117 0.123 0.099) 0.197 37.952 ( 0.192 0.181 -0.098) 0.282 37.952 ( 0.074 0.147 -0.102) 0.194 38.000 ( -0.133 -0.122 0.082) 0.198 38.001 ( -0.030 -0.126 0.067) 0.146 38.005 ( 0.050 -0.165 -0.039) 0.176 38.005 ( 0.126 -0.196 -0.086) 0.248 38.068 ( -0.090 0.440 0.073) 0.455 38.070 ( -0.068 0.317 -0.154) 0.359 38.076 ( 0.163 0.031 0.102) 0.195 38.078 ( 0.031 -0.024 -0.053) 0.066 38.308 ( 0.005 0.246 0.211) 0.324 38.311 ( -0.021 0.063 0.096) 0.117 38.319 ( -0.076 0.170 -0.109) 0.215 38.321 ( 0.091 -0.007 -0.215) 0.234 60.672 ( 1.348 3.992 0.694) 4.270 60.695 ( -1.768 4.005 -1.421) 4.603 60.753 ( 1.374 -3.467 0.864) 3.828 60.776 ( -1.387 -3.553 -1.330) 4.039 61.104 ( -1.048 2.739 0.283) 2.946 61.111 ( 0.955 2.087 -0.372) 2.325 61.236 ( 1.608 4.559 2.498) 5.442 61.280 ( -0.758 0.936 -1.525) 1.944 61.372 ( 3.383 2.204 2.719) 4.868 61.442 ( -4.715 0.591 -3.507) 5.906 61.514 ( 3.403 -6.234 2.348) 7.480 61.566 ( -1.626 -7.112 -2.391) 7.677 61.925 ( -1.994 2.979 2.822) 4.562 61.968 ( -2.512 -0.503 1.898) 3.188 62.015 ( 1.365 3.229 -0.182) 3.511 62.080 ( 2.362 -2.356 -3.466) 4.810 ======================= Grid point 69 (37/39) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -7.250 3.069 -1.168) 7.959 1.348 ( -3.528 -1.457 0.205) 3.822 1.538 ( -1.048 1.224 2.108) 2.654 1.574 ( -5.728 -1.640 1.694) 6.194 1.612 ( -7.482 3.173 2.895) 8.627 1.672 ( -4.510 -2.807 1.614) 5.552 1.716 ( -6.409 1.329 2.357) 6.956 1.805 ( -6.377 -5.099 3.342) 8.823 1.862 ( 1.083 4.452 -4.495) 6.418 1.877 ( -2.728 1.909 0.354) 3.348 1.916 ( -2.322 -1.337 -1.013) 2.865 1.963 ( -0.996 -3.973 -3.027) 5.094 2.002 ( 3.185 1.678 -2.158) 4.197 2.030 ( 3.445 -1.090 -3.213) 4.835 2.117 ( 0.689 2.370 2.658) 3.627 2.129 ( 0.883 -0.273 -0.131) 0.933 2.174 ( 5.702 1.863 -0.415) 6.013 2.225 ( 5.455 -2.449 -0.017) 5.979 2.278 ( -0.707 4.690 -0.252) 4.750 2.350 ( 5.780 1.667 -3.379) 6.900 2.392 ( 2.191 0.026 -0.938) 2.384 2.421 ( 4.336 -0.595 -3.153) 5.394 2.471 ( 0.247 -0.592 2.862) 2.933 2.537 ( -0.815 -3.287 3.029) 4.543 2.911 ( -3.927 1.960 2.107) 4.869 2.940 ( -5.348 -0.426 2.449) 5.897 2.978 ( -2.557 2.899 -1.989) 4.347 3.015 ( -3.973 0.627 -3.423) 5.282 3.051 ( -6.626 2.643 -0.598) 7.159 3.104 ( -5.223 -1.329 -0.950) 5.473 3.146 ( -1.704 1.169 1.372) 2.480 3.190 ( -2.069 -2.237 1.415) 3.359 3.383 ( -3.766 3.087 -0.403) 4.886 3.397 ( -2.874 2.022 0.591) 3.564 3.439 ( -4.206 2.453 0.376) 4.884 3.496 ( -1.459 -1.658 -0.415) 2.247 3.744 ( -11.487 3.202 0.600) 11.939 3.814 ( -8.878 -1.662 4.114) 9.925 3.852 ( -7.887 1.027 0.924) 8.007 3.900 ( -10.099 -3.609 -1.433) 10.820 3.957 ( -11.317 1.149 -1.514) 11.476 3.982 ( -14.707 -0.600 -1.838) 14.833 4.112 ( 3.669 5.286 -1.266) 6.558 4.180 ( 3.702 -0.927 -0.868) 3.914 4.255 ( 5.505 9.197 -0.658) 10.739 4.381 ( 5.377 2.311 4.564) 7.421 4.434 ( 6.877 -1.315 -2.630) 7.480 4.485 ( -2.514 -0.593 1.516) 2.995 4.516 ( -0.130 -2.088 2.891) 3.568 4.532 ( -2.348 -1.583 -1.867) 3.392 4.644 ( -2.180 0.477 -1.251) 2.558 4.668 ( 0.825 -1.272 -2.611) 3.019 4.700 ( -2.519 1.619 0.627) 3.059 4.735 ( 1.427 -0.408 0.479) 1.560 4.760 ( -0.936 -2.346 -0.361) 2.552 4.765 ( -0.859 -3.750 0.600) 3.893 4.840 ( -3.878 2.669 -1.289) 4.881 4.878 ( -2.293 -2.090 -0.541) 3.149 4.892 ( -1.537 0.992 -0.661) 1.945 4.942 ( 0.344 -1.200 0.283) 1.280 4.988 ( 1.650 0.167 3.302) 3.695 5.010 ( -0.550 -0.390 2.046) 2.155 5.050 ( 0.293 1.366 -1.327) 1.927 5.092 ( 1.536 -0.967 -0.311) 1.841 5.128 ( 1.905 -0.975 -2.972) 3.663 5.155 ( 3.349 -2.500 -1.277) 4.370 5.176 ( 2.587 -0.240 -0.080) 