----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:58:49]------------------------- 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 10.523907601306059 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): *1 Dy 0.49071895468380 0.55482114805408 0.74550767131293 162.500 *2 Dy 0.70269404666896 0.81940203505096 0.55244723895953 162.500 *3 Dy 0.48390317276376 0.34302066794965 0.78145122079140 162.500 *4 Dy 0.65304205523038 0.45926704759120 0.03487883920816 162.500 5 Dy 0.50928104531620 0.05482114805408 0.75449232868707 162.500 6 Dy 0.29730595333104 0.18059796494904 0.44755276104047 162.500 7 Dy 0.34695794476962 0.95926704759120 0.46512116079185 162.500 8 Dy 0.34695794476962 0.54073295240880 0.96512116079184 162.500 *9 Dy 0.84396035162227 0.94221902227892 0.80404556650913 162.500 10 Dy 0.29730595333104 0.31940203505096 0.94755276104047 162.500 11 Dy 0.84396035162227 0.55778097772108 0.30404556650913 162.500 12 Dy 0.48390317276376 0.15697933205035 0.28145122079140 162.500 13 Dy 0.51609682723624 0.84302066794965 0.71854877920860 162.500 14 Dy 0.15603964837773 0.44221902227892 0.69595443349087 162.500 15 Dy 0.15603964837773 0.05778097772108 0.19595443349087 162.500 16 Dy 0.50928104531620 0.44517885194592 0.25449232868707 162.500 17 Dy 0.70269404666896 0.68059796494904 0.05244723895953 162.500 18 Dy 0.51609682723624 0.65697933205035 0.21854877920860 162.500 19 Dy 0.65304205523038 0.04073295240880 0.53487883920816 162.500 20 Dy 0.49071895468380 0.94517885194592 0.24550767131293 162.500 *21 C 0.56930113636756 0.53051795254745 0.16416364092617 12.011 *22 C 0.62448936150599 0.91490304433975 0.61718189449893 12.011 23 C 0.43069886363244 0.46948204745255 0.83583635907383 12.011 24 C 0.37551063849401 0.41490304433975 0.88281810550107 12.011 25 C 0.56930113636756 0.96948204745255 0.66416364092617 12.011 26 C 0.62448936150599 0.58509695566025 0.11718189449893 12.011 27 C 0.43069886363244 0.03051795254745 0.33583635907383 12.011 28 C 0.37551063849401 0.08509695566025 0.38281810550107 12.011 *29 I 0.40700164480502 0.56593305858985 0.34894754886793 126.904 *30 I 0.00511379000257 0.81689874711780 0.75266551557240 126.904 *31 I 0.18147972753193 0.94002974309900 0.03857734956564 126.904 *32 I 0.40373631866198 0.19047550443031 0.85866750363479 126.904 *33 I 0.39977819117450 0.69863290307370 0.83031512130411 126.904 34 I 0.40373631866198 0.30952449556969 0.35866750363479 126.904 *35 I 0.19359502689201 0.31611937181735 0.55529553830900 126.904 *36 I 0.80793948134617 0.56494072228984 0.94507568308376 126.904 37 I 0.80640497310799 0.68388062818265 0.44470446169100 126.904 38 I 0.59626368133802 0.80952449556969 0.14133249636521 126.904 39 I 0.18147972753193 0.55997025690100 0.53857734956564 126.904 40 I 0.39977819117450 0.80136709692630 0.33031512130411 126.904 *41 I 0.78912002698141 0.17556656234377 0.46761171097727 126.904 42 I 0.60022180882550 0.19863290307370 0.66968487869589 126.904 43 I 0.78912002698141 0.32443343765623 0.96761171097727 126.904 44 I 0.81852027246807 0.05997025690100 0.96142265043436 126.904 *45 I 0.97383473797443 0.06478102283986 0.73772542000387 126.904 46 I 0.59299835519498 0.06593305858985 0.15105245113207 126.904 47 I 0.02616526202557 0.93521897716014 0.26227457999613 126.904 48 I 0.21087997301859 0.82443343765623 0.53238828902273 126.904 49 I 0.97383473797443 0.43521897716014 0.23772542000387 126.904 50 I 0.19359502689201 0.18388062818265 0.05529553830900 126.904 51 I 0.21087997301859 0.67556656234377 0.03238828902273 126.904 52 I 0.59626368133802 0.69047550443031 0.64133249636521 126.904 53 I 0.80640497310799 0.81611937181735 0.94470446169100 126.904 54 I 0.59299835519498 0.43406694141015 0.65105245113207 126.904 55 I 0.00511379000257 0.68310125288220 0.25266551557240 126.904 56 I 0.81852027246807 0.44002974309900 0.46142265043436 126.904 57 I 0.19206051865383 0.43505927771016 0.05492431691624 126.904 58 I 0.19206051865383 0.06494072228984 0.55492431691624 126.904 59 I 0.99488620999743 0.31689874711780 0.74733448442760 126.904 60 I 0.80793948134617 0.93505927771016 0.44507568308376 126.904 61 I 0.40700164480502 0.93406694141015 0.84894754886793 126.904 62 I 0.99488620999743 0.18310125288220 0.24733448442760 126.904 63 I 0.02616526202557 0.56478102283986 0.76227457999613 126.904 64 I 0.60022180882550 0.30136709692630 0.16968487869589 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.523907601306059 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): *1 Dy 0.49071895468380 0.55482114805408 0.74550767131293 162.500 > 1 *2 Dy 0.70269404666896 0.81940203505096 0.55244723895953 162.500 > 2 *3 Dy 0.48390317276376 0.34302066794965 0.78145122079140 162.500 > 3 *4 Dy 0.65304205523038 0.45926704759120 0.03487883920816 162.500 > 4 5 Dy 0.50928104531620 0.05482114805408 0.75449232868707 162.500 > 5 6 Dy 0.29730595333104 0.18059796494904 0.44755276104047 162.500 > 6 7 Dy 0.34695794476962 0.95926704759120 0.46512116079185 162.500 > 7 8 Dy 0.34695794476962 0.54073295240880 0.96512116079184 162.500 > 8 *9 Dy 0.84396035162227 0.94221902227892 0.80404556650913 162.500 > 9 10 Dy 0.29730595333104 0.31940203505096 0.94755276104047 162.500 > 10 11 Dy 0.84396035162227 0.55778097772108 0.30404556650913 162.500 > 11 12 Dy 0.48390317276376 0.15697933205035 0.28145122079140 162.500 > 12 13 Dy 0.51609682723624 0.84302066794965 0.71854877920860 162.500 > 13 14 Dy 0.15603964837773 0.44221902227892 0.69595443349087 162.500 > 14 15 Dy 0.15603964837773 0.05778097772108 0.19595443349087 162.500 > 15 16 Dy 0.50928104531620 0.44517885194592 0.25449232868707 162.500 > 16 17 Dy 0.70269404666896 0.68059796494904 0.05244723895953 162.500 > 17 18 Dy 0.51609682723624 0.65697933205035 0.21854877920860 162.500 > 18 19 Dy 0.65304205523038 0.04073295240880 0.53487883920816 162.500 > 19 20 Dy 0.49071895468380 0.94517885194592 0.24550767131293 162.500 > 20 *21 C 0.56930113636756 0.53051795254745 0.16416364092617 12.011 > 21 *22 C 0.62448936150599 0.91490304433975 0.61718189449893 12.011 > 22 23 C 0.43069886363244 0.46948204745255 0.83583635907383 12.011 > 23 24 C 0.37551063849401 0.41490304433975 0.88281810550107 12.011 > 24 25 C 0.56930113636756 0.96948204745255 0.66416364092617 12.011 > 25 26 C 0.62448936150599 0.58509695566025 0.11718189449893 12.011 > 26 27 C 0.43069886363244 0.03051795254745 0.33583635907383 12.011 > 27 28 C 0.37551063849401 0.08509695566025 0.38281810550107 12.011 > 28 *29 I 0.40700164480502 0.56593305858985 0.34894754886793 126.904 > 29 *30 I 0.00511379000257 0.81689874711780 0.75266551557240 126.904 > 30 *31 I 0.18147972753193 0.94002974309900 0.03857734956564 126.904 > 31 *32 I 0.40373631866198 0.19047550443031 0.85866750363479 126.904 > 32 *33 I 0.39977819117450 0.69863290307370 0.83031512130411 126.904 > 33 34 I 0.40373631866198 0.30952449556969 0.35866750363479 126.904 > 34 *35 I 0.19359502689201 0.31611937181735 0.55529553830900 126.904 > 35 *36 I 0.80793948134617 0.56494072228984 0.94507568308376 126.904 > 36 37 I 0.80640497310799 0.68388062818265 0.44470446169100 126.904 > 37 38 I 0.59626368133802 0.80952449556969 0.14133249636521 126.904 > 38 39 I 0.18147972753193 0.55997025690100 0.53857734956564 126.904 > 39 40 I 0.39977819117450 0.80136709692630 0.33031512130411 126.904 > 40 *41 I 0.78912002698141 0.17556656234377 0.46761171097727 126.904 > 41 42 I 0.60022180882550 0.19863290307370 0.66968487869589 126.904 > 42 43 I 0.78912002698141 0.32443343765623 0.96761171097727 126.904 > 43 44 I 0.81852027246807 0.05997025690100 0.96142265043436 126.904 > 44 *45 I 0.97383473797443 0.06478102283986 0.73772542000387 126.904 > 45 46 I 0.59299835519498 0.06593305858985 0.15105245113207 126.904 > 46 47 I 0.02616526202557 0.93521897716014 0.26227457999613 126.904 > 47 48 I 0.21087997301859 0.82443343765623 0.53238828902273 126.904 > 48 49 I 0.97383473797443 0.43521897716014 0.23772542000387 126.904 > 49 50 I 0.19359502689201 0.18388062818265 0.05529553830900 126.904 > 50 51 I 0.21087997301859 0.67556656234377 0.03238828902273 126.904 > 51 52 I 0.59626368133802 0.69047550443031 0.64133249636521 126.904 > 52 53 I 0.80640497310799 0.81611937181735 0.94470446169100 126.904 > 53 54 I 0.59299835519498 0.43406694141015 0.65105245113207 126.904 > 54 55 I 0.00511379000257 0.68310125288220 0.25266551557240 126.904 > 55 56 I 0.81852027246807 0.44002974309900 0.46142265043436 126.904 > 56 57 I 0.19206051865383 0.43505927771016 0.05492431691624 126.904 > 57 58 I 0.19206051865383 0.06494072228984 0.55492431691624 126.904 > 58 59 I 0.99488620999743 0.31689874711780 0.74733448442760 126.904 > 59 60 I 0.80793948134617 0.93505927771016 0.44507568308376 126.904 > 60 61 I 0.40700164480502 0.93406694141015 0.84894754886793 126.904 > 61 62 I 0.99488620999743 0.18310125288220 0.24733448442760 126.904 > 62 63 I 0.02616526202557 0.56478102283986 0.76227457999613 126.904 > 63 64 I 0.60022180882550 0.30136709692630 0.16968487869589 126.904 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.047815202612117 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): *1 Dy 0.24535947734190 0.55482114805408 0.74550767131293 162.500 > 1 2 Dy 0.74535947734190 0.55482114805408 0.74550767131293 162.500 > 1 *3 Dy 0.35134702333448 0.81940203505096 0.55244723895953 162.500 > 2 4 Dy 0.85134702333448 0.81940203505096 0.55244723895953 162.500 > 2 *5 Dy 0.24195158638188 0.34302066794965 0.78145122079140 162.500 > 3 6 Dy 0.74195158638188 0.34302066794965 0.78145122079140 162.500 > 3 *7 Dy 0.32652102761519 0.45926704759120 0.03487883920816 162.500 > 4 8 Dy 0.82652102761519 0.45926704759120 0.03487883920816 162.500 > 4 9 Dy 0.25464052265810 0.05482114805408 0.75449232868707 162.500 > 5 10 Dy 0.75464052265810 0.05482114805408 0.75449232868707 162.500 > 5 11 Dy 0.14865297666552 0.18059796494904 0.44755276104047 162.500 > 6 12 Dy 0.64865297666552 0.18059796494904 0.44755276104047 162.500 > 6 13 Dy 0.17347897238481 0.95926704759120 0.46512116079185 162.500 > 7 14 Dy 0.67347897238481 0.95926704759120 0.46512116079185 162.500 > 7 15 Dy 0.17347897238481 0.54073295240880 0.96512116079184 162.500 > 8 16 Dy 0.67347897238481 0.54073295240880 0.96512116079184 162.500 > 8 *17 Dy 0.42198017581114 0.94221902227892 0.80404556650913 162.500 > 9 18 Dy 0.92198017581114 0.94221902227892 0.80404556650913 162.500 > 9 19 Dy 0.14865297666552 0.31940203505096 0.94755276104047 162.500 > 10 20 Dy 0.64865297666552 0.31940203505096 0.94755276104047 162.500 > 10 21 Dy 0.42198017581114 0.55778097772108 0.30404556650913 162.500 > 11 22 Dy 0.92198017581114 0.55778097772108 0.30404556650913 162.500 > 11 23 Dy 0.24195158638188 0.15697933205035 0.28145122079140 162.500 > 12 24 Dy 0.74195158638188 0.15697933205035 0.28145122079140 162.500 > 12 25 Dy 0.25804841361812 0.84302066794965 0.71854877920860 162.500 > 13 26 Dy 0.75804841361812 0.84302066794965 0.71854877920860 162.500 > 13 27 Dy 0.07801982418886 0.44221902227892 0.69595443349087 162.500 > 14 28 Dy 0.57801982418886 0.44221902227892 0.69595443349087 162.500 > 14 29 Dy 0.07801982418886 0.05778097772108 0.19595443349087 162.500 > 15 30 Dy 0.57801982418886 0.05778097772108 0.19595443349087 162.500 > 15 31 Dy 0.25464052265810 0.44517885194592 0.25449232868707 162.500 > 16 32 Dy 0.75464052265810 0.44517885194592 0.25449232868707 162.500 > 16 33 Dy 0.35134702333448 0.68059796494904 0.05244723895953 162.500 > 17 34 Dy 0.85134702333448 0.68059796494904 0.05244723895953 162.500 > 17 35 Dy 0.25804841361812 0.65697933205035 0.21854877920860 162.500 > 18 36 Dy 0.75804841361812 0.65697933205035 0.21854877920860 162.500 > 18 37 Dy 0.32652102761519 0.04073295240880 0.53487883920816 162.500 > 19 38 Dy 0.82652102761519 0.04073295240880 0.53487883920816 162.500 > 19 39 Dy 0.24535947734190 0.94517885194592 0.24550767131293 162.500 > 20 40 Dy 0.74535947734190 0.94517885194592 0.24550767131293 162.500 > 20 *41 C 0.28465056818378 0.53051795254745 0.16416364092617 12.011 > 21 42 C 0.78465056818378 0.53051795254745 0.16416364092617 12.011 > 21 *43 C 0.31224468075299 0.91490304433975 0.61718189449893 12.011 > 22 44 C 0.81224468075299 0.91490304433975 0.61718189449893 12.011 > 22 45 C 0.21534943181622 0.46948204745255 0.83583635907383 12.011 > 23 46 C 0.71534943181622 0.46948204745255 0.83583635907383 12.011 > 23 47 C 0.18775531924701 0.41490304433975 0.88281810550107 12.011 > 24 48 C 0.68775531924701 0.41490304433975 0.88281810550107 12.011 > 24 49 C 0.28465056818378 0.96948204745255 0.66416364092617 12.011 > 25 50 C 0.78465056818378 0.96948204745255 0.66416364092617 12.011 > 25 51 C 0.31224468075299 0.58509695566025 0.11718189449893 12.011 > 26 52 C 0.81224468075299 0.58509695566025 0.11718189449893 12.011 > 26 53 C 0.21534943181622 0.03051795254745 0.33583635907383 12.011 > 27 54 C 0.71534943181622 0.03051795254745 0.33583635907383 12.011 > 27 55 C 0.18775531924701 0.08509695566025 0.38281810550107 12.011 > 28 56 C 0.68775531924701 0.08509695566025 0.38281810550107 12.011 > 28 *57 I 0.20350082240251 0.56593305858985 0.34894754886793 126.904 > 29 58 I 0.70350082240251 0.56593305858985 0.34894754886793 126.904 > 29 *59 I 0.00255689500128 0.81689874711780 0.75266551557240 126.904 > 30 60 I 0.50255689500128 0.81689874711780 0.75266551557240 126.904 > 30 *61 I 0.09073986376597 0.94002974309900 0.03857734956564 126.904 > 31 62 I 0.59073986376597 0.94002974309900 0.03857734956564 126.904 > 31 *63 I 0.20186815933099 0.19047550443031 0.85866750363479 126.904 > 32 64 I 0.70186815933099 0.19047550443031 0.85866750363479 126.904 > 32 *65 I 0.19988909558725 0.69863290307370 0.83031512130411 126.904 > 33 66 I 0.69988909558725 0.69863290307370 0.83031512130411 126.904 > 33 67 I 0.20186815933099 0.30952449556969 0.35866750363479 126.904 > 34 68 I 0.70186815933099 0.30952449556969 0.35866750363479 126.904 > 34 *69 I 0.09679751344601 0.31611937181735 0.55529553830900 126.904 > 35 70 I 0.59679751344601 0.31611937181735 0.55529553830900 126.904 > 35 *71 I 0.40396974067309 0.56494072228984 0.94507568308376 126.904 > 36 72 I 0.90396974067309 0.56494072228984 0.94507568308376 126.904 > 36 73 I 0.40320248655399 0.68388062818265 0.44470446169100 126.904 > 37 74 I 0.90320248655399 0.68388062818265 0.44470446169100 126.904 > 37 75 I 0.29813184066901 0.80952449556969 0.14133249636521 126.904 > 38 76 I 0.79813184066901 0.80952449556969 0.14133249636521 126.904 > 38 77 I 0.09073986376597 0.55997025690100 0.53857734956564 126.904 > 39 78 I 0.59073986376597 0.55997025690100 0.53857734956564 126.904 > 39 79 I 0.19988909558725 0.80136709692630 0.33031512130411 126.904 > 40 80 I 0.69988909558725 0.80136709692630 0.33031512130411 126.904 > 40 *81 I 0.39456001349071 0.17556656234377 0.46761171097727 126.904 > 41 82 I 0.89456001349071 0.17556656234377 0.46761171097727 126.904 > 41 83 I 0.30011090441275 0.19863290307370 0.66968487869589 126.904 > 42 84 I 0.80011090441275 0.19863290307370 0.66968487869589 126.904 > 42 85 I 0.39456001349071 0.32443343765623 0.96761171097727 126.904 > 43 86 I 0.89456001349071 0.32443343765623 0.96761171097727 126.904 > 43 87 I 0.40926013623403 0.05997025690100 0.96142265043436 126.904 > 44 88 I 0.90926013623403 0.05997025690100 0.96142265043436 126.904 > 44 *89 I 0.48691736898722 0.06478102283986 0.73772542000387 126.904 > 45 90 I 0.98691736898722 0.06478102283986 0.73772542000387 126.904 > 45 91 I 0.29649917759749 0.06593305858985 0.15105245113207 126.904 > 46 92 I 0.79649917759749 0.06593305858985 0.15105245113207 126.904 > 46 93 I 0.01308263101278 0.93521897716014 0.26227457999613 126.904 > 47 94 I 0.51308263101278 0.93521897716014 0.26227457999613 126.904 > 47 95 I 0.10543998650929 0.82443343765623 0.53238828902273 126.904 > 48 96 I 0.60543998650929 0.82443343765623 0.53238828902273 126.904 > 48 97 I 0.48691736898722 0.43521897716014 0.23772542000387 126.904 > 49 98 I 0.98691736898722 0.43521897716014 0.23772542000387 126.904 > 49 99 I 0.09679751344601 0.18388062818265 0.05529553830900 126.904 > 50 100 I 0.59679751344601 0.18388062818265 0.05529553830900 126.904 > 50 101 I 0.10543998650929 0.67556656234377 0.03238828902273 126.904 > 51 102 I 0.60543998650929 0.67556656234377 0.03238828902273 126.904 > 51 103 I 0.29813184066901 0.69047550443031 0.64133249636521 126.904 > 52 104 I 0.79813184066901 0.69047550443031 0.64133249636521 126.904 > 52 105 I 0.40320248655399 0.81611937181735 0.94470446169100 126.904 > 53 106 I 0.90320248655399 0.81611937181735 0.94470446169100 126.904 > 53 107 I 0.29649917759749 0.43406694141015 0.65105245113207 126.904 > 54 108 I 0.79649917759749 0.43406694141015 0.65105245113207 126.904 > 54 109 I 0.00255689500128 0.68310125288220 0.25266551557240 126.904 > 55 110 I 0.50255689500128 0.68310125288220 0.25266551557240 126.904 > 55 111 I 0.40926013623403 0.44002974309900 0.46142265043436 126.904 > 56 112 I 0.90926013623403 0.44002974309900 0.46142265043436 126.904 > 56 113 I 0.09603025932691 0.43505927771016 0.05492431691624 126.904 > 57 114 I 0.59603025932691 0.43505927771016 0.05492431691624 126.904 > 57 115 I 0.09603025932691 0.06494072228984 0.55492431691624 126.904 > 58 116 I 0.59603025932691 0.06494072228984 0.55492431691624 126.904 > 58 117 I 0.49744310499872 0.31689874711780 0.74733448442760 126.904 > 59 118 I 0.99744310499872 0.31689874711780 0.74733448442760 126.904 > 59 119 I 0.40396974067309 0.93505927771016 0.44507568308376 126.904 > 60 120 I 0.90396974067309 0.93505927771016 0.44507568308376 126.904 > 60 121 I 0.20350082240251 0.93406694141015 0.84894754886793 126.904 > 61 122 I 0.70350082240251 0.93406694141015 0.84894754886793 126.904 > 61 123 I 0.49744310499872 0.18310125288220 0.24733448442760 126.904 > 62 124 I 0.99744310499872 0.18310125288220 0.24733448442760 126.904 > 62 125 I 0.01308263101278 0.56478102283986 0.76227457999613 126.904 > 63 126 I 0.51308263101278 0.56478102283986 0.76227457999613 126.904 > 63 127 I 0.30011090441275 0.30136709692630 0.16968487869589 126.904 > 64 128 I 0.80011090441275 0.30136709692630 0.16968487869589 126.904 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3515759 0.0000000 -0.1283526 0.0000000 5.9687721 0.0000000 -0.1283853 0.0000000 6.2808842 -------------------------- Born effective charges -------------------------- 1 Dy 2.6439906 0.6360307 -0.2772118 0.5275876 3.3603759 -0.4481942 -0.4124831 -0.9007871 3.2562320 2 Dy 2.6158657 -0.5077425 -0.3690294 -0.6278517 3.5577598 0.4864082 -0.2814565 0.2163824 2.7053195 3 Dy 2.3036434 -0.5136894 -0.0416568 -0.6859588 2.9729462 0.7892679 -0.2586049 0.8136536 2.8356993 4 Dy 1.8493576 -0.2299202 0.1220049 -0.2767653 2.1129349 0.3642882 0.1753443 0.2606196 2.3590046 5 Dy 2.6439906 -0.6360307 -0.2772118 -0.5275876 3.3603759 0.4481942 -0.4124831 0.9007871 3.2562320 6 Dy 2.6158657 -0.5077425 -0.3690294 -0.6278517 3.5577598 0.4864082 -0.2814565 0.2163824 2.7053195 7 Dy 1.8493576 0.2299202 0.1220049 0.2767653 2.1129349 -0.3642882 0.1753443 -0.2606196 2.3590046 8 Dy 1.8493576 -0.2299202 0.1220049 -0.2767653 2.1129349 0.3642882 0.1753443 0.2606196 2.3590046 9 Dy 2.4726104 0.5528571 0.2673563 0.3968800 2.5127031 -0.3951141 0.8735412 -0.1575725 3.7356420 10 Dy 2.6158657 0.5077425 -0.3690294 0.6278517 3.5577598 -0.4864082 -0.2814565 -0.2163824 2.7053195 11 Dy 2.4726104 -0.5528571 0.2673563 -0.3968800 2.5127031 0.3951141 0.8735412 0.1575725 3.7356420 12 Dy 2.3036434 0.5136894 -0.0416568 0.6859588 2.9729462 -0.7892679 -0.2586049 -0.8136536 2.8356993 13 Dy 2.3036434 0.5136894 -0.0416568 0.6859588 2.9729462 -0.7892679 -0.2586049 -0.8136536 2.8356993 14 Dy 2.4726104 -0.5528571 0.2673563 -0.3968800 2.5127031 0.3951141 0.8735412 0.1575725 3.7356420 15 Dy 2.4726104 0.5528571 0.2673563 0.3968800 2.5127031 -0.3951141 0.8735412 -0.1575725 3.7356420 16 Dy 2.6439906 0.6360307 -0.2772118 0.5275876 3.3603759 -0.4481942 -0.4124831 -0.9007871 3.2562320 17 Dy 2.6158657 0.5077425 -0.3690294 0.6278517 3.5577598 -0.4864082 -0.2814565 -0.2163824 2.7053195 18 Dy 2.3036434 -0.5136894 -0.0416568 -0.6859588 2.9729462 0.7892679 -0.2586049 0.8136536 2.8356993 19 Dy 1.8493576 0.2299202 0.1220049 0.2767653 2.1129349 -0.3642882 0.1753443 -0.2606196 2.3590046 20 Dy 2.6439906 -0.6360307 -0.2772118 -0.5275876 3.3603759 0.4481942 -0.4124831 0.9007871 3.2562320 21 C -1.6572721 -0.2528970 0.3038105 -0.2893919 -1.9199674 -0.0131926 0.0402981 0.7075277 -2.5346551 22 C -1.6513733 0.2609831 0.0987317 0.1221097 -2.5425159 -0.1455191 0.2088691 0.3853244 -1.7929037 23 C -1.6572721 -0.2528970 0.3038105 -0.2893919 -1.9199674 -0.0131926 0.0402981 0.7075277 -2.5346551 24 C -1.6513733 -0.2609831 0.0987317 -0.1221097 -2.5425159 0.1455191 0.2088691 -0.3853244 -1.7929037 25 C -1.6572721 0.2528970 0.3038105 0.2893919 -1.9199674 0.0131926 0.0402981 -0.7075277 -2.5346551 26 C -1.6513733 -0.2609831 0.0987317 -0.1221097 -2.5425159 0.1455191 0.2088691 -0.3853244 -1.7929037 27 C -1.6572721 0.2528970 0.3038105 0.2893919 -1.9199674 0.0131926 0.0402981 -0.7075277 -2.5346551 28 C -1.6513733 0.2609831 0.0987317 0.1221097 -2.5425159 -0.1455191 0.2088691 0.3853244 -1.7929037 29 I -0.9729626 0.1927360 0.4463291 0.1165309 -1.1191793 -0.1090342 0.4309722 -0.0733506 -0.7096803 30 I -1.0335385 0.3501868 -0.3344601 0.3614556 -0.8030510 -0.1143271 -0.2611268 -0.1808530 -1.1406390 31 I -0.9745993 0.1090743 -0.6868083 0.1138077 -0.6645393 -0.2736596 -0.9417629 -0.2701631 -2.1933146 32 I -1.0152257 0.5550806 0.4869968 0.6585332 -1.8508851 -0.4701461 0.5995125 -0.5517608 -0.6862187 33 I -0.8440222 -0.3390960 0.1848461 -0.3908353 -1.4828195 0.3293995 0.2091805 0.3316523 -1.2125633 34 I -1.0152257 -0.5550806 0.4869968 -0.6585332 -1.8508851 0.4701461 0.5995125 0.5517608 -0.6862187 35 I -0.9990322 0.7465514 0.2592624 0.7737080 -1.5187040 -0.9558602 0.1465824 -0.8539777 -1.4787914 36 I -0.7138753 0.0221494 0.0025831 0.0247950 -0.8243035 -0.1021789 -0.0132743 -0.0860837 -0.8959193 37 I -0.9990322 0.7465514 0.2592624 0.7737080 -1.5187040 -0.9558602 0.1465824 -0.8539777 -1.4787914 38 I -1.0152257 0.5550806 0.4869968 0.6585332 -1.8508851 -0.4701461 0.5995125 -0.5517608 -0.6862187 39 I -0.9745993 -0.1090743 -0.6868083 -0.1138077 -0.6645393 0.2736596 -0.9417629 0.2701631 -2.1933146 40 I -0.8440222 0.3390960 0.1848461 0.3908353 -1.4828195 -0.3293995 0.2091805 -0.3316523 -1.2125633 41 I -1.0098039 -0.4408407 -0.2337032 -0.4125256 -0.8888557 0.3069634 -0.2441888 0.2528505 -1.1290872 42 I -0.8440222 0.3390960 0.1848461 0.3908353 -1.4828195 -0.3293995 0.2091805 -0.3316523 -1.2125633 43 I -1.0098039 0.4408407 -0.2337032 0.4125256 -0.8888557 -0.3069634 -0.2441888 -0.2528505 -1.1290872 44 I -0.9745993 0.1090743 -0.6868083 0.1138077 -0.6645393 -0.2736596 -0.9417629 -0.2701631 -2.1933146 45 I -1.0137626 -0.4746418 -0.2290514 -0.4413745 -0.9018993 0.2458552 -0.2714031 0.2425388 -1.1181248 46 I -0.9729626 -0.1927360 0.4463291 -0.1165309 -1.1191793 0.1090342 0.4309722 0.0733506 -0.7096803 47 I -1.0137626 -0.4746418 -0.2290514 -0.4413745 -0.9018993 0.2458552 -0.2714031 0.2425388 -1.1181248 48 I -1.0098039 -0.4408407 -0.2337032 -0.4125256 -0.8888557 0.3069634 -0.2441888 0.2528505 -1.1290872 49 I -1.0137626 0.4746418 -0.2290514 0.4413745 -0.9018993 -0.2458552 -0.2714031 -0.2425388 -1.1181248 50 I -0.9990322 -0.7465514 0.2592624 -0.7737080 -1.5187040 0.9558602 0.1465824 0.8539777 -1.4787914 51 I -1.0098039 0.4408407 -0.2337032 0.4125256 -0.8888557 -0.3069634 -0.2441888 -0.2528505 -1.1290872 52 I -1.0152257 -0.5550806 0.4869968 -0.6585332 -1.8508851 0.4701461 0.5995125 0.5517608 -0.6862187 53 I -0.9990322 -0.7465514 0.2592624 -0.7737080 -1.5187040 0.9558602 0.1465824 0.8539777 -1.4787914 54 I -0.9729626 0.1927360 0.4463291 0.1165309 -1.1191793 -0.1090342 0.4309722 -0.0733506 -0.7096803 55 I -1.0335385 -0.3501868 -0.3344601 -0.3614556 -0.8030510 0.1143271 -0.2611268 0.1808530 -1.1406390 56 I -0.9745993 -0.1090743 -0.6868083 -0.1138077 -0.6645393 0.2736596 -0.9417629 0.2701631 -2.1933146 57 I -0.7138753 0.0221494 0.0025831 0.0247950 -0.8243035 -0.1021789 -0.0132743 -0.0860837 -0.8959193 58 I -0.7138753 -0.0221494 0.0025831 -0.0247950 -0.8243035 0.1021789 -0.0132743 0.0860837 -0.8959193 59 I -1.0335385 -0.3501868 -0.3344601 -0.3614556 -0.8030510 0.1143271 -0.2611268 0.1808530 -1.1406390 60 I -0.7138753 -0.0221494 0.0025831 -0.0247950 -0.8243035 0.1021789 -0.0132743 0.0860837 -0.8959193 61 I -0.9729626 -0.1927360 0.4463291 -0.1165309 -1.1191793 0.1090342 0.4309722 0.0733506 -0.7096803 62 I -1.0335385 0.3501868 -0.3344601 0.3614556 -0.8030510 -0.1143271 -0.2611268 -0.1808530 -1.1406390 63 I -1.0137626 0.4746418 -0.2290514 0.4413745 -0.9018993 -0.2458552 -0.2714031 -0.2425388 -1.1181248 64 I -0.8440222 -0.3390960 0.1848461 -0.3908353 -1.4828195 0.3293995 0.2091805 0.3316523 -1.2125633 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 277 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 277 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (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: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 518), data: False |-- (548, 21), data: (548, 51) @ (51, 21) |-- (298, 277), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 19), data: (500, 49) @ (49, 19) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 25), data: (500, 57) @ (57, 25) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 518), data: False |-- (548, 21), data: (548, 51) @ (51, 21) |-- (298, 277), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 19), data: (500, 49) @ (49, 19) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 25), data: (500, 57) @ (57, 25) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1920 - Time: 2.992 Solver_block: 200 / 1920 - Time: 2.650 Solver_block: 300 / 1920 - Time: 2.645 Solver_block: 400 / 1920 - Time: 2.628 Solver_block: 500 / 1920 - Time: 2.633 Solver_block: 600 / 1920 - Time: 2.637 Solver_block: 700 / 1920 - Time: 2.622 Solver_block: 800 / 1920 - Time: 2.619 Solver_block: 900 / 1920 - Time: 2.623 Solver_block: 1000 / 1920 - Time: 2.645 Solver_block: 1100 / 1920 - Time: 2.619 Solver_block: 1200 / 1920 - Time: 2.627 Solver_block: 1300 / 1920 - Time: 2.612 Solver_block: 1400 / 1920 - Time: 2.626 Solver_block: 1500 / 1920 - Time: 2.618 Solver_block: 1600 / 1920 - Time: 2.621 Solver_block: 1700 / 1920 - Time: 2.622 Solver_block: 1800 / 1920 - Time: 2.624 Solver_block: 1900 / 1920 - Time: 2.628 Solver_block: 1920 / 1920 - Time: 0.845 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 52.667 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 277 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 220 eigenvectors found. (2) Block: 548 / 548 (2) 277 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 124 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (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: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 518), data: False |-- (548, 21), data: (548, 51) @ (51, 21) |-- (298, 277), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 19), data: (500, 49) @ (49, 19) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 25), data: (500, 57) @ (57, 25) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 92), data: (2048, 124) @ (124, 92) |-- (548, 518), data: False |-- (548, 21), data: (548, 51) @ (51, 21) |-- (298, 277), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 19), data: (500, 49) @ (49, 19) |-- (250, 223), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 25), data: (500, 57) @ (57, 25) |-- (250, 223), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 19:01:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:01:17]------------------------- 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 10.523907601306059 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): 1 Dy 0.49071895468380 0.55482114805408 0.74550767131293 162.500 2 Dy 0.70269404666896 0.81940203505096 0.55244723895953 162.500 3 Dy 0.48390317276376 0.34302066794965 0.78145122079140 162.500 4 Dy 0.65304205523038 0.45926704759120 0.03487883920816 162.500 5 Dy 0.50928104531620 0.05482114805408 0.75449232868707 162.500 6 Dy 0.29730595333104 0.18059796494904 0.44755276104047 162.500 7 Dy 0.34695794476962 0.95926704759120 0.46512116079185 162.500 8 Dy 0.34695794476962 0.54073295240880 0.96512116079184 162.500 9 Dy 0.84396035162227 0.94221902227892 0.80404556650913 162.500 10 Dy 0.29730595333104 0.31940203505096 0.94755276104047 162.500 11 Dy 0.84396035162227 0.55778097772108 0.30404556650913 162.500 12 Dy 0.48390317276376 0.15697933205035 0.28145122079140 162.500 13 Dy 0.51609682723624 0.84302066794965 0.71854877920860 162.500 14 Dy 0.15603964837773 0.44221902227892 0.69595443349087 162.500 15 Dy 0.15603964837773 0.05778097772108 0.19595443349087 162.500 16 Dy 0.50928104531620 0.44517885194592 0.25449232868707 162.500 17 Dy 0.70269404666896 0.68059796494904 0.05244723895953 162.500 18 Dy 0.51609682723624 0.65697933205035 0.21854877920860 162.500 19 Dy 0.65304205523038 0.04073295240880 0.53487883920816 162.500 20 Dy 0.49071895468380 0.94517885194592 0.24550767131293 162.500 21 C 0.56930113636756 0.53051795254745 0.16416364092617 12.011 22 C 0.62448936150599 0.91490304433975 0.61718189449893 12.011 23 C 0.43069886363244 0.46948204745255 0.83583635907383 12.011 24 C 0.37551063849401 0.41490304433975 0.88281810550107 12.011 25 C 0.56930113636756 0.96948204745255 0.66416364092617 12.011 26 C 0.62448936150599 0.58509695566025 0.11718189449893 12.011 27 C 0.43069886363244 0.03051795254745 0.33583635907383 12.011 28 C 0.37551063849401 0.08509695566025 0.38281810550107 12.011 29 I 0.40700164480502 0.56593305858985 0.34894754886793 126.904 30 I 0.00511379000257 0.81689874711780 0.75266551557240 126.904 31 I 0.18147972753193 0.94002974309900 0.03857734956564 126.904 32 I 0.40373631866198 0.19047550443031 0.85866750363479 126.904 33 I 0.39977819117450 0.69863290307370 0.83031512130411 126.904 34 I 0.40373631866198 0.30952449556969 0.35866750363479 126.904 35 I 0.19359502689201 0.31611937181735 0.55529553830900 126.904 36 I 0.80793948134617 0.56494072228984 0.94507568308376 126.904 37 I 0.80640497310799 0.68388062818265 0.44470446169100 126.904 38 I 0.59626368133802 0.80952449556969 0.14133249636521 126.904 39 I 0.18147972753193 0.55997025690100 0.53857734956564 126.904 40 I 0.39977819117450 0.80136709692630 0.33031512130411 126.904 41 I 0.78912002698141 0.17556656234377 0.46761171097727 126.904 42 I 0.60022180882550 0.19863290307370 0.66968487869589 126.904 43 I 0.78912002698141 0.32443343765623 0.96761171097727 126.904 44 I 0.81852027246807 0.05997025690100 0.96142265043436 126.904 45 I 0.97383473797443 0.06478102283986 0.73772542000387 126.904 46 I 0.59299835519498 0.06593305858985 0.15105245113207 126.904 47 I 0.02616526202557 0.93521897716014 0.26227457999613 126.904 48 I 0.21087997301859 0.82443343765623 0.53238828902273 126.904 49 I 0.97383473797443 0.43521897716014 0.23772542000387 126.904 50 I 0.19359502689201 0.18388062818265 0.05529553830900 126.904 51 I 0.21087997301859 0.67556656234377 0.03238828902273 126.904 52 I 0.59626368133802 0.69047550443031 0.64133249636521 126.904 53 I 0.80640497310799 0.81611937181735 0.94470446169100 126.904 54 I 0.59299835519498 0.43406694141015 0.65105245113207 126.904 55 I 0.00511379000257 0.68310125288220 0.25266551557240 126.904 56 I 0.81852027246807 0.44002974309900 0.46142265043436 126.904 57 I 0.19206051865383 0.43505927771016 0.05492431691624 126.904 58 I 0.19206051865383 0.06494072228984 0.55492431691624 126.904 59 I 0.99488620999743 0.31689874711780 0.74733448442760 126.904 60 I 0.80793948134617 0.93505927771016 0.44507568308376 126.904 61 I 