----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:43:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.280406910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): *1 Sr 0.91570259374591 0.08362595306185 0.69150759176998 87.620 2 Sr 0.08429740625409 0.91637404693815 0.30849240823002 87.620 3 Sr 0.58429740625409 0.91637404693815 0.19150759176998 87.620 4 Sr 0.41570259374591 0.41637404693815 0.30849240823002 87.620 5 Sr 0.91570259374591 0.41637404693815 0.19150759176998 87.620 6 Sr 0.41570259374591 0.08362595306185 0.80849240823002 87.620 7 Sr 0.08429740625409 0.58362595306185 0.80849240823002 87.620 8 Sr 0.58429740625409 0.58362595306185 0.69150759176998 87.620 *9 Li 0.29039271995972 0.68324272503587 0.12287510042617 6.941 *10 Li 0.09449346833011 0.28019080366297 0.88518259068698 6.941 11 Li 0.59449346833011 0.21980919633703 0.11481740931302 6.941 12 Li 0.70960728004028 0.31675727496413 0.87712489957383 6.941 13 Li 0.40550653166989 0.78019080366297 0.88518259068698 6.941 14 Li 0.79039271995972 0.81675727496413 0.87712489957383 6.941 15 Li 0.20960728004028 0.31675727496413 0.62287510042617 6.941 16 Li 0.90550653166989 0.78019080366297 0.61481740931302 6.941 17 Li 0.90550653166989 0.71980919633703 0.11481740931302 6.941 18 Li 0.09449346833011 0.21980919633703 0.38518259068698 6.941 19 Li 0.40550653166989 0.71980919633703 0.38518259068698 6.941 20 Li 0.29039271995972 0.81675727496413 0.62287510042617 6.941 21 Li 0.79039271995972 0.68324272503587 0.37712489957383 6.941 22 Li 0.59449346833011 0.28019080366297 0.61481740931302 6.941 23 Li 0.20960728004028 0.18324272503587 0.12287510042617 6.941 24 Li 0.70960728004028 0.18324272503587 0.37712489957383 6.941 *25 Cr 0.60478550067893 0.58239186672081 0.04734118161557 51.996 26 Cr 0.10478550067893 0.58239186672081 0.45265881838443 51.996 27 Cr 0.89521449932107 0.41760813327919 0.54734118161557 51.996 28 Cr 0.39521449932107 0.41760813327919 0.95265881838443 51.996 29 Cr 0.10478550067893 0.91760813327919 0.95265881838443 51.996 30 Cr 0.60478550067893 0.91760813327919 0.54734118161557 51.996 31 Cr 0.89521449932107 0.08239186672081 0.04734118161557 51.996 32 Cr 0.39521449932107 0.08239186672081 0.45265881838443 51.996 *33 N 0.60352729967743 0.09573585572624 0.56748609622870 14.007 *34 N 0.92674290708840 0.34433152273038 0.71655703353029 14.007 *35 N 0.79096904700720 0.62733725185548 0.94844213301428 14.007 36 N 0.10352729967743 0.40426414427376 0.43251390377130 14.007 37 N 0.57325709291160 0.84433152273038 0.71655703353029 14.007 38 N 0.39647270032257 0.59573585572624 0.93251390377130 14.007 39 N 0.70903095299280 0.12733725185548 0.94844213301428 14.007 40 N 0.92674290708840 0.15566847726962 0.21655703353029 14.007 41 N 0.29096904700720 0.87266274814452 0.05155786698572 14.007 42 N 0.20903095299280 0.37266274814452 0.05155786698572 14.007 43 N 0.07325709291160 0.65566847726962 0.28344296646971 14.007 44 N 0.42674290708840 0.34433152273038 0.78344296646971 14.007 45 N 0.10352729967743 0.09573585572624 0.93251390377130 14.007 46 N 0.57325709291160 0.65566847726962 0.21655703353029 14.007 47 N 0.42674290708840 0.15566847726962 0.28344296646971 14.007 48 N 0.20903095299280 0.12733725185548 0.55155786698572 14.007 49 N 0.07325709291160 0.84433152273038 0.78344296646971 14.007 50 N 0.60352729967743 0.40426414427376 0.06748609622870 14.007 51 N 0.79096904700720 0.87266274814452 0.44844213301428 14.007 52 N 0.29096904700720 0.62733725185548 0.55155786698572 14.007 53 N 0.39647270032257 0.90426414427376 0.43251390377130 14.007 54 N 0.89647270032257 0.90426414427376 0.06748609622870 14.007 55 N 0.89647270032257 0.59573585572624 0.56748609622870 14.007 56 N 0.70903095299280 0.37266274814452 0.44844213301428 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.280406910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): *1 Sr 0.91570259374591 0.08362595306185 0.69150759176998 87.620 > 1 2 Sr 0.08429740625409 0.91637404693815 0.30849240823002 87.620 > 2 3 Sr 0.58429740625409 0.91637404693815 0.19150759176998 87.620 > 3 4 Sr 0.41570259374591 0.41637404693815 0.30849240823002 87.620 > 4 5 Sr 0.91570259374591 0.41637404693815 0.19150759176998 87.620 > 5 6 Sr 0.41570259374591 0.08362595306185 0.80849240823002 87.620 > 6 7 Sr 0.08429740625409 0.58362595306185 0.80849240823002 87.620 > 7 8 Sr 0.58429740625409 0.58362595306185 0.69150759176998 87.620 > 8 *9 Li 0.29039271995972 0.68324272503587 0.12287510042617 6.941 > 9 *10 Li 0.09449346833011 0.28019080366297 0.88518259068698 6.941 > 10 11 Li 0.59449346833011 0.21980919633703 0.11481740931302 6.941 > 11 12 Li 0.70960728004028 0.31675727496413 0.87712489957383 6.941 > 12 13 Li 0.40550653166989 0.78019080366297 0.88518259068698 6.941 > 13 14 Li 0.79039271995972 0.81675727496413 0.87712489957383 6.941 > 14 15 Li 0.20960728004028 0.31675727496413 0.62287510042617 6.941 > 15 16 Li 0.90550653166989 0.78019080366297 0.61481740931302 6.941 > 16 17 Li 0.90550653166989 0.71980919633703 0.11481740931302 6.941 > 17 18 Li 0.09449346833011 0.21980919633703 0.38518259068698 6.941 > 18 19 Li 0.40550653166989 0.71980919633703 0.38518259068698 6.941 > 19 20 Li 0.29039271995972 0.81675727496413 0.62287510042617 6.941 > 20 21 Li 0.79039271995972 0.68324272503587 0.37712489957383 6.941 > 21 22 Li 0.59449346833011 0.28019080366297 0.61481740931302 6.941 > 22 23 Li 0.20960728004028 0.18324272503587 0.12287510042617 6.941 > 23 24 Li 0.70960728004028 0.18324272503587 0.37712489957383 6.941 > 24 *25 Cr 0.60478550067893 0.58239186672081 0.04734118161557 51.996 > 25 26 Cr 0.10478550067893 0.58239186672081 0.45265881838443 51.996 > 26 27 Cr 0.89521449932107 0.41760813327919 0.54734118161557 51.996 > 27 28 Cr 0.39521449932107 0.41760813327919 0.95265881838443 51.996 > 28 29 Cr 0.10478550067893 0.91760813327919 0.95265881838443 51.996 > 29 30 Cr 0.60478550067893 0.91760813327919 0.54734118161557 51.996 > 30 31 Cr 0.89521449932107 0.08239186672081 0.04734118161557 51.996 > 31 32 Cr 0.39521449932107 0.08239186672081 0.45265881838443 51.996 > 32 *33 N 0.60352729967743 0.09573585572624 0.56748609622870 14.007 > 33 *34 N 0.92674290708840 0.34433152273038 0.71655703353029 14.007 > 34 *35 N 0.79096904700720 0.62733725185548 0.94844213301428 14.007 > 35 36 N 0.10352729967743 0.40426414427376 0.43251390377130 14.007 > 36 37 N 0.57325709291160 0.84433152273038 0.71655703353029 14.007 > 37 38 N 0.39647270032257 0.59573585572624 0.93251390377130 14.007 > 38 39 N 0.70903095299280 0.12733725185548 0.94844213301428 14.007 > 39 40 N 0.92674290708840 0.15566847726962 0.21655703353029 14.007 > 40 41 N 0.29096904700720 0.87266274814452 0.05155786698572 14.007 > 41 42 N 0.20903095299280 0.37266274814452 0.05155786698572 14.007 > 42 43 N 0.07325709291160 0.65566847726962 0.28344296646971 14.007 > 43 44 N 0.42674290708840 0.34433152273038 0.78344296646971 14.007 > 44 45 N 0.10352729967743 0.09573585572624 0.93251390377130 14.007 > 45 46 N 0.57325709291160 0.65566847726962 0.21655703353029 14.007 > 46 47 N 0.42674290708840 0.15566847726962 0.28344296646971 14.007 > 47 48 N 0.20903095299280 0.12733725185548 0.55155786698572 14.007 > 48 49 N 0.07325709291160 0.84433152273038 0.78344296646971 14.007 > 49 50 N 0.60352729967743 0.40426414427376 0.06748609622870 14.007 > 50 51 N 0.79096904700720 0.87266274814452 0.44844213301428 14.007 > 51 52 N 0.29096904700720 0.62733725185548 0.55155786698572 14.007 > 52 53 N 0.39647270032257 0.90426414427376 0.43251390377130 14.007 > 53 54 N 0.89647270032257 0.90426414427376 0.06748609622870 14.007 > 54 55 N 0.89647270032257 0.59573585572624 0.56748609622870 14.007 > 55 56 N 0.70903095299280 0.37266274814452 0.44844213301428 14.007 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.560813820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): *1 Sr 0.45785129687295 0.08362595306185 0.69150759176998 87.620 > 1 2 Sr 0.95785129687295 0.08362595306185 0.69150759176998 87.620 > 1 3 Sr 0.04214870312705 0.91637404693815 0.30849240823002 87.620 > 2 4 Sr 0.54214870312705 0.91637404693815 0.30849240823002 87.620 > 2 5 Sr 0.29214870312705 0.91637404693815 0.19150759176998 87.620 > 3 6 Sr 0.79214870312705 0.91637404693815 0.19150759176998 87.620 > 3 7 Sr 0.20785129687295 0.41637404693815 0.30849240823002 87.620 > 4 8 Sr 0.70785129687295 0.41637404693815 0.30849240823002 87.620 > 4 9 Sr 0.45785129687295 0.41637404693815 0.19150759176998 87.620 > 5 10 Sr 0.95785129687295 0.41637404693815 0.19150759176998 87.620 > 5 11 Sr 0.20785129687295 0.08362595306185 0.80849240823002 87.620 > 6 12 Sr 0.70785129687295 0.08362595306185 0.80849240823002 87.620 > 6 13 Sr 0.04214870312705 0.58362595306185 0.80849240823002 87.620 > 7 14 Sr 0.54214870312705 0.58362595306185 0.80849240823002 87.620 > 7 15 Sr 0.29214870312705 0.58362595306185 0.69150759176998 87.620 > 8 16 Sr 0.79214870312705 0.58362595306185 0.69150759176998 87.620 > 8 *17 Li 0.14519635997986 0.68324272503587 0.12287510042617 6.941 > 9 18 Li 0.64519635997986 0.68324272503587 0.12287510042617 6.941 > 9 *19 Li 0.04724673416505 0.28019080366297 0.88518259068698 6.941 > 10 20 Li 0.54724673416505 0.28019080366297 0.88518259068698 6.941 > 10 21 Li 0.29724673416505 0.21980919633703 0.11481740931302 6.941 > 11 22 Li 0.79724673416505 0.21980919633703 0.11481740931302 6.941 > 11 23 Li 0.35480364002014 0.31675727496413 0.87712489957383 6.941 > 12 24 Li 0.85480364002014 0.31675727496413 0.87712489957383 6.941 > 12 25 Li 0.20275326583495 0.78019080366297 0.88518259068698 6.941 > 13 26 Li 0.70275326583495 0.78019080366297 0.88518259068698 6.941 > 13 27 Li 0.39519635997986 0.81675727496413 0.87712489957383 6.941 > 14 28 Li 0.89519635997986 0.81675727496413 0.87712489957383 6.941 > 14 29 Li 0.10480364002014 0.31675727496413 0.62287510042617 6.941 > 15 30 Li 0.60480364002014 0.31675727496413 0.62287510042617 6.941 > 15 31 Li 0.45275326583495 0.78019080366297 0.61481740931302 6.941 > 16 32 Li 0.95275326583495 0.78019080366297 0.61481740931302 6.941 > 16 33 Li 0.45275326583495 0.71980919633703 0.11481740931302 6.941 > 17 34 Li 0.95275326583495 0.71980919633703 0.11481740931302 6.941 > 17 35 Li 0.04724673416505 0.21980919633703 0.38518259068698 6.941 > 18 36 Li 0.54724673416505 0.21980919633703 0.38518259068698 6.941 > 18 37 Li 0.20275326583495 0.71980919633703 0.38518259068698 6.941 > 19 38 Li 0.70275326583495 0.71980919633703 0.38518259068698 6.941 > 19 39 Li 0.14519635997986 0.81675727496413 0.62287510042617 6.941 > 20 40 Li 0.64519635997986 0.81675727496413 0.62287510042617 6.941 > 20 41 Li 0.39519635997986 0.68324272503587 0.37712489957383 6.941 > 21 42 Li 0.89519635997986 0.68324272503587 0.37712489957383 6.941 > 21 43 Li 0.29724673416505 0.28019080366297 0.61481740931302 6.941 > 22 44 Li 0.79724673416505 0.28019080366297 0.61481740931302 6.941 > 22 45 Li 0.10480364002014 0.18324272503587 0.12287510042617 6.941 > 23 46 Li 0.60480364002014 0.18324272503587 0.12287510042617 6.941 > 23 47 Li 0.35480364002014 0.18324272503587 0.37712489957383 6.941 > 24 48 Li 0.85480364002014 0.18324272503587 0.37712489957383 6.941 > 24 *49 Cr 0.30239275033947 0.58239186672081 0.04734118161557 51.996 > 25 50 Cr 0.80239275033947 0.58239186672081 0.04734118161557 51.996 > 25 51 Cr 0.05239275033947 0.58239186672081 0.45265881838443 51.996 > 26 52 Cr 0.55239275033947 0.58239186672081 0.45265881838443 51.996 > 26 53 Cr 0.44760724966053 0.41760813327919 0.54734118161557 51.996 > 27 54 Cr 0.94760724966053 0.41760813327919 0.54734118161557 51.996 > 27 55 Cr 0.19760724966053 0.41760813327919 0.95265881838443 51.996 > 28 56 Cr 0.69760724966053 0.41760813327919 0.95265881838443 51.996 > 28 57 Cr 0.05239275033947 0.91760813327919 0.95265881838443 51.996 > 29 58 Cr 0.55239275033947 0.91760813327919 0.95265881838443 51.996 > 29 59 Cr 0.30239275033947 0.91760813327919 0.54734118161557 51.996 > 30 60 Cr 0.80239275033947 0.91760813327919 0.54734118161557 51.996 > 30 61 Cr 0.44760724966053 0.08239186672081 0.04734118161557 51.996 > 31 62 Cr 0.94760724966053 0.08239186672081 0.04734118161557 51.996 > 31 63 Cr 0.19760724966053 0.08239186672081 0.45265881838443 51.996 > 32 64 Cr 0.69760724966053 0.08239186672081 0.45265881838443 51.996 > 32 *65 N 0.30176364983871 0.09573585572624 0.56748609622870 14.007 > 33 66 N 0.80176364983871 0.09573585572624 0.56748609622870 14.007 > 33 *67 N 0.46337145354420 0.34433152273038 0.71655703353029 14.007 > 34 68 N 0.96337145354420 0.34433152273038 0.71655703353029 14.007 > 34 *69 N 0.39548452350360 0.62733725185548 0.94844213301428 14.007 > 35 70 N 0.89548452350360 0.62733725185548 0.94844213301428 14.007 > 35 71 N 0.05176364983871 0.40426414427376 0.43251390377130 14.007 > 36 72 N 0.55176364983871 0.40426414427376 0.43251390377130 14.007 > 36 73 N 0.28662854645580 0.84433152273038 0.71655703353029 14.007 > 37 74 N 0.78662854645580 0.84433152273038 0.71655703353029 14.007 > 37 75 N 0.19823635016129 0.59573585572624 0.93251390377130 14.007 > 38 76 N 0.69823635016129 0.59573585572624 0.93251390377130 14.007 > 38 77 N 0.35451547649640 0.12733725185548 0.94844213301428 14.007 > 39 78 N 0.85451547649640 0.12733725185548 0.94844213301428 14.007 > 39 79 N 0.46337145354420 0.15566847726962 0.21655703353029 14.007 > 40 80 N 0.96337145354420 0.15566847726962 0.21655703353029 14.007 > 40 81 N 0.14548452350360 0.87266274814452 0.05155786698572 14.007 > 41 82 N 0.64548452350360 0.87266274814452 0.05155786698572 14.007 > 41 83 N 0.10451547649640 0.37266274814452 0.05155786698572 14.007 > 42 84 N 0.60451547649640 0.37266274814452 0.05155786698572 14.007 > 42 85 N 0.03662854645580 0.65566847726962 0.28344296646971 14.007 > 43 86 N 0.53662854645580 0.65566847726962 0.28344296646971 14.007 > 43 87 N 0.21337145354420 0.34433152273038 0.78344296646971 14.007 > 44 88 N 0.71337145354420 0.34433152273038 0.78344296646971 14.007 > 44 89 N 0.05176364983871 0.09573585572624 0.93251390377130 14.007 > 45 90 N 0.55176364983871 0.09573585572624 0.93251390377130 14.007 > 45 91 N 0.28662854645580 0.65566847726962 0.21655703353029 14.007 > 46 92 N 0.78662854645580 0.65566847726962 0.21655703353029 14.007 > 46 93 N 0.21337145354420 0.15566847726962 0.28344296646971 14.007 > 47 94 N 0.71337145354420 0.15566847726962 0.28344296646971 14.007 > 47 95 N 0.10451547649640 0.12733725185548 0.55155786698572 14.007 > 48 96 N 0.60451547649640 0.12733725185548 0.55155786698572 14.007 > 48 97 N 0.03662854645580 0.84433152273038 0.78344296646971 14.007 > 49 98 N 0.53662854645580 0.84433152273038 0.78344296646971 14.007 > 49 99 N 0.30176364983871 0.40426414427376 0.06748609622870 14.007 > 50 100 N 0.80176364983871 0.40426414427376 0.06748609622870 14.007 > 50 101 N 0.39548452350360 0.87266274814452 0.44844213301428 14.007 > 51 102 N 0.89548452350360 0.87266274814452 0.44844213301428 14.007 > 51 103 N 0.14548452350360 0.62733725185548 0.55155786698572 14.007 > 52 104 N 0.64548452350360 0.62733725185548 0.55155786698572 14.007 > 52 105 N 0.19823635016129 0.90426414427376 0.43251390377130 14.007 > 53 106 N 0.69823635016129 0.90426414427376 0.43251390377130 14.007 > 53 107 N 0.44823635016129 0.90426414427376 0.06748609622870 14.007 > 54 108 N 0.94823635016129 0.90426414427376 0.06748609622870 14.007 > 54 109 N 0.44823635016129 0.59573585572624 0.56748609622870 14.007 > 55 110 N 0.94823635016129 0.59573585572624 0.56748609622870 14.007 > 55 111 N 0.35451547649640 0.37266274814452 0.44844213301428 14.007 > 56 112 N 0.85451547649640 0.37266274814452 0.44844213301428 14.007 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4790555 0.0000000 0.0000000 0.0000000 6.4561033 0.0000000 0.0000000 0.0000000 6.2749355 -------------------------- Born effective charges -------------------------- 1 Sr 2.8874833 0.3979172 0.2476339 0.0555698 2.0626170 -0.1596519 0.3231288 -0.6001685 2.6439904 2 Sr 2.8874833 0.3979172 0.2476339 0.0555698 2.0626170 -0.1596519 0.3231288 -0.6001685 2.6439904 3 Sr 2.8874833 0.3979172 -0.2476339 0.0555698 2.0626170 0.1596519 -0.3231288 0.6001685 2.6439904 4 Sr 2.8874833 -0.3979172 -0.2476339 -0.0555698 2.0626170 -0.1596519 -0.3231288 -0.6001685 2.6439904 5 Sr 2.8874833 -0.3979172 0.2476339 -0.0555698 2.0626170 0.1596519 0.3231288 0.6001685 2.6439904 6 Sr 2.8874833 0.3979172 -0.2476339 0.0555698 2.0626170 0.1596519 -0.3231288 0.6001685 2.6439904 7 Sr 2.8874833 -0.3979172 0.2476339 -0.0555698 2.0626170 0.1596519 0.3231288 0.6001685 2.6439904 8 Sr 2.8874833 -0.3979172 -0.2476339 -0.0555698 2.0626170 -0.1596519 -0.3231288 -0.6001685 2.6439904 9 Li 1.0306147 -0.4359465 -0.1337259 -0.2526388 1.1744972 -0.1141986 -0.5310792 -0.0964169 0.9983791 10 Li 1.0805252 0.3966351 0.1563305 0.3548967 1.2789132 -0.2811621 0.3452614 -0.2074211 0.9738606 11 Li 1.0805252 -0.3966351 -0.1563305 -0.3548967 1.2789132 -0.2811621 -0.3452614 -0.2074211 0.9738606 12 Li 1.0306147 -0.4359465 -0.1337259 -0.2526388 1.1744972 -0.1141986 -0.5310792 -0.0964169 0.9983791 13 Li 1.0805252 -0.3966351 -0.1563305 -0.3548967 1.2789132 -0.2811621 -0.3452614 -0.2074211 0.9738606 14 Li 1.0306147 0.4359465 0.1337259 0.2526388 1.1744972 -0.1141986 0.5310792 -0.0964169 0.9983791 15 Li 1.0306147 -0.4359465 0.1337259 -0.2526388 1.1744972 0.1141986 0.5310792 0.0964169 0.9983791 16 Li 1.0805252 -0.3966351 0.1563305 -0.3548967 1.2789132 0.2811621 0.3452614 0.2074211 0.9738606 17 Li 1.0805252 0.3966351 0.1563305 0.3548967 1.2789132 -0.2811621 0.3452614 -0.2074211 0.9738606 18 Li 1.0805252 -0.3966351 0.1563305 -0.3548967 1.2789132 0.2811621 0.3452614 0.2074211 0.9738606 19 Li 1.0805252 0.3966351 -0.1563305 0.3548967 1.2789132 0.2811621 -0.3452614 0.2074211 0.9738606 20 Li 1.0306147 0.4359465 -0.1337259 0.2526388 1.1744972 0.1141986 -0.5310792 0.0964169 0.9983791 21 Li 1.0306147 -0.4359465 0.1337259 -0.2526388 1.1744972 0.1141986 0.5310792 0.0964169 0.9983791 22 Li 1.0805252 0.3966351 -0.1563305 0.3548967 1.2789132 0.2811621 -0.3452614 0.2074211 0.9738606 23 Li 1.0306147 0.4359465 0.1337259 0.2526388 1.1744972 -0.1141986 0.5310792 -0.0964169 0.9983791 24 Li 1.0306147 0.4359465 -0.1337259 0.2526388 1.1744972 0.1141986 -0.5310792 0.0964169 0.9983791 25 Cr 1.4901134 0.6579905 -1.2266868 0.6490094 0.5397778 0.5719553 -1.1957811 0.7050172 2.2573547 26 Cr 1.4901134 0.6579905 1.2266868 0.6490094 0.5397778 -0.5719553 1.1957811 -0.7050172 2.2573547 27 Cr 1.4901134 0.6579905 1.2266868 0.6490094 0.5397778 -0.5719553 1.1957811 -0.7050172 2.2573547 28 Cr 1.4901134 0.6579905 -1.2266868 0.6490094 0.5397778 0.5719553 -1.1957811 0.7050172 2.2573547 29 Cr 1.4901134 -0.6579905 1.2266868 -0.6490094 0.5397778 0.5719553 1.1957811 0.7050172 2.2573547 30 Cr 1.4901134 -0.6579905 -1.2266868 -0.6490094 0.5397778 -0.5719553 -1.1957811 -0.7050172 2.2573547 31 Cr 1.4901134 -0.6579905 1.2266868 -0.6490094 0.5397778 0.5719553 1.1957811 0.7050172 2.2573547 32 Cr 1.4901134 -0.6579905 -1.2266868 -0.6490094 0.5397778 -0.5719553 -1.1957811 -0.7050172 2.2573547 33 N -1.7113467 -0.5799720 -0.3838026 -0.4451622 -1.4944492 -0.3138967 -0.3282007 -0.3108586 -1.4416601 34 N -1.3960141 0.0569311 -0.2629699 -0.0056107 -2.1165661 1.2164379 -0.3945150 1.1362984 -3.4222255 35 N -3.3813756 -0.7886289 1.4032569 -1.0837642 -1.4447900 0.5332958 1.0707954 0.3039133 -2.0096993 36 N -1.7113467 0.5799720 0.3838026 0.4451622 -1.4944492 -0.3138967 0.3282007 -0.3108586 -1.4416601 37 N -1.3960141 -0.0569311 0.2629699 0.0056107 -2.1165661 1.2164379 0.3945150 1.1362984 -3.4222255 38 N -1.7113467 0.5799720 -0.3838026 0.4451622 -1.4944492 0.3138967 -0.3282007 0.3108586 -1.4416601 39 N -3.3813756 0.7886289 -1.4032569 1.0837642 -1.4447900 0.5332958 -1.0707954 0.3039133 -2.0096993 40 N -1.3960141 -0.0569311 -0.2629699 0.0056107 -2.1165661 -1.2164379 -0.3945150 -1.1362984 -3.4222255 41 N -3.3813756 0.7886289 -1.4032569 1.0837642 -1.4447900 0.5332958 -1.0707954 0.3039133 -2.0096993 42 N -3.3813756 -0.7886289 1.4032569 -1.0837642 -1.4447900 0.5332958 1.0707954 0.3039133 -2.0096993 43 N -1.3960141 0.0569311 -0.2629699 -0.0056107 -2.1165661 1.2164379 -0.3945150 1.1362984 -3.4222255 44 N -1.3960141 0.0569311 0.2629699 -0.0056107 -2.1165661 -1.2164379 0.3945150 -1.1362984 -3.4222255 45 N -1.7113467 -0.5799720 0.3838026 -0.4451622 -1.4944492 0.3138967 0.3282007 0.3108586 -1.4416601 46 N -1.3960141 0.0569311 0.2629699 -0.0056107 -2.1165661 -1.2164379 0.3945150 -1.1362984 -3.4222255 47 N -1.3960141 -0.0569311 0.2629699 0.0056107 -2.1165661 1.2164379 0.3945150 1.1362984 -3.4222255 48 N -3.3813756 0.7886289 1.4032569 1.0837642 -1.4447900 -0.5332958 1.0707954 -0.3039133 -2.0096993 49 N -1.3960141 -0.0569311 -0.2629699 0.0056107 -2.1165661 -1.2164379 -0.3945150 -1.1362984 -3.4222255 50 N -1.7113467 0.5799720 -0.3838026 0.4451622 -1.4944492 0.3138967 -0.3282007 0.3108586 -1.4416601 51 N -3.3813756 0.7886289 1.4032569 1.0837642 -1.4447900 -0.5332958 1.0707954 -0.3039133 -2.0096993 52 N -3.3813756 -0.7886289 -1.4032569 -1.0837642 -1.4447900 -0.5332958 -1.0707954 -0.3039133 -2.0096993 53 N -1.7113467 -0.5799720 -0.3838026 -0.4451622 -1.4944492 -0.3138967 -0.3282007 -0.3108586 -1.4416601 54 N -1.7113467 -0.5799720 0.3838026 -0.4451622 -1.4944492 0.3138967 0.3282007 0.3108586 -1.4416601 55 N -1.7113467 0.5799720 0.3838026 0.4451622 -1.4944492 -0.3138967 0.3282007 -0.3108586 -1.4416601 56 N -3.3813756 -0.7886289 -1.4032569 -1.0837642 -1.4447900 -0.5332958 -1.0707954 -0.3039133 -2.0096993 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3591), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.120 Solver_block: 200 / 880 - Time: 0.939 Solver_block: 300 / 880 - Time: 0.922 Solver_block: 400 / 880 - Time: 0.922 Solver_block: 500 / 880 - Time: 0.935 Solver_block: 600 / 880 - Time: 0.933 Solver_block: 700 / 880 - Time: 0.920 Solver_block: 800 / 880 - Time: 0.925 Solver_block: 880 / 880 - Time: 0.777 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.573 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3591), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:44:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:44:05]------------------------- 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.280406910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): 1 Sr 0.91570259374591 0.08362595306185 0.69150759176998 87.620 2 Sr 0.08429740625409 0.91637404693815 0.30849240823002 87.620 3 Sr 0.58429740625409 0.91637404693815 0.19150759176998 87.620 4 Sr 0.41570259374591 0.41637404693815 0.30849240823002 87.620 5 Sr 0.91570259374591 0.41637404693815 0.19150759176998 87.620 6 Sr 0.41570259374591 0.08362595306185 0.80849240823002 87.620 7 Sr 0.08429740625409 0.58362595306185 0.80849240823002 87.620 8 Sr 0.58429740625409 0.58362595306185 0.69150759176998 87.620 9 Li 0.29039271995972 