2.599 5.193 ( 1.979 0.412 1.636) 2.601 5.247 ( 0.310 -1.048 1.240) 1.653 5.254 ( -0.703 -2.218 -1.509) 2.773 5.306 ( 2.037 0.997 1.093) 2.518 5.339 ( 2.193 -1.692 2.488) 3.723 5.387 ( -1.142 1.234 -0.860) 1.889 5.396 ( -0.478 0.891 -0.667) 1.211 5.417 ( 0.031 -0.357 0.123) 0.379 5.449 ( 0.427 -1.904 -1.761) 2.628 5.503 ( -2.024 2.813 0.977) 3.600 5.524 ( 3.825 0.005 0.480) 3.855 5.554 ( 5.786 1.658 -0.731) 6.063 5.560 ( 4.449 0.846 -0.346) 4.542 5.579 ( 2.412 1.598 1.047) 3.077 5.621 ( 2.240 -0.137 -0.797) 2.381 5.647 ( -0.731 3.981 -0.367) 4.064 5.675 ( 3.792 1.194 0.296) 3.987 5.750 ( 2.157 0.805 2.193) 3.180 5.753 ( 1.604 -1.990 -0.930) 2.720 5.758 ( 2.348 -2.713 2.123) 4.169 5.796 ( 2.170 -2.066 -0.379) 3.020 5.870 ( 2.157 0.445 -1.710) 2.788 5.889 ( 3.082 -2.163 0.540) 3.804 5.913 ( 0.052 0.028 1.249) 1.251 5.944 ( 1.423 -2.475 -3.312) 4.373 6.016 ( -1.219 1.874 -0.315) 2.258 6.057 ( -0.542 -0.665 -1.185) 1.463 6.061 ( 0.083 -0.439 -1.121) 1.207 6.078 ( -0.660 -1.648 1.028) 2.051 6.169 ( -3.595 3.724 1.427) 5.369 6.179 ( 0.814 1.309 -0.489) 1.617 6.213 ( -0.684 0.829 1.544) 1.881 6.274 ( -2.640 -2.495 2.360) 4.332 6.302 ( -0.369 1.604 0.214) 1.660 6.383 ( -0.313 -3.551 -0.613) 3.617 6.396 ( 0.911 2.929 0.167) 3.072 6.440 ( 2.247 -0.015 -0.444) 2.291 6.542 ( 1.107 4.529 4.404) 6.413 6.592 ( -0.091 1.376 -0.285) 1.408 6.634 ( 0.561 -1.213 -1.151) 1.764 6.642 ( -0.767 -0.645 -3.322) 3.470 6.672 ( -3.230 -0.547 -6.343) 7.139 6.690 ( -2.865 -2.831 -1.280) 4.226 6.839 ( -0.727 4.584 4.522) 6.480 6.866 ( -4.041 5.064 0.529) 6.500 6.875 ( 1.270 2.245 5.341) 5.931 6.920 ( -2.501 1.649 -0.596) 3.055 6.968 ( -1.875 6.956 -0.558) 7.226 7.030 ( -0.620 8.153 1.222) 8.267 7.107 ( -3.734 -3.246 -0.578) 4.982 7.146 ( -3.892 2.971 -1.534) 5.131 7.212 ( 1.050 -2.803 -1.074) 3.180 7.221 ( -0.338 -7.241 -0.048) 7.249 7.339 ( 0.884 0.061 -0.487) 1.011 7.407 ( -2.521 -2.767 -0.053) 3.744 7.437 ( 1.760 3.832 0.436) 4.239 7.490 ( -0.524 -0.406 -0.160) 0.682 7.512 ( -0.819 2.270 -0.219) 2.424 7.604 ( -0.178 -3.869 -1.876) 4.303 7.636 ( 3.663 -2.182 0.950) 4.368 7.732 ( 1.379 -7.889 1.351) 8.122 7.804 ( 8.341 2.558 2.295) 9.021 7.898 ( 8.759 1.033 -2.221) 9.096 7.931 ( 4.168 -6.418 1.528) 7.804 8.011 ( 7.526 -6.505 -1.136) 10.012 8.309 ( 5.295 3.576 0.406) 6.402 8.400 ( 6.235 -3.779 -0.684) 7.323 8.428 ( 8.337 0.133 -0.151) 8.340 8.482 ( 7.458 -4.252 -0.007) 8.585 8.948 ( -8.839 1.786 -0.161) 9.019 8.983 ( -8.759 -1.270 0.134) 8.852 9.339 ( 9.744 1.091 -0.030) 9.805 9.370 ( 9.584 -1.642 -0.050) 9.724 18.620 ( -8.210 0.259 -0.050) 8.214 18.630 ( -7.952 -0.682 0.074) 7.982 18.900 ( 5.386 0.105 0.004) 5.387 18.902 ( 5.291 -0.156 -0.004) 5.293 19.124 ( -0.245 0.155 0.010) 0.290 19.125 ( -0.179 0.062 -0.072) 0.202 19.132 ( -0.263 -0.065 0.035) 0.273 19.135 ( -0.140 -0.260 0.045) 0.299 19.243 ( -0.184 -0.139 0.013) 0.231 19.243 ( -0.171 -0.173 -0.000) 0.244 19.272 ( 0.089 0.102 -0.075) 0.155 19.275 ( 0.227 -0.162 0.126) 0.306 19.291 ( -0.104 0.261 -0.120) 0.305 19.296 ( 0.118 -0.154 0.096) 0.217 19.310 ( -0.009 -0.119 -0.079) 0.143 19.310 ( 0.019 -0.076 0.051) 0.093 19.479 ( -0.238 0.200 -0.086) 0.323 19.482 ( -0.200 -0.047 -0.036) 0.208 19.485 ( -0.049 0.120 -0.120) 0.177 19.490 ( 0.078 -0.333 0.204) 0.398 19.517 ( 0.153 0.210 -0.036) 0.262 19.520 ( 0.215 0.065 0.051) 0.231 19.522 ( 0.146 -0.145 -0.004) 0.206 19.524 ( 0.173 -0.177 -0.008) 0.247 19.643 ( -0.031 0.590 -0.005) 0.591 19.647 ( -0.072 0.380 -0.002) 0.387 19.652 ( 0.321 0.023 -0.007) 0.322 19.657 ( 0.298 -0.216 