0.40700164480502 0.93406694141015 0.84894754886793 126.904 62 I 0.99488620999743 0.18310125288220 0.24733448442760 126.904 63 I 0.02616526202557 0.56478102283986 0.76227457999613 126.904 64 I 0.60022180882550 0.30136709692630 0.16968487869589 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.047815202612117 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): 1 Dy 0.24535947734190 0.55482114805408 0.74550767131293 162.500 > 1 2 Dy 0.74535947734190 0.55482114805408 0.74550767131293 162.500 > 1 3 Dy 0.35134702333448 0.81940203505096 0.55244723895953 162.500 > 3 4 Dy 0.85134702333448 0.81940203505096 0.55244723895953 162.500 > 3 5 Dy 0.24195158638188 0.34302066794965 0.78145122079140 162.500 > 5 6 Dy 0.74195158638188 0.34302066794965 0.78145122079140 162.500 > 5 7 Dy 0.32652102761519 0.45926704759120 0.03487883920816 162.500 > 7 8 Dy 0.82652102761519 0.45926704759120 0.03487883920816 162.500 > 7 9 Dy 0.25464052265810 0.05482114805408 0.75449232868707 162.500 > 9 10 Dy 0.75464052265810 0.05482114805408 0.75449232868707 162.500 > 9 11 Dy 0.14865297666552 0.18059796494904 0.44755276104047 162.500 > 11 12 Dy 0.64865297666552 0.18059796494904 0.44755276104047 162.500 > 11 13 Dy 0.17347897238481 0.95926704759120 0.46512116079185 162.500 > 13 14 Dy 0.67347897238481 0.95926704759120 0.46512116079185 162.500 > 13 15 Dy 0.17347897238481 0.54073295240880 0.96512116079184 162.500 > 15 16 Dy 0.67347897238481 0.54073295240880 0.96512116079184 162.500 > 15 17 Dy 0.42198017581114 0.94221902227892 0.80404556650913 162.500 > 17 18 Dy 0.92198017581114 0.94221902227892 0.80404556650913 162.500 > 17 19 Dy 0.14865297666552 0.31940203505096 0.94755276104047 162.500 > 19 20 Dy 0.64865297666552 0.31940203505096 0.94755276104047 162.500 > 19 21 Dy 0.42198017581114 0.55778097772108 0.30404556650913 162.500 > 21 22 Dy 0.92198017581114 0.55778097772108 0.30404556650913 162.500 > 21 23 Dy 0.24195158638188 0.15697933205035 0.28145122079140 162.500 > 23 24 Dy 0.74195158638188 0.15697933205035 0.28145122079140 162.500 > 23 25 Dy 0.25804841361812 0.84302066794965 0.71854877920860 162.500 > 25 26 Dy 0.75804841361812 0.84302066794965 0.71854877920860 162.500 > 25 27 Dy 0.07801982418886 0.44221902227892 0.69595443349087 162.500 > 27 28 Dy 0.57801982418886 0.44221902227892 0.69595443349087 162.500 > 27 29 Dy 0.07801982418886 0.05778097772108 0.19595443349087 162.500 > 29 30 Dy 0.57801982418886 0.05778097772108 0.19595443349087 162.500 > 29 31 Dy 0.25464052265810 0.44517885194592 0.25449232868707 162.500 > 31 32 Dy 0.75464052265810 0.44517885194592 0.25449232868707 162.500 > 31 33 Dy 0.35134702333448 0.68059796494904 0.05244723895953 162.500 > 33 34 Dy 0.85134702333448 0.68059796494904 0.05244723895953 162.500 > 33 35 Dy 0.25804841361812 0.65697933205035 0.21854877920860 162.500 > 35 36 Dy 0.75804841361812 0.65697933205035 0.21854877920860 162.500 > 35 37 Dy 0.32652102761519 0.04073295240880 0.53487883920816 162.500 > 37 38 Dy 0.82652102761519 0.04073295240880 0.53487883920816 162.500 > 37 39 Dy 0.24535947734190 0.94517885194592 0.24550767131293 162.500 > 39 40 Dy 0.74535947734190 0.94517885194592 0.24550767131293 162.500 > 39 41 C 0.28465056818378 0.53051795254745 0.16416364092617 12.011 > 41 42 C 0.78465056818378 0.53051795254745 0.16416364092617 12.011 > 41 43 C 0.31224468075299 0.91490304433975 0.61718189449893 12.011 > 43 44 C 0.81224468075299 0.91490304433975 0.61718189449893 12.011 > 43 45 C 0.21534943181622 0.46948204745255 0.83583635907383 12.011 > 45 46 C 0.71534943181622 0.46948204745255 0.83583635907383 12.011 > 45 47 C 0.18775531924701 0.41490304433975 0.88281810550107 12.011 > 47 48 C 0.68775531924701 0.41490304433975 0.88281810550107 12.011 > 47 49 C 0.28465056818378 0.96948204745255 0.66416364092617 12.011 > 49 50 C 0.78465056818378 0.96948204745255 0.66416364092617 12.011 > 49 51 C 0.31224468075299 0.58509695566025 0.11718189449893 12.011 > 51 52 C 0.81224468075299 0.58509695566025 0.11718189449893 12.011 > 51 53 C 0.21534943181622 0.03051795254745 0.33583635907383 12.011 > 53 54 C 0.71534943181622 0.03051795254745 0.33583635907383 12.011 > 53 55 C 0.18775531924701 0.08509695566025 0.38281810550107 12.011 > 55 56 C 0.68775531924701 0.08509695566025 0.38281810550107 12.011 > 55 57 I 0.20350082240251 0.56593305858985 0.34894754886793 126.904 > 57 58 I 0.70350082240251 0.56593305858985 0.34894754886793 126.904 > 57 59 I 0.00255689500128 0.81689874711780 0.75266551557240 126.904 > 59 60 I 0.50255689500128 0.81689874711780 0.75266551557240 126.904 > 59 61 I 0.09073986376597 0.94002974309900 0.03857734956564 126.904 > 61 62 I 0.59073986376597 0.94002974309900 0.03857734956564 126.904 > 61 63 I 0.20186815933099 0.19047550443031 0.85866750363479 126.904 > 63 64 I 0.70186815933099 0.19047550443031 0.85866750363479 126.904 > 63 65 I 0.19988909558725 0.69863290307370 0.83031512130411 126.904 > 65 66 I 0.69988909558725 0.69863290307370 0.83031512130411 126.904 > 65 67 I 0.20186815933099 0.30952449556969 0.35866750363479 126.904 > 67 68 I 0.70186815933099 0.30952449556969 0.35866750363479 126.904 > 67 69 I 0.09679751344601 0.31611937181735 0.55529553830900 126.904 > 69 70 I 0.59679751344601 0.31611937181735 0.55529553830900 126.904 > 69 71 I 0.40396974067309 0.56494072228984 0.94507568308376 126.904 > 71 72 I 0.90396974067309 0.56494072228984 0.94507568308376 126.904 > 71 73 I 0.40320248655399 0.68388062818265 0.44470446169100 126.904 > 73 74 I 0.90320248655399 0.68388062818265 0.44470446169100 126.904 > 73 75 I 0.29813184066901 0.80952449556969 0.14133249636521 126.904 > 75 76 I 0.79813184066901 0.80952449556969 0.14133249636521 126.904 > 75 77 I 0.09073986376597 0.55997025690100 0.53857734956564 126.904 > 77 78 I 0.59073986376597 0.55997025690100 0.53857734956564 126.904 > 77 79 I 0.19988909558725 0.80136709692630 0.33031512130411 126.904 > 79 80 I 0.69988909558725 0.80136709692630 0.33031512130411 126.904 > 79 81 I 0.39456001349071 0.17556656234377 0.46761171097727 126.904 > 81 82 I 0.89456001349071 0.17556656234377 0.46761171097727 126.904 > 81 83 I 0.30011090441275 0.19863290307370 0.66968487869589 126.904 > 83 84 I 0.80011090441275 0.19863290307370 0.66968487869589 126.904 > 83 85 I 0.39456001349071 0.32443343765623 0.96761171097727 126.904 > 85 86 I 0.89456001349071 0.32443343765623 0.96761171097727 126.904 > 85 87 I 0.40926013623403 0.05997025690100 0.96142265043436 126.904 > 87 88 I 0.90926013623403 0.05997025690100 0.96142265043436 126.904 > 87 89 I 0.48691736898722 0.06478102283986 0.73772542000387 126.904 > 89 90 I 0.98691736898722 0.06478102283986 0.73772542000387 126.904 > 89 91 I 0.29649917759749 0.06593305858985 0.15105245113207 126.904 > 91 92 I 0.79649917759749 0.06593305858985 0.15105245113207 126.904 > 91 93 I 0.01308263101278 0.93521897716014 0.26227457999613 126.904 > 93 94 I 0.51308263101278 0.93521897716014 0.26227457999613 126.904 > 93 95 I 0.10543998650929 0.82443343765623 0.53238828902273 126.904 > 95 96 I 0.60543998650929 0.82443343765623 0.53238828902273 126.904 > 95 97 I 0.48691736898722 0.43521897716014 0.23772542000387 126.904 > 97 98 I 0.98691736898722 0.43521897716014 0.23772542000387 126.904 > 97 99 I 0.09679751344601 0.18388062818265 0.05529553830900 126.904 > 99 100 I 0.59679751344601 0.18388062818265 0.05529553830900 126.904 > 99 101 I 0.10543998650929 0.67556656234377 0.03238828902273 126.904 > 101 102 I 0.60543998650929 0.67556656234377 0.03238828902273 126.904 > 101 103 I 0.29813184066901 0.69047550443031 0.64133249636521 126.904 > 103 104 I 0.79813184066901 0.69047550443031 0.64133249636521 126.904 > 103 105 I 0.40320248655399 0.81611937181735 0.94470446169100 126.904 > 105 106 I 0.90320248655399 0.81611937181735 0.94470446169100 126.904 > 105 107 I 0.29649917759749 0.43406694141015 0.65105245113207 126.904 > 107 108 I 0.79649917759749 0.43406694141015 0.65105245113207 126.904 > 107 109 I 0.00255689500128 0.68310125288220 0.25266551557240 126.904 > 109 110 I 0.50255689500128 0.68310125288220 0.25266551557240 126.904 > 109 111 I 0.40926013623403 0.44002974309900 0.46142265043436 126.904 > 111 112 I 0.90926013623403 0.44002974309900 0.46142265043436 126.904 > 111 113 I 0.09603025932691 0.43505927771016 0.05492431691624 126.904 > 113 114 I 0.59603025932691 0.43505927771016 0.05492431691624 126.904 > 113 115 I 0.09603025932691 0.06494072228984 0.55492431691624 126.904 > 115 116 I 0.59603025932691 0.06494072228984 0.55492431691624 126.904 > 115 117 I 0.49744310499872 0.31689874711780 0.74733448442760 126.904 > 117 118 I 0.99744310499872 0.31689874711780 0.74733448442760 126.904 > 117 119 I 0.40396974067309 0.93505927771016 0.44507568308376 126.904 > 119 120 I 0.90396974067309 0.93505927771016 0.44507568308376 126.904 > 119 121 I 0.20350082240251 0.93406694141015 0.84894754886793 126.904 > 121 122 I 0.70350082240251 0.93406694141015 0.84894754886793 126.904 > 121 123 I 0.49744310499872 0.18310125288220 0.24733448442760 126.904 > 123 124 I 0.99744310499872 0.18310125288220 0.24733448442760 126.904 > 123 125 I 0.01308263101278 0.56478102283986 0.76227457999613 126.904 > 125 126 I 0.51308263101278 0.56478102283986 0.76227457999613 126.904 > 125 127 I 0.30011090441275 0.30136709692630 0.16968487869589 126.904 > 127 128 I 0.80011090441275 0.30136709692630 0.16968487869589 126.904 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3515759 0.0000000 -0.1283526 0.0000000 5.9687721 0.0000000 -0.1283853 0.0000000 6.2808842 -------------------------- Born effective charges -------------------------- 1 Dy 2.6439906 0.6360307 -0.2772118 0.5275876 3.3603759 -0.4481942 -0.4124831 -0.9007871 3.2562320 2 Dy 2.6158657 -0.5077425 -0.3690294 -0.6278517 3.5577598 0.4864082 -0.2814565 0.2163824 2.7053195 3 Dy 2.3036434 -0.5136894 -0.0416568 -0.6859588 2.9729462 0.7892679 -0.2586049 0.8136536 2.8356993 4 Dy 1.8493576 -0.2299202 0.1220049 -0.2767653 2.1129349 0.3642882 0.1753443 0.2606196 2.3590046 5 Dy 2.6439906 -0.6360307 -0.2772118 -0.5275876 3.3603759 0.4481942 -0.4124831 0.9007871 3.2562320 6 Dy 2.6158657 -0.5077425 -0.3690294 -0.6278517 3.5577598 0.4864082 -0.2814565 0.2163824 2.7053195 7 Dy 1.8493576 0.2299202 0.1220049 0.2767653 2.1129349 -0.3642882 0.1753443 -0.2606196 2.3590046 8 Dy 1.8493576 -0.2299202 0.1220049 -0.2767653 2.1129349 0.3642882 0.1753443 0.2606196 2.3590046 9 Dy 2.4726104 0.5528571 0.2673563 0.3968800 2.5127031 -0.3951141 0.8735412 -0.1575725 3.7356420 10 Dy 2.6158657 0.5077425 -0.3690294 0.6278517 3.5577598 -0.4864082 -0.2814565 -0.2163824 2.7053195 11 Dy 2.4726104 -0.5528571 0.2673563 -0.3968800 2.5127031 0.3951141 0.8735412 0.1575725 3.7356420 12 Dy 2.3036434 0.5136894 -0.0416568 0.6859588 2.9729462 -0.7892679 -0.2586049 -0.8136536 2.8356993 13 Dy 2.3036434 0.5136894 -0.0416568 0.6859588 2.9729462 -0.7892679 -0.2586049 -0.8136536 2.8356993 14 Dy 2.4726104 -0.5528571 0.2673563 -0.3968800 2.5127031 0.3951141 0.8735412 0.1575725 3.7356420 15 Dy 2.4726104 0.5528571 0.2673563 0.3968800 2.5127031 -0.3951141 0.8735412 -0.1575725 3.7356420 16 Dy 2.6439906 0.6360307 -0.2772118 0.5275876 3.3603759 -0.4481942 -0.4124831 -0.9007871 3.2562320 17 Dy 2.6158657 0.5077425 -0.3690294 0.6278517 3.5577598 -0.4864082 -0.2814565 -0.2163824 2.7053195 18 Dy 2.3036434 -0.5136894 -0.0416568 -0.6859588 2.9729462 0.7892679 -0.2586049 0.8136536 2.8356993 19 Dy 1.8493576 0.2299202 0.1220049 0.2767653 2.1129349 -0.3642882 0.1753443 -0.2606196 2.3590046 20 Dy 2.6439906 -0.6360307 -0.2772118 -0.5275876 3.3603759 0.4481942 -0.4124831 0.9007871 3.2562320 21 C -1.6572721 -0.2528970 0.3038105 -0.2893919 -1.9199674 -0.0131926 0.0402981 0.7075277 -2.5346551 22 C -1.6513733 0.2609831 0.0987317 0.1221097 -2.5425159 -0.1455191 0.2088691 0.3853244 -1.7929037 23 C -1.6572721 -0.2528970 0.3038105 -0.2893919 -1.9199674 -0.0131926 0.0402981 0.7075277 -2.5346551 24 C -1.6513733 -0.2609831 0.0987317 -0.1221097 -2.5425159 0.1455191 0.2088691 -0.3853244 -1.7929037 25 C -1.6572721 0.2528970 0.3038105 0.2893919 -1.9199674 0.0131926 0.0402981 -0.7075277 -2.5346551 26 C -1.6513733 -0.2609831 0.0987317 -0.1221097 -2.5425159 0.1455191 0.2088691 -0.3853244 -1.7929037 27 C -1.6572721 0.2528970 0.3038105 0.2893919 -1.9199674 0.0131926 0.0402981 -0.7075277 -2.5346551 28 C -1.6513733 0.2609831 0.0987317 0.1221097 -2.5425159 -0.1455191 0.2088691 0.3853244 -1.7929037 29 I -0.9729626 0.1927360 0.4463291 0.1165309 -1.1191793 -0.1090342 0.4309722 -0.0733506 -0.7096803 30 I -1.0335385 0.3501868 -0.3344601 0.3614556 -0.8030510 -0.1143271 -0.2611268 -0.1808530 -1.1406390 31 I -0.9745993 0.1090743 -0.6868083 0.1138077 -0.6645393 -0.2736596 -0.9417629 -0.2701631 -2.1933146 32 I -1.0152257 0.5550806 0.4869968 0.6585332 -1.8508851 -0.4701461 0.5995125 -0.5517608 -0.6862187 33 I -0.8440222 -0.3390960 0.1848461 -0.3908353 -1.4828195 0.3293995 0.2091805 0.3316523 -1.2125633 34 I -1.0152257 -0.5550806 0.4869968 -0.6585332 -1.8508851 0.4701461 0.5995125 0.5517608 -0.6862187 35 I -0.9990322 0.7465514 0.2592624 0.7737080 -1.5187040 -0.9558602 0.1465824 -0.8539777 -1.4787914 36 I -0.7138753 0.0221494 0.0025831 0.0247950 -0.8243035 -0.1021789 -0.0132743 -0.0860837 -0.8959193 37 I -0.9990322 0.7465514 0.2592624 0.7737080 -1.5187040 -0.9558602 0.1465824 -0.8539777 -1.4787914 38 I -1.0152257 0.5550806 0.4869968 0.6585332 -1.8508851 -0.4701461 0.5995125 -0.5517608 -0.6862187 39 I -0.9745993 -0.1090743 -0.6868083 -0.1138077 -0.6645393 0.2736596 -0.9417629 0.2701631 -2.1933146 40 I -0.8440222 0.3390960 0.1848461 0.3908353 -1.4828195 -0.3293995 0.2091805 -0.3316523 -1.2125633 41 I -1.0098039 -0.4408407 -0.2337032 -0.4125256 -0.8888557 0.3069634 -0.2441888 0.2528505 -1.1290872 42 I -0.8440222 0.3390960 0.1848461 0.3908353 -1.4828195 -0.3293995 0.2091805 -0.3316523 -1.2125633 43 I -1.0098039 0.4408407 -0.2337032 0.4125256 -0.8888557 -0.3069634 -0.2441888 -0.2528505 -1.1290872 44 I -0.9745993 0.1090743 -0.6868083 0.1138077 -0.6645393 -0.2736596 -0.9417629 -0.2701631 -2.1933146 45 I -1.0137626 -0.4746418 -0.2290514 -0.4413745 -0.9018993 0.2458552 -0.2714031 0.2425388 -1.1181248 46 I -0.9729626 -0.1927360 0.4463291 -0.1165309 -1.1191793 0.1090342 0.4309722 0.0733506 -0.7096803 47 I -1.0137626 -0.4746418 -0.2290514 -0.4413745 -0.9018993 0.2458552 -0.2714031 0.2425388 -1.1181248 48 I -1.0098039 -0.4408407 -0.2337032 -0.4125256 -0.8888557 0.3069634 -0.2441888 0.2528505 -1.1290872 49 I -1.0137626 0.4746418 -0.2290514 0.4413745 -0.9018993 -0.2458552 -0.2714031 -0.2425388 -1.1181248 50 I -0.9990322 -0.7465514 0.2592624 -0.7737080 -1.5187040 0.9558602 0.1465824 0.8539777 -1.4787914 51 I -1.0098039 0.4408407 -0.2337032 0.4125256 -0.8888557 -0.3069634 -0.2441888 -0.2528505 -1.1290872 52 I -1.0152257 -0.5550806 0.4869968 -0.6585332 -1.8508851 0.4701461 0.5995125 0.5517608 -0.6862187 53 I -0.9990322 -0.7465514 0.2592624 -0.7737080 -1.5187040 0.9558602 0.1465824 0.8539777 -1.4787914 54 I -0.9729626 0.1927360 0.4463291 0.1165309 -1.1191793 -0.1090342 0.4309722 -0.0733506 -0.7096803 55 I -1.0335385 -0.3501868 -0.3344601 -0.3614556 -0.8030510 0.1143271 -0.2611268 0.1808530 -1.1406390 56 I -0.9745993 -0.1090743 -0.6868083 -0.1138077 -0.6645393 0.2736596 -0.9417629 0.2701631 -2.1933146 57 I -0.7138753 0.0221494 0.0025831 0.0247950 -0.8243035 -0.1021789 -0.0132743 -0.0860837 -0.8959193 58 I -0.7138753 -0.0221494 0.0025831 -0.0247950 -0.8243035 0.1021789 -0.0132743 0.0860837 -0.8959193 59 I -1.0335385 -0.3501868 -0.3344601 -0.3614556 -0.8030510 0.1143271 -0.2611268 0.1808530 -1.1406390 60 I -0.7138753 -0.0221494 0.0025831 -0.0247950 -0.8243035 0.1021789 -0.0132743 0.0860837 -0.8959193 61 I -0.9729626 -0.1927360 0.4463291 -0.1165309 -1.1191793 0.1090342 0.4309722 0.0733506 -0.7096803 62 I -1.0335385 0.3501868 -0.3344601 0.3614556 -0.8030510 -0.1143271 -0.2611268 -0.1808530 -1.1406390 63 I -1.0137626 0.4746418 -0.2290514 0.4413745 -0.9018993 -0.2458552 -0.2714031 -0.2425388 -1.1181248 64 I -0.8440222 -0.3390960 0.1848461 -0.3908353 -1.4828195 0.3293995 0.2091805 0.3316523 -1.2125633 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 7, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 43, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 59, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 63, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 71, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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 (xy) 0.00000000 (xy) 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 19:02:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:02:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 10.523907601306059 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): 1 Dy 0.49071895468380 0.55482114805408 0.74550767131293 162.500 2 Dy 0.70269404666896 0.81940203505096 0.55244723895953 162.500 3 Dy 0.48390317276376 0.34302066794965 0.78145122079140 162.500 4 Dy 0.65304205523038 0.45926704759120 0.03487883920816 162.500 5 Dy 0.50928104531620 0.05482114805408 0.75449232868707 162.500 6 Dy 0.29730595333104 0.18059796494904 0.44755276104047 162.500 7 Dy 0.34695794476962 0.95926704759120 0.46512116079185 162.500 8 Dy 0.34695794476962 0.54073295240880 0.96512116079184 162.500 9 Dy 0.84396035162227 0.94221902227892 0.80404556650913 162.500 10 Dy 0.29730595333104 0.31940203505096 0.94755276104047 162.500 11 Dy 0.84396035162227 0.55778097772108 0.30404556650913 162.500 12 Dy 0.48390317276376 0.15697933205035 0.28145122079140 162.500 13 Dy 0.51609682723624 0.84302066794965 0.71854877920860 162.500 14 Dy 0.15603964837773 0.44221902227892 0.69595443349087 162.500 15 Dy 0.15603964837773 0.05778097772108 0.19595443349087 162.500 16 Dy 0.50928104531620 0.44517885194592 0.25449232868707 162.500 17 Dy 0.70269404666896 0.68059796494904 0.05244723895953 162.500 18 Dy 0.51609682723624 0.65697933205035 0.21854877920860 162.500 19 Dy 0.65304205523038 0.04073295240880 0.53487883920816 162.500 20 Dy 0.49071895468380 0.94517885194592 0.24550767131293 162.500 21 C 0.56930113636756 0.53051795254745 0.16416364092617 12.011 22 C 0.62448936150599 0.91490304433975 0.61718189449893 12.011 23 C 0.43069886363244 0.46948204745255 0.83583635907383 12.011 24 C 0.37551063849401 0.41490304433975 0.88281810550107 12.011 25 C 0.56930113636756 0.96948204745255 0.66416364092617 12.011 26 C 0.62448936150599 0.58509695566025 0.11718189449893 12.011 27 C 0.43069886363244 0.03051795254745 0.33583635907383 12.011 28 C 0.37551063849401 0.08509695566025 0.38281810550107 12.011 29 I 0.40700164480502 0.56593305858985 0.34894754886793 126.904 30 I 0.00511379000257 0.81689874711780 0.75266551557240 126.904 31 I 0.18147972753193 0.94002974309900 0.03857734956564 126.904 32 I 0.40373631866198 0.19047550443031 0.85866750363479 126.904 33 I 0.39977819117450 0.69863290307370 0.83031512130411 126.904 34 I 0.40373631866198 0.30952449556969 0.35866750363479 126.904 35 I 0.19359502689201 0.31611937181735 0.55529553830900 126.904 36 I 0.80793948134617 0.56494072228984 0.94507568308376 126.904 37 I 0.80640497310799 0.68388062818265 0.44470446169100 126.904 38 I 0.59626368133802 0.80952449556969 0.14133249636521 126.904 39 I 0.18147972753193 0.55997025690100 0.53857734956564 126.904 40 I 0.39977819117450 0.80136709692630 0.33031512130411 126.904 41 I 0.78912002698141 0.17556656234377 0.46761171097727 126.904 42 I 0.60022180882550 0.19863290307370 0.66968487869589 126.904 43 I 0.78912002698141 0.32443343765623 0.96761171097727 126.904 44 I 0.81852027246807 0.05997025690100 0.96142265043436 126.904 45 I 0.97383473797443 0.06478102283986 0.73772542000387 126.904 46 I 0.59299835519498 0.06593305858985 0.15105245113207 126.904 47 I 0.02616526202557 0.93521897716014 0.26227457999613 126.904 48 I 0.21087997301859 0.82443343765623 0.53238828902273 126.904 49 I 0.97383473797443 0.43521897716014 0.23772542000387 126.904 50 I 0.19359502689201 0.18388062818265 0.05529553830900 126.904 51 I 0.21087997301859 0.67556656234377 0.03238828902273 126.904 52 I 0.59626368133802 0.69047550443031 0.64133249636521 126.904 53 I 0.80640497310799 0.81611937181735 0.94470446169100 126.904 54 I 0.59299835519498 0.43406694141015 0.65105245113207 126.904 55 I 0.00511379000257 0.68310125288220 0.25266551557240 126.904 56 I 0.81852027246807 0.44002974309900 0.46142265043436 126.904 57 I 0.19206051865383 0.43505927771016 0.05492431691624 126.904 58 I 0.19206051865383 0.06494072228984 0.55492431691624 126.904 59 I 0.99488620999743 0.31689874711780 0.74733448442760 126.904 60 I 0.80793948134617 0.93505927771016 0.44507568308376 126.904 61 I 0.40700164480502 0.93406694141015 0.84894754886793 126.904 62 I 0.99488620999743 0.18310125288220 0.24733448442760 126.904 63 I 0.02616526202557 0.56478102283986 0.76227457999613 126.904 64 I 0.60022180882550 0.30136709692630 0.16968487869589 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.047815202612117 0.000000000000000 0.000000000000000 b 0.000000000000000 17.013629420000004 0.000000000000000 c -7.298228437369559 0.000000000000000 11.837398932170228 Atomic positions (fractional): 1 Dy 0.24535947734190 0.55482114805408 0.74550767131293 162.500 > 1 2 Dy 0.74535947734190 0.55482114805408 0.74550767131293 162.500 > 1 3 Dy 0.35134702333448 0.81940203505096 0.55244723895953 162.500 > 3 4 Dy 0.85134702333448 0.81940203505096 0.55244723895953 162.500 > 3 5 Dy 0.24195158638188 0.34302066794965 0.78145122079140 162.500 > 5 6 Dy 0.74195158638188 0.34302066794965 0.78145122079140 162.500 > 5 7 Dy 0.32652102761519 0.45926704759120 0.03487883920816 162.500 > 7 8 Dy 0.82652102761519 0.45926704759120 0.03487883920816 162.500 > 7 9 Dy 0.25464052265810 0.05482114805408 0.75449232868707 162.500 > 9 10 Dy 0.75464052265810 0.05482114805408 0.75449232868707 162.500 > 9 11 Dy 0.14865297666552 0.18059796494904 0.44755276104047 162.500 > 11 12 Dy 0.64865297666552 0.18059796494904 0.44755276104047 162.500 > 11 13 Dy 0.17347897238481 0.95926704759120 0.46512116079185 162.500 > 13 14 Dy 0.67347897238481 0.95926704759120 0.46512116079185 162.500 > 13 15 Dy 0.17347897238481 0.54073295240880 0.96512116079184 162.500 > 15 16 Dy 0.67347897238481 0.54073295240880 0.96512116079184 162.500 > 15 17 Dy 0.42198017581114 0.94221902227892 0.80404556650913 162.500 > 17 18 Dy 0.92198017581114 0.94221902227892 0.80404556650913 162.500 > 17 19 Dy 0.14865297666552 0.31940203505096 0.94755276104047 162.500 > 19 20 Dy 0.64865297666552 0.31940203505096 0.94755276104047 162.500 > 19 21 Dy 0.42198017581114 0.55778097772108 0.30404556650913 162.500 > 21 22 Dy 0.92198017581114 0.55778097772108 0.30404556650913 162.500 > 21 23 Dy 0.24195158638188 0.15697933205035 0.28145122079140 162.500 > 23 24 Dy 0.74195158638188 0.15697933205035 0.28145122079140 162.500 > 23 25 Dy 0.25804841361812 0.84302066794965 0.71854877920860 162.500 > 25 26 Dy 0.75804841361812 0.84302066794965 0.71854877920860 162.500 > 25 27 Dy 0.07801982418886 0.44221902227892 0.69595443349087 162.500 > 27 28 Dy 0.57801982418886 0.44221902227892 0.69595443349087 162.500 > 27 29 Dy 0.07801982418886 0.05778097772108 0.19595443349087 162.500 > 29 30 Dy 0.57801982418886 0.05778097772108 0.19595443349087 162.500 > 29 31 Dy 0.25464052265810 0.44517885194592 0.25449232868707 162.500 > 31 32 Dy 0.75464052265810 0.44517885194592 0.25449232868707 162.500 > 31 33 Dy 0.35134702333448 0.68059796494904 0.05244723895953 162.500 > 33 34 Dy 0.85134702333448 0.68059796494904 0.05244723895953 162.500 > 33 35 Dy 0.25804841361812 0.65697933205035 0.21854877920860 162.500 > 35 36 Dy 0.75804841361812 0.65697933205035 0.21854877920860 162.500 > 35 37 Dy 0.32652102761519 0.04073295240880 0.53487883920816 162.500 > 37 38 Dy 0.82652102761519 0.04073295240880 0.53487883920816 162.500 > 37 39 Dy 0.24535947734190 0.94517885194592 0.24550767131293 162.500 > 39 40 Dy 0.74535947734190 0.94517885194592 0.24550767131293 162.500 > 39 41 C 0.28465056818378 0.53051795254745 0.16416364092617 12.011 > 41 42 C 0.78465056818378 0.53051795254745 0.16416364092617 12.011 > 41 43 C 0.31224468075299 0.91490304433975 0.61718189449893 12.011 > 43 44 C 0.81224468075299 0.91490304433975 0.61718189449893 12.011 > 43 45 C 0.21534943181622 0.46948204745255 0.83583635907383 12.011 > 45 46 C 0.71534943181622 0.46948204745255 0.83583635907383 12.011 > 45 47 C 0.18775531924701 0.41490304433975 0.88281810550107 12.011 > 47 48 C 0.68775531924701 0.41490304433975 0.88281810550107 12.011 > 47 49 C 0.28465056818378 0.96948204745255 0.66416364092617 12.011 > 49 50 C 0.78465056818378 0.96948204745255 0.66416364092617 12.011 > 49 51 C 0.31224468075299 0.58509695566025 0.11718189449893 12.011 > 51 52 C 0.81224468075299 0.58509695566025 0.11718189449893 12.011 > 51 53 C 0.21534943181622 0.03051795254745 0.33583635907383 12.011 > 53 54 C 0.71534943181622 0.03051795254745 0.33583635907383 12.011 > 53 55 C 0.18775531924701 0.08509695566025 0.38281810550107 12.011 > 55 56 C 0.68775531924701 0.08509695566025 0.38281810550107 12.011 > 55 57 I 0.20350082240251 0.56593305858985 0.34894754886793 126.904 > 57 58 I 0.70350082240251 0.56593305858985 0.34894754886793 126.904 > 57 59 I 0.00255689500128 0.81689874711780 0.75266551557240 126.904 > 59 60 I 0.50255689500128 0.81689874711780 0.75266551557240 126.904 > 59 61 I 0.09073986376597 0.94002974309900 0.03857734956564 126.904 > 61 62 I 0.59073986376597 0.94002974309900 0.03857734956564 126.904 > 61 63 I 0.20186815933099 0.19047550443031 0.85866750363479 126.904 > 63 64 I 0.70186815933099 0.19047550443031 0.85866750363479 126.904 > 63 65 I 0.19988909558725 0.69863290307370 0.83031512130411 126.904 > 65 66 I 0.69988909558725 0.69863290307370 0.83031512130411 126.904 > 65 67 I 0.20186815933099 0.30952449556969 0.35866750363479 126.904 > 67 68 I 0.70186815933099 0.30952449556969 0.35866750363479 126.904 > 67 69 I 0.09679751344601 0.31611937181735 0.55529553830900 126.904 > 69 70 I 0.59679751344601 0.31611937181735 0.55529553830900 126.904 > 69 71 I 0.40396974067309 0.56494072228984 0.94507568308376 126.904 > 71 72 I 0.90396974067309 0.56494072228984 0.94507568308376 126.904 > 71 73 I 0.40320248655399 0.68388062818265 0.44470446169100 126.904 > 73 74 I 0.90320248655399 0.68388062818265 0.44470446169100 126.904 > 73 75 I 0.29813184066901 0.80952449556969 0.14133249636521 126.904 > 75 76 I 0.79813184066901 0.80952449556969 0.14133249636521 126.904 > 75 77 I 0.09073986376597 0.55997025690100 0.53857734956564 126.904 > 77 78 I 0.59073986376597 0.55997025690100 0.53857734956564 126.904 > 77 79 I 0.19988909558725 0.80136709692630 0.33031512130411 126.904 > 79 80 I 0.69988909558725 0.80136709692630 0.33031512130411 126.904 > 79 81 I 0.39456001349071 0.17556656234377 0.46761171097727 126.904 > 81 82 I 0.89456001349071 0.17556656234377 0.46761171097727 126.904 > 81 83 I 0.30011090441275 0.19863290307370 0.66968487869589 126.904 > 83 84 I 0.80011090441275 0.19863290307370 0.66968487869589 126.904 > 83 85 I 0.39456001349071 0.32443343765623 0.96761171097727 126.904 > 85 86 I 0.89456001349071 0.32443343765623 0.96761171097727 126.904 > 85 87 I 0.40926013623403 0.05997025690100 0.96142265043436 126.904 > 87 88 I 0.90926013623403 0.05997025690100 0.96142265043436 126.904 > 87 89 I 0.48691736898722 0.06478102283986 0.73772542000387 126.904 > 89 90 I 0.98691736898722 0.06478102283986 0.73772542000387 126.904 > 89 91 I 0.29649917759749 0.06593305858985 0.15105245113207 126.904 > 91 92 I 0.79649917759749 0.06593305858985 0.15105245113207 126.904 > 91 93 I 0.01308263101278 0.93521897716014 0.26227457999613 126.904 > 93 94 I 0.51308263101278 0.93521897716014 0.26227457999613 126.904 > 93 95 I 0.10543998650929 0.82443343765623 0.53238828902273 126.904 > 95 96 I 0.60543998650929 0.82443343765623 0.53238828902273 126.904 > 95 97 I 0.48691736898722 0.43521897716014 0.23772542000387 126.904 > 97 98 I 0.98691736898722 0.43521897716014 0.23772542000387 126.904 > 97 99 I 0.09679751344601 0.18388062818265 0.05529553830900 126.904 > 99 100 I 0.59679751344601 0.18388062818265 0.05529553830900 126.904 > 99 101 I 0.10543998650929 0.67556656234377 0.03238828902273 126.904 > 101 102 I 0.60543998650929 0.67556656234377 0.03238828902273 126.904 > 101 103 I 0.29813184066901 0.69047550443031 0.64133249636521 126.904 > 103 104 I 0.79813184066901 0.69047550443031 0.64133249636521 126.904 > 103 105 I 0.40320248655399 0.81611937181735 0.94470446169100 126.904 > 105 106 I 0.90320248655399 0.81611937181735 0.94470446169100 126.904 > 105 107 I 0.29649917759749 0.43406694141015 0.65105245113207 126.904 > 107 108 I 0.79649917759749 0.43406694141015 0.65105245113207 126.904 > 107 109 I 0.00255689500128 0.68310125288220 0.25266551557240 126.904 > 109 110 I 0.50255689500128 0.68310125288220 0.25266551557240 126.904 > 109 111 I 0.40926013623403 0.44002974309900 0.46142265043436 126.904 > 111 112 I 0.90926013623403 0.44002974309900 0.46142265043436 126.904 > 111 113 I 0.09603025932691 0.43505927771016 0.05492431691624 126.904 > 113 114 I 0.59603025932691 0.43505927771016 0.05492431691624 126.904 > 113 115 I 0.09603025932691 0.06494072228984 0.55492431691624 126.904 > 115 116 I 0.59603025932691 0.06494072228984 0.55492431691624 126.904 > 115 117 I 0.49744310499872 0.31689874711780 0.74733448442760 126.904 > 117 118 I 0.99744310499872 0.31689874711780 0.74733448442760 126.904 > 117 119 I 0.40396974067309 0.93505927771016 0.44507568308376 126.904 > 119 120 I 0.90396974067309 0.93505927771016 0.44507568308376 126.904 > 119 121 I 0.20350082240251 0.93406694141015 0.84894754886793 126.904 > 121 122 I 0.70350082240251 0.93406694141015 0.84894754886793 126.904 > 121 123 I 0.49744310499872 0.18310125288220 0.24733448442760 126.904 > 123 124 I 0.99744310499872 0.18310125288220 0.24733448442760 126.904 > 123 125 I 0.01308263101278 0.56478102283986 0.76227457999613 126.904 > 125 126 I 0.51308263101278 0.56478102283986 0.76227457999613 126.904 > 125 127 I 0.30011090441275 0.30136709692630 0.16968487869589 126.904 > 127 128 I 0.80011090441275 0.30136709692630 0.16968487869589 126.904 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3515759 0.0000000 -0.1283526 0.0000000 5.9687721 0.0000000 -0.1283853 0.0000000 6.2808842 -------------------------- Born effective charges -------------------------- 1 Dy 2.6439906 0.6360307 -0.2772118 0.5275876 3.3603759 -0.4481942 -0.4124831 -0.9007871 3.2562320 2 Dy 2.6158657 -0.5077425 -0.3690294 -0.6278517 3.5577598 0.4864082 -0.2814565 0.2163824 2.7053195 3 Dy 2.3036434 -0.5136894 -0.0416568 -0.6859588 2.9729462 0.7892679 -0.2586049 0.8136536 2.8356993 4 Dy 1.8493576 -0.2299202 0.1220049 -0.2767653 2.1129349 0.3642882 0.1753443 0.2606196 2.3590046 5 Dy 2.6439906 -0.6360307 -0.2772118 -0.5275876 3.3603759 0.4481942 -0.4124831 0.9007871 3.2562320 6 Dy 2.6158657 -0.5077425 -0.3690294 -0.6278517 3.5577598 0.4864082 -0.2814565 0.2163824 2.7053195 7 Dy 1.8493576 0.2299202 0.1220049 0.2767653 2.1129349 -0.3642882 0.1753443 -0.2606196 2.3590046 8 Dy 1.8493576 -0.2299202 0.1220049 -0.2767653 2.1129349 0.3642882 0.1753443 0.2606196 2.3590046 9 Dy 2.4726104 0.5528571 0.2673563 0.3968800 2.5127031 -0.3951141 0.8735412 -0.1575725 3.7356420 10 Dy 2.6158657 0.5077425 -0.3690294 0.6278517 3.5577598 -0.4864082 -0.2814565 -0.2163824 2.7053195 11 Dy 2.4726104 -0.5528571 0.2673563 -0.3968800 2.5127031 0.3951141 0.8735412 0.1575725 3.7356420 12 Dy 2.3036434 0.5136894 -0.0416568 0.6859588 2.9729462 -0.7892679 -0.2586049 -0.8136536 2.8356993 13 Dy 2.3036434 0.5136894 -0.0416568 0.6859588 2.9729462 -0.7892679 -0.2586049 -0.8136536 2.8356993 14 Dy 2.4726104 -0.5528571 0.2673563 -0.3968800 2.5127031 