0.68324272503587 0.12287510042617 6.941 10 Li 0.09449346833011 0.28019080366297 0.88518259068698 6.941 11 Li 0.59449346833011 0.21980919633703 0.11481740931302 6.941 12 Li 0.70960728004028 0.31675727496413 0.87712489957383 6.941 13 Li 0.40550653166989 0.78019080366297 0.88518259068698 6.941 14 Li 0.79039271995972 0.81675727496413 0.87712489957383 6.941 15 Li 0.20960728004028 0.31675727496413 0.62287510042617 6.941 16 Li 0.90550653166989 0.78019080366297 0.61481740931302 6.941 17 Li 0.90550653166989 0.71980919633703 0.11481740931302 6.941 18 Li 0.09449346833011 0.21980919633703 0.38518259068698 6.941 19 Li 0.40550653166989 0.71980919633703 0.38518259068698 6.941 20 Li 0.29039271995972 0.81675727496413 0.62287510042617 6.941 21 Li 0.79039271995972 0.68324272503587 0.37712489957383 6.941 22 Li 0.59449346833011 0.28019080366297 0.61481740931302 6.941 23 Li 0.20960728004028 0.18324272503587 0.12287510042617 6.941 24 Li 0.70960728004028 0.18324272503587 0.37712489957383 6.941 25 Cr 0.60478550067893 0.58239186672081 0.04734118161557 51.996 26 Cr 0.10478550067893 0.58239186672081 0.45265881838443 51.996 27 Cr 0.89521449932107 0.41760813327919 0.54734118161557 51.996 28 Cr 0.39521449932107 0.41760813327919 0.95265881838443 51.996 29 Cr 0.10478550067893 0.91760813327919 0.95265881838443 51.996 30 Cr 0.60478550067893 0.91760813327919 0.54734118161557 51.996 31 Cr 0.89521449932107 0.08239186672081 0.04734118161557 51.996 32 Cr 0.39521449932107 0.08239186672081 0.45265881838443 51.996 33 N 0.60352729967743 0.09573585572624 0.56748609622870 14.007 34 N 0.92674290708840 0.34433152273038 0.71655703353029 14.007 35 N 0.79096904700720 0.62733725185548 0.94844213301428 14.007 36 N 0.10352729967743 0.40426414427376 0.43251390377130 14.007 37 N 0.57325709291160 0.84433152273038 0.71655703353029 14.007 38 N 0.39647270032257 0.59573585572624 0.93251390377130 14.007 39 N 0.70903095299280 0.12733725185548 0.94844213301428 14.007 40 N 0.92674290708840 0.15566847726962 0.21655703353029 14.007 41 N 0.29096904700720 0.87266274814452 0.05155786698572 14.007 42 N 0.20903095299280 0.37266274814452 0.05155786698572 14.007 43 N 0.07325709291160 0.65566847726962 0.28344296646971 14.007 44 N 0.42674290708840 0.34433152273038 0.78344296646971 14.007 45 N 0.10352729967743 0.09573585572624 0.93251390377130 14.007 46 N 0.57325709291160 0.65566847726962 0.21655703353029 14.007 47 N 0.42674290708840 0.15566847726962 0.28344296646971 14.007 48 N 0.20903095299280 0.12733725185548 0.55155786698572 14.007 49 N 0.07325709291160 0.84433152273038 0.78344296646971 14.007 50 N 0.60352729967743 0.40426414427376 0.06748609622870 14.007 51 N 0.79096904700720 0.87266274814452 0.44844213301428 14.007 52 N 0.29096904700720 0.62733725185548 0.55155786698572 14.007 53 N 0.39647270032257 0.90426414427376 0.43251390377130 14.007 54 N 0.89647270032257 0.90426414427376 0.06748609622870 14.007 55 N 0.89647270032257 0.59573585572624 0.56748609622870 14.007 56 N 0.70903095299280 0.37266274814452 0.44844213301428 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.560813820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): 1 Sr 0.45785129687295 0.08362595306185 0.69150759176998 87.620 > 1 2 Sr 0.95785129687295 0.08362595306185 0.69150759176998 87.620 > 1 3 Sr 0.04214870312705 0.91637404693815 0.30849240823002 87.620 > 3 4 Sr 0.54214870312705 0.91637404693815 0.30849240823002 87.620 > 3 5 Sr 0.29214870312705 0.91637404693815 0.19150759176998 87.620 > 5 6 Sr 0.79214870312705 0.91637404693815 0.19150759176998 87.620 > 5 7 Sr 0.20785129687295 0.41637404693815 0.30849240823002 87.620 > 7 8 Sr 0.70785129687295 0.41637404693815 0.30849240823002 87.620 > 7 9 Sr 0.45785129687295 0.41637404693815 0.19150759176998 87.620 > 9 10 Sr 0.95785129687295 0.41637404693815 0.19150759176998 87.620 > 9 11 Sr 0.20785129687295 0.08362595306185 0.80849240823002 87.620 > 11 12 Sr 0.70785129687295 0.08362595306185 0.80849240823002 87.620 > 11 13 Sr 0.04214870312705 0.58362595306185 0.80849240823002 87.620 > 13 14 Sr 0.54214870312705 0.58362595306185 0.80849240823002 87.620 > 13 15 Sr 0.29214870312705 0.58362595306185 0.69150759176998 87.620 > 15 16 Sr 0.79214870312705 0.58362595306185 0.69150759176998 87.620 > 15 17 Li 0.14519635997986 0.68324272503587 0.12287510042617 6.941 > 17 18 Li 0.64519635997986 0.68324272503587 0.12287510042617 6.941 > 17 19 Li 0.04724673416505 0.28019080366297 0.88518259068698 6.941 > 19 20 Li 0.54724673416505 0.28019080366297 0.88518259068698 6.941 > 19 21 Li 0.29724673416505 0.21980919633703 0.11481740931302 6.941 > 21 22 Li 0.79724673416505 0.21980919633703 0.11481740931302 6.941 > 21 23 Li 0.35480364002014 0.31675727496413 0.87712489957383 6.941 > 23 24 Li 0.85480364002014 0.31675727496413 0.87712489957383 6.941 > 23 25 Li 0.20275326583495 0.78019080366297 0.88518259068698 6.941 > 25 26 Li 0.70275326583495 0.78019080366297 0.88518259068698 6.941 > 25 27 Li 0.39519635997986 0.81675727496413 0.87712489957383 6.941 > 27 28 Li 0.89519635997986 0.81675727496413 0.87712489957383 6.941 > 27 29 Li 0.10480364002014 0.31675727496413 0.62287510042617 6.941 > 29 30 Li 0.60480364002014 0.31675727496413 0.62287510042617 6.941 > 29 31 Li 0.45275326583495 0.78019080366297 0.61481740931302 6.941 > 31 32 Li 0.95275326583495 0.78019080366297 0.61481740931302 6.941 > 31 33 Li 0.45275326583495 0.71980919633703 0.11481740931302 6.941 > 33 34 Li 0.95275326583495 0.71980919633703 0.11481740931302 6.941 > 33 35 Li 0.04724673416505 0.21980919633703 0.38518259068698 6.941 > 35 36 Li 0.54724673416505 0.21980919633703 0.38518259068698 6.941 > 35 37 Li 0.20275326583495 0.71980919633703 0.38518259068698 6.941 > 37 38 Li 0.70275326583495 0.71980919633703 0.38518259068698 6.941 > 37 39 Li 0.14519635997986 0.81675727496413 0.62287510042617 6.941 > 39 40 Li 0.64519635997986 0.81675727496413 0.62287510042617 6.941 > 39 41 Li 0.39519635997986 0.68324272503587 0.37712489957383 6.941 > 41 42 Li 0.89519635997986 0.68324272503587 0.37712489957383 6.941 > 41 43 Li 0.29724673416505 0.28019080366297 0.61481740931302 6.941 > 43 44 Li 0.79724673416505 0.28019080366297 0.61481740931302 6.941 > 43 45 Li 0.10480364002014 0.18324272503587 0.12287510042617 6.941 > 45 46 Li 0.60480364002014 0.18324272503587 0.12287510042617 6.941 > 45 47 Li 0.35480364002014 0.18324272503587 0.37712489957383 6.941 > 47 48 Li 0.85480364002014 0.18324272503587 0.37712489957383 6.941 > 47 49 Cr 0.30239275033947 0.58239186672081 0.04734118161557 51.996 > 49 50 Cr 0.80239275033947 0.58239186672081 0.04734118161557 51.996 > 49 51 Cr 0.05239275033947 0.58239186672081 0.45265881838443 51.996 > 51 52 Cr 0.55239275033947 0.58239186672081 0.45265881838443 51.996 > 51 53 Cr 0.44760724966053 0.41760813327919 0.54734118161557 51.996 > 53 54 Cr 0.94760724966053 0.41760813327919 0.54734118161557 51.996 > 53 55 Cr 0.19760724966053 0.41760813327919 0.95265881838443 51.996 > 55 56 Cr 0.69760724966053 0.41760813327919 0.95265881838443 51.996 > 55 57 Cr 0.05239275033947 0.91760813327919 0.95265881838443 51.996 > 57 58 Cr 0.55239275033947 0.91760813327919 0.95265881838443 51.996 > 57 59 Cr 0.30239275033947 0.91760813327919 0.54734118161557 51.996 > 59 60 Cr 0.80239275033947 0.91760813327919 0.54734118161557 51.996 > 59 61 Cr 0.44760724966053 0.08239186672081 0.04734118161557 51.996 > 61 62 Cr 0.94760724966053 0.08239186672081 0.04734118161557 51.996 > 61 63 Cr 0.19760724966053 0.08239186672081 0.45265881838443 51.996 > 63 64 Cr 0.69760724966053 0.08239186672081 0.45265881838443 51.996 > 63 65 N 0.30176364983871 0.09573585572624 0.56748609622870 14.007 > 65 66 N 0.80176364983871 0.09573585572624 0.56748609622870 14.007 > 65 67 N 0.46337145354420 0.34433152273038 0.71655703353029 14.007 > 67 68 N 0.96337145354420 0.34433152273038 0.71655703353029 14.007 > 67 69 N 0.39548452350360 0.62733725185548 0.94844213301428 14.007 > 69 70 N 0.89548452350360 0.62733725185548 0.94844213301428 14.007 > 69 71 N 0.05176364983871 0.40426414427376 0.43251390377130 14.007 > 71 72 N 0.55176364983871 0.40426414427376 0.43251390377130 14.007 > 71 73 N 0.28662854645580 0.84433152273038 0.71655703353029 14.007 > 73 74 N 0.78662854645580 0.84433152273038 0.71655703353029 14.007 > 73 75 N 0.19823635016129 0.59573585572624 0.93251390377130 14.007 > 75 76 N 0.69823635016129 0.59573585572624 0.93251390377130 14.007 > 75 77 N 0.35451547649640 0.12733725185548 0.94844213301428 14.007 > 77 78 N 0.85451547649640 0.12733725185548 0.94844213301428 14.007 > 77 79 N 0.46337145354420 0.15566847726962 0.21655703353029 14.007 > 79 80 N 0.96337145354420 0.15566847726962 0.21655703353029 14.007 > 79 81 N 0.14548452350360 0.87266274814452 0.05155786698572 14.007 > 81 82 N 0.64548452350360 0.87266274814452 0.05155786698572 14.007 > 81 83 N 0.10451547649640 0.37266274814452 0.05155786698572 14.007 > 83 84 N 0.60451547649640 0.37266274814452 0.05155786698572 14.007 > 83 85 N 0.03662854645580 0.65566847726962 0.28344296646971 14.007 > 85 86 N 0.53662854645580 0.65566847726962 0.28344296646971 14.007 > 85 87 N 0.21337145354420 0.34433152273038 0.78344296646971 14.007 > 87 88 N 0.71337145354420 0.34433152273038 0.78344296646971 14.007 > 87 89 N 0.05176364983871 0.09573585572624 0.93251390377130 14.007 > 89 90 N 0.55176364983871 0.09573585572624 0.93251390377130 14.007 > 89 91 N 0.28662854645580 0.65566847726962 0.21655703353029 14.007 > 91 92 N 0.78662854645580 0.65566847726962 0.21655703353029 14.007 > 91 93 N 0.21337145354420 0.15566847726962 0.28344296646971 14.007 > 93 94 N 0.71337145354420 0.15566847726962 0.28344296646971 14.007 > 93 95 N 0.10451547649640 0.12733725185548 0.55155786698572 14.007 > 95 96 N 0.60451547649640 0.12733725185548 0.55155786698572 14.007 > 95 97 N 0.03662854645580 0.84433152273038 0.78344296646971 14.007 > 97 98 N 0.53662854645580 0.84433152273038 0.78344296646971 14.007 > 97 99 N 0.30176364983871 0.40426414427376 0.06748609622870 14.007 > 99 100 N 0.80176364983871 0.40426414427376 0.06748609622870 14.007 > 99 101 N 0.39548452350360 0.87266274814452 0.44844213301428 14.007 > 101 102 N 0.89548452350360 0.87266274814452 0.44844213301428 14.007 > 101 103 N 0.14548452350360 0.62733725185548 0.55155786698572 14.007 > 103 104 N 0.64548452350360 0.62733725185548 0.55155786698572 14.007 > 103 105 N 0.19823635016129 0.90426414427376 0.43251390377130 14.007 > 105 106 N 0.69823635016129 0.90426414427376 0.43251390377130 14.007 > 105 107 N 0.44823635016129 0.90426414427376 0.06748609622870 14.007 > 107 108 N 0.94823635016129 0.90426414427376 0.06748609622870 14.007 > 107 109 N 0.44823635016129 0.59573585572624 0.56748609622870 14.007 > 109 110 N 0.94823635016129 0.59573585572624 0.56748609622870 14.007 > 109 111 N 0.35451547649640 0.37266274814452 0.44844213301428 14.007 > 111 112 N 0.85451547649640 0.37266274814452 0.44844213301428 14.007 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4790555 0.0000000 0.0000000 0.0000000 6.4561033 0.0000000 0.0000000 0.0000000 6.2749355 -------------------------- Born effective charges -------------------------- 1 Sr 2.8874833 0.3979172 0.2476339 0.0555698 2.0626170 -0.1596519 0.3231288 -0.6001685 2.6439904 2 Sr 2.8874833 0.3979172 0.2476339 0.0555698 2.0626170 -0.1596519 0.3231288 -0.6001685 2.6439904 3 Sr 2.8874833 0.3979172 -0.2476339 0.0555698 2.0626170 0.1596519 -0.3231288 0.6001685 2.6439904 4 Sr 2.8874833 -0.3979172 -0.2476339 -0.0555698 2.0626170 -0.1596519 -0.3231288 -0.6001685 2.6439904 5 Sr 2.8874833 -0.3979172 0.2476339 -0.0555698 2.0626170 0.1596519 0.3231288 0.6001685 2.6439904 6 Sr 2.8874833 0.3979172 -0.2476339 0.0555698 2.0626170 0.1596519 -0.3231288 0.6001685 2.6439904 7 Sr 2.8874833 -0.3979172 0.2476339 -0.0555698 2.0626170 0.1596519 0.3231288 0.6001685 2.6439904 8 Sr 2.8874833 -0.3979172 -0.2476339 -0.0555698 2.0626170 -0.1596519 -0.3231288 -0.6001685 2.6439904 9 Li 1.0306147 -0.4359465 -0.1337259 -0.2526388 1.1744972 -0.1141986 -0.5310792 -0.0964169 0.9983791 10 Li 1.0805252 0.3966351 0.1563305 0.3548967 1.2789132 -0.2811621 0.3452614 -0.2074211 0.9738606 11 Li 1.0805252 -0.3966351 -0.1563305 -0.3548967 1.2789132 -0.2811621 -0.3452614 -0.2074211 0.9738606 12 Li 1.0306147 -0.4359465 -0.1337259 -0.2526388 1.1744972 -0.1141986 -0.5310792 -0.0964169 0.9983791 13 Li 1.0805252 -0.3966351 -0.1563305 -0.3548967 1.2789132 -0.2811621 -0.3452614 -0.2074211 0.9738606 14 Li 1.0306147 0.4359465 0.1337259 0.2526388 1.1744972 -0.1141986 0.5310792 -0.0964169 0.9983791 15 Li 1.0306147 -0.4359465 0.1337259 -0.2526388 1.1744972 0.1141986 0.5310792 0.0964169 0.9983791 16 Li 1.0805252 -0.3966351 0.1563305 -0.3548967 1.2789132 0.2811621 0.3452614 0.2074211 0.9738606 17 Li 1.0805252 0.3966351 0.1563305 0.3548967 1.2789132 -0.2811621 0.3452614 -0.2074211 0.9738606 18 Li 1.0805252 -0.3966351 0.1563305 -0.3548967 1.2789132 0.2811621 0.3452614 0.2074211 0.9738606 19 Li 1.0805252 0.3966351 -0.1563305 0.3548967 1.2789132 0.2811621 -0.3452614 0.2074211 0.9738606 20 Li 1.0306147 0.4359465 -0.1337259 0.2526388 1.1744972 0.1141986 -0.5310792 0.0964169 0.9983791 21 Li 1.0306147 -0.4359465 0.1337259 -0.2526388 1.1744972 0.1141986 0.5310792 0.0964169 0.9983791 22 Li 1.0805252 0.3966351 -0.1563305 0.3548967 1.2789132 0.2811621 -0.3452614 0.2074211 0.9738606 23 Li 1.0306147 0.4359465 0.1337259 0.2526388 1.1744972 -0.1141986 0.5310792 -0.0964169 0.9983791 24 Li 1.0306147 0.4359465 -0.1337259 0.2526388 1.1744972 0.1141986 -0.5310792 0.0964169 0.9983791 25 Cr 1.4901134 0.6579905 -1.2266868 0.6490094 0.5397778 0.5719553 -1.1957811 0.7050172 2.2573547 26 Cr 1.4901134 0.6579905 1.2266868 0.6490094 0.5397778 -0.5719553 1.1957811 -0.7050172 2.2573547 27 Cr 1.4901134 0.6579905 1.2266868 0.6490094 0.5397778 -0.5719553 1.1957811 -0.7050172 2.2573547 28 Cr 1.4901134 0.6579905 -1.2266868 0.6490094 0.5397778 0.5719553 -1.1957811 0.7050172 2.2573547 29 Cr 1.4901134 -0.6579905 1.2266868 -0.6490094 0.5397778 0.5719553 1.1957811 0.7050172 2.2573547 30 Cr 1.4901134 -0.6579905 -1.2266868 -0.6490094 0.5397778 -0.5719553 -1.1957811 -0.7050172 2.2573547 31 Cr 1.4901134 -0.6579905 1.2266868 -0.6490094 0.5397778 0.5719553 1.1957811 0.7050172 2.2573547 32 Cr 1.4901134 -0.6579905 -1.2266868 -0.6490094 0.5397778 -0.5719553 -1.1957811 -0.7050172 2.2573547 33 N -1.7113467 -0.5799720 -0.3838026 -0.4451622 -1.4944492 -0.3138967 -0.3282007 -0.3108586 -1.4416601 34 N -1.3960141 0.0569311 -0.2629699 -0.0056107 -2.1165661 1.2164379 -0.3945150 1.1362984 -3.4222255 35 N -3.3813756 -0.7886289 1.4032569 -1.0837642 -1.4447900 0.5332958 1.0707954 0.3039133 -2.0096993 36 N -1.7113467 0.5799720 0.3838026 0.4451622 -1.4944492 -0.3138967 0.3282007 -0.3108586 -1.4416601 37 N -1.3960141 -0.0569311 0.2629699 0.0056107 -2.1165661 1.2164379 0.3945150 1.1362984 -3.4222255 38 N -1.7113467 0.5799720 -0.3838026 0.4451622 -1.4944492 0.3138967 -0.3282007 0.3108586 -1.4416601 39 N -3.3813756 0.7886289 -1.4032569 1.0837642 -1.4447900 0.5332958 -1.0707954 0.3039133 -2.0096993 40 N -1.3960141 -0.0569311 -0.2629699 0.0056107 -2.1165661 -1.2164379 -0.3945150 -1.1362984 -3.4222255 41 N -3.3813756 0.7886289 -1.4032569 1.0837642 -1.4447900 0.5332958 -1.0707954 0.3039133 -2.0096993 42 N -3.3813756 -0.7886289 1.4032569 -1.0837642 -1.4447900 0.5332958 1.0707954 0.3039133 -2.0096993 43 N -1.3960141 0.0569311 -0.2629699 -0.0056107 -2.1165661 1.2164379 -0.3945150 1.1362984 -3.4222255 44 N -1.3960141 0.0569311 0.2629699 -0.0056107 -2.1165661 -1.2164379 0.3945150 -1.1362984 -3.4222255 45 N -1.7113467 -0.5799720 0.3838026 -0.4451622 -1.4944492 0.3138967 0.3282007 0.3108586 -1.4416601 46 N -1.3960141 0.0569311 0.2629699 -0.0056107 -2.1165661 -1.2164379 0.3945150 -1.1362984 -3.4222255 47 N -1.3960141 -0.0569311 0.2629699 0.0056107 -2.1165661 1.2164379 0.3945150 1.1362984 -3.4222255 48 N -3.3813756 0.7886289 1.4032569 1.0837642 -1.4447900 -0.5332958 1.0707954 -0.3039133 -2.0096993 49 N -1.3960141 -0.0569311 -0.2629699 0.0056107 -2.1165661 -1.2164379 -0.3945150 -1.1362984 -3.4222255 50 N -1.7113467 0.5799720 -0.3838026 0.4451622 -1.4944492 0.3138967 -0.3282007 0.3108586 -1.4416601 51 N -3.3813756 0.7886289 1.4032569 1.0837642 -1.4447900 -0.5332958 1.0707954 -0.3039133 -2.0096993 52 N -3.3813756 -0.7886289 -1.4032569 -1.0837642 -1.4447900 -0.5332958 -1.0707954 -0.3039133 -2.0096993 53 N -1.7113467 -0.5799720 -0.3838026 -0.4451622 -1.4944492 -0.3138967 -0.3282007 -0.3108586 -1.4416601 54 N -1.7113467 -0.5799720 0.3838026 -0.4451622 -1.4944492 0.3138967 0.3282007 0.3108586 -1.4416601 55 N -1.7113467 0.5799720 0.3838026 0.4451622 -1.4944492 -0.3138967 0.3282007 -0.3108586 -1.4416601 56 N -3.3813756 -0.7886289 -1.4032569 -1.0837642 -1.4447900 -0.5332958 -1.0707954 -0.3039133 -2.0096993 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:44:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:44:43]------------------------- 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.280406910000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): 1 Sr 0.91570259374591 0.08362595306185 0.69150759176998 87.620 2 Sr 0.08429740625409 0.91637404693815 0.30849240823002 87.620 3 Sr 0.58429740625409 0.91637404693815 0.19150759176998 87.620 4 Sr 0.41570259374591 0.41637404693815 0.30849240823002 87.620 5 Sr 0.91570259374591 0.41637404693815 0.19150759176998 87.620 6 Sr 0.41570259374591 0.08362595306185 0.80849240823002 87.620 7 Sr 0.08429740625409 0.58362595306185 0.80849240823002 87.620 8 Sr 0.58429740625409 0.58362595306185 0.69150759176998 87.620 9 Li 0.29039271995972 0.68324272503587 0.12287510042617 6.941 10 Li 0.09449346833011 0.28019080366297 0.88518259068698 6.941 11 Li 0.59449346833011 0.21980919633703 0.11481740931302 6.941 12 Li 0.70960728004028 0.31675727496413 0.87712489957383 6.941 13 Li 0.40550653166989 0.78019080366297 0.88518259068698 6.941 14 Li 0.79039271995972 0.81675727496413 0.87712489957383 6.941 15 Li 0.20960728004028 0.31675727496413 0.62287510042617 6.941 16 Li 0.90550653166989 0.78019080366297 0.61481740931302 6.941 17 Li 0.90550653166989 0.71980919633703 0.11481740931302 6.941 18 Li 0.09449346833011 0.21980919633703 0.38518259068698 6.941 19 Li 0.40550653166989 0.71980919633703 0.38518259068698 6.941 20 Li 0.29039271995972 0.81675727496413 0.62287510042617 6.941 21 Li 0.79039271995972 0.68324272503587 0.37712489957383 6.941 22 Li 0.59449346833011 0.28019080366297 0.61481740931302 6.941 23 Li 0.20960728004028 0.18324272503587 0.12287510042617 6.941 24 Li 0.70960728004028 0.18324272503587 0.37712489957383 6.941 25 Cr 0.60478550067893 0.58239186672081 0.04734118161557 51.996 26 Cr 0.10478550067893 0.58239186672081 0.45265881838443 51.996 27 Cr 0.89521449932107 0.41760813327919 0.54734118161557 51.996 28 Cr 0.39521449932107 0.41760813327919 0.95265881838443 51.996 29 Cr 0.10478550067893 0.91760813327919 0.95265881838443 51.996 30 Cr 0.60478550067893 0.91760813327919 0.54734118161557 51.996 31 Cr 0.89521449932107 0.08239186672081 0.04734118161557 51.996 32 Cr 0.39521449932107 0.08239186672081 0.45265881838443 51.996 33 N 0.60352729967743 0.09573585572624 0.56748609622870 14.007 34 N 0.92674290708840 0.34433152273038 0.71655703353029 14.007 35 N 0.79096904700720 0.62733725185548 0.94844213301428 14.007 36 N 0.10352729967743 0.40426414427376 0.43251390377130 14.007 37 N 0.57325709291160 0.84433152273038 0.71655703353029 14.007 38 N 0.39647270032257 0.59573585572624 0.93251390377130 14.007 39 N 0.70903095299280 0.12733725185548 0.94844213301428 14.007 40 N 0.92674290708840 0.15566847726962 0.21655703353029 14.007 41 N 0.29096904700720 0.87266274814452 0.05155786698572 14.007 42 N 0.20903095299280 0.37266274814452 0.05155786698572 14.007 43 N 0.07325709291160 0.65566847726962 0.28344296646971 14.007 44 N 0.42674290708840 0.34433152273038 0.78344296646971 14.007 45 N 0.10352729967743 0.09573585572624 0.93251390377130 14.007 46 N 0.57325709291160 0.65566847726962 0.21655703353029 14.007 47 N 0.42674290708840 0.15566847726962 0.28344296646971 14.007 48 N 0.20903095299280 0.12733725185548 0.55155786698572 14.007 49 N 0.07325709291160 0.84433152273038 0.78344296646971 14.007 50 N 0.60352729967743 0.40426414427376 0.06748609622870 14.007 51 N 0.79096904700720 0.87266274814452 0.44844213301428 14.007 52 N 0.29096904700720 0.62733725185548 0.55155786698572 14.007 53 N 0.39647270032257 0.90426414427376 0.43251390377130 14.007 54 N 0.89647270032257 0.90426414427376 0.06748609622870 14.007 55 N 0.89647270032257 0.59573585572624 0.56748609622870 14.007 56 N 0.70903095299280 0.37266274814452 0.44844213301428 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.560813820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.424030119999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.044645450000001 Atomic positions (fractional): 1 Sr 0.45785129687295 0.08362595306185 0.69150759176998 87.620 > 1 2 Sr 0.95785129687295 0.08362595306185 0.69150759176998 87.620 > 1 3 Sr 0.04214870312705 0.91637404693815 0.30849240823002 87.620 > 3 4 Sr 0.54214870312705 0.91637404693815 0.30849240823002 87.620 > 3 5 Sr 0.29214870312705 0.91637404693815 0.19150759176998 87.620 > 5 6 Sr 0.79214870312705 0.91637404693815 0.19150759176998 87.620 > 5 7 Sr 0.20785129687295 0.41637404693815 0.30849240823002 87.620 > 7 8 Sr 0.70785129687295 0.41637404693815 0.30849240823002 87.620 > 7 9 Sr 0.45785129687295 0.41637404693815 0.19150759176998 87.620 > 9 10 Sr 0.95785129687295 0.41637404693815 0.19150759176998 87.620 > 9 11 Sr 0.20785129687295 0.08362595306185 0.80849240823002 87.620 > 11 12 Sr 0.70785129687295 0.08362595306185 0.80849240823002 87.620 > 11 13 Sr 0.04214870312705 0.58362595306185 0.80849240823002 87.620 > 13 14 Sr 0.54214870312705 0.58362595306185 0.80849240823002 87.620 > 13 15 Sr 0.29214870312705 0.58362595306185 0.69150759176998 87.620 > 15 16 Sr 0.79214870312705 0.58362595306185 0.69150759176998 87.620 > 15 17 Li 0.14519635997986 0.68324272503587 0.12287510042617 6.941 > 17 18 Li 0.64519635997986 0.68324272503587 0.12287510042617 6.941 > 17 19 Li 0.04724673416505 0.28019080366297 0.88518259068698 6.941 > 19 20 Li 0.54724673416505 0.28019080366297 0.88518259068698 6.941 > 19 21 Li 0.29724673416505 0.21980919633703 0.11481740931302 6.941 > 21 22 Li 0.79724673416505 0.21980919633703 0.11481740931302 6.941 > 21 23 Li 0.35480364002014 0.31675727496413 0.87712489957383 6.941 > 23 24 Li 0.85480364002014 0.31675727496413 0.87712489957383 6.941 > 23 25 Li 0.20275326583495 0.78019080366297 0.88518259068698 6.941 > 25 26 Li 0.70275326583495 0.78019080366297 0.88518259068698 6.941 > 25 27 Li 0.39519635997986 0.81675727496413 0.87712489957383 6.941 > 27 28 Li 0.89519635997986 0.81675727496413 0.87712489957383 6.941 > 27 29 Li 