0.006) 0.368 19.734 ( -0.630 0.034 0.009) 0.631 19.735 ( -0.629 -0.081 -0.009) 0.634 19.772 ( 0.595 0.128 -0.003) 0.608 19.775 ( 0.680 -0.155 -0.003) 0.697 37.939 ( -0.637 0.083 0.032) 0.643 37.940 ( -0.588 -0.031 0.082) 0.594 37.950 ( -0.291 0.114 -0.054) 0.317 37.950 ( -0.241 0.047 -0.061) 0.253 37.999 ( -0.061 -0.068 0.146) 0.172 38.001 ( 0.017 -0.188 0.122) 0.225 38.008 ( 0.308 -0.026 -0.157) 0.347 38.010 ( 0.352 -0.215 -0.162) 0.443 38.068 ( 0.094 0.505 0.189) 0.548 38.075 ( 0.179 -0.102 0.207) 0.292 38.080 ( 0.499 0.574 -0.339) 0.832 38.085 ( 0.556 0.044 -0.189) 0.589 38.286 ( -1.220 0.199 0.032) 1.237 38.289 ( -1.328 -0.027 0.003) 1.329 38.341 ( 1.424 0.389 -0.005) 1.476 38.346 ( 1.397 -0.081 -0.043) 1.400 60.632 ( -3.068 3.679 -0.675) 4.838 60.692 ( -0.708 4.285 1.101) 4.480 60.707 ( -3.283 -3.513 -0.534) 4.838 60.775 ( -0.974 -3.448 0.520) 3.620 61.038 ( -5.502 3.328 -0.040) 6.430 61.077 ( -4.278 -0.478 -0.457) 4.329 61.188 ( -4.803 2.203 0.600) 5.318 61.230 ( -4.938 -0.349 0.048) 4.950 61.319 ( -2.933 6.243 -4.257) 8.105 61.434 ( -4.320 -3.573 -1.292) 5.753 61.508 ( -0.831 2.121 1.303) 2.624 61.587 ( -3.815 -4.685 4.526) 7.549 61.724 ( -2.517 2.100 -2.068) 3.876 61.827 ( 0.318 -7.238 2.130) 7.551 62.297 ( 17.402 8.087 -0.371) 19.193 62.418 ( 19.754 -3.411 -0.546) 20.054 ======================= Grid point 70 (38/39) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -8.160 11.868 1.159) 14.449 1.324 ( -1.915 -2.045 3.628) 4.584 1.364 ( -14.558 3.571 10.205) 18.134 1.473 ( -11.921 -1.653 2.997) 12.403 1.517 ( -3.405 2.913 -2.232) 5.006 1.592 ( -1.923 1.580 -1.034) 2.695 1.615 ( -3.081 -3.095 -2.975) 5.285 1.688 ( -6.718 -7.239 3.803) 10.583 1.751 ( -4.649 2.641 -7.448) 9.169 1.805 ( -2.803 -2.149 -3.086) 4.690 1.901 ( -0.811 0.679 -1.737) 2.034 1.929 ( 1.492 -2.144 -0.379) 2.639 2.061 ( 1.124 3.910 -1.440) 4.315 2.091 ( 2.515 1.150 0.011) 2.766 2.160 ( 3.296 0.980 1.310) 3.679 2.188 ( 4.837 -0.856 -0.095) 4.913 2.296 ( 3.513 0.341 -0.400) 3.552 2.315 ( 0.595 -1.234 0.557) 1.479 2.326 ( 6.159 1.510 -1.127) 6.441 2.357 ( 3.923 -1.193 -0.428) 4.123 2.469 ( 3.713 3.528 -1.705) 5.398 2.480 ( 2.608 2.015 -1.634) 3.678 2.524 ( 2.555 0.270 1.162) 2.820 2.541 ( 0.676 -0.223 1.823) 1.957 2.811 ( -8.427 0.813 0.355) 8.474 2.834 ( -4.912 0.063 0.931) 4.999 2.865 ( -6.482 2.261 -0.605) 6.892 2.887 ( -7.713 1.125 -0.091) 7.795 2.909 ( -4.305 3.566 -1.694) 5.841 2.999 ( -4.450 -2.848 -0.823) 5.347 3.094 ( -4.151 0.938 0.916) 4.353 3.122 ( -5.287 -0.778 -0.176) 5.347 3.276 ( -7.950 1.697 2.112) 8.399 3.315 ( -5.504 0.522 0.195) 5.532 3.328 ( -6.992 1.118 -0.216) 7.084 3.418 ( -7.058 -6.269 -0.240) 9.443 3.480 ( -10.148 7.277 -4.732) 13.354 3.623 ( -13.898 1.433 2.960) 14.282 3.670 ( -8.442 -5.765 2.792) 10.598 3.689 ( -9.436 -5.370 -0.724) 10.882 3.796 ( -2.862 2.296 0.621) 3.722 3.854 ( -1.645 -3.864 1.799) 4.569 4.169 ( 3.045 5.615 -0.898) 6.450 4.220 ( 2.221 1.340 -4.345) 5.061 4.313 ( 0.373 11.309 -1.644) 11.434 4.363 ( -2.293 6.135 3.661) 7.503 4.448 ( -0.320 1.259 -1.988) 2.375 4.505 ( -1.647 1.103 1.972) 2.796 4.519 ( -0.994 -3.905 -1.980) 4.490 4.543 ( -2.078 -2.810 2.399) 4.239 4.596 ( -0.421 2.557 2.792) 3.809 4.619 ( -2.913 3.100 0.994) 4.368 4.694 ( -2.208 -0.805 -3.163) 3.941 4.707 ( -2.581 1.833 -1.378) 3.452 4.722 ( 0.091 -0.091 2.214) 2.217 4.747 ( 0.514 -0.477 0.913) 1.151 4.814 ( 2.101 -5.759 0.247) 6.135 4.870 ( 1.484 -2.674 2.158) 3.743 4.918 ( -0.032 -1.507 -0.658) 1.645 4.947 ( -0.119 -0.222 0.959) 0.991 4.996 ( 3.425 -1.445 