0.3951141 0.8735412 0.1575725 3.7356420 15 Dy 2.4726104 0.5528571 0.2673563 0.3968800 2.5127031 -0.3951141 0.8735412 -0.1575725 3.7356420 16 Dy 2.6439906 0.6360307 -0.2772118 0.5275876 3.3603759 -0.4481942 -0.4124831 -0.9007871 3.2562320 17 Dy 2.6158657 0.5077425 -0.3690294 0.6278517 3.5577598 -0.4864082 -0.2814565 -0.2163824 2.7053195 18 Dy 2.3036434 -0.5136894 -0.0416568 -0.6859588 2.9729462 0.7892679 -0.2586049 0.8136536 2.8356993 19 Dy 1.8493576 0.2299202 0.1220049 0.2767653 2.1129349 -0.3642882 0.1753443 -0.2606196 2.3590046 20 Dy 2.6439906 -0.6360307 -0.2772118 -0.5275876 3.3603759 0.4481942 -0.4124831 0.9007871 3.2562320 21 C -1.6572721 -0.2528970 0.3038105 -0.2893919 -1.9199674 -0.0131926 0.0402981 0.7075277 -2.5346551 22 C -1.6513733 0.2609831 0.0987317 0.1221097 -2.5425159 -0.1455191 0.2088691 0.3853244 -1.7929037 23 C -1.6572721 -0.2528970 0.3038105 -0.2893919 -1.9199674 -0.0131926 0.0402981 0.7075277 -2.5346551 24 C -1.6513733 -0.2609831 0.0987317 -0.1221097 -2.5425159 0.1455191 0.2088691 -0.3853244 -1.7929037 25 C -1.6572721 0.2528970 0.3038105 0.2893919 -1.9199674 0.0131926 0.0402981 -0.7075277 -2.5346551 26 C -1.6513733 -0.2609831 0.0987317 -0.1221097 -2.5425159 0.1455191 0.2088691 -0.3853244 -1.7929037 27 C -1.6572721 0.2528970 0.3038105 0.2893919 -1.9199674 0.0131926 0.0402981 -0.7075277 -2.5346551 28 C -1.6513733 0.2609831 0.0987317 0.1221097 -2.5425159 -0.1455191 0.2088691 0.3853244 -1.7929037 29 I -0.9729626 0.1927360 0.4463291 0.1165309 -1.1191793 -0.1090342 0.4309722 -0.0733506 -0.7096803 30 I -1.0335385 0.3501868 -0.3344601 0.3614556 -0.8030510 -0.1143271 -0.2611268 -0.1808530 -1.1406390 31 I -0.9745993 0.1090743 -0.6868083 0.1138077 -0.6645393 -0.2736596 -0.9417629 -0.2701631 -2.1933146 32 I -1.0152257 0.5550806 0.4869968 0.6585332 -1.8508851 -0.4701461 0.5995125 -0.5517608 -0.6862187 33 I -0.8440222 -0.3390960 0.1848461 -0.3908353 -1.4828195 0.3293995 0.2091805 0.3316523 -1.2125633 34 I -1.0152257 -0.5550806 0.4869968 -0.6585332 -1.8508851 0.4701461 0.5995125 0.5517608 -0.6862187 35 I -0.9990322 0.7465514 0.2592624 0.7737080 -1.5187040 -0.9558602 0.1465824 -0.8539777 -1.4787914 36 I -0.7138753 0.0221494 0.0025831 0.0247950 -0.8243035 -0.1021789 -0.0132743 -0.0860837 -0.8959193 37 I -0.9990322 0.7465514 0.2592624 0.7737080 -1.5187040 -0.9558602 0.1465824 -0.8539777 -1.4787914 38 I -1.0152257 0.5550806 0.4869968 0.6585332 -1.8508851 -0.4701461 0.5995125 -0.5517608 -0.6862187 39 I -0.9745993 -0.1090743 -0.6868083 -0.1138077 -0.6645393 0.2736596 -0.9417629 0.2701631 -2.1933146 40 I -0.8440222 0.3390960 0.1848461 0.3908353 -1.4828195 -0.3293995 0.2091805 -0.3316523 -1.2125633 41 I -1.0098039 -0.4408407 -0.2337032 -0.4125256 -0.8888557 0.3069634 -0.2441888 0.2528505 -1.1290872 42 I -0.8440222 0.3390960 0.1848461 0.3908353 -1.4828195 -0.3293995 0.2091805 -0.3316523 -1.2125633 43 I -1.0098039 0.4408407 -0.2337032 0.4125256 -0.8888557 -0.3069634 -0.2441888 -0.2528505 -1.1290872 44 I -0.9745993 0.1090743 -0.6868083 0.1138077 -0.6645393 -0.2736596 -0.9417629 -0.2701631 -2.1933146 45 I -1.0137626 -0.4746418 -0.2290514 -0.4413745 -0.9018993 0.2458552 -0.2714031 0.2425388 -1.1181248 46 I -0.9729626 -0.1927360 0.4463291 -0.1165309 -1.1191793 0.1090342 0.4309722 0.0733506 -0.7096803 47 I -1.0137626 -0.4746418 -0.2290514 -0.4413745 -0.9018993 0.2458552 -0.2714031 0.2425388 -1.1181248 48 I -1.0098039 -0.4408407 -0.2337032 -0.4125256 -0.8888557 0.3069634 -0.2441888 0.2528505 -1.1290872 49 I -1.0137626 0.4746418 -0.2290514 0.4413745 -0.9018993 -0.2458552 -0.2714031 -0.2425388 -1.1181248 50 I -0.9990322 -0.7465514 0.2592624 -0.7737080 -1.5187040 0.9558602 0.1465824 0.8539777 -1.4787914 51 I -1.0098039 0.4408407 -0.2337032 0.4125256 -0.8888557 -0.3069634 -0.2441888 -0.2528505 -1.1290872 52 I -1.0152257 -0.5550806 0.4869968 -0.6585332 -1.8508851 0.4701461 0.5995125 0.5517608 -0.6862187 53 I -0.9990322 -0.7465514 0.2592624 -0.7737080 -1.5187040 0.9558602 0.1465824 0.8539777 -1.4787914 54 I -0.9729626 0.1927360 0.4463291 0.1165309 -1.1191793 -0.1090342 0.4309722 -0.0733506 -0.7096803 55 I -1.0335385 -0.3501868 -0.3344601 -0.3614556 -0.8030510 0.1143271 -0.2611268 0.1808530 -1.1406390 56 I -0.9745993 -0.1090743 -0.6868083 -0.1138077 -0.6645393 0.2736596 -0.9417629 0.2701631 -2.1933146 57 I -0.7138753 0.0221494 0.0025831 0.0247950 -0.8243035 -0.1021789 -0.0132743 -0.0860837 -0.8959193 58 I -0.7138753 -0.0221494 0.0025831 -0.0247950 -0.8243035 0.1021789 -0.0132743 0.0860837 -0.8959193 59 I -1.0335385 -0.3501868 -0.3344601 -0.3614556 -0.8030510 0.1143271 -0.2611268 0.1808530 -1.1406390 60 I -0.7138753 -0.0221494 0.0025831 -0.0247950 -0.8243035 0.1021789 -0.0132743 0.0860837 -0.8959193 61 I -0.9729626 -0.1927360 0.4463291 -0.1165309 -1.1191793 0.1090342 0.4309722 0.0733506 -0.7096803 62 I -1.0335385 0.3501868 -0.3344601 0.3614556 -0.8030510 -0.1143271 -0.2611268 -0.1808530 -1.1406390 63 I -1.0137626 0.4746418 -0.2290514 0.4413745 -0.9018993 -0.2458552 -0.2714031 -0.2425388 -1.1181248 64 I -0.8440222 -0.3390960 0.1848461 -0.3908353 -1.4828195 0.3293995 0.2091805 0.3316523 -1.2125633 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 3 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.32, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/28) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.616 ( 0.000 0.000 0.000) 0.000 0.628 ( 0.000 0.000 0.000) 0.000 0.790 ( 0.000 0.000 0.000) 0.000 0.811 ( 0.000 0.000 0.000) 0.000 0.835 ( 0.000 0.000 0.000) 0.000 0.892 ( 0.000 0.000 0.000) 0.000 0.899 ( 0.000 0.000 0.000) 0.000 0.957 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 0.993 ( 0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.722 ( 0.000 0.000 0.000) 0.000 11.725 ( 0.000 0.000 0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.522 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 13.663 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 13.941 ( 0.000 0.000 0.000) 0.000 15.212 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 17.262 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 17.436 ( 0.000 0.000 0.000) 0.000 17.611 ( 0.000 0.000 0.000) 0.000 36.240 ( 0.000 0.000 0.000) 0.000 36.240 ( 0.000 0.000 0.000) 0.000 36.571 ( 0.000 0.000 0.000) 0.000 36.586 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/28) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 9.710 0.000 6.247) 11.546 0.238 ( 9.403 0.000 7.822) 12.231 0.345 ( 8.938 0.000 19.062) 21.054 0.632 ( -0.699 0.000 3.357) 3.429 0.640 ( 0.929 0.000 0.647) 1.132 0.762 ( 1.774 0.000 -1.828) 2.547 0.781 ( -1.388 0.000 -5.054) 5.241 0.854 ( 1.833 0.000 -1.952) 2.678 0.880 ( -3.427 0.000 -5.505) 6.485 0.898 ( 0.157 0.000 1.794) 1.801 0.919 ( 0.473 0.000 3.693) 3.723 0.954 ( -1.640 0.000 -1.979) 2.570 0.999 ( 0.740 0.000 0.047) 0.742 1.016 ( -1.146 0.000 -2.416) 2.674 1.023 ( -0.233 0.000 -0.252) 0.343 1.034 ( -0.010 0.000 0.615) 0.615 1.086 ( 0.076 0.000 1.081) 1.084 1.094 ( -0.170 0.000 -0.144) 0.223 1.172 ( 0.570 0.000 3.122) 3.173 1.187 ( 0.928 0.000 1.989) 2.195 1.248 ( 0.018 0.000 1.549) 1.550 1.281 ( 0.544 0.000 0.148) 0.564 1.297 ( -0.389 0.000 0.818) 0.906 1.304 ( 0.288 0.000 0.212) 0.358 1.327 ( 0.642 0.000 3.315) 3.377 1.343 ( -0.106 0.000 -0.469) 0.480 1.369 ( 0.341 0.000 1.237) 1.283 1.381 ( -1.049 0.000 -0.081) 1.052 1.392 ( 0.433 0.000 2.408) 2.447 1.420 ( -0.384 0.000 -0.032) 0.386 1.435 ( -1.035 0.000 0.328) 1.086 1.443 ( -1.169 0.000 0.085) 1.172 1.457 ( -0.265 0.000 -1.067) 1.099 1.464 ( -1.369 0.000 0.817) 1.594 1.469 ( -0.369 0.000 1.376) 1.424 1.488 ( -0.753 0.000 0.027) 0.754 1.507 ( 0.804 0.000 -0.204) 0.829 1.511 ( 0.436 0.000 0.131) 0.455 1.522 ( -0.575 0.000 -1.142) 1.279 1.532 ( 0.437 0.000 -1.187) 1.265 1.544 ( 0.290 0.000 0.526) 0.601 1.561 ( 0.295 0.000 -0.327) 0.440 1.579 ( 0.634 0.000 0.279) 0.692 1.593 ( 0.376 0.000 0.153) 0.406 1.597 ( -0.370 0.000 0.192) 0.417 1.620 ( -0.938 0.000 -0.229) 0.965 1.675 ( -1.441 0.000 -1.102) 1.814 1.683 ( 0.261 0.000 -1.320) 1.346 1.694 ( -0.638 0.000 0.138) 0.653 1.718 ( -0.053 0.000 -2.093) 2.093 1.727 ( 0.118 0.000 -1.477) 1.482 1.747 ( 0.024 0.000 -1.834) 1.834 1.758 ( -0.066 0.000 0.783) 0.786 1.783 ( -0.391 0.000 0.448) 0.595 1.784 ( -0.104 0.000 0.762) 0.769 1.822 ( 0.269 0.000 -0.100) 0.287 1.829 ( -0.082 0.000 -2.270) 2.272 1.839 ( -0.758 0.000 -0.988) 1.245 1.848 ( -0.136 0.000 -0.709) 0.722 1.861 ( -0.554 0.000 -0.674) 0.872 1.892 ( -0.275 0.000 0.029) 0.277 1.896 ( -0.013 0.000 -0.373) 0.373 2.030 ( -0.390 0.000 -1.134) 1.199 2.053 ( -0.418 0.000 -0.241) 0.482 2.077 ( -0.528 0.000 -0.494) 0.723 2.078 ( -0.373 0.000 -0.738) 0.827 2.097 ( 0.422 0.000 -0.021) 0.423 2.102 ( 0.757 0.000 0.157) 0.773 2.152 ( 0.139 0.000 0.041) 0.145 2.163 ( 0.057 0.000 -0.769) 0.771 2.196 ( 0.774 0.000 0.115) 0.782 2.237 ( 0.864 0.000 -1.256) 1.524 2.312 ( -0.295 0.000 0.013) 0.295 2.323 ( -0.145 0.000 0.190) 0.239 2.409 ( 0.581 0.000 0.841) 1.022 2.451 ( -0.103 0.000 -0.263) 0.283 2.471 ( -0.328 0.000 0.320) 0.458 2.492 ( -0.122 0.000 -0.277) 0.303 2.499 ( 0.046 0.000 -0.583) 0.585 2.519 ( 0.074 0.000 0.585) 0.589 2.537 ( 0.298 0.000 -0.305) 0.427 2.551 ( -0.708 0.000 1.386) 1.557 2.579 ( -0.204 0.000 -0.253) 0.325 2.597 ( -0.090 0.000 0.110) 0.142 2.605 ( -0.197 0.000 -0.255) 0.322 2.609 ( -0.086 0.000 0.524) 0.531 2.649 ( 0.295 0.000 -0.233) 0.375 2.659 ( -1.716 0.000 2.366) 2.923 2.714 ( -0.048 0.000 0.497) 0.499 2.752 ( 0.456 0.000 -2.225) 2.271 2.765 ( -1.194 0.000 2.246) 2.544 2.814 ( -0.349 0.000 0.058) 0.353 2.834 ( 1.097 0.000 -0.878) 1.405 2.856 ( 0.761 0.000 0.313) 0.823 2.881 ( 0.646 0.000 -0.697) 0.950 2.883 ( -1.932 0.000 -1.010) 2.180 2.894 ( -0.062 0.000 0.173) 0.184 2.933 ( 0.017 0.000 -1.149) 1.149 2.993 ( 0.013 0.000 -1.871) 1.871 3.009 ( -0.049 0.000 0.423) 0.425 3.032 ( 0.369 0.000 0.436) 0.571 3.057 ( 1.833 0.000 2.420) 3.036 3.067 ( -1.465 0.000 0.142) 1.472 3.118 ( -0.035 0.000 0.398) 0.400 3.184 ( -0.433 0.000 -0.593) 0.734 3.194 ( -0.059 0.000 0.063) 0.086 3.223 ( 0.454 0.000 -0.238) 0.513 3.248 ( 0.189 0.000 -0.568) 0.599 3.257 ( 0.762 0.000 2.542) 2.653 3.273 ( 0.449 0.000 1.176) 1.259 3.325 ( -0.466 0.000 0.485) 0.673 3.365 ( 0.263 0.000 -0.689) 0.737 3.371 ( 0.763 0.000 -1.633) 1.803 3.388 ( -0.215 0.000 1.767) 1.780 3.407 ( -0.272 0.000 -1.047) 1.082 3.408 ( 0.538 0.000 0.086) 0.545 3.438 ( -0.017 0.000 1.919) 1.919 3.451 ( 0.081 0.000 0.657) 0.662 3.485 ( -0.947 0.000 1.489) 1.765 3.516 ( -0.231 0.000 1.048) 1.073 3.544 ( 0.018 0.000 -0.297) 0.297 3.557 ( -0.516 0.000 0.133) 0.533 3.567 ( 0.129 0.000 -0.365) 0.387 3.576 ( 0.198 0.000 0.879) 0.900 3.605 ( 1.109 0.000 -2.005) 2.292 3.608 ( -0.125 0.000 -0.952) 0.961 3.619 ( 0.061 0.000 -2.051) 2.052 3.644 ( 0.175 0.000 0.672) 0.695 3.670 ( -0.880 0.000 0.989) 1.324 3.675 ( 0.067 0.000 0.819) 0.822 3.686 ( -0.119 0.000 0.622) 0.633 3.708 ( -0.272 0.000 -1.935) 1.954 3.745 ( -0.633 0.000 0.733) 0.968 3.756 ( 0.403 0.000 0.841) 0.932 3.799 ( -0.064 0.000 -1.378) 1.379 3.826 ( -0.290 0.000 1.011) 1.051 3.846 ( 0.831 0.000 -0.181) 0.850 3.856 ( 0.677 0.000 1.061) 1.259 4.003 ( 0.466 0.000 1.066) 1.163 4.024 ( -4.018 0.000 5.145) 6.528 4.081 ( -0.340 0.000 -0.609) 0.698 4.131 ( -0.727 0.000 -1.742) 1.887 4.218 ( 0.167 0.000 -1.048) 1.062 4.288 ( -0.008 0.000 -0.431) 0.431 4.385 ( -1.272 0.000 -0.304) 1.307 4.390 ( 1.487 0.000 1.073) 1.834 4.425 ( 0.266 0.000 -0.451) 0.524 4.441 ( -0.676 0.000 0.189) 0.702 4.461 ( 0.795 0.000 -0.608) 1.001 4.493 ( -0.352 0.000 -2.183) 2.211 4.540 ( -0.472 0.000 1.867) 1.926 4.546 ( -1.757 0.000 0.209) 1.770 4.634 ( 0.061 0.000 -0.054) 0.082 4.644 ( -0.036 0.000 -0.066) 0.076 4.653 ( -0.078 0.000 0.317) 0.326 4.665 ( 0.506 0.000 -0.910) 1.041 4.697 ( 1.664 0.000 -0.160) 1.672 4.730 ( 0.630 0.000 -0.404) 0.748 4.736 ( -0.987 0.000 3.419) 3.559 4.794 ( -2.289 0.000 0.229) 2.300 4.808 ( 0.347 0.000 -0.122) 0.368 4.809 ( -0.368 0.000 -0.353) 0.510 4.817 ( 0.842 0.000 -1.326) 1.571 4.883 ( 1.018 0.000 -3.489) 3.635 5.087 ( -0.269 0.000 0.503) 0.571 5.098 ( -0.915 0.000 -1.462) 1.725 5.340 ( 1.835 0.000 1.970) 2.693 5.417 ( 0.309 0.000 0.924) 0.974 11.424 ( 0.242 0.000 -0.970) 1.000 11.428 ( -0.657 0.000 -2.548) 2.632 11.752 ( 0.575 0.000 3.433) 3.481 11.850 ( -8.349 0.000 11.948) 14.576 11.968 ( 1.895 0.000 2.170) 2.881 12.254 ( -1.322 0.000 0.330) 1.363 12.464 ( -0.122 0.000 -0.200) 0.234 12.498 ( -1.050 0.000 -0.468) 1.149 13.506 ( 0.235 0.000 -0.040) 0.238 13.523 ( 0.231 0.000 -0.122) 0.262 13.662 ( 0.183 0.000 0.174) 0.253 13.668 ( 0.319 0.000 0.309) 0.445 13.903 ( 0.040 0.000 -0.066) 0.077 13.943 ( 0.161 0.000 0.075) 0.178 15.213 ( 0.066 0.000 0.019) 0.069 15.242 ( -0.074 0.000 -0.118) 0.139 17.266 ( 0.491 0.000 -0.066) 0.496 17.372 ( 0.302 0.000 -0.552) 0.630 17.447 ( 0.839 0.000 0.665) 1.071 17.616 ( 2.123 0.000 -6.126) 6.484 36.242 ( 0.120 0.000 0.220) 0.251 36.242 ( 0.074 0.000 0.175) 0.190 36.571 ( -0.185 0.000 0.015) 0.186 36.584 ( -0.076 0.000 -0.200) 0.214 ======================= Grid point 2 (3/28) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 6.995 0.000 5.174) 8.701 0.437 ( 6.267 0.000 6.585) 9.090 0.623 ( 5.701 0.000 9.924) 11.445 0.657 ( 1.819 0.000 -0.678) 1.941 0.658 ( 1.720 0.000 0.858) 1.922 0.741 ( 0.277 0.000 -0.459) 0.537 0.770 ( -3.528 0.000 -4.393) 5.634 0.788 ( 0.007 0.000 -1.342) 1.342 0.849 ( 1.916 0.000 0.115) 1.920 0.903 ( -2.516 0.000 -0.451) 2.556 0.911 ( -1.346 0.000 -2.333) 2.694 0.973 ( 0.838 0.000 3.825) 3.916 0.977 ( -1.658 0.000 -2.325) 2.856 0.983 ( 0.893 0.000 0.838) 1.225 1.000 ( 0.154 0.000 -0.758) 0.774 1.060 ( 0.165 0.000 1.650) 1.658 1.092 ( -0.725 0.000 0.117) 0.734 1.092 ( 0.161 0.000 -0.226) 0.278 1.225 ( 1.477 0.000 4.650) 4.879 1.233 ( 1.352 0.000 3.583) 3.830 1.261 ( -0.340 0.000 0.934) 0.994 1.292 ( 0.891 0.000 -0.452) 0.999 1.294 ( -0.706 0.000 0.694) 0.990 1.310 ( 0.400 0.000 -0.147) 0.426 1.334 ( -1.322 0.000 0.401) 1.382 1.345 ( -0.786 0.000 0.293) 0.839 1.367 ( -0.244 0.000 -0.479) 0.538 1.379 ( -0.691 0.000 0.229) 0.728 1.419 ( -0.212 0.000 0.442) 0.490 1.422 ( -0.640 0.000 0.780) 1.009 1.429 ( -0.104 0.000 2.248) 2.251 1.431 ( -0.376 0.000 1.259) 1.313 1.455 ( -0.352 0.000 -0.667) 0.754 1.465 ( -0.228 0.000 3.260) 3.268 1.466 ( 0.276 0.000 1.793) 1.814 1.495 ( 0.516 0.000 1.840) 1.911 1.501 ( -0.648 0.000 -0.425) 0.775 1.510 ( 0.459 0.000 -1.108) 1.199 1.531 ( 1.301 0.000 0.452) 1.377 1.532 ( -0.114 0.000 0.024) 0.116 1.547 ( 0.023 0.000 -2.142) 2.143 1.558 ( 0.535 0.000 -1.278) 1.385 1.583 ( -0.228 0.000 -0.382) 0.444 1.585 ( -0.761 0.000 -0.774) 1.085 1.599 ( 0.215 0.000 -0.693) 0.726 1.602 ( -1.100 0.000 -0.257) 1.129 1.648 ( -1.100 0.000 -0.058) 1.102 1.678 ( 0.252 0.000 -0.466) 0.530 1.681 ( -0.207 0.000 -1.065) 1.085 1.704 ( 0.457 0.000 -1.506) 1.574 1.711 ( -0.369 0.000 -1.980) 2.014 1.721 ( -0.911 0.000 -1.555) 1.802 1.745 ( -0.533 0.000 -1.718) 1.798 1.752 ( -1.221 0.000 -1.622) 2.030 1.768 ( -0.734 0.000 -0.692) 1.009 1.795 ( -1.693 0.000 -2.865) 3.327 1.811 ( 0.882 0.000 -0.257) 0.919 1.837 ( -0.162 0.000 -0.716) 0.734 1.850 ( 0.404 0.000 0.905) 0.991 1.867 ( 0.144 0.000 1.065) 1.075 1.887 ( -0.148 0.000 0.024) 0.150 1.902 ( 0.450 0.000 0.626) 0.771 2.017 ( 0.001 0.000 -0.745) 0.745 2.038 ( -0.427 0.000 -1.085) 1.166 2.059 ( -0.763 0.000 -0.771) 1.085 2.070 ( -0.211 0.000 0.236) 0.317 2.106 ( 0.386 0.000 0.342) 0.516 2.116 ( 0.501 0.000 0.476) 0.691 2.159 ( 0.306 0.000 0.449) 0.543 2.162 ( 0.523 0.000 -0.177) 0.552 2.206 ( 0.667 0.000 -0.687) 0.958 2.233 ( 0.512 0.000 -2.005) 2.069 2.306 ( -0.246 0.000 -0.106) 0.268 2.324 ( -0.113 0.000 0.355) 0.373 2.436 ( 1.412 0.000 0.985) 1.722 2.457 ( 0.448 0.000 0.800) 0.917 2.471 ( -0.246 0.000 0.654) 0.699 2.486 ( -0.252 0.000 -0.352) 0.433 2.490 ( -0.099 0.000 -1.126) 1.130 2.527 ( 0.078 0.000 0.725) 0.729 2.540 ( 0.483 0.000 -0.264) 0.551 2.547 ( -0.926 0.000 0.068) 0.929 2.573 ( -0.207 0.000 -0.181) 0.275 2.593 ( -0.155 0.000 -0.525) 0.547 2.602 ( -0.153 0.000 0.452) 0.477 2.614 ( -0.111 0.000 0.632) 0.642 2.645 ( -0.182 0.000 -0.721) 0.744 2.651 ( -0.690 0.000 0.055) 0.692 2.716 ( -0.093 0.000 0.146) 0.173 2.739 ( 0.026 0.000 -0.861) 0.862 2.767 ( -0.392 0.000 0.713) 0.814 2.806 ( -0.471 0.000 -0.494) 0.683 2.835 ( 0.336 0.000 -0.928) 0.987 2.849 ( -1.439 0.000 0.617) 1.566 2.870 ( 0.684 0.000 -0.582) 0.898 2.886 ( -0.309 0.000 -0.386) 0.494 2.898 ( 0.695 0.000 0.747) 1.021 2.916 ( -0.474 0.000 -1.023) 1.127 2.971 ( -0.432 0.000 -1.639) 1.695 3.011 ( -0.108 0.000 0.235) 0.258 3.035 ( 0.059 0.000 -0.904) 0.906 3.049 ( -1.087 0.000 1.082) 1.534 3.102 ( 1.172 0.000 1.316) 1.762 3.120 ( -0.147 0.000 0.293) 0.328 3.170 ( -0.347 0.000 -0.728) 0.806 3.194 ( -0.058 0.000 0.028) 0.065 3.224 ( -0.124 0.000 0.017) 0.125 3.246 ( 0.537 0.000 -1.075) 1.202 3.302 ( 0.742 0.000 3.374) 3.455 3.303 ( 1.077 0.000 2.173) 2.425 3.325 ( -0.291 0.000 0.791) 0.843 3.361 ( 0.324 0.000 -1.651) 1.683 3.364 ( 0.160 0.000 -0.344) 0.379 3.386 ( -0.652 0.000 -0.843) 1.066 3.403 ( 0.160 0.000 0.117) 0.198 3.422 ( 0.600 0.000 0.625) 0.866 3.445 ( -0.617 0.000 0.873) 1.069 3.462 ( 0.316 0.000 0.233) 0.393 3.487 ( -0.035 0.000 0.556) 0.557 3.522 ( -0.340 0.000 0.510) 0.613 3.551 ( 0.275 0.000 1.484) 1.509 3.556 ( -0.059 0.000 0.955) 0.957 3.564 ( 0.001 0.000 -0.435) 0.435 3.584 ( -0.397 0.000 0.748) 0.847 3.595 ( 0.678 0.000 -2.801) 2.882 3.602 ( 0.310 0.000 -0.438) 0.537 3.611 ( 0.083 0.000 0.208) 0.224 3.647 ( 0.058 0.000 -0.296) 0.302 3.656 ( -0.845 0.000 -0.301) 0.897 3.676 ( -0.711 0.000 -0.094) 0.717 3.694 ( -0.199 0.000 0.979) 0.999 3.697 ( 0.791 0.000 -0.467) 0.918 3.744 ( -0.610 0.000 1.036) 1.202 3.769 ( 0.171 0.000 0.990) 1.005 3.780 ( -0.228 0.000 -1.520) 1.537 3.833 ( 0.287 0.000 0.039) 0.289 3.861 ( 0.851 0.000 0.354) 0.921 3.879 ( 0.825 0.000 0.778) 1.134 4.013 ( -1.671 0.000 2.170) 2.739 4.025 ( 0.444 0.000 1.735) 1.791 4.066 ( -0.525 0.000 -1.067) 1.189 4.096 ( -0.807 0.000 -2.483) 2.611 4.207 ( 0.067 0.000 -1.332) 1.334 4.290 ( 0.389 0.000 -0.084) 0.398 4.360 ( -1.216 0.000 -0.257) 1.243 4.419 ( 1.147 0.000 0.024) 1.148 4.423 ( -0.063 0.000 -0.132) 0.147 4.431 ( -1.033 0.000 0.965) 1.414 4.468 ( 0.778 0.000 -0.696) 1.044 4.471 ( 0.064 0.000 -1.596) 1.597 4.524 ( -1.187 0.000 0.262) 1.216 4.548 ( -0.487 0.000 1.324) 1.411 4.633 ( -0.057 0.000 -0.117) 0.130 4.644 ( -0.091 0.000 0.166) 0.189 4.652 ( -0.136 0.000 -0.025) 0.139 4.666 ( 0.441 0.000 -0.497) 0.664 4.721 ( 1.271 0.000 0.300) 1.306 4.733 ( 0.451 0.000 -0.826) 0.941 4.749 ( -0.800 0.000 1.731) 1.907 4.758 ( -1.790 0.000 -0.432) 1.841 4.799 ( -0.299 0.000 -0.273) 0.405 4.814 ( 0.541 0.000 -0.064) 0.545 4.821 ( 0.566 0.000 -0.330) 0.655 4.867 ( 0.064 0.000 -1.267) 1.268 5.066 ( -1.032 0.000 -1.409) 1.747 5.090 ( 0.243 0.000 -0.050) 0.248 5.389 ( 1.555 0.000 1.587) 2.222 5.431 ( 0.272 0.000 0.812) 0.856 11.396 ( -0.402 0.000 -1.812) 1.856 11.418 ( 0.244 0.000 -0.987) 1.017 11.793 ( 0.554 0.000 2.641) 2.698 11.835 ( -3.018 0.000 3.646) 4.733 12.021 ( 1.462 0.000 2.160) 2.608 12.237 ( -1.245 0.000 0.687) 1.422 12.457 ( -0.250 0.000 -0.470) 0.532 12.473 ( -1.166 0.000 -0.631) 1.325 13.510 ( 0.260 0.000 -0.052) 0.266 13.526 ( 0.236 0.000 -0.111) 0.261 13.667 ( 0.179 0.000 0.174) 0.250 13.676 ( 0.286 0.000 0.278) 0.399 13.903 ( 0.050 0.000 -0.060) 0.078 13.946 ( 0.171 0.000 0.078) 0.188 15.214 ( 0.064 0.000 0.017) 0.066 15.240 ( -0.069 0.000 -0.116) 0.135 17.274 ( 0.463 0.000 -0.096) 0.473 17.372 ( 0.303 0.000 -0.442) 0.536 17.469 ( 0.884 0.000 0.629) 1.085 17.591 ( 0.156 0.000 -2.331) 2.336 36.245 ( 0.069 0.000 0.177) 0.190 36.246 ( 0.125 0.000 0.228) 0.260 36.568 ( -0.095 0.000 -0.133) 0.163 36.581 ( -0.078 0.000 -0.205) 0.219 ======================= Grid point 3 (4/28) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 0.000 0.000) 0.000 0.536 ( 0.000 0.000 0.000) 0.000 0.643 ( 0.000 0.000 0.000) 0.000 0.682 ( 0.000 0.000 -0.000) 0.000 0.695 ( 0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 0.769 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 0.883 ( 0.000 0.000 0.000) 0.000 0.886 ( 0.000 0.000 0.000) 0.000 0.946 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.074 ( -0.000 0.000 -0.000) 0.000 1.092 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 -0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.284 ( -0.000 0.000 -0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.300 ( -0.000 0.000 -0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 -0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 -0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.510 ( -0.000 0.000 -0.000) 0.000 1.511 ( 0.000 0.000 -0.000) 0.000 1.514 ( -0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.543 ( -0.000 0.000 -0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.691 ( 0.000 0.000 0.000) 0.000 1.707 ( -0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 -0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.750 ( -0.000 0.000 -0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 -0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.476 ( -0.000 0.000 -0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 -0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 -0.000) 0.000 3.118 ( -0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.328 ( -0.000 0.000 -0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.437 ( -0.000 0.000 -0.000) 0.000 3.466 ( 0.000 0.000 -0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 -0.000) 0.000 3.580 ( 0.000 0.000 -0.000) 0.000 3.605 ( 0.000 0.000 -0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 0.000 -0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 -0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.042 ( -0.000 0.000 -0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 -0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 -0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 -0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 4.740 ( -0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 11.384 ( 0.000 0.000 0.000) 0.000 11.415 ( 0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.459 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.670 ( 0.000 0.000 0.000) 0.000 13.680 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000 17.580 ( 0.000 0.000 0.000) 0.000 36.247 ( 0.000 0.000 0.000) 0.000 36.249 ( 0.000 0.000 0.000) 0.000 36.566 ( 0.000 0.000 0.000) 0.000 36.579 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/28) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 0.000 11.569 0.000) 11.569 0.345 ( 0.000 16.320 0.000) 16.320 0.412 ( 0.000 3.644 0.000) 3.644 0.507 ( 0.000 6.625 0.000) 6.625 0.621 ( 0.000 -7.520 0.000) 7.520 0.788 ( 0.000 3.180 0.000) 3.180 0.797 ( 0.000 -5.536 0.000) 5.536 0.851 ( 0.000 1.631 0.000) 1.631 0.854 ( 0.000 -3.937 0.000) 3.937 0.909 ( 0.000 -5.028 0.000) 5.028 0.912 ( 0.000 -0.482 0.000) 0.482 0.922 ( 0.000 -3.671 0.000) 3.671 0.961 ( 0.000 2.102 0.000) 2.102 1.005 ( 0.000 -1.329 0.000) 1.329 1.032 ( 0.000 0.693 0.000) 0.693 1.036 ( 0.000 0.362 0.000) 0.362 1.095 ( 0.000 0.078 0.000) 0.078 1.096 ( 0.000 -0.065 0.000) 0.065 1.161 ( 0.000 0.499 0.000) 0.499 1.167 ( 0.000 0.254 0.000) 0.254 1.255 ( 0.000 1.162 0.000) 1.162 1.269 ( 0.000 -0.445 0.000) 0.445 1.291 ( 0.000 0.150 0.000) 0.150 1.304 ( 0.000 -0.458 0.000) 0.458 1.318 ( 0.000 1.719 0.000) 1.719 1.343 ( 0.000 -0.647 0.000) 0.647 1.356 ( 0.000 0.152 0.000) 0.152 1.380 ( 0.000 -2.288 0.000) 2.288 1.390 ( 0.000 1.702 0.000) 1.702 1.412 ( 0.000 1.243 0.000) 1.243 1.423 ( 0.000 -1.553 0.000) 1.553 1.450 ( 0.000 -2.007 0.000) 2.007 1.453 ( 0.000 0.614 0.000) 0.614 1.474 ( 0.000 -0.614 0.000) 0.614 1.494 ( 0.000 0.377 0.000) 0.377 1.507 ( 0.000 -1.092 0.000) 1.092 1.508 ( 0.000 1.372 0.000) 1.372 1.516 ( 0.000 -0.575 0.000) 0.575 1.519 ( 0.000 0.981 0.000) 0.981 1.540 ( 0.000 0.660 0.000) 0.660 1.556 ( 0.000 -1.018 0.000) 1.018 1.557 ( 0.000 -0.094 0.000) 0.094 1.568 ( 0.000 0.255 0.000) 0.255 1.592 ( 0.000 1.954 0.000) 1.954 1.612 ( 0.000 -2.044 0.000) 2.044 1.624 ( 0.000 -0.634 0.000) 0.634 1.682 ( 0.000 -0.141 0.000) 0.141 1.691 ( 0.000 -0.563 0.000) 0.563 1.710 ( 0.000 0.465 0.000) 0.465 1.729 ( 0.000 -1.315 0.000) 1.315 1.734 ( 0.000 -0.082 0.000) 0.082 1.739 ( 0.000 -0.339 0.000) 0.339 1.765 ( 0.000 0.763 0.000) 0.763 1.770 ( 0.000 0.172 0.000) 0.172 1.810 ( 0.000 0.524 0.000) 0.524 1.810 ( 0.000 1.684 0.000) 1.684 1.831 ( 0.000 -0.756 0.000) 0.756 1.839 ( 0.000 -0.710 0.000) 0.710 1.873 ( 0.000 -0.140 0.000) 0.140 1.877 ( 0.000 -0.130 0.000) 0.130 1.903 ( 0.000 1.376 0.000) 1.376 1.917 ( 0.000 0.334 0.000) 0.334 2.050 ( 0.000 0.914 0.000) 0.914 2.062 ( 0.000 0.451 0.000) 0.451 2.074 ( 0.000 -1.085 0.000) 1.085 2.074 ( 0.000 -0.809 0.000) 0.809 2.092 ( 0.000 0.275 0.000) 0.275 2.096 ( 0.000 -0.119 0.000) 0.119 2.162 ( 0.000 0.800 0.000) 0.800 2.172 ( 0.000 -0.010 0.000) 0.010 2.205 ( 0.000 1.492 0.000) 1.492 2.233 ( 0.000 -1.101 0.000) 1.101 2.318 ( 0.000 0.458 0.000) 0.458 2.327 ( 0.000 -0.421 0.000) 0.421 2.418 ( 0.000 1.359 0.000) 1.359 2.443 ( 0.000 -1.045 0.000) 1.045 2.479 ( 0.000 0.984 0.000) 0.984 2.498 ( 0.000 -0.211 0.000) 0.211 2.515 ( 0.000 -0.049 0.000) 0.049 2.516 ( 0.000 0.350 0.000) 0.350 2.527 ( 0.000 0.535 0.000) 0.535 2.536 ( 0.000 -0.769 0.000) 0.769 2.590 ( 0.000 -0.332 0.000) 0.332 2.593 ( 0.000 0.388 0.000) 0.388 2.597 ( 0.000 -0.063 0.000) 0.063 2.606 ( 0.000 -0.187 0.000) 0.187 2.627 ( 0.000 -0.076 0.000) 0.076 2.656 ( 0.000 -2.196 0.000) 2.196 2.737 ( 0.000 1.556 0.000) 1.556 2.771 ( 0.000 -0.573 0.000) 0.573 2.780 ( 0.000 1.936 0.000) 1.936 2.783 ( 0.000 -0.062 0.000) 0.062 2.808 ( 0.000 -1.353 0.000) 1.353 2.822 ( 0.000 -2.044 0.000) 2.044 2.895 ( 0.000 0.988 0.000) 0.988 2.908 ( 0.000 0.838 0.000) 0.838 2.924 ( 0.000 -0.002 0.000) 0.002 2.945 ( 0.000 2.139 0.000) 2.139 2.962 ( 0.000 -1.949 0.000) 1.949 2.997 ( 0.000 -2.132 0.000) 2.132 3.023 ( 0.000 1.060 0.000) 1.060 3.043 ( 0.000 -0.539 0.000) 0.539 3.080 ( 0.000 1.128 0.000) 1.128 3.109 ( 0.000 -1.096 0.000) 1.096 3.193 ( 0.000 -0.001 0.000) 0.001 3.202 ( 0.000 -0.967 0.000) 0.967 3.215 ( 0.000 2.828 0.000) 2.828 3.250 ( 0.000 1.197 0.000) 1.197 3.256 ( 0.000 -0.004 0.000) 0.004 3.266 ( 0.000 0.415 0.000) 0.415 3.293 ( 0.000 -2.733 0.000) 2.733 3.310 ( 0.000 -3.148 0.000) 3.148 3.374 ( 0.000 0.587 0.000) 0.587 3.391 ( 0.000 -0.938 0.000) 0.938 3.432 ( 0.000 2.816 0.000) 2.816 3.448 ( 0.000 0.767 0.000) 0.767 3.450 ( 0.000 1.738 0.000) 1.738 3.472 ( 0.000 -0.909 0.000) 0.909 3.484 ( 0.000 1.792 0.000) 1.792 3.522 ( 0.000 0.797 0.000) 0.797 3.534 ( 0.000 -1.612 0.000) 1.612 3.547 ( 0.000 -0.986 0.000) 0.986 3.570 ( 0.000 -0.351 0.000) 0.351 3.574 ( 0.000 -1.032 0.000) 1.032 3.602 ( 0.000 2.464 0.000) 2.464 3.615 ( 0.000 -0.104 0.000) 0.104 3.619 ( 0.000 -0.813 0.000) 0.813 3.644 ( 0.000 -1.732 0.000) 1.732 3.652 ( 0.000 1.768 0.000) 1.768 3.694 ( 0.000 -1.449 0.000) 1.449 3.718 ( 0.000 -0.064 0.000) 0.064 3.733 ( 0.000 -0.618 0.000) 0.618 3.744 ( 0.000 2.032 0.000) 2.032 3.793 ( 0.000 3.146 0.000) 3.146 3.794 ( 0.000 -2.182 0.000) 2.182 3.833 ( 0.000 -0.300 0.000) 0.300 3.844 ( 0.000 0.503 0.000) 0.503 3.848 ( 0.000 -0.180 0.000) 0.180 3.971 ( 0.000 -0.185 0.000) 0.185 4.002 ( 0.000 -3.227 0.000) 3.227 4.112 ( 0.000 1.759 0.000) 1.759 4.139 ( 0.000 -0.851 0.000) 0.851 4.237 ( 0.000 1.415 0.000) 1.415 4.271 ( 0.000 -1.846 0.000) 1.846 4.367 ( 0.000 0.533 0.000) 0.533 4.381 ( 0.000 -0.976 0.000) 0.976 4.435 ( 0.000 0.726 0.000) 0.726 4.443 ( 0.000 -0.234 0.000) 0.234 4.468 ( 0.000 1.061 0.000) 1.061 4.495 ( 0.000 -1.445 0.000) 1.445 4.563 ( 0.000 0.207 0.000) 0.207 4.565 ( 0.000 0.004 0.000) 0.004 4.638 ( 0.000 0.245 0.000) 0.245 4.644 ( 0.000 -0.269 0.000) 0.269 4.652 ( 0.000 0.759 0.000) 0.759 4.658 ( 0.000 0.554 0.000) 0.554 4.712 ( 0.000 2.015 0.000) 2.015 4.718 ( 0.000 0.058 0.000) 0.058 4.741 ( 0.000 0.675 0.000) 0.675 4.783 ( 0.000 -1.899 0.000) 1.899 4.796 ( 0.000 -0.814 0.000) 0.814 4.797 ( 0.000 -0.569 0.000) 0.569 4.831 ( 0.000 0.840 0.000) 0.840 4.841 ( 0.000 -0.110 0.000) 0.110 5.091 ( 0.000 0.953 0.000) 0.953 5.114 ( 0.000 -1.202 0.000) 1.202 5.337 ( 0.000 2.292 0.000) 2.292 5.386 ( 0.000 -2.182 0.000) 2.182 11.432 ( 0.000 0.458 0.000) 0.458 11.443 ( 0.000 -0.590 0.000) 0.590 11.743 ( 0.000 1.780 0.000) 1.780 11.778 ( 0.000 -1.490 0.000) 1.490 12.084 ( 0.000 0.848 0.000) 0.848 12.105 ( 0.000 -1.124 0.000) 1.124 12.478 ( 0.000 1.064 0.000) 1.064 12.499 ( 0.000 -0.947 0.000) 0.947 13.508 ( 0.000 0.347 0.000) 0.347 13.516 ( 0.000 -0.468 0.000) 0.468 13.661 ( 0.000 0.099 0.000) 0.099 13.663 ( 0.000 -0.064 0.000) 0.064 13.913 ( 0.000 0.915 0.000) 0.915 13.932 ( 0.000 -0.846 0.000) 0.846 15.221 ( 0.000 0.687 0.000) 0.687 15.236 ( 0.000 -0.684 0.000) 0.684 17.287 ( 0.000 2.372 0.000) 2.372 17.342 ( 0.000 -2.701 0.000) 2.701 17.627 ( 0.000 1.375 0.000) 1.375 17.653 ( 0.000 -1.028 0.000) 1.028 36.240 ( 0.000 0.024 0.000) 0.024 36.240 ( 0.000 -0.022 0.000) 0.022 36.575 ( 0.000 0.368 0.000) 0.368 36.583 ( 0.000 -0.365 0.000) 0.365 ======================= Grid point 8 (6/28) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 4.315 7.159 6.669) 10.694 0.401 ( 5.155 7.942 0.994) 9.521 0.482 ( 1.775 -0.519 8.671) 8.866 0.582 ( 4.624 12.479 6.846) 14.966 0.653 ( 2.369 -7.261 1.681) 7.820 0.754 ( -1.638 3.891 -2.078) 4.705 0.799 ( 1.285 -1.687 -1.367) 2.523 0.841 ( -0.754 -3.677 -1.809) 4.167 0.866 ( -0.601 -0.892 -0.238) 1.102 0.870 ( -0.616 -0.580 0.755) 1.134 0.923 ( -0.504 -1.945 -1.450) 2.478 0.932 ( 0.179 -3.863 1.797) 4.264 0.956 ( 0.268 0.870 -1.247) 1.544 1.000 ( -0.083 -1.974 -0.290) 1.996 1.025 ( -0.557 0.806 -0.788) 1.257 1.033 ( -0.401 0.063 -0.832) 0.926 1.084 ( -0.052 0.254 -0.528) 0.588 1.092 ( -0.077 -0.256 -0.380) 0.465 1.175 ( 0.771 0.401 1.627) 1.844 1.186 ( 1.090 -0.205 1.806) 2.119 1.260 ( 0.124 0.863 0.961) 1.298 1.274 ( 0.304 -0.537 0.234) 0.660 1.306 ( 0.259 0.820 1.586) 1.804 1.316 ( -0.481 0.382 1.603) 1.716 1.332 ( 0.616 0.925 1.699) 2.031 1.346 ( 0.009 -0.193 1.637) 1.648 1.364 ( 0.174 -0.327 0.832) 0.910 1.372 ( -0.890 -0.879 0.155) 1.261 1.396 ( 0.473 0.599 0.385) 0.855 1.412 ( 0.183 -0.831 0.656) 1.074 1.428 ( -0.319 0.836 -0.154) 0.908 1.438 ( 0.364 -0.373 -0.550) 0.758 1.449 ( -0.021 -0.942 -0.418) 1.031 1.462 ( -1.598 -0.855 -0.368) 1.850 1.468 ( -0.907 -0.578 -1.247) 1.647 1.474 ( -1.776 -0.893 -0.124) 1.992 1.505 ( -0.415 1.781 0.393) 1.870 1.514 ( -1.167 0.956 0.387) 1.557 1.528 ( -0.511 -0.676 0.726) 1.115 1.546 ( -0.061 -0.270 -0.018) 0.277 1.553 ( -0.437 -0.616 0.116) 0.764 1.566 ( 0.148 -1.528 0.892) 1.775 1.574 ( 0.044 1.109 0.617) 1.270 1.590 ( 0.327 1.705 -0.643) 1.851 1.610 ( -0.639 -0.764 0.158) 1.008 1.613 ( -0.794 -0.074 0.405) 0.894 1.665 ( -0.632 0.161 -1.400) 1.544 1.682 ( 0.463 -0.895 -2.359) 2.565 1.694 ( -0.647 0.340 -0.553) 0.916 1.707 ( -0.408 -0.857 -1.400) 1.691 1.737 ( 0.374 0.465 -1.240) 1.376 1.743 ( 0.247 -0.282 -0.803) 0.886 1.772 ( 0.245 0.908 0.389) 1.018 1.781 ( 0.028 -0.038 0.099) 0.109 1.803 ( -0.134 0.634 -0.920) 1.125 1.810 ( -0.791 0.514 -1.130) 1.472 1.831 ( 0.485 0.001 -0.143) 0.506 1.837 ( -0.170 -0.899 -0.218) 0.941 1.848 ( -0.832 0.092 -2.079) 2.242 1.857 ( -0.222 -0.156 -1.505) 1.529 1.900 ( -0.438 1.248 0.081) 1.325 1.914 ( -0.440 0.250 -0.012) 0.506 2.043 ( -0.262 1.246 -0.663) 1.435 2.059 ( -0.140 0.316 -0.746) 0.822 2.066 ( -0.541 -0.503 -0.923) 1.182 2.074 ( -0.071 -1.274 -0.515) 1.376 2.092 ( 0.135 0.340 0.318) 0.485 2.099 ( 0.455 -0.357 0.238) 0.626 2.161 ( 0.061 0.715 -0.035) 0.718 2.168 ( 0.119 0.135 -0.543) 0.572 2.211 ( 0.596 1.250 -0.101) 1.389 2.233 ( 0.593 -0.742 -0.924) 1.325 2.317 ( -0.240 0.445 0.112) 0.518 2.324 ( -0.306 -0.166 0.159) 0.382 2.420 ( 0.267 1.020 0.677) 1.253 2.440 ( -0.093 -0.864 0.083) 0.873 2.478 ( -0.048 0.672 -0.151) 0.691 2.492 ( -0.241 -0.255 -0.465) 0.583 2.508 ( 0.027 0.390 -1.005) 1.079 2.518 ( 0.026 -0.346 -0.074) 0.354 2.537 ( 0.454 0.329 0.651) 0.859 2.540 ( -0.284 -0.190 1.409) 1.450 2.587 ( 0.056 -0.409 -0.408) 0.580 2.591 ( 0.119 -0.055 -0.296) 0.324 2.597 ( -0.242 0.455 0.291) 0.592 2.608 ( -0.067 0.036 0.117) 0.140 2.637 ( 0.100 -0.997 0.344) 1.059 2.651 ( 0.075 -1.314 -0.672) 1.477 2.736 ( -0.386 1.996 -0.032) 2.033 2.764 ( 0.137 1.274 -0.623) 1.425 2.784 ( -0.269 -2.350 -0.667) 2.458 2.788 ( -0.689 1.284 1.443) 2.051 2.802 ( 0.127 -0.921 1.157) 1.484 2.836 ( 0.379 -1.879 0.428) 1.964 2.892 ( -0.095 0.459 -0.189) 0.506 2.900 ( -0.939 -0.070 -0.795) 1.232 2.906 ( -0.285 1.988 -1.097) 2.289 2.945 ( -0.120 1.438 -0.419) 1.502 2.958 ( 0.146 -2.287 -0.964) 2.486 2.991 ( -0.213 -2.004 -0.430) 2.061 3.042 ( 0.726 0.581 0.697) 1.162 3.054 ( 0.331 -0.679 0.685) 1.020 3.083 ( 0.010 1.851 1.304) 2.265 3.112 ( -0.007 -0.887 0.637) 1.092 3.188 ( -0.016 -0.039 -0.699) 0.700 3.199 ( -0.082 -0.449 -0.754) 0.882 3.217 ( 0.126 2.045 0.187) 2.058 3.255 ( 0.127 1.041 0.250) 1.078 3.265 ( 0.253 -1.026 0.808) 1.330 3.273 ( 0.619 0.697 1.493) 1.760 3.293 ( 0.224 -2.207 -0.128) 2.222 3.314 ( -0.248 -2.773 0.987) 2.954 3.383 ( 0.826 0.693 0.130) 1.086 3.401 ( 0.715 -0.899 0.642) 1.316 3.429 ( -0.349 2.318 0.092) 2.346 3.438 ( -0.887 1.135 0.254) 1.462 3.453 ( 0.063 1.447 -0.182) 1.460 3.463 ( -0.635 0.792 0.239) 1.043 3.488 ( 0.412 0.501 0.176) 0.672 3.521 ( -0.053 0.445 0.271) 0.524 3.529 ( -0.472 -1.421 -0.075) 1.499 3.545 ( -0.248 -0.962 0.046) 0.994 3.574 ( 0.276 -0.539 0.173) 0.629 3.579 ( 0.396 -0.969 0.151) 1.057 3.594 ( -0.416 0.844 -0.641) 1.138 3.604 ( 0.009 -0.232 -1.316) 1.337 3.617 ( -0.081 1.125 -0.421) 1.204 3.649 ( -0.017 -0.546 0.833) 0.996 3.660 ( 0.167 0.181 0.682) 0.725 3.681 ( -0.578 -0.611 -0.441) 0.949 3.712 ( -0.365 1.546 0.083) 1.591 3.729 ( -0.370 0.758 -0.708) 1.101 3.738 ( -0.516 0.374 0.448) 0.779 3.779 ( -0.102 -1.210 -1.423) 1.871 3.799 ( -0.198 1.676 0.344) 1.723 3.821 ( -0.380 0.437 -0.652) 0.872 3.847 ( 0.165 0.090 0.281) 0.338 3.854 ( 0.619 -0.621 0.513) 1.016 3.981 ( 0.008 -0.505 2.068) 2.129 4.004 ( -1.011 -2.278 1.777) 3.061 4.099 ( -0.754 1.624 -0.751) 1.942 4.126 ( -0.884 -0.842 -1.209) 1.718 4.234 ( 0.467 1.622 -1.174) 2.056 4.273 ( 0.489 -1.814 -1.039) 2.147 4.381 ( 0.679 0.036 0.445) 0.813 4.386 ( 0.004 -0.327 0.484) 0.585 4.426 ( -0.534 0.490 0.090) 0.730 4.436 ( -0.686 -0.418 0.235) 0.837 4.471 ( 0.780 0.876 -0.877) 1.465 4.489 ( 0.256 -0.687 -1.541) 1.706 4.552 ( -1.436 0.627 0.661) 1.701 4.560 ( -1.730 0.285 1.417) 2.254 4.642 ( 0.370 0.487 0.069) 0.615 4.646 ( 0.402 0.157 0.111) 0.445 4.658 ( 0.546 0.570 0.477) 0.922 4.667 ( 1.027 0.037 -0.372) 1.093 4.702 ( 0.057 0.753 -0.761) 1.072 4.725 ( -0.128 -1.095 0.165) 1.115 4.733 ( -0.404 1.471 0.670) 1.666 4.775 ( -1.584 -1.928 -0.054) 2.496 4.796 ( -0.262 -0.509 0.518) 0.772 4.800 ( 0.431 -0.809 -0.435) 1.014 4.832 ( 0.362 1.421 -0.275) 1.492 4.859 ( 1.318 -1.333 -0.800) 2.038 5.088 ( 0.281 0.476 -0.973) 1.119 5.099 ( -0.469 -0.463 -1.452) 1.595 5.359 ( 1.194 1.828 1.937) 2.919 5.399 ( 0.440 -1.801 1.423) 2.337 11.421 ( 0.076 -0.007 -1.590) 1.592 11.425 ( -0.417 -0.257 -2.290) 2.342 11.764 ( 0.186 1.417 3.462) 3.746 11.802 ( -1.685 -2.363 5.549) 6.263 12.059 ( -0.725 5.381 1.855) 5.737 12.164 ( 1.588 -5.738 1.359) 6.107 12.473 ( -0.571 0.873 0.043) 1.044 12.491 ( -0.988 -0.773 -0.082) 1.257 13.509 ( 0.252 0.333 -0.075) 0.425 13.518 ( 0.241 -0.450 -0.110) 0.522 13.664 ( 0.224 0.148 0.217) 0.345 13.667 ( 0.292 -0.097 0.281) 0.416 13.913 ( 0.052 0.957 -0.011) 0.959 13.933 ( 0.121 -0.895 0.049) 0.904 15.221 ( -0.008 0.692 -0.045) 0.693 15.235 ( -0.053 -0.659 -0.094) 0.667 17.291 ( 0.446 2.370 -0.005) 2.411 17.345 ( 0.185 -2.584 0.158) 2.596 17.557 ( -3.811 5.095 -2.445) 6.816 17.610 ( -0.233 -1.006 -4.406) 4.525 36.242 ( 0.114 0.012 0.192) 0.224 36.242 ( 0.103 -0.003 0.185) 0.212 36.574 ( -0.086 0.316 -0.113) 0.346 36.581 ( -0.093 -0.324 -0.196) 0.390 ======================= Grid point 9 (7/28) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 5.815 2.593 5.197) 8.218 0.500 ( 5.096 1.049 2.630) 5.830 0.602 ( 3.356 1.543 4.621) 5.916 0.676 ( 1.299 1.000 -1.352) 2.125 0.721 ( 1.638 -0.055 0.967) 1.903 0.740 ( 0.483 7.473 4.328) 8.650 0.763 ( -1.562 -0.573 -2.724) 3.192 0.847 ( 0.209 3.029 -0.671) 3.110 0.857 ( 1.005 0.838 1.846) 2.263 0.892 ( -0.850 -1.795 -1.229) 2.336 0.898 ( 0.006 -2.050 4.760) 5.182 0.934 ( -0.538 -5.147 0.528) 5.202 0.950 ( -0.481 -0.473 -0.867) 1.099 0.972 ( -0.502 -1.006 -3.300) 3.487 0.999 ( -0.752 0.599 -0.833) 1.272 1.027 ( 0.211 -2.125 0.033) 2.135 1.090 ( 0.010 0.008 0.633) 0.633 1.092 ( 0.309 -0.134 -0.144) 0.366 1.219 ( 1.368 0.163 3.432) 3.699 1.231 ( 1.431 -0.746 2.787) 3.221 1.272 ( 0.141 0.525 0.576) 0.792 1.280 ( 0.264 -0.483 -0.076) 0.556 1.316 ( -0.017 1.026 0.215) 1.049 1.320 ( -0.613 1.117 0.997) 1.618 1.344 ( -0.356 1.352 1.056) 1.752 1.362 ( -0.692 0.735 0.487) 1.120 1.367 ( -0.353 -0.189 0.323) 0.515 1.375 ( -0.135 -0.126 1.209) 1.223 1.411 ( 0.158 -0.827 1.253) 1.510 1.423 ( -0.954 0.004 -0.082) 0.958 1.429 ( 0.156 -0.269 1.692) 1.720 1.433 ( -0.360 -0.977 0.185) 1.057 1.440 ( -0.211 -0.132 -0.384) 0.458 1.452 ( 1.181 -1.538 1.687) 2.570 1.463 ( 0.168 -0.149 0.389) 0.449 1.468 ( 0.742 -0.817 0.486) 1.206 1.494 ( -1.278 1.724 1.292) 2.504 1.512 ( 0.011 0.311 0.716) 0.781 1.526 ( 0.052 -1.157 0.201) 1.175 1.540 ( -1.021 -0.208 -0.216) 1.064 1.541 ( -0.369 -0.997 0.011) 1.063 1.560 ( -0.493 -0.852 -0.627) 1.167 1.577 ( -0.624 0.079 -1.030) 1.207 1.583 ( 0.142 0.265 -0.795) 0.850 1.597 ( -0.715 0.313 -0.752) 1.084 1.604 ( -0.922 -0.376 -1.159) 1.528 1.649 ( -0.080 0.389 -0.674) 0.782 1.665 ( 0.400 -1.095 -2.251) 2.535 1.684 ( -0.055 0.387 -0.295) 0.490 1.694 ( 0.143 -0.643 -0.577) 0.875 1.720 ( -0.310 0.511 -2.266) 2.343 1.723 ( -0.701 0.090 -1.519) 1.675 1.757 ( -0.854 0.731 -2.060) 2.346 1.766 ( -0.821 0.303 -1.637) 1.856 1.772 ( -0.776 0.729 -1.562) 1.890 1.785 ( -0.604 -0.442 -1.929) 2.069 1.818 ( -0.011 0.657 -0.183) 0.682 1.836 ( 0.155 -0.897 0.397) 0.993 1.854 ( 0.614 0.298 0.167) 0.702 1.858 ( 0.502 0.223 0.467) 0.721 1.898 ( -0.192 0.664 0.653) 0.952 1.908 ( -0.291 0.018 0.122) 0.316 2.035 ( -0.089 1.354 -0.434) 1.424 2.040 ( -0.595 0.178 -1.258) 1.403 2.048 ( -0.504 -0.458 -0.943) 1.163 2.067 ( -0.112 -0.981 -0.044) 0.988 2.104 ( 0.449 0.347 0.805) 0.985 2.114 ( 0.616 -0.359 0.709) 1.005 2.165 ( 0.131 0.552 0.427) 0.711 2.170 ( 0.449 0.283 -0.178) 0.559 2.215 ( 0.453 0.745 -0.896) 1.250 2.229 ( 0.427 -0.481 -1.737) 1.852 2.313 ( -0.248 0.588 0.078) 0.643 2.322 ( -0.191 -0.240 0.331) 0.451 2.441 ( 0.896 0.470 1.240) 1.601 2.451 ( 0.529 -0.459 1.268) 1.448 2.476 ( 0.000 0.324 -0.059) 0.329 2.482 ( -0.224 -0.299 -0.602) 0.708 2.498 ( -0.116 0.699 -0.949) 1.184 2.516 ( -0.106 -0.990 -0.229) 1.021 2.548 ( -0.182 0.626 1.187) 1.354 2.552 ( 0.406 0.588 0.309) 0.778 2.582 ( -0.103 -0.566 -0.593) 0.826 2.591 ( 0.118 0.097 -0.234) 0.279 2.596 ( -0.313 0.331 0.521) 0.692 2.605 ( -0.201 0.189 -0.143) 0.311 2.629 ( -0.466 -0.929 -0.268) 1.073 2.648 ( 0.420 -1.278 -1.424) 1.959 2.727 ( -0.267 1.462 -0.347) 1.526 2.762 ( -0.213 0.982 -0.461) 1.106 2.770 ( -0.418 -0.355 0.511) 0.750 2.791 ( -0.445 0.435 0.288) 0.685 2.812 ( -0.241 -1.431 0.978) 1.750 2.840 ( 0.095 -2.292 -0.596) 2.370 2.878 ( -0.795 1.677 -0.341) 1.887 2.887 ( -0.468 0.032 -0.208) 0.513 2.900 ( 0.489 0.603 -0.489) 0.918 2.934 ( -0.576 0.978 -0.583) 1.276 2.948 ( -0.113 -1.590 -1.053) 1.911 2.982 ( -0.399 -2.226 -0.084) 2.263 3.050 ( 0.225 0.514 -0.367) 0.671 3.055 ( -0.363 -0.010 0.113) 0.380 3.105 ( 0.499 0.889 1.180) 1.559 3.118 ( -0.037 -0.077 0.563) 0.569 3.183 ( 0.108 -0.449 -0.545) 0.715 3.189 ( -0.235 0.240 -0.494) 0.597 3.218 ( -0.037 1.311 -0.116) 1.317 3.257 ( 0.068 1.090 -0.047) 1.093 3.276 ( 0.256 -2.507 0.293) 2.537 3.298 ( 0.079 -2.532 0.500) 2.582 3.312 ( 0.871 0.717 2.989) 3.195 3.327 ( 0.464 -0.866 1.877) 2.119 3.391 ( 0.540 1.059 -1.280) 1.747 3.414 ( 0.248 -0.886 -0.670) 1.138 3.425 ( -0.403 1.117 0.606) 1.333 3.428 ( -0.563 2.453 0.423) 2.552 3.445 ( -0.442 0.598 -0.256) 0.787 3.463 ( 0.096 0.396 0.116) 0.424 3.498 ( 0.456 0.576 0.149) 0.749 3.520 ( -0.485 -0.864 -0.006) 0.991 3.535 ( 0.486 -0.383 1.585) 1.702 3.549 ( 0.304 -0.938 0.983) 1.393 3.576 ( 0.407 -0.712 -0.904) 1.221 3.581 ( -0.263 -0.380 -0.750) 0.881 3.585 ( 0.028 -0.271 0.184) 0.329 3.596 ( -0.097 -0.761 -0.372) 0.853 3.613 ( 0.082 2.861 -0.181) 2.868 3.656 ( 0.038 0.329 0.392) 0.513 3.665 ( -0.330 -0.149 0.372) 0.519 3.673 ( 0.015 -0.835 -0.147) 0.848 3.709 ( 0.157 2.109 -0.964) 2.324 3.717 ( -0.352 0.838 0.293) 0.955 3.738 ( -0.445 -0.158 0.930) 1.043 3.769 ( -0.143 -1.629 -0.293) 1.661 3.794 ( -0.131 1.794 -0.317) 1.826 3.812 ( 0.072 -0.723 -0.959) 1.203 3.856 ( 0.101 -0.337 0.826) 0.898 3.867 ( 0.475 -1.229 0.136) 1.325 4.005 ( -0.227 -0.238 2.479) 2.501 4.014 ( 0.369 -0.908 2.187) 2.396 4.076 ( -0.722 0.895 -1.557) 1.935 4.092 ( -0.997 -0.580 -2.437) 2.696 4.229 ( 0.270 2.019 -1.050) 2.292 4.272 ( 0.434 -1.860 -0.555) 1.989 4.370 ( -0.977 0.876 -0.216) 1.330 4.392 ( -0.270 -1.481 -0.264) 1.529 4.430 ( 0.333 0.512 0.792) 0.999 4.437 ( -0.033 -0.076 0.837) 0.841 4.473 ( 0.504 0.364 -0.884) 1.081 4.476 ( 0.113 0.191 -1.496) 1.513 4.535 ( -1.128 0.848 0.373) 1.460 4.547 ( -0.998 -0.291 0.740) 1.276 4.649 ( 0.229 1.155 0.257) 1.205 4.654 ( 0.209 0.556 0.429) 0.733 4.668 ( 0.245 1.255 -0.352) 1.326 4.678 ( 0.694 0.385 -0.499) 0.938 4.701 ( 0.217 -0.260 0.296) 0.449 4.725 ( -0.293 -1.398 0.260) 1.452 4.734 ( 0.346 -0.324 -0.209) 0.518 4.747 ( -1.277 -1.049 -0.205) 1.666 4.798 ( -0.249 -0.417 0.627) 0.793 4.802 ( 0.358 -0.973 -0.217) 1.059 4.833 ( -0.176 1.514 -0.153) 1.532 4.858 ( 0.086 -0.942 -0.989) 1.368 5.075 ( -0.280 0.823 -1.272) 1.541 5.089 ( 0.245 -0.350 -0.513) 0.667 5.397 ( 1.100 0.890 1.477) 2.045 5.419 ( 0.397 -1.102 1.080) 1.594 11.399 ( -0.222 0.313 -1.629) 1.673 11.409 ( 0.119 -0.670 -1.196) 1.376 11.801 ( 0.456 0.829 2.599) 2.766 11.821 ( -1.034 -1.061 2.969) 3.318 12.077 ( 0.170 4.843 1.710) 5.138 12.179 ( -0.536 -4.951 1.063) 5.092 12.462 ( -0.542 0.453 -0.285) 0.762 12.471 ( -1.015 -0.310 -0.413) 1.139 13.513 ( 0.260 0.312 -0.068) 0.412 13.521 ( 0.245 -0.418 -0.100) 0.494 13.670 ( 0.198 0.235 0.192) 0.362 13.675 ( 0.257 -0.176 0.248) 0.398 13.914 ( 0.080 1.038 -0.010) 1.041 13.936 ( 0.139 -0.977 0.053) 0.988 15.220 ( 0.022 0.598 -0.025) 0.599 15.233 ( -0.042 -0.591 -0.088) 0.599 17.298 ( 0.375 2.283 -0.059) 2.314 17.348 ( 0.124 -2.293 -0.034) 2.297 17.514 ( -0.228 3.561 -0.952) 3.693 17.572 ( -0.392 -1.989 -1.928) 2.798 36.246 ( 0.089 0.033 0.187) 0.209 36.246 ( 0.114 -0.016 0.207) 0.237 36.571 ( -0.078 0.294 -0.159) 0.343 36.578 ( -0.078 -0.303 -0.195) 0.369 ======================= Grid point 10 (8/28) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 1.748 0.000) 1.748 0.589 ( 0.000 0.362 -0.000) 0.362 0.631 ( 0.000 -0.861 0.000) 0.861 0.676 ( -0.000 -1.383 0.000) 1.383 0.717 ( -0.000 1.819 -0.000) 1.819 0.751 ( 0.000 7.480 -0.000) 7.480 0.752 ( 0.000 1.619 0.000) 1.619 0.863 ( 0.000 0.110 -0.000) 0.110 0.865 ( -0.000 3.938 0.000) 3.938 0.873 ( 0.000 -0.408 -0.000) 0.408 0.920 ( 0.000 2.819 0.000) 2.819 0.936 ( 0.000 -6.127 0.000) 6.127 0.948 ( 0.000 -0.756 0.000) 0.756 0.963 ( 0.000 -4.899 0.000) 4.899 0.995 ( 0.000 0.121 0.000) 0.121 1.027 ( 0.000 -2.477 0.000) 2.477 1.092 ( 0.000 0.418 -0.000) 0.418 1.094 ( -0.000 0.038 0.000) 0.038 1.258 ( 0.000 -0.376 0.000) 0.376 1.262 ( 0.000 -0.925 0.000) 0.925 1.278 ( 0.000 0.300 0.000) 0.300 1.283 ( 0.000 -0.305 0.000) 0.305 1.311 ( 0.000 1.158 0.000) 1.158 1.317 ( 0.000 0.549 0.000) 0.549 1.343 ( 0.000 1.464 0.000) 1.464 1.354 ( 0.000 1.971 0.000) 1.971 1.360 ( 0.000 -0.493 0.000) 0.493 1.383 ( 0.000 1.150 0.000) 1.150 1.412 ( 0.000 -0.337 0.000) 0.337 1.416 ( 0.000 -2.008 0.000) 2.008 1.431 ( 0.000 0.937 0.000) 0.937 1.441 ( 0.000 -1.189 0.000) 1.189 1.449 ( 0.000 0.047 0.000) 0.047 1.467 ( 0.000 -1.643 0.000) 1.643 1.474 ( 0.000 0.868 0.000) 0.868 1.489 ( 0.000 -0.855 0.000) 0.855 1.503 ( 0.000 -0.080 0.000) 0.080 1.520 ( -0.000 0.330 -0.000) 0.330 1.525 ( 0.000 -1.076 0.000) 1.076 1.533 ( 0.000 0.177 0.000) 0.177 1.538 ( 0.000 0.187 -0.000) 0.187 1.543 ( -0.000 -2.133 0.000) 2.133 1.547 ( 0.000 0.787 0.000) 0.787 1.568 ( 0.000 -0.652 0.000) 0.652 1.583 ( 0.000 -0.121 -0.000) 0.121 1.587 ( 0.000 -0.545 0.000) 0.545 1.644 ( 0.000 0.258 0.000) 0.258 1.656 ( 0.000 -1.153 0.000) 1.153 1.684 ( 0.000 0.429 0.000) 0.429 1.691 ( 0.000 -0.150 0.000) 0.150 1.720 ( 0.000 0.699 0.000) 0.699 1.722 ( -0.000 0.791 -0.000) 0.791 1.728 ( -0.000 -0.195 0.000) 0.195 1.731 ( 0.000 -0.649 0.000) 0.649 1.759 ( 0.000 0.642 0.000) 0.642 1.765 ( 0.000 0.274 0.000) 0.274 1.823 ( 0.000 0.833 0.000) 0.833 1.842 ( 0.000 -0.976 0.000) 0.976 1.856 ( 0.000 1.309 0.000) 1.309 1.867 ( 0.000 -0.097 0.000) 0.097 1.904 ( -0.155 -0.064 -0.333) 0.372 1.904 ( 0.155 0.147 0.332) 0.395 2.027 ( 0.000 0.054 0.000) 0.054 2.034 ( 0.000 -0.761 0.000) 0.761 2.036 ( -0.000 1.757 -0.000) 1.757 2.067 ( 0.000 -1.006 -0.000) 1.006 2.114 ( 0.000 0.546 0.000) 0.546 2.125 ( 0.000 -0.213 0.000) 0.213 2.169 ( 0.000 0.457 0.000) 0.457 2.174 ( 0.000 0.188 0.000) 0.188 2.212 ( 0.000 0.438 0.000) 0.438 2.220 ( 0.000 -0.310 0.000) 0.310 2.312 ( 0.000 0.693 0.000) 0.693 2.323 ( 0.000 -0.316 0.000) 0.316 2.458 ( 0.000 0.308 0.000) 0.308 2.467 ( 0.000 -0.544 0.000) 0.544 2.473 ( 0.000 0.152 -0.000) 0.152 2.481 ( 0.000 -0.413 -0.000) 0.413 2.489 ( 0.000 1.097 0.000) 1.097 2.512 ( 0.000 -1.108 0.000) 1.108 2.552 ( 0.000 1.289 0.000) 1.289 2.556 ( 0.000 0.757 -0.000) 0.757 2.577 ( 0.000 -0.808 0.000) 0.808 2.591 ( 0.000 -0.087 0.000) 0.087 2.597 ( 0.000 0.355 0.000) 0.355 2.602 ( 0.000 0.322 -0.000) 0.322 2.625 ( 0.000 -1.203 0.000) 1.203 2.640 ( 0.000 -0.866 0.000) 0.866 2.723 ( 0.000 1.145 0.000) 1.145 2.755 ( 0.000 -0.227 0.000) 0.227 2.776 ( -0.000 1.247 -0.000) 1.247 2.784 ( 0.000 0.420 0.000) 0.420 2.815 ( 0.000 -1.526 0.000) 1.526 2.834 ( 0.000 -2.592 0.000) 2.592 2.870 ( 0.000 1.898 0.000) 1.898 2.881 ( 0.000 0.227 0.000) 0.227 2.903 ( 0.000 -0.241 0.000) 0.241 2.924 ( 0.000 0.278 0.000) 0.278 2.941 ( 0.000 -0.412 0.000) 0.412 2.979 ( 0.000 -2.400 0.000) 2.400 3.048 ( 0.000 0.817 0.000) 0.817 3.052 ( 0.000 -0.145 -0.000) 0.145 3.114 ( 0.000 0.446 0.000) 0.446 3.120 ( 0.000 0.303 0.000) 0.303 3.181 ( 0.000 -0.643 -0.000) 0.643 3.184 ( -0.000 0.353 0.000) 0.353 3.217 ( 0.000 1.304 0.000) 1.304 3.257 ( 0.000 1.088 0.000) 1.088 3.279 ( 0.000 -2.954 0.000) 2.954 3.300 ( 0.000 -2.776 0.000) 2.776 3.342 ( 0.000 0.653 0.000) 0.653 3.348 ( 0.000 0.185 0.000) 0.185 3.382 ( 0.000 1.055 0.000) 1.055 3.406 ( 0.000 -0.791 0.000) 0.791 3.426 ( 0.000 1.468 0.000) 1.468 3.427 ( 0.000 2.453 0.000) 2.453 3.439 ( 0.000 -0.155 0.000) 0.155 3.466 ( 0.000 -0.216 0.000) 0.216 3.502 ( 0.000 0.562 0.000) 0.562 3.516 ( 0.000 -0.764 0.000) 0.764 3.552 ( 0.000 -0.407 0.000) 0.407 3.563 ( 0.000 -0.891 0.000) 0.891 3.571 ( 0.000 -0.472 -0.000) 0.472 3.573 ( 0.000 -0.451 0.000) 0.451 3.589 ( -0.000 -0.593 -0.000) 0.593 3.590 ( 0.000 -0.254 0.000) 0.254 3.614 ( 0.000 2.898 -0.000) 2.898 3.659 ( 0.000 0.576 0.000) 0.576 3.660 ( 0.000 0.895 -0.000) 0.895 3.675 ( 0.000 -1.952 0.000) 1.952 3.703 ( 0.000 2.370 0.000) 2.370 3.718 ( 0.000 0.411 0.000) 0.411 3.740 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 -0.853 0.000) 0.853 3.793 ( 0.000 1.194 -0.000) 1.194 3.806 ( 0.000 -1.397 0.000) 1.397 3.861 ( 0.000 -0.701 0.000) 0.701 3.871 ( 0.000 -1.559 -0.000) 1.559 4.020 ( 0.000 0.992 0.000) 0.992 4.050 ( -0.773 -0.864 -2.836) 3.063 4.051 ( 0.773 -0.337 2.836) 2.958 4.056 ( 0.000 0.042 0.000) 0.042 4.225 ( 0.000 2.323 0.000) 2.323 4.273 ( 0.000 -2.037 0.000) 2.037 4.360 ( 0.000 1.049 0.000) 1.049 4.387 ( 0.000 -1.703 0.000) 1.703 4.438 ( 0.000 0.457 0.000) 0.457 4.442 ( 0.000 0.300 0.000) 0.300 4.468 ( 0.000 0.329 0.000) 0.329 4.471 ( 0.000 0.037 0.000) 0.037 4.528 ( 0.000 0.891 0.000) 0.891 4.543 ( 0.000 -0.668 0.000) 0.668 4.653 ( 0.000 1.824 -0.000) 1.824 4.657 ( 0.000 0.658 0.000) 0.658 4.666 ( 0.000 1.185 -0.000) 1.185 4.679 ( 0.000 0.389 0.000) 0.389 4.707 ( 0.000 -0.604 0.000) 0.604 4.722 ( 0.000 -1.162 0.000) 1.162 4.735 ( 0.000 -0.620 0.000) 0.620 4.740 ( 0.000 -0.859 0.000) 0.859 4.800 ( 0.000 -0.249 0.000) 0.249 4.806 ( 0.000 -1.136 -0.000) 1.136 4.828 ( 0.000 1.286 0.000) 1.286 4.853 ( 0.000 -0.991 0.000) 0.991 5.066 ( 0.000 1.428 0.000) 1.428 5.088 ( 0.000 -0.601 0.000) 0.601 5.414 ( 0.000 0.479 0.000) 0.479 5.428 ( 0.000 -0.810 0.000) 0.810 11.389 ( 0.000 0.533 0.000) 0.533 11.403 ( 0.000 -0.880 0.000) 0.880 11.820 ( 0.000 0.567 0.000) 0.567 11.827 ( 0.000 -0.173 0.000) 0.173 12.088 ( 0.000 4.074 0.000) 4.074 12.179 ( 0.000 -4.495 0.000) 4.495 12.455 ( 0.000 0.263 0.000) 0.263 12.459 ( 0.000 -0.059 0.000) 0.059 13.515 ( 0.000 0.300 0.000) 0.300 13.523 ( 0.000 -0.403 0.000) 0.403 13.673 ( 0.000 0.264 0.000) 0.264 13.678 ( 0.000 -0.214 0.000) 0.214 13.915 ( 0.000 1.081 0.000) 1.081 13.937 ( 0.000 -1.014 0.000) 1.014 15.221 ( 0.000 0.551 0.000) 0.551 15.232 ( 0.000 -0.553 0.000) 0.553 17.301 ( 0.000 2.209 0.000) 2.209 17.349 ( 0.000 -2.196 0.000) 2.196 17.510 ( 0.000 2.625 0.000) 2.625 17.560 ( 0.000 -2.005 0.000) 2.005 36.247 ( 0.000 0.051 0.000) 0.051 36.248 ( 0.000 -0.033 0.000) 0.033 36.569 ( 0.000 0.289 0.000) 0.289 36.576 ( 0.000 -0.294 0.000) 0.294 ======================= Grid point 21 (9/28) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( -0.256 0.000 12.642) 12.645 0.353 ( -4.356 0.000 15.517) 16.117 0.546 ( -0.419 0.000 22.225) 22.229 0.659 ( -1.155 0.000 2.474) 2.730 0.659 ( -2.383 0.000 -3.666) 4.373 0.714 ( 3.088 0.000 2.511) 3.980 0.746 ( -1.312 0.000 -4.344) 4.538 0.780 ( 2.040 0.000 -5.126) 5.517 0.865 ( -2.313 0.000 -4.885) 5.405 0.916 ( 1.035 0.000 3.315) 3.473 0.936 ( -0.752 0.000 -4.523) 4.585 0.953 ( 0.313 0.000 3.087) 3.103 0.963 ( 1.710 0.000 -5.433) 5.696 1.001 ( 0.321 0.000 -0.558) 0.644 1.019 ( -0.493 0.000 0.112) 0.505 1.035 ( 1.119 0.000 0.605) 1.272 1.081 ( 0.299 0.000 -1.334) 1.367 1.082 ( 1.540 0.000 -0.211) 1.554 1.205 ( 0.410 0.000 3.866) 3.888 1.206 ( 0.138 0.000 2.672) 2.676 1.265 ( 0.884 0.000 -0.016) 0.884 1.272 ( -0.335 0.000 0.979) 1.034 1.285 ( 0.677 0.000 -0.053) 0.679 1.319 ( -0.209 0.000 -0.553) 0.592 1.340 ( 0.478 0.000 1.722) 1.787 1.351 ( 1.153 0.000 3.560) 3.742 1.384 ( 0.029 0.000 -0.266) 0.268 1.386 ( 0.507 0.000 3.263) 3.302 1.421 ( 0.506 0.000 0.925) 1.055 1.444 ( -1.471 0.000 1.447) 2.063 1.446 ( 0.104 0.000 1.471) 1.474 1.455 ( -0.849 0.000 -1.107) 1.395 1.455 ( -0.062 0.000 0.483) 0.487 1.474 ( 0.552 0.000 -0.144) 0.571 1.488 ( 1.193 0.000 0.740) 1.404 1.496 ( -0.269 0.000 0.150) 0.308 1.496 ( -0.025 0.000 -0.283) 0.284 1.513 ( -0.962 0.000 -0.980) 1.373 1.514 ( -0.103 0.000 -0.188) 0.215 1.542 ( 0.300 0.000 -1.062) 1.104 1.549 ( 0.082 0.000 -0.217) 0.232 1.556 ( -0.761 0.000 0.950) 1.217 1.572 ( 0.044 0.000 -1.031) 1.032 1.577 ( 0.156 0.000 0.408) 0.436 1.605 ( -0.408 0.000 -0.562) 0.694 1.625 ( -0.152 0.000 -0.278) 0.317 1.654 ( 0.690 0.000 -2.060) 2.172 1.655 ( -0.276 0.000 -2.513) 2.528 1.697 ( -0.316 0.000 -2.134) 2.157 1.709 ( 0.359 0.000 -1.413) 1.458 1.728 ( -0.561 0.000 -2.062) 2.137 1.729 ( -1.798 0.000 0.563) 1.884 1.769 ( 0.210 0.000 -0.116) 0.240 1.784 ( -0.313 0.000 -1.162) 1.203 1.792 ( 0.230 0.000 0.511) 0.561 1.811 ( -1.842 0.000 -1.827) 2.594 1.831 ( 0.206 0.000 1.311) 1.328 1.831 ( -0.490 0.000 -1.823) 1.888 1.832 ( 0.103 0.000 -1.684) 1.687 1.868 ( -0.055 0.000 0.004) 0.055 1.894 ( -0.017 0.000 0.258) 0.259 1.898 ( -0.142 0.000 0.243) 0.282 2.036 ( -1.122 0.000 -0.124) 1.129 2.057 ( -0.447 0.000 -0.846) 0.957 2.078 ( -0.230 0.000 -0.974) 1.001 2.079 ( -0.190 0.000 -0.335) 0.385 2.090 ( 0.204 0.000 0.473) 0.515 2.092 ( 0.716 0.000 0.603) 0.936 2.159 ( -0.353 0.000 -0.303) 0.465 2.160 ( -0.381 0.000 0.634) 0.740 2.199 ( -0.877 0.000 -0.173) 0.893 2.214 ( -0.456 0.000 -1.778) 1.835 2.321 ( -0.240 0.000 0.532) 0.583 2.327 ( 0.095 0.000 0.404) 0.416 2.415 ( -0.339 0.000 1.023) 1.077 2.450 ( 0.063 0.000 0.171) 0.182 2.474 ( -0.067 0.000 -0.073) 0.099 2.482 ( 0.474 0.000 -1.693) 1.758 2.496 ( -0.467 0.000 0.056) 0.470 2.522 ( 0.310 0.000 -0.883) 0.935 2.529 ( -0.205 0.000 0.835) 0.860 2.548 ( 1.106 0.000 0.119) 1.112 2.582 ( -0.370 0.000 -0.040) 0.372 2.592 ( 0.187 0.000 -0.936) 0.954 2.605 ( 0.158 0.000 0.355) 0.388 2.606 ( 0.684 0.000 -0.507) 0.851 2.630 ( 0.560 0.000 -1.000) 1.146 2.660 ( 1.802 0.000 -3.266) 3.731 2.736 ( -0.730 0.000 1.581) 1.741 2.742 ( -0.877 0.000 -0.113) 0.884 2.783 ( 0.610 0.000 0.341) 0.699 2.811 ( 0.509 0.000 0.004) 0.509 2.833 ( 0.913 0.000 -1.435) 1.701 2.838 ( -1.177 0.000 0.893) 1.477 2.873 ( 0.378 0.000 0.372) 0.531 2.902 ( -0.179 0.000 0.421) 0.457 2.910 ( -1.693 0.000 -0.266) 1.714 2.919 ( 0.231 0.000 -0.985) 1.012 2.960 ( 0.028 0.000 -1.528) 1.529 2.996 ( 0.971 0.000 -1.228) 1.565 3.042 ( 2.058 0.000 0.964) 2.272 3.043 ( -0.516 0.000 0.962) 1.091 3.099 ( -1.244 0.000 1.031) 1.616 3.125 ( 0.065 0.000 0.443) 0.448 3.183 ( 0.253 0.000 -1.002) 1.034 3.190 ( -0.109 0.000 -0.761) 0.769 3.199 ( 0.483 0.000 0.276) 0.557 3.263 ( -0.553 0.000 1.381) 1.488 3.279 ( 0.733 0.000 3.184) 3.267 3.286 ( -0.287 0.000 1.590) 1.616 3.297 ( 1.461 0.000 -2.395) 2.805 3.351 ( 0.418 0.000 -0.640) 0.765 3.356 ( -0.047 0.000 0.544) 0.546 3.405 ( -0.230 0.000 -0.535) 0.583 3.411 ( 0.209 0.000 0.799) 0.826 3.419 ( -0.566 0.000 1.064) 1.205 3.455 ( 0.188 0.000 0.472) 0.508 3.469 ( 1.071 0.000 -2.309) 2.545 3.478 ( -1.031 0.000 2.147) 2.382 3.521 ( 0.494 0.000 0.589) 0.769 3.542 ( 0.052 0.000 -0.236) 0.242 3.550 ( 0.633 0.000 -0.397) 0.748 3.572 ( -0.365 0.000 -0.224) 0.428 3.596 ( -0.628 0.000 -0.497) 0.801 3.597 ( -0.238 0.000 0.333) 0.410 3.602 ( -0.422 0.000 1.281) 1.349 3.621 ( -1.210 0.000 0.218) 1.229 3.648 ( -0.023 0.000 -0.148) 0.150 3.663 ( 0.999 0.000 -1.151) 1.524 3.684 ( -0.651 0.000 -0.132) 0.665 3.704 ( 0.383 0.000 1.070) 1.137 3.710 ( -1.443 0.000 0.074) 1.445 3.737 ( 0.862 0.000 -0.821) 1.191 3.773 ( -0.040 0.000 1.727) 1.727 3.793 ( 0.960 0.000 -2.139) 2.344 3.810 ( -1.518 0.000 0.343) 1.556 3.868 ( 0.317 0.000 1.723) 1.752 3.882 ( -1.378 0.000 1.617) 2.124 4.004 ( 0.851 0.000 1.269) 1.528 4.086 ( -0.071 0.000 -0.763) 0.766 4.116 ( -1.496 0.000 -2.246) 2.699 4.118 ( -0.455 0.000 -2.226) 2.273 4.215 ( -0.479 0.000 0.134) 0.497 4.278 ( 0.154 0.000 -1.301) 1.310 4.380 ( 2.737 0.000 0.763) 2.842 4.382 ( 0.735 0.000 0.842) 1.118 4.415 ( -1.182 0.000 1.246) 1.718 4.444 ( 0.480 0.000 0.050) 0.483 4.457 ( -1.045 0.000 0.032) 1.046 4.476 ( -0.308 0.000 -1.732) 1.759 4.559 ( 0.349 0.000 0.613) 0.706 4.563 ( 0.118 0.000 -0.940) 0.947 4.632 ( 0.169 0.000 0.085) 0.189 4.642 ( 1.196 0.000 0.016) 1.196 4.646 ( -0.041 0.000 -0.047) 0.062 4.654 ( -0.143 0.000 0.344) 0.373 4.673 ( 0.660 0.000 0.160) 0.679 4.708 ( 0.479 0.000 -1.621) 1.690 4.763 ( 0.319 0.000 -0.060) 0.324 4.782 ( 1.012 0.000 -1.438) 1.759 4.810 ( 1.856 0.000 0.695) 1.982 4.817 ( -0.013 0.000 0.620) 0.620 4.827 ( -1.633 0.000 1.394) 2.147 4.835 ( -2.280 0.000 0.138) 2.284 5.077 ( 0.593 0.000 -1.686) 1.788 5.097 ( -0.881 0.000 -1.394) 1.649 5.357 ( 0.157 0.000 3.105) 3.109 5.416 ( 0.631 0.000 0.358) 0.725 11.408 ( 0.060 0.000 -1.454) 1.455 11.413 ( -0.976 0.000 -2.244) 2.447 11.797 ( 0.194 0.000 5.230) 5.234 11.988 ( -0.013 0.000 4.163) 4.163 12.032 ( -5.189 0.000 -4.804) 7.071 12.113 ( 13.350 0.000 -1.043) 13.391 12.486 ( -0.668 0.000 1.215) 1.387 12.507 ( -0.411 0.000 -0.162) 0.442 13.505 ( -0.122 0.000 0.061) 0.137 13.517 ( 0.100 0.000 -0.368) 0.382 13.663 ( 0.030 0.000 0.242) 0.244 13.666 ( 0.146 0.000 0.186) 0.236 13.909 ( -0.407 0.000 0.539) 0.675 13.936 ( 0.365 0.000 -0.446) 0.576 15.216 ( -0.190 0.000 0.371) 0.416 15.238 ( 0.138 0.000 -0.481) 0.500 17.267 ( -0.360 0.000 0.469) 0.591 17.325 ( 1.299 0.000 -2.536) 2.849 17.496 ( -1.513 0.000 3.762) 4.055 17.655 ( -6.933 0.000 -3.328) 7.690 36.243 ( 0.090 0.000 0.245) 0.261 36.244 ( 0.018 0.000 0.224) 0.225 36.575 ( -0.182 0.000 -0.117) 0.216 36.582 ( 0.002 0.000 -0.344) 0.344 ======================= Grid point 22 (10/28) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 4.669 0.000 10.373) 11.376 0.472 ( 0.779 0.000 12.562) 12.586 0.609 ( 1.295 0.000 -3.462) 3.696 0.636 ( -0.502 0.000 -0.999) 1.119 0.691 ( -2.083 0.000 5.181) 5.584 0.735 ( 0.906 0.000 0.693) 1.141 0.749 ( 0.793 0.000 -4.232) 4.305 0.800 ( 3.960 0.000 1.907) 4.395 0.811 ( -2.214 0.000 4.387) 4.914 0.879 ( -0.274 0.000 -4.518) 4.526 0.935 ( 1.930 0.000 -4.527) 4.921 0.949 ( -1.927 0.000 1.339) 2.346 0.988 ( 0.567 0.000 1.715) 1.806 1.000 ( -0.380 0.000 0.040) 0.382 1.005 ( -0.048 0.000 1.437) 1.438 1.047 ( 0.316 0.000 -1.299) 1.337 1.072 ( 1.080 0.000 -1.619) 1.946 1.092 ( 0.070 0.000 -1.738) 1.740 1.247 ( 1.406 0.000 2.546) 2.908 1.255 ( 0.301 0.000 0.562) 0.637 1.264 ( 0.689 0.000 2.858) 2.940 1.290 ( 0.488 0.000 0.763) 0.906 1.296 ( 0.693 0.000 -0.068) 0.696 1.307 ( -0.413 0.000 -1.019) 1.099 1.363 ( -1.175 0.000 0.151) 1.185 1.366 ( -0.239 0.000 2.545) 2.557 1.374 ( -1.437 0.000 -0.509) 1.524 1.400 ( -1.257 0.000 -0.579) 1.384 1.427 ( -0.322 0.000 0.119) 0.344 1.438 ( -0.547 0.000 0.919) 1.070 1.455 ( -0.355 0.000 1.489) 1.531 1.455 ( -0.047 0.000 2.013) 2.013 1.474 ( -0.144 0.000 1.618) 1.624 1.477 ( -1.741 0.000 -0.556) 1.827 1.480 ( 0.172 0.000 0.419) 0.453 1.496 ( 0.952 0.000 0.025) 0.952 1.501 ( 0.444 0.000 0.325) 0.550 1.505 ( -0.219 0.000 0.127) 0.253 1.518 ( 1.188 0.000 0.738) 1.399 1.525 ( -1.032 0.000 -2.485) 2.691 1.540 ( 0.306 0.000 -0.713) 0.776 1.559 ( -0.367 0.000 0.841) 0.917 1.568 ( -1.338 0.000 -1.925) 2.345 1.578 ( 1.089 0.000 -0.343) 1.142 1.581 ( 0.149 0.000 0.287) 0.323 1.603 ( -1.170 0.000 -2.537) 2.794 1.632 ( 0.610 0.000 -2.027) 2.117 1.658 ( 1.089 0.000 -1.051) 1.513 1.672 ( -1.190 0.000 -1.993) 2.321 1.685 ( 0.676 0.000 -1.297) 1.463 1.718 ( 0.443 0.000 1.209) 1.288 1.722 ( -1.050 0.000 0.117) 1.057 1.753 ( -0.449 0.000 -0.481) 0.658 1.761 ( -1.694 0.000 -0.499) 1.766 1.768 ( -0.480 0.000 -0.591) 0.762 1.792 ( -1.349 0.000 -2.165) 2.550 1.808 ( 0.069 0.000 1.335) 1.337 1.829 ( -0.046 0.000 -0.635) 0.637 1.853 ( 0.650 0.000 1.011) 1.202 1.868 ( 0.089 0.000 -0.320) 0.332 1.895 ( -0.471 0.000 0.251) 0.533 1.902 ( 0.358 0.000 0.496) 0.612 2.022 ( -0.717 0.000 0.470) 0.858 2.041 ( -0.657 0.000 -0.155) 0.675 2.065 ( -0.581 0.000 -0.374) 0.691 2.074 ( 0.069 0.000 -0.272) 0.281 2.103 ( 0.416 0.000 0.534) 0.677 2.113 ( 0.889 0.000 0.692) 1.126 2.158 ( 0.155 0.000 0.542) 0.564 2.160 ( -0.047 0.000 0.230) 0.235 2.193 ( 0.356 0.000 -0.132) 0.380 2.200 ( 0.789 0.000 -1.242) 1.471 2.319 ( -0.735 0.000 0.642) 0.975 2.331 ( -0.212 0.000 0.308) 0.374 2.426 ( 0.526 0.000 0.666) 0.849 2.460 ( 0.407 0.000 0.941) 1.025 2.473 ( 0.388 0.000 -1.455) 1.506 2.474 ( 0.016 0.000 -0.171) 0.172 2.490 ( -0.240 0.000 0.214) 0.321 2.521 ( 0.743 0.000 -1.043) 1.281 2.536 ( -0.004 0.000 0.920) 0.920 2.555 ( -0.082 0.000 -0.378) 0.386 2.577 ( -0.264 0.000 0.158) 0.307 2.586 ( 0.103 0.000 -0.704) 0.711 2.609 ( -0.106 0.000 0.391) 0.405 2.610 ( 0.633 0.000 -1.076) 1.249 2.626 ( 0.238 0.000 -1.166) 1.190 2.642 ( 0.345 0.000 -2.934) 2.955 2.732 ( -0.406 0.000 0.706) 0.815 2.735 ( -0.933 0.000 1.186) 1.509 2.784 ( -0.666 0.000 -0.045) 0.668 2.812 ( -0.586 0.000 0.226) 0.628 2.832 ( 0.977 0.000 -2.124) 2.338 2.832 ( -0.216 0.000 0.418) 0.470 2.885 ( -1.225 0.000 0.273) 1.256 2.888 ( -0.050 0.000 0.735) 0.736 2.907 ( 0.252 0.000 1.036) 1.066 2.912 ( -0.042 0.000 -0.584) 0.586 2.949 ( 0.227 0.000 -1.306) 1.326 2.997 ( 0.888 0.000 -1.402) 1.659 3.035 ( -0.834 0.000 -0.122) 0.843 3.078 ( 1.740 0.000 -0.250) 1.758 3.085 ( -1.747 0.000 1.170) 2.103 3.126 ( -0.227 0.000 0.109) 0.251 3.182 ( 0.666 0.000 -0.949) 1.159 3.183 ( -0.023 0.000 -0.254) 0.255 3.206 ( -0.114 0.000 0.448) 0.462 3.267 ( -0.949 0.000 1.952) 2.170 3.295 ( 1.468 0.000 -2.525) 2.921 3.310 ( 0.733 0.000 1.988) 2.118 3.322 ( 0.973 0.000 2.035) 2.255 3.342 ( -0.037 0.000 -1.872) 1.872 3.365 ( 0.098 0.000 1.133) 1.137 3.391 ( -0.814 0.000 -0.194) 0.837 3.419 ( -0.459 0.000 0.790) 0.914 3.425 ( 0.420 0.000 0.708) 0.823 3.452 ( -0.282 0.000 -0.889) 0.932 3.460 ( 1.071 0.000 -2.349) 2.582 3.482 ( -0.887 0.000 1.756) 1.967 3.522 ( 0.038 0.000 -0.894) 0.894 3.553 ( 0.449 0.000 0.321) 0.552 3.560 ( 0.592 0.000 0.542) 0.803 3.570 ( -0.078 0.000 1.297) 1.299 3.582 ( -0.414 0.000 -1.303) 1.367 3.583 ( -0.508 0.000 0.230) 0.557 3.620 ( -0.577 0.000 2.002) 2.083 3.621 ( -0.263 0.000 1.139) 1.169 3.640 ( 0.300 0.000 -0.949) 0.996 3.660 ( 0.261 0.000 -1.425) 1.449 3.667 ( -0.961 0.000 -0.520) 1.093 3.705 ( -0.271 0.000 1.610) 1.633 3.712 ( -0.206 0.000 0.536) 0.574 3.736 ( 0.356 0.000 -1.464) 1.506 3.786 ( 0.055 0.000 -0.328) 0.332 3.792 ( -1.124 0.000 0.518) 1.238 3.799 ( 1.393 0.000 0.261) 1.417 3.881 ( -0.720 0.000 1.217) 1.414 3.889 ( 0.141 0.000 1.758) 1.764 4.037 ( 0.804 0.000 2.281) 2.418 4.059 ( -2.384 0.000 -1.407) 2.768 4.070 ( -0.866 0.000 -0.284) 0.911 4.083 ( -0.990 0.000 -2.210) 2.422 4.212 ( -0.620 0.000 1.062) 1.230 4.276 ( 0.858 0.000 -0.897) 1.241 4.388 ( -1.602 0.000 0.222) 1.617 4.399 ( 0.848 0.000 -0.353) 0.919 4.416 ( 0.081 0.000 0.155) 0.175 4.449 ( -0.557 0.000 -0.394) 0.682 4.456 ( 0.629 0.000 0.467) 0.784 4.458 ( 0.342 0.000 0.133) 0.367 4.541 ( -1.240 0.000 -0.567) 1.364 4.560 ( -0.340 0.000 -0.457) 0.570 4.635 ( -0.028 0.000 0.179) 0.182 4.645 ( 0.007 0.000 -0.823) 0.823 4.652 ( -0.233 0.000 0.707) 0.745 4.658 ( 0.564 0.000 0.536) 0.778 4.695 ( 1.663 0.000 -0.305) 1.690 4.702 ( 1.047 0.000 -2.113) 2.359 4.758 ( -0.154 0.000 -0.922) 0.935 4.781 ( -0.336 0.000 -0.707) 0.783 4.795 ( -1.436 0.000 -0.359) 1.481 4.823 ( -0.555 0.000 1.208) 1.329 4.827 ( -0.007 0.000 1.261) 1.261 4.847 ( 1.494 0.000 0.423) 1.552 5.067 ( -0.946 0.000 -1.210) 1.535 5.081 ( 0.877 0.000 -0.255) 0.913 5.389 ( 0.600 0.000 1.941) 2.031 5.426 ( 0.558 0.000 -0.408) 0.691 11.386 ( -0.349 0.000 -0.917) 0.982 11.401 ( 0.547 0.000 -0.735) 0.916 11.841 ( -0.993 0.000 4.857) 4.957 11.921 ( -4.405 0.000 -1.837) 4.773 12.027 ( 0.333 0.000 1.990) 2.017 12.191 ( 3.382 0.000 -5.235) 6.232 12.479 ( -1.454 0.000 1.320) 1.964 12.491 ( -1.359 0.000 -0.109) 1.363 13.507 ( 0.163 0.000 0.138) 0.214 13.518 ( 0.391 0.000 -0.309) 0.498 13.667 ( 0.144 0.000 0.152) 0.209 13.672 ( 0.374 0.000 0.000) 0.374 13.908 ( -0.326 0.000 0.543) 0.634 13.939 ( 0.487 0.000 -0.447) 0.661 15.217 ( -0.150 0.000 0.407) 0.434 15.236 ( 0.141 0.000 -0.448) 0.470 17.270 ( 0.117 0.000 0.492) 0.506 17.325 ( 1.707 0.000 -2.327) 2.886 17.518 ( -1.119 0.000 4.815) 4.943 17.579 ( -1.238 0.000 -0.857) 1.505 36.246 ( 0.040 0.000 0.093) 0.101 36.247 ( 0.109 0.000 0.153) 0.188 36.571 ( -0.242 0.000 0.074) 0.253 36.579 ( 0.008 0.000 -0.237) 0.237 ======================= Grid point 23 (11/28) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.242 0.000 3.334) 3.343 0.574 ( -1.865 0.000 3.193) 3.698 0.634 ( 1.996 0.000 0.615) 2.089 0.650 ( 3.875 0.000 2.605) 4.669 0.681 ( 0.210 0.000 1.065) 1.086 0.732 ( 2.043 0.000 -1.047) 2.296 0.751 ( -0.162 0.000 0.264) 0.310 0.801 ( -4.404 0.000 0.843) 4.484 0.833 ( 0.189 0.000 -2.579) 2.586 0.878 ( 1.202 0.000 0.085) 1.205 0.919 ( -1.405 0.000 2.464) 2.836 0.939 ( 1.259 0.000 -0.332) 1.302 0.990 ( -0.141 0.000 -0.791) 0.804 0.991 ( 0.241 