0.10480364002014 0.31675727496413 0.62287510042617 6.941 > 29 30 Li 0.60480364002014 0.31675727496413 0.62287510042617 6.941 > 29 31 Li 0.45275326583495 0.78019080366297 0.61481740931302 6.941 > 31 32 Li 0.95275326583495 0.78019080366297 0.61481740931302 6.941 > 31 33 Li 0.45275326583495 0.71980919633703 0.11481740931302 6.941 > 33 34 Li 0.95275326583495 0.71980919633703 0.11481740931302 6.941 > 33 35 Li 0.04724673416505 0.21980919633703 0.38518259068698 6.941 > 35 36 Li 0.54724673416505 0.21980919633703 0.38518259068698 6.941 > 35 37 Li 0.20275326583495 0.71980919633703 0.38518259068698 6.941 > 37 38 Li 0.70275326583495 0.71980919633703 0.38518259068698 6.941 > 37 39 Li 0.14519635997986 0.81675727496413 0.62287510042617 6.941 > 39 40 Li 0.64519635997986 0.81675727496413 0.62287510042617 6.941 > 39 41 Li 0.39519635997986 0.68324272503587 0.37712489957383 6.941 > 41 42 Li 0.89519635997986 0.68324272503587 0.37712489957383 6.941 > 41 43 Li 0.29724673416505 0.28019080366297 0.61481740931302 6.941 > 43 44 Li 0.79724673416505 0.28019080366297 0.61481740931302 6.941 > 43 45 Li 0.10480364002014 0.18324272503587 0.12287510042617 6.941 > 45 46 Li 0.60480364002014 0.18324272503587 0.12287510042617 6.941 > 45 47 Li 0.35480364002014 0.18324272503587 0.37712489957383 6.941 > 47 48 Li 0.85480364002014 0.18324272503587 0.37712489957383 6.941 > 47 49 Cr 0.30239275033947 0.58239186672081 0.04734118161557 51.996 > 49 50 Cr 0.80239275033947 0.58239186672081 0.04734118161557 51.996 > 49 51 Cr 0.05239275033947 0.58239186672081 0.45265881838443 51.996 > 51 52 Cr 0.55239275033947 0.58239186672081 0.45265881838443 51.996 > 51 53 Cr 0.44760724966053 0.41760813327919 0.54734118161557 51.996 > 53 54 Cr 0.94760724966053 0.41760813327919 0.54734118161557 51.996 > 53 55 Cr 0.19760724966053 0.41760813327919 0.95265881838443 51.996 > 55 56 Cr 0.69760724966053 0.41760813327919 0.95265881838443 51.996 > 55 57 Cr 0.05239275033947 0.91760813327919 0.95265881838443 51.996 > 57 58 Cr 0.55239275033947 0.91760813327919 0.95265881838443 51.996 > 57 59 Cr 0.30239275033947 0.91760813327919 0.54734118161557 51.996 > 59 60 Cr 0.80239275033947 0.91760813327919 0.54734118161557 51.996 > 59 61 Cr 0.44760724966053 0.08239186672081 0.04734118161557 51.996 > 61 62 Cr 0.94760724966053 0.08239186672081 0.04734118161557 51.996 > 61 63 Cr 0.19760724966053 0.08239186672081 0.45265881838443 51.996 > 63 64 Cr 0.69760724966053 0.08239186672081 0.45265881838443 51.996 > 63 65 N 0.30176364983871 0.09573585572624 0.56748609622870 14.007 > 65 66 N 0.80176364983871 0.09573585572624 0.56748609622870 14.007 > 65 67 N 0.46337145354420 0.34433152273038 0.71655703353029 14.007 > 67 68 N 0.96337145354420 0.34433152273038 0.71655703353029 14.007 > 67 69 N 0.39548452350360 0.62733725185548 0.94844213301428 14.007 > 69 70 N 0.89548452350360 0.62733725185548 0.94844213301428 14.007 > 69 71 N 0.05176364983871 0.40426414427376 0.43251390377130 14.007 > 71 72 N 0.55176364983871 0.40426414427376 0.43251390377130 14.007 > 71 73 N 0.28662854645580 0.84433152273038 0.71655703353029 14.007 > 73 74 N 0.78662854645580 0.84433152273038 0.71655703353029 14.007 > 73 75 N 0.19823635016129 0.59573585572624 0.93251390377130 14.007 > 75 76 N 0.69823635016129 0.59573585572624 0.93251390377130 14.007 > 75 77 N 0.35451547649640 0.12733725185548 0.94844213301428 14.007 > 77 78 N 0.85451547649640 0.12733725185548 0.94844213301428 14.007 > 77 79 N 0.46337145354420 0.15566847726962 0.21655703353029 14.007 > 79 80 N 0.96337145354420 0.15566847726962 0.21655703353029 14.007 > 79 81 N 0.14548452350360 0.87266274814452 0.05155786698572 14.007 > 81 82 N 0.64548452350360 0.87266274814452 0.05155786698572 14.007 > 81 83 N 0.10451547649640 0.37266274814452 0.05155786698572 14.007 > 83 84 N 0.60451547649640 0.37266274814452 0.05155786698572 14.007 > 83 85 N 0.03662854645580 0.65566847726962 0.28344296646971 14.007 > 85 86 N 0.53662854645580 0.65566847726962 0.28344296646971 14.007 > 85 87 N 0.21337145354420 0.34433152273038 0.78344296646971 14.007 > 87 88 N 0.71337145354420 0.34433152273038 0.78344296646971 14.007 > 87 89 N 0.05176364983871 0.09573585572624 0.93251390377130 14.007 > 89 90 N 0.55176364983871 0.09573585572624 0.93251390377130 14.007 > 89 91 N 0.28662854645580 0.65566847726962 0.21655703353029 14.007 > 91 92 N 0.78662854645580 0.65566847726962 0.21655703353029 14.007 > 91 93 N 0.21337145354420 0.15566847726962 0.28344296646971 14.007 > 93 94 N 0.71337145354420 0.15566847726962 0.28344296646971 14.007 > 93 95 N 0.10451547649640 0.12733725185548 0.55155786698572 14.007 > 95 96 N 0.60451547649640 0.12733725185548 0.55155786698572 14.007 > 95 97 N 0.03662854645580 0.84433152273038 0.78344296646971 14.007 > 97 98 N 0.53662854645580 0.84433152273038 0.78344296646971 14.007 > 97 99 N 0.30176364983871 0.40426414427376 0.06748609622870 14.007 > 99 100 N 0.80176364983871 0.40426414427376 0.06748609622870 14.007 > 99 101 N 0.39548452350360 0.87266274814452 0.44844213301428 14.007 > 101 102 N 0.89548452350360 0.87266274814452 0.44844213301428 14.007 > 101 103 N 0.14548452350360 0.62733725185548 0.55155786698572 14.007 > 103 104 N 0.64548452350360 0.62733725185548 0.55155786698572 14.007 > 103 105 N 0.19823635016129 0.90426414427376 0.43251390377130 14.007 > 105 106 N 0.69823635016129 0.90426414427376 0.43251390377130 14.007 > 105 107 N 0.44823635016129 0.90426414427376 0.06748609622870 14.007 > 107 108 N 0.94823635016129 0.90426414427376 0.06748609622870 14.007 > 107 109 N 0.44823635016129 0.59573585572624 0.56748609622870 14.007 > 109 110 N 0.94823635016129 0.59573585572624 0.56748609622870 14.007 > 109 111 N 0.35451547649640 0.37266274814452 0.44844213301428 14.007 > 111 112 N 0.85451547649640 0.37266274814452 0.44844213301428 14.007 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4790555 0.0000000 0.0000000 0.0000000 6.4561033 0.0000000 0.0000000 0.0000000 6.2749355 -------------------------- Born effective charges -------------------------- 1 Sr 2.8874833 0.3979172 0.2476339 0.0555698 2.0626170 -0.1596519 0.3231288 -0.6001685 2.6439904 2 Sr 2.8874833 0.3979172 0.2476339 0.0555698 2.0626170 -0.1596519 0.3231288 -0.6001685 2.6439904 3 Sr 2.8874833 0.3979172 -0.2476339 0.0555698 2.0626170 0.1596519 -0.3231288 0.6001685 2.6439904 4 Sr 2.8874833 -0.3979172 -0.2476339 -0.0555698 2.0626170 -0.1596519 -0.3231288 -0.6001685 2.6439904 5 Sr 2.8874833 -0.3979172 0.2476339 -0.0555698 2.0626170 0.1596519 0.3231288 0.6001685 2.6439904 6 Sr 2.8874833 0.3979172 -0.2476339 0.0555698 2.0626170 0.1596519 -0.3231288 0.6001685 2.6439904 7 Sr 2.8874833 -0.3979172 0.2476339 -0.0555698 2.0626170 0.1596519 0.3231288 0.6001685 2.6439904 8 Sr 2.8874833 -0.3979172 -0.2476339 -0.0555698 2.0626170 -0.1596519 -0.3231288 -0.6001685 2.6439904 9 Li 1.0306147 -0.4359465 -0.1337259 -0.2526388 1.1744972 -0.1141986 -0.5310792 -0.0964169 0.9983791 10 Li 1.0805252 0.3966351 0.1563305 0.3548967 1.2789132 -0.2811621 0.3452614 -0.2074211 0.9738606 11 Li 1.0805252 -0.3966351 -0.1563305 -0.3548967 1.2789132 -0.2811621 -0.3452614 -0.2074211 0.9738606 12 Li 1.0306147 -0.4359465 -0.1337259 -0.2526388 1.1744972 -0.1141986 -0.5310792 -0.0964169 0.9983791 13 Li 1.0805252 -0.3966351 -0.1563305 -0.3548967 1.2789132 -0.2811621 -0.3452614 -0.2074211 0.9738606 14 Li 1.0306147 0.4359465 0.1337259 0.2526388 1.1744972 -0.1141986 0.5310792 -0.0964169 0.9983791 15 Li 1.0306147 -0.4359465 0.1337259 -0.2526388 1.1744972 0.1141986 0.5310792 0.0964169 0.9983791 16 Li 1.0805252 -0.3966351 0.1563305 -0.3548967 1.2789132 0.2811621 0.3452614 0.2074211 0.9738606 17 Li 1.0805252 0.3966351 0.1563305 0.3548967 1.2789132 -0.2811621 0.3452614 -0.2074211 0.9738606 18 Li 1.0805252 -0.3966351 0.1563305 -0.3548967 1.2789132 0.2811621 0.3452614 0.2074211 0.9738606 19 Li 1.0805252 0.3966351 -0.1563305 0.3548967 1.2789132 0.2811621 -0.3452614 0.2074211 0.9738606 20 Li 1.0306147 0.4359465 -0.1337259 0.2526388 1.1744972 0.1141986 -0.5310792 0.0964169 0.9983791 21 Li 1.0306147 -0.4359465 0.1337259 -0.2526388 1.1744972 0.1141986 0.5310792 0.0964169 0.9983791 22 Li 1.0805252 0.3966351 -0.1563305 0.3548967 1.2789132 0.2811621 -0.3452614 0.2074211 0.9738606 23 Li 1.0306147 0.4359465 0.1337259 0.2526388 1.1744972 -0.1141986 0.5310792 -0.0964169 0.9983791 24 Li 1.0306147 0.4359465 -0.1337259 0.2526388 1.1744972 0.1141986 -0.5310792 0.0964169 0.9983791 25 Cr 1.4901134 0.6579905 -1.2266868 0.6490094 0.5397778 0.5719553 -1.1957811 0.7050172 2.2573547 26 Cr 1.4901134 0.6579905 1.2266868 0.6490094 0.5397778 -0.5719553 1.1957811 -0.7050172 2.2573547 27 Cr 1.4901134 0.6579905 1.2266868 0.6490094 0.5397778 -0.5719553 1.1957811 -0.7050172 2.2573547 28 Cr 1.4901134 0.6579905 -1.2266868 0.6490094 0.5397778 0.5719553 -1.1957811 0.7050172 2.2573547 29 Cr 1.4901134 -0.6579905 1.2266868 -0.6490094 0.5397778 0.5719553 1.1957811 0.7050172 2.2573547 30 Cr 1.4901134 -0.6579905 -1.2266868 -0.6490094 0.5397778 -0.5719553 -1.1957811 -0.7050172 2.2573547 31 Cr 1.4901134 -0.6579905 1.2266868 -0.6490094 0.5397778 0.5719553 1.1957811 0.7050172 2.2573547 32 Cr 1.4901134 -0.6579905 -1.2266868 -0.6490094 0.5397778 -0.5719553 -1.1957811 -0.7050172 2.2573547 33 N -1.7113467 -0.5799720 -0.3838026 -0.4451622 -1.4944492 -0.3138967 -0.3282007 -0.3108586 -1.4416601 34 N -1.3960141 0.0569311 -0.2629699 -0.0056107 -2.1165661 1.2164379 -0.3945150 1.1362984 -3.4222255 35 N -3.3813756 -0.7886289 1.4032569 -1.0837642 -1.4447900 0.5332958 1.0707954 0.3039133 -2.0096993 36 N -1.7113467 0.5799720 0.3838026 0.4451622 -1.4944492 -0.3138967 0.3282007 -0.3108586 -1.4416601 37 N -1.3960141 -0.0569311 0.2629699 0.0056107 -2.1165661 1.2164379 0.3945150 1.1362984 -3.4222255 38 N -1.7113467 0.5799720 -0.3838026 0.4451622 -1.4944492 0.3138967 -0.3282007 0.3108586 -1.4416601 39 N -3.3813756 0.7886289 -1.4032569 1.0837642 -1.4447900 0.5332958 -1.0707954 0.3039133 -2.0096993 40 N -1.3960141 -0.0569311 -0.2629699 0.0056107 -2.1165661 -1.2164379 -0.3945150 -1.1362984 -3.4222255 41 N -3.3813756 0.7886289 -1.4032569 1.0837642 -1.4447900 0.5332958 -1.0707954 0.3039133 -2.0096993 42 N -3.3813756 -0.7886289 1.4032569 -1.0837642 -1.4447900 0.5332958 1.0707954 0.3039133 -2.0096993 43 N -1.3960141 0.0569311 -0.2629699 -0.0056107 -2.1165661 1.2164379 -0.3945150 1.1362984 -3.4222255 44 N -1.3960141 0.0569311 0.2629699 -0.0056107 -2.1165661 -1.2164379 0.3945150 -1.1362984 -3.4222255 45 N -1.7113467 -0.5799720 0.3838026 -0.4451622 -1.4944492 0.3138967 0.3282007 0.3108586 -1.4416601 46 N -1.3960141 0.0569311 0.2629699 -0.0056107 -2.1165661 -1.2164379 0.3945150 -1.1362984 -3.4222255 47 N -1.3960141 -0.0569311 0.2629699 0.0056107 -2.1165661 1.2164379 0.3945150 1.1362984 -3.4222255 48 N -3.3813756 0.7886289 1.4032569 1.0837642 -1.4447900 -0.5332958 1.0707954 -0.3039133 -2.0096993 49 N -1.3960141 -0.0569311 -0.2629699 0.0056107 -2.1165661 -1.2164379 -0.3945150 -1.1362984 -3.4222255 50 N -1.7113467 0.5799720 -0.3838026 0.4451622 -1.4944492 0.3138967 -0.3282007 0.3108586 -1.4416601 51 N -3.3813756 0.7886289 1.4032569 1.0837642 -1.4447900 -0.5332958 1.0707954 -0.3039133 -2.0096993 52 N -3.3813756 -0.7886289 -1.4032569 -1.0837642 -1.4447900 -0.5332958 -1.0707954 -0.3039133 -2.0096993 53 N -1.7113467 -0.5799720 -0.3838026 -0.4451622 -1.4944492 -0.3138967 -0.3282007 -0.3108586 -1.4416601 54 N -1.7113467 -0.5799720 0.3838026 -0.4451622 -1.4944492 0.3138967 0.3282007 0.3108586 -1.4416601 55 N -1.7113467 0.5799720 0.3838026 0.4451622 -1.4944492 -0.3138967 0.3282007 -0.3108586 -1.4416601 56 N -3.3813756 -0.7886289 -1.4032569 -1.0837642 -1.4447900 -0.5332958 -1.0707954 -0.3039133 -2.0096993 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 6 ] 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: 0.47, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 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 2.715 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.628 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.655 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 11.931 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 0.000) 0.000 12.937 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 13.254 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 13.346 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.488 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 13.894 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.155 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 14.356 ( 0.000 0.000 0.000) 0.000 14.517 ( 0.000 0.000 0.000) 0.000 14.526 ( 0.000 0.000 0.000) 0.000 14.720 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 14.854 ( 0.000 0.000 0.000) 0.000 15.046 ( 0.000 0.000 0.000) 0.000 15.143 ( 0.000 0.000 0.000) 0.000 16.164 ( 0.000 0.000 0.000) 0.000 16.620 ( 0.000 0.000 0.000) 0.000 16.684 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 16.830 ( 0.000 0.000 0.000) 0.000 16.925 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 17.609 ( 0.000 0.000 0.000) 0.000 17.662 ( 0.000 0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.814 ( 0.000 0.000 0.000) 0.000 19.004 ( 0.000 0.000 0.000) 0.000 19.049 ( 0.000 0.000 0.000) 0.000 19.161 ( 0.000 0.000 0.000) 0.000 22.427 ( 0.000 0.000 0.000) 0.000 22.512 ( 0.000 0.000 0.000) 0.000 22.760 ( 0.000 0.000 0.000) 0.000 22.965 ( 0.000 0.000 0.000) 0.000 23.337 ( 0.000 0.000 0.000) 0.000 23.382 ( 0.000 0.000 0.000) 0.000 23.417 ( 0.000 0.000 0.000) 0.000 23.449 ( 0.000 0.000 0.000) 0.000 24.067 ( 0.000 0.000 0.000) 0.000 24.257 ( 0.000 0.000 0.000) 0.000 24.341 ( 0.000 0.000 0.000) 0.000 24.360 ( 0.000 0.000 0.000) 0.000 24.707 ( 0.000 0.000 0.000) 0.000 24.964 ( 0.000 0.000 0.000) 0.000 25.450 ( 0.000 0.000 0.000) 0.000 25.483 ( 0.000 0.000 0.000) 0.000 25.950 ( 0.000 0.000 0.000) 0.000 25.969 ( 0.000 0.000 0.000) 0.000 26.314 ( 0.000 0.000 0.000) 0.000 26.746 ( 0.000 0.000 0.000) 0.000 26.782 ( 0.000 0.000 0.000) 0.000 26.866 ( 0.000 0.000 0.000) 0.000 27.161 ( 0.000 0.000 0.000) 0.000 27.297 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 37.543 0.000 0.000) 37.543 0.747 ( 37.770 0.000 0.000) 37.770 1.294 ( 64.555 0.000 0.000) 64.555 2.674 ( -1.025 0.000 0.000) 1.025 2.689 ( -3.361 0.000 0.000) 3.361 2.729 ( -2.758 0.000 0.000) 2.758 2.814 ( 1.573 0.000 0.000) 1.573 2.826 ( -0.698 0.000 0.000) 0.698 2.873 ( -1.280 0.000 0.000) 1.280 2.936 ( 2.912 0.000 0.000) 2.912 3.087 ( 4.627 0.000 0.000) 4.627 3.274 ( 3.613 0.000 0.000) 3.613 3.300 ( -4.098 0.000 0.000) 4.098 3.356 ( 1.508 0.000 0.000) 1.508 3.486 ( 3.305 0.000 0.000) 3.305 3.573 ( 10.116 0.000 0.000) 10.116 3.725 ( 0.052 0.000 0.000) 0.052 3.746 ( -2.306 0.000 0.000) 2.306 3.997 ( 2.377 0.000 0.000) 2.377 4.001 ( -6.443 0.000 0.000) 6.443 4.043 ( 2.165 0.000 0.000) 2.165 4.257 ( 6.738 0.000 0.000) 6.738 4.349 ( 5.650 0.000 0.000) 5.650 4.398 ( 0.163 0.000 0.000) 0.163 4.416 ( -2.496 0.000 0.000) 2.496 4.460 ( 7.877 0.000 0.000) 7.877 4.825 ( -5.238 0.000 0.000) 5.238 4.944 ( -18.091 0.000 0.000) 18.091 5.000 ( -4.187 0.000 0.000) 4.187 5.250 ( -12.366 0.000 0.000) 12.366 5.251 ( -3.091 0.000 0.000) 3.091 5.318 ( 7.227 0.000 0.000) 7.227 5.378 ( -11.594 0.000 0.000) 11.594 5.426 ( -17.730 0.000 0.000) 17.730 5.511 ( -0.074 0.000 0.000) 0.074 5.514 ( -3.283 0.000 0.000) 3.283 5.656 ( -3.609 0.000 0.000) 3.609 5.783 ( 3.289 0.000 0.000) 3.289 5.873 ( -8.552 0.000 0.000) 8.552 5.948 ( -0.672 0.000 0.000) 0.672 6.021 ( 15.935 0.000 0.000) 15.935 6.086 ( -1.405 0.000 0.000) 1.405 6.092 ( 1.360 0.000 0.000) 1.360 6.253 ( 12.399 0.000 0.000) 12.399 6.278 ( -6.046 0.000 0.000) 6.046 6.293 ( -1.004 0.000 0.000) 1.004 6.349 ( -5.990 0.000 0.000) 5.990 6.363 ( 11.553 0.000 0.000) 11.553 6.418 ( 7.055 0.000 0.000) 7.055 6.659 ( 6.239 0.000 0.000) 6.239 6.772 ( 5.516 0.000 0.000) 5.516 7.056 ( -1.769 0.000 0.000) 1.769 7.123 ( 4.984 0.000 0.000) 4.984 7.140 ( 6.210 0.000 0.000) 6.210 7.204 ( 1.405 0.000 0.000) 1.405 7.494 ( 3.613 0.000 0.000) 3.613 7.581 ( -3.271 0.000 0.000) 3.271 7.633 ( -0.231 0.000 0.000) 0.231 7.803 ( 0.107 0.000 0.000) 0.107 8.058 ( 6.797 0.000 0.000) 6.797 8.316 ( -1.698 0.000 0.000) 1.698 8.337 ( 7.306 0.000 0.000) 7.306 8.413 ( -6.103 0.000 0.000) 6.103 8.491 ( -8.470 0.000 0.000) 8.470 8.878 ( 1.582 0.000 0.000) 1.582 8.891 ( 1.947 0.000 0.000) 1.947 9.007 ( -6.485 0.000 0.000) 6.485 9.078 ( 4.922 0.000 0.000) 4.922 9.107 ( -0.691 0.000 0.000) 0.691 9.125 ( 3.380 0.000 0.000) 3.380 9.184 ( -6.471 0.000 0.000) 6.471 9.240 ( 2.137 0.000 0.000) 2.137 9.333 ( -1.297 0.000 0.000) 1.297 9.618 ( -3.462 0.000 0.000) 3.462 9.639 ( -5.215 0.000 0.000) 5.215 9.862 ( -0.337 0.000 0.000) 0.337 10.042 ( -4.728 0.000 0.000) 4.728 10.093 ( -7.579 0.000 0.000) 7.579 10.431 ( 3.152 0.000 0.000) 3.152 10.524 ( -1.258 0.000 0.000) 1.258 10.604 ( 14.758 0.000 0.000) 14.758 10.638 ( 0.745 0.000 0.000) 0.745 10.765 ( 8.312 0.000 0.000) 8.312 10.820 ( -9.918 0.000 0.000) 9.918 11.130 ( -0.825 0.000 0.000) 0.825 11.278 ( -1.141 0.000 0.000) 1.141 11.285 ( 6.487 0.000 0.000) 6.487 11.365 ( 1.519 0.000 0.000) 1.519 11.591 ( -8.267 0.000 0.000) 8.267 11.656 ( -2.249 0.000 0.000) 2.249 11.738 ( 3.021 0.000 0.000) 3.021 11.923 ( 4.437 0.000 0.000) 4.437 11.925 ( -0.573 0.000 0.000) 0.573 12.068 ( -0.313 0.000 0.000) 0.313 12.153 ( -1.712 0.000 0.000) 1.712 12.253 ( 1.405 0.000 0.000) 1.405 12.324 ( -2.942 0.000 0.000) 2.942 12.346 ( -4.049 0.000 0.000) 4.049 12.761 ( 12.499 0.000 0.000) 12.499 12.819 ( -0.721 0.000 0.000) 0.721 12.881 ( -2.306 0.000 0.000) 2.306 12.980 ( -7.553 0.000 0.000) 7.553 13.003 ( -5.287 0.000 0.000) 5.287 13.151 ( 0.671 0.000 0.000) 0.671 13.272 ( 0.596 0.000 0.000) 0.596 13.278 ( -0.796 0.000 0.000) 0.796 13.383 ( 1.928 0.000 0.000) 1.928 13.392 ( -0.016 0.000 0.000) 0.016 13.484 ( -0.256 0.000 0.000) 0.256 13.536 ( 4.800 0.000 0.000) 4.800 13.727 ( -3.675 0.000 0.000) 3.675 13.798 ( 3.101 0.000 0.000) 3.101 13.838 ( -4.193 0.000 0.000) 4.193 13.894 ( -4.661 0.000 0.000) 4.661 13.998 ( 8.026 0.000 0.000) 8.026 14.033 ( 2.305 0.000 0.000) 2.305 14.099 ( 5.609 0.000 0.000) 5.609 14.192 ( -0.632 0.000 0.000) 0.632 14.269 ( -2.638 0.000 0.000) 2.638 14.356 ( -1.616 0.000 0.000) 1.616 14.381 ( 2.358 0.000 0.000) 2.358 14.503 ( -1.347 0.000 0.000) 1.347 14.550 ( 1.536 0.000 0.000) 1.536 14.698 ( -1.936 0.000 0.000) 1.936 14.709 ( -3.846 0.000 0.000) 3.846 14.880 ( 2.481 0.000 0.000) 2.481 15.039 ( -0.524 0.000 0.000) 0.524 15.112 ( -2.999 0.000 0.000) 2.999 16.180 ( 1.541 0.000 0.000) 1.541 16.593 ( -2.937 0.000 0.000) 2.937 16.779 ( 1.125 0.000 0.000) 1.125 16.823 ( -0.712 0.000 0.000) 0.712 16.895 ( -5.555 0.000 0.000) 5.555 16.913 ( -0.971 0.000 0.000) 0.971 16.963 ( 0.130 0.000 0.000) 0.130 16.971 ( 0.375 0.000 0.000) 0.375 17.697 ( 7.630 0.000 0.000) 7.630 17.705 ( 4.203 0.000 0.000) 4.203 18.106 ( 0.521 0.000 0.000) 0.521 18.189 ( -1.454 0.000 0.000) 1.454 18.824 ( 0.985 0.000 0.000) 0.985 18.999 ( -0.464 0.000 0.000) 0.464 19.036 ( -1.345 0.000 0.000) 1.345 19.133 ( -2.608 0.000 0.000) 2.608 22.453 ( 2.522 0.000 0.000) 2.522 22.553 ( 4.045 0.000 0.000) 4.045 22.745 ( -1.384 0.000 0.000) 1.384 22.962 ( -0.383 0.000 0.000) 0.383 23.350 ( 1.305 0.000 0.000) 1.305 23.389 ( 0.623 0.000 0.000) 0.623 23.453 ( 0.262 0.000 0.000) 0.262 23.641 ( -2.476 0.000 0.000) 2.476 24.097 ( 3.075 0.000 0.000) 3.075 24.270 ( 1.348 0.000 0.000) 1.348 24.360 ( 1.920 0.000 0.000) 1.920 24.616 ( -2.752 0.000 0.000) 2.752 24.693 ( -1.424 0.000 0.000) 1.424 24.889 ( -6.979 0.000 0.000) 6.979 25.410 ( -3.834 0.000 0.000) 3.834 25.411 ( -5.968 0.000 0.000) 5.968 26.023 ( 6.786 0.000 0.000) 6.786 26.057 ( 7.647 0.000 0.000) 7.647 26.720 ( -2.557 0.000 0.000) 2.557 26.756 ( -2.635 0.000 0.000) 2.635 26.915 ( 4.632 0.000 0.000) 4.632 27.181 ( 1.704 0.000 0.000) 1.704 27.325 ( 2.759 0.000 0.000) 2.759 27.672 ( -1.182 0.000 0.000) 1.182 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 35.386 0.000 0.000) 35.386 1.473 ( 35.788 0.000 0.000) 35.788 2.481 ( 51.763 0.000 0.000) 51.763 2.647 ( -0.674 0.000 0.000) 0.674 2.682 ( -2.363 0.000 0.000) 2.363 2.719 ( 4.586 0.000 0.000) 4.586 2.798 ( -1.659 0.000 0.000) 1.659 2.838 ( 1.329 0.000 0.000) 1.329 2.838 ( -2.628 0.000 0.000) 2.628 2.909 ( -4.270 0.000 0.000) 4.270 3.168 ( 3.609 0.000 0.000) 3.609 3.185 ( -5.190 0.000 0.000) 5.190 3.321 ( 1.237 0.000 0.000) 1.237 3.538 ( 15.326 0.000 0.000) 15.326 3.579 ( 5.854 0.000 0.000) 5.854 3.693 ( 2.565 0.000 0.000) 2.565 3.701 ( -2.220 0.000 0.000) 2.220 3.759 ( 1.943 0.000 0.000) 1.943 3.899 ( -2.451 0.000 0.000) 2.451 4.063 ( 4.381 0.000 0.000) 4.381 4.073 ( -1.488 0.000 0.000) 1.488 4.414 ( 4.872 0.000 0.000) 4.872 4.416 ( 8.598 0.000 0.000) 8.598 4.419 ( 2.667 0.000 0.000) 2.667 4.500 ( 7.396 0.000 0.000) 7.396 4.568 ( -18.932 0.000 0.000) 18.932 4.606 ( 6.639 0.000 0.000) 6.639 4.664 ( -11.843 0.000 0.000) 11.843 4.809 ( -14.867 0.000 0.000) 14.867 5.061 ( -7.957 0.000 0.000) 7.957 5.125 ( -11.277 0.000 0.000) 11.277 5.198 ( -3.828 0.000 0.000) 3.828 5.237 ( -1.447 0.000 0.000) 1.447 5.278 ( -16.591 0.000 0.000) 16.591 5.496 ( -9.570 0.000 0.000) 9.570 5.508 ( 11.955 0.000 0.000) 11.955 5.511 ( -5.672 0.000 0.000) 5.672 5.668 ( -6.363 0.000 0.000) 6.363 5.702 ( -12.248 0.000 0.000) 12.248 5.925 ( -1.381 0.000 0.000) 1.381 5.980 ( -7.325 0.000 0.000) 7.325 6.086 ( -3.216 0.000 0.000) 3.216 6.145 ( -13.194 0.000 0.000) 13.194 6.158 ( -2.023 0.000 0.000) 2.023 6.317 ( 7.941 0.000 0.000) 7.941 6.399 ( 13.302 0.000 0.000) 13.302 6.487 ( 9.515 0.000 0.000) 9.515 6.558 ( 9.752 0.000 0.000) 9.752 6.709 ( 16.821 0.000 0.000) 16.821 6.798 ( 6.947 0.000 0.000) 6.947 6.967 ( 13.893 0.000 0.000) 13.893 7.015 ( -4.000 0.000 0.000) 4.000 7.191 ( 0.727 0.000 0.000) 0.727 7.232 ( 2.592 0.000 0.000) 2.592 7.301 ( 10.118 0.000 0.000) 10.118 7.497 ( -5.182 0.000 0.000) 5.182 7.623 ( 9.175 0.000 0.000) 9.175 7.625 ( -1.641 0.000 0.000) 1.641 7.792 ( -1.281 0.000 0.000) 1.281 8.221 ( 9.301 0.000 0.000) 9.301 8.244 ( -10.361 0.000 0.000) 10.361 8.276 ( -1.850 0.000 0.000) 1.850 8.354 ( -4.654 0.000 0.000) 4.654 8.503 ( 8.737 0.000 0.000) 8.737 8.882 ( -6.887 0.000 0.000) 6.887 8.899 ( 1.221 0.000 0.000) 1.221 8.955 ( 4.975 0.000 0.000) 4.975 8.993 ( -11.454 0.000 0.000) 11.454 9.076 ( -2.683 0.000 0.000) 2.683 9.165 ( 0.155 0.000 0.000) 0.155 9.200 ( 6.743 0.000 0.000) 6.743 9.284 ( 1.778 0.000 0.000) 1.778 9.333 ( 0.417 0.000 0.000) 0.417 9.505 ( -7.961 0.000 0.000) 7.961 9.515 ( -4.640 0.000 0.000) 4.640 9.856 ( 0.011 0.000 0.000) 0.011 9.929 ( -6.619 0.000 0.000) 6.619 9.997 ( -3.141 0.000 0.000) 3.141 10.445 ( -2.956 0.000 0.000) 2.956 10.541 ( 4.315 0.000 0.000) 4.315 10.580 ( -8.535 0.000 0.000) 8.535 10.696 ( -0.463 0.000 0.000) 0.463 