0.432) 3.742 5.050 ( -1.762 -0.383 -0.280) 1.824 5.071 ( 1.084 2.745 -0.187) 2.957 5.119 ( -0.043 2.089 -3.874) 4.402 5.136 ( 1.894 1.510 2.076) 3.190 5.161 ( 0.613 -2.248 -0.594) 2.405 5.171 ( 0.327 -2.142 -1.833) 2.838 5.219 ( -0.005 -4.909 3.072) 5.792 5.297 ( 0.620 -0.590 -1.274) 1.535 5.316 ( 1.873 -0.497 -1.338) 2.355 5.349 ( 2.711 1.664 -0.344) 3.199 5.353 ( -0.803 0.295 -0.593) 1.041 5.404 ( -1.903 -1.381 -1.817) 2.972 5.410 ( 3.479 -0.868 0.020) 3.585 5.425 ( 0.908 -1.196 2.182) 2.649 5.433 ( -0.813 -2.869 1.880) 3.525 5.481 ( 0.533 1.868 -0.364) 1.976 5.505 ( 0.928 -0.438 -3.199) 3.359 5.551 ( -0.664 3.525 -1.129) 3.760 5.609 ( -0.217 -0.289 -0.449) 0.576 5.620 ( 1.611 0.562 1.433) 2.228 5.659 ( 1.749 2.095 -0.783) 2.839 5.702 ( 0.785 -1.066 0.312) 1.360 5.753 ( 0.813 -2.919 -0.904) 3.162 5.767 ( 2.455 2.819 -0.110) 3.740 5.826 ( 4.150 1.178 2.193) 4.839 5.842 ( 4.634 1.696 -1.685) 5.214 5.882 ( 0.784 -2.690 -0.509) 2.848 5.907 ( -0.041 -1.117 0.933) 1.456 5.910 ( -2.010 -1.328 4.651) 5.238 5.948 ( 2.731 1.373 -1.016) 3.221 5.978 ( 2.087 -2.603 0.100) 3.338 5.983 ( 2.044 2.012 -1.632) 3.300 6.038 ( 0.739 -3.070 -0.583) 3.211 6.046 ( -1.871 1.599 -1.482) 2.873 6.069 ( -1.756 0.200 -0.883) 1.975 6.143 ( -0.753 0.531 -0.091) 0.926 6.174 ( 2.720 4.746 1.989) 5.820 6.210 ( -0.106 -2.463 -2.329) 3.391 6.278 ( -0.133 -2.957 -0.482) 2.999 6.321 ( 1.933 2.189 2.641) 3.938 6.387 ( 0.916 -0.658 -1.570) 1.933 6.409 ( 0.635 -1.595 3.753) 4.127 6.458 ( -0.246 -3.056 2.105) 3.719 6.549 ( -4.277 -0.052 -2.833) 5.130 6.561 ( -2.030 0.432 -2.267) 3.073 6.575 ( -1.792 -0.994 -3.710) 4.238 6.581 ( -2.471 -0.088 0.396) 2.504 6.615 ( 1.592 2.569 2.315) 3.807 6.679 ( -0.125 -3.215 0.699) 3.293 6.773 ( -3.444 3.931 2.110) 5.636 6.850 ( -3.576 -2.748 1.654) 4.804 6.875 ( -0.217 6.561 1.834) 6.816 6.926 ( -2.068 3.869 -0.646) 4.435 6.961 ( 1.561 4.477 2.274) 5.259 7.004 ( -1.454 2.573 -0.220) 2.964 7.025 ( 0.104 6.457 -0.269) 6.463 7.139 ( 0.709 -1.206 0.235) 1.419 7.171 ( -1.191 -4.371 -1.638) 4.817 7.215 ( -1.318 -6.352 -0.943) 6.556 7.349 ( 0.668 3.676 -0.440) 3.762 7.405 ( 1.209 -1.222 -1.700) 2.418 7.465 ( -0.900 -0.095 1.565) 1.808 7.490 ( 0.387 -1.888 -1.055) 2.197 7.516 ( 2.100 1.563 1.555) 3.045 7.583 ( -1.181 -3.339 -0.394) 3.563 7.667 ( -0.415 -1.492 -1.160) 1.935 7.757 ( 0.719 -8.567 -0.765) 8.631 7.958 ( 6.928 4.122 1.904) 8.283 8.060 ( 8.333 -4.241 2.367) 9.646 8.121 ( 12.160 2.275 -1.474) 12.458 8.219 ( 12.562 -5.714 -0.710) 13.819 8.475 ( 9.174 4.899 0.986) 10.447 8.558 ( 8.891 -1.589 -1.258) 9.119 8.629 ( 10.683 -0.493 -0.398) 10.701 8.646 ( 7.650 -2.198 1.022) 8.025 8.796 ( -4.865 2.419 -1.154) 5.555 8.838 ( -5.173 -1.861 0.814) 5.557 9.517 ( 7.942 0.618 -0.181) 7.968 9.543 ( 7.495 -1.760 0.031) 7.699 18.457 ( -7.815 0.383 -0.029) 7.825 18.472 ( -7.712 -1.116 0.021) 7.792 18.988 ( 3.479 0.076 0.002) 3.480 18.989 ( 3.457 -0.082 -0.002) 3.458 19.117 ( -0.309 0.199 -0.024) 0.369 19.120 ( -0.277 0.002 0.013) 0.277 19.126 ( -0.380 0.023 -0.018) 0.381 19.131 ( -0.338 -0.410 0.059) 0.535 19.238 ( -0.334 -0.120 0.009) 0.355 19.238 ( -0.326 -0.163 -0.001) 0.365 19.274 ( 0.174 0.173 -0.008) 0.246 19.280 ( 0.148 -0.348 0.060) 0.383 19.289 ( -0.016 0.352 -0.054) 0.356 19.296 ( -0.125 -0.349 -0.073) 0.378 19.310 ( 0.076 0.042 -0.014) 0.088 19.311 ( 0.027 0.004 0.008) 0.029 19.474 ( -0.193 0.229 -0.028) 0.300 19.478 ( -0.136 -0.140 -0.070) 0.207 19.484 ( -0.076 0.307 -0.004) 0.316 19.492 ( 0.001 -0.559 0.130) 0.574 19.521 ( 0.242 0.177 -0.021) 0.301 19.524 ( 0.203 -0.118 0.016) 0.236 19.526 ( 0.210 0.003 -0.012) 0.210 19.527 ( 0.152 -0.086 -0.011) 0.175 19.645 ( 0.195 0.763 -0.013) 0.787 19.649 ( 0.270 0.574 -0.012) 0.634 19.659 ( 0.287 -0.161 0.002) 0.329 19.663 ( 0.246 -0.340 -0.008) 0.420 19.722 ( -0.538 0.043 0.009) 0.539 19.723 ( -0.534 -0.068 -0.007) 0.538 19.784 ( 0.549 0.236 0.024) 0.598 19.789 ( 0.630 -0.196 -0.024) 0.660 37.928 ( -0.440 -0.059 -0.050) 0.447 37.930 ( -0.467 -0.254 -0.012) 0.532 37.943 ( -0.272 0.045 -0.036) 0.278 37.945 ( -0.247 -0.129 0.064) 0.286 37.999 ( -0.194 -0.036 0.347) 0.399 38.002 ( -0.133 -0.238 0.239) 0.363 38.012 ( 0.197 0.036 -0.399) 0.447 38.014 ( 0.218 -0.188 -0.415) 0.505 38.073 ( 0.178 0.524 0.108) 0.564 38.078 ( 0.130 0.054 -0.151) 0.206 38.088 ( 0.398 0.656 -0.027) 0.768 38.093 ( 0.343 0.184 -0.099) 0.402 38.264 ( -1.064 0.058 -0.076) 1.068 38.265 ( -0.974 0.015 0.015) 0.974 38.369 ( 1.351 0.387 0.034) 1.406 38.372 ( 1.231 0.091 0.009) 1.234 60.574 ( -2.410 3.812 0.585) 4.548 60.643 ( -2.588 -0.209 -0.205) 2.604 60.664 ( -3.114 0.036 1.622) 3.511 60.722 ( -3.973 -2.858 -0.303) 4.903 60.901 ( -7.575 2.909 0.006) 8.114 60.950 ( -7.374 -1.926 -0.252) 7.626 61.123 ( -3.982 1.012 2.792) 4.968 61.130 ( -4.408 1.120 1.921) 4.937 61.193 ( -6.112 1.452 -4.622) 7.799 61.221 ( -9.397 -1.183 -4.746) 10.594 61.452 ( -2.040 8.870 -1.042) 9.161 61.623 ( 1.946 -7.619 2.406) 8.224 61.792 ( 7.866 5.483 -0.953) 9.635 61.961 ( 7.110 -10.478 4.765) 13.530 62.643 ( 17.287 11.395 -0.536) 20.712 62.803 ( 19.214 -3.831 -1.424) 19.644 ======================= Grid point 71 (39/39) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -6.962 16.597 3.379) 18.312 1.131 ( -13.595 12.642 14.145) 23.339 1.234 ( -11.275 0.742 -1.107) 11.353 1.349 ( -0.243 -10.786 -3.680) 11.399 1.427 ( -3.206 -2.893 -2.257) 4.872 1.507 ( -1.314 0.125 -0.210) 1.336 1.550 ( -2.025 2.148 -4.519) 5.398 1.638 ( -0.834 -0.685 4.180) 4.317 1.667 ( -1.273 0.788 -2.071) 2.556 1.763 ( 1.242 -7.381 -2.577) 7.916 1.857 ( -3.277 6.289 0.403) 7.103 1.937 ( -1.957 3.206 4.528) 5.883 2.065 ( 1.236 2.871 -0.867) 3.244 2.128 ( 1.402 -1.300 -1.650) 2.526 2.204 ( 1.324 2.754 -1.181) 3.276 2.243 ( 0.840 0.338 -1.985) 2.182 2.327 ( 1.819 1.747 0.032) 2.522 2.388 ( 5.178 -2.572 0.286) 5.789 2.414 ( 0.968 1.088 -0.485) 1.535 2.444 ( 3.507 1.460 1.653) 4.142 2.525 ( 3.647 2.754 -1.160) 4.716 2.538 ( 5.099 0.229 -2.199) 5.558 2.576 ( 2.509 0.528 -0.653) 2.645 2.586 ( 2.909 -0.060 -1.035) 3.088 2.691 ( -5.526 -0.617 2.084) 5.938 2.706 ( -4.218 -1.662 -1.523) 4.782 2.762 ( -3.587 2.489 0.684) 4.420 2.784 ( -4.226 0.598 1.253) 4.449 2.838 ( -1.257 4.278 -0.836) 4.536 2.919 ( -3.224 -1.860 0.244) 3.731 2.980 ( -5.977 2.311 -3.801) 7.450 3.018 ( -3.148 0.229 -1.202) 3.377 3.098 ( -9.651 -1.339 0.414) 9.752 3.150 ( -8.901 -4.479 -0.730) 9.991 3.206 ( -5.849 1.825 0.834) 6.184 3.239 ( -8.858 -1.156 -0.224) 8.936 3.304 ( -4.677 4.992 -2.396) 7.248 3.456 ( -5.347 -4.746 0.825) 7.197 3.515 ( -6.983 -0.923 4.061) 8.130 3.586 ( -2.888 -9.733 -0.076) 10.153 3.793 ( 0.627 3.389 3.341) 4.800 3.868 ( 0.591 -4.401 3.471) 5.636 4.209 ( 1.197 4.236 -3.485) 5.614 4.219 ( 1.407 2.811 -5.551) 6.379 4.290 ( -0.737 11.644 1.051) 11.714 4.357 ( -1.676 6.149 0.680) 6.410 4.414 ( -2.650 3.182 2.809) 5.004 4.440 ( -5.428 0.322 0.650) 5.476 4.457 ( -0.047 -3.969 -2.538) 4.711 4.501 ( -1.836 -3.166 -0.345) 3.676 4.606 ( -0.585 1.176 1.071) 1.695 4.630 ( -1.186 3.659 -1.824) 4.257 4.651 ( 2.207 4.666 2.237) 5.626 4.709 ( 0.122 4.008 1.891) 4.434 4.719 ( 1.732 