0.000 -7.069) 7.073 1.000 ( -0.620 0.000 0.679) 0.919 1.030 ( 0.821 0.000 -3.379) 3.477 1.074 ( 0.075 0.000 0.027) 0.080 1.080 ( 1.156 0.000 -1.112) 1.604 1.244 ( 0.151 0.000 -1.313) 1.322 1.269 ( -0.675 0.000 -3.264) 3.334 1.281 ( 0.180 0.000 -0.729) 0.751 1.286 ( -1.175 0.000 -0.899) 1.479 1.302 ( -0.352 0.000 0.134) 0.376 1.304 ( 0.638 0.000 -0.613) 0.884 1.340 ( -1.103 0.000 0.067) 1.105 1.340 ( -0.922 0.000 1.062) 1.406 1.376 ( -0.480 0.000 -0.486) 0.683 1.380 ( -1.285 0.000 1.480) 1.960 1.417 ( -0.557 0.000 -0.852) 1.018 1.423 ( -1.186 0.000 -0.103) 1.190 1.442 ( -0.836 0.000 -0.776) 1.141 1.451 ( -1.243 0.000 -0.525) 1.349 1.460 ( -0.508 0.000 -1.956) 2.021 1.467 ( -1.174 0.000 0.195) 1.190 1.477 ( -0.159 0.000 0.073) 0.175 1.501 ( 0.307 0.000 -0.102) 0.324 1.507 ( -0.628 0.000 -1.457) 1.587 1.514 ( 0.306 0.000 -2.857) 2.873 1.532 ( 0.460 0.000 0.189) 0.498 1.536 ( 0.646 0.000 1.556) 1.685 1.541 ( 0.605 0.000 1.880) 1.975 1.547 ( 1.253 0.000 0.349) 1.301 1.572 ( 0.013 0.000 -0.860) 0.860 1.575 ( -0.114 0.000 2.291) 2.294 1.591 ( -0.144 0.000 1.095) 1.105 1.596 ( 0.101 0.000 2.041) 2.043 1.636 ( 0.491 0.000 0.330) 0.592 1.651 ( 0.617 0.000 -0.425) 0.749 1.667 ( 0.919 0.000 -0.357) 0.986 1.689 ( 1.067 0.000 -0.550) 1.200 1.711 ( -0.217 0.000 0.979) 1.003 1.730 ( -1.081 0.000 1.196) 1.612 1.752 ( -0.684 0.000 -0.156) 0.702 1.753 ( 0.159 0.000 2.162) 2.168 1.762 ( -0.644 0.000 1.197) 1.359 1.773 ( -0.098 0.000 2.862) 2.864 1.817 ( 0.026 0.000 0.193) 0.194 1.824 ( 0.327 0.000 -0.565) 0.653 1.862 ( 0.192 0.000 -1.417) 1.430 1.863 ( -0.083 0.000 0.234) 0.248 1.891 ( -0.358 0.000 0.138) 0.384 1.906 ( 0.088 0.000 -0.402) 0.412 2.024 ( -0.157 0.000 1.318) 1.327 2.040 ( -0.273 0.000 1.403) 1.430 2.055 ( -0.578 0.000 0.546) 0.796 2.070 ( -0.104 0.000 -0.608) 0.617 2.108 ( 0.210 0.000 -0.444) 0.491 2.123 ( 0.172 0.000 -0.446) 0.478 2.162 ( 0.040 0.000 0.085) 0.095 2.168 ( 0.232 0.000 0.479) 0.532 2.208 ( 0.719 0.000 1.150) 1.357 2.219 ( 1.364 0.000 1.337) 1.910 2.314 ( -0.611 0.000 0.593) 0.851 2.326 ( -0.311 0.000 -0.253) 0.401 2.443 ( 0.911 0.000 0.502) 1.040 2.461 ( 0.260 0.000 -1.266) 1.292 2.465 ( -0.132 0.000 -1.495) 1.501 2.482 ( 0.481 0.000 1.067) 1.171 2.493 ( -0.356 0.000 0.850) 0.921 2.522 ( 0.487 0.000 -0.889) 1.014 2.544 ( -0.797 0.000 0.156) 0.812 2.545 ( 0.111 0.000 0.443) 0.456 2.577 ( -0.407 0.000 0.620) 0.742 2.585 ( 0.332 0.000 -0.177) 0.376 2.604 ( -0.321 0.000 -0.757) 0.822 2.606 ( 0.517 0.000 -1.311) 1.409 2.619 ( 0.663 0.000 -1.217) 1.386 2.630 ( 0.743 0.000 -1.073) 1.305 2.732 ( -0.876 0.000 1.089) 1.397 2.736 ( -0.144 0.000 0.426) 0.449 2.772 ( -0.546 0.000 0.207) 0.584 2.802 ( -0.188 0.000 -0.974) 0.992 2.822 ( 0.052 0.000 -0.503) 0.506 2.838 ( 0.192 0.000 0.683) 0.709 2.879 ( -0.006 0.000 0.328) 0.329 2.884 ( -0.447 0.000 0.070) 0.452 2.908 ( -0.021 0.000 -0.029) 0.036 2.923 ( -0.460 0.000 1.433) 1.505 2.947 ( 0.886 0.000 -0.073) 0.889 2.997 ( 0.681 0.000 -1.237) 1.412 3.019 ( -0.346 0.000 -0.874) 0.940 3.071 ( -1.413 0.000 1.166) 1.831 3.091 ( 0.936 0.000 -1.385) 1.671 3.123 ( -0.086 0.000 -0.158) 0.180 3.183 ( -0.272 0.000 0.703) 0.754 3.184 ( 0.514 0.000 -0.538) 0.743 3.208 ( 0.002 0.000 0.538) 0.538 3.273 ( -0.649 0.000 1.903) 2.011 3.289 ( 1.231 0.000 -3.456) 3.669 3.311 ( -0.260 0.000 -2.601) 2.614 3.328 ( -0.403 0.000 0.512) 0.651 3.349 ( 1.080 0.000 -0.187) 1.096 3.375 ( -0.298 0.000 0.279) 0.408 3.387 ( -0.333 0.000 1.176) 1.223 3.420 ( -0.346 0.000 0.502) 0.610 3.423 ( 0.080 0.000 -1.386) 1.388 3.449 ( -0.249 0.000 1.291) 1.314 3.458 ( 1.173 0.000 -1.914) 2.245 3.483 ( -0.894 0.000 1.249) 1.536 3.516 ( 0.086 0.000 -0.551) 0.558 3.547 ( -0.049 0.000 -1.138) 1.139 3.558 ( -0.329 0.000 -2.115) 2.140 3.575 ( 0.214 0.000 0.631) 0.666 3.578 ( -0.646 0.000 1.118) 1.291 3.599 ( 0.614 0.000 1.811) 1.912 3.616 ( -0.460 0.000 -0.365) 0.587 3.625 ( -0.557 0.000 0.956) 1.106 3.648 ( 0.693 0.000 0.029) 0.694 3.650 ( -0.451 0.000 -0.239) 0.511 3.656 ( -0.113 0.000 0.556) 0.567 3.708 ( -0.263 0.000 -0.874) 0.913 3.709 ( -0.569 0.000 0.036) 0.570 3.731 ( 0.196 0.000 0.389) 0.436 3.781 ( 0.009 0.000 -0.579) 0.579 3.787 ( -0.425 0.000 0.895) 0.991 3.820 ( 0.383 0.000 0.229) 0.446 3.881 ( -0.018 0.000 0.425) 0.425 3.903 ( -0.344 0.000 1.248) 1.295 4.012 ( -1.391 0.000 -2.210) 2.612 4.037 ( -1.013 0.000 -1.841) 2.101 4.066 ( -0.399 0.000 1.609) 1.658 4.081 ( 0.623 0.000 2.404) 2.483 4.220 ( -0.454 0.000 2.304) 2.348 4.284 ( 0.958 0.000 -0.507) 1.083 4.364 ( -1.465 0.000 0.623) 1.592 4.399 ( 0.678 0.000 -1.733) 1.861 4.416 ( 0.165 0.000 -0.497) 0.523 4.441 ( -0.220 0.000 0.031) 0.222 4.472 ( 0.237 0.000 1.324) 1.345 4.474 ( 0.649 0.000 0.833) 1.056 4.520 ( -1.004 0.000 -0.247) 1.034 4.542 ( -0.410 0.000 -1.765) 1.812 4.635 ( -0.163 0.000 0.287) 0.330 4.636 ( 0.111 0.000 -0.489) 0.501 4.650 ( -0.224 0.000 -0.715) 0.749 4.672 ( 0.190 0.000 1.000) 1.018 4.707 ( 1.512 0.000 -0.829) 1.724 4.712 ( 1.386 0.000 -1.352) 1.936 4.743 ( -0.495 0.000 -0.929) 1.053 4.759 ( -1.195 0.000 0.334) 1.241 4.792 ( 0.282 0.000 -0.145) 0.318 4.827 ( -0.120 0.000 0.574) 0.586 4.839 ( -0.310 0.000 1.474) 1.507 4.866 ( 0.223 0.000 0.741) 0.774 5.052 ( -0.148 0.000 0.226) 0.271 5.094 ( 0.362 0.000 0.616) 0.714 5.406 ( 0.182 0.000 -0.027) 0.184 5.425 ( 0.486 0.000 -1.536) 1.611 11.385 ( 0.344 0.000 0.841) 0.909 11.411 ( 0.747 0.000 0.606) 0.962 11.848 ( -2.866 0.000 -2.000) 3.495 11.849 ( -2.909 0.000 2.205) 3.650 12.032 ( 0.310 0.000 -1.110) 1.153 12.175 ( 2.185 0.000 -5.746) 6.148 12.471 ( -1.028 0.000 0.438) 1.118 12.471 ( -1.085 0.000 1.342) 1.725 13.512 ( 0.175 0.000 0.231) 0.290 13.522 ( 0.436 0.000 -0.189) 0.475 13.669 ( 0.073 0.000 -0.054) 0.091 13.676 ( 0.269 0.000 -0.312) 0.412 13.909 ( -0.278 0.000 0.593) 0.655 13.942 ( 0.438 0.000 -0.506) 0.669 15.219 ( -0.192 0.000 0.414) 0.457 15.235 ( 0.217 0.000 -0.331) 0.396 17.278 ( 0.167 0.000 0.561) 0.586 17.332 ( 1.800 0.000 -2.119) 2.781 17.543 ( -2.343 0.000 5.244) 5.744 17.574 ( 0.803 0.000 0.016) 0.803 36.246 ( 0.002 0.000 -0.126) 0.126 36.248 ( 0.012 0.000 -0.095) 0.096 36.570 ( -0.154 0.000 0.318) 0.354 36.578 ( 0.082 0.000 -0.013) 0.083 ======================= Grid point 24 (12/28) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -7.589 0.000 -1.876) 7.818 0.545 ( -6.598 0.000 2.801) 7.168 0.610 ( 0.125 0.000 -7.632) 7.633 0.624 ( -5.728 0.000 -6.725) 8.834 0.722 ( -3.474 0.000 2.245) 4.136 0.734 ( 2.851 0.000 0.522) 2.899 0.793 ( 1.510 0.000 6.479) 6.652 0.797 ( 0.927 0.000 1.852) 2.071 0.815 ( 1.901 0.000 -2.819) 3.400 0.867 ( 1.785 0.000 -2.018) 2.694 0.923 ( -0.059 0.000 -0.568) 0.572 0.958 ( -0.104 0.000 0.420) 0.433 0.964 ( 1.748 0.000 0.200) 1.759 0.998 ( 1.048 0.000 0.120) 1.055 0.998 ( 0.260 0.000 0.821) 0.861 1.011 ( 0.950 0.000 -2.684) 2.847 1.079 ( 0.222 0.000 -0.500) 0.547 1.082 ( 0.539 0.000 -1.251) 1.362 1.210 ( -2.222 0.000 -2.862) 3.623 1.220 ( -1.196 0.000 -2.202) 2.506 1.253 ( -0.484 0.000 -0.166) 0.512 1.277 ( 0.247 0.000 -1.124) 1.150 1.300 ( 0.177 0.000 -0.642) 0.666 1.306 ( 0.682 0.000 -1.157) 1.342 1.334 ( -1.421 0.000 -0.369) 1.468 1.335 ( 0.078 0.000 0.098) 0.125 1.365 ( 0.277 0.000 -1.016) 1.053 1.369 ( -0.030 0.000 -1.442) 1.442 1.404 ( 0.228 0.000 -0.899) 0.927 1.406 ( -0.387 0.000 -1.828) 1.868 1.419 ( -0.574 0.000 -0.078) 0.579 1.426 ( -1.285 0.000 -0.161) 1.295 1.443 ( -0.375 0.000 0.207) 0.428 1.455 ( -0.708 0.000 -0.941) 1.178 1.464 ( -0.209 0.000 0.749) 0.777 1.477 ( -0.456 0.000 -2.680) 2.718 1.494 ( 0.642 0.000 0.429) 0.772 1.505 ( 0.262 0.000 -0.720) 0.766 1.535 ( 0.044 0.000 -1.466) 1.466 1.549 ( -0.706 0.000 0.354) 0.790 1.554 ( 1.338 0.000 0.223) 1.357 1.574 ( 0.625 0.000 0.103) 0.633 1.577 ( 1.006 0.000 -0.140) 1.015 1.582 ( -0.240 0.000 0.586) 0.633 1.584 ( -0.961 0.000 -0.210) 0.983 1.603 ( -0.536 0.000 -0.353) 0.641 1.650 ( -0.439 0.000 2.269) 2.312 1.673 ( 1.351 0.000 0.564) 1.464 1.679 ( 0.617 0.000 0.312) 0.692 1.713 ( 1.195 0.000 0.746) 1.409 1.738 ( 0.417 0.000 2.427) 2.462 1.742 ( -0.295 0.000 1.919) 1.942 1.755 ( 0.305 0.000 1.092) 1.134 1.768 ( -0.389 0.000 0.771) 0.863 1.773 ( 0.070 0.000 2.722) 2.723 1.808 ( 0.447 0.000 2.260) 2.304 1.825 ( 0.252 0.000 1.476) 1.497 1.836 ( 1.026 0.000 0.899) 1.365 1.850 ( 0.402 0.000 -1.211) 1.276 1.856 ( -0.825 0.000 -0.010) 0.825 1.887 ( -0.074 0.000 0.034) 0.081 1.900 ( -0.110 0.000 -0.558) 0.568 2.035 ( -0.398 0.000 1.643) 1.691 2.049 ( -0.241 0.000 0.712) 0.752 2.063 ( 0.282 0.000 1.323) 1.353 2.070 ( 0.298 0.000 0.873) 0.922 2.105 ( 0.007 0.000 -0.489) 0.489 2.116 ( -0.111 0.000 -0.724) 0.732 2.163 ( -0.268 0.000 0.458) 0.531 2.173 ( -0.198 0.000 0.507) 0.544 2.224 ( -0.329 0.000 0.973) 1.027 2.251 ( 0.588 0.000 1.141) 1.284 2.312 ( -0.274 0.000 0.532) 0.598 2.319 ( -0.062 0.000 -0.338) 0.344 2.437 ( -1.082 0.000 -1.871) 2.161 2.452 ( -0.042 0.000 -0.939) 0.940 2.459 ( 0.472 0.000 0.262) 0.540 2.495 ( 0.380 0.000 0.100) 0.393 2.497 ( -0.363 0.000 1.309) 1.359 2.520 ( 0.096 0.000 -0.412) 0.423 2.537 ( -0.102 0.000 -0.422) 0.434 2.545 ( -0.191 0.000 -0.200) 0.277 2.577 ( -0.180 0.000 0.739) 0.761 2.591 ( 0.367 0.000 -0.275) 0.459 2.596 ( 0.144 0.000 -0.031) 0.148 2.600 ( 0.231 0.000 -1.050) 1.075 2.629 ( 1.381 0.000 -0.759) 1.576 2.635 ( 0.746 0.000 -0.604) 0.960 2.729 ( -0.761 0.000 0.893) 1.173 2.733 ( -0.124 0.000 -0.320) 0.343 2.774 ( -0.087 0.000 1.040) 1.044 2.788 ( 0.714 0.000 -2.097) 2.215 2.841 ( 0.650 0.000 2.710) 2.787 2.844 ( 0.098 0.000 -0.345) 0.359 2.877 ( -0.285 0.000 -0.807) 0.856 2.886 ( 0.191 0.000 0.838) 0.859 2.919 ( -1.349 0.000 1.147) 1.770 2.919 ( 0.848 0.000 1.033) 1.337 2.974 ( 1.199 0.000 1.549) 1.958 2.994 ( 0.531 0.000 -1.326) 1.428 3.013 ( 0.848 0.000 -1.372) 1.613 3.063 ( -1.005 0.000 1.415) 1.735 3.081 ( 0.072 0.000 -2.531) 2.532 3.119 ( -0.068 0.000 -0.267) 0.276 3.187 ( 0.301 0.000 -0.042) 0.304 3.188 ( -0.362 0.000 1.199) 1.252 3.217 ( 0.166 0.000 0.561) 0.585 3.266 ( 0.643 0.000 -3.801) 3.855 3.279 ( -0.558 0.000 0.809) 0.983 3.290 ( 0.428 0.000 -1.996) 2.042 3.302 ( -1.891 0.000 -1.097) 2.186 3.364 ( 1.115 0.000 -0.363) 1.173 3.366 ( -0.200 0.000 -0.076) 0.214 3.393 ( -0.087 0.000 0.348) 0.359 3.418 ( -0.357 0.000 0.489) 0.606 3.420 ( 0.221 0.000 -0.097) 0.241 3.451 ( -0.613 0.000 -0.089) 0.620 3.456 ( 0.808 0.000 -1.858) 2.026 3.477 ( -1.443 0.000 1.469) 2.059 3.513 ( -0.005 0.000 -0.387) 0.387 3.537 ( 0.207 0.000 -0.747) 0.775 3.538 ( 0.213 0.000 -1.426) 1.442 3.580 ( -0.631 0.000 1.180) 1.338 3.580 ( 0.012 0.000 0.343) 0.343 3.607 ( -0.040 0.000 -0.410) 0.412 3.613 ( 0.002 0.000 0.244) 0.244 3.632 ( -0.110 0.000 1.786) 1.789 3.646 ( 0.214 0.000 -0.527) 0.569 3.653 ( -0.477 0.000 0.096) 0.486 3.660 ( 0.600 0.000 -0.542) 0.809 3.697 ( -0.683 0.000 -0.135) 0.696 3.700 ( 0.636 0.000 -0.662) 0.918 3.738 ( -0.518 0.000 1.157) 1.268 3.776 ( -0.584 0.000 0.580) 0.823 3.795 ( 0.206 0.000 1.077) 1.097 3.812 ( -0.050 0.000 -1.642) 1.642 3.890 ( -0.345 0.000 1.273) 1.319 3.899 ( -1.403 0.000 0.606) 1.528 3.975 ( -0.272 0.000 -2.173) 2.190 4.007 ( -0.146 0.000 -2.168) 2.173 4.082 ( -0.126 0.000 2.122) 2.125 4.113 ( 0.467 0.000 2.081) 2.133 4.238 ( -0.553 0.000 2.623) 2.681 4.291 ( 0.252 0.000 -0.190) 0.316 4.360 ( -0.207 0.000 1.272) 1.289 4.398 ( 1.302 0.000 -1.395) 1.908 4.413 ( 0.418 0.000 -0.856) 0.953 4.431 ( -0.757 0.000 -0.590) 0.960 4.492 ( 0.174 0.000 2.006) 2.014 4.493 ( 0.082 0.000 1.533) 1.535 4.503 ( -0.224 0.000 -0.921) 0.948 4.520 ( 0.244 0.000 -2.086) 2.101 4.636 ( -0.118 0.000 0.243) 0.270 4.640 ( 0.294 0.000 -0.403) 0.499 4.641 ( 0.448 0.000 -0.656) 0.795 4.682 ( -0.219 0.000 0.921) 0.947 4.711 ( 0.664 0.000 -2.201) 2.299 4.728 ( 1.332 0.000 0.020) 1.333 4.728 ( -0.464 0.000 -0.219) 0.513 4.752 ( -0.202 0.000 0.252) 0.323 4.795 ( 0.201 0.000 0.266) 0.333 4.827 ( -0.382 0.000 0.067) 0.388 4.844 ( -0.674 0.000 1.191) 1.369 4.872 ( 0.093 0.000 0.142) 0.170 5.069 ( 0.856 0.000 1.896) 2.080 5.102 ( -0.358 0.000 0.995) 1.057 5.392 ( -1.056 0.000 -1.440) 1.785 5.414 ( 0.451 0.000 -1.998) 2.048 11.411 ( 0.775 0.000 2.295) 2.422 11.431 ( 0.264 0.000 1.445) 1.469 11.785 ( -1.545 0.000 -3.738) 4.044 11.795 ( -2.894 0.000 -2.432) 3.780 12.023 ( -0.911 0.000 -0.143) 0.922 12.165 ( 3.159 0.000 -4.573) 5.558 12.469 ( -0.592 0.000 0.855) 1.040 12.471 ( 0.202 0.000 0.746) 0.773 13.515 ( -0.110 0.000 0.278) 0.299 13.526 ( 0.193 0.000 -0.111) 0.223 13.668 ( -0.083 0.000 -0.179) 0.197 13.674 ( 0.002 0.000 -0.488) 0.488 13.910 ( -0.319 0.000 0.649) 0.723 13.942 ( 0.252 0.000 -0.565) 0.618 15.219 ( -0.273 0.000 0.382) 0.469 15.236 ( 0.288 0.000 -0.235) 0.372 17.283 ( -0.284 0.000 0.564) 0.631 17.339 ( 1.537 0.000 -2.067) 2.576 17.541 ( -3.747 0.000 4.255) 5.669 17.604 ( 1.993 0.000 1.679) 2.606 36.244 ( -0.037 0.000 -0.207) 0.210 36.245 ( -0.099 0.000 -0.246) 0.265 36.572 ( -0.109 0.000 0.420) 0.434 36.581 ( 0.151 0.000 0.097) 0.180 ======================= Grid point 25 (13/28) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -10.463 0.000 -6.291) 12.209 0.439 ( -11.758 0.000 6.639) 13.503 0.488 ( -11.023 0.000 4.683) 11.977 0.557 ( 3.080 0.000 -5.055) 5.919 0.673 ( -2.913 0.000 0.614) 2.977 0.769 ( 0.717 0.000 -3.153) 3.233 0.807 ( 2.161 0.000 3.944) 4.497 0.861 ( 1.864 0.000 0.237) 1.879 0.883 ( 2.885 0.000 3.830) 4.796 0.886 ( -0.462 0.000 -1.098) 1.192 0.894 ( -0.556 0.000 -2.196) 2.265 0.963 ( 1.413 0.000 -6.366) 6.520 0.964 ( -0.215 0.000 2.020) 2.032 1.000 ( 0.325 0.000 -0.519) 0.612 1.023 ( 0.608 0.000 1.152) 1.303 1.036 ( 1.004 0.000 1.411) 1.732 1.069 ( 0.334 0.000 -1.242) 1.286 1.078 ( 0.711 0.000 -1.176) 1.375 1.163 ( -1.257 0.000 -0.264) 1.284 1.192 ( -0.992 0.000 0.398) 1.069 1.245 ( -0.517 0.000 0.169) 0.544 1.273 ( 0.655 0.000 -0.885) 1.101 1.285 ( -0.829 0.000 -0.971) 1.276 1.302 ( 0.184 0.000 -1.454) 1.466 1.318 ( -1.180 0.000 -0.817) 1.435 1.318 ( 0.820 0.000 -1.100) 1.372 1.347 ( 0.701 0.000 -2.071) 2.187 1.379 ( 1.466 0.000 0.835) 1.687 1.399 ( -0.336 0.000 -0.571) 0.662 1.407 ( 0.447 0.000 -0.062) 0.452 1.412 ( 1.988 0.000 -0.579) 2.071 1.433 ( 0.414 0.000 2.147) 2.186 1.447 ( 0.012 0.000 0.565) 0.565 1.459 ( -0.019 0.000 0.773) 0.773 1.461 ( 1.238 0.000 -0.525) 1.345 1.468 ( 0.116 0.000 0.270) 0.293 1.498 ( -0.130 0.000 -1.317) 1.323 1.513 ( 1.000 0.000 -0.100) 1.005 1.522 ( -0.633 0.000 -0.191) 0.661 1.531 ( -0.162 0.000 -1.017) 1.030 1.560 ( -0.455 0.000 -0.431) 0.627 1.573 ( 1.005 0.000 -0.232) 1.031 1.580 ( -0.069 0.000 -0.629) 0.633 1.584 ( -0.522 0.000 0.335) 0.620 1.597 ( 1.657 0.000 -0.161) 1.665 1.600 ( 0.215 0.000 0.920) 0.945 1.673 ( 0.199 0.000 2.497) 2.505 1.689 ( 0.335 0.000 -0.133) 0.361 1.689 ( 0.387 0.000 -0.147) 0.414 1.735 ( 0.501 0.000 0.997) 1.116 1.745 ( 0.198 0.000 -0.667) 0.696 1.749 ( -0.524 0.000 0.838) 0.988 1.765 ( -0.411 0.000 -0.123) 0.429 1.768 ( 0.512 0.000 -0.385) 0.641 1.789 ( -0.589 0.000 1.288) 1.416 1.826 ( -0.849 0.000 -0.621) 1.052 1.829 ( 0.864 0.000 0.001) 0.864 1.843 ( 0.636 0.000 -0.135) 0.650 1.861 ( -0.157 0.000 2.427) 2.432 1.869 ( 0.322 0.000 1.253) 1.294 1.889 ( 0.160 0.000 -0.123) 0.202 1.899 ( 0.126 0.000 0.127) 0.179 2.045 ( -0.262 0.000 1.337) 1.362 2.056 ( 0.091 0.000 0.920) 0.924 2.079 ( 0.123 0.000 0.694) 0.705 2.085 ( 0.142 0.000 0.809) 0.821 2.098 ( -0.189 0.000 -0.485) 0.521 2.106 ( -0.302 0.000 -0.748) 0.807 2.164 ( -0.512 0.000 0.930) 1.061 2.174 ( -0.284 0.000 0.570) 0.637 2.217 ( -1.180 0.000 0.667) 1.355 2.255 ( -0.394 0.000 -0.327) 0.512 2.314 ( -0.083 0.000 0.417) 0.425 2.320 ( 0.172 0.000 0.087) 0.192 2.410 ( -0.704 0.000 -0.136) 0.717 2.447 ( 0.398 0.000 -0.470) 0.616 2.466 ( 0.183 0.000 0.329) 0.376 2.495 ( 0.311 0.000 -0.914) 0.966 2.504 ( -0.497 0.000 1.256) 1.351 2.519 ( -0.153 0.000 0.415) 0.443 2.528 ( -0.067 0.000 -1.034) 1.036 2.538 ( -0.164 0.000 -0.597) 0.619 2.584 ( -0.086 0.000 0.998) 1.002 2.591 ( 0.299 0.000 -0.314) 0.434 2.596 ( 0.483 0.000 -0.724) 0.871 2.602 ( 0.255 0.000 -0.115) 0.280 2.637 ( 0.224 0.000 -0.782) 0.814 2.637 ( 0.783 0.000 -1.290) 1.509 2.725 ( -0.760 0.000 0.995) 1.252 2.727 ( 0.158 0.000 -0.880) 0.894 2.785 ( -0.057 0.000 1.069) 1.070 2.790 ( 1.385 0.000 -1.042) 1.733 2.839 ( 0.024 0.000 -0.426) 0.427 2.853 ( -0.552 0.000 -1.567) 1.661 2.887 ( 0.811 0.000 2.920) 3.031 2.895 ( -0.127 0.000 0.262) 0.291 2.907 ( -1.302 0.000 0.959) 1.617 2.942 ( 0.423 0.000 0.674) 0.796 2.990 ( 0.669 0.000 -1.428) 1.577 3.001 ( 0.183 0.000 -0.372) 0.415 3.013 ( 1.120 0.000 -0.427) 1.199 3.045 ( -0.873 0.000 -3.042) 3.164 3.076 ( -0.087 0.000 2.799) 2.801 3.116 ( -0.030 0.000 -0.134) 0.137 3.189 ( -0.537 0.000 0.147) 0.557 3.191 ( 0.100 0.000 0.189) 0.214 3.214 ( 0.186 0.000 -1.347) 1.360 3.244 ( -0.045 0.000 -1.404) 1.404 3.267 ( -0.153 0.000 -0.493) 0.516 3.284 ( -1.579 0.000 2.040) 2.580 3.285 ( 1.453 0.000 -2.015) 2.484 3.366 ( 0.301 0.000 -1.932) 1.956 3.366 ( -0.143 0.000 0.229) 0.270 3.398 ( 0.008 0.000 1.415) 1.416 3.416 ( -0.492 0.000 -0.956) 1.075 3.421 ( -0.079 0.000 0.517) 0.523 3.436 ( -0.282 0.000 0.207) 0.350 3.449 ( 0.754 0.000 -1.724) 1.881 3.473 ( -1.557 0.000 2.525) 2.967 3.509 ( -0.008 0.000 -0.061) 0.061 3.537 ( 0.824 0.000 -0.795) 1.145 3.539 ( 0.495 0.000 -0.409) 0.642 3.580 ( -0.540 0.000 0.767) 0.938 3.581 ( -0.336 0.000 0.382) 0.509 3.611 ( 0.526 0.000 0.477) 0.710 3.619 ( 0.454 0.000 -0.219) 0.504 3.637 ( 0.046 0.000 0.107) 0.116 3.641 ( -0.464 0.000 -0.601) 0.759 3.656 ( 0.693 0.000 0.845) 1.093 3.660 ( 0.463 0.000 -0.933) 1.041 3.690 ( -0.255 0.000 0.052) 0.260 3.712 ( 1.151 0.000 -0.282) 1.185 3.738 ( -0.787 0.000 1.135) 1.381 3.771 ( -1.201 0.000 1.088) 1.621 3.801 ( 0.750 0.000 -0.994) 1.245 3.814 ( 0.579 0.000 1.225) 1.355 3.874 ( -1.999 0.000 0.269) 2.017 3.887 ( -1.571 0.000 1.672) 2.295 3.964 ( 0.687 0.000 -0.992) 1.206 3.990 ( 0.268 0.000 -1.517) 1.541 4.098 ( -0.317 0.000 1.926) 1.952 4.134 ( 0.570 0.000 0.484) 0.748 4.247 ( -1.103 0.000 1.905) 2.201 4.291 ( -0.006 0.000 -0.077) 0.077 4.375 ( 0.432 0.000 0.390) 0.582 4.397 ( -0.826 0.000 -1.105) 1.380 4.414 ( 0.580 0.000 -0.629) 0.856 4.420 ( 1.113 0.000 -0.668) 1.298 4.479 ( -1.241 0.000 -0.152) 1.250 4.503 ( 0.029 0.000 -0.951) 0.952 4.520 ( 0.732 0.000 0.977) 1.221 4.523 ( 1.507 0.000 0.573) 1.612 4.634 ( -0.114 0.000 -0.182) 0.215 4.641 ( 0.490 0.000 -0.201) 0.530 4.646 ( 0.180 0.000 0.052) 0.188 4.675 ( -0.158 0.000 -2.652) 2.657 4.693 ( -1.042 0.000 0.134) 1.051 4.733 ( 0.031 0.000 1.569) 1.570 4.735 ( -0.153 0.000 -0.776) 0.791 4.760 ( 1.401 0.000 -0.486) 1.483 4.805 ( 0.359 0.000 0.578) 0.680 4.816 ( -0.641 0.000 -0.441) 0.778 4.847 ( -0.437 0.000 1.564) 1.624 4.874 ( 0.732 0.000 -1.163) 1.374 5.101 ( -0.816 0.000 0.722) 1.089 5.103 ( 0.712 0.000 1.659) 1.805 5.353 ( -1.890 0.000 -1.115) 2.194 5.403 ( 0.395 0.000 -1.312) 1.371 11.441 ( -0.551 0.000 0.713) 0.901 11.446 ( 0.504 0.000 1.961) 2.025 11.732 ( -0.685 0.000 -2.284) 2.385 11.737 ( -1.076 0.000 -1.764) 2.066 11.997 ( -2.690 0.000 0.876) 2.829 12.178 ( 3.317 0.000 -4.413) 5.520 12.468 ( -0.267 0.000 0.318) 0.415 12.488 ( 0.962 0.000 0.548) 1.108 13.513 ( -0.398 0.000 0.246) 0.468 13.526 ( -0.093 0.000 -0.160) 0.185 13.664 ( -0.176 0.000 -0.072) 0.190 13.668 ( -0.175 0.000 -0.344) 0.386 13.911 ( -0.406 0.000 0.660) 0.775 13.939 ( 0.130 0.000 -0.563) 0.577 15.218 ( -0.313 0.000 0.342) 0.464 15.238 ( 0.293 0.000 -0.248) 0.384 17.279 ( -0.776 0.000 0.471) 0.908 17.339 ( 1.162 0.000 -2.247) 2.529 17.516 ( -3.733 0.000 3.305) 4.986 17.675 ( 3.881 0.000 3.592) 5.288 36.241 ( -0.107 0.000 -0.144) 0.179 36.242 ( -0.044 0.000 -0.068) 0.080 36.574 ( -0.120 0.000 0.343) 0.364 36.584 ( 0.141 0.000 -0.010) 0.142 ======================= Grid point 26 (14/28) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( -3.855 0.000 13.607) 14.143 0.339 ( -11.228 0.000 12.321) 16.669 0.393 ( -10.359 0.000 17.397) 20.248 0.614 ( 3.427 0.000 4.135) 5.371 0.652 ( -1.387 0.000 1.994) 2.429 0.747 ( 0.246 0.000 -5.411) 5.417 0.806 ( -1.196 0.000 -4.117) 4.287 0.825 ( -1.513 0.000 -3.579) 3.886 0.889 ( 0.528 0.000 0.435) 0.684 0.912 ( 0.550 0.000 2.580) 2.638 0.924 ( 0.773 0.000 -3.331) 3.419 0.960 ( 3.539 0.000 -0.772) 3.622 0.982 ( 0.259 0.000 0.180) 0.315 0.986 ( -0.194 0.000 -0.516) 0.552 1.005 ( 0.287 0.000 -2.655) 2.671 1.041 ( -0.319 0.000 -1.699) 1.728 1.077 ( 0.627 0.000 -0.791) 1.010 1.082 ( 0.800 0.000 -0.817) 1.143 1.168 ( -0.159 0.000 3.033) 3.037 1.192 ( -1.154 0.000 2.381) 2.646 1.246 ( 0.093 0.000 1.000) 1.004 1.274 ( 0.014 0.000 -0.102) 0.102 1.277 ( 0.593 0.000 -0.564) 0.819 1.296 ( 0.887 0.000 1.641) 1.865 1.323 ( 0.573 0.000 -0.096) 0.581 1.324 ( 0.043 0.000 0.563) 0.565 1.347 ( 1.125 0.000 0.642) 1.296 1.393 ( -0.129 0.000 -0.723) 0.735 1.416 ( 0.546 0.000 2.333) 2.396 1.425 ( 0.146 0.000 -1.065) 1.075 1.429 ( 1.955 0.000 0.752) 2.095 1.451 ( -0.470 0.000 0.359) 0.591 1.458 ( 1.209 0.000 0.328) 1.253 1.465 ( -0.125 0.000 1.690) 1.695 1.480 ( -0.233 0.000 0.815) 0.847 1.489 ( 1.751 0.000 -0.507) 1.823 1.494 ( 1.636 0.000 0.027) 1.636 1.504 ( -0.218 0.000 -1.171) 1.191 1.524 ( 0.341 0.000 -0.410) 0.533 1.536 ( 0.999 0.000 0.282) 1.038 1.555 ( -0.361 0.000 -0.575) 0.679 1.568 ( -0.795 0.000 -0.872) 1.180 1.570 ( -0.164 0.000 0.153) 0.224 1.590 ( 1.030 0.000 -0.318) 1.078 1.607 ( -0.697 0.000 -0.138) 0.711 1.620 ( 1.055 0.000 -0.070) 1.057 1.679 ( -0.300 0.000 -2.222) 2.243 1.680 ( -0.222 0.000 -1.367) 1.384 1.701 ( 0.725 0.000 0.607) 0.945 1.728 ( -0.345 0.000 -2.379) 2.403 1.749 ( -0.357 0.000 0.113) 0.374 1.749 ( -0.114 0.000 -0.109) 0.158 1.758 ( 0.040 0.000 0.601) 0.603 1.773 ( 0.220 0.000 1.101) 1.123 1.788 ( -0.762 0.000 1.097) 1.336 1.819 ( -0.052 0.000 0.725) 0.727 1.833 ( 0.387 0.000 -0.818) 0.905 1.855 ( 0.112 0.000 0.323) 0.342 1.859 ( -0.851 0.000 -1.933) 2.113 1.878 ( 0.523 0.000 -1.370) 1.466 1.893 ( 0.276 0.000 0.471) 0.546 1.894 ( -0.435 0.000 -0.166) 0.465 2.049 ( -0.461 0.000 0.426) 0.627 2.064 ( -0.174 0.000 0.664) 0.687 2.081 ( 0.194 0.000 -0.061) 0.204 2.084 ( -0.128 0.000 -0.765) 0.775 2.092 ( -0.134 0.000 -0.203) 0.244 2.093 ( -0.419 0.000 -0.778) 0.884 2.162 ( -0.635 0.000 0.599) 0.873 2.170 ( -0.463 0.000 -0.322) 0.564 2.212 ( -0.813 0.000 1.086) 1.356 2.239 ( -0.860 0.000 -0.793) 1.170 2.317 ( 0.012 0.000 0.394) 0.394 2.323 ( 0.149 0.000 0.059) 0.160 2.412 ( -0.289 0.000 1.325) 1.356 2.450 ( 0.334 0.000 -0.451) 0.562 2.473 ( 0.258 0.000 0.289) 0.388 2.490 ( 0.370 0.000 -1.284) 1.336 2.503 ( -0.639 0.000 0.303) 0.707 2.522 ( -0.231 0.000 0.773) 0.806 2.524 ( 0.395 0.000 0.847) 0.935 2.530 ( 0.045 0.000 -0.746) 0.747 2.588 ( -0.374 0.000 0.248) 0.449 2.595 ( 0.296 0.000 -0.095) 0.311 2.600 ( 0.602 0.000 -0.374) 0.709 2.601 ( 0.253 0.000 -0.555) 0.610 2.632 ( 0.472 0.000 -1.277) 1.361 2.640 ( 1.439 0.000 0.120) 1.444 2.728 ( -0.544 0.000 1.719) 1.803 2.729 ( 0.935 0.000 0.206) 0.957 2.786 ( -0.471 0.000 -0.184) 0.506 2.804 ( 1.065 0.000 -0.746) 1.300 2.834 ( 0.204 0.000 -1.166) 1.183 2.840 ( -0.254 0.000 0.824) 0.863 2.884 ( -0.458 0.000 -1.312) 1.390 2.901 ( -0.347 0.000 0.516) 0.622 2.918 ( 0.630 0.000 0.415) 0.754 2.938 ( -1.164 0.000 -0.157) 1.175 2.982 ( -0.321 0.000 -2.121) 2.145 2.990 ( 0.975 0.000 -1.066) 1.445 3.016 ( 0.407 0.000 -0.778) 0.878 3.033 ( 0.083 0.000 1.566) 1.568 3.098 ( -0.306 0.000 1.842) 1.867 3.118 ( 0.198 0.000 0.249) 0.318 3.186 ( 0.270 0.000 0.172) 0.320 3.193 ( -0.117 0.000 -0.355) 0.374 3.204 ( 0.244 0.000 -1.587) 1.605 3.244 ( 0.033 0.000 1.903) 1.904 3.263 ( -0.587 0.000 0.493) 0.767 3.282 ( -1.015 0.000 1.732) 2.008 3.294 ( 1.795 0.000 -2.007) 2.692 3.352 ( 0.308 0.000 -1.277) 1.314 3.360 ( -0.441 0.000 -0.386) 0.586 3.405 ( -0.088 0.000 0.126) 0.154 3.412 ( -0.218 0.000 0.986) 1.010 3.417 ( -0.372 0.000 -0.242) 0.444 3.444 ( 0.006 0.000 1.206) 1.206 3.457 ( 1.650 0.000 -0.463) 1.714 3.474 ( -1.342 0.000 2.440) 2.785 3.512 ( 0.176 0.000 0.215) 0.278 3.542 ( 0.296 0.000 -0.248) 0.386 3.544 ( 0.895 0.000 -0.682) 1.126 3.579 ( -0.397 0.000 0.386) 0.554 3.583 ( -0.225 0.000 1.281) 1.301 3.609 ( 0.139 0.000 -1.832) 1.837 3.615 ( -0.373 0.000 -0.581) 0.691 3.640 ( 0.317 0.000 0.822) 0.881 3.652 ( -0.099 0.000 -1.205) 1.209 3.660 ( 0.626 0.000 -0.904) 1.099 3.674 ( 1.019 0.000 1.525) 1.834 3.689 ( 0.161 0.000 0.239) 0.288 3.725 ( 0.739 0.000 -0.493) 0.889 3.734 ( -0.602 0.000 0.141) 0.619 3.766 ( -0.925 0.000 1.480) 1.745 3.805 ( 0.648 0.000 -2.128) 2.225 3.827 ( -0.866 0.000 0.954) 1.289 3.853 ( -0.580 0.000 0.762) 0.957 3.887 ( -0.917 0.000 1.972) 2.175 3.988 ( 0.533 0.000 -0.183) 0.563 4.010 ( 5.270 0.000 5.219) 7.416 4.108 ( -0.608 0.000 1.693) 1.799 4.137 ( 0.261 0.000 -1.248) 1.275 4.240 ( -1.611 0.000 0.542) 1.699 4.289 ( 0.089 0.000 -0.757) 0.763 4.362 ( -0.579 0.000 -2.330) 2.401 4.374 ( -0.674 0.000 0.007) 0.674 4.418 ( -0.459 0.000 0.972) 1.075 4.435 ( 1.024 0.000 -0.455) 1.121 4.467 ( -0.473 0.000 0.604) 0.767 4.492 ( 0.262 0.000 -1.650) 1.670 4.542 ( 0.594 0.000 1.146) 1.291 4.549 ( 1.421 0.000 -0.079) 1.423 4.632 ( 0.079 0.000 -0.219) 0.233 4.638 ( -0.339 0.000 -2.185) 2.211 4.647 ( 0.056 0.000 -0.005) 0.057 4.648 ( 0.130 0.000 0.478) 0.495 4.680 ( -1.052 0.000 0.226) 1.076 4.720 ( -0.207 0.000 -1.231) 1.249 4.751 ( -0.172 0.000 2.004) 2.011 4.776 ( 1.577 0.000 -1.317) 2.055 4.801 ( -0.203 0.000 -1.060) 1.079 4.813 ( -0.009 0.000 0.447) 0.448 4.854 ( -0.947 0.000 1.277) 1.590 4.858 ( -1.600 0.000 -1.343) 2.089 5.091 ( -0.216 0.000 -1.069) 1.090 5.115 ( -0.207 0.000 -0.181) 0.275 5.331 ( -0.780 0.000 2.015) 2.160 5.404 ( 0.522 0.000 -0.040) 0.524 11.426 ( -0.711 0.000 -1.205) 1.399 11.448 ( -0.693 0.000 -1.297) 1.470 11.743 ( 0.586 0.000 3.406) 3.456 11.798 ( 7.817 0.000 12.169) 14.463 11.970 ( -2.121 0.000 2.483) 3.265 12.153 ( 0.057 0.000 -7.805) 7.805 12.473 ( 0.219 0.000 1.134) 1.155 12.505 ( 0.647 0.000 0.139) 0.662 13.509 ( -0.388 0.000 0.148) 0.415 13.521 ( -0.142 0.000 -0.297) 0.330 13.662 ( -0.131 0.000 0.144) 0.194 13.664 ( -0.061 0.000 0.064) 0.088 13.910 ( -0.465 0.000 0.586) 0.748 13.936 ( 0.195 0.000 -0.502) 0.539 15.216 ( -0.272 0.000 0.339) 0.434 15.240 ( 0.229 0.000 -0.374) 0.439 17.271 ( -0.746 0.000 0.493) 0.894 17.332 ( 1.010 0.000 -2.514) 2.709 17.495 ( -2.707 0.000 3.210) 4.199 17.767 ( 3.495 0.000 -3.004) 4.609 36.240 ( -0.013 0.000 0.098) 0.099 36.242 ( -0.018 0.000 0.150) 0.151 36.575 ( 0.012 0.000 0.247) 0.247 36.584 ( 0.067 0.000 -0.227) 0.237 ======================= Grid point 27 (15/28) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.450 6.910 8.165) 10.706 0.407 ( -2.097 5.739 9.565) 11.350 0.538 ( -0.585 -5.059 4.167) 6.580 0.633 ( 1.723 -9.044 1.903) 9.401 0.694 ( -1.262 7.065 4.282) 8.357 0.739 ( 1.643 4.538 3.967) 6.248 0.786 ( -1.663 4.091 0.765) 4.481 0.801 ( 1.262 2.198 -0.821) 2.664 0.847 ( 0.422 -0.444 -5.812) 5.845 0.877 ( -0.527 -1.029 -4.570) 4.714 0.897 ( 0.775 -4.129 -0.100) 4.202 0.942 ( 0.466 -4.271 3.907) 5.807 0.972 ( -1.259 2.225 -0.947) 2.726 1.003 ( 0.308 -0.638 1.160) 1.359 1.019 ( -0.651 -0.652 -1.334) 1.621 1.024 ( 1.234 -0.949 0.097) 1.559 1.072 ( 0.755 -0.301 -0.709) 1.079 1.076 ( 0.109 -0.346 -1.465) 1.510 1.198 ( 0.311 -0.241 3.551) 3.573 1.203 ( 0.222 -0.475 2.684) 2.735 1.263 ( 0.374 -0.128 -0.417) 0.574 1.266 ( 0.544 -0.214 0.503) 0.771 1.312 ( 0.243 2.183 0.715) 2.310 1.336 ( 0.041 0.360 0.252) 0.441 1.349 ( 0.379 1.675 2.538) 3.064 1.363 ( 0.575 0.986 2.147) 2.431 1.374 ( 0.664 -0.828 1.671) 1.980 1.386 ( 0.192 -0.482 1.661) 1.740 1.408 ( -0.561 0.229 -0.132) 0.620 1.423 ( -0.547 -1.233 2.246) 2.620 1.431 ( -0.356 -1.656 -0.444) 1.751 1.440 ( 0.135 -1.075 0.674) 1.276 1.450 ( -0.527 -0.721 0.229) 0.921 1.464 ( -0.609 -1.270 -0.616) 1.537 1.491 ( -0.639 0.542 -0.187) 0.858 1.494 ( -0.650 -0.011 0.037) 0.652 1.509 ( -0.009 0.419 -0.182) 0.457 1.524 ( 0.210 -0.684 -0.342) 0.793 1.535 ( -0.234 0.915 -0.433) 1.039 1.541 ( 0.726 0.997 0.489) 1.327 1.545 ( 1.102 1.591 -1.127) 2.240 1.566 ( -0.207 0.234 0.088) 0.325 1.574 ( -0.155 0.026 -0.341) 0.376 1.583 ( 0.276 0.565 0.115) 0.639 1.604 ( 0.619 -0.358 -1.170) 1.371 1.616 ( 0.409 -0.887 0.443) 1.072 1.656 ( -0.605 0.347 -2.104) 2.217 1.659 ( -0.497 -0.022 -1.819) 1.886 1.698 ( -0.460 0.082 -1.320) 1.400 1.708 ( -0.088 -0.399 -0.432) 0.595 1.718 ( -0.835 -0.141 -1.407) 1.642 1.729 ( -0.267 -0.558 -0.847) 1.049 1.768 ( -0.057 0.254 -0.507) 0.570 1.779 ( -0.246 -0.532 -0.875) 1.053 1.798 ( -1.036 0.306 -1.785) 2.087 1.806 ( -0.808 -0.302 -1.820) 2.014 1.826 ( -0.144 0.559 -0.436) 0.723 1.833 ( -0.137 0.198 -0.625) 0.669 1.843 ( -0.078 -0.186 -0.674) 0.704 1.846 ( -0.024 -0.955 0.634) 1.146 1.903 ( 0.299 0.914 -0.035) 0.963 1.913 ( 0.297 0.366 -0.526) 0.706 2.042 ( -0.443 0.604 -0.534) 0.920 2.053 ( -0.015 -0.335 -0.999) 1.054 2.069 ( -0.705 -0.553 -0.331) 0.955 2.071 ( -0.564 -0.888 -0.624) 1.223 2.091 ( 0.404 0.350 0.409) 0.674 2.094 ( 0.489 0.100 0.421) 0.653 2.156 ( 0.016 0.251 -0.502) 0.561 2.164 ( -0.039 -0.201 -0.353) 0.408 2.204 ( -0.329 0.528 -0.871) 1.070 2.214 ( -0.344 -0.302 -1.707) 1.767 2.327 ( -0.210 0.401 0.737) 0.865 2.331 ( -0.003 0.100 0.509) 0.519 2.428 ( -0.164 1.007 1.043) 1.459 2.444 ( -0.015 -0.584 0.513) 0.778 2.480 ( -0.275 0.786 0.418) 0.931 2.493 ( -0.227 0.077 -1.022) 1.049 2.495 ( -0.111 0.452 -0.569) 0.735 2.516 ( 0.089 -1.135 0.064) 1.141 2.531 ( 0.459 0.970 -0.533) 1.198 2.547 ( 0.527 -0.301 0.099) 0.615 2.580 ( 0.136 -0.092 0.055) 0.173 2.587 ( -0.073 -0.544 -0.279) 0.616 2.598 ( 0.150 0.003 -0.137) 0.203 2.612 ( 0.605 -1.098 -0.540) 1.365 2.623 ( -0.116 0.934 -0.175) 0.958 2.656 ( -0.365 -1.515 -1.169) 1.948 2.728 ( 0.211 1.912 -0.153) 1.930 2.765 ( 0.047 1.316 -0.260) 1.342 2.781 ( 0.131 -1.304 0.591) 1.438 2.801 ( 0.723 0.252 0.381) 0.855 2.811 ( -0.070 -1.869 -0.069) 1.871 2.820 ( 0.859 -1.213 0.141) 1.493 2.892 ( 0.037 1.155 -0.176) 1.169 2.904 ( -0.451 0.411 -0.354) 0.706 2.906 ( -0.434 -0.019 -0.711) 0.833 2.936 ( 0.021 -0.816 -1.120) 1.386 2.954 ( -0.696 1.167 -0.150) 1.367 2.985 ( 0.462 -1.199 -0.721) 1.474 3.039 ( 0.563 0.597 1.222) 1.472 3.060 ( 0.246 -0.750 1.076) 1.335 3.088 ( 0.180 0.993 0.158) 1.021 3.115 ( 0.384 -0.888 0.055) 0.969 3.179 ( -0.184 -0.147 -1.009) 1.036 3.184 ( 0.180 -0.680 -1.233) 1.420 3.226 ( -0.535 2.143 1.352) 2.590 3.264 ( 0.321 -0.707 0.820) 1.130 3.271 ( -0.206 -0.329 1.312) 1.369 3.288 ( 0.423 -0.309 2.294) 2.353 3.296 ( -0.041 0.266 0.710) 0.759 3.317 ( 0.763 -0.734 -1.038) 1.482 3.373 ( -0.005 0.244 0.038) 0.247 3.386 ( 0.663 -0.954 -0.940) 1.494 3.425 ( 0.316 0.809 0.045) 0.870 3.447 ( 0.177 -0.275 -0.580) 0.666 3.467 ( 0.266 0.342 0.469) 0.638 3.477 ( -0.886 1.795 0.949) 2.215 3.477 ( -0.065 1.572 0.906) 1.816 3.524 ( 0.128 -0.515 0.559) 0.771 3.531 ( 0.204 -0.232 -0.723) 0.786 3.542 ( 0.446 -0.516 -0.322) 0.754 3.570 ( -0.054 -1.212 -0.442) 1.291 3.578 ( 0.014 -1.385 0.718) 1.560 3.594 ( -0.408 0.397 -0.782) 0.967 3.601 ( -0.375 -0.438 -0.334) 0.667 3.632 ( -0.904 1.808 1.530) 2.534 3.655 ( -0.105 0.024 0.111) 0.155 3.664 ( 0.025 0.749 0.624) 0.975 3.686 ( -0.216 -0.387 -0.060) 0.447 3.720 ( -0.288 1.181 0.358) 1.267 3.736 ( -0.699 1.885 -0.589) 2.095 3.750 ( -0.007 -0.191 0.021) 0.192 3.768 ( 0.243 -0.922 -0.367) 1.022 3.802 ( 0.165 0.876 -1.735) 1.950 3.807 ( -0.785 -0.328 -0.215) 0.877 3.851 ( 0.161 0.099 1.575) 1.586 3.876 ( -0.497 -1.074 1.088) 1.608 3.998 ( 0.554 -0.134 1.796) 1.884 4.028 ( 0.721 -3.598 1.261) 3.881 4.105 ( -1.036 0.786 -1.428) 1.931 4.124 ( -0.810 -0.815 -2.374) 2.638 4.228 ( -0.646 1.365 0.188) 1.522 4.261 ( -0.389 -1.607 -0.495) 1.726 4.376 ( 0.882 0.333 0.989) 1.366 4.385 ( 0.781 -0.397 0.403) 0.964 4.434 ( -0.468 0.879 -0.422) 1.082 4.442 ( -0.217 -0.241 -0.074) 0.333 4.456 ( 0.209 0.614 0.260) 0.698 4.474 ( 0.117 -0.618 -0.466) 0.782 4.564 ( 0.161 0.626 -0.669) 0.930 4.574 ( 0.598 -0.090 -0.774) 0.982 4.635 ( 0.282 0.335 -0.062) 0.442 4.640 ( 0.335 -0.024 -0.053) 0.340 4.654 ( 0.047 0.501 0.215) 0.547 4.662 ( -0.175 0.430 0.290) 0.547 4.698 ( -0.264 1.776 -0.207) 1.808 4.727 ( 0.255 1.430 -0.837) 1.676 4.750 ( -0.676 -0.797 0.955) 1.415 4.771 ( 0.731 -0.690 -0.402) 1.082 4.799 ( 0.862 -0.363 0.347) 0.997 4.813 ( -0.687 -1.080 -0.164) 1.291 4.826 ( -0.982 -0.077 -0.041) 0.986 4.831 ( 0.381 -0.156 -0.101) 0.425 5.075 ( 0.023 0.160 -1.129) 1.141 5.086 ( -0.480 -0.824 -1.471) 1.752 5.374 ( 0.320 1.561 2.474) 2.942 5.405 ( 0.573 -1.251 1.036) 1.722 11.406 ( -0.349 0.056 -1.524) 1.565 11.410 ( -0.782 -0.309 -1.925) 2.101 11.808 ( 0.023 1.740 4.041) 4.400 11.879 ( -0.641 -5.527 3.406) 6.523 12.072 ( 0.977 1.932 -0.015) 2.165 12.104 ( 5.309 -1.188 0.489) 5.463 12.491 ( -0.495 0.669 0.757) 1.125 12.505 ( -0.421 -0.547 0.058) 0.693 13.508 ( -0.100 0.255 0.027) 0.275 13.514 ( 0.012 -0.297 -0.201) 0.359 13.664 ( 0.101 0.079 0.207) 0.243 13.665 ( 0.164 -0.074 0.183) 0.257 13.915 ( -0.170 0.632 0.247) 0.700 13.929 ( 0.206 -0.640 -0.245) 0.715 15.222 ( -0.116 0.526 0.122) 0.552 15.233 ( 0.051 -0.491 -0.275) 0.565 17.286 ( -0.003 1.813 0.065) 1.814 17.322 ( 0.980 -1.288 -1.541) 2.234 17.563 ( -1.055 4.456 -1.243) 4.745 17.630 ( -3.920 -2.393 -2.680) 5.317 36.243 ( 0.066 0.022 0.242) 0.252 36.243 ( 0.032 -0.017 0.232) 0.235 36.576 ( -0.145 0.136 -0.062) 0.208 36.580 ( -0.052 -0.213 -0.268) 0.346 ======================= Grid point 28 (16/28) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 2.646 0.715 7.231) 7.733 0.494 ( 1.164 0.432 8.123) 8.217 0.581 ( 3.504 2.831 1.321) 4.694 0.659 ( -1.331 2.649 -1.420) 3.287 0.699 ( 2.473 -3.806 2.286) 5.083 0.731 ( -0.653 -2.122 -3.607) 4.236 0.791 ( 0.692 1.414 -5.434) 5.657 0.818 ( 2.715 1.428 -3.205) 4.437 0.862 ( 1.054 -0.326 2.487) 2.720 0.868 ( 0.272 4.366 4.632) 6.371 0.888 ( -1.140 2.306 0.044) 2.573 0.960 ( 0.327 -1.839 0.825) 2.042 0.971 ( -2.483 -1.179 -0.983) 2.919 0.989 ( -0.373 -1.683 2.629) 3.144 1.003 ( -0.582 0.369 -0.650) 0.947 1.025 ( -0.584 -1.418 -0.036) 1.534 1.071 ( 1.111 0.410 -0.994) 1.546 1.095 ( 0.639 -1.282 0.328) 1.470 1.245 ( 1.025 -0.104 3.274) 3.432 1.250 ( 0.958 -0.667 3.854) 4.026 1.263 ( 0.307 0.368 -0.923) 1.040 1.275 ( 0.380 -0.838 -0.236) 0.950 1.315 ( 0.020 1.797 -0.201) 1.808 1.329 ( -0.400 0.903 -0.869) 1.316 1.369 ( -0.990 0.843 0.421) 1.367 1.376 ( -0.537 0.431 0.796) 1.053 1.383 ( -0.466 0.573 0.998) 1.241 1.396 ( -0.350 -0.959 0.278) 1.058 1.420 ( -0.693 0.669 0.597) 1.133 1.432 ( 0.795 -1.493 1.609) 2.335 1.440 ( 0.102 0.027 1.085) 1.090 1.445 ( -0.175 -2.167 0.137) 2.179 1.451 ( -0.011 -1.141 0.896) 1.450 1.459 ( -0.203 -1.914 0.728) 2.057 1.471 ( -1.020 0.253 1.043) 1.481 1.479 ( -0.976 -0.680 0.476) 1.281 1.506 ( 0.597 0.389 -0.518) 0.881 1.521 ( 0.038 0.291 -0.521) 0.598 1.528 ( -0.792 1.136 0.732) 1.567 1.541 ( -0.074 1.156 -1.830) 2.166 1.553 ( -0.870 0.379 -0.542) 1.093 1.557 ( -0.301 1.196 0.926) 1.542 1.561 ( -0.772 0.463 -2.139) 2.321 1.572 ( 0.278 -0.669 -0.327) 0.795 1.591 ( 0.195 -0.628 -1.270) 1.430 1.598 ( -1.393 -1.091 -3.217) 3.671 1.637 ( 0.447 0.610 -0.958) 1.220 1.649 ( 0.417 -0.623 -0.414) 0.857 1.682 ( -0.341 0.726 -0.729) 1.084 1.695 ( 0.096 0.002 -1.236) 1.240 1.709 ( 0.062 0.323 1.735) 1.766 1.724 ( -0.250 -0.565 0.852) 1.053 1.749 ( -0.835 0.179 -1.413) 1.651 1.757 ( -0.774 -0.592 -1.594) 1.868 1.767 ( -0.340 0.295 -0.649) 0.790 1.779 ( -0.874 -0.879 -1.334) 1.821 1.820 ( -0.203 1.390 0.380) 1.455 1.840 ( 0.399 0.648 0.067) 0.764 1.851 ( 0.843 -0.317 0.505) 1.032 1.852 ( -0.060 -1.287 0.573) 1.410 1.906 ( -0.110 0.450 0.182) 0.498 1.907 ( -0.120 0.495 -0.722) 0.884 2.032 ( -0.121 1.106 -0.161) 1.124 2.041 ( -0.598 0.160 -0.383) 0.728 2.053 ( -0.843 -0.877 -0.176) 1.230 2.061 ( 0.203 -1.405 -0.530) 1.515 2.105 ( 0.468 0.410 0.646) 0.897 2.112 ( 0.819 -0.158 0.636) 1.049 2.156 ( 0.374 0.263 -0.290) 0.541 2.165 ( 0.406 -0.257 -0.150) 0.503 2.195 ( 0.626 0.268 -1.045) 1.248 2.200 ( 0.709 -0.123 -1.160) 1.365 2.327 ( -0.669 0.553 0.613) 1.062 2.333 ( -0.396 0.013 0.445) 0.596 2.443 ( 0.411 1.259 1.209) 1.793 2.458 ( 0.424 -0.311 1.544) 1.631 2.475 ( -0.227 0.212 -1.037) 1.082 2.484 ( -0.247 -0.486 0.373) 0.661 2.488 ( 0.105 1.309 -0.588) 1.439 2.517 ( -0.071 -1.250 0.080) 1.254 2.533 ( 0.832 0.951 -1.184) 1.732 2.553 ( 0.551 -0.473 -0.458) 0.859 2.581 ( -0.328 0.023 0.187) 0.378 2.585 ( 0.077 0.672 0.039) 0.677 2.600 ( -0.063 -0.958 0.197) 0.980 2.611 ( 0.429 -1.517 -1.365) 2.085 2.617 ( -0.289 0.590 -0.292) 0.719 2.635 ( -0.235 -0.534 -0.938) 1.105 2.732 ( -0.078 1.476 0.588) 1.591 2.758 ( -0.120 0.642 -0.747) 0.992 2.784 ( -0.411 -0.187 0.392) 0.598 2.804 ( -0.509 -0.715 0.079) 0.881 2.811 ( 0.197 -0.461 -0.767) 0.916 2.829 ( 0.317 -1.302 -0.070) 1.342 2.888 ( -0.681 1.462 -0.360) 1.652 2.896 ( -0.649 -0.095 0.197) 0.684 2.900 ( 0.111 -0.023 0.854) 0.861 2.926 ( 0.178 -1.076 -1.167) 1.597 2.944 ( -0.484 1.301 -0.064) 1.390 2.979 ( 0.043 -1.584 -1.004) 1.876 3.051 ( -0.143 0.885 0.700) 1.137 3.071 ( -0.625 -1.160 1.174) 1.765 3.093 ( 0.857 1.535 -0.663) 1.879 3.117 ( 0.196 -0.616 -0.563) 0.857 3.172 ( 0.292 -0.172 -0.559) 0.653 3.180 ( 0.621 -0.950 -0.948) 1.479 3.226 ( -0.969 2.013 1.272) 2.571 3.270 ( -0.176 -2.014 0.183) 2.030 3.279 ( -0.533 0.970 1.410) 1.792 3.311 ( 0.378 -1.488 0.356) 1.575 3.321 ( 1.218 0.809 -0.098) 1.465 3.328 ( 0.788 -0.211 2.298) 2.439 3.366 ( 0.160 0.494 -1.529) 1.615 3.385 ( 0.882 -1.307 -1.874) 2.449 3.427 ( -0.045 0.407 -0.147) 0.435 3.443 ( -0.148 -0.485 -0.499) 0.712 3.455 ( -1.362 2.358 0.220) 2.733 3.479 ( -0.626 0.082 1.449) 1.581 3.489 ( 0.549 1.818 0.564) 1.981 3.524 ( -0.033 -0.558 -0.603) 0.823 3.541 ( 0.532 -0.305 0.868) 1.063 3.549 ( 0.520 -0.492 0.333) 0.789 3.563 ( 0.166 -0.955 -0.541) 1.110 3.571 ( -0.273 -1.450 -1.197) 1.900 3.591 ( -0.179 0.353 0.594) 0.714 3.599 ( -0.069 -0.860 0.293) 0.911 3.634 ( -0.869 2.286 1.798) 3.035 3.657 ( 0.037 0.727 0.274) 0.778 3.667 ( -0.054 0.237 -0.449) 0.511 3.680 ( -0.312 0.007 0.495) 0.585 3.710 ( -0.676 1.160 0.194) 1.357 3.731 ( -0.346 0.883 0.598) 1.121 3.746 ( -0.281 0.469 -0.464) 0.717 3.774 ( 0.371 -1.936 -0.175) 1.979 3.788 ( 0.080 0.681 -1.143) 1.333 3.797 ( -0.148 -0.149 0.349) 0.407 3.865 ( -0.155 -0.452 1.073) 1.174 3.879 ( -0.386 -1.132 0.757) 1.415 4.032 ( 0.779 -0.285 2.783) 2.904 4.038 ( -0.726 -1.146 1.402) 1.951 4.070 ( -0.836 0.213 -1.997) 2.176 4.079 ( -1.182 -0.580 -3.046) 3.319 4.228 ( -0.225 1.471 0.899) 1.739 4.260 ( 0.510 -1.461 -0.134) 1.553 4.387 ( -0.985 0.014 0.075) 0.988 4.391 ( 0.045 -0.381 -0.066) 0.389 4.428 ( 0.257 0.726 0.035) 0.771 4.440 ( 0.320 -0.550 0.101) 0.644 4.465 ( -0.010 0.571 0.088) 0.578 4.468 ( -0.114 0.454 0.304) 0.558 4.548 ( -0.885 0.620 -0.857) 1.379 4.559 ( -0.690 -0.355 -1.094) 1.342 4.642 ( 0.451 0.655 -0.165) 0.812 4.646 ( 0.458 0.093 -0.470) 0.662 4.660 ( 0.280 0.126 -0.092) 0.321 4.671 ( 0.728 -0.382 0.352) 0.894 4.699 ( 0.171 1.647 0.264) 1.677 4.723 ( 0.299 2.175 -0.798) 2.336 4.741 ( -0.935 -1.498 0.485) 1.831 4.766 ( -1.014 -1.289 -0.129) 1.645 4.794 ( -0.572 0.084 -0.259) 0.633 4.813 ( 0.290 -0.964 0.685) 1.218 4.826 ( 0.538 0.319 -0.425) 0.757 4.845 ( 0.842 -0.638 0.161) 1.069 5.067 ( -0.262 0.166 -0.784) 0.843 5.075 ( 0.679 -0.522 -0.404) 0.947 5.400 ( 0.465 0.996 1.361) 1.750 5.420 ( 0.422 -0.736 0.141) 0.860 11.388 ( -0.163 0.252 -0.732) 0.791 11.395 ( 0.259 -0.456 -0.600) 0.796 11.838 ( -0.582 0.250 3.141) 3.204 11.869 ( -1.693 -2.942 0.430) 3.421 12.086 ( -0.000 3.996 0.224) 4.003 12.157 ( 1.919 -3.064 -2.402) 4.341 12.483 ( -1.258 0.380 0.820) 1.549 12.490 ( -1.307 -0.205 0.018) 1.323 13.509 ( 0.194 0.240 0.083) 0.320 13.515 ( 0.305 -0.269 -0.143) 0.431 13.668 ( 0.215 0.137 0.078) 0.267 13.671 ( 0.331 -0.114 0.011) 0.351 13.916 ( -0.094 0.704 0.249) 0.753 13.931 ( 0.310 -0.710 -0.247) 0.813 15.222 ( -0.087 0.434 0.185) 0.480 15.231 ( 0.062 -0.420 -0.237) 0.486 17.290 ( 0.380 1.831 0.057) 1.871 17.323 ( 1.127 -0.966 -1.603) 2.185 17.541 ( -1.536 1.963 1.894) 3.131 17.572 ( -1.295 -0.921 -0.499) 1.666 36.246 ( 0.059 0.022 0.112) 0.129 36.246 ( 0.095 -0.014 0.140) 0.170 36.573 ( -0.160 0.166 0.020) 0.232 36.577 ( -0.045 -0.200 -0.153) 0.256 ======================= Grid point 29 (17/28) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.398 -0.876 5.880) 5.958 0.585 ( 3.166 -2.278 2.820) 4.813 0.625 ( -1.317 2.889 -1.271) 3.420 0.632 ( 3.113 2.723 -3.520) 5.431 0.706 ( 1.172 -0.047 0.734) 1.384 0.759 ( 0.239 0.988 0.776) 1.279 0.780 ( 0.625 1.613 1.570) 2.336 0.817 ( 3.358 -5.140 -5.697) 8.375 0.846 ( 0.520 1.483 -2.937) 3.331 0.867 ( -2.972 3.775 -1.013) 4.910 0.905 ( -0.120 -1.739 -0.186) 1.753 0.936 ( -1.939 2.057 0.988) 2.994 0.957 ( -1.095 -0.863 0.374) 1.443 0.984 ( 0.081 -1.014 -0.198) 1.036 0.997 ( -0.241 -0.236 0.909) 0.970 1.026 ( 0.233 -1.705 -0.640) 1.836 1.077 ( 0.590 0.721 -0.972) 1.346 1.092 ( 0.242 -0.051 -1.103) 1.130 1.250 ( 0.164 0.612 -1.678) 1.794 1.259 ( -0.824 -0.398 -1.680) 1.913 1.275 ( 0.281 -0.652 -0.405) 0.817 1.280 ( -0.025 -0.887 -0.410) 0.978 1.310 ( -0.379 1.392 -0.538) 1.540 1.320 ( 0.213 0.817 0.444) 0.954 1.348 ( -1.251 1.337 -0.994) 2.084 1.361 ( -0.442 0.931 0.010) 1.030 1.374 ( -1.290 -0.305 0.499) 1.416 1.390 ( -0.683 -1.092 -1.052) 1.664 1.410 ( -0.798 1.168 0.563) 1.522 1.426 ( -0.651 -0.615 -1.127) 1.439 1.435 ( -0.712 -0.917 -0.685) 1.348 1.436 ( -0.512 0.518 0.390) 0.826 1.453 ( -0.705 -1.312 -0.476) 1.564 1.467 ( -0.055 -1.343 0.399) 1.402 1.474 ( -0.527 0.482 0.338) 0.791 1.487 ( -0.564 -0.354 -0.243) 0.709 1.507 ( 0.848 0.508 0.153) 1.000 1.517 ( 0.629 -1.094 -0.611) 1.402 1.520 ( -0.192 -0.123 -1.684) 1.699 1.526 ( -0.962 -0.743 -1.197) 1.706 1.529 ( -0.878 0.716 -0.720) 1.342 1.548 ( -0.262 -0.491 0.270) 0.618 1.564 ( 0.489 0.109 0.667) 0.834 1.578 ( 0.086 -0.765 1.870) 2.022 1.584 ( 0.437 0.045 1.514) 1.576 1.593 ( 0.351 -0.466 1.706) 1.803 1.645 ( 0.555 0.844 1.014) 1.431 1.662 ( 0.748 -0.682 1.020) 1.438 1.679 ( 0.189 1.667 0.221) 1.692 1.695 ( 0.563 0.056 0.378) 0.680 1.714 ( -0.167 0.406 -0.459) 0.635 1.722 ( -0.949 -0.709 -0.315) 1.226 1.743 ( 0.297 0.032 2.264) 2.284 1.749 ( -0.119 -0.363 1.681) 1.724 1.765 ( -0.131 0.189 0.929) 0.957 1.770 ( 0.104 -0.319 1.807) 1.838 1.822 ( -0.113 1.236 0.093) 1.245 1.847 ( 0.593 1.254 -0.282) 1.416 1.852 ( -0.349 -1.212 -0.059) 1.263 1.863 ( 0.330 -0.310 -0.266) 0.525 1.896 ( -0.107 0.561 -1.078) 1.219 1.904 ( -0.081 -0.267 -0.319) 0.424 2.035 ( 0.152 0.811 0.367) 0.903 2.037 ( -0.251 0.098 0.993) 1.029 2.044 ( -0.531 -0.754 0.945) 1.321 2.061 ( 0.284 -1.195 -0.457) 1.311 2.110 ( 0.024 0.661 -0.567) 0.871 2.122 ( 0.212 -0.310 -0.455) 0.590 2.158 ( 0.375 0.264 -0.450) 0.643 2.170 ( 0.493 -0.564 -0.345) 0.825 2.210 ( 0.969 0.301 1.103) 1.499 2.217 ( 1.267 -0.308 1.001) 1.644 2.321 ( -0.608 0.560 0.442) 0.938 2.328 ( -0.476 -0.033 0.029) 0.478 2.455 ( 0.063 0.559 0.134) 0.579 2.460 ( -0.166 -0.103 -1.152) 1.169 2.478 ( 0.021 0.943 -0.808) 1.242 2.481 ( 0.316 0.153 1.201) 1.251 2.495 ( -0.010 0.251 1.125) 1.153 2.515 ( -0.177 -1.258 0.239) 1.293 2.531 ( 0.591 0.787 -1.303) 1.633 2.555 ( 0.399 -0.562 -0.918) 1.148 2.579 ( -0.096 0.081 0.410) 0.429 2.585 ( -0.057 0.637 -0.354) 0.731 2.596 ( -0.313 -1.225 0.018) 1.265 2.603 ( 0.249 -0.812 -1.072) 1.367 2.616 ( 0.297 1.374 0.586) 1.523 2.637 ( 0.739 -0.065 0.260) 0.786 2.735 ( -0.499 0.781 0.940) 1.320 2.750 ( 0.159 0.367 -0.703) 0.809 2.777 ( -0.506 0.485 -0.202) 0.729 2.796 ( -0.771 -0.191 0.529) 0.955 2.801 ( 0.220 -0.963 -1.564) 1.850 2.832 ( 0.316 -1.958 -0.049) 1.984 2.877 ( -0.450 1.040 0.097) 1.137 2.887 ( -0.564 0.152 0.146) 0.602 2.911 ( 0.067 0.061 0.858) 0.862 2.925 ( 0.048 -0.351 0.578) 0.678 2.940 ( 0.062 0.401 0.330) 0.523 2.972 ( 0.144 -1.893 -0.713) 2.028 3.051 ( -0.242 1.646 0.192) 1.675 3.067 ( -0.865 -0.323 1.005) 1.364 3.097 ( 0.670 0.520 -1.448) 1.678 3.111 ( 0.255 -0.668 -1.302) 1.485 3.177 ( 0.459 -0.095 0.243) 0.528 3.184 ( 0.558 -0.716 -0.149) 0.919 3.224 ( -0.889 2.087 1.426) 2.680 3.265 ( -0.451 -1.229 -0.089) 1.312 3.285 ( -0.120 -0.287 0.799) 0.857 3.304 ( -0.009 -1.505 -1.211) 1.932 3.323 ( -0.107 0.836 -2.533) 2.670 3.338 ( -0.164 -0.549 -0.874) 1.045 3.377 ( 1.090 0.416 0.419) 1.240 3.384 ( 1.280 -0.717 -0.782) 1.662 3.423 ( -0.172 0.002 -0.262) 0.313 3.434 ( -0.093 -0.779 -0.808) 1.126 3.443 ( -0.852 2.795 0.939) 3.069 3.481 ( -0.722 -0.396 1.056) 1.339 3.497 ( 0.082 1.445 -0.050) 1.448 3.517 ( -0.031 -0.436 -0.574) 0.722 3.542 ( -0.120 -0.031 -1.249) 1.255 3.551 ( 0.192 -0.537 -1.481) 1.587 3.567 ( 0.575 0.019 0.666) 0.880 3.577 ( 0.439 -1.093 1.014) 1.554 3.595 ( -0.305 -0.847 -0.016) 0.901 3.598 ( -0.169 -0.819 0.634) 1.049 3.637 ( -0.890 3.082 1.465) 3.527 3.658 ( -0.262 0.547 -0.393) 0.723 3.660 ( -0.112 0.373 0.429) 0.579 3.683 ( -0.249 0.828 0.467) 0.983 3.712 ( -0.031 -0.236 0.986) 1.014 3.730 ( -0.621 0.537 0.641) 1.042 3.732 ( -0.394 1.241 -0.892) 1.578 3.771 ( 0.192 -1.733 -0.745) 1.896 3.787 ( 0.182 0.968 0.311) 1.032 3.808 ( 0.244 -0.938 0.817) 1.268 3.865 ( -0.367 -0.713 0.056) 0.803 3.879 ( -0.307 -1.783 0.441) 1.862 4.017 ( -1.068 0.619 -2.042) 2.387 4.032 ( -1.008 -0.652 -2.658) 2.917 4.067 ( 0.020 0.092 1.967) 1.969 4.072 ( 0.646 -0.527 2.920) 3.037 4.238 ( -0.138 1.614 1.674) 2.329 4.270 ( 0.641 -1.366 0.241) 1.529 4.369 ( -0.996 0.464 0.120) 1.106 4.383 ( -0.078 -0.935 -0.716) 1.180 4.431 ( 0.129 0.882 -0.744) 1.161 4.441 ( -0.194 -0.107 -0.302) 0.375 4.473 ( 0.611 0.221 0.947) 1.148 4.477 ( 0.288 0.001 0.986) 1.027 4.527 ( -0.757 0.591 -0.620) 1.143 4.537 ( -0.528 -0.380 -1.324) 1.475 4.642 ( 0.276 0.709 -0.714) 1.043 4.646 ( 0.433 0.697 -0.533) 0.978 4.668 ( 0.305 0.191 0.429) 0.560 4.684 ( 0.826 -1.120 0.029) 1.392 4.697 ( -0.303 2.524 -0.141) 2.547 4.725 ( 0.472 0.814 -0.282) 0.982 4.733 ( -0.571 -0.678 0.006) 0.887 4.752 ( -0.758 -1.119 0.513) 1.446 4.788 ( -0.031 0.058 -0.248) 0.257 4.822 ( -0.234 -2.354 0.497) 2.417 4.826 ( 0.136 1.391 0.019) 1.398 4.857 ( 0.237 -1.067 0.604) 1.249 5.064 ( 0.319 1.141 0.290) 1.219 5.086 ( 0.571 -0.837 0.399) 1.089 5.411 ( 0.095 0.429 -0.317) 0.542 5.420 ( 0.230 -0.425 -1.047) 1.153 11.391 ( 0.389 0.518 0.889) 1.100 11.403 ( 0.571 -0.674 0.797) 1.190 11.841 ( -1.801 -0.317 -0.734) 1.971 11.843 ( -1.910 -0.443 0.775) 2.109 12.072 ( 0.072 3.384 -2.230) 4.053 12.140 ( 1.108 -3.106 -4.356) 5.463 12.473 ( -1.024 0.110 0.800) 1.304 12.473 ( -1.078 0.083 0.884) 1.397 13.514 ( 0.212 0.233 0.175) 0.361 13.519 ( 0.341 -0.255 -0.033) 0.427 13.671 ( 0.138 0.169 -0.143) 0.261 13.674 ( 0.234 -0.153 -0.269) 0.388 13.917 ( -0.072 0.748 0.260) 0.795 13.933 ( 0.286 -0.764 -0.288) 0.865 15.223 ( -0.093 0.373 0.233) 0.449 15.231 ( 0.111 -0.367 -0.139) 0.408 17.297 ( 0.361 1.684 0.083) 1.725 17.327 ( 1.129 -0.903 -1.383) 2.001 17.547 ( -1.321 0.719 3.392) 3.711 17.567 ( -0.103 -0.853 1.104) 1.399 36.247 ( 0.007 0.056 -0.113) 0.126 36.248 ( 0.013 -0.036 -0.098) 0.105 36.572 ( -0.089 0.190 0.241) 0.320 36.576 ( 0.028 -0.199 0.073) 0.214 ======================= Grid point 30 (18/28) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -6.353 1.120 -1.134) 6.549 0.553 ( -3.825 -0.410 -3.413) 5.143 0.587 ( -4.735 2.968 -7.989) 9.750 0.682 ( 2.413 1.141 0.982) 2.844 0.715 ( 2.833 -1.133 -1.353) 3.338 0.746 ( -3.370 -3.604 -3.385) 5.984 0.762 ( 2.074 0.738 -4.703) 5.192 0.796 ( -1.151 -2.468 0.669) 2.804 0.839 ( 1.001 3.683 1.040) 3.956 0.855 ( 0.874 2.829 1.709) 3.419 0.911 ( -0.090 -1.991 2.244) 3.001 0.935 ( 1.146 -2.102 1.423) 2.785 0.957 ( 0.031 1.236 0.483) 1.327 1.002 ( 0.317 1.170 0.942) 1.535 1.006 ( 0.213 -1.548 -0.343) 1.599 1.018 ( 0.267 0.018 0.691) 0.741 1.077 ( 0.389 0.212 -0.745) 0.867 1.086 ( 0.193 -0.144 -1.028) 1.056 1.219 ( -1.714 1.030 -1.253) 2.360 1.230 ( -1.226 0.282 -1.696) 2.112 1.263 ( -0.210 0.760 -1.020) 1.290 1.276 ( 0.347 -0.671 -0.727) 1.048 1.296 ( 0.231 0.843 -1.587) 1.812 1.314 ( -0.881 -0.621 -1.208) 1.619 1.332 ( 0.199 1.563 -0.837) 1.784 1.354 ( -0.513 0.334 -0.447) 0.758 1.360 ( -0.027 -0.221 -0.834) 0.863 1.363 ( -0.389 -1.145 -1.315) 1.786 1.405 ( -0.057 0.301 -1.365) 1.399 1.407 ( -0.317 -0.076 -1.570) 1.604 1.416 ( -0.650 0.338 0.824) 1.103 1.434 ( -0.158 -0.975 0.318) 1.038 1.445 ( -0.470 1.870 -0.025) 1.929 1.456 ( -0.120 -1.008 0.481) 1.123 1.469 ( 0.083 -1.337 0.553) 1.450 1.471 ( -0.911 0.782 -0.535) 1.314 1.482 ( -0.791 0.748 -0.625) 1.255 1.502 ( -0.401 1.058 -1.374) 1.780 1.519 ( 0.448 -2.322 0.292) 2.383 1.528 ( -0.282 -1.914 -0.842) 2.110 1.536 ( 1.241 -0.724 0.573) 1.547 1.551 ( 0.705 -1.578 0.145) 1.735 1.570 ( -0.072 0.520 -0.867) 1.013 1.583 ( 0.201 0.488 -0.845) 0.996 1.592 ( -0.068 -0.488 0.437) 0.659 1.604 ( -0.296 -0.308 -0.696) 0.816 1.666 ( -0.060 1.173 1.895) 2.230 1.686 ( 0.289 1.063 0.839) 1.385 1.689 ( 0.670 -0.148 1.389) 1.549 1.705 ( 0.049 -1.022 0.463) 1.123 1.731 ( 0.884 0.331 1.729) 1.970 1.740 ( 0.512 -0.278 2.027) 2.109 1.766 ( 0.454 0.574 1.319) 1.508 1.768 ( 0.255 0.282 1.245) 1.302 1.783 ( 0.374 0.968 2.014) 2.265 1.801 ( 0.525 -0.556 2.350) 2.471 1.825 ( -0.028 0.450 1.256) 1.335 1.846 ( -0.202 -0.979 0.669) 1.203 1.853 ( 0.265 0.559 -0.411) 0.743 1.857 ( -0.304 0.094 -0.537) 0.625 1.887 ( 0.244 0.757 -0.630) 1.014 1.901 ( 0.230 -0.324 -0.321) 0.511 2.039 ( 0.015 0.681 0.662) 0.949 2.051 ( 0.161 -0.205 1.659) 1.679 2.057 ( 0.233 -0.376 1.485) 1.550 2.062 ( 0.372 -0.852 -0.034) 0.930 2.101 ( -0.254 0.484 -0.555) 0.779 2.115 ( -0.254 -0.460 -0.614) 0.808 2.160 ( 0.155 0.332 -0.032) 0.368 2.173 ( 0.164 -0.587 -0.131) 0.623 2.230 ( -0.048 0.590 0.960) 1.128 2.244 ( 0.495 -0.686 0.888) 1.227 2.318 ( -0.316 0.373 0.368) 0.612 2.321 ( -0.230 0.049 -0.052) 0.241 2.439 ( -0.805 0.190 -1.479) 1.694 2.446 ( -0.427 -0.480 -0.871) 1.083 2.475 ( 0.087 1.288 0.049) 1.292 2.490 ( -0.081 -0.217 0.769) 0.804 2.507 ( 0.158 0.362 1.042) 1.114 2.517 ( 0.116 -0.499 -0.139) 0.530 2.529 ( 0.269 0.299 -0.629) 0.747 2.547 ( -0.037 -0.568 -1.258) 1.381 2.579 ( 0.124 0.001 -0.494) 0.509 2.588 ( 0.191 0.274 0.386) 0.511 2.593 ( 0.147 -0.448 -0.127) 0.488 2.604 ( 0.372 -0.274 0.067) 0.467 2.629 ( 0.141 1.679 0.795) 1.863 2.654 ( 0.713 0.162 0.128) 0.743 2.735 ( -0.398 0.833 0.666) 1.139 2.752 ( 0.619 0.467 -0.364) 0.856 2.770 ( -0.207 0.183 0.346) 0.443 2.788 ( 0.175 0.757 -1.172) 1.406 2.794 ( -0.134 -2.325 -0.200) 2.337 2.837 ( 0.341 -2.905 -0.646) 2.996 2.880 ( 0.177 1.181 1.280) 1.751 2.887 ( 0.124 0.165 0.827) 0.852 2.922 ( -0.576 0.474 1.494) 1.670 2.930 ( 0.479 0.967 0.374) 1.142 2.957 ( 0.438 -1.318 1.593) 2.114 2.970 ( 0.631 -1.657 -0.499) 1.842 3.051 ( 0.066 2.054 -0.425) 2.098 3.065 ( -0.537 0.170 0.914) 1.074 3.083 ( -0.000 0.267 -2.586) 2.600 3.104 ( 0.428 -1.242 -1.161) 1.753 3.187 ( 0.227 0.097 0.557) 0.609 3.194 ( 0.394 -0.411 0.436) 0.717 3.225 ( -0.746 1.891 1.175) 2.348 3.257 ( -0.099 -0.663 -0.451) 0.808 3.284 ( -0.904 -0.879 -1.494) 1.955 3.286 ( 0.466 -0.180 -1.892) 1.957 3.300 ( -0.827 0.061 -0.421) 0.930 3.317 ( -0.244 -1.692 -0.698) 1.846 3.395 ( 0.409 0.540 -0.395) 0.785 3.396 ( 1.287 0.449 -0.747) 1.555 3.417 ( -0.058 -0.301 -0.412) 0.514 3.425 ( -0.166 -0.802 -0.420) 0.920 3.442 ( -0.180 2.298 0.434) 2.345 3.477 ( -0.670 -0.552 0.429) 0.968 3.491 ( -0.220 1.421 -0.807) 1.649 3.515 ( 0.429 -0.835 -0.352) 1.002 3.525 ( -0.340 0.538 -0.926) 1.123 3.542 ( 0.097 -0.364 -0.752) 0.841 3.579 ( 0.122 -0.942 -0.506) 1.076 3.584 ( -0.065 -1.519 -0.466) 1.590 3.586 ( -0.012 0.912 0.972) 1.333 3.609 ( 0.038 -1.203 1.573) 1.981 3.635 ( -0.940 2.981 1.294) 3.383 3.652 ( -0.213 0.492 -0.458) 0.705 3.660 ( -0.120 0.260 -0.029) 0.288 3.680 ( -0.384 0.501 0.026) 0.632 3.711 ( -0.142 1.022 -0.452) 1.127 3.723 ( 0.016 -0.252 -0.432) 0.500 3.736 ( -0.370 1.139 2.169) 2.478 3.773 ( 0.336 -1.596 0.510) 1.709 3.795 ( 0.234 1.330 0.344) 1.393 3.810 ( -0.054 -0.151 -0.678) 0.697 3.859 ( -0.599 -1.261 0.184) 1.407 3.879 ( -0.128 -2.193 0.182) 2.204 3.983 ( -0.694 0.712 -1.685) 1.957 3.999 ( -0.525 -0.749 -1.602) 1.845 4.088 ( 0.083 0.690 1.744) 1.878 4.105 ( 0.472 -0.802 1.852) 2.073 4.253 ( -0.331 1.401 1.949) 2.423 4.281 ( 0.175 -1.094 0.515) 1.222 4.366 ( 0.126 0.623 0.814) 1.033 4.384 ( 0.860 -1.087 -0.198) 1.399 4.420 ( -0.196 0.591 -1.294) 1.436 4.429 ( -0.392 -0.265 -0.927) 1.041 4.493 ( 0.290 0.140 1.436) 1.472 4.496 ( 0.266 0.004 1.528) 1.551 4.512 ( -0.013 0.687 -1.201) 1.384 4.520 ( 0.208 -0.104 -1.568) 1.585 4.642 ( 0.332 0.669 -0.315) 0.810 4.647 ( 0.289 0.436 -0.455) 0.693 4.673 ( -0.126 1.853 -0.018) 1.857 4.693 ( 0.594 0.052 -0.117) 0.607 4.698 ( -0.335 0.212 0.905) 0.989 4.726 ( -0.158 0.328 -0.165) 0.400 4.727 ( 0.393 -0.331 -0.395) 0.648 4.747 ( -0.463 -0.953 0.295) 1.100 4.787 ( 0.008 -0.216 0.093) 0.235 4.817 ( -0.320 -2.030 0.150) 2.061 4.832 ( 0.028 1.100 0.474) 1.198 4.863 ( 0.156 -1.208 0.002) 1.218 5.081 ( 0.698 1.013 1.323) 1.807 5.098 ( 0.091 -0.518 0.894) 1.037 5.396 ( -0.786 0.460 -1.399) 1.669 5.408 ( -0.066 -0.571 -1.659) 1.756 11.415 ( 0.606 0.415 2.240) 2.358 11.425 ( 0.327 -0.523 1.842) 1.943 11.789 ( -1.695 0.391 -3.429) 3.845 11.795 ( -2.271 -0.123 -2.847) 3.644 12.058 ( 0.153 3.159 -1.255) 3.403 12.127 ( 2.116 -3.374 -3.428) 5.255 12.470 ( -0.500 0.059 0.827) 0.968 12.471 ( -0.072 -0.005 0.722) 0.726 13.518 ( -0.064 0.248 0.229) 0.344 13.523 ( 0.089 -0.266 0.038) 0.283 13.669 ( -0.041 0.163 -0.269) 0.317 13.673 ( -0.003 -0.133 -0.422) 0.443 13.918 ( -0.153 0.710 0.278) 0.778 13.934 ( 0.137 -0.748 -0.324) 0.827 15.223 ( -0.131 0.401 0.235) 0.482 15.232 ( 0.147 -0.392 -0.074) 0.425 17.301 ( -0.011 1.585 0.085) 1.587 17.330 ( 0.876 -1.025 -1.258) 1.844 17.556 ( -1.764 1.449 3.374) 4.074 17.588 ( 0.895 -1.460 2.056) 2.676 36.244 ( -0.053 0.051 -0.208) 0.221 36.245 ( -0.081 -0.019 -0.227) 0.242 36.574 ( -0.042 0.212 0.344) 0.406 36.578 ( 0.089 -0.210 0.182) 0.292 ======================= Grid point 31 (19/28) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -7.481 4.326 -3.951) 9.502 0.430 ( -6.149 8.480 -1.343) 10.560 0.476 ( -1.791 -5.902 -1.306) 6.304 0.635 ( -2.446 -6.278 -4.200) 7.939 0.706 ( -2.388 5.660 2.018) 6.466 0.732 ( -1.715 4.456 0.635) 4.816 0.798 ( 2.491 -4.415 -0.866) 5.143 0.809 ( 2.246 -0.359 3.122) 3.862 0.859 ( 0.405 0.284 -0.603) 0.780 0.887 ( 0.664 0.663 1.876) 2.098 0.916 ( -0.300 -1.602 -2.235) 2.766 0.933 ( -1.367 -2.512 0.374) 2.884 0.972 ( 0.180 0.056 0.665) 0.692 0.996 ( 0.649 -0.280 -0.654) 0.963 1.027 ( 0.363 0.594 0.974) 1.197 1.033 ( -0.034 -0.049 0.069) 0.091 1.077 ( 0.764 0.265 -0.396) 0.900 1.081 ( 0.498 0.027 -0.720) 0.876 1.184 ( -1.507 1.722 -0.481) 2.339 1.200 ( -1.371 0.307 0.386) 1.457 1.252 ( -0.096 0.823 -0.422) 0.930 1.271 ( -0.292 -0.922 -0.985) 1.381 1.282 ( 0.378 0.636 -1.076) 1.306 1.300 ( 0.273 -0.931 -1.000) 1.393 1.320 ( -0.179 0.809 -1.029) 1.321 1.335 ( -0.097 0.814 -0.347) 0.890 1.358 ( 0.579 -0.475 -0.208) 0.778 1.363 ( 0.475 -0.465 -0.136) 0.678 1.398 ( 0.507 -0.128 -0.707) 0.879 1.402 ( 0.728 -0.409 0.052) 0.837 1.430 ( 0.405 0.826 0.955) 1.326 1.439 ( 0.191 0.851 0.245) 0.906 1.450 ( 0.323 -0.207 1.986) 2.023 1.458 ( 0.087 -0.322 0.203) 0.390 1.470 ( -0.012 0.480 0.947) 1.062 1.475 ( 0.615 0.423 0.478) 0.887 1.486 ( 0.186 1.010 0.071) 1.030 1.494 ( 1.184 -0.654 -0.456) 1.427 1.509 ( 0.064 -1.520 -1.677) 2.264 1.526 ( 0.258 -0.997 -0.911) 1.375 1.549 ( 0.072 -0.026 -0.306) 0.316 1.561 ( 0.572 -1.351 0.168) 1.477 1.568 ( 0.810 -0.106 -0.211) 0.844 1.578 ( 0.748 -0.014 -1.199) 1.414 1.594 ( 0.078 -0.674 0.206) 0.710 1.600 ( 0.479 -0.540 -0.151) 0.737 1.682 ( -0.178 0.996 1.825) 2.087 1.694 ( 0.081 0.786 0.164) 0.807 1.703 ( 0.084 0.176 0.045) 0.200 1.717 ( 0.162 -1.831 1.426) 2.326 1.744 ( 0.364 0.431 -0.638) 0.852 1.752 ( -0.166 -0.084 0.264) 0.323 1.770 ( -0.351 0.561 -0.166) 0.683 1.775 ( 0.147 0.218 -0.747) 0.792 1.803 ( 0.230 1.265 0.626) 1.430 1.820 ( -0.120 -0.201 0.631) 0.673 1.837 ( 0.331 0.271 0.199) 0.472 1.841 ( -0.368 0.120 -0.114) 0.403 1.858 ( 0.160 -0.373 0.950) 1.033 1.864 ( 0.172 -0.832 1.614) 1.824 1.892 ( 0.524 0.957 -0.105) 1.096 1.905 ( 0.545 -0.022 -0.263) 0.605 2.048 ( 0.042 0.643 0.700) 0.951 2.066 ( 0.130 -0.289 0.266) 0.413 2.069 ( 0.334 -0.253 0.991) 1.076 2.077 ( 0.394 -0.604 0.730) 1.026 2.093 ( -0.450 0.257 -0.128) 0.534 2.104 ( -0.540 -0.459 -0.377) 0.803 2.163 ( -0.010 0.379 0.335) 0.506 2.174 ( 0.007 -0.467 0.158) 0.493 2.226 ( -0.925 0.886 0.293) 1.314 2.246 ( -0.413 -0.909 -0.244) 1.028 2.319 ( -0.062 0.294 0.402) 0.502 2.321 ( 0.077 0.039 0.252) 0.266 2.419 ( -0.327 0.818 -0.155) 0.894 2.437 ( 0.166 -0.874 -0.243) 0.923 2.478 ( 0.030 1.162 0.338) 1.211 2.497 ( 0.059 -0.370 0.745) 0.834 2.512 ( 0.160 0.377 -0.965) 1.048 2.517 ( -0.043 0.112 0.406) 0.423 2.526 ( -0.073 -0.074 -0.139) 0.174 2.533 ( -0.186 -0.497 -0.742) 0.913 2.579 ( 0.369 0.016 -0.290) 0.470 2.589 ( 0.343 -0.652 -0.444) 0.860 2.601 ( 0.125 0.649 0.548) 0.858 2.609 ( 0.025 0.118 0.106) 0.161 2.632 ( -0.156 1.208 -0.184) 1.232 2.656 ( -0.037 -0.076 -0.375) 0.385 2.733 ( -0.443 1.353 0.147) 1.431 2.759 ( 0.918 2.055 -0.924) 2.433 2.776 ( 0.181 -0.726 0.166) 0.767 2.784 ( 0.672 -0.206 -0.546) 0.890 2.790 ( -0.385 -2.607 0.562) 2.695 2.826 ( -0.108 -2.537 -1.550) 2.975 2.898 ( -0.084 0.419 0.832) 0.935 2.902 ( 0.343 0.142 1.443) 1.490 2.921 ( -0.520 1.450 0.659) 1.676 2.947 ( 0.477 0.588 0.808) 1.107 2.965 ( -0.019 -1.200 0.252) 1.226 2.993 ( 0.716 -1.917 1.096) 2.321 3.031 ( -0.448 1.616 -2.378) 2.910 3.049 ( -0.586 0.017 -2.455) 2.524 3.075 ( 0.247 0.649 1.014) 1.229 3.103 ( 0.424 -1.449 -0.458) 1.578 3.194 ( 0.009 0.221 0.316) 0.386 3.201 ( 0.195 -0.508 -0.152) 0.565 3.219 ( -0.682 2.504 0.410) 2.628 3.255 ( 0.076 0.781 -0.296) 0.838 3.260 ( -0.184 -0.985 -0.552) 1.144 3.276 ( -0.157 -1.236 -0.385) 1.304 3.290 ( -0.139 0.631 0.203) 0.678 3.316 ( -0.088 -2.198 0.143) 2.204 3.384 ( -0.488 0.319 -0.799) 0.989 3.398 ( -0.054 -0.727 -1.580) 1.740 3.413 ( 0.311 0.495 -0.149) 0.603 3.429 ( 0.636 -0.588 0.176) 0.884 3.449 ( 0.332 2.328 0.666) 2.444 3.469 ( -0.084 0.158 -0.476) 0.508 3.482 ( -0.462 1.499 0.056) 1.570 3.516 ( 0.178 -0.138 -0.322) 0.393 3.523 ( 0.587 -0.267 -0.066) 0.648 3.541 ( 0.300 -0.465 -0.294) 0.627 3.569 ( -0.122 -0.996 -0.669) 1.207 3.577 ( -0.054 -1.401 -0.642) 1.542 3.604 ( 0.172 1.034 1.789) 2.073 3.626 ( -0.132 -0.920 1.537) 1.797 3.631 ( -0.879 0.988 0.603) 1.453 3.639 ( -0.202 -0.046 -1.012) 1.033 3.659 ( -0.016 1.108 0.193) 1.125 3.677 ( 0.263 0.477 -0.132) 0.560 3.710 ( 0.065 1.574 0.315) 1.606 3.725 ( 0.614 -0.156 -0.027) 0.634 3.751 ( -0.369 1.110 1.857) 2.194 3.787 ( -0.048 -1.238 -0.134) 1.246 3.795 ( 0.357 1.226 0.577) 1.401 3.807 ( 0.739 0.086 -0.673) 1.003 3.849 ( -0.791 -0.727 -0.010) 1.075 3.877 ( -0.461 -2.096 0.455) 2.194 3.965 ( -0.244 0.694 -0.298) 0.794 3.984 ( -0.105 -0.786 -0.645) 1.022 4.105 ( 0.219 0.800 1.316) 1.555 4.125 ( 0.658 -0.931 0.528) 1.256 4.261 ( -0.808 1.277 1.306) 1.998 4.286 ( -0.074 -0.842 0.349) 0.914 4.378 ( 0.080 0.437 -0.063) 0.449 4.390 ( -0.879 -0.637 -0.515) 1.202 4.411 ( 1.330 0.187 -0.126) 1.349 4.419 ( 0.478 -0.368 -0.670) 0.901 4.486 ( -1.066 0.858 -0.652) 1.516 4.503 ( -0.296 -0.482 -0.693) 0.894 4.521 ( 1.221 0.266 0.157) 1.260 4.524 ( 1.472 0.053 0.276) 1.499 4.642 ( -0.034 0.424 -0.357) 0.555 4.646 ( 0.032 -0.056 -0.307) 0.314 4.665 ( -0.668 2.069 0.165) 2.181 4.692 ( -1.160 -0.124 0.415) 1.238 4.706 ( 0.678 2.137 -0.186) 2.250 4.721 ( 0.074 -0.057 -0.153) 0.180 4.730 ( -0.159 -1.020 0.478) 1.137 4.750 ( 0.865 -1.204 -0.367) 1.527 4.790 ( -0.090 0.143 0.410) 0.443 4.817 ( -0.128 -1.190 0.298) 1.234 4.838 ( 0.061 0.306 0.664) 0.734 4.862 ( 0.258 -1.391 -1.064) 1.770 5.102 ( -0.082 0.214 0.549) 0.595 5.105 ( 0.121 -0.023 0.796) 0.806 5.365 ( -1.376 1.183 -0.835) 1.998 5.391 ( -0.214 -1.175 -0.991) 1.552 11.442 ( -0.331 0.142 1.221) 1.273 11.445 ( 0.181 -0.123 1.810) 1.823 11.740 ( -0.404 0.581 -1.829) 1.961 11.745 ( -0.141 0.223 -1.913) 1.931 12.042 ( -0.910 4.051 -0.785) 4.225 12.129 ( 1.594 -4.198 -3.174) 5.499 12.472 ( 0.027 0.460 0.524) 0.698 12.483 ( 0.663 -0.472 0.602) 1.012 13.516 ( -0.355 0.272 0.190) 0.486 13.522 ( -0.202 -0.293 -0.010) 0.356 13.665 ( -0.167 0.109 -0.166) 0.260 13.667 ( -0.170 -0.073 -0.298) 0.351 13.917 ( -0.250 0.623 0.290) 0.731 13.932 ( 0.028 -0.682 -0.315) 0.751 15.223 ( -0.144 0.492 0.201) 0.551 15.233 ( 0.149 -0.467 -0.095) 0.499 17.298 ( -0.453 1.623 0.002) 1.685 17.329 ( 0.540 -1.190 -1.324) 1.861 17.563 ( -0.713 3.872 2.404) 4.613 17.638 ( 2.346 -3.310 2.737) 4.894 36.242 ( -0.089 0.022 -0.120) 0.151 36.242 ( -0.065 0.017 -0.079) 0.104 36.576 ( -0.050 0.242 0.254) 0.355 36.581 ( 0.086 -0.228 0.078) 0.256 ======================= Grid point 32 (20/28) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -3.157 8.425 8.242) 12.201 0.366 ( -3.730 10.132 6.551) 12.629 0.495 ( -0.787 -7.790 6.458) 10.149 0.593 ( -0.611 -6.288 1.855) 6.585 0.664 ( -5.390 9.126 6.773) 12.578 0.731 ( 1.886 1.396 -3.022) 3.826 0.800 ( -1.242 3.054 -3.672) 4.935 0.822 ( 1.698 -2.359 -2.259) 3.681 0.870 ( -0.005 -2.791 0.117) 2.794 0.894 ( 1.264 -3.049 1.610) 3.672 0.917 ( -1.432 -1.722 -0.576) 2.313 0.927 ( -0.663 -0.700 -0.881) 1.306 0.966 ( 0.974 -0.000 0.312) 1.023 0.987 ( 1.064 -1.299 -1.813) 2.471 1.022 ( -0.263 1.306 -1.780) 2.223 1.034 ( -0.354 -0.043 0.339) 0.492 1.083 ( 0.427 0.177 -1.226) 1.311 1.083 ( 0.358 0.058 -0.849) 0.924 1.172 ( -0.544 0.736 1.847) 2.062 1.191 ( -1.132 -0.560 1.589) 2.030 1.254 ( 0.250 0.470 0.359) 0.642 1.262 ( 0.305 -0.559 -0.661) 0.918 1.289 ( 0.648 1.217 1.317) 1.906 1.310 ( 0.869 0.471 1.566) 1.852 1.330 ( 0.577 0.502 1.392) 1.589 1.340 ( 0.063 1.016 1.049) 1.462 1.359 ( 0.141 0.936 -0.398) 1.027 1.373 ( 0.438 -1.848 0.241) 1.914 1.405 ( 0.423 0.691 0.494) 0.948 1.416 ( -0.114 -0.827 1.599) 1.804 1.434 ( 0.485 -0.771 -0.546) 1.062 1.445 ( -0.880 -1.509 -0.143) 1.753 1.459 ( -0.788 0.497 0.520) 1.067 1.468 ( 0.759 0.106 -0.091) 0.772 1.488 ( 1.338 0.336 0.946) 1.672 1.492 ( 1.203 -0.264 -1.299) 1.790 1.501 ( 0.626 1.271 -0.389) 1.469 1.510 ( 0.932 -0.842 1.533) 1.982 1.516 ( 1.319 -0.068 1.091) 1.714 1.525 ( 0.989 0.693 -0.590) 1.344 1.545 ( 0.333 0.490 -0.678) 0.900 1.570 ( 0.007 -0.687 -0.216) 0.720 1.576 ( 0.211 0.096 -0.052) 0.238 1.579 ( -0.340 0.407 0.857) 1.008 1.600 ( 1.213 -1.098 -1.471) 2.200 1.606 ( 0.554 -1.236 -0.404) 1.414 1.684 ( -0.691 0.558 -1.041) 1.368 1.687 ( -0.561 0.329 -1.046) 1.232 1.704 ( 0.375 0.340 0.127) 0.522 1.722 ( -0.099 -0.972 -1.456) 1.754 1.737 ( -0.522 -0.535 0.024) 0.748 1.743 ( -0.478 -0.670 -1.106) 1.378 1.766 ( 0.046 0.530 0.322) 0.622 1.773 ( 0.110 0.004 0.774) 0.782 1.806 ( -0.024 1.410 0.014) 1.410 1.820 ( -0.221 0.206 0.817) 0.871 1.838 ( -0.706 -0.445 0.282) 0.881 1.842 ( 0.202 0.093 -0.324) 0.393 1.858 ( -0.140 -0.115 -1.822) 1.831 1.869 ( -0.398 -0.789 -1.322) 1.590 1.897 ( 0.627 0.993 -0.391) 1.237 1.909 ( 0.603 0.172 -0.533) 0.823 2.050 ( -0.137 0.360 -0.122) 0.404 2.063 ( -0.049 -0.666 -0.804) 1.045 2.079 ( -0.516 -0.019 0.554) 0.757 2.080 ( -0.162 -0.373 0.099) 0.419 2.087 ( 0.237 0.111 -0.541) 0.601 2.092 ( -0.327 -0.109 -0.284) 0.447 2.162 ( -0.167 0.386 -0.246) 0.487 2.172 ( -0.197 -0.309 -0.530) 0.645 2.216 ( -0.866 0.722 0.474) 1.223 2.233 ( -0.597 -0.777 -0.573) 1.135 2.322 ( -0.007 0.348 0.477) 0.591 2.326 ( 0.153 0.047 0.228) 0.279 2.423 ( -0.060 0.958 0.828) 1.268 2.442 ( 0.253 -0.802 0.019) 0.841 2.481 ( -0.174 1.133 0.288) 1.182 2.501 ( -0.020 0.326 -0.304) 0.446 2.505 ( -0.217 -0.293 -0.563) 0.670 2.513 ( 0.028 -0.375 -0.212) 0.431 2.529 ( 0.163 0.194 -0.067) 0.263 2.534 ( 0.482 -0.034 0.570) 0.747 2.582 ( 0.121 0.015 -0.429) 0.446 