10.876 ( 12.074 0.000 0.000) 12.074 10.971 ( 11.471 0.000 0.000) 11.471 11.134 ( 2.336 0.000 0.000) 2.336 11.233 ( -3.566 0.000 0.000) 3.566 11.388 ( 2.466 0.000 0.000) 2.466 11.402 ( 2.095 0.000 0.000) 2.095 11.439 ( -5.340 0.000 0.000) 5.340 11.583 ( -5.336 0.000 0.000) 5.336 11.832 ( 6.587 0.000 0.000) 6.587 11.913 ( -0.419 0.000 0.000) 0.419 12.012 ( 3.577 0.000 0.000) 3.577 12.029 ( -3.400 0.000 0.000) 3.400 12.112 ( -2.197 0.000 0.000) 2.197 12.264 ( -1.147 0.000 0.000) 1.147 12.290 ( -0.379 0.000 0.000) 0.379 12.306 ( 1.111 0.000 0.000) 1.111 12.731 ( -8.449 0.000 0.000) 8.449 12.773 ( -12.441 0.000 0.000) 12.441 12.843 ( -0.536 0.000 0.000) 0.536 12.953 ( 0.572 0.000 0.000) 0.572 13.006 ( 11.343 0.000 0.000) 11.343 13.165 ( 0.318 0.000 0.000) 0.318 13.246 ( -3.455 0.000 0.000) 3.455 13.282 ( 0.527 0.000 0.000) 0.527 13.403 ( 0.930 0.000 0.000) 0.930 13.410 ( 0.798 0.000 0.000) 0.798 13.488 ( 1.005 0.000 0.000) 1.005 13.644 ( -4.170 0.000 0.000) 4.170 13.659 ( 7.654 0.000 0.000) 7.654 13.764 ( -2.919 0.000 0.000) 2.919 13.811 ( -3.705 0.000 0.000) 3.705 13.881 ( 5.379 0.000 0.000) 5.379 14.070 ( 0.880 0.000 0.000) 0.880 14.168 ( -2.004 0.000 0.000) 2.004 14.180 ( 9.312 0.000 0.000) 9.312 14.202 ( 3.989 0.000 0.000) 3.989 14.203 ( -3.713 0.000 0.000) 3.713 14.327 ( -0.354 0.000 0.000) 0.354 14.433 ( 2.046 0.000 0.000) 2.046 14.468 ( -2.016 0.000 0.000) 2.016 14.551 ( -1.829 0.000 0.000) 1.829 14.609 ( -6.050 0.000 0.000) 6.050 14.674 ( 0.865 0.000 0.000) 0.865 14.939 ( 3.184 0.000 0.000) 3.184 15.031 ( -5.245 0.000 0.000) 5.245 15.032 ( -0.170 0.000 0.000) 0.170 16.221 ( 2.632 0.000 0.000) 2.632 16.502 ( -6.037 0.000 0.000) 6.037 16.805 ( -1.069 0.000 0.000) 1.069 16.806 ( -2.873 0.000 0.000) 2.873 16.808 ( 1.679 0.000 0.000) 1.679 16.893 ( -1.094 0.000 0.000) 1.094 16.966 ( 0.209 0.000 0.000) 0.209 16.975 ( 0.062 0.000 0.000) 0.062 17.814 ( 6.554 0.000 0.000) 6.554 17.861 ( 8.270 0.000 0.000) 8.270 18.112 ( -0.198 0.000 0.000) 0.198 18.144 ( -3.173 0.000 0.000) 3.173 18.852 ( 1.865 0.000 0.000) 1.865 18.989 ( -0.462 0.000 0.000) 0.462 18.999 ( -2.344 0.000 0.000) 2.344 19.071 ( -3.331 0.000 0.000) 3.331 22.518 ( 3.827 0.000 0.000) 3.827 22.660 ( 6.375 0.000 0.000) 6.375 22.709 ( -2.247 0.000 0.000) 2.247 22.944 ( -1.668 0.000 0.000) 1.668 23.384 ( 1.933 0.000 0.000) 1.933 23.408 ( 1.373 0.000 0.000) 1.373 23.455 ( -0.135 0.000 0.000) 0.135 23.578 ( -3.723 0.000 0.000) 3.723 24.182 ( 5.295 0.000 0.000) 5.295 24.312 ( 3.042 0.000 0.000) 3.042 24.414 ( 3.527 0.000 0.000) 3.527 24.541 ( -4.704 0.000 0.000) 4.704 24.650 ( -2.937 0.000 0.000) 2.937 24.723 ( -9.196 0.000 0.000) 9.196 25.296 ( -4.991 0.000 0.000) 4.991 25.320 ( -4.740 0.000 0.000) 4.740 26.188 ( 9.463 0.000 0.000) 9.463 26.227 ( 9.063 0.000 0.000) 9.063 26.650 ( -4.521 0.000 0.000) 4.521 26.677 ( -5.352 0.000 0.000) 5.352 27.028 ( 6.250 0.000 0.000) 6.250 27.211 ( 0.872 0.000 0.000) 0.872 27.398 ( 4.390 0.000 0.000) 4.390 27.635 ( -2.529 0.000 0.000) 2.529 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 28.657 0.000 0.000) 28.657 2.128 ( 30.103 0.000 0.000) 30.103 2.539 ( -14.814 0.000 0.000) 14.814 2.615 ( -18.652 0.000 0.000) 18.652 2.662 ( 2.046 0.000 0.000) 2.046 2.717 ( -3.065 0.000 0.000) 3.065 2.796 ( 2.331 0.000 0.000) 2.331 2.808 ( 0.158 0.000 0.000) 0.158 2.885 ( 3.769 0.000 0.000) 3.769 2.984 ( -5.441 0.000 0.000) 5.441 3.233 ( 3.262 0.000 0.000) 3.262 3.300 ( -3.099 0.000 0.000) 3.099 3.574 ( 30.647 0.000 0.000) 30.647 3.665 ( -0.647 0.000 0.000) 0.647 3.694 ( -3.189 0.000 0.000) 3.189 3.697 ( 5.052 0.000 0.000) 5.052 3.871 ( 9.050 0.000 0.000) 9.050 3.877 ( 23.022 0.000 0.000) 23.022 3.943 ( 9.918 0.000 0.000) 9.918 3.985 ( -5.619 0.000 0.000) 5.619 4.150 ( 3.859 0.000 0.000) 3.859 4.260 ( -10.235 0.000 0.000) 10.235 4.303 ( -21.236 0.000 0.000) 21.236 4.483 ( -21.287 0.000 0.000) 21.287 4.534 ( 3.497 0.000 0.000) 3.497 4.546 ( 10.244 0.000 0.000) 10.244 4.608 ( -3.364 0.000 0.000) 3.364 4.619 ( 10.853 0.000 0.000) 10.853 4.653 ( 0.627 0.000 0.000) 0.627 4.877 ( -11.807 0.000 0.000) 11.807 4.902 ( -5.396 0.000 0.000) 5.396 4.963 ( -13.286 0.000 0.000) 13.286 5.181 ( 0.806 0.000 0.000) 0.806 5.227 ( -3.438 0.000 0.000) 3.438 5.245 ( -7.217 0.000 0.000) 7.217 5.399 ( -15.791 0.000 0.000) 15.791 5.490 ( 12.628 0.000 0.000) 12.628 5.748 ( 5.361 0.000 0.000) 5.361 5.763 ( 9.123 0.000 0.000) 9.123 5.857 ( -9.223 0.000 0.000) 9.223 5.901 ( -2.769 0.000 0.000) 2.769 5.926 ( 0.653 0.000 0.000) 0.653 5.980 ( -5.687 0.000 0.000) 5.687 6.029 ( -10.072 0.000 0.000) 10.072 6.508 ( 10.228 0.000 0.000) 10.228 6.612 ( 3.556 0.000 0.000) 3.556 6.628 ( 4.693 0.000 0.000) 4.693 6.663 ( 1.390 0.000 0.000) 1.390 6.896 ( 2.415 0.000 0.000) 2.415 6.923 ( -3.157 0.000 0.000) 3.157 6.996 ( 10.723 0.000 0.000) 10.723 7.144 ( -5.047 0.000 0.000) 5.047 7.264 ( 15.382 0.000 0.000) 15.382 7.291 ( 3.486 0.000 0.000) 3.486 7.385 ( -5.844 0.000 0.000) 5.844 7.519 ( -9.548 0.000 0.000) 9.548 7.529 ( 12.068 0.000 0.000) 12.068 7.724 ( -6.800 0.000 0.000) 6.800 7.827 ( 10.789 0.000 0.000) 10.789 8.035 ( -10.564 0.000 0.000) 10.564 8.270 ( 1.376 0.000 0.000) 1.376 8.303 ( -1.535 0.000 0.000) 1.535 8.427 ( 12.053 0.000 0.000) 12.053 8.659 ( 7.153 0.000 0.000) 7.153 8.685 ( -13.240 0.000 0.000) 13.240 8.798 ( -7.604 0.000 0.000) 7.604 8.946 ( 3.634 0.000 0.000) 3.634 9.016 ( -3.142 0.000 0.000) 3.142 9.096 ( 9.017 0.000 0.000) 9.017 9.155 ( 0.433 0.000 0.000) 0.433 9.238 ( -7.595 0.000 0.000) 7.595 9.268 ( -6.133 0.000 0.000) 6.133 9.314 ( 4.316 0.000 0.000) 4.316 9.371 ( -3.356 0.000 0.000) 3.356 9.578 ( 8.952 0.000 0.000) 8.952 9.767 ( -9.179 0.000 0.000) 9.179 9.884 ( 2.144 0.000 0.000) 2.144 9.938 ( -3.029 0.000 0.000) 3.029 10.392 ( -1.182 0.000 0.000) 1.182 10.430 ( -5.268 0.000 0.000) 5.268 10.631 ( 4.137 0.000 0.000) 4.137 10.688 ( -1.440 0.000 0.000) 1.440 11.043 ( 5.603 0.000 0.000) 5.603 11.145 ( -5.048 0.000 0.000) 5.048 11.177 ( 8.885 0.000 0.000) 8.885 11.258 ( 9.483 0.000 0.000) 9.483 11.313 ( -5.404 0.000 0.000) 5.404 11.437 ( 1.282 0.000 0.000) 1.282 11.445 ( -8.670 0.000 0.000) 8.670 11.445 ( 0.685 0.000 0.000) 0.685 11.916 ( 0.947 0.000 0.000) 0.947 11.958 ( -3.220 0.000 0.000) 3.220 11.988 ( 8.657 0.000 0.000) 8.657 12.048 ( 0.641 0.000 0.000) 0.641 12.078 ( -0.815 0.000 0.000) 0.815 12.175 ( -7.462 0.000 0.000) 7.462 12.364 ( 7.221 0.000 0.000) 7.221 12.371 ( 5.733 0.000 0.000) 5.733 12.535 ( -10.858 0.000 0.000) 10.858 12.540 ( -10.032 0.000 0.000) 10.032 12.886 ( 4.468 0.000 0.000) 4.468 12.962 ( -1.481 0.000 0.000) 1.481 13.156 ( -0.916 0.000 0.000) 0.916 13.166 ( -3.009 0.000 0.000) 3.009 13.184 ( 6.706 0.000 0.000) 6.706 13.271 ( -2.220 0.000 0.000) 2.220 13.418 ( 0.438 0.000 0.000) 0.438 13.419 ( 0.253 0.000 0.000) 0.253 13.524 ( 2.386 0.000 0.000) 2.386 13.575 ( -2.891 0.000 0.000) 2.891 13.731 ( -0.391 0.000 0.000) 0.391 13.747 ( -1.771 0.000 0.000) 1.771 13.839 ( 9.317 0.000 0.000) 9.317 14.000 ( 6.258 0.000 0.000) 6.258 14.012 ( -7.167 0.000 0.000) 7.167 14.107 ( -4.331 0.000 0.000) 4.331 14.175 ( 1.315 0.000 0.000) 1.315 14.214 ( -1.828 0.000 0.000) 1.828 14.343 ( 7.428 0.000 0.000) 7.428 14.383 ( 5.110 0.000 0.000) 5.110 14.436 ( -0.935 0.000 0.000) 0.935 14.438 ( -0.767 0.000 0.000) 0.767 14.481 ( -6.740 0.000 0.000) 6.740 14.484 ( -4.643 0.000 0.000) 4.643 14.761 ( 7.105 0.000 0.000) 7.105 14.908 ( -7.177 0.000 0.000) 7.177 14.994 ( 2.292 0.000 0.000) 2.292 15.025 ( -0.830 0.000 0.000) 0.830 16.285 ( 4.001 0.000 0.000) 4.001 16.381 ( -5.758 0.000 0.000) 5.758 16.778 ( -0.282 0.000 0.000) 0.282 16.785 ( -0.827 0.000 0.000) 0.827 16.841 ( 1.612 0.000 0.000) 1.612 16.870 ( -1.293 0.000 0.000) 1.293 16.970 ( 0.212 0.000 0.000) 0.212 16.974 ( -0.143 0.000 0.000) 0.143 17.947 ( 6.602 0.000 0.000) 6.602 18.003 ( 5.899 0.000 0.000) 5.899 18.063 ( -5.109 0.000 0.000) 5.109 18.086 ( -2.641 0.000 0.000) 2.641 18.895 ( 2.518 0.000 0.000) 2.518 18.948 ( -2.742 0.000 0.000) 2.742 18.988 ( 0.539 0.000 0.000) 0.539 19.015 ( -2.231 0.000 0.000) 2.231 22.593 ( 3.681 0.000 0.000) 3.681 22.658 ( -2.928 0.000 0.000) 2.928 22.787 ( 6.186 0.000 0.000) 6.186 22.889 ( -4.051 0.000 0.000) 4.051 23.420 ( 1.644 0.000 0.000) 1.644 23.445 ( 2.472 0.000 0.000) 2.472 23.445 ( -0.876 0.000 0.000) 0.876 23.504 ( -3.526 0.000 0.000) 3.526 24.296 ( 6.031 0.000 0.000) 6.031 24.378 ( 1.308 0.000 0.000) 1.308 24.454 ( -1.646 0.000 0.000) 1.646 24.494 ( 4.399 0.000 0.000) 4.399 24.551 ( -7.940 0.000 0.000) 7.940 24.579 ( -4.150 0.000 0.000) 4.150 25.232 ( -1.371 0.000 0.000) 1.371 25.244 ( -2.520 0.000 0.000) 2.520 26.376 ( 9.413 0.000 0.000) 9.413 26.399 ( 8.189 0.000 0.000) 8.189 26.543 ( -6.427 0.000 0.000) 6.427 26.547 ( -7.817 0.000 0.000) 7.817 27.139 ( 4.719 0.000 0.000) 4.719 27.204 ( -1.767 0.000 0.000) 1.767 27.488 ( 4.620 0.000 0.000) 4.620 27.573 ( -3.829 0.000 0.000) 3.829 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 37.328 0.000) 37.328 0.735 ( 0.000 37.359 0.000) 37.359 1.170 ( 0.000 58.215 0.000) 58.215 2.457 ( 0.000 -19.628 0.000) 19.628 2.496 ( 0.000 -19.900 0.000) 19.900 2.768 ( 0.000 1.492 0.000) 1.492 2.860 ( 0.000 2.864 0.000) 2.864 2.877 ( 0.000 3.875 0.000) 3.875 2.890 ( 0.000 -1.054 0.000) 1.054 3.011 ( 0.000 -0.979 0.000) 0.979 3.060 ( 0.000 10.445 0.000) 10.445 3.131 ( 0.000 -7.552 0.000) 7.552 3.299 ( 0.000 -5.464 0.000) 5.464 3.356 ( 0.000 4.856 0.000) 4.856 3.437 ( 0.000 -2.929 0.000) 2.929 3.528 ( 0.000 6.658 0.000) 6.658 3.747 ( 0.000 2.767 0.000) 2.767 3.756 ( 0.000 -4.348 0.000) 4.348 3.950 ( 0.000 -4.763 0.000) 4.763 3.952 ( 0.000 -3.289 0.000) 3.289 4.124 ( 0.000 1.428 0.000) 1.428 4.322 ( 0.000 -5.451 0.000) 5.451 4.384 ( 0.000 3.340 0.000) 3.340 4.425 ( 0.000 3.123 0.000) 3.123 4.487 ( 0.000 10.110 0.000) 10.110 4.690 ( 0.000 7.880 0.000) 7.880 4.895 ( 0.000 1.825 0.000) 1.825 5.026 ( 0.000 -2.242 0.000) 2.242 5.194 ( 0.000 -0.391 0.000) 0.391 5.206 ( 0.000 -3.307 0.000) 3.307 5.269 ( 0.000 -10.018 0.000) 10.018 5.299 ( 0.000 2.420 0.000) 2.420 5.405 ( 0.000 -2.959 0.000) 2.959 5.500 ( 0.000 -2.265 0.000) 2.265 5.556 ( 0.000 0.348 0.000) 0.348 5.566 ( 0.000 0.643 0.000) 0.643 5.609 ( 0.000 -6.075 0.000) 6.075 5.775 ( 0.000 1.052 0.000) 1.052 5.842 ( 0.000 -5.734 0.000) 5.734 5.951 ( 0.000 -9.678 0.000) 9.678 5.995 ( 0.000 1.582 0.000) 1.582 6.033 ( 0.000 -0.344 0.000) 0.344 6.038 ( 0.000 5.910 0.000) 5.910 6.051 ( 0.000 2.330 0.000) 2.330 6.169 ( 0.000 3.764 0.000) 3.764 6.178 ( 0.000 -3.275 0.000) 3.275 6.318 ( 0.000 -6.064 0.000) 6.064 6.352 ( 0.000 -4.914 0.000) 4.914 6.376 ( 0.000 0.543 0.000) 0.543 6.407 ( 0.000 -0.616 0.000) 0.616 6.659 ( 0.000 6.859 0.000) 6.859 6.788 ( 0.000 6.810 0.000) 6.810 7.055 ( 0.000 -1.311 0.000) 1.311 7.090 ( 0.000 0.271 0.000) 0.271 7.252 ( 0.000 6.223 0.000) 6.223 7.454 ( 0.000 -1.407 0.000) 1.407 7.616 ( 0.000 -0.279 0.000) 0.279 7.623 ( 0.000 -1.282 0.000) 1.282 7.829 ( 0.000 3.427 0.000) 3.427 7.870 ( 0.000 -2.479 0.000) 2.479 8.269 ( 0.000 1.746 0.000) 1.746 8.335 ( 0.000 -11.724 0.000) 11.724 8.381 ( 0.000 5.085 0.000) 5.085 8.460 ( 0.000 -25.186 0.000) 25.186 8.622 ( 0.000 -2.214 0.000) 2.214 8.832 ( 0.000 1.787 0.000) 1.787 8.959 ( 0.000 -10.024 0.000) 10.024 9.018 ( 0.000 0.316 0.000) 0.316 9.171 ( 0.000 3.475 0.000) 3.475 9.224 ( 0.000 2.424 0.000) 2.424 9.334 ( 0.000 5.284 0.000) 5.284 9.444 ( 0.000 8.107 0.000) 8.107 9.472 ( 0.000 22.148 0.000) 22.148 9.614 ( 0.000 -3.213 0.000) 3.213 9.692 ( 0.000 -0.425 0.000) 0.425 9.942 ( 0.000 5.458 0.000) 5.458 10.160 ( 0.000 7.961 0.000) 7.961 10.253 ( 0.000 0.705 0.000) 0.705 10.387 ( 0.000 2.473 0.000) 2.473 10.470 ( 0.000 5.101 0.000) 5.101 10.496 ( 0.000 -3.286 0.000) 3.286 10.633 ( 0.000 0.669 0.000) 0.669 10.712 ( 0.000 3.515 0.000) 3.515 10.821 ( 0.000 -1.918 0.000) 1.918 11.039 ( 0.000 -12.196 0.000) 12.196 11.122 ( 0.000 -3.058 0.000) 3.058 11.400 ( 0.000 5.676 0.000) 5.676 11.480 ( 0.000 7.778 0.000) 7.778 11.540 ( 0.000 -5.890 0.000) 5.890 11.715 ( 0.000 0.201 0.000) 0.201 11.770 ( 0.000 3.562 0.000) 3.562 11.777 ( 0.000 -13.723 0.000) 13.723 11.914 ( 0.000 -1.452 0.000) 1.452 12.113 ( 0.000 -5.505 0.000) 5.505 12.216 ( 0.000 -1.708 0.000) 1.708 12.291 ( 0.000 3.179 0.000) 3.179 12.341 ( 0.000 4.877 0.000) 4.877 12.579 ( 0.000 0.559 0.000) 0.559 12.715 ( 0.000 6.805 0.000) 6.805 12.825 ( 0.000 0.751 0.000) 0.751 12.893 ( 0.000 -0.299 0.000) 0.299 12.956 ( 0.000 0.922 0.000) 0.922 12.963 ( 0.000 -4.951 0.000) 4.951 13.098 ( 0.000 -9.174 0.000) 9.174 13.111 ( 0.000 -2.128 0.000) 2.128 13.158 ( 0.000 -6.092 0.000) 6.092 13.302 ( 0.000 -0.755 0.000) 0.755 13.405 ( 0.000 3.576 0.000) 3.576 13.464 ( 0.000 0.648 0.000) 0.648 13.558 ( 0.000 4.294 0.000) 4.294 13.739 ( 0.000 -2.639 0.000) 2.639 13.779 ( 0.000 0.771 0.000) 0.771 13.846 ( 0.000 -4.575 0.000) 4.575 13.934 ( 0.000 -5.015 0.000) 5.015 13.969 ( 0.000 7.228 0.000) 7.228 13.978 ( 0.000 -0.565 0.000) 0.565 13.996 ( 0.000 -1.539 0.000) 1.539 14.209 ( 0.000 6.830 0.000) 6.830 14.247 ( 0.000 2.994 0.000) 2.994 14.324 ( 0.000 2.417 0.000) 2.417 14.482 ( 0.000 -1.924 0.000) 1.924 14.616 ( 0.000 6.822 0.000) 6.822 14.623 ( 0.000 1.100 0.000) 1.100 14.724 ( 0.000 0.197 0.000) 0.197 14.755 ( 0.000 1.061 0.000) 1.061 14.790 ( 0.000 -6.071 0.000) 6.071 15.004 ( 0.000 -3.962 0.000) 3.962 15.096 ( 0.000 -4.741 0.000) 4.741 16.234 ( 0.000 6.827 0.000) 6.827 16.657 ( 0.000 1.935 0.000) 1.935 16.686 ( 0.000 0.268 0.000) 0.268 16.757 ( 0.000 -6.907 0.000) 6.907 16.771 ( 0.000 0.508 0.000) 0.508 16.934 ( 0.000 0.839 0.000) 0.839 16.939 ( 0.000 -2.642 0.000) 2.642 16.970 ( 0.000 0.207 0.000) 0.207 17.717 ( 0.000 5.330 0.000) 5.330 18.065 ( 0.000 -3.494 0.000) 3.494 18.185 ( 0.000 0.860 0.000) 0.860 18.208 ( 0.000 0.376 0.000) 0.376 18.833 ( 0.000 1.921 0.000) 1.921 18.986 ( 0.000 -1.769 0.000) 1.769 19.061 ( 0.000 1.137 0.000) 1.137 19.151 ( 0.000 -1.010 0.000) 1.010 22.469 ( 0.000 4.290 0.000) 4.290 22.533 ( 0.000 2.135 0.000) 2.135 22.732 ( 0.000 -2.702 0.000) 2.702 22.892 ( 0.000 -6.758 0.000) 6.758 23.348 ( 0.000 1.012 0.000) 1.012 23.384 ( 0.000 0.110 0.000) 0.110 23.473 ( 0.000 4.990 0.000) 4.990 23.737 ( 0.000 -2.279 0.000) 2.279 24.086 ( 0.000 1.967 0.000) 1.967 24.271 ( 0.000 1.377 0.000) 1.377 24.303 ( 0.000 -3.592 0.000) 3.592 24.355 ( 0.000 -0.583 0.000) 0.583 25.026 ( 0.000 5.974 0.000) 5.974 25.376 ( 0.000 -0.309 0.000) 0.309 25.430 ( 0.000 -1.848 0.000) 1.848 25.443 ( 0.000 -4.174 0.000) 4.174 25.944 ( 0.000 -0.517 0.000) 0.517 25.962 ( 0.000 -0.745 0.000) 0.745 26.359 ( 0.000 4.499 0.000) 4.499 26.720 ( 0.000 -5.229 0.000) 5.229 26.906 ( 0.000 4.044 0.000) 4.044 26.955 ( 0.000 3.566 0.000) 3.566 27.143 ( 0.000 -1.824 0.000) 1.824 27.255 ( 0.000 -4.214 0.000) 4.214 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 24.684 23.692 0.000) 34.214 1.038 ( 26.587 25.576 0.000) 36.892 1.760 ( 46.409 38.103 0.000) 60.047 2.475 ( 2.901 -17.328 0.000) 17.569 2.516 ( 2.207 -15.902 0.000) 16.055 2.745 ( -1.811 1.401 0.000) 2.289 2.832 ( -3.613 0.352 0.000) 3.630 2.859 ( -1.452 3.136 0.000) 3.456 2.890 ( 0.984 1.786 0.000) 2.039 3.017 ( -1.184 4.692 0.000) 4.840 3.053 ( 3.332 -2.954 0.000) 4.453 3.252 ( 3.916 -2.820 0.000) 4.826 3.269 ( -3.195 -3.053 0.000) 4.419 3.363 ( 3.092 3.010 0.000) 4.315 3.543 ( 1.655 5.003 0.000) 5.269 3.543 ( 10.847 -3.894 0.000) 11.525 3.709 ( -3.445 -4.222 0.000) 5.449 3.724 ( -1.286 0.065 0.000) 1.288 3.968 ( 2.264 -2.322 0.000) 3.243 4.024 ( 5.245 -2.049 0.000) 5.631 4.066 ( -5.646 4.703 0.000) 7.348 4.271 ( -0.475 -0.741 0.000) 0.880 4.373 ( -0.543 0.790 0.000) 0.959 4.432 ( -3.808 3.012 0.000) 4.855 4.489 ( -3.499 8.603 0.000) 9.288 4.501 ( 5.423 3.732 0.000) 6.583 4.852 ( -5.068 0.764 0.000) 5.125 4.965 ( -15.809 1.547 0.000) 15.885 4.987 ( -2.770 -0.309 0.000) 2.787 5.239 ( -15.712 -1.507 0.000) 15.785 5.262 ( -0.611 0.340 0.000) 0.699 5.302 ( 0.757 -2.207 0.000) 2.333 5.341 ( -12.453 -2.274 0.000) 12.659 5.401 ( -7.361 1.086 0.000) 7.441 5.475 ( -2.532 -11.149 0.000) 11.433 5.508 ( -0.929 -0.847 0.000) 1.257 5.568 ( 0.677 -5.196 0.000) 5.240 5.719 ( 7.455 -1.135 0.000) 7.541 5.863 ( -3.149 -4.155 0.000) 5.214 5.881 ( -6.418 -0.778 0.000) 6.465 6.063 ( -0.411 -2.986 0.000) 3.015 6.074 ( -7.367 0.463 0.000) 7.382 6.148 ( 8.576 -5.874 0.000) 10.395 6.171 ( 10.926 7.487 0.000) 13.245 6.252 ( 4.197 -2.377 0.000) 4.823 6.327 ( -1.300 1.907 0.000) 2.308 6.348 ( 8.736 -1.685 0.000) 8.897 6.348 ( -5.307 0.015 0.000) 5.308 6.418 ( 12.703 0.451 0.000) 12.711 6.706 ( 16.332 -14.175 0.000) 21.626 6.721 ( 5.547 6.038 0.000) 8.199 6.863 ( 10.347 2.847 0.000) 10.732 7.104 ( 3.997 -2.275 0.000) 4.599 7.167 ( 5.467 -0.959 0.000) 5.550 7.240 ( 1.129 4.736 0.000) 4.869 7.523 ( 6.269 2.304 0.000) 6.679 7.585 ( -2.413 0.023 0.000) 2.413 7.630 ( -0.006 -0.504 0.000) 0.504 7.825 ( -0.235 2.962 0.000) 2.972 7.982 ( 9.040 -5.315 0.000) 10.487 8.305 ( 3.698 -0.803 0.000) 3.784 8.312 ( -2.390 -9.425 0.000) 9.723 8.361 ( -1.947 4.857 0.000) 5.233 8.427 ( -2.342 -12.890 0.000) 13.101 8.677 ( 5.293 -8.155 0.000) 9.722 8.847 ( 1.236 -1.051 0.000) 1.623 8.931 ( -2.888 -9.232 0.000) 9.673 9.012 ( 0.506 -0.496 0.000) 0.709 9.087 ( -6.442 3.478 0.000) 7.321 9.205 ( -4.245 1.846 0.000) 4.629 9.316 ( -0.444 3.518 0.000) 3.546 9.396 ( -4.309 5.204 0.000) 6.757 9.455 ( -1.990 18.865 0.000) 18.970 9.585 ( -3.182 -2.176 0.000) 3.854 9.655 ( -3.840 0.482 0.000) 3.870 9.936 ( -0.793 4.953 0.000) 5.016 10.100 ( -5.526 6.476 0.000) 8.513 10.133 ( -6.094 4.425 0.000) 7.531 10.461 ( 0.306 0.983 0.000) 1.029 10.493 ( 1.402 -1.693 0.000) 2.198 10.600 ( 12.055 -0.485 0.000) 12.065 10.639 ( -1.798 -1.082 0.000) 2.099 10.702 ( -5.452 -4.693 0.000) 7.193 10.778 ( 6.401 2.543 0.000) 6.887 11.137 ( 4.815 -10.133 0.000) 11.219 11.138 ( 1.630 -1.298 0.000) 2.084 11.409 ( 1.086 5.436 0.000) 5.544 11.443 ( -3.181 3.584 0.000) 4.792 11.537 ( -1.930 2.376 0.000) 3.061 11.720 ( -1.648 1.486 0.000) 2.219 11.737 ( 2.336 -0.498 0.000) 2.388 11.842 ( 3.158 -8.413 0.000) 8.987 11.910 ( -0.253 -1.128 0.000) 1.156 12.098 ( -1.408 -5.190 0.000) 5.377 12.194 ( -5.067 6.608 0.000) 8.327 12.234 ( 0.824 -1.837 0.000) 2.013 12.366 ( -3.964 4.304 0.000) 5.851 12.427 ( -4.313 5.914 0.000) 7.319 12.763 ( 10.159 3.106 0.000) 10.623 12.820 ( -1.661 -0.011 0.000) 1.662 12.877 ( -2.009 -0.365 0.000) 2.042 12.934 ( -3.407 -3.795 0.000) 5.100 12.954 ( -6.955 -3.980 0.000) 8.014 13.117 ( 4.391 -2.853 0.000) 5.236 13.198 ( 2.095 -7.040 0.000) 7.345 13.246 ( 6.857 -10.168 0.000) 12.264 13.297 ( 0.154 1.868 0.000) 1.875 13.407 ( 0.082 2.324 0.000) 2.326 13.487 ( 2.028 1.814 0.000) 2.721 13.570 ( 1.696 3.149 0.000) 3.576 13.749 ( -2.869 1.214 0.000) 3.115 13.785 ( 3.462 -2.107 0.000) 4.053 13.854 ( -1.701 -4.666 0.000) 4.967 13.860 ( -4.701 0.388 0.000) 4.717 13.966 ( 4.816 -1.419 0.000) 5.021 14.018 ( 2.431 1.734 0.000) 2.986 14.086 ( 5.231 -2.033 0.000) 5.613 14.234 ( -1.277 2.475 0.000) 2.785 14.238 ( 2.199 3.134 0.000) 3.829 14.297 ( -2.418 2.706 0.000) 3.629 14.482 ( -0.688 -2.061 0.000) 2.173 14.590 ( -1.824 6.886 0.000) 7.123 14.613 ( -0.504 5.384 0.000) 5.408 14.687 ( -2.391 -2.593 0.000) 3.527 14.719 ( -3.509 1.472 0.000) 3.805 14.828 ( 2.873 -4.135 0.000) 5.036 14.980 ( -1.888 -5.048 0.000) 5.389 15.084 ( -1.377 -3.362 0.000) 3.632 16.247 ( 1.290 6.576 0.000) 6.702 16.621 ( -2.987 2.580 0.000) 3.947 16.752 ( -0.501 -6.628 0.000) 6.646 16.756 ( 2.701 -3.584 0.000) 4.488 16.792 ( 1.200 -1.485 0.000) 1.909 16.928 ( -0.565 1.118 0.000) 1.252 16.929 ( -0.421 -2.743 0.000) 2.775 16.971 ( 0.064 -0.067 0.000) 0.093 17.756 ( 3.761 4.912 0.000) 6.186 17.998 ( -7.298 14.514 0.000) 16.245 18.075 ( 0.924 -3.115 0.000) 3.249 18.197 ( -1.382 0.638 0.000) 1.522 18.841 ( 0.761 1.710 0.000) 1.872 18.982 ( -0.375 -1.675 0.000) 1.717 19.035 ( -1.794 0.425 0.000) 1.844 19.122 ( -2.674 -1.101 0.000) 2.892 22.494 ( 2.422 4.204 0.000) 4.851 22.572 ( 3.789 1.861 0.000) 4.221 22.727 ( -0.556 -1.857 0.000) 1.938 22.908 ( 0.710 -5.958 0.000) 6.001 23.358 ( 1.051 0.753 0.000) 1.293 23.390 ( 0.594 0.065 0.000) 0.597 23.473 ( -0.044 3.587 0.000) 3.587 23.679 ( -3.882 0.922 0.000) 3.990 24.113 ( 2.746 1.647 0.000) 3.202 24.282 ( 1.252 1.326 0.000) 1.824 24.319 ( 1.598 -3.775 0.000) 4.099 24.442 ( 4.069 -5.886 0.000) 7.155 24.954 ( -6.557 6.205 0.000) 9.028 24.986 ( -16.028 14.242 0.000) 21.441 25.371 ( -6.019 -4.149 0.000) 7.310 25.379 ( -4.806 -3.085 0.000) 5.711 26.017 ( 6.957 -0.316 0.000) 6.964 26.053 ( 7.925 -0.538 0.000) 7.943 26.669 ( 2.179 -4.002 0.000) 4.557 26.732 ( -0.228 -3.759 0.000) 3.766 26.950 ( 4.186 3.611 0.000) 5.528 27.148 ( 4.419 -3.989 0.000) 5.954 27.275 ( 18.417 -16.554 0.000) 24.763 27.284 ( 2.752 -4.193 0.000) 5.016 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 31.294 9.716 0.000) 32.768 1.629 ( 31.610 15.074 0.000) 35.020 2.583 ( 7.094 -12.717 0.000) 14.562 2.588 ( 4.865 -7.282 0.000) 8.758 2.688 ( 38.707 17.275 0.000) 42.386 2.694 ( -4.349 1.066 0.000) 4.478 2.770 ( -1.482 -3.092 0.000) 3.429 2.820 ( -2.295 2.164 0.000) 3.154 2.888 ( -1.524 2.358 0.000) 2.808 2.963 ( -1.859 3.649 0.000) 4.095 3.121 ( 3.443 -4.422 0.000) 5.605 3.176 ( -2.963 1.250 0.000) 3.216 3.301 ( 1.313 -2.151 0.000) 2.520 3.516 ( 10.411 -1.218 0.000) 10.482 3.591 ( 2.835 1.272 0.000) 3.107 3.677 ( 3.734 -3.319 0.000) 4.996 3.714 ( 0.555 0.768 0.000) 0.947 3.743 ( 5.113 -1.717 0.000) 5.393 3.978 ( -1.734 8.194 0.000) 8.375 4.042 ( 3.049 -1.021 0.000) 3.215 4.077 ( 0.409 -0.526 0.000) 0.667 4.337 ( 6.404 -2.381 0.000) 6.832 4.352 ( -5.028 -7.371 0.000) 8.922 4.376 ( 2.278 -3.289 0.000) 4.001 4.471 ( -2.541 0.776 0.000) 2.657 4.607 ( 3.727 -0.289 0.000) 3.738 4.658 ( -11.825 7.862 0.000) 14.200 4.718 ( -7.627 -3.452 0.000) 8.372 4.870 ( -7.305 7.326 0.000) 10.346 5.016 ( -7.993 -3.710 0.000) 8.812 5.122 ( -12.138 -0.542 0.000) 12.150 5.142 ( -6.539 -5.914 0.000) 8.817 5.224 ( -1.729 4.297 0.000) 4.632 5.307 ( -10.333 -3.755 0.000) 10.994 5.395 ( -13.475 -9.238 0.000) 16.338 5.525 ( 7.896 0.337 0.000) 7.903 5.530 ( 0.144 2.743 0.000) 2.747 5.728 ( -5.229 5.612 0.000) 7.671 5.730 ( -10.000 1.980 0.000) 10.194 5.850 ( -0.326 -10.280 0.000) 10.285 5.942 ( -7.266 -3.684 0.000) 8.147 5.943 ( -2.060 1.296 0.000) 2.434 6.133 ( -11.277 -2.023 0.000) 11.457 6.252 ( -2.463 0.134 0.000) 2.466 6.322 ( 7.610 0.776 0.000) 7.649 6.445 ( 14.968 4.422 0.000) 15.607 6.452 ( 8.857 -2.977 0.000) 9.344 6.567 ( 9.844 1.080 0.000) 9.904 6.712 ( 14.676 0.057 0.000) 14.676 6.839 ( 5.516 4.024 0.000) 6.828 6.879 ( 4.128 -5.975 0.000) 7.262 7.086 ( 9.776 4.567 0.000) 10.790 7.154 ( -0.054 -3.642 0.000) 3.643 7.263 ( 7.987 5.183 0.000) 9.521 7.341 ( 7.560 2.814 0.000) 8.066 7.524 ( -3.699 1.957 0.000) 4.185 7.617 ( -2.001 -0.738 0.000) 2.133 7.692 ( 10.589 