2.799 1.433) 3.590 4.807 ( 0.851 -5.442 1.903) 5.827 4.824 ( -0.527 -0.365 0.362) 0.736 4.896 ( -0.447 -3.225 2.527) 4.122 4.930 ( 1.525 -3.352 0.831) 3.775 4.959 ( -0.120 -2.821 0.161) 2.828 5.043 ( 2.979 1.728 0.504) 3.480 5.055 ( 0.407 -0.352 0.450) 0.702 5.064 ( -0.022 2.249 -1.054) 2.483 5.126 ( 1.366 0.308 -1.823) 2.299 5.151 ( -0.816 -1.468 -1.581) 2.306 5.162 ( -0.905 1.029 2.546) 2.891 5.186 ( -0.206 -3.912 -0.860) 4.011 5.206 ( -1.730 0.651 0.421) 1.896 5.258 ( -1.743 -1.823 -2.487) 3.542 5.282 ( -1.647 -5.695 -2.404) 6.398 5.326 ( 0.289 0.198 -1.471) 1.512 5.355 ( -0.672 -2.925 -0.697) 3.081 5.393 ( -1.609 -0.358 -0.414) 1.699 5.408 ( 0.154 0.141 1.236) 1.253 5.432 ( 0.238 0.074 -1.604) 1.624 5.455 ( 1.550 0.119 -0.197) 1.566 5.510 ( 2.130 2.023 -0.124) 2.940 5.529 ( 0.699 0.806 0.126) 1.074 5.565 ( 2.413 1.922 -2.616) 4.045 5.618 ( 1.006 -1.194 -1.245) 1.997 5.651 ( -1.031 0.550 4.131) 4.293 5.669 ( -0.558 -0.016 3.560) 3.603 5.705 ( -2.222 -2.900 -1.495) 3.948 5.736 ( -0.122 -2.539 -2.373) 3.477 5.779 ( -0.432 4.595 -0.712) 4.670 5.803 ( -3.557 0.351 -2.135) 4.164 5.849 ( -1.991 2.208 -1.514) 3.337 5.862 ( -0.474 0.056 -0.605) 0.771 5.899 ( -1.139 -2.572 1.681) 3.277 5.914 ( 0.203 -3.960 0.179) 3.969 5.961 ( 1.188 3.924 -0.148) 4.103 6.001 ( 2.242 -1.058 0.832) 2.615 6.028 ( -0.319 2.019 3.180) 3.781 6.046 ( 0.945 0.995 0.455) 1.446 6.077 ( 1.973 -0.590 1.181) 2.374 6.137 ( 3.744 -3.317 1.866) 5.338 6.147 ( 2.751 -1.758 -2.471) 4.094 6.168 ( 0.585 -3.152 -2.066) 3.814 6.262 ( 2.475 0.107 -1.022) 2.679 6.277 ( -1.119 -1.819 -1.206) 2.453 6.293 ( -0.858 5.656 -0.629) 5.755 6.394 ( -1.673 -1.840 1.085) 2.713 6.424 ( -1.832 -0.423 -1.733) 2.556 6.450 ( 0.306 -1.316 -0.201) 1.366 6.512 ( -1.398 -0.179 -1.165) 1.829 6.535 ( -0.541 -0.867 1.072) 1.481 6.565 ( 3.023 -1.574 2.871) 4.456 6.576 ( 1.762 -1.345 1.122) 2.484 6.643 ( -1.086 1.700 2.919) 3.548 6.686 ( -1.193 -1.086 4.627) 4.900 6.737 ( -0.790 1.351 -0.578) 1.668 6.777 ( -2.984 -1.118 0.909) 3.314 6.890 ( 1.630 3.695 -0.349) 4.054 6.919 ( 0.264 1.643 0.078) 1.666 6.976 ( 0.866 4.738 -1.013) 4.922 7.012 ( 2.067 3.052 -1.055) 3.835 7.041 ( -0.152 4.992 1.380) 5.182 7.130 ( -0.883 -1.624 -0.386) 1.889 7.180 ( 0.276 -2.250 1.779) 2.882 7.184 ( -0.730 -3.066 0.623) 3.213 7.353 ( -0.301 6.350 -0.858) 6.415 7.394 ( -0.416 0.589 -2.576) 2.675 7.445 ( -0.438 -3.724 -0.125) 3.752 7.496 ( 0.719 -4.036 -1.002) 4.220 7.539 ( -1.433 1.110 -0.428) 1.862 7.592 ( -0.083 -4.270 2.377) 4.888 7.623 ( -0.523 0.649 -0.916) 1.238 7.748 ( -0.131 -8.953 -2.676) 9.345 8.146 ( 9.342 3.961 2.800) 10.526 8.243 ( 8.743 -5.433 0.687) 10.316 8.335 ( 8.545 5.798 0.332) 10.332 8.435 ( 9.093 -3.716 -2.821) 10.220 8.542 ( -5.245 2.613 -1.146) 5.970 8.599 ( -3.872 -2.987 0.889) 4.970 8.724 ( 2.673 5.423 1.361) 6.197 8.785 ( 6.062 1.947 -0.808) 6.418 8.861 ( 8.360 -1.161 -0.963) 8.495 8.918 ( 9.478 -6.693 1.213) 11.666 9.644 ( 4.804 0.104 -0.282) 4.813 9.660 ( 4.241 -1.338 -0.179) 4.451 18.324 ( -5.036 0.350 -0.020) 5.048 18.336 ( -5.481 -0.857 -0.081) 5.548 19.039 ( 1.699 0.080 0.017) 1.701 19.041 ( 1.699 -0.067 -0.013) 1.700 19.113 ( -0.159 0.200 0.023) 0.257 19.115 ( -0.222 0.051 0.024) 0.229 19.118 ( -0.298 -0.034 -0.028) 0.302 19.123 ( -0.430 -0.385 -0.024) 0.578 19.230 ( -0.403 -0.031 -0.022) 0.405 19.231 ( -0.314 -0.189 -0.033) 0.368 19.278 ( 0.158 0.136 0.032) 0.211 19.281 ( 0.045 -0.214 0.002) 0.218 19.289 ( 0.002 0.168 -0.000) 0.168 19.292 ( -0.204 -0.084 -0.088) 0.238 19.312 ( 0.049 0.067 0.010) 0.084 