2.590 ( 0.309 -0.674 -0.441) 0.862 2.601 ( -0.202 0.358 -0.385) 0.564 2.608 ( 0.033 -0.284 -0.050) 0.290 2.625 ( -0.238 1.172 -0.067) 1.198 2.657 ( 0.423 -0.796 0.072) 0.905 2.728 ( -0.016 1.767 -0.186) 1.777 2.761 ( 0.315 2.349 -0.261) 2.384 2.775 ( 0.231 -1.433 -0.253) 1.473 2.793 ( 0.001 -1.289 0.500) 1.382 2.801 ( 1.284 -0.785 -0.067) 1.507 2.813 ( -0.112 -2.426 -0.402) 2.462 2.896 ( -0.162 0.941 -0.297) 1.000 2.911 ( -0.220 0.179 0.169) 0.330 2.918 ( 0.013 0.620 -0.703) 0.937 2.949 ( -0.464 -0.163 -0.531) 0.724 2.967 ( -0.364 -0.395 0.237) 0.587 2.986 ( -0.018 -0.871 -1.616) 1.836 3.019 ( 0.428 1.118 0.375) 1.255 3.044 ( 0.418 -0.273 1.073) 1.183 3.085 ( 0.034 0.153 0.373) 0.404 3.107 ( 0.466 -1.180 -0.067) 1.270 3.191 ( -0.199 0.016 -0.501) 0.539 3.196 ( -0.145 -0.534 -0.890) 1.048 3.219 ( -0.181 2.408 0.837) 2.555 3.255 ( 0.135 -0.238 0.686) 0.739 3.259 ( -0.239 0.344 0.495) 0.649 3.276 ( -0.218 -0.673 0.811) 1.076 3.293 ( -0.093 -0.028 0.438) 0.449 3.315 ( 0.349 -1.523 -0.461) 1.629 3.373 ( -0.356 0.201 0.155) 0.438 3.385 ( 0.276 -0.833 -0.865) 1.232 3.418 ( 0.427 0.912 0.031) 1.007 3.444 ( 1.410 -1.091 -0.772) 1.943 3.458 ( -0.234 1.393 0.769) 1.608 3.469 ( -0.062 0.413 0.551) 0.692 3.478 ( -0.307 2.645 0.625) 2.735 3.519 ( 0.251 0.340 0.011) 0.423 3.531 ( 0.671 -0.758 -0.514) 1.135 3.541 ( 0.335 -0.509 -0.654) 0.894 3.568 ( 0.143 -1.111 0.356) 1.175 3.573 ( -0.117 -1.358 0.086) 1.366 3.613 ( -0.547 0.327 -1.377) 1.517 3.614 ( -0.793 0.800 0.129) 1.134 3.626 ( -0.066 0.086 1.216) 1.220 3.649 ( 0.233 -1.261 1.110) 1.696 3.661 ( -0.398 1.727 0.835) 1.959 3.684 ( 0.587 -0.017 -0.251) 0.638 3.716 ( 0.153 1.762 0.385) 1.810 3.740 ( 0.871 0.303 0.203) 0.944 3.755 ( -0.739 0.839 0.401) 1.187 3.774 ( -0.210 0.215 -0.805) 0.859 3.811 ( 0.787 -0.091 -1.256) 1.485 3.814 ( -0.063 -1.124 0.814) 1.389 3.840 ( -0.162 0.735 0.172) 0.772 3.875 ( -0.604 -1.539 0.944) 1.904 3.981 ( 0.093 -0.589 1.219) 1.357 3.984 ( 1.730 -1.169 1.382) 2.504 4.118 ( -0.017 0.967 0.651) 1.166 4.136 ( 0.676 -0.579 -0.475) 1.008 4.250 ( -1.489 1.192 -0.025) 1.907 4.280 ( -0.821 -1.420 -0.576) 1.739 4.363 ( -0.123 0.680 -0.545) 0.881 4.376 ( -0.131 -0.473 -0.371) 0.615 4.431 ( 0.669 0.509 0.638) 1.055 4.436 ( 1.089 0.007 -0.020) 1.089 4.463 ( -0.774 0.495 -0.573) 1.082 4.484 ( -0.327 -1.034 -1.646) 1.971 4.549 ( 1.709 0.519 0.708) 1.922 4.552 ( 1.465 0.135 0.215) 1.487 4.637 ( -0.085 0.356 -0.319) 0.486 4.641 ( -0.111 0.004 -0.451) 0.465 4.660 ( -0.509 1.305 0.643) 1.541 4.671 ( -1.183 0.534 -0.516) 1.396 4.706 ( -0.127 2.693 -0.455) 2.734 4.725 ( 0.669 0.581 -0.419) 0.980 4.741 ( -0.144 -1.104 1.910) 2.211 4.760 ( 1.125 -1.455 -0.843) 2.023 4.790 ( -0.079 0.407 0.130) 0.435 4.817 ( -0.145 -0.962 0.144) 0.983 4.841 ( -0.691 -0.538 0.597) 1.059 4.846 ( -0.844 -0.785 -1.222) 1.680 5.092 ( -0.591 0.407 -0.917) 1.165 5.106 ( -0.218 -0.798 -0.958) 1.266 5.352 ( -0.499 1.847 1.606) 2.498 5.388 ( 0.212 -1.555 0.640) 1.695 11.431 ( -0.824 0.512 -1.280) 1.606 11.443 ( -0.799 -0.581 -1.266) 1.605 11.757 ( 1.021 1.561 3.549) 4.009 11.790 ( 3.380 -1.308 6.226) 7.204 12.028 ( 0.885 4.053 -0.314) 4.161 12.104 ( -0.108 -3.695 -4.011) 5.454 12.483 ( 0.297 0.857 0.871) 1.258 12.500 ( 0.609 -0.678 0.509) 1.044 13.511 ( -0.373 0.273 0.082) 0.469 13.518 ( -0.243 -0.309 -0.140) 0.417 13.662 ( -0.116 0.057 0.087) 0.156 13.664 ( -0.090 -0.058 0.037) 0.113 13.916 ( -0.247 0.591 0.274) 0.697 13.929 ( 0.077 -0.627 -0.275) 0.689 15.223 ( -0.118 0.555 0.141) 0.584 15.234 ( 0.106 -0.513 -0.195) 0.559 17.290 ( -0.461 1.706 0.012) 1.768 17.323 ( 0.589 -1.326 -1.392) 2.011 17.576 ( 0.373 5.796 -0.052) 5.808 17.688 ( 0.974 -5.702 -0.853) 5.847 36.241 ( -0.030 0.040 0.106) 0.117 36.241 ( -0.030 -0.020 0.137) 0.142 36.577 ( -0.066 0.212 0.098) 0.243 36.582 ( 0.032 -0.230 -0.138) 0.271 ======================= Grid point 39 (21/28) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -1.123 0.000 -6.849) 6.940 0.509 ( 1.123 0.000 6.849) 6.940 0.633 ( -0.187 0.000 -4.833) 4.837 0.633 ( 0.187 0.000 4.833) 4.837 0.704 ( -0.151 0.000 -0.568) 0.588 0.704 ( 0.151 0.000 0.568) 0.588 0.768 ( -3.325 0.000 -1.382) 3.601 0.768 ( 3.325 0.000 1.382) 3.601 0.851 ( -1.527 0.000 -0.570) 1.630 0.851 ( 1.527 0.000 0.570) 1.630 0.940 ( 1.546 0.000 -6.708) 6.884 0.940 ( -1.546 0.000 6.708) 6.884 1.002 ( -0.468 0.000 -0.797) 0.925 1.002 ( 0.468 0.000 0.797) 0.925 1.017 ( 2.203 0.000 -0.943) 2.396 1.017 ( -2.203 0.000 0.943) 2.396 1.057 ( -1.350 0.000 0.185) 1.363 1.057 ( 1.350 0.000 -0.185) 1.363 1.249 ( -0.739 0.000 -1.125) 1.346 1.249 ( 0.739 0.000 1.125) 1.346 1.286 ( 0.114 0.000 -0.362) 0.379 1.286 ( -0.114 0.000 0.362) 0.379 1.294 ( -0.510 0.000 -2.266) 2.323 1.294 ( 0.510 0.000 2.266) 2.323 1.381 ( -0.642 0.000 -0.083) 0.647 1.381 ( 0.642 0.000 0.083) 0.647 1.395 ( -0.794 0.000 -2.847) 2.955 1.395 ( 0.794 0.000 2.847) 2.955 1.442 ( -1.514 0.000 -0.207) 1.528 1.442 ( 1.514 0.000 0.207) 1.528 1.466 ( 0.005 0.000 -0.309) 0.309 1.466 ( -0.005 0.000 0.309) 0.309 1.480 ( -0.298 0.000 -0.834) 0.886 1.480 ( 0.298 0.000 0.834) 0.886 1.492 ( -0.646 0.000 -1.264) 1.420 1.492 ( 0.646 0.000 1.264) 1.420 1.503 ( -0.213 0.000 -0.822) 0.850 1.503 ( 0.213 0.000 0.822) 0.850 1.521 ( -0.895 0.000 -1.727) 1.945 1.521 ( 0.895 0.000 1.727) 1.945 1.537 ( 0.001 0.000 -1.196) 1.196 1.537 ( -0.001 0.000 1.196) 1.196 1.575 ( 0.124 0.000 -1.506) 1.511 1.575 ( -0.124 0.000 1.506) 1.511 1.595 ( -0.633 0.000 -1.356) 1.497 1.595 ( 0.633 0.000 1.356) 1.497 1.626 ( 1.195 0.000 -0.629) 1.350 1.626 ( -1.195 0.000 0.629) 1.350 1.667 ( -0.236 0.000 -0.292) 0.375 1.667 ( 0.236 0.000 0.292) 0.375 1.727 ( -0.917 0.000 -1.807) 2.027 1.727 ( 0.917 0.000 1.807) 2.027 1.762 ( -0.023 0.000 -1.097) 1.098 1.762 ( 0.023 0.000 1.097) 1.098 1.780 ( 0.141 0.000 -1.392) 1.399 1.780 ( -0.141 0.000 1.392) 1.399 1.824 ( 0.026 0.000 -0.729) 0.730 1.824 ( -0.026 0.000 0.729) 0.730 1.860 ( -0.056 0.000 -1.033) 1.035 1.860 ( 0.056 0.000 1.033) 1.035 1.901 ( -0.202 0.000 -0.123) 0.237 1.901 ( 0.202 0.000 0.123) 0.237 2.041 ( 0.699 0.000 -0.366) 0.789 2.041 ( -0.699 0.000 0.366) 0.789 2.067 ( -0.107 0.000 -0.294) 0.313 2.067 ( 0.107 0.000 0.294) 0.313 2.106 ( -0.379 0.000 -0.096) 0.391 2.106 ( 0.379 0.000 0.096) 0.391 2.163 ( -0.089 0.000 -0.238) 0.254 2.163 ( 0.089 0.000 0.238) 0.254 2.188 ( -0.039 0.000 -0.158) 0.163 2.188 ( 0.039 0.000 0.158) 0.163 2.333 ( 0.207 0.000 -0.187) 0.279 2.333 ( -0.207 0.000 0.187) 0.279 2.441 ( 0.608 0.000 -1.669) 1.776 2.441 ( -0.608 0.000 1.669) 1.776 2.470 ( -0.333 0.000 -0.996) 1.050 2.470 ( 0.333 0.000 0.996) 1.050 2.499 ( 0.397 0.000 -0.793) 0.886 2.499 ( -0.397 0.000 0.793) 0.886 2.548 ( 0.358 0.000 -0.374) 0.518 2.548 ( -0.358 0.000 0.374) 0.518 2.578 ( -0.090 0.000 -0.003) 0.091 2.578 ( 0.090 0.000 0.003) 0.091 2.602 ( 0.571 0.000 -1.332) 1.449 2.602 ( -0.571 0.000 1.332) 1.449 2.616 ( -0.010 0.000 -0.607) 0.608 2.616 ( 0.010 0.000 0.607) 0.608 2.750 ( 0.253 0.000 -0.264) 0.366 2.750 ( -0.253 0.000 0.264) 0.366 2.797 ( 0.505 0.000 -1.198) 1.300 2.797 ( -0.505 0.000 1.198) 1.300 2.830 ( 0.187 0.000 -1.058) 1.075 2.830 ( -0.187 0.000 1.058) 1.075 2.899 ( -1.039 0.000 -1.149) 1.549 2.899 ( 1.039 0.000 1.149) 1.549 2.903 ( 0.306 0.000 -0.115) 0.327 2.903 ( -0.306 0.000 0.115) 0.327 2.962 ( 1.157 0.000 -1.433) 1.842 2.962 ( -1.157 0.000 1.433) 1.842 3.052 ( -1.367 0.000 -0.044) 1.368 3.052 ( 1.367 0.000 0.044) 1.368 3.122 ( 0.876 0.000 -0.840) 1.214 3.122 ( -0.876 0.000 0.840) 1.214 3.166 ( 0.044 0.000 -0.040) 0.060 3.166 ( -0.044 0.000 0.040) 0.060 3.243 ( 1.348 0.000 -2.394) 2.747 3.243 ( -1.348 0.000 2.394) 2.747 3.305 ( 1.178 0.000 -1.396) 1.827 3.305 ( -1.178 0.000 1.396) 1.827 3.327 ( -0.664 0.000 -2.279) 2.374 3.327 ( 0.664 0.000 2.279) 2.374 3.387 ( 0.677 0.000 -1.669) 1.801 3.387 ( -0.677 0.000 1.669) 1.801 3.417 ( 0.215 0.000 -0.573) 0.612 3.417 ( -0.215 0.000 0.573) 0.612 3.448 ( 0.214 0.000 -0.111) 0.241 3.448 ( -0.214 0.000 0.111) 0.241 3.508 ( 0.430 0.000 -1.021) 1.108 3.508 ( -0.430 0.000 1.021) 1.108 3.553 ( -0.430 0.000 -0.136) 0.451 3.553 ( 0.430 0.000 0.136) 0.451 3.581 ( -0.525 0.000 -0.743) 0.910 3.581 ( 0.525 0.000 0.743) 0.910 3.605 ( 0.763 0.000 -2.197) 2.326 3.605 ( -0.763 0.000 2.197) 2.326 3.636 ( 0.023 0.000 -0.671) 0.671 3.636 ( -0.023 0.000 0.671) 0.671 3.665 ( -0.272 0.000 -1.739) 1.760 3.665 ( 0.272 0.000 1.739) 1.760 3.716 ( -0.065 0.000 -0.423) 0.428 3.716 ( 0.065 0.000 0.423) 0.428 3.744 ( 1.231 0.000 -1.980) 2.331 3.744 ( -1.231 0.000 1.980) 2.331 3.806 ( -0.750 0.000 -0.938) 1.201 3.806 ( 0.750 0.000 0.938) 1.201 3.898 ( -0.744 0.000 -0.594) 0.952 3.898 ( 0.744 0.000 0.594) 0.952 4.053 ( -1.116 0.000 -3.062) 3.259 4.053 ( 1.116 0.000 3.062) 3.259 4.079 ( -0.446 0.000 -0.775) 0.894 4.079 ( 0.446 0.000 0.775) 0.894 4.243 ( 0.967 0.000 -1.933) 2.162 4.243 ( -0.967 0.000 1.933) 2.162 4.391 ( -0.133 0.000 -0.064) 0.148 4.391 ( 0.133 0.000 0.064) 0.148 4.441 ( 0.643 0.000 -1.048) 1.230 4.441 ( -0.643 0.000 1.048) 1.230 4.455 ( -0.318 0.000 -0.206) 0.379 4.455 ( 0.318 0.000 0.206) 0.379 4.553 ( 0.410 0.000 -0.397) 0.570 4.553 ( -0.410 0.000 0.397) 0.570 4.637 ( -0.023 0.000 -0.454) 0.455 4.637 ( 0.023 0.000 0.454) 0.455 4.666 ( -0.576 0.000 -1.448) 1.558 4.666 ( 0.576 0.000 1.448) 1.558 4.670 ( 0.237 0.000 -0.173) 0.293 4.670 ( -0.237 0.000 0.173) 0.293 4.763 ( 0.893 0.000 -0.359) 0.963 4.763 ( -0.893 0.000 0.359) 0.963 4.824 ( -1.923 0.000 -0.497) 1.986 4.824 ( 1.923 0.000 0.497) 1.986 4.838 ( -0.126 0.000 -0.420) 0.438 4.838 ( 0.126 0.000 0.420) 0.438 5.069 ( -0.892 0.000 -0.845) 1.229 5.069 ( 0.892 0.000 0.845) 1.229 5.408 ( 0.324 0.000 -1.377) 1.414 5.408 ( -0.324 0.000 1.377) 1.414 11.387 ( -0.519 0.000 0.031) 0.520 11.387 ( 0.519 0.000 -0.031) 0.520 11.913 ( -0.582 0.000 -5.694) 5.723 11.913 ( 0.582 0.000 5.694) 5.723 12.075 ( 3.354 0.000 -3.193) 4.631 12.075 ( -3.354 0.000 3.193) 4.631 12.502 ( -0.087 0.000 -0.383) 0.393 12.502 ( 0.087 0.000 0.383) 0.393 13.509 ( 0.162 0.000 -0.310) 0.350 13.509 ( -0.162 0.000 0.310) 0.350 13.667 ( 0.087 0.000 -0.117) 0.146 13.667 ( -0.087 0.000 0.117) 0.146 13.923 ( 0.545 0.000 -0.732) 0.913 13.923 ( -0.545 0.000 0.732) 0.913 15.226 ( 0.237 0.000 -0.576) 0.623 15.226 ( -0.237 0.000 0.576) 0.623 17.285 ( 0.773 0.000 -1.309) 1.520 17.285 ( -0.773 0.000 1.309) 1.520 17.576 ( -0.770 0.000 -3.844) 3.921 17.576 ( 0.770 0.000 3.844) 3.921 36.246 ( -0.050 0.000 -0.026) 0.057 36.246 ( 0.050 0.000 0.026) 0.057 36.575 ( 0.119 0.000 -0.180) 0.216 36.575 ( -0.119 0.000 0.180) 0.216 ======================= Grid point 41 (22/28) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 4.056 0.000 -8.686) 9.587 0.574 ( 5.191 0.000 -5.852) 7.822 0.641 ( 1.702 0.000 3.328) 3.738 0.683 ( -2.442 0.000 2.697) 3.638 0.686 ( 1.101 0.000 -2.339) 2.586 0.718 ( 1.107 0.000 5.988) 6.089 0.735 ( 0.294 0.000 -2.097) 2.118 0.822 ( 3.315 0.000 -12.991) 13.407 0.841 ( -2.395 0.000 -0.279) 2.411 0.869 ( 1.426 0.000 4.435) 4.658 0.887 ( -1.684 0.000 2.836) 3.298 0.927 ( -0.704 0.000 0.035) 0.705 0.981 ( -2.142 0.000 0.469) 2.192 0.981 ( 0.034 0.000 -2.211) 2.211 1.015 ( -2.431 0.000 -1.194) 2.709 1.016 ( -0.459 0.000 0.856) 0.972 1.050 ( 0.821 0.000 0.671) 1.061 1.072 ( 0.332 0.000 0.329) 0.467 1.229 ( 0.204 0.000 -1.160) 1.177 1.240 ( -0.710 0.000 -3.744) 3.811 1.261 ( 0.459 0.000 -0.795) 0.918 1.282 ( -0.101 0.000 -0.680) 0.688 1.289 ( 0.231 0.000 -0.890) 0.919 1.311 ( -0.127 0.000 0.415) 0.434 1.355 ( -0.903 0.000 -1.644) 1.876 1.357 ( -2.254 0.000 -2.131) 3.102 1.374 ( -0.356 0.000 0.207) 0.412 1.409 ( -1.172 0.000 -1.804) 2.152 1.422 ( -0.919 0.000 -0.098) 0.924 1.444 ( -1.635 0.000 -0.761) 1.803 1.445 ( -0.219 0.000 -0.111) 0.245 1.453 ( -0.921 0.000 -1.143) 1.468 1.472 ( 0.033 0.000 -0.439) 0.440 1.475 ( -0.362 0.000 0.376) 0.521 1.481 ( 0.375 0.000 -1.343) 1.394 1.495 ( -0.470 0.000 0.758) 0.891 1.496 ( -0.265 0.000 -0.795) 0.838 1.506 ( -0.657 0.000 -0.180) 0.681 1.513 ( 0.573 0.000 0.158) 0.594 1.536 ( -0.926 0.000 0.099) 0.931 1.550 ( 1.097 0.000 0.484) 1.199 1.551 ( 0.177 0.000 0.072) 0.191 1.569 ( -0.121 0.000 0.845) 0.853 1.578 ( -0.077 0.000 0.142) 0.162 1.603 ( 0.867 0.000 1.543) 1.770 1.623 ( 0.100 0.000 0.486) 0.496 1.628 ( 0.222 0.000 1.395) 1.412 1.648 ( 1.248 0.000 0.787) 1.476 1.671 ( -0.286 0.000 2.386) 2.403 1.684 ( 0.236 0.000 2.221) 2.234 1.719 ( 0.648 0.000 1.376) 1.521 1.752 ( 0.225 0.000 -0.266) 0.349 1.760 ( -0.247 0.000 0.292) 0.383 1.766 ( 0.540 0.000 3.014) 3.062 1.792 ( 0.859 0.000 1.372) 1.618 1.799 ( -0.566 0.000 2.740) 2.797 1.818 ( -0.062 0.000 -0.125) 0.140 1.824 ( -0.287 0.000 0.180) 0.339 1.845 ( -0.108 0.000 -1.418) 1.422 1.864 ( -0.164 0.000 0.016) 0.165 1.897 ( -0.157 0.000 -0.075) 0.174 1.901 ( -0.076 0.000 -0.363) 0.370 2.044 ( -0.120 0.000 1.529) 1.533 2.054 ( 0.850 0.000 0.127) 0.860 2.063 ( -0.419 0.000 0.473) 0.632 2.071 ( -0.302 0.000 0.799) 0.854 2.097 ( 0.128 0.000 -0.778) 0.788 2.106 ( 0.490 0.000 -1.270) 1.361 2.163 ( 0.235 0.000 0.057) 0.242 2.170 ( 0.339 0.000 0.175) 0.382 2.209 ( 1.146 0.000 1.736) 2.080 2.211 ( 1.517 0.000 1.204) 1.936 2.327 ( -0.480 0.000 -0.089) 0.488 2.327 ( -0.320 0.000 -0.592) 0.673 2.438 ( 0.766 0.000 -1.209) 1.431 2.451 ( -0.239 0.000 1.215) 1.239 2.455 ( -0.268 0.000 -0.318) 0.416 2.480 ( 0.422 0.000 -0.169) 0.455 2.506 ( 0.651 0.000 -0.084) 0.657 2.507 ( -0.074 0.000 1.076) 1.079 2.545 ( -0.008 0.000 -0.554) 0.554 2.548 ( 0.235 0.000 -0.977) 1.005 2.581 ( -0.136 0.000 0.684) 0.698 2.582 ( 0.286 0.000 -0.024) 0.287 2.594 ( 0.036 0.000 -0.718) 0.719 2.603 ( -1.086 0.000 2.106) 2.370 2.607 ( -0.240 0.000 -0.690) 0.730 2.620 ( -0.047 0.000 0.202) 0.207 2.750 ( -0.351 0.000 0.338) 0.487 2.750 ( -0.246 0.000 -0.318) 0.402 2.782 ( -0.457 0.000 -1.138) 1.226 2.789 ( -1.110 0.000 0.547) 1.237 2.829 ( 0.619 0.000 -0.712) 0.943 2.843 ( 0.038 0.000 1.791) 1.792 2.874 ( -0.365 0.000 -1.186) 1.241 2.898 ( -0.689 0.000 0.816) 1.068 2.906 ( 0.147 0.000 -0.112) 0.185 2.929 ( 1.406 0.000 0.956) 1.700 2.960 ( -1.063 0.000 1.767) 2.062 2.969 ( 1.080 0.000 -0.829) 1.362 3.024 ( -1.422 0.000 -0.872) 1.668 3.064 ( 0.726 0.000 -1.045) 1.273 3.110 ( -1.570 0.000 0.921) 1.820 3.120 ( 0.039 0.000 -0.743) 0.744 3.174 ( 0.436 0.000 0.649) 0.782 3.177 ( 0.768 0.000 0.572) 0.957 3.232 ( 0.679 0.000 -3.466) 3.532 3.244 ( -1.374 0.000 2.377) 2.745 3.286 ( -0.055 0.000 -2.123) 2.124 3.294 ( -0.576 0.000 -0.427) 0.717 3.319 ( 1.339 0.000 -1.452) 1.975 3.343 ( -0.429 0.000 -0.168) 0.461 3.380 ( 0.729 0.000 -1.846) 1.985 3.388 ( -0.964 0.000 1.346) 1.655 3.413 ( -0.021 0.000 0.130) 0.131 3.415 ( -0.059 0.000 -0.276) 0.282 3.451 ( -0.210 0.000 0.432) 0.480 3.459 ( 0.338 0.000 0.305) 0.455 3.507 ( 0.477 0.000 -0.623) 0.784 3.512 ( -0.545 0.000 1.245) 1.360 3.540 ( -0.514 0.000 -0.601) 0.791 3.543 ( -0.421 0.000 -1.411) 1.473 3.577 ( 0.194 0.000 -0.022) 0.195 3.597 ( 0.302 0.000 0.716) 0.777 3.604 ( 0.459 0.000 -0.759) 0.887 3.618 ( -0.698 0.000 2.359) 2.460 3.632 ( -0.056 0.000 -1.660) 1.661 3.634 ( 0.550 0.000 -0.032) 0.551 3.652 ( -0.107 0.000 0.214) 0.240 3.680 ( -0.392 0.000 1.254) 1.314 3.701 ( -0.791 0.000 -1.057) 1.320 3.715 ( -0.513 0.000 0.204) 0.552 3.749 ( 1.583 0.000 -1.487) 2.172 3.751 ( -0.412 0.000 2.231) 2.269 3.792 ( -0.009 0.000 -0.623) 0.623 3.829 ( 0.694 0.000 0.859) 1.104 3.878 ( -0.414 0.000 -1.174) 1.245 3.911 ( 0.672 0.000 -0.116) 0.682 4.007 ( -1.229 0.000 -2.137) 2.466 4.048 ( -2.587 0.000 -0.551) 2.645 4.095 ( -0.256 0.000 2.194) 2.208 4.101 ( 0.693 0.000 2.679) 2.767 4.249 ( 1.965 0.000 -1.318) 2.366 4.254 ( -0.311 0.000 2.281) 2.302 4.374 ( -0.348 0.000 -1.751) 1.785 4.384 ( -0.329 0.000 -0.540) 0.633 4.425 ( -1.462 0.000 0.484) 1.540 4.437 ( 0.341 0.000 -0.555) 0.651 4.468 ( 0.633 0.000 0.607) 0.877 4.475 ( 0.896 0.000 0.375) 0.971 4.541 ( -1.272 0.000 -0.301) 1.307 4.543 ( -1.243 0.000 0.612) 1.386 4.632 ( -0.103 0.000 -0.336) 0.352 4.641 ( -0.088 0.000 0.411) 0.420 4.641 ( -0.540 0.000 -1.621) 1.708 4.673 ( 0.758 0.000 -1.187) 1.409 4.679 ( 1.284 0.000 0.173) 1.296 4.687 ( 0.359 0.000 1.468) 1.512 4.753 ( -1.041 0.000 0.545) 1.175 4.773 ( 0.276 0.000 -0.345) 0.442 4.790 ( -0.970 0.000 -0.040) 0.970 4.827 ( 0.109 0.000 -0.590) 0.600 4.853 ( 0.592 0.000 0.644) 0.875 4.862 ( 1.272 0.000 0.409) 1.336 5.058 ( -0.104 0.000 0.719) 0.727 5.094 ( 0.823 0.000 1.277) 1.520 5.392 ( 0.328 0.000 -2.721) 2.741 5.409 ( -0.442 0.000 -0.014) 0.442 11.393 ( 0.284 0.000 1.386) 1.415 11.408 ( 1.072 0.000 1.489) 1.835 11.846 ( -1.565 0.000 -4.851) 5.097 11.945 ( -5.943 0.000 2.256) 6.357 12.025 ( -0.480 0.000 0.265) 0.548 12.065 ( 2.222 0.000 -6.006) 6.403 12.490 ( -0.908 0.000 -0.209) 0.932 12.501 ( -0.812 0.000 0.621) 1.022 13.512 ( 0.474 0.000 -0.207) 0.517 13.513 ( 0.126 0.000 0.403) 0.422 13.667 ( 0.025 0.000 -0.099) 0.102 13.668 ( 0.215 0.000 -0.341) 0.403 13.923 ( -0.406 0.000 0.740) 0.844 13.925 ( 0.625 0.000 -0.755) 0.980 15.225 ( 0.305 0.000 -0.492) 0.579 15.228 ( -0.252 0.000 0.605) 0.655 17.288 ( 1.200 0.000 -1.213) 1.706 17.290 ( -0.348 0.000 1.459) 1.500 17.550 ( 1.033 0.000 -1.927) 2.186 17.638 ( -0.316 0.000 6.476) 6.483 36.244 ( -0.038 0.000 -0.208) 0.212 36.246 ( 0.020 0.000 -0.186) 0.187 36.576 ( 0.109 0.000 0.006) 0.109 36.577 ( -0.116 0.000 0.410) 0.426 ======================= Grid point 42 (23/28) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 3.896 0.000 -12.055) 12.669 0.586 ( -4.952 0.000 -5.936) 7.730 0.614 ( 5.035 0.000 -7.416) 8.964 0.660 ( 1.303 0.000 -4.648) 4.827 0.668 ( -2.039 0.000 3.676) 4.203 0.719 ( 2.351 0.000 -8.076) 8.411 0.777 ( 1.943 0.000 5.105) 5.462 0.809 ( 2.336 0.000 4.404) 4.985 0.840 ( -2.627 0.000 3.025) 4.007 0.864 ( -2.084 0.000 2.968) 3.627 0.912 ( -0.360 0.000 0.500) 0.616 0.928 ( -0.355 0.000 -2.787) 2.810 0.977 ( -0.355 0.000 0.039) 0.357 0.977 ( 0.180 0.000 1.758) 1.767 0.991 ( 1.915 0.000 1.518) 2.444 1.021 ( -0.198 0.000 1.974) 1.984 1.065 ( 0.224 0.000 0.088) 0.240 1.072 ( -0.200 0.000 -0.613) 0.645 1.206 ( 0.048 0.000 -2.532) 2.532 1.220 ( -0.962 0.000 -1.232) 1.563 1.259 ( 0.369 0.000 -0.939) 1.009 1.266 ( -0.764 0.000 -0.053) 0.766 1.279 ( 0.256 0.000 -1.109) 1.138 1.295 ( -0.616 0.000 -0.332) 0.700 1.327 ( 0.449 0.000 -1.650) 1.710 1.331 ( -0.153 0.000 -1.650) 1.657 1.350 ( -1.820 0.000 -2.933) 3.452 1.369 ( -1.339 0.000 0.501) 1.430 1.405 ( -1.142 0.000 -0.125) 1.148 1.406 ( -1.642 0.000 -1.132) 1.995 1.423 ( -0.428 0.000 -0.891) 0.988 1.449 ( -0.191 0.000 1.083) 1.100 1.458 ( -1.591 0.000 -1.021) 1.891 1.465 ( -0.640 0.000 -0.808) 1.031 1.474 ( -1.214 0.000 1.781) 2.155 1.478 ( -1.497 0.000 -1.667) 2.241 1.491 ( 0.351 0.000 -0.871) 0.939 1.495 ( 1.004 0.000 0.674) 1.209 1.517 ( -0.653 0.000 -0.270) 0.706 1.533 ( 1.219 0.000 0.060) 1.221 1.560 ( -0.089 0.000 -0.028) 0.093 1.560 ( 0.507 0.000 0.814) 0.959 1.577 ( -0.430 0.000 0.137) 0.452 1.580 ( 0.512 0.000 -0.387) 0.642 1.603 ( -0.791 0.000 0.288) 0.842 1.607 ( -1.082 0.000 -1.216) 1.628 1.664 ( 1.153 0.000 1.829) 2.162 1.674 ( 0.681 0.000 0.936) 1.158 1.694 ( -0.512 0.000 3.191) 3.232 1.703 ( 0.760 0.000 0.390) 0.854 1.750 ( -0.297 0.000 -0.316) 0.433 1.751 ( 0.633 0.000 1.245) 1.397 1.760 ( -0.103 0.000 -0.048) 0.114 1.778 ( -0.430 0.000 -0.437) 0.614 1.809 ( -0.690 0.000 1.906) 2.027 1.812 ( 0.497 0.000 -0.706) 0.863 1.830 ( 0.188 0.000 -1.085) 1.101 1.842 ( 1.076 0.000 3.238) 3.412 1.847 ( -0.364 0.000 1.868) 1.904 1.861 ( 0.577 0.000 0.669) 0.883 1.893 ( -0.360 0.000 0.132) 0.384 1.895 ( -0.098 0.000 -0.420) 0.431 2.057 ( -0.001 0.000 0.062) 0.062 2.059 ( -0.239 0.000 1.361) 1.382 2.075 ( 0.401 0.000 1.051) 1.125 2.076 ( 0.027 0.000 1.067) 1.068 2.096 ( 0.320 0.000 -0.340) 0.467 2.102 ( 0.441 0.000 -0.971) 1.067 2.172 ( 0.240 0.000 0.658) 0.701 2.176 ( 0.345 0.000 -0.056) 0.349 2.238 ( 0.276 0.000 1.177) 1.208 2.239 ( 1.185 0.000 -0.510) 1.290 2.319 ( -0.128 0.000 -0.121) 0.176 2.320 ( -0.265 0.000 0.049) 0.269 2.435 ( 0.350 0.000 -1.521) 1.561 2.439 ( -0.793 0.000 -0.293) 0.845 2.467 ( -0.197 0.000 1.478) 1.491 2.481 ( 0.374 0.000 -0.869) 0.946 2.514 ( 0.514 0.000 0.067) 0.519 2.516 ( -0.065 0.000 1.214) 1.215 2.536 ( -0.286 0.000 -0.873) 0.919 2.538 ( 0.271 0.000 -1.256) 1.285 2.584 ( -0.124 0.000 0.415) 0.434 2.586 ( -0.054 0.000 0.395) 0.398 2.595 ( 0.284 0.000 0.198) 0.346 2.596 ( -0.317 0.000 -0.176) 0.362 2.613 ( -0.112 0.000 1.396) 1.400 2.620 ( 0.202 0.000 -0.214) 0.295 2.736 ( 0.086 0.000 -1.328) 1.330 2.743 ( -0.592 0.000 -0.033) 0.592 2.773 ( -0.519 0.000 0.726) 0.893 2.783 ( -0.315 0.000 0.201) 0.374 2.830 ( 0.398 0.000 -0.391) 0.558 2.860 ( 0.212 0.000 -1.088) 1.109 2.870 ( 0.449 0.000 2.170) 2.216 2.901 ( -0.323 0.000 1.419) 1.455 2.912 ( 0.808 0.000 0.281) 0.855 2.952 ( -0.493 0.000 0.652) 0.817 2.968 ( 0.832 0.000 0.987) 1.290 2.975 ( 0.366 0.000 -0.330) 0.493 3.000 ( -0.527 0.000 -0.055) 0.530 3.054 ( -0.061 0.000 -2.165) 2.166 3.099 ( -1.096 0.000 1.546) 1.895 3.115 ( 0.091 0.000 -0.564) 0.571 3.188 ( 0.198 0.000 0.956) 0.976 3.193 ( 0.413 0.000 0.376) 0.558 3.209 ( 0.884 0.000 -3.015) 3.142 3.244 ( -1.587 0.000 1.567) 2.230 3.270 ( -0.323 0.000 -2.710) 2.730 3.274 ( 0.002 0.000 -0.860) 0.860 3.327 ( 1.697 0.000 -1.791) 2.467 3.330 ( -0.842 0.000 1.113) 1.396 3.378 ( 0.954 0.000 -1.125) 1.475 3.388 ( -1.101 0.000 1.976) 2.262 3.412 ( 0.228 0.000 -0.615) 0.656 3.418 ( 0.192 0.000 0.286) 0.344 3.448 ( -0.270 0.000 -0.133) 0.301 3.450 ( -0.582 0.000 -1.321) 1.444 3.511 ( 0.559 0.000 -0.338) 0.653 3.512 ( -0.278 0.000 0.351) 0.448 3.528 ( -0.330 0.000 -0.392) 0.512 3.529 ( -0.609 0.000 0.301) 0.680 3.585 ( 0.411 0.000 0.854) 0.948 3.597 ( -0.294 0.000 -0.404) 0.499 3.598 ( -0.063 0.000 -0.730) 0.733 3.619 ( -0.383 0.000 -0.096) 0.395 3.629 ( 0.414 0.000 0.477) 0.632 3.647 ( 0.411 0.000 0.205) 0.460 3.649 ( -0.405 0.000 -0.056) 0.409 3.666 ( -1.205 0.000 -0.578) 1.336 3.690 ( 0.058 0.000 -0.173) 0.182 3.706 ( -0.757 0.000 0.132) 0.768 3.762 ( 1.366 0.000 -1.026) 1.708 3.767 ( -0.623 0.000 2.207) 2.293 3.792 ( 0.660 0.000 -0.453) 0.800 3.826 ( -1.410 0.000 0.051) 1.411 3.883 ( 1.692 0.000 -0.252) 1.710 3.917 ( 0.176 0.000 -0.346) 0.388 3.975 ( -1.194 0.000 -0.522) 1.303 3.991 ( -1.831 0.000 -2.443) 3.053 4.112 ( -0.383 0.000 2.179) 2.212 4.123 ( 0.271 0.000 0.444) 0.520 4.272 ( -0.228 0.000 1.959) 1.973 4.273 ( 1.559 0.000 -0.445) 1.621 4.366 ( 0.993 0.000 -0.668) 1.197 4.382 ( 0.246 0.000 0.750) 0.789 4.407 ( -1.251 0.000 0.054) 1.252 4.430 ( -0.412 0.000 -1.124) 1.197 4.483 ( 0.638 0.000 0.353) 0.729 4.485 ( 0.857 0.000 -0.780) 1.159 4.524 ( -1.028 0.000 0.750) 1.273 4.528 ( -1.299 0.000 0.593) 1.428 4.627 ( 0.130 0.000 -0.185) 0.226 4.633 ( 0.408 0.000 0.229) 0.467 4.642 ( -0.253 0.000 0.281) 0.378 4.666 ( 0.377 0.000 -2.117) 2.150 4.704 ( 1.520 0.000 -0.108) 1.524 4.707 ( 0.223 0.000 1.565) 1.581 4.742 ( -0.983 0.000 0.788) 1.260 4.760 ( -0.764 0.000 -0.472) 0.898 4.796 ( 0.464 0.000 0.670) 0.815 4.822 ( 0.101 0.000 -0.839) 0.845 4.861 ( -0.178 0.000 0.378) 0.418 4.871 ( 0.019 0.000 -0.483) 0.484 5.080 ( 0.775 0.000 2.173) 2.307 5.114 ( 0.208 0.000 0.722) 0.751 5.374 ( 1.027 0.000 -2.664) 2.856 5.395 ( -0.841 0.000 -0.539) 0.999 11.421 ( 1.015 0.000 2.075) 2.310 11.442 ( 0.741 0.000 1.809) 1.955 11.770 ( -1.784 0.000 -4.268) 4.626 11.808 ( -4.409 0.000 -6.163) 7.578 12.056 ( 3.412 0.000 -4.524) 5.666 12.064 ( -0.961 0.000 5.059) 5.150 12.477 ( -0.351 0.000 -0.210) 0.409 12.491 ( -1.019 0.000 0.350) 1.078 13.518 ( 0.500 0.000 -0.196) 0.537 13.519 ( 0.101 0.000 0.404) 0.416 13.666 ( 0.023 0.000 -0.126) 0.128 13.667 ( 0.170 0.000 -0.375) 0.412 13.924 ( -0.327 0.000 0.782) 0.848 13.927 ( 0.547 0.000 -0.790) 0.961 15.226 ( 0.385 0.000 -0.434) 0.581 15.230 ( -0.336 0.000 0.544) 0.639 17.297 ( 1.279 0.000 -1.224) 1.770 17.299 ( -0.406 0.000 1.457) 1.513 17.566 ( 2.797 0.000 -1.196) 3.042 17.658 ( -4.309 0.000 4.577) 6.286 36.242 ( 0.002 0.000 -0.172) 0.172 36.244 ( -0.035 0.000 -0.224) 0.227 36.578 ( 0.153 0.000 -0.059) 0.164 36.579 ( -0.138 0.000 0.422) 0.444 ======================= Grid point 43 (24/28) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -7.767 0.000 2.441) 8.141 0.423 ( 7.767 0.000 -2.441) 8.141 0.645 ( 1.531 0.000 -0.759) 1.709 0.645 ( -1.531 0.000 0.759) 1.709 0.695 ( -0.460 0.000 -2.890) 2.926 0.695 ( 0.460 0.000 2.890) 2.926 0.818 ( 1.166 0.000 -2.897) 3.123 0.818 ( -1.166 0.000 2.897) 3.123 0.871 ( -0.461 0.000 -1.027) 1.125 0.871 ( 0.461 0.000 1.027) 1.125 0.900 ( 0.674 0.000 -0.859) 1.092 0.900 ( -0.674 0.000 0.859) 1.092 0.985 ( 0.702 0.000 -0.315) 0.769 0.985 ( -0.702 0.000 0.315) 0.769 1.032 ( -0.886 0.000 -0.236) 0.917 1.032 ( 0.886 0.000 0.236) 0.917 1.059 ( 0.148 0.000 -0.248) 0.289 1.059 ( -0.148 0.000 0.248) 0.289 1.195 ( 1.097 0.000 -0.992) 1.479 1.195 ( -1.097 0.000 0.992) 1.479 1.259 ( 0.512 0.000 -0.262) 0.575 1.259 ( -0.512 0.000 0.262) 0.575 1.288 ( -0.892 0.000 -0.693) 1.129 1.288 ( 0.892 0.000 0.693) 1.129 1.313 ( -0.124 0.000 -1.485) 1.490 1.313 ( 0.124 0.000 1.485) 1.490 1.343 ( 1.798 0.000 -0.704) 1.931 1.343 ( -1.798 0.000 0.704) 1.931 1.390 ( -0.271 0.000 -0.016) 0.271 1.390 ( 0.271 0.000 0.016) 0.271 1.426 ( -1.279 0.000 0.166) 1.290 1.426 ( 1.279 0.000 -0.166) 1.290 1.453 ( 0.416 0.000 -0.981) 1.066 1.453 ( -0.416 0.000 0.981) 1.066 1.466 ( -0.803 0.000 -0.438) 0.915 1.466 ( 0.803 0.000 0.438) 0.915 1.501 ( -0.545 0.000 -1.314) 1.423 1.501 ( 0.545 0.000 1.314) 1.423 1.525 ( -1.152 0.000 -1.300) 1.737 1.525 ( 1.152 0.000 1.300) 1.737 1.564 ( -0.310 0.000 -0.329) 0.452 1.564 ( 0.310 0.000 0.329) 0.452 1.578 ( -0.136 0.000 -1.140) 1.148 1.578 ( 0.136 0.000 1.140) 1.148 1.593 ( 0.839 0.000 -0.347) 0.908 1.593 ( -0.839 0.000 0.347) 0.908 1.683 ( -0.107 0.000 -0.101) 0.147 1.683 ( 0.107 0.000 0.101) 0.147 1.710 ( 0.930 0.000 -2.102) 2.298 1.710 ( -0.930 0.000 2.102) 2.298 1.751 ( -0.097 0.000 -1.000) 1.005 1.751 ( 0.097 0.000 1.000) 1.005 1.767 ( -0.299 0.000 -0.682) 0.745 1.767 ( 0.299 0.000 0.682) 0.745 1.813 ( 0.512 0.000 -0.983) 1.109 1.813 ( -0.512 0.000 0.983) 1.109 1.833 ( -0.784 0.000 -0.457) 0.908 1.833 ( 0.784 0.000 0.457) 0.908 1.875 ( -0.233 0.000 -0.539) 0.587 1.875 ( 0.233 0.000 0.539) 0.587 1.892 ( 0.278 0.000 -0.643) 0.700 1.892 ( -0.278 0.000 0.643) 0.700 2.060 ( 0.299 0.000 -0.128) 0.326 2.060 ( -0.299 0.000 0.128) 0.326 2.085 ( 0.155 0.000 -0.263) 0.305 2.085 ( -0.155 0.000 0.263) 0.305 2.099 ( 0.062 0.000 -0.471) 0.475 2.099 ( -0.062 0.000 0.471) 0.475 2.178 ( 0.120 0.000 -0.325) 0.347 2.178 ( -0.120 0.000 0.325) 0.347 2.243 ( 0.647 0.000 -1.111) 1.286 2.243 ( -0.647 0.000 1.111) 1.286 2.319 ( 0.077 0.000 -0.076) 0.109 2.319 ( -0.077 0.000 0.076) 0.109 2.428 ( 0.741 0.000 -0.986) 1.234 2.428 ( -0.741 0.000 0.986) 1.234 2.476 ( 0.292 0.000 -1.196) 1.232 2.476 ( -0.292 0.000 1.196) 1.232 2.524 ( -0.296 0.000 -0.469) 0.554 2.524 ( 0.296 0.000 0.469) 0.554 2.529 ( 0.239 0.000 -1.370) 1.390 2.529 ( -0.239 0.000 1.370) 1.390 2.585 ( -0.016 0.000 -0.086) 0.088 2.585 ( 0.016 0.000 0.086) 0.088 2.598 ( 0.032 0.000 -0.398) 0.399 2.598 ( -0.032 0.000 0.398) 0.399 2.621 ( 0.168 0.000 -0.490) 0.518 2.621 ( -0.168 0.000 0.490) 0.518 2.734 ( 0.638 0.000 -0.464) 0.789 2.734 ( -0.638 0.000 0.464) 0.789 2.776 ( 0.229 0.000 -1.108) 1.131 2.776 ( -0.229 0.000 1.108) 1.131 2.843 ( -0.387 0.000 -1.446) 1.497 2.843 ( 0.387 0.000 1.446) 1.497 2.901 ( -0.603 0.000 -0.850) 1.042 2.901 ( 0.603 0.000 0.850) 1.042 2.935 ( -1.388 0.000 -0.456) 1.460 2.935 ( 1.388 0.000 0.456) 1.460 2.976 ( 0.316 0.000 -0.474) 0.570 2.976 ( -0.316 0.000 0.474) 0.570 3.023 ( -0.671 0.000 -2.782) 2.862 3.023 ( 0.671 0.000 2.782) 2.862 3.106 ( 0.195 0.000 -1.652) 1.664 3.106 ( -0.195 0.000 1.652) 1.664 3.196 ( 0.188 0.000 -0.575) 0.605 3.196 ( -0.188 0.000 0.575) 0.605 3.213 ( -1.945 0.000 0.353) 1.977 3.213 ( 1.945 0.000 -0.353) 1.977 3.264 ( -0.280 0.000 -0.449) 0.529 3.264 ( 0.280 0.000 0.449) 0.529 3.333 ( 1.209 0.000 -2.032) 2.365 3.333 ( -1.209 0.000 2.032) 2.365 3.387 ( 1.266 0.000 -1.245) 1.776 3.387 ( -1.266 0.000 1.245) 1.776 3.413 ( -0.270 0.000 -0.500) 0.568 3.413 ( 0.270 0.000 0.500) 0.568 3.442 ( -0.150 0.000 -0.347) 0.378 3.442 ( 0.150 0.000 0.347) 0.378 3.513 ( 0.008 0.000 -0.173) 0.173 3.513 ( -0.008 0.000 0.173) 0.173 3.524 ( 0.472 0.000 -0.497) 0.685 3.524 ( -0.472 0.000 0.497) 0.685 3.592 ( 0.157 0.000 -0.197) 0.252 3.592 ( -0.157 0.000 0.197) 0.252 3.605 ( -0.710 0.000 -1.014) 1.238 3.605 ( 0.710 0.000 1.014) 1.238 3.641 ( -0.265 0.000 -0.891) 0.929 3.641 ( 0.265 0.000 0.891) 0.929 3.650 ( -0.459 0.000 -0.249) 0.522 3.650 ( 0.459 0.000 0.249) 0.522 3.695 ( -0.650 0.000 -0.000) 0.650 3.695 ( 0.650 0.000 0.000) 0.650 3.770 ( 1.131 0.000 -1.356) 1.766 3.770 ( -1.131 0.000 1.356) 1.766 3.804 ( -1.275 0.000 0.245) 1.298 3.804 ( 1.275 0.000 -0.245) 1.298 3.907 ( -1.156 0.000 -0.099) 1.160 3.907 ( 1.156 0.000 0.099) 1.160 3.963 ( 0.601 0.000 -1.378) 1.503 3.963 ( -0.601 0.000 1.378) 1.503 4.123 ( 0.305 0.000 -1.225) 1.263 4.123 ( -0.305 0.000 1.225) 1.263 4.281 ( 0.566 0.000 -1.154) 1.285 4.281 ( -0.566 0.000 1.154) 1.285 4.385 ( -1.389 0.000 -0.111) 1.393 4.385 ( 1.389 0.000 0.111) 1.393 4.405 ( -0.942 0.000 -1.412) 1.697 4.405 ( 0.942 0.000 1.412) 1.697 4.491 ( 0.258 0.000 -0.288) 0.387 4.491 ( -0.258 0.000 0.288) 0.387 4.518 ( 0.206 0.000 -0.260) 0.332 4.518 ( -0.206 0.000 0.260) 0.332 4.636 ( -0.467 0.000 -0.337) 0.576 4.636 ( 0.467 0.000 0.337) 0.576 4.647 ( -0.178 0.000 -1.637) 1.647 4.647 ( 0.178 0.000 1.637) 1.647 4.718 ( 0.782 0.000 -1.054) 1.312 4.718 ( -0.782 0.000 1.054) 1.312 4.744 ( -0.191 0.000 -0.973) 0.992 4.744 ( 0.191 0.000 0.973) 0.992 4.811 ( -0.228 0.000 -1.166) 1.188 4.811 ( 0.228 0.000 1.166) 1.188 4.863 ( -0.030 0.000 -0.660) 0.661 4.863 ( 0.030 0.000 0.660) 0.661 5.110 ( -0.574 0.000 -1.051) 1.198 5.110 ( 0.574 0.000 1.051) 1.198 5.377 ( 1.315 0.000 -0.726) 1.503 5.377 ( -1.315 0.000 0.726) 1.503 11.452 ( -0.580 0.000 -0.545) 0.796 11.452 ( 0.580 0.000 0.545) 0.796 11.735 ( -0.285 0.000 -0.882) 0.927 11.735 ( 0.285 0.000 0.882) 0.927 12.073 ( 3.261 0.000 -4.007) 5.166 12.073 ( -3.261 0.000 4.007) 5.166 12.478 ( -0.639 0.000 0.049) 0.641 12.478 ( 0.639 0.000 -0.049) 0.641 13.522 ( 0.213 0.000 -0.299) 0.368 13.522 ( -0.213 0.000 0.299) 0.368 13.666 ( 0.040 0.000 -0.143) 0.148 13.666 ( -0.040 0.000 0.143) 0.148 13.927 ( 0.392 0.000 -0.812) 0.901 13.927 ( -0.392 0.000 0.812) 0.901 15.228 ( 0.401 0.000 -0.458) 0.609 15.228 ( -0.401 0.000 0.458) 0.609 17.302 ( 0.907 0.000 -1.307) 1.591 17.302 ( -0.907 0.000 1.307) 1.591 17.612 ( 4.432 0.000 -1.639) 4.725 17.612 ( -4.432 0.000 1.639) 4.725 36.242 ( -0.042 0.000 -0.045) 0.062 36.242 ( 0.042 0.000 0.045) 0.062 36.580 ( 0.174 0.000 -0.245) 0.301 36.580 ( -0.174 0.000 0.245) 0.301 ======================= Grid point 47 (25/28) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.113 1.551 -4.899) 5.140 0.523 ( -0.113 1.551 4.899) 5.140 0.624 ( 1.565 -1.564 -8.872) 9.144 0.624 ( -1.565 -1.564 8.872) 9.144 0.714 ( -1.638 -1.169 -2.511) 3.218 0.714 ( 1.638 -1.169 2.511) 3.218 0.725 ( 0.551 -0.456 -3.269) 3.347 0.725 ( -0.551 -0.456 3.269) 3.347 0.866 ( -1.565 2.370 -3.476) 4.488 0.866 ( 1.565 2.370 3.476) 4.488 0.966 ( -0.665 -2.060 -1.318) 2.535 0.966 ( 0.665 -2.060 1.318) 2.535 0.984 ( 0.784 0.601 -1.486) 1.784 0.984 ( -0.784 0.601 1.486) 1.784 1.036 ( -0.323 1.735 -0.847) 1.958 1.036 ( 0.323 1.735 0.847) 1.958 1.057 ( 1.787 -0.012 -2.166) 2.809 1.057 ( -1.787 -0.012 2.166) 2.809 1.251 ( -0.601 0.257 -0.857) 1.078 1.251 ( 0.601 0.257 0.857) 1.078 1.271 ( -0.355 -0.780 -0.757) 1.144 1.271 ( 0.355 -0.780 0.757) 1.144 1.318 ( 0.007 1.555 -1.064) 1.884 1.318 ( -0.007 1.555 1.064) 1.884 1.382 ( 0.072 0.138 -0.223) 0.272 1.382 ( -0.072 0.138 0.223) 0.272 1.397 ( -0.712 -0.837 -1.279) 1.686 1.397 ( 0.712 -0.837 1.279) 1.686 1.432 ( -0.273 -0.097 -0.858) 0.905 1.432 ( 0.273 -0.097 0.858) 0.905 1.449 ( -0.314 -1.057 -1.035) 1.512 1.449 ( 0.314 -1.057 1.035) 1.512 1.461 ( 0.135 -1.064 -0.264) 1.105 1.461 ( -0.135 -1.064 0.264) 1.105 1.489 ( -0.288 -0.692 -0.483) 0.891 1.489 ( 0.288 -0.692 0.483) 0.891 1.504 ( 0.256 1.950 -1.192) 2.299 1.504 ( -0.256 1.950 1.192) 2.299 1.545 ( -0.461 0.581 -2.187) 2.309 1.545 ( 0.461 0.581 2.187) 2.309 1.554 ( -0.048 -0.285 -0.600) 0.666 1.554 ( 0.048 -0.285 0.600) 0.666 1.570 ( -0.634 0.251 -0.198) 0.710 1.570 ( 0.634 0.251 0.198) 0.710 1.578 ( -0.619 -0.714 -2.152) 2.350 1.578 ( 0.619 -0.714 2.152) 2.350 1.632 ( 0.003 0.148 -0.369) 0.398 1.632 ( -0.003 0.148 0.369) 0.398 1.681 ( 0.074 1.063 -0.338) 1.118 1.681 ( -0.074 1.063 0.338) 1.118 1.730 ( -0.646 -0.250 -1.613) 1.755 1.730 ( 0.646 -0.250 1.613) 1.755 1.753 ( -0.384 -0.640 -1.027) 1.269 1.753 ( 0.384 -0.640 1.027) 1.269 1.773 ( 0.062 -0.300 -0.840) 0.895 1.773 ( -0.062 -0.300 0.840) 0.895 1.831 ( 0.083 0.934 -0.782) 1.221 1.831 ( -0.083 0.934 0.782) 1.221 1.851 ( 0.084 -0.771 -0.575) 0.965 1.851 ( -0.084 -0.771 0.575) 0.965 1.905 ( -0.066 0.185 -0.113) 0.227 1.905 ( 0.066 0.185 0.113) 0.227 2.037 ( 0.245 -0.116 -0.226) 0.353 2.037 ( -0.245 -0.116 0.226) 0.353 2.061 ( -0.025 -0.484 -0.110) 0.497 2.061 ( 0.025 -0.484 0.110) 0.497 2.104 ( -0.264 -0.135 -0.080) 0.307 2.104 ( 0.264 -0.135 0.080) 0.307 2.155 ( 0.088 -0.443 -0.339) 0.565 2.155 ( -0.088 -0.443 0.339) 0.565 2.184 ( 0.070 -0.215 -0.280) 0.360 2.184 ( -0.070 -0.215 0.280) 0.360 2.339 ( 0.071 0.295 -0.071) 0.311 2.339 ( -0.071 0.295 0.071) 0.311 2.458 ( 0.118 1.034 -1.638) 1.940 2.458 ( -0.118 1.034 1.638) 1.940 2.473 ( -0.160 0.212 -1.669) 1.690 2.473 ( 0.160 0.212 1.669) 1.690 2.503 ( 0.400 0.553 -1.401) 1.558 2.503 ( -0.400 0.553 1.401) 1.558 2.531 ( 0.493 -1.382 -1.082) 1.823 2.531 ( -0.493 -1.382 1.082) 1.823 2.589 ( 0.073 0.557 -0.428) 0.706 2.589 ( -0.073 0.557 0.428) 0.706 2.599 ( 0.142 0.162 -0.621) 0.658 2.599 ( -0.142 0.162 0.621) 0.658 2.621 ( 0.125 -0.007 -0.418) 0.437 2.621 ( -0.125 -0.007 0.418) 0.437 2.745 ( 0.217 0.138 -1.244) 1.270 2.745 ( -0.217 0.138 1.244) 1.270 2.793 ( 0.053 -0.677 -0.706) 0.980 2.793 ( -0.053 -0.677 0.706) 0.980 2.821 ( -0.092 -0.441 -0.882) 0.990 2.821 ( 0.092 -0.441 0.882) 0.990 2.896 ( -0.610 0.321 -0.345) 0.770 2.896 ( 0.610 0.321 0.345) 0.770 2.912 ( -0.176 -0.147 -1.101) 1.124 2.912 ( 0.176 -0.147 1.101) 1.124 2.960 ( 0.684 0.058 -0.946) 1.169 2.960 ( -0.684 0.058 0.946) 1.169 3.068 ( 0.199 1.268 -0.963) 1.605 3.068 ( -0.199 1.268 0.963) 1.605 3.099 ( 0.616 -1.469 -1.303) 2.058 3.099 ( -0.616 -1.469 1.303) 2.058 3.166 ( 0.064 -0.082 -0.131) 0.167 3.166 ( -0.064 -0.082 0.131) 0.167 3.265 ( 1.123 1.194 -1.750) 2.398 3.265 ( -1.123 1.194 1.750) 2.398 3.289 ( 0.574 -1.314 -0.847) 1.666 3.289 ( -0.574 -1.314 0.847) 1.666 3.327 ( -0.431 0.342 -2.155) 2.224 3.327 ( 0.431 0.342 2.155) 2.224 3.359 ( -0.266 -0.535 -1.394) 1.516 3.359 ( 0.266 -0.535 1.394) 1.516 3.432 ( 0.062 -0.556 -0.807) 0.982 3.432 ( -0.062 -0.556 0.807) 0.982 3.481 ( -0.716 2.643 -0.233) 2.748 3.481 ( 0.716 2.643 0.233) 2.748 3.508 ( 0.605 -0.259 -1.294) 1.452 3.508 ( -0.605 -0.259 1.294) 1.452 3.542 ( -0.254 -0.265 -0.247) 0.442 3.542 ( 0.254 -0.265 0.247) 0.442 3.563 ( -0.380 -1.549 -1.023) 1.895 3.563 ( 0.380 -1.549 1.023) 1.895 3.599 ( 0.073 -0.372 -0.272) 0.466 3.599 ( -0.073 -0.372 0.272) 0.466 3.657 ( 0.104 1.476 -0.459) 1.549 3.657 ( -0.104 1.476 0.459) 1.549 3.676 ( 0.327 1.065 -1.144) 1.597 3.676 ( -0.327 1.065 1.144) 1.597 3.730 ( 0.562 -0.578 -0.787) 1.127 3.730 ( -0.562 -0.578 0.787) 1.127 3.748 ( 0.268 1.405 -0.880) 1.679 3.748 ( -0.268 1.405 0.880) 1.679 3.797 ( -0.313 -0.643 -0.711) 1.008 3.797 ( 0.313 -0.643 0.711) 1.008 3.881 ( -0.093 -1.246 -0.790) 1.478 3.881 ( 0.093 -1.246 0.790) 1.478 4.050 ( -1.055 -0.141 -2.685) 2.888 4.050 ( 1.055 -0.141 2.685) 2.888 4.063 ( -0.795 -0.908 -2.074) 2.399 4.063 ( 0.795 -0.908 2.074) 2.399 4.247 ( 0.452 0.206 -0.991) 1.109 4.247 ( -0.452 0.206 0.991) 1.109 4.392 ( 0.037 0.093 -0.127) 0.162 4.392 ( -0.037 0.093 0.127) 0.162 4.433 ( -0.219 -0.340 -0.390) 0.562 4.433 ( 0.219 -0.340 0.390) 0.562 4.471 ( -0.398 0.792 -0.510) 1.023 4.471 ( 0.398 0.792 0.510) 1.023 4.551 ( 0.096 -0.099 -0.411) 0.433 4.551 ( -0.096 -0.099 0.411) 0.433 4.638 ( -0.004 0.105 -0.160) 0.191 4.638 ( 0.004 0.105 0.160) 0.191 4.661 ( -0.156 -0.548 -0.421) 0.709 4.661 ( 0.156 -0.548 0.421) 0.709 4.706 ( 0.172 3.165 -0.908) 3.297 4.706 ( -0.172 3.165 0.908) 3.297 4.764 ( 0.004 -0.710 -0.322) 0.779 4.764 ( -0.004 -0.710 0.322) 0.779 4.805 ( -1.066 -1.213 -0.330) 1.648 4.805 ( 1.066 -1.213 0.330) 1.648 4.830 ( -0.693 -0.480 -0.161) 0.859 4.830 ( 0.693 -0.480 0.161) 0.859 5.066 ( -0.452 -0.194 -0.392) 0.629 5.066 ( 0.452 -0.194 0.392) 0.629 5.411 ( 0.169 0.167 -0.728) 0.766 5.411 ( -0.169 0.167 0.728) 0.766 11.387 ( -0.155 -0.000 -0.077) 0.174 11.387 ( 0.155 -0.000 0.077) 0.174 11.874 ( -0.394 -2.052 -2.319) 3.122 11.874 ( 0.394 -2.052 2.319) 3.122 12.101 ( 0.854 1.289 -1.338) 2.045 12.101 ( -0.854 1.289 1.338) 2.045 12.501 ( -0.072 -0.080 -0.331) 0.348 12.501 ( 0.072 -0.080 0.331) 0.348 13.510 ( 0.082 0.029 -0.158) 0.181 13.510 ( -0.082 0.029 0.158) 0.181 13.667 ( 0.043 -0.013 -0.054) 0.071 13.667 ( -0.043 -0.013 0.054) 0.071 13.922 ( 0.272 -0.042 -0.369) 0.461 13.922 ( -0.272 -0.042 0.369) 0.461 15.227 ( 0.119 0.010 -0.286) 0.310 15.227 ( -0.119 0.010 0.286) 0.310 17.295 ( 0.450 0.608 -0.841) 1.131 17.295 ( -0.450 0.608 0.841) 1.131 17.576 ( -0.396 0.033 -1.920) 1.961 17.576 ( 0.396 0.033 1.920) 1.961 36.246 ( -0.025 0.004 -0.013) 0.028 36.246 ( 0.025 0.004 0.013) 0.028 36.575 ( 0.058 -0.015 -0.099) 0.116 36.575 ( -0.058 -0.015 0.099) 0.116 ======================= Grid point 49 (26/28) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 3.479 3.864 -7.116) 8.813 0.578 ( 3.997 1.428 -5.523) 6.966 0.590 ( 2.691 -4.423 -0.617) 5.214 0.636 ( -0.214 -3.775 -1.156) 3.954 0.695 ( -1.030 -0.701 -1.775) 2.169 0.719 ( -1.986 -2.263 2.110) 3.676 0.762 ( 2.246 2.621 4.862) 5.962 0.795 ( 0.977 2.077 1.940) 3.005 0.823 ( 0.312 0.221 0.972) 1.044 0.887 ( -1.501 0.692 -2.245) 2.788 0.924 ( -0.252 -0.713 -4.020) 4.090 0.950 ( 0.206 0.468 -1.653) 1.730 0.974 ( -0.597 0.903 0.702) 1.290 0.991 ( -1.408 0.830 -0.590) 1.738 1.011 ( -2.343 0.192 -1.841) 2.987 1.015 ( -0.124 -0.801 1.178) 1.430 1.058 ( 1.057 0.811 0.297) 1.365 1.070 ( 0.638 -0.271 0.052) 0.695 1.228 ( 0.056 0.178 -1.846) 1.855 1.237 ( -0.148 -0.395 -3.303) 3.330 1.259 ( 0.301 0.115 -0.596) 0.678 1.271 ( 0.129 -0.854 -0.886) 1.237 1.313 ( -0.465 1.922 -0.446) 2.027 1.328 ( -0.228 1.086 0.897) 1.427 1.357 ( -1.663 0.512 -1.736) 2.457 1.371 ( -0.925 0.289 -0.388) 1.044 1.377 ( -0.299 0.351 -1.318) 1.397 1.400 ( -1.107 -0.848 -1.334) 1.930 1.413 ( -0.328 -0.304 -1.316) 1.390 1.431 ( -0.453 -0.802 0.083) 0.924 1.448 ( -0.104 -0.886 -0.472) 1.009 1.452 ( -0.590 -0.234 0.876) 1.082 1.462 ( 0.360 0.063 0.290) 0.467 1.463 ( 0.862 -1.733 -0.730) 2.069 1.481 ( -0.718 0.216 -0.882) 1.157 1.490 ( -0.989 -0.635 -0.340) 1.224 1.500 ( 0.076 1.338 -0.141) 1.347 1.509 ( -1.016 1.240 0.560) 1.698 1.512 ( -0.653 0.414 0.160) 0.790 1.540 ( -0.673 -0.962 -0.507) 1.279 1.541 ( -1.497 -0.981 0.081) 1.792 1.555 ( -0.156 0.069 0.674) 0.695 1.571 ( 0.120 -0.240 0.380) 0.465 1.579 ( 0.464 0.152 -0.028) 0.489 1.592 ( 0.131 0.294 1.242) 1.283 1.611 ( -0.045 -0.791 0.761) 1.099 1.647 ( 1.250 0.860 1.944) 2.466 1.654 ( 1.277 0.111 1.376) 1.881 1.687 ( -0.004 1.213 0.649) 1.375 1.693 ( 0.250 0.948 1.553) 1.836 1.718 ( 0.503 -0.265 1.153) 1.286 1.732 ( -0.107 -1.847 -0.109) 1.853 1.761 ( 0.066 0.159 1.022) 1.036 1.765 ( 0.385 -0.183 2.436) 2.473 1.788 ( 0.219 -0.042 1.920) 1.933 1.794 ( 0.309 -0.660 2.431) 2.538 1.826 ( 0.323 1.268 -0.821) 1.545 1.835 ( -0.212 0.872 0.673) 1.121 1.846 ( 0.262 -0.088 -0.864) 0.907 1.853 ( 0.289 -0.998 -0.449) 1.132 1.897 ( -0.618 0.031 -0.068) 0.623 1.901 ( -0.403 -0.179 -0.383) 0.584 2.040 ( -0.023 -0.035 0.866) 0.867 2.046 ( 0.512 -0.598 0.263) 0.830 2.061 ( -0.383 -0.098 0.969) 1.047 2.066 ( -0.300 -0.498 1.126) 1.267 2.099 ( 0.250 0.275 -0.797) 0.880 2.105 ( 0.598 -0.222 -1.197) 1.356 2.155 ( 0.140 -0.390 0.251) 0.484 2.159 ( 0.255 -0.732 0.136) 0.787 2.205 ( 1.420 -0.089 1.256) 1.898 2.208 ( 1.264 -0.284 1.667) 2.111 2.332 ( -0.445 0.349 -0.193) 0.598 2.333 ( -0.365 0.289 -0.429) 0.633 2.446 ( 0.238 0.525 -1.250) 1.377 2.453 ( -0.162 -0.202 -1.189) 1.217 2.475 ( -0.029 1.771 1.258) 2.172 2.489 ( 0.211 0.749 0.451) 0.899 2.501 ( 0.652 -0.162 -0.295) 0.734 2.512 ( -0.156 0.139 0.822) 0.848 2.528 ( 0.296 -1.288 -0.698) 1.494 2.534 ( -0.172 -0.971 0.428) 1.075 2.585 ( -0.133 0.127 -0.575) 0.604 2.590 ( -0.010 0.036 -0.647) 0.648 2.592 ( -0.391 0.496 0.734) 0.969 2.596 ( -0.023 -0.015 -0.262) 0.264 2.626 ( 0.286 0.813 0.756) 1.146 2.632 ( -0.108 0.587 1.424) 1.544 2.737 ( 0.188 0.145 -1.023) 1.050 2.753 ( -0.236 -0.135 1.065) 1.099 2.783 ( -0.485 -0.086 -0.488) 0.693 2.793 ( -0.600 -0.519 0.250) 0.832 2.803 ( -0.461 -0.289 -1.306) 1.415 2.826 ( 0.142 -1.877 -0.273) 1.902 2.885 ( -0.419 0.840 0.257) 0.973 2.898 ( -0.529 -0.275 0.263) 0.652 2.910 ( 0.616 0.786 0.221) 1.023 2.929 ( 0.627 -0.629 1.040) 1.367 2.958 ( -0.770 0.059 1.209) 1.434 2.964 ( 0.170 -0.298 0.026) 0.344 3.051 ( -0.284 2.088 -1.383) 2.520 3.071 ( 0.262 0.500 -1.046) 1.189 3.091 ( -0.016 -1.487 -1.065) 1.829 3.097 ( -0.929 -1.079 1.022) 1.752 3.174 ( 0.479 -0.007 0.679) 0.831 3.176 ( 0.588 -0.163 0.710) 0.936 3.259 ( 0.304 1.068 -1.736) 2.061 3.261 ( -0.843 1.142 0.040) 1.420 3.282 ( -0.810 -0.393 0.451) 1.007 3.293 ( 0.042 -1.306 0.163) 1.316 3.298 ( 0.361 0.513 -1.954) 2.052 3.320 ( 0.127 -1.645 -2.650) 3.122 3.366 ( 0.135 0.370 1.335) 1.392 3.377 ( 0.444 -0.063 0.392) 0.596 3.422 ( -0.311 -0.101 -0.518) 0.613 3.433 ( -0.464 -0.967 0.241) 1.099 3.465 ( -0.773 2.654 -0.042) 2.765 3.493 ( 0.381 1.721 -0.373) 1.802 3.502 ( 0.277 -0.703 -1.247) 1.458 3.509 ( -0.740 -0.452 1.132) 1.426 3.532 ( -0.074 -0.393 -1.024) 1.100 3.535 ( -0.299 0.070 -0.697) 0.762 3.566 ( 0.387 -0.730 0.672) 1.065 3.582 ( 0.292 -1.483 0.743) 1.684 3.594 ( -0.125 -0.075 -0.484) 0.506 3.602 ( 0.293 -0.644 0.454) 0.841 3.654 ( -0.155 1.755 -0.040) 1.762 3.658 ( -0.064 0.630 -0.330) 0.714 3.674 ( 0.122 1.393 0.080) 1.401 3.683 ( 0.029 1.043 0.121) 1.050 3.722 ( -0.541 0.413 -0.111) 0.690 3.737 ( -0.738 0.614 0.141) 0.971 3.746 ( 1.241 -0.221 -0.225) 1.281 3.752 ( -0.470 0.857 1.632) 1.902 3.792 ( -0.027 0.394 0.112) 0.410 3.814 ( 0.497 -1.417 0.765) 1.685 3.865 ( -0.370 -0.556 -1.291) 1.454 3.885 ( -0.065 -2.126 -0.042) 2.127 4.008 ( -0.915 0.292 -2.160) 2.364 4.025 ( -1.312 -1.458 -1.787) 2.653 4.093 ( 0.413 0.006 2.571) 2.604 4.098 ( 0.213 -0.394 2.930) 2.964 4.253 ( 1.208 0.371 -0.420) 1.332 4.258 ( 0.310 0.031 1.302) 1.339 4.376 ( -0.614 0.222 -1.184) 1.353 4.382 ( -0.577 -0.250 -0.605) 0.873 4.430 ( -0.374 0.599 0.250) 0.749 4.441 ( -0.138 -0.181 -0.056) 0.234 4.465 ( 0.716 0.304 -0.162) 0.795 4.475 ( 0.184 -0.321 -0.428) 0.566 4.543 ( -1.046 0.234 0.409) 1.147 4.546 ( -1.334 0.100 0.636) 1.482 4.634 ( 0.007 0.311 -0.238) 0.391 4.638 ( 0.087 0.157 -0.165) 0.244 4.663 ( 0.864 -0.166 -0.021) 0.880 4.669 ( 0.335 -0.155 0.004) 0.369 4.702 ( 0.091 3.241 -0.039) 3.242 4.714 ( 0.252 2.301 0.286) 2.332 4.748 ( -1.184 -0.568 0.298) 1.347 4.766 ( -0.378 -1.694 -0.289) 1.760 4.792 ( -0.175 0.371 0.053) 0.413 4.815 ( 0.124 -1.703 -0.292) 1.732 4.830 ( 0.529 -0.171 0.666) 0.868 4.850 ( 1.124 -1.205 -0.015) 1.648 5.065 ( 0.261 0.682 0.779) 1.068 5.083 ( 0.734 -0.977 0.984) 1.568 5.399 ( 0.119 0.538 -2.007) 2.081 5.407 ( -0.293 -0.223 -0.640) 0.739 11.396 ( 0.514 0.355 1.363) 1.500 11.404 ( 0.884 -0.366 1.483) 1.765 11.842 ( -0.948 0.578 -2.876) 3.083 11.888 ( -1.895 -3.843 0.162) 4.288 12.053 ( -1.612 2.238 -2.359) 3.629 12.080 ( -0.333 -0.064 -3.319) 3.336 12.493 ( -0.728 0.317 0.044) 0.795 12.500 ( -0.778 -0.239 0.539) 0.976 13.513 ( 0.391 0.046 -0.061) 0.398 13.513 ( 0.214 0.010 0.249) 0.329 13.667 ( 0.081 -0.005 -0.177) 0.195 13.667 ( 0.170 -0.033 -0.289) 0.336 13.922 ( -0.156 0.008 0.356) 0.389 13.924 ( 0.358 -0.109 -0.397) 0.545 15.226 ( 0.160 0.083 -0.201) 0.271 15.228 ( -0.116 -0.058 0.340) 0.364 17.297 ( 0.726 0.586 -0.616) 1.118 17.299 ( -0.023 0.469 0.666) 0.815 17.570 ( 0.348 1.897 0.328) 1.956 17.614 ( -0.225 -2.167 4.300) 4.820 36.245 ( -0.017 0.050 -0.198) 0.204 36.246 ( 0.012 -0.032 -0.189) 0.192 36.576 ( 0.034 -0.001 0.157) 0.161 36.576 ( -0.014 -0.018 0.249) 0.250 ======================= Grid point 50 (27/28) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 2.482 4.259 -9.681) 10.864 0.554 ( 3.273 -0.984 -11.378) 11.880 0.579 ( -1.515 -4.362 -8.342) 9.535 0.588 ( -2.431 -3.455 -1.692) 4.551 0.680 ( 1.139 0.356 2.518) 2.786 0.727 ( -1.197 -3.381 5.492) 6.560 0.781 ( -0.205 2.749 0.006) 2.756 0.805 ( 0.630 1.664 0.307) 1.806 0.865 ( 1.153 2.472 2.568) 3.747 0.897 ( -0.858 1.468 4.677) 4.977 0.918 ( 1.846 -1.512 -3.515) 4.249 0.937 ( 0.265 -2.760 1.613) 3.207 0.948 ( -1.344 1.518 -2.115) 2.930 0.959 ( 0.429 -0.563 -0.335) 0.783 1.012 ( 0.680 1.875 1.695) 2.617 1.037 ( 0.278 -0.102 1.329) 1.361 1.068 ( -0.138 0.438 -0.054) 0.462 1.076 ( 0.094 -0.107 -0.047) 0.149 1.211 ( 0.591 0.494 -2.488) 2.605 1.222 ( 0.225 -0.244 -1.265) 1.308 1.255 ( -0.014 0.382 -0.530) 0.654 1.266 ( 0.371 -0.569 -0.777) 1.032 1.284 ( -1.236 1.503 -0.850) 2.123 1.316 ( -1.183 -0.103 -2.131) 2.439 1.325 ( -0.643 0.905 -0.197) 1.128 1.351 ( -0.874 -0.601 -1.925) 2.198 1.354 ( -0.279 1.103 -0.343) 1.188 1.366 ( -1.077 0.298 -0.751) 1.346 1.398 ( -0.656 -0.038 -0.760) 1.004 1.410 ( -1.270 -0.373 -0.644) 1.472 1.442 ( -0.404 -0.079 -0.129) 0.431 1.447 ( -1.352 1.053 1.589) 2.337 1.453 ( -0.334 0.288 -0.521) 0.683 1.457 ( -0.297 0.306 -0.666) 0.790 1.472 ( -0.151 -0.877 0.796) 1.194 1.483 ( -0.531 -0.354 -0.526) 0.827 1.490 ( -0.414 0.964 -0.421) 1.130 1.500 ( -0.835 0.695 -0.218) 1.108 1.514 ( -0.104 -0.606 -1.298) 1.436 1.518 ( 0.848 -0.699 0.889) 1.413 1.537 ( -0.661 -1.911 0.786) 2.169 1.553 ( -0.974 -2.280 0.258) 2.493 1.570 ( -0.550 0.302 -0.541) 0.829 1.575 ( -0.436 0.236 -0.384) 0.627 1.593 ( 0.263 -0.003 -0.173) 0.315 1.601 ( -0.315 -0.845 -0.476) 1.020 1.683 ( 0.952 0.971 1.163) 1.790 1.686 ( 0.731 0.583 1.204) 1.524 1.697 ( -0.175 0.467 1.961) 2.023 1.706 ( 0.380 0.369 0.335) 0.627 1.734 ( -0.049 -0.668 0.540) 0.861 1.745 ( 0.725 -0.820 0.667) 1.281 1.769 ( -0.036 0.622 -0.177) 0.648 1.779 ( -0.148 -0.078 -0.042) 0.173 1.808 ( -0.281 -0.084 1.389) 1.419 1.811 ( -0.072 -0.227 0.872) 0.904 1.839 ( 0.257 0.364 -0.332) 0.555 1.844 ( 0.023 0.070 0.200) 0.213 1.852 ( 0.823 0.805 1.782) 2.122 1.860 ( 0.770 0.065 1.631) 1.805 1.889 ( -0.690 -0.296 0.685) 1.016 1.891 ( 0.046 -0.399 -0.673) 0.783 2.050 ( 0.048 -0.299 1.085) 1.126 2.055 ( 0.391 -0.616 0.079) 0.734 2.069 ( -0.194 -0.017 1.332) 1.346 2.073 ( -0.204 -0.281 1.000) 1.058 2.098 ( 0.252 0.288 -0.135) 0.406 2.104 ( 0.553 -0.138 -0.929) 1.090 2.163 ( 0.151 -0.451 0.772) 0.907 2.166 ( 0.361 -0.661 0.130) 0.764 2.235 ( 0.887 -0.049 0.338) 0.951 2.237 ( 0.719 -0.244 0.447) 0.881 2.324 ( -0.224 0.308 -0.167) 0.416 2.325 ( -0.280 0.262 -0.063) 0.388 2.436 ( -0.207 0.090 -1.034) 1.058 2.439 ( -0.428 -0.141 -0.944) 1.046 2.483 ( -0.271 1.318 1.060) 1.713 2.493 ( 0.269 0.926 -0.386) 1.039 2.509 ( 0.185 -0.640 0.186) 0.692 2.514 ( 0.113 -0.691 0.191) 0.726 2.528 ( 0.217 -0.064 -0.342) 0.411 2.533 ( -0.125 -0.360 -0.119) 0.399 2.580 ( -0.237 -0.087 0.110) 0.276 2.582 ( -0.106 -0.321 -0.594) 0.684 2.597 ( -0.054 0.405 0.891) 0.980 2.600 ( 0.270 0.198 0.366) 0.496 2.638 ( 0.828 1.236 -0.382) 1.536 2.643 ( -0.270 1.303 1.214) 1.801 2.735 ( 0.433 0.623 -0.232) 0.793 2.755 ( -0.388 0.717 0.107) 0.822 2.771 ( -0.370 -0.034 -0.205) 0.424 2.782 ( -0.588 -0.776 -0.435) 1.066 2.794 ( 0.212 -1.259 0.388) 1.334 2.821 ( 0.156 -2.735 -1.113) 2.957 2.893 ( 0.366 1.042 1.290) 1.698 2.901 ( -0.140 -0.026 1.299) 1.307 2.924 ( 0.725 0.869 0.337) 1.181 2.944 ( -0.217 -1.017 0.491) 1.150 2.963 ( 0.061 -0.032 1.339) 1.341 2.970 ( 0.284 -0.421 1.199) 1.302 3.033 ( 0.061 2.371 -2.186) 3.226 3.056 ( -0.241 0.058 -2.007) 2.022 3.083 ( -0.302 -0.925 0.240) 1.003 3.094 ( -0.364 -1.337 0.281) 1.414 3.189 ( 0.380 0.110 0.707) 0.810 3.191 ( 0.355 -0.089 0.537) 0.650 3.241 ( 0.315 1.611 -1.601) 2.293 3.254 ( -0.283 0.182 0.309) 0.457 3.272 ( -1.146 0.590 -0.573) 1.411 3.278 ( -0.531 0.351 -1.371) 1.512 3.302 ( 0.883 -1.249 -0.614) 1.648 3.306 ( -0.079 -1.633 0.127) 1.640 3.378 ( 0.463 0.347 0.239) 0.626 3.382 ( 0.409 0.501 -0.347) 0.735 3.416 ( -0.118 -0.644 -0.022) 0.655 3.425 ( -0.487 -0.976 -0.199) 1.109 3.458 ( -0.463 2.118 0.483) 2.221 3.481 ( -0.563 1.302 -1.418) 2.006 3.497 ( 0.410 -1.100 -0.829) 1.438 3.506 ( -0.828 -1.055 0.729) 1.526 3.525 ( 0.367 0.430 -0.876) 1.043 3.527 ( -0.437 0.491 0.245) 0.701 3.572 ( 0.128 -1.304 -0.401) 1.370 3.578 ( -0.232 -1.558 -0.796) 1.765 3.601 ( 0.204 1.042 1.620) 1.937 3.619 ( 0.631 -0.768 1.162) 1.529 3.645 ( -0.144 1.085 -1.438) 1.807 3.656 ( 0.013 1.043 0.163) 1.056 3.668 ( -0.919 0.567 -0.142) 1.089 3.678 ( -0.086 1.685 -0.851) 1.890 3.714 ( -0.341 1.443 0.212) 1.498 3.724 ( -0.680 0.594 -0.186) 0.922 3.764 ( 0.369 -0.169 1.124) 1.196 3.767 ( 0.274 0.347 1.182) 1.262 3.792 ( 0.052 0.506 -0.123) 0.523 3.814 ( -0.815 -1.059 -0.252) 1.360 3.857 ( 0.834 -1.373 -0.729) 1.764 3.880 ( -0.467 -2.789 -0.167) 2.832 3.983 ( -0.458 0.626 -0.817) 1.126 3.991 ( -0.702 -0.154 -1.519) 1.680 4.112 ( -0.506 0.048 1.661) 1.737 4.117 ( -0.080 -0.487 0.765) 0.911 4.273 ( 0.865 0.233 0.413) 0.987 4.276 ( 0.350 -0.021 0.943) 1.006 4.367 ( 0.670 0.275 -0.261) 0.769 4.377 ( 0.193 -0.561 0.675) 0.899 4.417 ( -1.019 0.782 -0.437) 1.357 4.428 ( -0.784 -0.315 -0.890) 1.227 4.480 ( 1.168 -0.069 -0.509) 1.276 4.483 ( 1.035 -0.128 0.279) 1.080 4.526 ( -1.332 0.301 0.287) 1.395 4.530 ( -1.276 -0.016 0.303) 1.311 4.637 ( 0.262 0.354 0.170) 0.472 4.639 ( 0.218 0.256 0.057) 0.341 4.673 ( 0.267 1.942 0.178) 1.969 4.681 ( 0.939 0.676 0.036) 1.157 4.706 ( 0.173 1.407 0.209) 1.433 4.717 ( -0.002 1.163 -0.049) 1.165 4.736 ( -0.745 -0.686 0.515) 1.136 4.754 ( -0.517 -1.333 -0.717) 1.600 4.795 ( 0.139 0.074 0.658) 0.677 4.813 ( 0.040 -0.974 -0.370) 1.042 4.841 ( -0.066 -0.661 0.626) 0.913 4.856 ( 0.128 -1.288 -0.722) 1.482 5.087 ( 0.717 0.638 1.601) 1.866 5.103 ( 0.492 -0.899 0.818) 1.311 5.382 ( 0.497 0.647 -2.007) 2.167 5.392 ( -0.414 -0.312 -0.994) 1.122 11.427 ( 1.005 0.525 2.058) 2.349 11.438 ( 0.831 -0.443 1.973) 2.187 11.779 ( -2.036 0.918 -4.192) 4.749 11.800 ( -3.633 -0.928 -5.115) 6.342 12.051 ( 1.773 0.348 -0.402) 1.851 12.065 ( 0.322 -0.581 0.359) 0.755 12.481 ( -0.547 0.422 -0.067) 0.694 12.489 ( -0.929 -0.244 0.195) 0.980 13.519 ( 0.406 0.048 -0.050) 0.412 13.519 ( 0.202 0.012 0.255) 0.326 13.666 ( 0.083 0.017 -0.189) 0.207 13.667 ( 0.147 -0.032 -0.303) 0.339 13.924 ( -0.114 -0.004 0.376) 0.393 13.925 ( 0.331 -0.128 -0.417) 0.548 15.227 ( 0.194 0.084 -0.180) 0.278 15.229 ( -0.162 -0.059 0.305) 0.350 17.304 ( 0.833 0.476 -0.622) 1.144 17.306 ( -0.053 0.360 0.703) 0.792 17.585 ( 0.962 1.849 0.403) 2.123 17.631 ( -2.455 -2.367 3.104) 4.612 36.243 ( -0.004 0.060 -0.176) 0.186 36.244 ( -0.020 -0.024 -0.206) 0.208 36.578 ( 0.080 0.012 0.082) 0.115 36.579 ( -0.055 -0.011 0.290) 0.295 ======================= Grid point 51 (28/28) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -3.295 0.792 0.781) 3.478 0.436 ( 3.295 0.792 -0.781) 3.478 0.568 ( 4.676 -3.559 -4.920) 7.664 0.568 ( -4.676 -3.559 4.920) 7.664 0.713 ( 1.239 -0.332 -1.333) 1.850 0.713 ( -1.239 -0.332 1.333) 1.850 0.831 ( -1.140 1.414 -3.689) 4.112 0.831 ( 1.140 1.414 3.689) 4.112 0.877 ( 0.230 -0.325 -5.699) 5.713 0.877 ( -0.230 -0.325 5.699) 5.713 0.909 ( 1.077 0.716 -2.481) 2.798 0.909 ( -1.077 0.716 2.481) 2.798 0.981 ( -1.047 -0.088 -0.641) 1.231 0.981 ( 1.047 -0.088 0.641) 1.231 1.032 ( -0.538 0.434 -1.158) 1.348 1.032 ( 0.538 0.434 1.158) 1.348 1.069 ( -0.231 0.136 -0.632) 0.687 1.069 ( 0.231 0.136 0.632) 0.687 1.207 ( 0.874 0.903 -0.402) 1.320 1.207 ( -0.874 0.903 0.402) 1.320 1.258 ( 0.006 -0.185 -1.126) 1.141 1.258 ( -0.006 -0.185 1.126) 1.141 1.285 ( -0.102 0.214 -1.516) 1.535 1.285 ( 0.102 0.214 1.516) 1.535 1.323 ( -0.232 -0.187 -0.840) 0.892 1.323 ( 0.232 -0.187 0.840) 0.892 1.353 ( 0.083 1.140 -0.237) 1.167 1.353 ( -0.083 1.140 0.237) 1.167 1.388 ( -0.354 -0.285 -0.209) 0.500 1.388 ( 0.354 -0.285 0.209) 0.500 1.442 ( 0.069 1.522 -1.091) 1.874 1.442 ( -0.069 1.522 1.091) 1.874 1.453 ( -0.423 0.249 -0.594) 0.771 1.453 ( 0.423 0.249 0.594) 0.771 1.471 ( -0.369 0.563 -0.619) 0.914 1.471 ( 0.369 0.563 0.619) 0.914 1.487 ( -0.360 -1.189 -1.570) 2.002 1.487 ( 0.360 -1.189 1.570) 2.002 1.518 ( 0.398 -0.351 -1.104) 1.224 1.518 ( -0.398 -0.351 1.104) 1.224 1.542 ( -0.189 -2.622 -0.981) 2.806 1.542 ( 0.189 -2.622 0.981) 2.806 1.564 ( 0.008 -0.093 -0.322) 0.335 1.564 ( -0.008 -0.093 0.322) 0.335 1.597 ( -0.009 0.117 -0.373) 0.391 1.597 ( 0.009 0.117 0.373) 0.391 1.696 ( 0.057 0.549 -0.174) 0.579 1.696 ( -0.057 0.549 0.174) 0.579 1.710 ( 0.532 0.297 -1.348) 1.479 1.710 ( -0.532 0.297 1.348) 1.479 1.743 ( -0.093 -0.501 -1.344) 1.438 1.743 ( 0.093 -0.501 1.344) 1.438 1.772 ( -0.271 0.381 -0.471) 0.663 1.772 ( 0.271 0.381 0.471) 0.663 1.814 ( 0.536 -0.100 -0.595) 0.807 1.814 ( -0.536 -0.100 0.595) 0.807 1.837 ( 0.075 0.346 -0.277) 0.450 1.837 ( -0.075 0.346 0.277) 0.450 1.875 ( 0.343 0.133 -0.758) 0.843 1.875 ( -0.343 0.133 0.758) 0.843 1.888 ( 0.471 -0.300 -0.945) 1.097 1.888 ( -0.471 -0.300 0.945) 1.097 2.058 ( 0.275 -0.254 -0.644) 0.745 2.058 ( -0.275 -0.254 0.644) 0.745 2.076 ( 0.072 -0.272 -0.293) 0.406 2.076 ( -0.072 -0.272 0.293) 0.406 2.102 ( 0.132 0.012 -0.577) 0.592 2.102 ( -0.132 0.012 0.577) 0.592 2.170 ( 0.233 -0.523 -0.462) 0.736 2.170 ( -0.233 -0.523 0.462) 0.736 2.242 ( 0.310 -0.083 -0.515) 0.607 2.242 ( -0.310 -0.083 0.515) 0.607 2.323 ( 0.050 0.240 -0.044) 0.249 2.323 ( -0.050 0.240 0.044) 0.249 2.427 ( 0.336 -0.080 -0.547) 0.647 2.427 ( -0.336 -0.080 0.547) 0.647 2.489 ( 0.309 1.117 -1.057) 1.568 2.489 ( -0.309 1.117 1.057) 1.568 2.514 ( 0.174 -1.031 -0.777) 1.303 2.514 ( -0.174 -1.031 0.777) 1.303 2.530 ( -0.074 0.227 -0.234) 0.334 2.530 ( 0.074 0.227 0.234) 0.334 2.578 ( 0.214 -0.263 -0.410) 0.532 2.578 ( -0.214 -0.263 0.410) 0.532 2.603 ( 0.097 0.314 -0.370) 0.495 2.603 ( -0.097 0.314 0.370) 0.495 2.645 ( 0.609 1.383 -0.709) 1.669 2.645 ( -0.609 1.383 0.709) 1.669 2.745 ( -0.460 1.126 -0.447) 1.296 2.745 ( 0.460 1.126 0.447) 1.296 2.771 ( -0.182 -0.528 -0.413) 0.695 2.771 ( 0.182 -0.528 0.413) 0.695 2.809 ( -0.035 -2.284 -1.526) 2.747 2.809 ( 0.035 -2.284 1.526) 2.747 2.908 ( 0.093 0.499 -0.069) 0.512 2.908 ( -0.093 0.499 0.069) 0.512 2.937 ( 0.154 -0.252 -0.595) 0.664 2.937 ( -0.154 -0.252 0.595) 0.664 2.980 ( 0.211 0.400 -1.756) 1.813 2.980 ( -0.211 0.400 1.756) 1.813 3.028 ( -0.404 0.550 -1.707) 1.838 3.028 ( 0.404 0.550 1.707) 1.838 3.088 ( 0.173 -1.167 -0.977) 1.532 3.088 ( -0.173 -1.167 0.977) 1.532 3.196 ( 0.035 0.139 -0.141) 0.201 3.196 ( -0.035 0.139 0.141) 0.201 3.244 ( -0.096 1.861 -0.797) 2.027 3.244 ( 0.096 1.861 0.797) 2.027 3.261 ( -0.370 -0.272 -0.528) 0.700 3.261 ( 0.370 -0.272 0.528) 0.700 3.307 ( 0.652 -1.539 -0.933) 1.914 3.307 ( -0.652 -1.539 0.933) 1.914 3.384 ( 0.038 0.597 -0.167) 0.622 3.384 ( -0.038 0.597 0.167) 0.622 3.417 ( 0.207 -1.113 -0.363) 1.189 3.417 ( -0.207 -1.113 0.363) 1.189 3.461 ( -0.079 1.892 -1.027) 2.154 3.461 ( 0.079 1.892 1.027) 2.154 3.499 ( 0.708 -1.393 -0.976) 1.842 3.499 ( -0.708 -1.393 0.976) 1.842 3.525 ( 0.441 0.716 -0.582) 1.023 3.525 ( -0.441 0.716 0.582) 1.023 3.570 ( 0.131 -1.566 -0.302) 1.601 3.570 ( -0.131 -1.566 0.302) 1.601 3.624 ( -0.274 1.101 -1.951) 2.257 3.624 ( 0.274 1.101 1.951) 2.257 3.643 ( -0.681 -0.590 -1.361) 1.632 3.643 ( 0.681 -0.590 1.361) 1.632 3.666 ( 0.021 2.011 -1.148) 2.316 3.666 ( -0.021 2.011 1.148) 2.316 3.715 ( 0.057 0.774 -0.529) 0.939 3.715 ( -0.057 0.774 0.529) 0.939 3.776 ( 0.638 0.738 -1.149) 1.508 3.776 ( -0.638 0.738 1.149) 1.508 3.796 ( -0.683 -0.548 -0.254) 0.912 3.796 ( 0.683 -0.548 0.254) 0.912 3.868 ( 0.225 -2.565 -0.694) 2.666 3.868 ( -0.225 -2.565 0.694) 2.666 3.977 ( 0.297 0.746 -0.694) 1.061 3.977 ( -0.297 0.746 0.694) 1.061 4.117 ( 0.184 -0.452 -0.718) 0.868 4.117 ( -0.184 -0.452 0.718) 0.868 4.282 ( 0.346 0.060 -0.614) 0.707 4.282 ( -0.346 0.060 0.614) 0.707 4.386 ( -1.015 0.066 -0.076) 1.020 4.386 ( 1.015 0.066 0.076) 1.020 4.405 ( -0.535 -0.056 -0.798) 0.962 4.405 ( 0.535 -0.056 0.798) 0.962 4.494 ( -0.274 0.276 0.001) 0.389 4.494 ( 0.274 0.276 -0.001) 0.389 4.515 ( -0.132 -0.162 -0.304) 0.369 4.515 ( 0.132 -0.162 0.304) 0.369 4.641 ( 0.042 0.055 -0.143) 0.158 4.641 ( -0.042 0.055 0.143) 0.158 4.683 ( 0.309 3.008 -1.243) 3.270 4.683 ( -0.309 3.008 1.243) 3.270 4.713 ( 0.127 -0.301 -0.470) 0.572 4.713 ( -0.127 -0.301 0.470) 0.572 4.739 ( -0.168 -0.941 -0.964) 1.358 4.739 ( 0.168 -0.941 0.964) 1.358 4.806 ( 0.224 -0.259 -1.221) 1.269 4.806 ( -0.224 -0.259 1.221) 1.269 4.847 ( -0.019 -1.055 -0.962) 1.428 4.847 ( 0.019 -1.055 0.962) 1.428 5.107 ( -0.231 -0.157 -0.567) 0.632 5.107 ( 0.231 -0.157 0.567) 0.632 5.380 ( 0.502 0.168 -0.358) 0.639 5.380 ( -0.502 0.168 0.358) 0.639 11.454 ( -0.318 0.109 -0.265) 0.428 11.454 ( 0.318 0.109 0.265) 0.428 11.737 ( -0.151 0.104 -0.438) 0.475 11.737 ( 0.151 0.104 0.438) 0.475 12.070 ( 1.562 -0.164 -1.953) 2.506 12.070 ( -1.562 -0.164 1.953) 2.506 12.479 ( -0.309 0.034 0.013) 0.311 12.479 ( 0.309 0.034 -0.013) 0.311 13.522 ( 0.109 0.032 -0.152) 0.190 13.522 ( -0.109 0.032 0.152) 0.190 13.666 ( 0.017 0.005 -0.070) 0.073 13.666 ( -0.017 0.005 0.070) 0.073 13.926 ( 0.202 -0.073 -0.410) 0.463 13.926 ( -0.202 -0.073 0.410) 0.463 15.229 ( 0.199 0.010 -0.229) 0.303 15.229 ( -0.199 0.010 0.229) 0.303 17.309 ( 0.476 0.381 -0.684) 0.917 17.309 ( -0.476 0.381 0.684) 0.917 17.608 ( 0.601 -0.207 -0.394) 0.748 17.608 ( -0.601 -0.207 0.394) 0.748 36.242 ( -0.019 0.023 -0.024) 0.038 36.242 ( 0.019 0.023 0.024) 0.038 36.580 ( 0.088 0.004 -0.123) 0.151 36.580 ( -0.088 0.004 0.123) 0.151 =================== 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 3/13824 10.0 9.448 12.970 25.100 0.000 -1.410 0.000 3/13824 20.0 2.538 3.440 6.847 0.000 -0.176 0.000 3/13824 30.0 1.352 1.821 3.650 0.000 -0.051 0.000 3/13824 40.0 0.910 1.226 2.455 0.000 -0.021 0.000 3/13824 50.0 0.686 0.925 1.848 0.000 -0.011 0.000 3/13824 60.0 0.552 0.746 1.485 0.000 -0.007 0.000 3/13824 70.0 0.463 0.626 1.244 0.000 -0.005 0.000 3/13824 80.0 0.399 0.541 1.071 0.000 -0.003 0.000 3/13824 90.0 0.351 0.476 0.942 0.000 -0.003 0.000 3/13824 100.0 0.314 0.426 0.841 0.000 -0.002 0.000 3/13824 110.0 0.284 0.386 0.761 0.000 -0.002 0.000 3/13824 120.0 0.259 0.352 0.694 0.000 -0.001 0.000 3/13824 130.0 0.239 0.325 0.639 0.000 -0.001 0.000 3/13824 140.0 0.221 0.301 0.592 0.000 -0.001 0.000 3/13824 150.0 0.206 0.281 0.551 0.000 -0.001 0.000 3/13824 160.0 0.193 0.263 0.516 0.000 -0.001 0.000 3/13824 170.0 0.182 0.247 0.485 0.000 -0.001 0.000 3/13824 180.0 0.171 0.233 0.458 0.000 -0.001 0.000 3/13824 190.0 0.162 0.221 0.433 0.000 -0.001 0.000 3/13824 200.0 0.154 0.210 0.412 0.000 -0.001 0.000 3/13824 210.0 0.147 0.200 0.392 0.000 -0.001 0.000 3/13824 220.0 0.140 0.191 0.374 0.000 -0.001 0.000 3/13824 230.0 0.134 0.183 0.358 0.000 -0.001 0.000 3/13824 240.0 0.129 0.175 0.343 0.000 -0.001 0.000 3/13824 250.0 0.123 0.168 0.329 0.000 -0.001 0.000 3/13824 260.0 0.119 0.162 0.316 0.000 -0.001 0.000 3/13824 270.0 0.114 0.156 0.305 0.000 -0.001 0.000 3/13824 280.0 0.110 0.150 0.294 0.000 -0.001 0.000 3/13824 290.0 0.107 0.145 0.284 0.000 -0.001 0.000 3/13824 300.0 0.103 0.140 0.274 0.000 -0.001 0.000 3/13824 310.0 0.100 0.136 0.265 0.000 -0.001 0.000 3/13824 320.0 0.097 0.132 0.257 0.000 -0.001 0.000 3/13824 330.0 0.094 0.128 0.249 0.000 -0.001 0.000 3/13824 340.0 0.091 0.124 0.242 0.000 -0.001 0.000 3/13824 350.0 0.088 0.121 0.235 0.000 -0.001 0.000 3/13824 360.0 0.086 0.117 0.229 0.000 -0.000 0.000 3/13824 370.0 0.084 0.114 0.222 0.000 -0.000 0.000 3/13824 380.0 0.082 0.111 0.217 0.000 -0.000 0.000 3/13824 390.0 0.079 0.108 0.211 0.000 -0.000 0.000 3/13824 400.0 0.078 0.106 0.206 0.000 -0.000 0.000 3/13824 410.0 0.076 0.103 0.201 0.000 -0.000 0.000 3/13824 420.0 0.074 0.101 0.196 0.000 -0.000 0.000 3/13824 430.0 0.072 0.098 0.192 0.000 -0.000 0.000 3/13824 440.0 0.071 0.096 0.187 0.000 -0.000 0.000 3/13824 450.0 0.069 0.094 0.183 0.000 -0.000 0.000 3/13824 460.0 0.068 0.092 0.179 0.000 -0.000 0.000 3/13824 470.0 0.066 0.090 0.175 0.000 -0.000 0.000 3/13824 480.0 0.065 0.088 0.172 0.000 -0.000 0.000 3/13824 490.0 0.063 0.086 0.168 0.000 -0.000 0.000 3/13824 500.0 0.062 0.085 0.165 0.000 -0.000 0.000 3/13824 510.0 0.061 0.083 0.162 0.000 -0.000 0.000 3/13824 520.0 0.060 0.081 0.159 0.000 -0.000 0.000 3/13824 530.0 0.059 0.080 0.156 0.000 -0.000 0.000 3/13824 540.0 0.058 0.078 0.153 0.000 -0.000 0.000 3/13824 550.0 0.057 0.077 0.150 0.000 -0.000 0.000 3/13824 560.0 0.056 0.076 0.147 0.000 -0.000 0.000 3/13824 570.0 0.055 0.074 0.145 0.000 -0.000 0.000 3/13824 580.0 0.054 0.073 0.142 0.000 -0.000 0.000 3/13824 590.0 0.053 0.072 0.140 0.000 -0.000 0.000 3/13824 600.0 0.052 0.071 0.138 0.000 -0.000 0.000 3/13824 610.0 0.051 0.070 0.135 0.000 -0.000 0.000 3/13824 620.0 0.050 0.068 0.133 0.000 -0.000 0.000 3/13824 630.0 0.049 0.067 0.131 0.000 -0.000 0.000 3/13824 640.0 0.049 0.066 0.129 0.000 -0.000 0.000 3/13824 650.0 0.048 0.065 0.127 0.000 -0.000 0.000 3/13824 660.0 0.047 0.064 0.125 0.000 -0.000 0.000 3/13824 670.0 0.047 0.063 0.123 0.000 -0.000 0.000 3/13824 680.0 0.046 0.062 0.121 0.000 -0.000 0.000 3/13824 690.0 0.045 0.062 0.120 0.000 -0.000 0.000 3/13824 700.0 0.045 0.061 0.118 0.000 -0.000 0.000 3/13824 710.0 0.044 0.060 0.116 0.000 -0.000 0.000 3/13824 720.0 0.043 0.059 0.115 0.000 -0.000 0.000 3/13824 730.0 0.043 0.058 0.113 0.000 -0.000 0.000 3/13824 740.0 0.042 0.057 0.112 0.000 -0.000 0.000 3/13824 750.0 0.042 0.057 0.110 0.000 -0.000 0.000 3/13824 760.0 0.041 0.056 0.109 0.000 -0.000 0.000 3/13824 770.0 0.041 0.055 0.107 0.000 -0.000 0.000 3/13824 780.0 0.040 0.055 0.106 0.000 -0.000 0.000 3/13824 790.0 0.040 0.054 0.105 0.000 -0.000 0.000 3/13824 800.0 0.039 0.053 0.103 0.000 -0.000 0.000 3/13824 810.0 0.039 0.053 0.102 0.000 -0.000 0.000 3/13824 820.0 0.038 0.052 0.101 0.000 -0.000 0.000 3/13824 830.0 0.038 0.051 0.100 0.000 -0.000 0.000 3/13824 840.0 0.037 0.051 0.098 0.000 -0.000 0.000 3/13824 850.0 0.037 0.050 0.097 0.000 -0.000 0.000 3/13824 860.0 0.036 0.050 0.096 0.000 -0.000 0.000 3/13824 870.0 0.036 0.049 0.095 0.000 -0.000 0.000 3/13824 880.0 0.036 0.048 0.094 0.000 -0.000 0.000 3/13824 890.0 0.035 0.048 0.093 0.000 -0.000 0.000 3/13824 900.0 0.035 0.047 0.092 0.000 -0.000 0.000 3/13824 910.0 0.034 0.047 0.091 0.000 -0.000 0.000 3/13824 920.0 0.034 0.046 0.090 0.000 -0.000 0.000 3/13824 930.0 0.034 0.046 0.089 0.000 -0.000 0.000 3/13824 940.0 0.033 0.045 0.088 0.000 -0.000 0.000 3/13824 950.0 0.033 0.045 0.087 0.000 -0.000 0.000 3/13824 960.0 0.033 0.044 0.086 0.000 -0.000 0.000 3/13824 970.0 0.032 0.044 0.085 0.000 -0.000 0.000 3/13824 980.0 0.032 0.043 0.084 0.000 -0.000 0.000 3/13824 990.0 0.032 0.043 0.084 0.000 -0.000 0.000 3/13824 1000.0 0.031 0.043 0.083 0.000 -0.000 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m634.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:12:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|