5.722 0.000) 12.036 7.826 ( 0.239 4.153 0.000) 4.160 8.147 ( 6.964 -6.006 0.000) 9.196 8.236 ( -5.600 -2.150 0.000) 5.999 8.311 ( -2.797 3.807 0.000) 4.724 8.356 ( 0.937 -6.284 0.000) 6.354 8.457 ( 6.400 -0.042 0.000) 6.401 8.806 ( 6.375 -7.593 0.000) 9.914 8.836 ( -7.197 -7.711 0.000) 10.548 8.898 ( 5.417 -4.332 0.000) 6.937 8.936 ( -8.806 0.376 0.000) 8.814 9.048 ( 2.807 -3.353 0.000) 4.373 9.096 ( -5.414 2.853 0.000) 6.120 9.304 ( -2.206 -1.047 0.000) 2.442 9.319 ( -2.458 -1.208 0.000) 2.739 9.391 ( -4.013 11.110 0.000) 11.813 9.495 ( -4.883 -0.117 0.000) 4.884 9.544 ( -6.708 1.367 0.000) 6.845 9.894 ( -4.983 -0.316 0.000) 4.993 9.987 ( -3.938 8.077 0.000) 8.986 10.052 ( -2.652 5.808 0.000) 6.385 10.413 ( -3.582 -3.405 0.000) 4.942 10.498 ( -8.253 -7.213 0.000) 10.961 10.564 ( 4.529 2.227 0.000) 5.047 10.700 ( 1.072 1.648 0.000) 1.966 10.845 ( 12.087 -4.131 0.000) 12.773 10.929 ( 8.159 0.022 0.000) 8.160 11.188 ( 3.476 1.409 0.000) 3.751 11.193 ( 0.997 -9.262 0.000) 9.316 11.360 ( -5.099 4.055 0.000) 6.515 11.449 ( 3.079 5.414 0.000) 6.228 11.460 ( -5.444 2.243 0.000) 5.887 11.683 ( -2.337 5.706 0.000) 6.166 11.809 ( 4.859 -2.575 0.000) 5.499 11.900 ( 2.053 -7.452 0.000) 7.730 11.911 ( 0.714 0.037 0.000) 0.715 12.066 ( -1.606 -4.271 0.000) 4.563 12.096 ( -4.358 3.424 0.000) 5.542 12.234 ( -1.390 -2.512 0.000) 2.871 12.329 ( 1.547 4.706 0.000) 4.954 12.405 ( 0.146 7.491 0.000) 7.492 12.700 ( -9.061 -1.525 0.000) 9.188 12.800 ( -8.461 1.801 0.000) 8.651 12.823 ( -0.497 -1.627 0.000) 1.702 12.924 ( 0.985 -2.634 0.000) 2.812 12.977 ( 7.488 -2.062 0.000) 7.767 13.181 ( -3.254 -6.499 0.000) 7.268 13.189 ( 3.826 1.400 0.000) 4.074 13.315 ( 0.891 2.990 0.000) 3.120 13.350 ( 4.108 -5.440 0.000) 6.817 13.409 ( 0.223 0.760 0.000) 0.792 13.531 ( 2.467 4.168 0.000) 4.843 13.641 ( 5.781 -0.281 0.000) 5.788 13.683 ( -3.372 2.098 0.000) 3.972 13.774 ( -3.779 0.702 0.000) 3.844 13.779 ( -2.938 -2.818 0.000) 4.071 13.893 ( 5.805 -0.087 0.000) 5.806 14.047 ( 0.053 0.276 0.000) 0.281 14.115 ( 8.473 -5.601 0.000) 10.157 14.174 ( 3.258 -2.791 0.000) 4.290 14.202 ( -1.731 1.733 0.000) 2.449 14.233 ( -4.079 2.996 0.000) 5.061 14.288 ( 3.230 2.603 0.000) 4.148 14.445 ( -2.912 -2.509 0.000) 3.844 14.557 ( -2.087 5.868 0.000) 6.228 14.582 ( -2.855 2.236 0.000) 3.626 14.627 ( -5.456 2.342 0.000) 5.938 14.673 ( 2.007 -0.433 0.000) 2.053 14.889 ( 3.141 -4.183 0.000) 5.231 14.944 ( -1.954 -5.233 0.000) 5.586 15.040 ( -2.882 -2.059 0.000) 3.542 16.283 ( 2.346 6.051 0.000) 6.490 16.536 ( -5.377 3.294 0.000) 6.306 16.740 ( -0.570 -5.888 0.000) 5.915 16.764 ( -1.613 -3.458 0.000) 3.816 16.811 ( 1.968 0.421 0.000) 2.013 16.912 ( -1.029 1.411 0.000) 1.747 16.937 ( 0.925 -2.641 0.000) 2.798 16.971 ( -0.131 -0.456 0.000) 0.475 17.854 ( 5.917 3.881 0.000) 7.076 17.975 ( 2.752 8.998 0.000) 9.409 18.093 ( 0.650 -1.946 0.000) 2.052 18.155 ( -2.943 0.906 0.000) 3.079 18.863 ( 1.496 1.143 0.000) 1.883 18.974 ( -0.329 -1.436 0.000) 1.473 18.995 ( -2.339 -0.187 0.000) 2.347 19.060 ( -3.335 -1.165 0.000) 3.532 22.556 ( 3.567 3.847 0.000) 5.246 22.670 ( 5.737 0.987 0.000) 5.822 22.710 ( -1.143 0.028 0.000) 1.143 22.908 ( -0.815 -4.044 0.000) 4.126 23.386 ( 1.578 0.306 0.000) 1.607 23.411 ( 1.693 0.170 0.000) 1.702 23.467 ( -0.693 2.087 0.000) 2.199 23.601 ( -4.054 1.213 0.000) 4.232 24.188 ( 4.765 0.803 0.000) 4.832 24.319 ( 2.375 0.740 0.000) 2.488 24.361 ( 2.446 -4.410 0.000) 5.043 24.464 ( -1.468 -4.498 0.000) 4.732 24.779 ( -6.978 9.462 0.000) 11.757 24.806 ( -7.700 7.359 0.000) 10.651 25.253 ( -5.205 -4.409 0.000) 6.821 25.272 ( -5.289 -4.820 0.000) 7.156 26.186 ( 9.620 0.072 0.000) 9.621 26.229 ( 9.365 -0.065 0.000) 9.365 26.642 ( -3.453 -0.585 0.000) 3.502 26.674 ( -4.972 -0.581 0.000) 5.006 27.052 ( 5.691 2.651 0.000) 6.278 27.201 ( 1.721 -0.684 0.000) 1.852 27.355 ( 4.217 -4.287 0.000) 6.014 27.485 ( 3.983 -12.097 0.000) 12.736 ======================= Grid point 10 (8/48) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 26.202 2.923 0.000) 26.364 2.224 ( 27.827 9.443 0.000) 29.386 2.523 ( -14.176 -0.627 0.000) 14.189 2.658 ( -11.035 1.067 0.000) 11.087 2.670 ( 2.663 -0.874 0.000) 2.803 2.698 ( -2.974 -2.575 0.000) 3.934 2.803 ( 3.338 -1.746 0.000) 3.768 2.805 ( -0.781 3.847 0.000) 3.926 2.851 ( -0.239 -1.103 0.000) 1.129 2.952 ( -6.867 -2.793 0.000) 7.413 3.188 ( 3.557 -4.705 0.000) 5.898 3.265 ( -3.824 -3.764 0.000) 5.365 3.606 ( 24.499 1.944 0.000) 24.576 3.634 ( 1.637 -0.670 0.000) 1.768 3.663 ( 1.849 -0.958 0.000) 2.082 3.753 ( 2.393 3.055 0.000) 3.880 3.808 ( 6.737 -1.908 0.000) 7.001 3.855 ( 11.800 -5.148 0.000) 12.875 3.957 ( -7.269 -2.589 0.000) 7.717 4.072 ( 13.874 9.866 0.000) 17.024 4.119 ( -7.528 -8.643 0.000) 11.462 4.197 ( -2.951 -0.871 0.000) 3.077 4.289 ( -9.087 2.661 0.000) 9.468 4.406 ( -8.476 -5.212 0.000) 9.950 4.520 ( 9.886 2.145 0.000) 10.116 4.575 ( 2.014 -1.548 0.000) 2.540 4.619 ( 5.948 4.878 0.000) 7.692 4.676 ( 0.740 4.679 0.000) 4.737 4.832 ( -10.516 -1.347 0.000) 10.602 4.833 ( -9.251 8.794 0.000) 12.763 4.880 ( 3.864 -3.400 0.000) 5.147 4.980 ( -10.492 -1.528 0.000) 10.602 5.078 ( -15.483 -0.080 0.000) 15.483 5.110 ( -11.932 -10.119 0.000) 15.645 5.360 ( 11.497 -7.178 0.000) 13.554 5.390 ( -1.847 8.392 0.000) 8.592 5.521 ( -6.009 4.340 0.000) 7.412 5.665 ( 5.966 -6.297 0.000) 8.675 5.737 ( -12.449 -4.014 0.000) 13.080 5.793 ( -4.995 -8.248 0.000) 9.643 5.879 ( 5.720 2.654 0.000) 6.306 5.934 ( -0.609 2.501 0.000) 2.574 5.996 ( 3.549 4.675 0.000) 5.869 6.152 ( -7.777 3.587 0.000) 8.564 6.514 ( 10.491 0.392 0.000) 10.498 6.600 ( 5.904 -2.491 0.000) 6.408 6.635 ( 0.375 1.248 0.000) 1.303 6.673 ( 1.376 1.779 0.000) 2.249 6.876 ( 0.393 -3.495 0.000) 3.517 6.906 ( 0.648 1.331 0.000) 1.480 6.959 ( 9.156 -3.104 0.000) 9.668 7.095 ( -5.409 -4.087 0.000) 6.779 7.299 ( 11.046 3.478 0.000) 11.581 7.389 ( 4.994 6.444 0.000) 8.153 7.445 ( -4.465 3.993 0.000) 5.990 7.524 ( -7.433 0.762 0.000) 7.472 7.576 ( 14.104 6.502 0.000) 15.531 7.789 ( -5.956 7.184 0.000) 9.331 7.908 ( 10.375 7.554 0.000) 12.834 8.090 ( -8.682 4.644 0.000) 9.846 8.244 ( 2.824 -5.316 0.000) 6.019 8.272 ( -1.009 0.398 0.000) 1.085 8.431 ( 7.732 -2.899 0.000) 8.258 8.606 ( 8.135 -2.127 0.000) 8.408 8.640 ( -11.942 -6.340 0.000) 13.521 8.767 ( -8.248 -0.768 0.000) 8.284 8.907 ( 5.043 -2.338 0.000) 5.559 9.003 ( -4.452 0.517 0.000) 4.482 9.071 ( 9.927 -4.576 0.000) 10.931 9.113 ( 4.358 -4.110 0.000) 5.991 9.211 ( -7.125 -2.650 0.000) 7.602 9.252 ( -5.209 -4.477 0.000) 6.869 9.335 ( -0.791 3.622 0.000) 3.708 9.379 ( -5.865 2.013 0.000) 6.201 9.538 ( 6.924 -3.852 0.000) 7.924 9.725 ( -10.497 -4.409 0.000) 11.386 9.973 ( 1.137 7.992 0.000) 8.072 10.007 ( -2.109 6.650 0.000) 6.977 10.354 ( -1.632 -3.678 0.000) 4.024 10.373 ( -3.849 -5.117 0.000) 6.403 10.649 ( 3.788 2.015 0.000) 4.290 10.700 ( -1.256 1.811 0.000) 2.203 11.046 ( 7.902 -2.151 0.000) 8.190 11.095 ( 8.932 -4.444 0.000) 9.976 11.166 ( -4.061 -3.946 0.000) 5.662 11.250 ( -6.380 -3.439 0.000) 7.248 11.264 ( 3.897 1.617 0.000) 4.219 11.347 ( -5.188 2.947 0.000) 5.966 11.529 ( 4.851 6.416 0.000) 8.043 11.621 ( -4.099 6.773 0.000) 7.917 11.882 ( 1.786 -3.757 0.000) 4.160 11.908 ( -0.928 -4.759 0.000) 4.849 11.977 ( 5.660 -0.837 0.000) 5.721 12.035 ( -1.953 -0.651 0.000) 2.059 12.051 ( 1.072 -2.242 0.000) 2.485 12.154 ( -6.549 -1.884 0.000) 6.815 12.424 ( 7.197 5.534 0.000) 9.079 12.435 ( 3.739 6.095 0.000) 7.151 12.533 ( -7.152 2.174 0.000) 7.475 12.611 ( -10.215 4.721 0.000) 11.253 12.863 ( 4.271 -2.093 0.000) 4.756 12.933 ( -1.275 -2.709 0.000) 2.994 13.057 ( 1.606 -6.110 0.000) 6.318 13.099 ( -3.835 -5.865 0.000) 7.007 13.267 ( 3.556 4.042 0.000) 5.383 13.314 ( -1.147 3.406 0.000) 3.594 13.405 ( 1.430 -1.060 0.000) 1.780 13.414 ( 0.155 0.122 0.000) 0.197 13.581 ( 2.509 4.361 0.000) 5.031 13.628 ( -2.337 3.161 0.000) 3.931 13.718 ( -0.792 -2.706 0.000) 2.820 13.721 ( -1.515 -0.797 0.000) 1.712 13.815 ( 8.978 -0.577 0.000) 8.996 13.985 ( -6.795 -0.328 0.000) 6.803 14.023 ( 6.804 1.473 0.000) 6.961 14.142 ( -5.200 2.458 0.000) 5.752 14.184 ( 0.171 0.528 0.000) 0.555 14.193 ( -0.094 -2.115 0.000) 2.117 14.274 ( 6.458 -5.921 0.000) 8.762 14.373 ( 5.401 2.427 0.000) 5.922 14.375 ( -4.139 -4.384 0.000) 6.029 14.490 ( -6.108 1.004 0.000) 6.190 14.522 ( -0.781 3.792 0.000) 3.871 14.541 ( -2.714 3.500 0.000) 4.429 14.761 ( 6.076 0.018 0.000) 6.076 14.878 ( -5.104 -2.619 0.000) 5.737 14.945 ( 2.490 -4.333 0.000) 4.997 14.988 ( -2.181 -3.366 0.000) 4.011 16.341 ( 3.656 5.426 0.000) 6.543 16.428 ( -5.188 4.520 0.000) 6.881 16.732 ( -0.143 -4.836 0.000) 4.838 16.738 ( -0.801 -3.716 0.000) 3.801 16.852 ( 2.025 0.966 0.000) 2.243 16.887 ( -1.541 1.354 0.000) 2.051 16.954 ( 0.720 -1.621 0.000) 1.773 16.965 ( -0.416 -0.888 0.000) 0.980 17.974 ( 5.987 2.658 0.000) 6.550 18.043 ( 3.297 3.510 0.000) 4.816 18.081 ( -4.565 1.619 0.000) 4.843 18.090 ( -1.194 0.158 0.000) 1.205 18.899 ( 2.162 0.442 0.000) 2.206 18.946 ( -2.537 -0.079 0.000) 2.538 18.976 ( 0.622 -1.198 0.000) 1.350 19.003 ( -2.225 -1.126 0.000) 2.494 22.624 ( 3.177 3.062 0.000) 4.412 22.676 ( -2.140 1.761 0.000) 2.771 22.785 ( 5.386 -0.376 0.000) 5.399 22.871 ( -3.157 -2.187 0.000) 3.841 23.416 ( 1.566 0.192 0.000) 1.578 23.446 ( -1.360 0.850 0.000) 1.604 23.457 ( 2.947 0.660 0.000) 3.019 23.523 ( -3.723 1.075 0.000) 3.875 24.292 ( 5.473 -0.295 0.000) 5.481 24.366 ( 1.303 -1.058 0.000) 1.678 24.398 ( 0.769 -5.003 0.000) 5.062 24.404 ( -3.404 -2.961 0.000) 4.512 24.682 ( -2.853 8.369 0.000) 8.842 24.686 ( -3.612 9.102 0.000) 9.792 25.184 ( -1.631 -4.899 0.000) 5.163 25.193 ( -2.466 -5.265 0.000) 5.814 26.376 ( 9.396 0.218 0.000) 9.399 26.405 ( 8.353 0.366 0.000) 8.361 26.542 ( -6.998 0.114 0.000) 6.998 26.553 ( -6.874 0.317 0.000) 6.881 27.154 ( 4.225 1.680 0.000) 4.547 27.208 ( -1.195 0.711 0.000) 1.391 27.438 ( 3.939 -4.930 0.000) 6.310 27.497 ( -1.773 -6.947 0.000) 7.170 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 33.135 0.000) 33.135 1.419 ( 0.000 34.162 0.000) 34.162 1.973 ( 0.000 -18.669 0.000) 18.669 2.025 ( 0.000 -28.593 0.000) 28.593 2.218 ( 0.000 37.199 0.000) 37.199 2.807 ( 0.000 2.432 0.000) 2.432 2.854 ( 0.000 -2.308 0.000) 2.308 2.864 ( 0.000 -23.067 0.000) 23.067 2.919 ( 0.000 3.230 0.000) 3.230 2.977 ( 0.000 -2.537 0.000) 2.537 2.980 ( 0.000 6.809 0.000) 6.809 3.138 ( 0.000 -9.565 0.000) 9.565 3.234 ( 0.000 7.636 0.000) 7.636 3.354 ( 0.000 -5.006 0.000) 5.006 3.489 ( 0.000 7.886 0.000) 7.886 3.641 ( 0.000 -7.377 0.000) 7.377 3.674 ( 0.000 8.043 0.000) 8.043 3.812 ( 0.000 3.874 0.000) 3.874 3.823 ( 0.000 -7.229 0.000) 7.229 3.890 ( 0.000 -4.016 0.000) 4.016 4.163 ( 0.000 2.647 0.000) 2.647 4.228 ( 0.000 -4.149 0.000) 4.149 4.442 ( 0.000 1.954 0.000) 1.954 4.449 ( 0.000 0.852 0.000) 0.852 4.764 ( 0.000 15.456 0.000) 15.456 4.858 ( 0.000 9.533 0.000) 9.533 4.918 ( 0.000 0.105 0.000) 0.105 4.980 ( 0.000 -1.754 0.000) 1.754 5.058 ( 0.000 -11.189 0.000) 11.189 5.074 ( 0.000 -10.641 0.000) 10.641 5.214 ( 0.000 3.018 0.000) 3.018 5.311 ( 0.000 -6.255 0.000) 6.255 5.372 ( 0.000 4.380 0.000) 4.380 5.444 ( 0.000 -3.374 0.000) 3.374 5.559 ( 0.000 3.398 0.000) 3.398 5.561 ( 0.000 0.298 0.000) 0.298 5.569 ( 0.000 -0.370 0.000) 0.370 5.729 ( 0.000 -12.040 0.000) 12.040 5.776 ( 0.000 -1.043 0.000) 1.043 5.781 ( 0.000 -0.639 0.000) 0.639 6.017 ( 0.000 0.689 0.000) 0.689 6.026 ( 0.000 -0.364 0.000) 0.364 6.083 ( 0.000 1.098 0.000) 1.098 6.085 ( 0.000 0.189 0.000) 0.189 6.134 ( 0.000 0.958 0.000) 0.958 6.193 ( 0.000 -3.317 0.000) 3.317 6.268 ( 0.000 -0.956 0.000) 0.956 6.275 ( 0.000 -0.412 0.000) 0.412 6.388 ( 0.000 0.555 0.000) 0.555 6.397 ( 0.000 -0.440 0.000) 0.440 6.824 ( 0.000 9.445 0.000) 9.445 6.978 ( 0.000 11.154 0.000) 11.154 6.984 ( 0.000 -6.380 0.000) 6.380 7.105 ( 0.000 -0.992 0.000) 0.992 7.348 ( 0.000 3.547 0.000) 3.547 7.409 ( 0.000 -3.110 0.000) 3.110 7.602 ( 0.000 -0.612 0.000) 0.612 7.604 ( 0.000 -0.679 0.000) 0.679 7.853 ( 0.000 2.418 0.000) 2.418 7.931 ( 0.000 7.175 0.000) 7.175 8.034 ( 0.000 -17.176 0.000) 17.176 8.106 ( 0.000 -10.995 0.000) 10.995 8.342 ( 0.000 6.087 0.000) 6.087 8.493 ( 0.000 -8.819 0.000) 8.819 8.529 ( 0.000 10.090 0.000) 10.090 8.746 ( 0.000 -11.780 0.000) 11.780 8.927 ( 0.000 5.678 0.000) 5.678 9.005 ( 0.000 -2.214 0.000) 2.214 9.235 ( 0.000 2.474 0.000) 2.474 9.252 ( 0.000 0.597 0.000) 0.597 9.434 ( 0.000 5.054 0.000) 5.054 9.531 ( 0.000 -4.990 0.000) 4.990 9.591 ( 0.000 6.032 0.000) 6.032 9.668 ( 0.000 -2.304 0.000) 2.304 9.826 ( 0.000 13.665 0.000) 13.665 9.978 ( 0.000 -2.483 0.000) 2.483 10.307 ( 0.000 4.443 0.000) 4.443 10.397 ( 0.000 -4.010 0.000) 4.010 10.411 ( 0.000 16.620 0.000) 16.620 10.472 ( 0.000 3.038 0.000) 3.038 10.519 ( 0.000 -0.527 0.000) 0.527 10.657 ( 0.000 0.305 0.000) 0.305 10.760 ( 0.000 -4.197 0.000) 4.197 10.767 ( 0.000 -13.917 0.000) 13.917 10.835 ( 0.000 8.871 0.000) 8.871 11.010 ( 0.000 -8.275 0.000) 8.275 11.469 ( 0.000 -0.709 0.000) 0.709 11.521 ( 0.000 -5.145 0.000) 5.145 11.547 ( 0.000 8.468 0.000) 8.468 11.681 ( 0.000 -4.610 0.000) 4.610 11.684 ( 0.000 5.540 0.000) 5.540 11.781 ( 0.000 -2.747 0.000) 2.747 11.910 ( 0.000 2.049 0.000) 2.049 11.993 ( 0.000 -6.062 0.000) 6.062 12.198 ( 0.000 0.741 0.000) 0.741 12.252 ( 0.000 -4.135 0.000) 4.135 12.464 ( 0.000 7.076 0.000) 7.076 12.568 ( 0.000 -2.963 0.000) 2.963 12.850 ( 0.000 1.641 0.000) 1.641 12.869 ( 0.000 7.044 0.000) 7.044 12.886 ( 0.000 -2.739 0.000) 2.739 12.916 ( 0.000 2.822 0.000) 2.822 12.954 ( 0.000 -1.359 0.000) 1.359 12.969 ( 0.000 -2.957 0.000) 2.957 13.006 ( 0.000 -5.742 0.000) 5.742 13.021 ( 0.000 -7.041 0.000) 7.041 13.356 ( 0.000 4.285 0.000) 4.285 13.421 ( 0.000 -1.771 0.000) 1.771 13.525 ( 0.000 5.749 0.000) 5.749 13.647 ( 0.000 4.933 0.000) 4.933 13.654 ( 0.000 -6.363 0.000) 6.363 13.748 ( 0.000 -5.464 0.000) 5.464 13.799 ( 0.000 1.587 0.000) 1.587 13.848 ( 0.000 -3.587 0.000) 3.587 13.957 ( 0.000 -1.026 0.000) 1.026 13.961 ( 0.000 -0.939 0.000) 0.939 14.128 ( 0.000 8.232 0.000) 8.232 14.249 ( 0.000 -3.504 0.000) 3.504 14.379 ( 0.000 3.134 0.000) 3.134 14.387 ( 0.000 10.605 0.000) 10.605 14.437 ( 0.000 -2.752 0.000) 2.752 14.581 ( 0.000 -8.148 0.000) 8.148 14.701 ( 0.000 -0.141 0.000) 0.141 14.719 ( 0.000 -0.828 0.000) 0.828 14.754 ( 0.000 6.747 0.000) 6.747 14.804 ( 0.000 3.234 0.000) 3.234 14.920 ( 0.000 -3.405 0.000) 3.405 14.977 ( 0.000 -6.840 0.000) 6.840 16.400 ( 0.000 9.844 0.000) 9.844 16.592 ( 0.000 -9.743 0.000) 9.743 16.688 ( 0.000 0.878 0.000) 0.878 16.692 ( 0.000 0.232 0.000) 0.232 16.801 ( 0.000 2.911 0.000) 2.911 16.872 ( 0.000 -3.993 0.000) 3.993 16.953 ( 0.000 0.982 0.000) 0.982 16.967 ( 0.000 -0.482 0.000) 0.482 17.842 ( 0.000 7.064 0.000) 7.064 17.971 ( 0.000 -6.084 0.000) 6.084 18.203 ( 0.000 0.813 0.000) 0.813 18.212 ( 0.000 -0.063 0.000) 0.063 18.882 ( 0.000 2.986 0.000) 2.986 18.940 ( 0.000 -2.901 0.000) 2.901 19.090 ( 0.000 1.777 0.000) 1.777 19.124 ( 0.000 -1.698 0.000) 1.698 22.584 ( 0.000 7.373 0.000) 7.373 22.590 ( 0.000 3.646 0.000) 3.646 22.666 ( 0.000 -3.972 0.000) 3.972 22.740 ( 0.000 -8.486 0.000) 8.486 23.369 ( 0.000 1.021 0.000) 1.021 23.383 ( 0.000 -0.357 0.000) 0.357 23.578 ( 0.000 5.512 0.000) 5.512 23.673 ( 0.000 -4.249 0.000) 4.249 24.140 ( 0.000 3.671 0.000) 3.671 24.221 ( 0.000 -4.522 0.000) 4.522 24.304 ( 0.000 1.876 0.000) 1.876 24.336 ( 0.000 -1.377 0.000) 1.377 25.170 ( 0.000 8.442 0.000) 8.442 25.328 ( 0.000 -7.515 0.000) 7.515 25.375 ( 0.000 0.329 0.000) 0.329 25.394 ( 0.000 -1.609 0.000) 1.609 25.937 ( 0.000 0.003 0.000) 0.003 25.946 ( 0.000 -0.767 0.000) 0.767 26.471 ( 0.000 6.707 0.000) 6.707 26.603 ( 0.000 -6.754 0.000) 6.754 27.013 ( 0.000 6.690 0.000) 6.690 27.027 ( 0.000 3.776 0.000) 3.776 27.094 ( 0.000 -3.164 0.000) 3.164 27.146 ( 0.000 -6.774 0.000) 6.774 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 11.260 30.098 0.000) 32.135 1.585 ( 15.896 29.339 0.000) 33.368 2.051 ( 7.038 -25.211 0.000) 26.175 2.115 ( 8.920 -25.059 0.000) 26.599 2.510 ( 26.606 35.071 0.000) 44.021 2.780 ( -2.382 2.115 0.000) 3.186 2.819 ( -3.532 -1.604 0.000) 3.879 2.936 ( 1.149 2.793 0.000) 3.020 2.945 ( -2.856 5.485 0.000) 6.184 2.993 ( 1.444 -3.096 0.000) 3.417 2.998 ( 7.583 -10.517 0.000) 12.965 3.082 ( -1.443 -11.579 0.000) 11.668 3.303 ( 4.186 5.577 0.000) 6.973 3.427 ( 6.287 -5.826 0.000) 8.572 3.466 ( 1.280 5.354 0.000) 5.505 3.596 ( -3.453 -6.961 0.000) 7.770 3.646 ( -1.706 5.089 0.000) 5.368 3.715 ( -3.389 -1.714 0.000) 3.798 3.939 ( 5.746 -0.105 0.000) 5.747 3.970 ( 6.256 -2.928 0.000) 6.908 4.157 ( -0.400 4.543 0.000) 4.560 4.231 ( 1.121 -3.068 0.000) 3.267 4.401 ( -3.533 2.543 0.000) 4.353 4.451 ( -3.350 -1.630 0.000) 3.725 4.623 ( -6.667 8.385 0.000) 10.712 4.673 ( -10.398 10.783 0.000) 14.980 4.783 ( -9.949 -7.228 0.000) 12.297 4.903 ( -12.642 -10.771 0.000) 16.608 5.033 ( 2.173 4.880 0.000) 5.342 5.155 ( 1.373 -7.346 0.000) 7.473 5.203 ( -10.072 1.221 0.000) 10.146 5.280 ( -6.133 -5.621 0.000) 8.319 5.338 ( -13.014 2.598 0.000) 13.270 5.365 ( -0.343 4.958 0.000) 4.970 5.441 ( 0.900 -2.080 0.000) 2.266 5.445 ( -6.832 -7.697 0.000) 10.292 5.540 ( 1.521 8.909 0.000) 9.038 5.748 ( 1.376 2.441 0.000) 2.802 5.760 ( 1.282 -11.280 0.000) 11.353 5.795 ( -0.538 -2.717 0.000) 2.770 6.035 ( -0.228 0.919 0.000) 0.947 6.072 ( 3.324 -2.655 0.000) 4.254 6.103 ( -3.121 3.287 0.000) 4.533 6.188 ( 0.412 -4.623 0.000) 4.641 6.276 ( 9.719 3.442 0.000) 10.311 6.322 ( 10.885 -1.354 0.000) 10.968 6.350 ( -2.092 0.549 0.000) 2.163 6.352 ( -3.780 0.263 0.000) 3.789 6.440 ( 17.660 1.906 0.000) 17.763 6.506 ( 21.147 -5.903 0.000) 21.955 6.868 ( 3.881 8.596 0.000) 9.432 7.016 ( 5.425 9.383 0.000) 10.838 7.021 ( 2.997 -6.555 0.000) 7.207 7.137 ( 4.551 -3.035 0.000) 5.470 7.360 ( 3.319 8.450 0.000) 9.079 7.519 ( 8.823 -4.777 0.000) 10.033 7.587 ( -1.107 0.468 0.000) 1.202 7.607 ( -0.121 -1.528 0.000) 1.533 7.922 ( 6.111 0.933 0.000) 6.182 7.929 ( 0.187 7.629 0.000) 7.631 8.075 ( 3.598 -15.055 0.000) 15.479 8.107 ( 0.439 -10.672 0.000) 10.681 8.381 ( 4.077 5.832 0.000) 7.115 8.505 ( -2.448 9.929 0.000) 10.227 8.529 ( 3.720 -8.675 0.000) 9.439 8.721 ( -2.675 -11.803 0.000) 12.102 8.910 ( -1.286 5.228 0.000) 5.384 8.988 ( -1.065 -2.513 0.000) 2.729 9.184 ( -4.610 4.919 0.000) 6.742 9.233 ( -2.271 0.126 0.000) 2.274 9.369 ( -6.048 2.765 0.000) 6.650 9.429 ( -8.300 -2.420 0.000) 8.645 9.586 ( -2.028 2.760 0.000) 3.425 9.640 ( -3.067 -2.063 0.000) 3.696 9.774 ( -5.499 13.557 0.000) 14.630 9.948 ( -3.645 -4.243 0.000) 5.593 10.254 ( -3.439 7.385 0.000) 8.146 10.299 ( -8.171 12.532 0.000) 14.961 10.386 ( -2.269 -5.979 0.000) 6.395 10.519 ( -10.723 -9.551 0.000) 14.360 10.529 ( 4.339 2.642 0.000) 5.080 10.577 ( 6.376 -2.058 0.000) 6.700 10.740 ( 3.384 6.372 0.000) 7.215 10.886 ( 4.838 8.111 0.000) 9.445 10.918 ( 5.312 -11.460 0.000) 12.631 11.047 ( 3.614 -7.561 0.000) 8.380 11.471 ( 0.739 3.236 0.000) 3.320 11.555 ( 0.984 8.426 0.000) 8.483 11.590 ( 0.565 -7.945 0.000) 7.965 11.672 ( 2.112 6.004 0.000) 6.365 11.691 ( 1.051 -4.915 0.000) 5.027 11.771 ( -0.852 -2.984 0.000) 3.103 11.911 ( 0.235 1.954 0.000) 1.968 11.987 ( -0.542 -5.528 0.000) 5.555 12.205 ( 0.154 -0.101 0.000) 0.184 12.228 ( -2.443 -1.486 0.000) 2.859 12.453 ( -2.380 4.484 0.000) 5.077 12.500 ( -2.227 0.611 0.000) 2.309 12.816 ( -4.035 0.211 0.000) 4.041 12.854 ( -2.656 -3.695 0.000) 4.550 12.879 ( -0.266 5.301 0.000) 5.308 12.890 ( 0.019 2.337 0.000) 2.337 12.936 ( -1.109 2.666 0.000) 2.888 13.040 ( 1.243 -7.717 0.000) 7.816 13.056 ( 6.199 -3.185 0.000) 6.969 13.083 ( 6.777 -5.950 0.000) 9.018 13.365 ( 0.789 3.993 0.000) 4.071 13.421 ( -0.042 -1.289 0.000) 1.290 13.563 ( 3.531 5.982 0.000) 6.946 13.638 ( 0.383 2.932 0.000) 2.957 13.712 ( 4.428 -5.009 0.000) 6.686 13.744 ( -0.856 -5.306 0.000) 5.374 13.773 ( -2.488 1.681 0.000) 3.003 13.820 ( -2.676 -3.048 0.000) 4.055 13.975 ( 3.538 1.896 0.000) 4.015 14.026 ( 4.500 -3.270 0.000) 5.562 14.127 ( -0.115 7.235 0.000) 7.236 14.235 ( -1.290 -3.058 0.000) 3.318 14.361 ( -1.908 3.631 0.000) 4.102 14.380 ( -0.299 9.625 0.000) 9.630 14.429 ( -1.228 -3.313 0.000) 3.533 14.567 ( -1.516 -8.989 0.000) 9.116 14.692 ( 0.537 4.135 0.000) 4.170 14.711 ( -3.805 4.597 0.000) 5.968 14.760 ( 2.571 -3.145 0.000) 4.062 14.767 ( -4.101 1.103 0.000) 4.247 14.903 ( -0.727 -0.344 0.000) 0.804 14.987 ( 0.050 -6.179 0.000) 6.180 16.408 ( 0.773 9.534 0.000) 9.566 16.593 ( 0.145 -9.385 0.000) 9.386 16.674 ( -1.839 2.463 0.000) 3.074 16.709 ( 0.843 -1.541 0.000) 1.756 16.801 ( 0.478 2.009 0.000) 2.065 16.862 ( -0.359 -3.816 0.000) 3.833 16.949 ( -0.345 1.031 0.000) 1.088 16.965 ( -0.227 -0.567 0.000) 0.611 17.871 ( 2.855 6.549 0.000) 7.144 17.990 ( 1.843 -5.563 0.000) 5.860 18.159 ( -3.050 4.196 0.000) 5.188 18.201 ( -1.360 -0.632 0.000) 1.500 18.885 ( 0.299 2.740 0.000) 2.756 18.939 ( -0.113 -2.720 0.000) 2.723 19.057 ( -2.702 1.724 0.000) 3.205 19.093 ( -2.817 -1.843 0.000) 3.366 22.607 ( 2.196 7.324 0.000) 7.646 22.620 ( 2.882 2.979 0.000) 4.145 22.679 ( 1.250 -2.972 0.000) 3.224 22.762 ( 1.855 -8.427 0.000) 8.629 23.375 ( 0.666 0.868 0.000) 1.094 23.388 ( 0.548 -0.372 0.000) 0.662 23.566 ( -1.178 5.205 0.000) 5.337 23.652 ( -2.143 -3.318 0.000) 3.950 24.161 ( 2.039 3.306 0.000) 3.885 24.236 ( 1.523 -4.395 0.000) 4.652 24.318 ( 1.303 2.280 0.000) 2.626 24.367 ( 2.232 -2.829 0.000) 3.604 25.101 ( -6.160 8.439 0.000) 10.448 25.185 ( -13.384 7.394 0.000) 15.291 25.257 ( -6.074 -7.411 0.000) 9.582 25.300 ( -8.027 -4.969 0.000) 9.441 26.019 ( 7.529 0.553 0.000) 7.549 26.036 ( 8.021 -1.102 0.000) 8.096 26.614 ( 6.252 -0.630 0.000) 6.283 26.648 ( 3.091 -3.676 0.000) 4.803 27.048 ( 3.372 6.293 0.000) 7.140 27.100 ( 6.709 0.739 0.000) 6.749 27.144 ( 5.583 -3.329 0.000) 6.500 27.176 ( 2.873 -6.611 0.000) 7.208 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 20.707 20.258 0.000) 28.968 1.986 ( 23.452 20.402 0.000) 31.084 2.251 ( 12.425 -20.651 0.000) 24.100 2.353 ( 14.480 -16.636 0.000) 22.055 2.712 ( -5.738 0.745 0.000) 5.787 2.730 ( -4.244 -1.311 0.000) 4.442 2.879 ( -3.439 3.745 0.000) 5.085 2.939 ( -2.756 0.156 0.000) 2.760 2.944 ( -0.550 3.644 0.000) 3.686 3.025 ( 11.709 9.794 0.000) 15.265 3.026 ( 1.768 -4.860 0.000) 5.172 3.197 ( 3.837 -5.923 0.000) 7.057 3.341 ( 6.088 10.446 0.000) 12.090 3.489 ( 4.292 -3.348 0.000) 5.443 3.613 ( 8.421 -0.664 0.000) 8.447 3.633 ( 0.514 3.159 0.000) 3.201 3.677 ( 10.541 -4.950 0.000) 11.645 3.698 ( 1.612 -2.745 0.000) 3.183 4.035 ( 1.630 0.374 0.000) 1.673 4.054 ( 1.163 -1.390 0.000) 1.812 4.164 ( 1.501 9.631 0.000) 9.747 4.290 ( -8.385 0.329 0.000) 8.392 4.300 ( 5.825 -3.803 0.000) 6.957 4.321 ( -3.400 -2.308 0.000) 4.109 4.528 ( -3.762 8.377 0.000) 9.183 4.586 ( -0.217 -0.639 0.000) 0.675 4.623 ( -4.515 -4.530 0.000) 6.396 4.753 ( 0.773 -6.480 0.000) 