19.312 ( 0.070 0.034 0.012) 0.079 19.472 ( -0.070 0.280 0.094) 0.304 19.476 ( -0.034 -0.119 0.028) 0.127 19.483 ( -0.012 0.195 0.071) 0.208 19.492 ( -0.046 -0.705 -0.023) 0.707 19.525 ( 0.169 0.128 0.020) 0.213 19.528 ( 0.133 -0.127 -0.011) 0.184 19.529 ( 0.095 0.021 -0.037) 0.104 19.530 ( 0.088 -0.042 -0.017) 0.099 19.649 ( 0.199 0.913 0.095) 0.940 19.657 ( 0.452 0.597 -0.192) 0.773 19.663 ( 0.173 -0.415 0.041) 0.451 19.667 ( 0.185 -0.360 -0.066) 0.410 19.714 ( -0.279 0.063 0.019) 0.287 19.715 ( -0.287 -0.031 -0.013) 0.289 19.794 ( 0.339 0.270 0.107) 0.446 19.799 ( 0.392 -0.225 -0.080) 0.459 37.922 ( -0.113 -0.253 -0.068) 0.285 37.922 ( -0.217 -0.315 -0.060) 0.387 37.940 ( 0.001 0.009 -0.034) 0.036 37.942 ( -0.152 -0.160 0.132) 0.257 37.997 ( -0.312 -0.076 0.532) 0.621 37.999 ( -0.342 -0.234 0.386) 0.567 38.011 ( 0.122 0.056 -0.578) 0.594 38.013 ( 0.134 -0.195 -0.639) 0.682 38.073 ( -0.006 0.449 -0.495) 0.668 38.076 ( -0.052 0.117 -0.484) 0.500 38.096 ( 0.196 0.650 0.544) 0.870 38.099 ( 0.110 0.381 0.421) 0.578 38.246 ( -0.606 0.095 -0.082) 0.619 38.249 ( -0.552 -0.131 -0.101) 0.577 38.393 ( 0.948 0.427 0.113) 1.046 38.394 ( 0.869 0.335 0.130) 0.941 60.549 ( -0.962 3.994 1.708) 4.449 60.592 ( -2.785 2.268 0.637) 3.647 60.620 ( -1.527 -2.763 0.799) 3.256 60.642 ( -3.252 -2.567 -0.516) 4.175 60.768 ( -5.114 1.882 0.546) 5.476 60.814 ( -5.947 -2.699 1.127) 6.627 61.019 ( -4.997 2.527 -0.770) 5.653 61.044 ( -4.368 0.120 -0.793) 4.441 61.089 ( -1.304 0.906 -1.211) 1.997 61.105 ( -2.652 -0.505 -0.959) 2.865 61.444 ( 1.962 8.772 -1.418) 9.100 61.638 ( 0.394 -10.116 -4.305) 11.001 61.977 ( 8.157 5.373 4.231) 10.645 62.111 ( 3.466 -7.742 4.691) 9.693 62.951 ( 12.806 12.424 -0.112) 17.842 63.128 ( 14.302 -4.628 -4.906) 15.812 =================== 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 3/24480 10.0 139.941 120.234 102.219 0.000 13.575 0.000 3/24480 20.0 38.499 30.148 25.050 0.000 1.564 0.000 3/24480 30.0 16.964 12.886 10.958 0.000 0.628 0.000 3/24480 40.0 8.977 6.697 5.760 0.000 0.333 0.000 3/24480 50.0 5.484 4.032 3.485 0.000 0.201 0.000 3/24480 60.0 3.758 2.730 2.364 0.000 0.133 0.000 3/24480 70.0 2.803 2.017 1.746 0.000 0.096 0.000 3/24480 80.0 2.221 1.586 1.372 0.000 0.073 0.000 3/24480 90.0 1.838 1.304 1.127 0.000 0.059 0.000 3/24480 100.0 1.570 1.108 0.956 0.000 0.048 0.000 3/24480 110.0 1.373 0.965 0.831 0.000 0.041 0.000 3/24480 120.0 1.223 0.855 0.736 0.000 0.036 0.000 3/24480 130.0 1.105 0.769 0.661 0.000 0.031 0.000 3/24480 140.0 1.010 0.700 0.601 0.000 0.028 0.000 3/24480 150.0 0.932 0.643 0.551 0.000 0.025 0.000 3/24480 160.0 0.866 0.594 0.509 0.000 0.023 0.000 3/24480 170.0 0.811 0.553 0.474 0.000 0.021 0.000 3/24480 180.0 0.763 0.518 0.443 0.000 0.020 0.000 3/24480 190.0 0.721 0.487 0.416 0.000 0.018 0.000 3/24480 200.0 0.684 0.459 0.393 0.000 0.017 0.000 3/24480 210.0 0.651 0.435 0.372 0.000 0.016 0.000 3/24480 220.0 0.622 0.413 0.353 0.000 0.015 0.000 3/24480 230.0 0.595 0.394 0.336 0.000 0.014 0.000 3/24480 240.0 0.571 0.376 0.321 0.000 0.014 0.000 3/24480 250.0 0.549 0.360 0.307 0.000 0.013 0.000 3/24480 260.0 0.529 0.345 0.294 0.000 0.013 0.000 3/24480 270.0 0.510 0.331 0.283 0.000 0.012 0.000 3/24480 280.0 0.493 0.319 0.272 0.000 0.011 0.000 3/24480 290.0 0.477 0.307 0.262 0.000 0.011 0.000 3/24480 300.0 0.462 0.297 0.253 0.000 0.011 0.000 3/24480 310.0 0.448 0.287 0.244 0.000 0.010 0.000 3/24480 320.0 0.435 0.278 0.236 0.000 0.010 0.000 3/24480 330.0 0.423 0.269 0.229 0.000 0.010 0.000 3/24480 340.0 0.412 0.261 0.222 