6.526 4.935 ( -12.562 2.135 0.000) 12.742 4.992 ( -6.043 5.544 0.000) 8.200 5.073 ( -11.935 -1.886 0.000) 12.083 5.082 ( -8.150 -3.604 0.000) 8.911 5.141 ( -10.699 -8.341 0.000) 13.566 5.196 ( -15.410 -8.771 0.000) 17.732 5.361 ( -0.023 7.801 0.000) 7.801 5.480 ( 2.649 -4.386 0.000) 5.124 5.644 ( 3.378 7.919 0.000) 8.610 5.752 ( -5.328 0.270 0.000) 5.335 5.756 ( -2.063 -0.901 0.000) 2.251 5.785 ( 2.278 -4.408 0.000) 4.962 5.912 ( -10.001 4.866 0.000) 11.122 6.040 ( -1.459 7.535 0.000) 7.675 6.044 ( -6.570 -6.840 0.000) 9.484 6.181 ( -1.045 -6.292 0.000) 6.378 6.353 ( 5.829 2.219 0.000) 6.237 6.398 ( 6.596 -2.485 0.000) 7.049 6.527 ( 14.331 3.643 0.000) 14.787 6.576 ( 12.440 -0.986 0.000) 12.479 6.713 ( 8.972 0.904 0.000) 9.017 6.769 ( 5.486 -4.796 0.000) 7.287 6.940 ( 2.630 6.172 0.000) 6.709 7.060 ( 0.121 -5.899 0.000) 5.900 7.200 ( 10.741 6.621 0.000) 12.618 7.298 ( 9.427 -2.799 0.000) 9.834 7.508 ( 12.660 14.343 0.000) 19.131 7.557 ( -1.964 1.716 0.000) 2.608 7.592 ( -1.693 -1.785 0.000) 2.460 7.743 ( 14.398 -4.906 0.000) 15.211 7.957 ( 2.647 8.819 0.000) 9.207 8.043 ( 5.082 -0.947 0.000) 5.169 8.130 ( 1.570 -8.287 0.000) 8.434 8.162 ( 5.464 -10.717 0.000) 12.030 8.431 ( -5.117 8.705 0.000) 10.098 8.497 ( 7.220 4.964 0.000) 8.762 8.631 ( -6.736 -11.512 0.000) 13.338 8.642 ( 7.780 -9.072 0.000) 11.951 8.905 ( 1.630 4.112 0.000) 4.423 8.987 ( 1.411 -3.712 0.000) 3.971 9.048 ( -9.543 9.066 0.000) 13.163 9.170 ( -4.105 3.670 0.000) 5.506 9.224 ( -8.479 -6.058 0.000) 10.420 9.268 ( -6.234 -4.161 0.000) 7.495 9.509 ( -4.948 1.513 0.000) 5.174 9.542 ( -6.733 -1.384 0.000) 6.874 9.615 ( -9.789 11.981 0.000) 15.471 9.816 ( -9.789 -7.807 0.000) 12.521 10.172 ( -4.080 9.687 0.000) 10.512 10.194 ( -2.650 7.808 0.000) 8.245 10.324 ( -3.511 -5.661 0.000) 6.661 10.344 ( -6.561 -8.450 0.000) 10.698 10.624 ( 5.322 4.301 0.000) 6.843 10.732 ( 8.395 -6.511 0.000) 10.624 10.787 ( 1.152 7.691 0.000) 7.777 10.979 ( 1.162 -11.501 0.000) 11.559 11.007 ( 7.191 6.785 0.000) 9.887 11.139 ( 5.513 -5.767 0.000) 7.978 11.453 ( -3.651 4.582 0.000) 5.859 11.501 ( -6.386 0.567 0.000) 6.411 11.589 ( 2.472 7.957 0.000) 8.332 11.726 ( 2.516 -6.001 0.000) 6.507 11.737 ( 0.189 0.449 0.000) 0.487 11.773 ( 2.230 -4.471 0.000) 4.996 11.926 ( 1.532 1.696 0.000) 2.286 11.980 ( 0.136 -3.958 0.000) 3.960 12.148 ( -4.963 2.203 0.000) 5.430 12.189 ( -2.380 -2.121 0.000) 3.188 12.442 ( 2.651 6.110 0.000) 6.661 12.507 ( 1.775 1.010 0.000) 2.042 12.711 ( -5.620 2.964 0.000) 6.354 12.790 ( -4.268 -3.884 0.000) 5.770 12.826 ( -1.902 3.316 0.000) 3.823 12.917 ( -1.084 3.715 0.000) 3.870 12.922 ( 0.484 -4.528 0.000) 4.554 13.034 ( -1.990 -7.682 0.000) 7.936 13.203 ( 7.997 0.486 0.000) 8.012 13.241 ( 8.530 -4.185 0.000) 9.502 13.380 ( 0.590 3.252 0.000) 3.305 13.419 ( -0.064 -0.517 0.000) 0.521 13.619 ( 0.977 4.078 0.000) 4.193 13.671 ( 1.824 0.841 0.000) 2.009 13.713 ( -3.246 1.685 0.000) 3.657 13.733 ( 2.543 0.869 0.000) 2.687 13.755 ( -3.526 -2.380 0.000) 4.254 13.833 ( 7.849 -5.893 0.000) 9.815 14.070 ( 5.314 1.033 0.000) 5.413 14.115 ( 4.170 -3.037 0.000) 5.159 14.118 ( -1.219 5.715 0.000) 5.844 14.204 ( -1.809 -2.289 0.000) 2.918 14.300 ( -4.359 3.933 0.000) 5.871 14.379 ( -3.851 -4.062 0.000) 5.597 14.391 ( 1.578 7.179 0.000) 7.351 14.535 ( -1.314 -6.746 0.000) 6.872 14.622 ( -4.993 2.492 0.000) 5.580 14.664 ( -5.588 -0.449 0.000) 5.606 14.723 ( 2.516 4.879 0.000) 5.490 14.810 ( 2.526 -4.074 0.000) 4.793 14.890 ( -1.002 1.193 0.000) 1.558 14.966 ( -2.142 -5.021 0.000) 5.459 16.431 ( 1.576 8.740 0.000) 8.881 16.599 ( 0.505 -8.437 0.000) 8.452 16.613 ( -3.975 4.377 0.000) 5.912 16.694 ( -2.195 -3.885 0.000) 4.462 16.830 ( 2.276 1.753 0.000) 2.873 16.879 ( 1.768 -3.110 0.000) 3.578 16.938 ( -0.861 1.207 0.000) 1.483 16.958 ( -0.544 -0.861 0.000) 1.018 17.945 ( 4.438 5.135 0.000) 6.787 18.036 ( 2.537 -4.012 0.000) 4.747 18.117 ( -1.156 4.925 0.000) 5.059 18.164 ( -2.302 -0.472 0.000) 2.350 18.894 ( 0.728 2.083 0.000) 2.207 18.938 ( 0.068 -2.253 0.000) 2.254 19.002 ( -2.780 1.032 0.000) 2.966 19.030 ( -3.227 -1.738 0.000) 3.665 22.659 ( 2.738 6.635 0.000) 7.178 22.691 ( 3.938 1.076 0.000) 4.082 22.707 ( 1.385 -0.456 0.000) 1.458 22.795 ( 1.235 -7.122 0.000) 7.228 23.396 ( 1.485 0.726 0.000) 1.653 23.409 ( 1.766 -0.425 0.000) 1.816 23.533 ( -2.216 4.035 0.000) 4.603 23.595 ( -3.448 -1.981 0.000) 3.976 24.217 ( 3.533 2.264 0.000) 4.196 24.277 ( 2.444 -3.935 0.000) 4.632 24.344 ( 1.028 1.942 0.000) 2.197 24.392 ( -0.048 -3.081 0.000) 3.081 24.968 ( -8.230 9.805 0.000) 12.801 24.969 ( -6.475 9.028 0.000) 11.110 25.134 ( -5.738 -7.775 0.000) 9.663 25.144 ( -6.822 -8.271 0.000) 10.721 26.197 ( 9.896 0.987 0.000) 9.945 26.218 ( 9.829 -1.035 0.000) 9.883 26.637 ( -2.238 0.252 0.000) 2.252 26.654 ( -3.009 -1.298 0.000) 3.277 27.131 ( 4.635 5.408 0.000) 7.122 27.206 ( 3.932 1.819 0.000) 4.332 27.248 ( 4.095 -6.352 0.000) 7.557 27.289 ( 6.238 -7.229 0.000) 9.548 ======================= Grid point 17 (12/48) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 18.801 10.224 0.000) 21.401 2.446 ( 21.621 12.095 0.000) 24.774 2.481 ( 9.818 -12.893 0.000) 16.206 2.545 ( -10.988 3.384 0.000) 11.497 2.607 ( 1.929 -5.134 0.000) 5.485 2.682 ( 6.417 -8.962 0.000) 11.023 2.775 ( -9.519 4.891 0.000) 10.702 2.854 ( -5.278 -2.758 0.000) 5.955 2.922 ( -0.863 6.403 0.000) 6.461 2.973 ( -7.493 8.173 0.000) 11.088 3.063 ( 2.461 -7.655 0.000) 8.040 3.148 ( -5.877 -8.370 0.000) 10.227 3.622 ( 12.161 1.223 0.000) 12.222 3.661 ( 11.981 -1.657 0.000) 12.095 3.663 ( 2.058 3.825 0.000) 4.344 3.757 ( 3.391 -3.968 0.000) 5.219 3.777 ( 5.747 -1.045 0.000) 5.842 3.784 ( 2.028 -1.107 0.000) 2.310 3.915 ( -10.844 -0.133 0.000) 10.845 3.962 ( -10.681 -4.926 0.000) 11.762 4.231 ( 5.105 6.309 0.000) 8.116 4.240 ( 2.305 3.420 0.000) 4.125 4.311 ( -3.504 -1.625 0.000) 3.862 4.314 ( -0.362 -4.290 0.000) 4.305 4.574 ( 2.840 2.203 0.000) 3.594 4.654 ( 0.870 9.784 0.000) 9.823 4.663 ( 5.465 -5.898 0.000) 8.041 4.757 ( 12.241 11.117 0.000) 16.536 4.845 ( -8.742 -5.591 0.000) 10.377 4.853 ( -6.515 3.569 0.000) 7.428 4.869 ( -7.571 0.404 0.000) 7.582 4.911 ( -4.722 -1.058 0.000) 4.839 4.955 ( -6.129 -5.636 0.000) 8.326 5.095 ( 17.414 -18.138 0.000) 25.145 5.228 ( -19.227 12.322 0.000) 22.837 5.461 ( -10.561 -9.494 0.000) 14.202 5.567 ( -1.712 4.768 0.000) 5.066 5.624 ( -5.851 4.851 0.000) 7.600 5.665 ( -5.402 -4.043 0.000) 6.748 5.695 ( -3.673 -3.193 0.000) 4.867 5.952 ( 6.335 4.766 0.000) 7.927 6.022 ( -1.500 6.345 0.000) 6.520 6.028 ( 5.618 -1.889 0.000) 5.927 6.138 ( -3.883 -4.446 0.000) 5.903 6.524 ( 9.901 0.841 0.000) 9.937 6.552 ( 8.271 -2.139 0.000) 8.543 6.662 ( -2.728 1.725 0.000) 3.227 6.691 ( -2.976 -0.738 0.000) 3.066 6.843 ( 7.036 0.716 0.000) 7.072 6.891 ( 8.332 -3.587 0.000) 9.071 6.948 ( -2.232 2.899 0.000) 3.658 7.014 ( -4.559 -3.964 0.000) 6.041 7.379 ( 7.820 4.377 0.000) 8.962 7.438 ( 5.478 -1.019 0.000) 5.572 7.502 ( -4.151 2.303 0.000) 4.747 7.532 ( -4.293 -0.529 0.000) 4.326 7.806 ( 14.637 15.428 0.000) 21.267 7.985 ( -2.246 11.544 0.000) 11.760 8.062 ( 16.340 -0.956 0.000) 16.368 8.109 ( 1.923 -0.760 0.000) 2.068 8.137 ( -1.194 -2.245 0.000) 2.543 8.283 ( 6.686 -10.077 0.000) 12.093 8.306 ( -8.043 4.147 0.000) 9.050 8.453 ( -10.639 -10.676 0.000) 15.072 8.651 ( 8.606 6.121 0.000) 10.561 8.816 ( 9.362 -9.173 0.000) 13.107 8.840 ( -10.589 8.107 0.000) 13.336 8.995 ( 7.149 1.227 0.000) 7.253 9.010 ( -10.350 -4.776 0.000) 11.399 9.052 ( 5.037 -3.237 0.000) 5.987 9.119 ( -4.192 -2.065 0.000) 4.673 9.167 ( -5.769 -3.643 0.000) 6.823 9.416 ( -3.943 1.676 0.000) 4.284 9.443 ( -6.344 7.373 0.000) 9.727 9.462 ( 2.071 -3.358 0.000) 3.945 9.601 ( -10.613 -8.161 0.000) 13.388 10.134 ( -0.232 7.778 0.000) 7.782 10.150 ( -1.707 7.138 0.000) 7.340 10.263 ( -1.818 -6.050 0.000) 6.317 10.267 ( -1.893 -5.204 0.000) 5.537 10.723 ( 4.317 6.083 0.000) 7.459 10.783 ( -1.647 7.179 0.000) 7.366 10.880 ( 6.280 -9.747 0.000) 11.595 10.967 ( -2.466 -11.317 0.000) 11.582 11.159 ( 8.136 5.910 0.000) 10.056 11.257 ( 6.377 -3.179 0.000) 7.126 11.322 ( -8.281 5.116 0.000) 9.734 11.383 ( -6.189 -0.397 0.000) 6.202 11.649 ( 3.390 6.336 0.000) 7.186 11.709 ( -2.468 3.558 0.000) 4.330 11.776 ( 2.107 -6.637 0.000) 6.964 11.799 ( -0.043 -5.819 0.000) 5.820 11.977 ( 3.374 1.020 0.000) 3.525 12.009 ( 3.445 -2.046 0.000) 4.007 12.052 ( -4.471 2.472 0.000) 5.109 12.108 ( -5.502 -2.883 0.000) 6.211 12.538 ( 5.924 5.132 0.000) 7.838 12.557 ( 3.508 4.343 0.000) 5.583 12.615 ( -3.999 5.574 0.000) 6.860 12.681 ( -6.718 0.735 0.000) 6.758 12.834 ( 2.680 0.673 0.000) 2.763 12.889 ( -1.968 0.010 0.000) 1.968 12.926 ( 0.548 -7.254 0.000) 7.275 12.969 ( -3.844 -6.807 0.000) 7.817 13.329 ( 4.520 2.663 0.000) 5.246 13.375 ( 4.302 -2.088 0.000) 4.782 13.380 ( -0.917 3.027 0.000) 3.163 13.416 ( -0.546 -0.588 0.000) 0.803 13.633 ( 0.994 1.303 0.000) 1.639 13.660 ( -1.957 1.088 0.000) 2.239 13.665 ( -0.194 -2.301 0.000) 2.309 13.692 ( -2.665 -2.129 0.000) 3.411 13.879 ( 9.626 6.687 0.000) 11.721 14.005 ( 8.991 -4.661 0.000) 10.127 14.049 ( -6.468 6.003 0.000) 8.824 14.150 ( -4.840 -3.213 0.000) 5.809 14.157 ( 3.069 0.101 0.000) 3.071 14.192 ( 4.209 -2.836 0.000) 5.076 14.210 ( -3.526 3.194 0.000) 4.758 14.286 ( -5.161 -4.563 0.000) 6.889 14.442 ( 3.534 4.529 0.000) 5.744 14.524 ( -4.771 2.571 0.000) 5.420 14.528 ( 0.796 -3.285 0.000) 3.380 14.571 ( -3.621 -1.116 0.000) 3.789 14.786 ( 3.646 3.018 0.000) 4.732 14.853 ( -2.826 1.172 0.000) 3.059 14.860 ( 2.567 -4.275 0.000) 4.986 14.913 ( -2.915 -4.128 0.000) 5.054 16.471 ( 2.621 7.591 0.000) 8.031 16.534 ( -3.776 6.076 0.000) 7.154 16.615 ( 1.196 -7.091 0.000) 7.192 16.648 ( -2.111 -5.499 0.000) 5.890 16.877 ( 2.245 1.659 0.000) 2.791 16.914 ( -1.551 1.455 0.000) 2.127 16.915 ( 1.704 -2.210 0.000) 2.790 16.942 ( -1.074 -1.404 0.000) 1.768 18.034 ( 4.347 3.137 0.000) 5.361 18.080 ( 1.775 -1.445 0.000) 2.289 18.102 ( -0.800 1.975 0.000) 2.131 18.110 ( -3.143 0.970 0.000) 3.289 18.915 ( 1.435 1.293 0.000) 1.932 18.946 ( 0.889 -1.752 0.000) 1.965 18.952 ( -2.254 0.814 0.000) 2.396 18.976 ( -2.198 -1.554 0.000) 2.692 22.704 ( 1.663 5.020 0.000) 5.289 22.720 ( 0.038 2.582 0.000) 2.582 22.765 ( 2.988 -1.825 0.000) 3.501 22.802 ( -0.733 -4.755 0.000) 4.811 23.433 ( 2.289 1.395 0.000) 2.681 23.457 ( 3.058 -0.763 0.000) 3.151 23.483 ( -2.667 2.600 0.000) 3.724 23.524 ( -3.631 -1.186 0.000) 3.819 24.293 ( 3.963 0.650 0.000) 4.016 24.324 ( 2.099 -2.724 0.000) 3.439 24.350 ( -0.537 -0.221 0.000) 0.581 24.362 ( -2.780 -1.438 0.000) 3.130 24.864 ( -2.396 10.090 0.000) 10.370 24.871 ( -2.992 9.904 0.000) 10.347 25.052 ( -2.362 -9.034 0.000) 9.338 25.052 ( -2.285 -8.536 0.000) 8.836 26.388 ( 9.243 0.899 0.000) 9.287 26.404 ( 8.784 -0.575 0.000) 8.803 26.548 ( -6.723 0.411 0.000) 6.735 26.555 ( -6.491 -0.171 0.000) 6.493 27.212 ( 3.267 4.539 0.000) 5.592 27.246 ( 0.056 3.634 0.000) 3.634 27.322 ( 3.042 -6.469 0.000) 7.149 27.352 ( 0.406 -7.171 0.000) 7.183 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.000 0.000 35.277) 35.277 0.702 ( 0.000 0.000 37.562) 37.562 0.972 ( 0.000 0.000 51.872) 51.872 2.694 ( 0.000 0.000 -6.422) 6.422 2.716 ( 0.000 0.000 -9.388) 9.388 2.728 ( 0.000 0.000 -3.771) 3.771 2.758 ( 0.000 0.000 4.704) 4.704 2.803 ( 0.000 0.000 -11.142) 11.142 2.828 ( 0.000 0.000 1.148) 1.148 2.948 ( 0.000 0.000 5.980) 5.980 2.996 ( 0.000 0.000 -2.475) 2.475 3.168 ( 0.000 0.000 -13.201) 13.201 3.196 ( 0.000 0.000 -6.119) 6.119 3.306 ( 0.000 0.000 -5.130) 5.130 3.348 ( 0.000 0.000 4.103) 4.103 3.548 ( 0.000 0.000 4.311) 4.311 3.672 ( 0.000 0.000 -11.096) 11.096 3.895 ( 0.000 0.000 13.729) 13.729 4.049 ( 0.000 0.000 -11.327) 11.327 4.058 ( 0.000 0.000 1.831) 1.831 4.072 ( 0.000 0.000 -4.158) 4.158 4.114 ( 0.000 0.000 -2.853) 2.853 4.261 ( 0.000 0.000 -5.287) 5.287 4.342 ( 0.000 0.000 -0.330) 0.330 4.374 ( 0.000 0.000 -2.695) 2.695 4.452 ( 0.000 0.000 1.309) 1.309 4.858 ( 0.000 0.000 -17.731) 17.731 4.874 ( 0.000 0.000 -1.604) 1.604 5.104 ( 0.000 0.000 -15.353) 15.353 5.208 ( 0.000 0.000 -2.779) 2.779 5.230 ( 0.000 0.000 -15.218) 15.218 5.284 ( 0.000 0.000 0.977) 0.977 5.368 ( 0.000 0.000 -1.368) 1.368 5.492 ( 0.000 0.000 4.137) 4.137 5.529 ( 0.000 0.000 -7.522) 7.522 5.588 ( 0.000 0.000 0.141) 0.141 5.650 ( 0.000 0.000 10.791) 10.791 5.701 ( 0.000 0.000 3.693) 3.693 5.832 ( 0.000 0.000 -2.871) 2.871 5.932 ( 0.000 0.000 -9.114) 9.114 6.014 ( 0.000 0.000 -7.373) 7.373 6.046 ( 0.000 0.000 13.806) 13.806 6.163 ( 0.000 0.000 9.901) 9.901 6.175 ( 0.000 0.000 7.351) 7.351 6.201 ( 0.000 0.000 -0.776) 0.776 6.342 ( 0.000 0.000 -5.118) 5.118 6.352 ( 0.000 0.000 4.458) 4.458 6.386 ( 0.000 0.000 1.985) 1.985 6.418 ( 0.000 0.000 3.832) 3.832 6.445 ( 0.000 0.000 4.127) 4.127 6.631 ( 0.000 0.000 4.386) 4.386 6.822 ( 0.000 0.000 7.655) 7.655 7.007 ( 0.000 0.000 -2.349) 2.349 7.152 ( 0.000 0.000 2.611) 2.611 7.201 ( 0.000 0.000 7.479) 7.479 7.328 ( 0.000 0.000 -9.689) 9.689 7.686 ( 0.000 0.000 6.063) 6.063 7.786 ( 0.000 0.000 11.303) 11.303 7.804 ( 0.000 0.000 0.534) 0.534 7.917 ( 0.000 0.000 2.832) 2.832 8.280 ( 0.000 0.000 1.994) 1.994 8.316 ( 0.000 0.000 -1.225) 1.225 8.486 ( 0.000 0.000 1.960) 1.960 8.659 ( 0.000 0.000 4.149) 4.149 8.780 ( 0.000 0.000 -5.712) 5.712 8.817 ( 0.000 0.000 -2.680) 2.680 8.953 ( 0.000 0.000 -6.796) 6.796 9.045 ( 0.000 0.000 -3.416) 3.416 9.116 ( 0.000 0.000 -0.364) 0.364 9.155 ( 0.000 0.000 2.130) 2.130 9.233 ( 0.000 0.000 1.967) 1.967 9.408 ( 0.000 0.000 5.951) 5.951 9.617 ( 0.000 0.000 -2.094) 2.094 9.636 ( 0.000 0.000 3.803) 3.803 9.705 ( 0.000 0.000 0.843) 0.843 9.896 ( 0.000 0.000 -8.856) 8.856 9.944 ( 0.000 0.000 1.080) 1.080 10.342 ( 0.000 0.000 -2.245) 2.245 10.392 ( 0.000 0.000 8.357) 8.357 10.405 ( 0.000 0.000 0.270) 0.270 10.415 ( 0.000 0.000 -10.492) 10.492 10.663 ( 0.000 0.000 -1.595) 1.595 10.705 ( 0.000 0.000 5.531) 5.531 10.880 ( 0.000 0.000 4.278) 4.278 11.118 ( 0.000 0.000 -1.893) 1.893 11.204 ( 0.000 0.000 0.350) 0.350 11.272 ( 0.000 0.000 -2.390) 2.390 11.528 ( 0.000 0.000 -10.267) 10.267 11.634 ( 0.000 0.000 -1.305) 1.305 11.673 ( 0.000 0.000 3.358) 3.358 11.785 ( 0.000 0.000 2.512) 2.512 11.862 ( 0.000 0.000 -0.696) 0.696 11.978 ( 0.000 0.000 4.003) 4.003 12.069 ( 0.000 0.000 0.750) 0.750 12.165 ( 0.000 0.000 -0.680) 0.680 12.198 ( 0.000 0.000 -3.590) 3.590 12.338 ( 0.000 0.000 5.016) 5.016 12.406 ( 0.000 0.000 1.202) 1.202 12.648 ( 0.000 0.000 4.736) 4.736 12.858 ( 0.000 0.000 2.906) 2.906 12.886 ( 0.000 0.000 -1.997) 1.997 12.941 ( 0.000 0.000 -0.106) 0.106 12.979 ( 0.000 0.000 -6.085) 6.085 13.117 ( 0.000 0.000 -15.008) 15.008 13.213 ( 0.000 0.000 4.246) 4.246 13.238 ( 0.000 0.000 -1.330) 1.330 13.291 ( 0.000 0.000 -1.240) 1.240 13.475 ( 0.000 0.000 -1.676) 1.676 13.523 ( 0.000 0.000 1.134) 1.134 13.583 ( 0.000 0.000 8.807) 8.807 13.760 ( 0.000 0.000 -0.552) 0.552 13.768 ( 0.000 0.000 0.068) 0.068 13.882 ( 0.000 0.000 -2.178) 2.178 13.905 ( 0.000 0.000 -5.286) 5.286 13.994 ( 0.000 0.000 -1.687) 1.687 14.059 ( 0.000 0.000 0.282) 0.282 14.099 ( 0.000 0.000 8.008) 8.008 14.179 ( 0.000 0.000 1.999) 1.999 14.207 ( 0.000 0.000 0.576) 0.576 14.286 ( 0.000 0.000 -5.585) 5.585 14.349 ( 0.000 0.000 4.577) 4.577 14.589 ( 0.000 0.000 5.824) 5.824 14.593 ( 0.000 0.000 0.784) 0.784 14.614 ( 0.000 0.000 -4.648) 4.648 14.850 ( 0.000 0.000 -0.447) 0.447 14.882 ( 0.000 0.000 7.262) 7.262 15.049 ( 0.000 0.000 0.263) 0.263 15.109 ( 0.000 0.000 -3.687) 3.687 16.213 ( 0.000 0.000 5.173) 5.173 16.638 ( 0.000 0.000 1.808) 1.808 16.664 ( 0.000 0.000 -2.213) 2.213 16.762 ( 0.000 0.000 -0.589) 0.589 16.855 ( 0.000 0.000 2.618) 2.618 16.931 ( 0.000 0.000 0.622) 0.622 16.964 ( 0.000 0.000 -0.066) 0.066 17.159 ( 0.000 0.000 -1.756) 1.756 17.607 ( 0.000 0.000 -0.222) 0.222 17.651 ( 0.000 0.000 -1.304) 1.304 18.095 ( 0.000 0.000 -0.399) 0.399 18.160 ( 0.000 0.000 -1.670) 1.670 18.836 ( 0.000 0.000 2.350) 2.350 19.008 ( 0.000 0.000 0.386) 0.386 19.048 ( 0.000 0.000 -0.200) 0.200 19.135 ( 0.000 0.000 -2.745) 2.745 22.432 ( 0.000 0.000 0.508) 0.508 22.506 ( 0.000 0.000 -0.704) 0.704 22.770 ( 0.000 0.000 1.080) 1.080 22.946 ( 0.000 0.000 -2.014) 2.014 23.345 ( 0.000 0.000 0.832) 0.832 23.413 ( 0.000 0.000 -0.386) 0.386 23.452 ( 0.000 0.000 0.293) 0.293 23.490 ( 0.000 0.000 -0.374) 0.374 24.290 ( 0.000 0.000 3.466) 3.466 24.335 ( 0.000 0.000 -0.568) 0.568 24.343 ( 0.000 0.000 -1.543) 1.543 24.679 ( 0.000 0.000 -2.981) 2.981 25.001 ( 0.000 0.000 3.713) 3.713 25.254 ( 0.000 0.000 1.675) 1.675 25.395 ( 0.000 0.000 -5.160) 5.160 25.467 ( 0.000 0.000 -1.767) 1.767 26.030 ( 0.000 0.000 5.656) 5.656 26.310 ( 0.000 0.000 -0.480) 0.480 26.761 ( 0.000 0.000 1.618) 1.618 26.790 ( 0.000 0.000 0.888) 0.888 26.865 ( 0.000 0.000 -0.155) 0.155 27.032 ( 0.000 0.000 -2.602) 2.602 27.168 ( 0.000 0.000 0.776) 0.776 27.286 ( 0.000 0.000 -1.170) 1.170 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 24.132 0.000 11.905) 26.909 1.013 ( 26.628 0.000 25.087) 36.584 1.723 ( 50.793 0.000 33.241) 60.704 2.647 ( -3.515 0.000 -4.910) 6.039 2.649 ( -2.107 0.000 -4.083) 4.595 2.736 ( -1.680 0.000 2.558) 3.060 2.756 ( 0.303 0.000 -6.278) 6.285 2.807 ( 0.260 0.000 -8.379) 8.383 2.828 ( 0.513 0.000 1.623) 1.702 2.993 ( 2.328 0.000 5.136) 5.639 3.043 ( 2.629 0.000 -4.659) 5.350 3.169 ( 1.599 0.000 -12.608) 12.709 3.264 ( 4.572 0.000 -7.134) 8.474 3.309 ( 0.550 0.000 -11.682) 11.695 3.332 ( -3.630 0.000 2.633) 4.484 3.583 ( 3.870 0.000 2.756) 4.751 3.660 ( -0.476 0.000 -8.551) 8.564 3.859 ( -5.271 0.000 3.146) 6.138 3.899 ( -3.909 0.000 -7.295) 8.276 3.964 ( -4.495 0.000 -0.138) 4.498 4.140 ( 7.771 0.000 8.479) 11.502 4.218 ( 6.685 0.000 -3.433) 7.516 4.310 ( 2.211 0.000 -3.732) 4.338 4.336 ( 2.779 0.000 -5.502) 6.164 4.453 ( 7.179 0.000 -1.196) 7.278 4.457 ( 0.642 0.000 3.983) 4.034 4.811 ( -3.671 0.000 -4.247) 5.613 4.928 ( -12.493 0.000 -7.105) 14.372 4.931 ( 2.997 0.000 -7.031) 7.643 5.074 ( -11.453 0.000 -17.633) 21.026 5.165 ( -5.192 0.000 -2.270) 5.666 5.218 ( -8.453 0.000 1.023) 8.515 5.350 ( -1.329 0.000 -10.678) 10.760 5.410 ( -6.334 0.000 7.601) 9.894 5.420 ( -0.389 0.000 -6.294) 6.306 5.550 ( -5.496 0.000 7.493) 9.292 5.769 ( 2.520 0.000 -1.178) 2.782 5.805 ( -6.548 0.000 1.128) 6.644 5.903 ( -3.173 0.000 0.119) 3.175 5.995 ( 5.849 0.000 -4.714) 7.512 6.029 ( 15.744 0.000 5.210) 16.584 6.034 ( -2.988 0.000 -5.526) 6.282 6.174 ( 7.816 0.000 -3.980) 8.771 6.175 ( -4.836 0.000 14.746) 15.519 6.244 ( -7.179 0.000 -3.034) 7.794 6.248 ( -1.242 0.000 -4.843) 5.000 6.392 ( -1.633 0.000 7.930) 8.096 6.419 ( 3.306 0.000 1.424) 3.599 6.504 ( 10.178 0.000 7.645) 12.729 6.611 ( 7.077 0.000 -4.357) 8.311 6.815 ( 0.847 0.000 3.055) 3.170 6.908 ( 16.725 0.000 -6.565) 17.967 7.085 ( 6.279 0.000 -0.690) 6.317 7.135 ( 1.158 0.000 -3.016) 3.231 7.240 ( 3.307 0.000 5.395) 6.327 7.382 ( 5.618 0.000 -5.692) 7.998 7.704 ( 2.052 0.000 7.873) 8.136 7.767 ( -2.010 0.000 12.326) 12.489 7.816 ( 0.869 0.000 1.287) 1.552 8.012 ( 8.472 0.000 -1.091) 8.542 8.308 ( -0.719 0.000 -0.118) 0.729 8.324 ( 4.712 0.000 0.981) 4.813 8.446 ( -4.354 0.000 3.055) 5.319 8.529 ( -8.907 0.000 2.805) 9.338 8.800 ( 0.931 0.000 -7.667) 7.724 8.867 ( 1.777 0.000 -1.115) 2.098 8.934 ( -1.084 0.000 -4.980) 5.097 9.068 ( 0.624 0.000 -3.931) 3.980 9.117 ( 1.438 0.000 -0.805) 1.648 9.166 ( -0.934 0.000 3.690) 3.806 9.202 ( -1.629 0.000 0.617) 1.742 9.386 ( -2.032 0.000 4.926) 5.328 9.422 ( -10.322 0.000 12.803) 16.446 9.592 ( -3.057 0.000 -1.732) 3.514 9.649 ( -5.248 0.000 0.730) 5.298 9.864 ( -2.461 0.000 -11.106) 11.375 9.929 ( -0.613 0.000 5.932) 5.964 10.223 ( -6.148 0.000 6.667) 9.069 10.427 ( -0.033 0.000 -7.450) 7.450 10.440 ( 2.886 0.000 -0.888) 3.020 10.583 ( 12.249 0.000 -2.028) 12.416 10.704 ( -0.209 0.000 2.786) 2.793 10.720 ( 1.084 0.000 -2.318) 2.559 10.840 ( 1.173 0.000 4.991) 5.127 11.099 ( -1.717 0.000 -2.670) 3.175 11.268 ( 4.004 0.000 -0.516) 4.038 11.274 ( 0.024 0.000 -1.327) 1.327 11.547 ( 1.512 0.000 -8.708) 8.839 11.556 ( -6.274 0.000 10.200) 11.975 11.600 ( -4.219 0.000 1.910) 4.632 11.778 ( -0.082 0.000 1.545) 1.547 11.901 ( 3.170 0.000 -1.735) 3.614 11.946 ( -2.118 0.000 2.041) 2.941 12.068 ( 0.001 0.000 0.429) 0.429 12.152 ( -1.175 0.000 -0.286) 1.210 12.205 ( 0.450 0.000 -4.657) 4.679 12.354 ( -4.211 0.000 1.093) 4.351 12.369 ( -0.639 0.000 4.912) 4.953 12.766 ( 11.841 0.000 1.225) 11.905 12.863 ( -1.881 0.000 -1.911) 2.682 12.876 ( 0.639 0.000 4.780) 4.823 12.938 ( -6.070 0.000 -3.909) 7.220 12.953 ( -2.692 0.000 -3.857) 4.703 13.086 ( 2.952 0.000 -11.262) 11.643 13.138 ( -2.710 0.000 -1.618) 3.156 13.285 ( 0.810 0.000 1.920) 2.084 13.299 ( 0.129 0.000 -6.117) 6.118 13.443 ( -1.247 0.000 1.121) 1.677 13.567 ( 4.090 0.000 1.860) 4.493 13.583 ( 0.010 0.000 9.039) 9.039 13.715 ( -2.976 0.000 -0.946) 3.123 13.810 ( 2.831 0.000 0.772) 2.934 13.869 ( -2.963 0.000 -0.923) 3.103 13.952 ( -5.372 0.000 3.435) 6.377 13.967 ( 7.604 0.000 -2.638) 8.048 14.019 ( 1.330 0.000 -0.082) 1.333 14.154 ( 4.437 0.000 4.500) 6.319 14.192 ( -1.209 0.000 -0.383) 1.269 14.273 ( 1.818 0.000 -3.671) 4.096 14.308 ( 2.001 0.000 -5.073) 5.454 14.320 ( -2.074 0.000 4.170) 4.657 14.568 ( -1.147 0.000 0.924) 1.473 14.576 ( -1.783 0.000 2.335) 2.938 14.606 ( -0.087 0.000 -0.240) 0.256 14.834 ( -4.531 0.000 6.288) 7.750 14.875 ( 2.349 0.000 -0.592) 2.422 15.041 ( -0.678 0.000 0.128) 0.690 15.083 ( -2.706 0.000 -3.146) 4.150 16.229 ( 1.566 0.000 5.200) 5.431 16.618 ( -2.302 0.000 2.435) 3.351 16.769 ( 4.713 0.000 -5.787) 7.463 16.775 ( 2.816 0.000 -2.584) 3.823 16.844 ( -1.083 0.000 2.235) 2.484 16.899 ( -5.162 0.000 0.472) 5.183 16.920 ( -1.010 0.000 0.237) 1.037 17.085 ( -4.724 0.000 1.605) 4.989 17.691 ( 7.383 0.000 -0.588) 7.406 17.695 ( 4.320 0.000 -1.002) 4.435 18.101 ( 0.429 0.000 -0.498) 0.658 18.159 ( -0.698 0.000 -2.282) 2.387 18.844 ( 0.773 0.000 2.107) 2.244 19.002 ( -0.534 0.000 0.313) 0.618 19.034 ( -1.294 0.000 -0.151) 1.303 19.110 ( -2.323 0.000 -2.434) 3.364 22.459 ( 2.626 0.000 0.622) 2.698 22.546 ( 3.953 0.000 -0.803) 4.034 22.757 ( -1.249 0.000 1.241) 1.761 22.943 ( -0.334 0.000 -1.975) 2.003 23.358 ( 1.194 0.000 0.720) 1.394 23.402 ( -0.019 0.000 0.691) 0.691 23.454 ( 0.198 0.000 0.218) 0.294 23.544 ( 2.477 0.000 -4.065) 4.760 24.265 ( -3.043 0.000 4.278) 5.250 24.322 ( 0.463 0.000 3.469) 3.500 24.354 ( 1.866 0.000 -0.630) 1.969 24.667 ( -1.227 0.000 -2.778) 3.037 24.848 ( -17.681 0.000 16.063) 23.888 24.952 ( -7.823 0.000 7.730) 10.998 25.347 ( -4.506 0.000 -4.931) 6.680 25.408 ( -4.968 0.000 -1.638) 5.231 26.108 ( 6.907 0.000 4.807) 8.415 26.118 ( 0.517 0.000 7.939) 7.955 26.728 ( -3.060 0.000 0.933) 3.199 26.766 ( -2.794 0.000 1.054) 2.986 26.914 ( 4.677 0.000 -0.079) 4.677 27.191 ( 1.872 0.000 1.087) 2.165 27.274 ( 4.414 0.000 -7.009) 