0.000 0.009 0.000 3/24480 350.0 0.401 0.253 0.216 0.000 0.009 0.000 3/24480 360.0 0.391 0.246 0.210 0.000 0.009 0.000 3/24480 370.0 0.382 0.240 0.204 0.000 0.008 0.000 3/24480 380.0 0.373 0.234 0.199 0.000 0.008 0.000 3/24480 390.0 0.365 0.228 0.194 0.000 0.008 0.000 3/24480 400.0 0.357 0.222 0.189 0.000 0.008 0.000 3/24480 410.0 0.349 0.217 0.184 0.000 0.008 0.000 3/24480 420.0 0.343 0.212 0.180 0.000 0.007 0.000 3/24480 430.0 0.336 0.207 0.176 0.000 0.007 0.000 3/24480 440.0 0.330 0.203 0.172 0.000 0.007 0.000 3/24480 450.0 0.324 0.199 0.169 0.000 0.007 0.000 3/24480 460.0 0.318 0.195 0.165 0.000 0.007 0.000 3/24480 470.0 0.313 0.191 0.162 0.000 0.007 0.000 3/24480 480.0 0.308 0.188 0.159 0.000 0.007 0.000 3/24480 490.0 0.304 0.184 0.156 0.000 0.007 0.000 3/24480 500.0 0.299 0.181 0.153 0.000 0.006 0.000 3/24480 510.0 0.295 0.178 0.151 0.000 0.006 0.000 3/24480 520.0 0.291 0.175 0.148 0.000 0.006 0.000 3/24480 530.0 0.287 0.172 0.146 0.000 0.006 0.000 3/24480 540.0 0.284 0.170 0.144 0.000 0.006 0.000 3/24480 550.0 0.281 0.167 0.141 0.000 0.006 0.000 3/24480 560.0 0.277 0.165 0.139 0.000 0.006 0.000 3/24480 570.0 0.274 0.162 0.137 0.000 0.006 0.000 3/24480 580.0 0.271 0.160 0.135 0.000 0.006 0.000 3/24480 590.0 0.269 0.158 0.134 0.000 0.006 0.000 3/24480 600.0 0.266 0.156 0.132 0.000 0.006 0.000 3/24480 610.0 0.264 0.154 0.130 0.000 0.006 0.000 3/24480 620.0 0.261 0.152 0.129 0.000 0.006 0.000 3/24480 630.0 0.259 0.151 0.127 0.000 0.006 0.000 3/24480 640.0 0.257 0.149 0.125 0.000 0.005 0.000 3/24480 650.0 0.255 0.147 0.124 0.000 0.005 0.000 3/24480 660.0 0.253 0.146 0.123 0.000 0.005 0.000 3/24480 670.0 0.251 0.144 0.121 0.000 0.005 0.000 3/24480 680.0 0.249 0.143 0.120 0.000 0.005 0.000 3/24480 690.0 0.247 0.141 0.119 0.000 0.005 0.000 3/24480 700.0 0.246 0.140 0.118 0.000 0.005 0.000 3/24480 710.0 0.244 0.138 0.116 0.000 0.005 0.000 3/24480 720.0 0.243 0.137 0.115 0.000 0.005 0.000 3/24480 730.0 0.241 0.136 0.114 0.000 0.005 0.000 3/24480 740.0 0.240 0.135 0.113 0.000 0.005 0.000 3/24480 750.0 0.238 0.134 0.112 0.000 0.005 0.000 3/24480 760.0 0.237 0.132 0.111 0.000 0.005 0.000 3/24480 770.0 0.236 0.131 0.110 0.000 0.005 0.000 3/24480 780.0 0.234 0.130 0.109 0.000 0.005 0.000 3/24480 790.0 0.233 0.129 0.108 0.000 0.005 0.000 3/24480 800.0 0.232 0.128 0.107 0.000 0.005 0.000 3/24480 810.0 0.231 0.127 0.107 0.000 0.005 0.000 3/24480 820.0 0.230 0.126 0.106 0.000 0.005 0.000 3/24480 830.0 0.229 0.125 0.105 0.000 0.005 0.000 3/24480 840.0 0.228 0.124 0.104 0.000 0.005 0.000 3/24480 850.0 0.227 0.124 0.103 0.000 0.005 0.000 3/24480 860.0 0.226 0.123 0.103 0.000 0.005 0.000 3/24480 870.0 0.225 0.122 0.102 0.000 0.005 0.000 3/24480 880.0 0.224 0.121 0.101 0.000 0.005 0.000 3/24480 890.0 0.223 0.120 0.100 0.000 0.005 0.000 3/24480 900.0 0.222 0.119 0.100 0.000 0.005 0.000 3/24480 910.0 0.221 0.119 0.099 0.000 0.005 0.000 3/24480 920.0 0.220 0.118 0.098 0.000 0.005 0.000 3/24480 930.0 0.219 0.117 0.098 0.000 0.005 0.000 3/24480 940.0 0.218 0.116 0.097 0.000 0.005 0.000 3/24480 950.0 0.217 0.116 0.097 0.000 0.005 0.000 3/24480 960.0 0.216 0.115 0.096 0.000 0.005 0.000 3/24480 970.0 0.216 0.114 0.095 0.000 0.005 0.000 3/24480 980.0 0.215 0.114 0.095 0.000 0.005 0.000 3/24480 990.0 0.214 0.113 0.094 0.000 0.005 0.000 3/24480 1000.0 0.213 0.112 0.094 0.000 0.005 0.000 3/24480 Thermal conductivity related properties were written into "kappa-m853.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:59:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|