8.283 27.456 ( 10.501 0.000 -12.970) 16.688 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 33.568 0.000 -8.401) 34.603 1.598 ( 30.948 0.000 13.828) 33.897 2.558 ( 2.472 0.000 -4.423) 5.067 2.622 ( -2.298 0.000 -6.154) 6.569 2.711 ( 24.805 0.000 5.839) 25.483 2.718 ( 1.279 0.000 -0.040) 1.280 2.749 ( 3.811 0.000 1.477) 4.087 2.822 ( -0.040 0.000 -3.178) 3.178 2.864 ( 7.624 0.000 5.133) 9.191 2.949 ( -2.727 0.000 2.067) 3.422 3.065 ( 0.275 0.000 -12.621) 12.624 3.204 ( -4.636 0.000 1.668) 4.927 3.274 ( -2.946 0.000 -7.509) 8.066 3.319 ( 9.088 0.000 -12.300) 15.293 3.354 ( 3.138 0.000 -16.281) 16.580 3.682 ( -10.363 0.000 -10.925) 15.059 3.701 ( 7.447 0.000 0.413) 7.459 3.707 ( 6.217 0.000 -0.924) 6.285 3.927 ( 6.580 0.000 -5.146) 8.353 3.948 ( 1.700 0.000 4.726) 5.022 4.270 ( 2.509 0.000 11.775) 12.040 4.302 ( 0.062 0.000 -9.487) 9.487 4.366 ( 5.839 0.000 -1.002) 5.925 4.506 ( 4.931 0.000 6.865) 8.452 4.508 ( 9.740 0.000 -2.147) 9.974 4.592 ( 6.885 0.000 -0.963) 6.952 4.683 ( -11.158 0.000 6.142) 12.737 4.688 ( -9.301 0.000 2.241) 9.567 4.778 ( -9.577 0.000 -2.550) 9.910 4.985 ( -7.568 0.000 -3.894) 8.511 5.052 ( -7.165 0.000 -4.579) 8.503 5.133 ( 6.122 0.000 -9.353) 11.179 5.222 ( -11.820 0.000 -4.885) 12.790 5.330 ( -2.964 0.000 7.483) 8.048 5.378 ( -6.453 0.000 -8.277) 10.495 5.465 ( -4.548 0.000 8.333) 9.493 5.671 ( -10.993 0.000 -1.396) 11.081 5.693 ( -8.572 0.000 -2.288) 8.872 5.715 ( 0.785 0.000 7.076) 7.119 5.956 ( -10.336 0.000 -1.148) 10.400 6.035 ( -2.123 0.000 8.058) 8.333 6.081 ( -10.869 0.000 -3.035) 11.285 6.159 ( -1.241 0.000 3.066) 3.308 6.179 ( -1.249 0.000 0.615) 1.392 6.246 ( 9.613 0.000 -3.453) 10.214 6.390 ( 9.463 0.000 -7.781) 12.251 6.431 ( 8.134 0.000 1.707) 8.311 6.521 ( 6.382 0.000 -3.507) 7.282 6.734 ( 5.770 0.000 -4.934) 7.592 6.741 ( 10.070 0.000 2.669) 10.417 6.916 ( 9.389 0.000 -4.568) 10.441 6.938 ( -5.463 0.000 -5.867) 8.017 7.206 ( 5.410 0.000 1.648) 5.655 7.266 ( 7.493 0.000 2.191) 7.807 7.322 ( 5.950 0.000 2.235) 6.356 7.518 ( 5.819 0.000 0.566) 5.846 7.725 ( -0.604 0.000 10.656) 10.673 7.753 ( 1.328 0.000 11.507) 11.583 7.828 ( 0.675 0.000 3.222) 3.292 8.159 ( 2.845 0.000 -3.375) 4.414 8.289 ( -1.304 0.000 1.891) 2.297 8.305 ( -4.619 0.000 3.058) 5.539 8.382 ( -5.241 0.000 2.018) 5.617 8.484 ( 8.976 0.000 -0.953) 9.026 8.781 ( -3.003 0.000 -8.262) 8.791 8.883 ( 0.734 0.000 -1.662) 1.817 8.969 ( 3.511 0.000 0.878) 3.619 9.011 ( -10.035 0.000 0.643) 10.056 9.033 ( -3.158 0.000 -3.934) 5.045 9.173 ( 2.261 0.000 0.077) 2.263 9.244 ( 3.711 0.000 3.270) 4.946 9.340 ( -2.522 0.000 0.458) 2.564 9.353 ( 0.324 0.000 7.507) 7.514 9.514 ( -2.992 0.000 0.635) 3.058 9.520 ( -7.499 0.000 1.387) 7.627 9.820 ( -2.749 0.000 -7.201) 7.708 9.924 ( 0.222 0.000 6.613) 6.617 10.112 ( -5.271 0.000 7.937) 9.528 10.391 ( -2.487 0.000 -4.407) 5.060 10.523 ( 5.030 0.000 -1.297) 5.195 10.603 ( -7.716 0.000 0.717) 7.749 10.728 ( 0.163 0.000 2.836) 2.840 10.816 ( 10.523 0.000 -5.940) 12.084 10.984 ( 10.136 0.000 1.746) 10.286 11.072 ( -0.649 0.000 -4.999) 5.041 11.267 ( -0.314 0.000 1.653) 1.682 11.340 ( 3.320 0.000 -2.025) 3.889 11.438 ( -5.260 0.000 3.056) 6.083 11.531 ( -2.987 0.000 6.988) 7.600 11.550 ( -2.282 0.000 -4.000) 4.605 11.808 ( 3.709 0.000 -2.257) 4.342 11.918 ( -0.651 0.000 0.590) 0.879 11.958 ( 2.348 0.000 -4.450) 5.032 12.043 ( -2.585 0.000 1.285) 2.886 12.116 ( -2.920 0.000 -1.259) 3.180 12.199 ( -1.623 0.000 -5.384) 5.624 12.306 ( 0.922 0.000 2.231) 2.413 12.359 ( 0.590 0.000 5.578) 5.610 12.737 ( -11.042 0.000 -3.951) 11.728 12.763 ( -8.732 0.000 0.740) 8.763 12.859 ( -0.106 0.000 2.918) 2.920 12.955 ( 2.375 0.000 0.504) 2.428 13.019 ( 10.539 0.000 1.305) 10.619 13.127 ( 0.473 0.000 -3.186) 3.221 13.185 ( 5.113 0.000 -7.500) 9.077 13.258 ( -3.350 0.000 1.854) 3.829 13.305 ( 1.209 0.000 -8.295) 8.382 13.436 ( 0.018 0.000 1.484) 1.485 13.583 ( 0.034 0.000 8.473) 8.473 13.655 ( -2.705 0.000 1.193) 2.956 13.666 ( 5.882 0.000 1.149) 5.993 13.815 ( -2.146 0.000 2.841) 3.560 13.855 ( -4.083 0.000 2.958) 5.042 13.881 ( 4.379 0.000 -0.304) 4.389 14.054 ( 1.035 0.000 -1.052) 1.475 14.106 ( 2.845 0.000 -4.511) 5.333 14.187 ( 3.216 0.000 -0.744) 3.301 14.201 ( -2.352 0.000 -0.153) 2.357 14.253 ( 0.827 0.000 5.130) 5.196 14.306 ( 0.443 0.000 -1.543) 1.605 14.355 ( 2.430 0.000 -4.071) 4.741 14.523 ( -3.006 0.000 0.530) 3.052 14.540 ( -2.386 0.000 -0.991) 2.584 14.625 ( 1.835 0.000 4.049) 4.445 14.728 ( -5.271 0.000 3.924) 6.571 14.931 ( 2.976 0.000 -0.970) 3.129 15.004 ( -5.251 0.000 -2.757) 5.931 15.029 ( -0.542 0.000 -0.463) 0.713 16.272 ( 2.793 0.000 5.414) 6.092 16.542 ( -5.209 0.000 4.094) 6.626 16.800 ( 1.641 0.000 -0.923) 1.883 16.808 ( -2.280 0.000 0.722) 2.391 16.825 ( -1.829 0.000 1.710) 2.504 16.866 ( 3.242 0.000 -5.339) 6.246 16.897 ( -1.056 0.000 -1.197) 1.597 17.012 ( -2.844 0.000 0.433) 2.877 17.806 ( 6.610 0.000 -0.710) 6.648 17.851 ( 8.137 0.000 -0.999) 8.198 18.104 ( -0.338 0.000 -0.756) 0.828 18.125 ( -2.735 0.000 -1.715) 3.228 18.867 ( 1.527 0.000 1.523) 2.156 18.990 ( -0.601 0.000 0.098) 0.609 18.999 ( -2.219 0.000 0.027) 2.219 19.055 ( -2.933 0.000 -1.699) 3.389 22.526 ( 3.999 0.000 0.919) 4.104 22.649 ( 6.214 0.000 -1.074) 6.307 22.723 ( -2.171 0.000 1.493) 2.634 22.926 ( -1.607 0.000 -1.897) 2.486 23.388 ( 1.801 0.000 0.472) 1.862 23.415 ( 1.200 0.000 0.532) 1.312 23.456 ( -0.139 0.000 0.154) 0.207 23.550 ( -1.609 0.000 -2.323) 2.826 24.242 ( 1.282 0.000 4.194) 4.386 24.356 ( 2.513 0.000 3.060) 3.959 24.407 ( 3.404 0.000 -0.831) 3.504 24.614 ( -7.813 0.000 9.235) 12.097 24.629 ( -2.607 0.000 -2.204) 3.414 24.796 ( -8.353 0.000 6.989) 10.891 25.249 ( -4.588 0.000 -4.471) 6.406 25.303 ( -5.302 0.000 -2.276) 5.770 26.224 ( 8.075 0.000 3.581) 8.833 26.264 ( 8.371 0.000 3.521) 9.081 26.652 ( -4.510 0.000 0.310) 4.520 26.686 ( -5.363 0.000 0.798) 5.422 27.028 ( 6.320 0.000 0.120) 6.321 27.221 ( 0.735 0.000 1.160) 1.373 27.359 ( 4.583 0.000 -4.405) 6.357 27.545 ( 0.571 0.000 -8.124) 8.144 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 29.192 0.000 -13.754) 32.270 2.165 ( 25.202 0.000 6.409) 26.005 2.416 ( -15.532 0.000 -13.216) 20.394 2.521 ( -10.135 0.000 -2.957) 10.557 2.724 ( 0.309 0.000 0.465) 0.558 2.748 ( 1.343 0.000 -5.334) 5.500 2.770 ( -4.510 0.000 3.629) 5.789 2.789 ( -2.665 0.000 -2.547) 3.686 2.896 ( 3.347 0.000 0.255) 3.356 3.000 ( -6.700 0.000 0.962) 6.769 3.089 ( 2.822 0.000 -15.823) 16.073 3.179 ( -5.727 0.000 -11.543) 12.886 3.422 ( 3.495 0.000 -13.448) 13.895 3.483 ( 8.579 0.000 -17.025) 19.065 3.497 ( 9.572 0.000 -9.363) 13.390 3.509 ( -6.366 0.000 -14.484) 15.821 3.912 ( 13.748 0.000 0.518) 13.758 3.937 ( 21.063 0.000 4.640) 21.568 4.019 ( 4.952 0.000 7.934) 9.353 4.171 ( 13.818 0.000 7.469) 15.707 4.200 ( -6.971 0.000 13.271) 14.990 4.281 ( -14.770 0.000 -0.198) 14.772 4.281 ( -1.574 0.000 -3.303) 3.659 4.540 ( 4.545 0.000 2.361) 5.122 4.570 ( 4.477 0.000 1.847) 4.843 4.630 ( -12.553 0.000 10.189) 16.168 4.634 ( -5.087 0.000 2.618) 5.721 4.663 ( 5.715 0.000 1.545) 5.921 4.729 ( 7.541 0.000 7.804) 10.852 4.868 ( -5.451 0.000 -1.306) 5.605 4.883 ( -6.997 0.000 -1.046) 7.074 4.954 ( -15.129 0.000 1.597) 15.213 5.157 ( -4.072 0.000 -6.782) 7.911 5.208 ( 1.702 0.000 1.352) 2.173 5.290 ( -6.594 0.000 6.236) 9.076 5.354 ( -15.656 0.000 -4.488) 16.286 5.473 ( 13.519 0.000 0.697) 13.537 5.741 ( 5.185 0.000 -3.942) 6.513 5.792 ( -15.044 0.000 0.373) 15.049 5.817 ( -3.127 0.000 -4.119) 5.171 5.877 ( 10.055 0.000 4.897) 11.184 6.007 ( 0.441 0.000 6.288) 6.304 6.075 ( -5.378 0.000 6.345) 8.318 6.085 ( -8.418 0.000 4.596) 9.591 6.444 ( 9.754 0.000 -5.496) 11.196 6.522 ( 4.697 0.000 -9.843) 10.906 6.568 ( 0.271 0.000 -5.424) 5.431 6.579 ( -0.636 0.000 -8.127) 8.152 6.821 ( 2.622 0.000 -6.073) 6.615 6.849 ( -1.700 0.000 -5.976) 6.214 6.911 ( 7.337 0.000 -7.441) 10.450 7.011 ( -1.706 0.000 -9.794) 9.942 7.353 ( 9.785 0.000 5.896) 11.424 7.386 ( 5.649 0.000 8.067) 9.848 7.449 ( 3.112 0.000 0.948) 3.253 7.505 ( -5.619 0.000 10.167) 11.617 7.742 ( 0.456 0.000 12.361) 12.369 7.815 ( -3.660 0.000 8.389) 9.152 7.830 ( 9.469 0.000 0.868) 9.508 8.027 ( -10.255 0.000 -0.752) 10.283 8.277 ( 1.135 0.000 0.645) 1.305 8.319 ( -2.332 0.000 1.504) 2.775 8.407 ( 10.440 0.000 -2.151) 10.659 8.618 ( -4.555 0.000 -2.727) 5.309 8.682 ( 1.245 0.000 -1.769) 2.163 8.807 ( -7.674 0.000 0.877) 7.724 8.917 ( 2.691 0.000 -3.028) 4.051 8.971 ( -2.796 0.000 -4.141) 4.996 9.117 ( 8.835 0.000 2.263) 9.120 9.184 ( 0.637 0.000 2.399) 2.482 9.254 ( -5.818 0.000 1.670) 6.053 9.270 ( -4.038 0.000 0.396) 4.057 9.368 ( 0.896 0.000 4.944) 5.025 9.394 ( -3.122 0.000 2.597) 4.061 9.567 ( 7.659 0.000 -1.119) 7.740 9.726 ( -7.066 0.000 -3.689) 7.971 9.949 ( 2.443 0.000 6.744) 7.173 10.017 ( -4.290 0.000 7.350) 8.511 10.371 ( 1.168 0.000 -1.356) 1.789 10.448 ( -6.485 0.000 1.084) 6.575 10.633 ( 5.055 0.000 0.156) 5.057 10.709 ( -2.419 0.000 1.724) 2.970 10.969 ( 5.409 0.000 -7.060) 8.894 11.050 ( -2.642 0.000 -7.254) 7.720 11.176 ( 8.850 0.000 -0.065) 8.850 11.313 ( 5.839 0.000 2.834) 6.491 11.321 ( -5.782 0.000 0.231) 5.787 11.418 ( 3.090 0.000 0.281) 3.103 11.453 ( -6.967 0.000 0.035) 6.967 11.476 ( -2.743 0.000 2.711) 3.857 11.915 ( 6.206 0.000 -6.722) 9.148 11.926 ( 1.582 0.000 1.054) 1.901 11.979 ( -3.475 0.000 1.934) 3.977 11.995 ( 0.234 0.000 -6.050) 6.055 12.054 ( -1.123 0.000 -2.541) 2.778 12.127 ( -5.362 0.000 -3.449) 6.376 12.396 ( 7.431 0.000 2.838) 7.955 12.405 ( 4.261 0.000 3.397) 5.449 12.534 ( -8.878 0.000 -0.277) 8.882 12.572 ( -9.939 0.000 2.167) 10.172 12.904 ( 4.239 0.000 2.006) 4.690 12.977 ( -1.499 0.000 1.549) 2.156 13.136 ( 0.971 0.000 -0.844) 1.286 13.167 ( 4.879 0.000 -1.921) 5.243 13.181 ( -3.515 0.000 1.562) 3.846 13.225 ( -1.029 0.000 -4.106) 4.233 13.371 ( 4.279 0.000 -4.245) 6.028 13.427 ( -1.344 0.000 0.141) 1.351 13.590 ( 0.805 0.000 6.118) 6.171 13.614 ( -1.616 0.000 3.887) 4.209 13.758 ( 1.555 0.000 2.418) 2.875 13.786 ( -1.935 0.000 3.169) 3.713 13.847 ( 6.381 0.000 0.621) 6.411 13.978 ( 5.225 0.000 -2.244) 5.687 13.998 ( -6.916 0.000 -1.206) 7.020 14.071 ( -3.949 0.000 -3.512) 5.284 14.180 ( 1.595 0.000 0.589) 1.700 14.228 ( -2.649 0.000 1.760) 3.181 14.296 ( 5.267 0.000 -2.992) 6.058 14.371 ( -1.850 0.000 -3.277) 3.763 14.374 ( 4.963 0.000 -0.676) 5.009 14.470 ( -4.510 0.000 -1.247) 4.679 14.498 ( 1.834 0.000 3.801) 4.220 14.580 ( -5.392 0.000 6.075) 8.123 14.746 ( 6.175 0.000 -0.948) 6.248 14.882 ( -6.944 0.000 -2.385) 7.343 14.983 ( 2.208 0.000 -1.303) 2.564 15.015 ( -1.048 0.000 -1.152) 1.558 16.339 ( 4.082 0.000 5.667) 6.984 16.433 ( -5.410 0.000 5.365) 7.619 16.786 ( -0.073 0.000 0.886) 0.889 16.798 ( -1.086 0.000 1.280) 1.678 16.834 ( 1.706 0.000 -0.935) 1.945 16.865 ( -1.485 0.000 -0.596) 1.600 16.924 ( 2.231 0.000 -3.997) 4.578 16.965 ( -2.076 0.000 -1.703) 2.685 17.938 ( 6.490 0.000 -0.740) 6.532 17.992 ( 5.889 0.000 -1.139) 5.998 18.051 ( -4.837 0.000 -1.105) 4.962 18.076 ( -2.739 0.000 -1.029) 2.926 18.904 ( 2.225 0.000 0.868) 2.388 18.951 ( -2.540 0.000 0.360) 2.565 18.985 ( 0.298 0.000 -0.287) 0.414 19.006 ( -1.875 0.000 -0.902) 2.081 22.605 ( 3.841 0.000 1.280) 4.049 22.673 ( -2.987 0.000 1.520) 3.352 22.773 ( 6.013 0.000 -1.437) 6.182 22.873 ( -3.936 0.000 -1.742) 4.304 23.423 ( 1.573 0.000 0.272) 1.597 23.447 ( -0.844 0.000 0.191) 0.865 23.449 ( 2.285 0.000 0.300) 2.305 23.501 ( -2.877 0.000 -0.421) 2.907 24.302 ( 4.233 0.000 1.368) 4.448 24.379 ( -2.066 0.000 0.105) 2.069 24.483 ( 4.232 0.000 -1.136) 4.382 24.536 ( 1.447 0.000 8.843) 8.961 24.565 ( -3.890 0.000 -1.561) 4.191 24.638 ( -7.353 0.000 7.902) 10.794 25.192 ( -0.891 0.000 -4.085) 4.181 25.216 ( -3.147 0.000 -3.211) 4.496 26.395 ( 8.838 0.000 1.892) 9.038 26.421 ( 7.445 0.000 2.167) 7.754 26.551 ( -5.843 0.000 0.873) 5.908 26.558 ( -7.555 0.000 1.063) 7.629 27.142 ( 4.862 0.000 0.371) 4.876 27.210 ( -2.007 0.000 0.771) 2.150 27.448 ( 4.290 0.000 -4.219) 6.017 27.519 ( -2.737 0.000 -5.261) 5.931 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 23.610 20.096) 31.005 0.979 ( 0.000 27.123 22.861) 35.472 1.596 ( 0.000 44.101 33.908) 55.630 2.446 ( 0.000 -19.240 -3.715) 19.595 2.518 ( 0.000 -18.337 6.344) 19.403 2.739 ( 0.000 2.258 -5.982) 6.394 2.791 ( 0.000 2.245 -8.731) 9.015 2.819 ( 0.000 0.955 -6.107) 6.181 2.851 ( 0.000 2.039 -0.494) 2.098 2.994 ( 0.000 -0.888 -1.924) 2.119 3.078 ( 0.000 8.453 1.862) 8.656 3.130 ( 0.000 -4.460 -5.072) 6.754 3.212 ( 0.000 0.343 -8.724) 8.730 3.287 ( 0.000 -2.008 -6.066) 6.390 3.378 ( 0.000 2.695 1.948) 3.325 3.588 ( 0.000 3.948 3.356) 5.182 3.630 ( 0.000 -4.269 -12.101) 12.832 3.867 ( 0.000 -2.442 10.987) 11.255 3.902 ( 0.000 -4.568 -5.407) 7.079 3.998 ( 0.000 -5.508 3.894) 6.745 4.093 ( 0.000 2.026 -3.570) 4.105 4.256 ( 0.000 0.472 -7.896) 7.910 4.349 ( 0.000 1.838 -7.140) 7.372 4.375 ( 0.000 2.871 -0.733) 2.963 4.399 ( 0.000 10.191 -5.720) 11.686 4.562 ( 0.000 9.102 -4.635) 10.215 4.847 ( 0.000 -2.830 -6.701) 7.274 4.877 ( 0.000 1.070 -15.381) 15.418 5.097 ( 0.000 -2.571 -16.153) 16.357 5.169 ( 0.000 -6.222 -5.757) 8.477 5.231 ( 0.000 2.014 -1.905) 2.772 5.264 ( 0.000 0.543 -3.314) 3.358 5.409 ( 0.000 -0.397 4.753) 4.770 5.423 ( 0.000 -4.999 -0.075) 4.999 5.435 ( 0.000 -0.306 0.169) 0.350 5.646 ( 0.000 2.565 3.041) 3.978 5.706 ( 0.000 0.554 -4.596) 4.629 5.740 ( 0.000 1.826 3.898) 4.304 5.806 ( 0.000 -2.465 0.404) 2.498 5.897 ( 0.000 -3.140 -6.940) 7.617 6.028 ( 0.000 -5.075 -0.620) 5.113 6.048 ( 0.000 0.249 -7.113) 7.117 6.124 ( 0.000 -2.533 8.053) 8.442 6.126 ( 0.000 -1.789 4.671) 5.002 6.190 ( 0.000 -0.380 5.012) 5.026 6.226 ( 0.000 -5.735 7.281) 9.268 6.272 ( 0.000 -3.001 -2.035) 3.626 6.317 ( 0.000 -5.253 4.102) 6.665 6.479 ( 0.000 5.440 7.017) 8.879 6.540 ( 0.000 2.789 7.922) 8.399 6.708 ( 0.000 7.411 5.053) 8.970 6.849 ( 0.000 3.844 5.665) 6.846 7.027 ( 0.000 1.498 -2.162) 2.630 7.131 ( 0.000 -1.060 3.997) 4.136 7.278 ( 0.000 5.060 2.793) 5.780 7.333 ( 0.000 0.584 -9.434) 9.452 7.662 ( 0.000 -2.168 4.732) 5.205 7.720 ( 0.000 -3.848 5.532) 6.738 7.843 ( 0.000 -0.359 0.633) 0.728 7.910 ( 0.000 1.857 6.710) 6.962 8.281 ( 0.000 -5.088 -0.445) 5.107 8.348 ( 0.000 -6.781 3.522) 7.641 8.374 ( 0.000 5.672 -0.534) 5.697 8.483 ( 0.000 -21.265 0.909) 21.285 8.634 ( 0.000 -3.672 1.017) 3.810 8.816 ( 0.000 4.146 -2.012) 4.609 8.891 ( 0.000 -6.052 -4.132) 7.328 9.057 ( 0.000 -1.184 -0.708) 1.379 9.201 ( 0.000 4.360 3.342) 5.493 9.247 ( 0.000 2.276 1.273) 2.608 9.380 ( 0.000 9.884 -1.839) 10.054 9.408 ( 0.000 5.592 4.687) 7.297 9.593 ( 0.000 -2.470 -1.485) 2.882 9.647 ( 0.000 7.274 9.518) 11.979 9.680 ( 0.000 -1.846 -1.865) 2.625 9.950 ( 0.000 0.886 -4.390) 4.479 10.016 ( 0.000 10.671 -3.399) 11.199 10.354 ( 0.000 0.375 -5.013) 5.027 10.380 ( 0.000 1.554 7.561) 7.719 10.421 ( 0.000 0.554 -5.537) 5.564 10.466 ( 0.000 2.722 -1.080) 2.928 10.697 ( 0.000 -0.576 5.515) 5.545 10.702 ( 0.000 3.862 -0.703) 3.925 10.876 ( 0.000 -0.198 5.338) 5.341 11.029 ( 0.000 -11.444 -0.710) 11.466 11.124 ( 0.000 -2.869 -0.536) 2.919 11.379 ( 0.000 5.498 -4.147) 6.887 11.472 ( 0.000 -4.117 -6.851) 7.993 11.574 ( 0.000 -0.766 8.522) 8.556 11.672 ( 0.000 2.852 -2.807) 4.002 11.772 ( 0.000 -6.795 1.294) 6.917 11.793 ( 0.000 -0.086 2.121) 2.123 11.961 ( 0.000 -1.275 3.483) 3.709 12.096 ( 0.000 -4.459 -1.385) 4.669 12.183 ( 0.000 -1.346 -3.185) 3.458 12.237 ( 0.000 3.986 -4.888) 6.307 12.378 ( 0.000 4.128 3.974) 5.730 12.498 ( 0.000 5.658 -3.325) 6.563 12.701 ( 0.000 6.267 2.603) 6.786 12.853 ( 0.000 -0.613 0.954) 1.134 12.884 ( 0.000 0.681 -0.729) 0.998 12.929 ( 0.000 -4.212 -3.970) 5.788 12.951 ( 0.000 0.292 -0.331) 0.441 13.036 ( 0.000 -5.989 -10.880) 12.419 13.068 ( 0.000 -9.616 -1.683) 9.762 13.177 ( 0.000 -4.737 2.429) 5.324 13.393 ( 0.000 -4.420 3.654) 5.735 13.403 ( 0.000 4.139 -0.564) 4.177 13.515 ( 0.000 0.842 4.130) 4.215 13.620 ( 0.000 3.124 7.017) 7.681 13.748 ( 0.000 -1.988 0.549) 2.062 13.768 ( 0.000 1.341 -1.036) 1.694 13.832 ( 0.000 -5.223 -2.193) 5.665 13.872 ( 0.000 -1.699 -2.369) 2.915 14.001 ( 0.000 -0.113 1.644) 1.648 14.022 ( 0.000 0.481 -0.780) 0.916 14.059 ( 0.000 -0.416 6.537) 6.550 14.171 ( 0.000 1.214 -0.217) 1.233 14.261 ( 0.000 4.146 -0.510) 4.177 14.381 ( 0.000 2.992 4.972) 5.803 14.433 ( 0.000 5.712 -1.920) 6.026 14.572 ( 0.000 1.641 -2.893) 3.326 14.638 ( 0.000 2.441 -3.708) 4.439 14.675 ( 0.000 3.857 3.803) 5.416 14.781 ( 0.000 -6.294 -0.740) 6.337 14.870 ( 0.000 -1.023 6.458) 6.539 15.004 ( 0.000 -4.218 0.104) 4.219 15.073 ( 0.000 -3.748 -2.694) 4.615 16.275 ( 0.000 6.054 4.341) 7.450 16.648 ( 0.000 0.292 0.083) 0.303 16.668 ( 0.000 0.445 -2.014) 2.063 16.743 ( 0.000 -2.534 -0.828) 2.666 16.815 ( 0.000 -2.381 3.621) 4.333 16.936 ( 0.000 -0.710 0.308) 0.774 16.945 ( 0.000 -0.774 0.541) 0.944 17.030 ( 0.000 -4.238 3.365) 5.411 17.708 ( 0.000 5.765 -0.831) 5.824 17.953 ( 0.000 15.736 -14.803) 21.604 18.063 ( 0.000 -3.334 -0.204) 3.340 18.165 ( 0.000 0.433 -2.055) 2.100 18.853 ( 0.000 1.682 2.079) 2.674 18.994 ( 0.000 -1.568 0.577) 1.671 19.049 ( 0.000 0.505 -0.708) 0.870 19.125 ( 0.000 -0.956 -2.669) 2.835 22.473 ( 0.000 4.182 0.417) 4.203 22.534 ( 0.000 2.594 -0.335) 2.616 22.742 ( 0.000 -2.742 1.020) 2.926 22.879 ( 0.000 -6.239 -1.342) 6.382 23.354 ( 0.000 0.908 0.654) 1.119 23.410 ( 0.000 -1.479 1.794) 2.325 23.460 ( 0.000 4.051 -1.307) 4.256 23.559 ( 0.000 3.254 -5.927) 6.761 24.300 ( 0.000 1.039 3.123) 3.291 24.302 ( 0.000 -2.258 0.019) 2.258 24.354 ( 0.000 0.149 -0.163) 0.221 24.458 ( 0.000 -13.923 13.205) 19.189 25.050 ( 0.000 4.798 2.448) 5.386 25.275 ( 0.000 1.281 -3.615) 3.835 25.374 ( 0.000 -1.912 -5.076) 5.424 25.426 ( 0.000 -4.136 -1.779) 4.502 26.033 ( 0.000 0.409 6.635) 6.648 26.355 ( 0.000 4.482 -0.533) 4.514 26.372 ( 0.000 -21.794 23.762) 32.243 26.734 ( 0.000 -6.011 1.311) 6.152 26.903 ( 0.000 4.142 -0.255) 4.150 26.962 ( 0.000 2.210 0.365) 2.240 27.149 ( 0.000 -2.022 0.568) 2.100 27.246 ( 0.000 -4.075 -1.025) 4.202 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.14 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 18.033 25.052 6.161) 31.476 1.181 ( 21.380 17.981 20.002) 34.359 2.064 ( 38.155 29.419 24.826) 54.200 2.461 ( 2.244 -14.932 -3.385) 15.475 2.537 ( 2.342 -16.270 5.812) 17.435 2.712 ( -2.212 2.695 -4.877) 5.995 2.790 ( -2.275 1.433 -4.745) 5.454 2.808 ( -0.182 1.448 -6.822) 6.976 2.862 ( 1.483 2.209 -0.708) 2.753 3.018 ( 1.893 -2.416 -3.449) 4.616 3.043 ( -2.232 1.981 0.968) 3.137 3.189 ( 3.347 1.805 -8.441) 9.259 3.252 ( 3.366 -1.497 -3.600) 5.151 3.285 ( -0.198 -1.074 -12.722) 12.769 3.348 ( -2.523 2.077 -1.095) 3.447 3.609 ( 1.253 -1.016 -3.222) 3.603 3.617 ( 0.351 -1.016 -4.371) 4.501 3.827 ( -3.910 -3.114 3.967) 6.381 3.888 ( -0.316 -0.577 -6.990) 7.021 4.000 ( -3.019 1.496 0.849) 3.475 4.105 ( 6.963 -2.568 4.538) 8.699 4.241 ( 1.372 0.411 -3.315) 3.612 4.319 ( -0.834 0.268 -5.175) 5.248 4.386 ( 0.608 5.356 -3.757) 6.570 4.477 ( 5.606 1.900 -1.901) 6.217 4.524 ( -2.075 7.296 2.312) 7.930 4.778 ( -2.919 -2.227 -6.543) 7.503 4.924 ( -6.058 -1.464 -8.043) 10.175 4.993 ( -0.747 0.234 -14.035) 14.057 5.037 ( -13.347 2.630 -3.462) 14.037 5.140 ( -2.978 -2.580 -6.265) 7.401 5.259 ( -6.768 2.797 -1.537) 7.483 5.315 ( -4.531 -4.480 0.540) 6.394 5.366 ( -5.002 -3.531 -2.988) 6.813 5.457 ( -0.409 2.223 -2.856) 3.642 5.523 ( -4.186 -0.954 5.155) 6.709 5.662 ( -1.483 -5.039 4.487) 6.909 5.807 ( -4.414 -4.406 5.179) 8.106 5.885 ( 0.689 -2.529 -3.362) 4.263 5.964 ( 4.930 -4.093 -2.707) 6.956 6.007 ( -2.844 0.918 -4.579) 5.468 6.086 ( 1.899 -5.564 -2.298) 6.313 6.111 ( 8.201 3.007 2.551) 9.099 6.145 ( -3.092 -1.663 4.507) 5.713 6.209 ( 4.820 -0.263 0.670) 4.874 6.288 ( 1.124 -0.853 0.955) 1.704 6.374 ( 4.634 1.289 3.033) 5.686 6.445 ( -0.152 2.109 3.380) 3.987 6.528 ( 7.142 1.688 9.229) 11.791 6.625 ( 12.009 -1.593 -3.040) 12.490 6.804 ( 5.393 0.379 4.409) 6.976 6.874 ( 7.131 2.037 1.363) 7.540 7.105 ( 5.812 0.736 -0.827) 5.917 7.139 ( 2.483 0.393 -2.096) 3.273 7.264 ( 1.070 2.109 2.202) 3.231 7.411 ( 6.176 2.468 -6.005) 8.960 7.669 ( 0.465 -2.453 6.742) 7.190 7.739 ( 1.739 -2.148 6.525) 7.086 7.872 ( 1.084 4.085 4.913) 6.481 7.960 ( 6.422 -3.936 0.431) 7.544 8.291 ( 0.940 -7.442 0.102) 7.501 8.354 ( -0.348 2.586 1.446) 2.983 8.386 ( 1.531 0.555 3.487) 3.849 8.438 ( -3.479 -12.663 0.677) 13.150 8.676 ( 4.061 -7.487 0.325) 8.523 8.809 ( -0.611 1.162 -4.593) 4.777 8.892 ( -0.154 -4.181 -1.482) 4.439 9.035 ( -1.466 -2.277 -0.510) 2.756 9.159 ( -4.759 3.033 4.991) 7.534 9.218 ( -2.943 1.460 1.935) 3.813 9.353 ( -3.370 10.559 -3.489) 11.619 9.369 ( -1.908 1.585 5.586) 6.112 9.513 ( -7.399 4.594 1.649) 8.864 9.587 ( -2.877 1.550 1.329) 3.528 9.655 ( -3.778 1.061 0.327) 3.938 9.919 ( -3.157 2.075 -6.281) 7.330 10.008 ( -0.477 9.366 0.805) 9.413 10.246 ( -6.224 2.533 5.990) 9.002 10.409 ( -0.229 -1.837 -6.503) 6.761 10.462 ( 3.629 2.062 -1.240) 4.354 10.587 ( 9.350 -0.752 -2.056) 9.603 10.668 ( -5.338 -3.454 0.031) 6.358 10.709 ( 1.053 0.192 3.604) 3.760 10.829 ( 2.832 0.770 4.688) 5.531 11.099 ( -1.010 -0.950 -3.503) 3.768 11.140 ( 4.929 -9.416 0.615) 10.646 11.372 ( -0.131 4.465 -3.783) 5.853 11.503 ( -0.998 -1.273 1.160) 1.991 11.586 ( 3.448 2.593 0.882) 4.404 11.619 ( -4.629 1.878 0.347) 5.008 11.777 ( -0.714 -1.557 0.064) 1.714 11.826 ( 3.777 -4.430 0.764) 5.872 11.956 ( -0.608 -0.587 2.867) 2.989 12.082 ( -1.343 -3.473 -1.110) 3.885 12.173 ( -4.493 2.671 -3.566) 6.328 12.193 ( 0.450 -0.326 -2.895) 2.948 12.386 ( -2.985 2.671 2.371) 4.654 12.439 ( -1.573 6.062 1.808) 6.519 12.782 ( 8.293 2.313 1.801) 8.796 12.856 ( -3.128 -1.153 -1.269) 3.566 12.866 ( -0.729 -1.154 0.437) 1.433 12.898 ( -2.799 -1.513 -1.873) 3.692 12.917 ( -3.214 -3.454 -2.638) 5.405 13.043 ( 5.764 -1.796 -5.930) 8.463 13.111 ( 0.525 -4.744 -6.826) 8.329 13.194 ( 1.669 -5.686 0.965) 6.004 13.344 ( -1.368 0.990 -1.490) 2.252 13.452 ( 0.875 1.082 2.857) 3.178 13.552 ( 3.238 0.363 5.215) 6.149 13.619 ( 0.492 2.563 5.857) 6.412 13.730 ( -2.150 1.368 -1.340) 2.879 13.788 ( 1.566 -2.140 -0.629) 2.726 13.832 ( 0.069 -4.085 -0.977) 4.201 13.910 ( -0.547 -3.441 2.257) 4.151 13.958 ( 2.292 0.426 -0.484) 2.381 14.043 ( 1.556 3.515 1.952) 4.311 14.115 ( 3.781 -3.268 1.994) 5.381 14.194 ( 1.176 -0.627 -0.751) 1.530 14.260 ( 0.071 4.804 0.029) 4.805 14.339 ( -3.431 2.708 3.616) 5.673 14.436 ( -0.032 4.513 -2.379) 5.102 14.560 ( -1.753 1.083 -2.102) 2.943 14.625 ( -0.777 3.488 -1.777) 3.991 14.662 ( -0.822 3.425 2.871) 4.544 14.793 ( -0.823 -4.974 1.791) 5.350 14.838 ( -1.390 -1.794 2.641) 3.483 14.980 ( -1.847 -4.901 0.028) 5.238 15.064 ( -1.213 -2.779 -2.161) 3.724 16.289 ( 1.360 5.849 4.416) 7.454 16.630 ( -1.911 0.890 1.119) 2.387 16.727 ( 4.009 -2.532 -3.275) 5.763 16.751 ( 0.563 -3.346 -0.541) 3.436 16.806 ( -0.727 -1.765 2.560) 3.193 16.900 ( -2.801 -0.666 -0.504) 2.923 16.933 ( -0.667 0.995 0.284) 1.231 17.025 ( -1.099 -3.380 2.323) 4.246 17.748 ( 3.872 5.240 -0.684) 6.551 17.913 ( -1.008 14.171 -6.760) 15.733 18.072 ( 0.822 -2.932 -0.313) 3.061 18.164 ( -0.632 0.398 -2.574) 2.680 18.859 ( 0.573 1.473 1.864) 2.444 18.988 ( -0.530 -1.495 0.490) 1.660 19.032 ( -1.516 0.053 -0.331) 1.552 19.100 ( -2.363 -1.011 -2.333) 3.471 22.499 ( 2.536 4.112 0.547) 4.862 22.570 ( 3.606 2.302 -0.389) 4.296 22.738 ( -0.438 -1.926 1.163) 2.292 22.891 ( 0.741 -5.350 -1.650) 5.648 23.363 ( 0.931 0.643 0.528) 1.249 23.405 ( -0.083 -0.432 1.182) 1.261 23.464 ( 0.148 2.492 -0.900) 2.654 23.575 ( 0.637 1.667 -5.632) 5.908 24.265 ( -2.683 -0.272 4.613) 5.344 24.322 ( 1.203 0.337 3.221) 3.455 24.332 ( 0.873 -2.274 2.163) 3.257 24.496 ( 1.458 -8.907 5.215) 10.424 24.981 ( -6.947 6.050 2.782) 9.623 25.033 ( -14.633 8.000 4.915) 17.386 25.317 ( -5.193 -3.025 -4.446) 7.475 25.371 ( -4.920 -3.729 -1.624) 6.384 26.107 ( 5.767 0.159 6.272) 8.522 26.127 ( 1.871 0.500 8.342) 8.564 26.673 ( 1.389 -4.500 0.399) 4.726 26.737 ( -0.638 -4.426 0.499) 4.500 26.949 ( 4.249 3.549 -0.126) 5.537 27.130 ( 8.635 -6.543 -3.177) 11.290 27.204 ( 6.601 -4.194 -2.878) 8.333 27.300 ( 6.540 -7.168 -0.640) 9.724 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.29 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 28.090 14.842 -6.705) 32.470 1.693 ( 28.251 10.291 11.850) 32.318 2.512 ( 3.794 -7.583 -6.689) 10.800 2.601 ( 4.197 -10.947 1.424) 11.810 2.635 ( -4.101 2.300 -5.298) 7.083 2.726 ( 3.375 -0.469 -3.540) 4.913 2.790 ( -1.141 1.328 -3.605) 4.007 2.841 ( 8.726 4.963 4.801) 11.128 2.903 ( 6.249 3.334 4.872) 8.596 2.980 ( 4.373 2.947 1.377) 5.450 3.048 ( 0.814 -2.265 -7.031) 7.432 3.206 ( -0.748 2.076 -0.581) 2.282 3.247 ( -3.037 -2.290 -8.199) 9.038 3.317 ( 5.682 0.964 -14.560) 15.659 3.393 ( 6.565 2.802 -12.278) 14.202 3.643 ( 3.791 -5.385 -6.669) 9.373 3.666 ( -2.040 -0.148 -1.937) 2.817 3.724 ( 0.532 -0.198 -3.210) 3.259 3.951 ( 7.991 3.020 -3.757) 9.332 3.996 ( 3.109 3.957 3.850) 6.336 4.237 ( -0.070 -2.366 2.158) 3.203 4.272 ( 1.513 -3.847 2.328) 4.745 4.354 ( 3.233 -1.380 -2.850) 4.526 4.403 ( 0.857 -5.510 2.133) 5.971 4.512 ( 2.555 2.264 5.271) 6.280 4.584 ( 5.191 -1.647 -1.510) 5.652 4.719 ( -7.191 3.257 2.520) 8.287 4.725 ( -6.749 -4.524 -2.066) 8.383 4.788 ( -6.981 5.677 -0.848) 9.038 4.970 ( -7.056 -0.802 -4.970) 8.668 5.085 ( -2.815 -3.166 -6.184) 7.496 5.100 ( -6.984 2.549 -4.195) 8.536 5.240 ( -5.509 0.675 1.330) 5.708 5.285 ( -4.197 -5.223 1.880) 6.959 5.432 ( -2.037 3.290 -5.804) 6.975 5.478 ( -1.944 2.278 4.989) 5.818 5.570 ( -6.109 -6.876 6.048) 11.008 5.664 ( -6.359 -0.997 -6.584) 9.208 5.789 ( -4.504 2.991 2.999) 6.183 5.866 ( -9.407 -3.936 1.820) 10.359 5.992 ( -5.515 -3.003 5.610) 8.421 6.094 ( -2.357 0.973 4.517) 5.187 6.133 ( 0.013 -4.081 3.889) 5.638 6.211 ( -1.103 1.456 -2.541) 3.129 6.279 ( 6.340 2.227 -3.023) 7.368 6.381 ( 4.928 -1.236 -4.564) 6.830 6.467 ( 11.485 4.199 0.797) 12.255 6.549 ( 7.612 2.344 -2.071) 8.229 6.740 ( 9.005 -0.138 2.542) 9.358 6.761 ( 4.647 2.442 -6.037) 8.000 6.865 ( 1.641 -2.796 -2.098) 3.862 6.963 ( 1.115 0.099 -7.991) 8.069 7.217 ( 6.502 1.770 3.112) 7.422 7.291 ( 9.143 2.314 0.968) 9.481 7.338 ( 7.151 2.489 1.593) 7.737 7.538 ( 4.681 1.732 -0.942) 5.080 7.666 ( -0.379 -2.409 7.941) 8.307 7.782 ( 2.606 0.694 5.651) 6.262 7.910 ( 3.490 6.987 8.737) 11.719 8.098 ( 5.688 -5.901 -2.616) 8.603 8.282 ( -3.529 -0.522 2.575) 4.400 8.319 ( -4.915 -4.416 -1.166) 6.710 8.362 ( 2.083 -0.200 2.436) 3.211 8.485 ( 6.052 1.906 2.555) 6.840 8.736 ( -1.065 -4.861 -3.501) 6.084 8.840 ( 5.250 -3.288 -3.028) 6.895 8.877 ( -2.141 -3.824 0.146) 4.384 8.979 ( -2.876 -1.323 2.714) 4.170 9.082 ( -3.034 0.149 -0.629) 3.102 9.138 ( -2.529 -0.996 7.259) 7.752 9.292 ( -2.449 3.691 -1.918) 4.827 9.328 ( -3.764 -1.362 1.001) 4.126 9.392 ( -3.581 3.179 1.048) 4.902 9.511 ( -4.169 0.545 1.675) 4.526 9.541 ( -7.062 1.167 -0.186) 7.160 9.838 ( -5.502 0.145 -5.791) 7.989 10.004 ( 0.210 7.783 3.916) 8.715 10.139 ( -4.499 3.198 6.750) 8.720 10.368 ( -2.700 -2.313 -3.431) 4.940 10.528 ( -6.999 -6.796 1.536) 9.876 10.553 ( 4.804 2.743 -1.081) 5.636 10.724 ( 0.695 -0.001 2.144) 2.254 10.799 ( 10.159 -1.864 -4.866) 11.417 10.948 ( 7.323 -1.049 2.469) 7.798 11.081 ( -0.059 -1.306 -7.392) 7.507 11.220 ( 3.099 -7.511 0.658) 8.152 11.342 ( -3.388 3.700 -2.085) 5.432 11.482 ( -1.685 -0.781 1.592) 2.446 11.508 ( -4.205 5.710 3.719) 8.008 11.652 ( 1.101 5.131 -1.765) 5.537 11.779 ( 2.155 -2.830 -1.886) 4.026 11.903 ( 3.625 -3.690 -0.248) 5.179 11.939 ( -0.910 0.649 1.361) 1.762 12.046 ( -2.266 -0.966 -0.604) 2.536 12.083 ( -4.150 -1.547 -2.485) 5.078 12.190 ( -1.483 -0.966 -3.639) 4.047 12.355 ( 1.371 4.254 2.650) 5.195 12.432 ( 0.383 6.587 3.193) 7.330 12.695 ( -8.809 -2.280 -1.975) 9.311 12.783 ( -6.689 0.681 -1.848) 6.973 12.848 ( -0.922 -0.967 3.013) 3.296 12.922 ( 2.681 -2.469 0.431) 3.670 13.007 ( 6.731 -0.955 2.548) 7.260 13.109 ( 0.656 -3.406 -4.427) 5.624 13.178 ( 5.700 -0.457 -6.651) 8.771 13.225 ( 2.490 -2.375 -0.730) 3.518 13.325 ( -0.577 1.624 -4.087) 4.436 13.453 ( -0.358 1.159 2.345) 2.640 13.604 ( 1.440 2.200 6.588) 7.093 13.653 ( 2.258 0.144 2.313) 3.235 13.695 ( -0.069 2.257 0.899) 2.431 13.785 ( -0.786 -3.622 -0.398) 3.728 13.815 ( -3.389 -0.983 3.203) 4.765 13.904 ( 3.886 -0.154 0.910) 3.994 14.043 ( 1.212 0.855 -0.511) 1.569 14.111 ( 4.980 -1.626 -1.589) 5.475 14.170 ( 2.384 -2.313 0.077) 3.323 14.191 ( -1.108 -0.022 -0.462) 1.200 14.265 ( -2.150 1.526 3.587) 4.451 14.289 ( 1.442 3.797 0.175) 4.065 14.424 ( -1.135 1.224 -2.250) 2.802 14.506 ( -3.450 1.120 -1.798) 4.048 14.602 ( -1.885 4.113 -0.177) 4.528 14.667 ( 1.733 2.802 1.770) 3.740 14.705 ( -5.716 -2.006 4.629) 7.624 14.862 ( 1.537 -5.528 -2.731) 6.354 14.947 ( -1.417 -4.186 -0.004) 4.419 15.023 ( -2.647 -2.093 -1.725) 3.790 16.327 ( 2.512 5.373 4.677) 7.553 16.568 ( -4.395 2.383 3.185) 5.928 16.749 ( -0.721 -5.104 0.706) 5.203 16.766 ( -0.364 -3.632 -0.324) 3.665 16.810 ( 1.519 0.262 0.112) 1.546 16.881 ( 1.113 0.122 -3.137) 3.330 16.915 ( -1.126 1.199 -0.485) 1.714 16.992 ( -1.926 -1.704 0.480) 2.616 17.848 ( 5.914 4.027 -0.543) 7.176 17.949 ( 3.842 8.065 -2.474) 9.270 18.087 ( 0.468 -1.809 -0.617) 1.967 18.134 ( -2.456 0.712 -1.925) 3.200 18.876 ( 1.200 0.967 1.342) 2.043 18.977 ( -0.507 -1.323 0.211) 1.432 18.994 ( -2.207 -0.300 -0.044) 2.228 19.045 ( -2.931 -1.040 -1.574) 3.486 22.563 ( 3.733 3.765 0.843) 5.369 22.665 ( 5.647 1.438 -0.629) 5.861 22.723 ( -1.149 -0.085 1.378) 1.797 22.894 ( -0.639 -3.565 -1.497) 3.919 23.388 ( 1.460 0.197 0.254) 1.495 23.414 ( 1.134 -0.275 0.364) 1.222 23.461 ( -0.425 1.289 -0.549) 1.464 23.562 ( -1.933 0.539 -3.226) 3.799 24.251 ( 1.390 0.771 4.195) 4.486 24.355 ( 2.135 0.065 2.990) 3.675 24.369 ( 2.361 -3.299 1.300) 4.261 24.492 ( -1.672 -5.098 2.605) 5.964 24.798 ( -7.719 9.643 2.707) 12.645 24.851 ( -7.581 5.207 4.653) 10.307 25.211 ( -4.826 -3.901 -3.848) 7.302 25.261 ( -5.609 -4.235 -1.781) 7.250 26.228 ( 8.076 0.547 4.147) 9.095 26.270 ( 8.462 0.354 3.972) 9.355 26.640 ( -3.317 -0.997 -0.186) 3.468 26.679 ( -4.824 -0.969 0.401) 4.936 27.051 ( 5.671 2.492 -0.066) 6.195 27.205 ( 1.704 -1.313 0.463) 2.200 27.315 ( 4.751 -4.257 -4.316) 7.702 27.433 ( 4.021 -9.111 -4.632) 10.983 ======================= Grid point 45 (20/48) ======================= q-point: ( 0.43 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 25.839 6.840 -11.706) 29.180 2.221 ( 24.002 6.311 4.869) 25.291 2.435 ( -14.242 1.937 -10.325) 17.697 2.545 ( -5.420 1.247 -5.885) 8.097 2.677 ( 1.501 -6.148 -3.135) 7.063 2.722 ( -5.544 -2.592 -0.607) 6.150 2.758 ( 2.108 0.271 -2.568) 3.333 2.818 ( -3.975 2.925 0.035) 4.935 2.855 ( 1.619 -3.280 -0.478) 3.688 2.958 ( -7.349 -3.387 -0.596) 8.114 3.075 ( 2.484 -1.789 -12.027) 12.410 3.151 ( -4.876 -3.122 -10.442) 11.940 3.413 ( 4.018 0.460 -13.881) 14.458 3.485 ( -1.932 0.324 -13.925) 14.063 3.522 ( 10.361 2.270 -13.044) 16.812 3.561 ( 0.555 3.455 -13.300) 13.753 3.834 ( 12.819 -6.608 0.464) 14.430 3.856 ( 11.870 -4.687 4.271) 13.458 4.068 ( -4.309 -3.752 1.820) 5.996 4.088 ( -5.990 -4.309 4.959) 8.891 4.184 ( 0.422 0.475 4.959) 5.000 4.298 ( 8.404 2.393 3.423) 9.385 4.353 ( 1.261 5.592 10.976) 12.383 4.475 ( 8.274 -3.193 0.324) 8.874 4.539 ( -4.637 -4.446 6.612) 9.219 4.592 ( -0.283 0.917 -0.877) 1.300 4.659 ( 5.955 2.547 4.780) 8.049 4.730 ( 1.415 3.676 4.807) 6.215 4.772 ( -1.275 1.469 -2.097) 2.860 4.863 ( -2.323 -2.805 0.021) 3.642 4.908 ( -6.278 4.005 -2.610) 7.891 4.980 ( -4.616 -3.143 4.931) 7.450 5.045 ( -13.471 -2.967 -1.133) 13.841 5.169 ( -18.737 -1.317 4.402) 19.292 5.345 ( 3.133 3.865 -0.270) 4.982 5.405 ( 0.067 1.853 0.710) 1.985 5.519 ( 1.910 4.163 -0.487) 4.606 5.650 ( 4.989 -7.094 -1.274) 8.766 5.735 ( -5.640 -2.212 -1.156) 6.168 5.787 ( -12.596 -4.240 4.594) 14.062 5.902 ( 10.668 1.548 1.357) 10.865 6.052 ( -1.635 3.143 7.641) 8.422 6.075 ( -2.707 0.954 6.086) 6.729 6.139 ( -5.552 2.301 0.520) 6.033 6.463 ( 10.067 1.499 -4.707) 11.214 6.512 ( 6.621 -0.859 -8.322) 10.669 6.599 ( -1.874 2.128 -4.451) 5.278 6.607 ( -1.134 3.246 -6.431) 7.293 6.825 ( 1.803 -0.456 -6.006) 6.288 6.835 ( -0.355 -0.272 -5.449) 5.468 6.890 ( 5.973 -1.953 -6.691) 9.180 6.975 ( -2.323 -3.357 -9.331) 10.185 7.368 ( 8.909 1.840 4.392) 10.102 7.420 ( 5.407 2.236 4.346) 7.288 7.481 ( 0.574 3.753 2.052) 4.316 7.531 ( -4.100 2.228 7.424) 8.769 7.713 ( 7.547 0.627 6.960) 10.285 7.837 ( -0.029 4.529 2.912) 5.385 7.981 ( 3.356 9.714 7.528) 12.740 8.085 ( -7.246 4.684 -0.159) 8.630 8.241 ( 2.313 -5.695 -0.043) 6.147 8.271 ( -1.141 -0.335 0.157) 1.199 8.439 ( 6.601 -1.265 0.548) 6.743 8.613 ( -3.364 -5.353 -1.850) 6.587 8.634 ( 1.191 1.672 1.787) 2.721 8.768 ( -6.706 -0.491 0.479) 6.741 8.923 ( 3.789 -0.673 -0.148) 3.851 9.003 ( -4.028 1.635 -0.282) 4.356 9.080 ( 8.700 -3.576 1.401) 9.510 9.153 ( 3.059 -3.920 3.885) 6.310 9.197 ( -5.664 -2.543 -1.104) 6.306 9.271 ( -4.228 -3.035 1.803) 5.508 9.347 ( -1.095 -0.808 1.724) 2.196 9.386 ( -6.011 0.374 0.931) 6.094 9.528 ( 5.686 -3.736 -1.010) 6.878 9.690 ( -9.117 -4.023 -3.449) 10.545 10.022 ( 1.690 6.698 5.149) 8.615 10.068 ( -2.903 5.166 5.967) 8.409 10.341 ( 0.619 -2.856 -0.516) 2.968 10.400 ( -5.205 -4.589 1.775) 7.163 10.649 ( 4.444 1.933 -0.091) 4.847 10.714 ( -1.931 0.993 1.093) 2.431 10.966 ( 6.338 -1.257 -7.413) 9.834 11.041 ( -0.555 -2.014 -6.990) 7.295 11.138 ( 7.370 -3.719 0.191) 8.257 11.258 ( -0.945 -6.995 0.418) 7.071 11.277 ( -1.125 -0.676 0.080) 1.315 11.343 ( -7.400 0.805 -0.803) 7.487 11.549 ( 3.754 7.329 2.143) 8.508 11.622 ( -3.201 6.724 0.301) 7.453 11.857 ( 4.359 -3.957 -3.446) 6.822 11.916 ( -1.490 -3.068 -0.872) 3.520 11.969 ( 1.980 0.201 0.095) 1.993 12.002 ( -2.188 0.329 -2.172) 3.100 12.032 ( 1.122 -1.815 -1.733) 2.749 12.121 ( -5.288 -0.910 -2.833) 6.068 12.443 ( 6.559 4.580 1.815) 8.203 12.460 ( 3.133 5.442 2.656) 6.818 12.544 ( -5.996 2.017 0.637) 6.358 12.617 ( -9.212 3.749 0.467) 9.957 12.883 ( 3.892 -1.962 2.131) 4.851 12.948 ( -1.026 -2.780 1.452) 3.300 13.070 ( 0.881 -5.129 1.011) 5.301 13.088 ( -1.723 -5.476 -0.694) 5.783 13.243 ( 2.307 3.098 -2.361) 4.527 13.274 ( -0.415 3.717 -2.353) 4.418 13.370 ( 4.722 -0.399 -3.625) 5.966 13.435 ( -1.820 0.400 0.459) 1.919 13.626 ( 1.107 2.753 3.950) 4.940 13.649 ( -1.091 2.406 3.163) 4.121 13.733 ( 0.853 -2.688 1.668) 3.276 13.757 ( -2.051 -1.508 3.333) 4.194 13.835 ( 7.035 0.098 1.166) 7.132 13.984 ( -5.182 0.803 -0.181) 5.247 14.007 ( 4.175 1.506 -1.554) 4.703 14.102 ( -3.862 1.961 -3.878) 5.814 14.188 ( 1.131 0.298 0.717) 1.372 14.219 ( -1.671 -0.629 2.346) 2.949 14.280 ( 5.799 -3.925 0.580) 7.026 14.338 ( 1.588 1.669 -0.657) 2.395 14.396 ( -0.989 -2.572 -0.854) 2.884 14.436 ( -3.416 2.160 -2.286) 4.644 14.567 ( -0.752 3.618 2.199) 4.300 14.600 ( -4.069 0.911 4.751) 6.321 14.741 ( 5.089 -0.185 -1.484) 5.304 14.840 ( -4.089 -3.568 -3.382) 6.395 14.944 ( 1.301 -3.641 -0.530) 3.903 14.977 ( -1.919 -3.485 -1.269) 4.176 16.388 ( 3.713 4.740 4.915) 7.772 16.473 ( -4.823 3.812 4.590) 7.672 16.740 ( -0.001 -4.401 0.800) 4.473 16.749 ( -0.837 -3.856 0.980) 4.066 16.847 ( 1.998 0.910 -0.570) 2.269 16.883 ( -1.611 1.266 -0.487) 2.106 16.920 ( 1.851 -0.649 -3.196) 3.750 16.955 ( -1.794 -0.975 -1.469) 2.515 17.966 ( 5.804 2.671 -0.725) 6.430 18.028 ( 3.539 3.214 -1.504) 5.012 18.068 ( -4.182 1.545 -1.195) 4.616 18.080 ( -1.401 0.173 -1.022) 1.742 18.906 ( 1.896 0.327 0.756) 2.068 18.949 ( -2.345 -0.167 0.284) 2.368 18.974 ( 0.379 -1.112 -0.203) 1.193 18.996 ( -1.883 -1.020 -0.798) 2.286 22.635 ( 3.335 2.975 1.196) 4.626 22.690 ( -2.201 1.673 1.433) 3.114 22.776 ( 5.233 0.092 -0.973) 5.324 22.859 ( -3.022 -1.683 -1.250) 3.678 23.416 ( 1.328 -0.148 -0.025) 1.336 23.436 ( -0.281 -0.103 -0.517) 0.598 23.461 ( 1.685 0.469 -0.070) 1.751 23.512 ( -2.875 0.391 -1.207) 3.143 24.305 ( 3.669 0.413 1.725) 4.076 24.369 ( -1.801 -0.867 0.553) 2.073 24.422 ( 2.692 -4.032 2.955) 5.678 24.456 ( -1.211 -3.757 2.960) 4.934 24.700 ( -2.213 8.645 2.463) 9.258 24.724 ( -4.571 7.205 4.243) 9.529 25.150 ( -1.063 -4.311 -3.394) 5.589 25.172 ( -3.136 -4.538 -2.529) 6.068 26.398 ( 8.691 0.418 2.162) 8.965 26.428 ( 7.457 0.481 2.270) 7.810 26.551 ( -6.083 0.051 0.845) 6.141 26.561 ( -6.644 0.182 0.858) 6.702 27.152 ( 4.272 1.328 -0.012) 4.474 27.209 ( -1.383 0.195 0.240) 1.417 27.401 ( 3.800 -4.576 -3.848) 7.084 27.454 ( -1.282 -6.044 -4.274) 7.512 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 30.438 2.725) 30.560 1.530 ( 0.000 26.984 11.639) 29.387 2.004 ( 0.000 -24.903 0.310) 24.905 2.101 ( 0.000 -23.932 10.459) 26.117 2.412 ( 0.000 36.979 18.145) 41.191 2.800 ( 0.000 3.630 -2.168) 4.229 2.801 ( 0.000 -2.949 -3.638) 4.684 2.852 ( 0.000 3.090 -6.987) 7.640 2.895 ( 0.000 0.800 -5.401) 5.459 2.980 ( 0.000 1.501 -1.984) 2.488 2.983 ( 0.000 -13.108 5.629) 14.266 3.098 ( 0.000 -9.949 -2.103) 10.169 3.213 ( 0.000 5.238 -3.047) 6.059 3.271 ( 0.000 -0.866 -9.574) 9.613 3.441 ( 0.000 3.928 -4.105) 5.682 3.531 ( 0.000 -5.356 -10.386) 11.686 3.692 ( 0.000 6.790 2.382) 7.196 3.822 ( 0.000 -5.347 -2.744) 6.010 3.836 ( 0.000 0.079 3.831) 3.831 3.882 ( 0.000 -5.090 2.606) 5.718 4.143 ( 0.000 3.085 -2.406) 3.913 4.207 ( 0.000 -3.463 -2.305) 4.160 4.402 ( 0.000 2.781 -4.666) 5.432 4.421 ( 0.000 1.113 -1.923) 2.222 4.616 ( 0.000 9.833 -10.851) 14.643 4.753 ( 0.000 11.552 -10.550) 15.645 4.762 ( 0.000 -5.975 -12.934) 14.248 4.910 ( 0.000 3.138 -7.734) 8.346 4.979 ( 0.000 -9.905 -15.520) 18.411 5.014 ( 0.000 -7.753 -1.817) 7.963 5.274 ( 0.000 2.418 -1.898) 3.074 5.304 ( 0.000 0.752 -0.007) 0.752 5.356 ( 0.000 -1.838 4.132) 4.522 5.357 ( 0.000 -1.836 4.629) 4.980 5.503 ( 0.000 5.468 0.705) 5.513 5.635 ( 0.000 -6.278 -4.081) 7.488 5.700 ( 0.000 2.291 1.045) 2.518 5.743 ( 0.000 -1.361 0.237) 1.382 5.780 ( 0.000 0.407 4.648) 4.666 5.823 ( 0.000 -3.860 0.809) 3.944 5.906 ( 0.000 -3.086 -7.349) 7.970 5.942 ( 0.000 -5.590 -4.419) 7.126 6.122 ( 0.000 0.484 1.464) 1.542 6.152 ( 0.000 -2.718 5.074) 5.757 6.169 ( 0.000 3.226 -2.840) 4.298 6.204 ( 0.000 0.425 6.446) 6.460 6.234 ( 0.000 -0.861 -0.051) 0.862 6.250 ( 0.000 -1.930 6.489) 6.770 6.549 ( 0.000 1.687 11.331) 11.456 6.561 ( 0.000 0.059 10.668) 10.668 6.873 ( 0.000 8.922 4.852) 10.156 6.993 ( 0.000 9.318 1.787) 9.487 7.014 ( 0.000 -4.458 2.619) 5.171 7.105 ( 0.000 -2.136 0.389) 2.171 7.350 ( 0.000 1.053 -5.860) 5.953 7.351 ( 0.000 1.874 -0.303) 1.898 7.629 ( 0.000 -0.558 3.313) 3.360 7.652 ( 0.000 -2.836 3.899) 4.822 7.833 ( 0.000 2.031 -1.345) 2.436 7.996 ( 0.000 -15.145 -2.092) 15.289 7.997 ( 0.000 6.463 6.413) 9.104 8.166 ( 0.000 -11.724 4.225) 12.462 8.393 ( 0.000 5.208 4.385) 6.808 8.494 ( 0.000 -0.028 -1.379) 1.379 8.553 ( 0.000 2.715 4.012) 4.844 8.728 ( 0.000 -10.096 -0.836) 10.131 8.915 ( 0.000 5.355 -1.598) 5.588 9.005 ( 0.000 -3.816 -0.502) 3.849 9.280 ( 0.000 2.672 4.159) 4.943 9.286 ( 0.000 1.570 2.230) 2.727 9.458 ( 0.000 3.725 3.212) 4.919 9.529 ( 0.000 -3.794 0.471) 3.823 9.571 ( 0.000 5.606 -2.895) 6.309 9.641 ( 0.000 -2.421 -3.409) 4.182 9.850 ( 0.000 9.705 2.048) 9.918 9.953 ( 0.000 -1.501 -2.547) 2.957 10.244 ( 0.000 10.456 -5.000) 11.590 10.349 ( 0.000 -1.472 -4.641) 4.869 10.435 ( 0.000 1.077 -4.022) 4.164 10.447 ( 0.000 2.731 1.290) 3.020 10.501 ( 0.000 4.600 0.255) 4.607 10.677 ( 0.000 -4.221 2.531) 4.922 10.755 ( 0.000 -0.178 0.448) 0.483 10.782 ( 0.000 -9.856 2.273) 10.115 10.915 ( 0.000 5.636 6.246) 8.413 11.042 ( 0.000 -6.015 2.051) 6.355 11.412 ( 0.000 -1.498 -5.487) 5.688 11.416 ( 0.000 -0.944 -6.994) 7.058 11.631 ( 0.000 5.393 4.615) 7.098 11.724 ( 0.000 2.020 -0.555) 2.095 11.727 ( 0.000 1.121 4.903) 5.030 11.743 ( 0.000 -5.106 2.529) 5.698 11.953 ( 0.000 0.622 2.820) 2.888 11.998 ( 0.000 -4.393 0.563) 4.429 12.168 ( 0.000 0.582 -3.169) 3.222 12.216 ( 0.000 -3.619 -4.025) 5.413 12.480 ( 0.000 5.611 1.357) 5.773 12.550 ( 0.000 -0.726 -1.734) 1.880 12.829 ( 0.000 3.885 -3.192) 5.028 12.853 ( 0.000 0.916 -2.968) 3.106 12.871 ( 0.000 -0.445 -1.134) 1.218 12.882 ( 0.000 -3.427 -2.933) 4.511 12.938 ( 0.000 1.542 1.696) 2.292 12.938 ( 0.000 -2.841 -6.003) 6.641 12.964 ( 0.000 -1.088 -0.166) 1.100 13.048 ( 0.000 -7.168 2.510) 7.595 13.380 ( 0.000 2.103 1.019) 2.337 13.425 ( 0.000 -1.445 -0.541) 1.543 13.567 ( 0.000 4.648 4.017) 6.144 13.679 ( 0.000 -5.925 2.517) 6.437 13.680 ( 0.000 2.877 3.495) 4.527 13.733 ( 0.000 -3.340 -0.738) 3.420 13.812 ( 0.000 2.871 1.202) 3.112 13.853 ( 0.000 -0.994 0.894) 1.337 13.968 ( 0.000 -1.579 -0.415) 1.633 13.980 ( 0.000 -2.854 0.807) 2.966 14.142 ( 0.000 5.884 2.469) 6.381 14.210 ( 0.000 -0.090 -1.932) 1.934 14.359 ( 0.000 6.106 -0.938) 6.177 14.446 ( 0.000 -2.575 1.443) 2.952 14.448 ( 0.000 4.453 4.123) 6.068 14.575 ( 0.000 -6.454 -1.081) 6.544 14.691 ( 0.000 2.119 -1.599) 2.655 14.698 ( 0.000 0.469 -0.768) 0.900 14.759 ( 0.000 5.795 0.806) 5.851 14.855 ( 0.000 -1.458 3.184) 3.502 14.917 ( 0.000 -2.653 0.058) 2.654 14.976 ( 0.000 -5.687 -0.459) 5.706 16.423 ( 0.000 8.714 2.440) 9.050 16.587 ( 0.000 -7.442 -0.094) 7.443 16.679 ( 0.000 0.634 -1.443) 1.576 16.692 ( 0.000 -1.004 -0.138) 1.013 16.822 ( 0.000 2.417 2.421) 3.421 16.882 ( 0.000 -3.430 1.156) 3.619 16.961 ( 0.000 1.159 0.659) 1.333 16.985 ( 0.000 -1.430 1.302) 1.934 17.840 ( 0.000 7.325 -0.068) 7.325 17.971 ( 0.000 -6.027 0.100) 6.027 18.126 ( 0.000 4.330 -7.705) 8.839 18.167 ( 0.000 -0.566 -3.606) 3.651 18.896 ( 0.000 2.722 1.513) 3.114 18.951 ( 0.000 -2.732 1.008) 2.912 19.069 ( 0.000 1.503 -1.798) 2.343 19.100 ( 0.000 -1.569 -2.400) 2.867 22.584 ( 0.000 6.836 0.102) 6.837 22.598 ( 0.000 4.165 0.450) 4.189 22.674 ( 0.000 -4.074 0.819) 4.155 22.736 ( 0.000 -8.100 -0.428) 8.111 23.375 ( 0.000 1.081 0.619) 1.245 23.392 ( 0.000 -0.742 0.947) 1.203 23.539 ( 0.000 3.652 -3.524) 5.075 23.584 ( 0.000 -0.716 -6.095) 6.137 24.266 ( 0.000 -0.960 3.944) 4.060 24.289 ( 0.000 -4.138 10.441) 11.231 24.325 ( 0.000 1.371 2.257) 2.641 24.347 ( 0.000 -0.836 1.118) 1.396 25.170 ( 0.000 7.283 0.063) 7.283 25.292 ( 0.000 -0.886 -4.579) 4.664 25.322 ( 0.000 -4.817 -2.066) 5.242 25.334 ( 0.000 -2.015 -5.048) 5.435 26.053 ( 0.000 2.012 9.743) 9.948 26.128 ( 0.000 -6.587 15.741) 17.063 26.468 ( 0.000 6.861 -0.445) 6.875 26.605 ( 0.000 -7.173 0.134) 7.175 27.006 ( 0.000 6.180 -0.482) 6.199 27.028 ( 0.000 4.149 -0.072) 4.150 27.095 ( 0.000 -3.484 0.043) 3.484 27.140 ( 0.000 -6.495 -0.622) 6.525 ======================= Grid point 50 (22/48) ======================= q-point: ( 0.14 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 13.092 27.707 -0.449) 30.648 1.626 ( 11.412 24.940 11.492) 29.737 2.076 ( 7.380 -22.564 -1.803) 23.809 2.146 ( 5.138 -23.034 8.953) 25.241 2.649 ( 17.127 22.912 8.967) 29.978 2.772 ( -2.818 1.759 -2.572) 4.201 2.805 ( 2.716 4.818 1.553) 5.745 2.870 ( 0.243 3.944 -6.868) 7.923 2.909 ( 1.467 2.078 -2.961) 3.903 2.967 ( -0.630 -1.659 -2.783) 3.300 3.012 ( -1.633 -4.201 -2.599) 5.203 3.110 ( 5.227 -12.505 4.546) 14.296 3.262 ( 3.895 3.328 -4.956) 7.128 3.296 ( 2.296 0.306 -13.613) 13.809 3.411 ( -2.262 4.255 -4.970) 6.922 3.508 ( -1.698 -5.655 -9.145) 10.886 3.672 ( -1.237 3.685 1.980) 4.363 3.754 ( -3.876 -4.292 1.795) 6.056 3.887 ( 3.644 1.011 -3.334) 5.042 3.946 ( 6.742 -4.839 3.897) 9.168 4.133 ( -0.109 3.995 -3.033) 5.017 4.206 ( 0.259 -3.249 -2.912) 4.371 4.351 ( -2.622 3.161 -4.082) 5.790 4.421 ( -3.129 -2.859 -2.380) 4.861 4.568 ( -3.505 8.224 -4.536) 10.025 4.700 ( -1.311 6.817 -1.510) 7.104 4.724 ( -6.304 -2.384 -4.810) 8.280 4.845 ( -8.131 -4.776 -9.318) 13.257 4.963 ( 1.291 -0.335 -11.899) 11.974 5.050 ( 1.952 -8.484 -4.887) 9.983 5.158 ( -9.034 3.466 3.600) 10.323 5.190 ( -9.474 -1.578 -1.320) 9.695 5.262 ( -4.726 2.264 -6.404) 8.275 5.382 ( -7.782 -4.047 -1.582) 8.913 5.458 ( 0.419 2.705 -0.654) 2.815 5.516 ( -3.528 -1.071 2.281) 4.335 5.642 ( -3.012 2.908 6.999) 8.156 5.728 ( -4.146 -3.288 2.079) 5.685 5.822 ( 5.037 -2.430 3.048) 6.369 5.862 ( 1.895 -4.678 0.997) 5.145 5.991 ( 2.580 -1.567 -6.830) 7.467 6.005 ( 4.756 -2.641 -7.199) 9.024 6.128 ( -2.890 0.471 6.901) 7.496 6.143 ( -0.998 -0.486 7.454) 7.536 6.230 ( 7.855 2.353 -3.314) 8.844 6.269 ( 7.955 -1.131 -4.109) 9.025 6.423 ( 8.929 2.769 2.949) 9.802 6.466 ( 3.706 -0.915 4.683) 6.042 6.551 ( 6.213 0.675 10.282) 12.032 6.567 ( 11.331 -1.867 6.596) 13.243 6.884 ( -0.384 5.591 1.537) 5.812 6.939 ( -1.390 1.497 -2.319) 3.090 7.120 ( 6.862 1.105 3.330) 7.707 7.139 ( 5.206 -0.615 1.500) 5.453 7.336 ( 2.210 6.273 -2.963) 7.281 7.436 ( 6.050 -1.446 -5.421) 8.251 7.640 ( 0.703 0.011 4.965) 5.014 7.686 ( 2.852 -3.717 5.137) 6.952 7.888 ( 5.126 0.951 -2.341) 5.714 7.981 ( 0.443 1.595 3.891) 4.228 8.058 ( 4.259 -8.588 0.874) 9.626 8.170 ( 0.733 -10.730 4.746) 11.756 8.426 ( 3.020 5.157 4.041) 7.214 8.499 ( 0.221 4.301 -1.138) 4.455 8.572 ( 2.390 -1.740 4.753) 5.598 8.716 ( -1.109 -9.515 -0.102) 9.580 8.908 ( -0.777 4.418 -0.570) 4.522 8.985 ( -1.565 -3.268 -0.175) 3.628 9.238 ( -4.341 3.937 3.570) 6.862 9.260 ( -2.525 1.820 2.935) 4.278 9.400 ( -5.461 1.265 4.001) 6.887 9.428 ( -8.301 -1.309 0.261) 8.408 9.562 ( -2.228 2.851 -2.998) 4.699 9.606 ( -3.244 -1.405 -3.498) 4.973 9.785 ( -6.530 9.823 0.589) 11.810 9.916 ( -4.263 -3.133 -3.320) 6.245 10.215 ( -2.286 10.190 -2.771) 10.805 10.324 ( -5.662 3.584 1.126) 6.795 10.362 ( -1.463 -0.932 -2.342) 2.915 10.493 ( -2.550 -5.017 -3.082) 6.416 10.522 ( 2.956 0.354 -0.421) 3.007 10.590 ( -0.364 -4.387 2.629) 5.127 10.763 ( 2.779 5.460 1.629) 6.339 10.873 ( 4.267 -0.512 -0.152) 4.300 10.968 ( 2.877 -3.523 3.824) 5.943 11.043 ( 1.235 -5.075 -0.549) 5.252 11.421 ( 1.669 2.315 -4.293) 5.155 11.481 ( 2.395 -3.002 -6.299) 7.377 11.637 ( 1.006 4.069 2.186) 4.727 11.688 ( -2.432 3.364 2.325) 4.758 11.735 ( -0.145 -1.828 0.592) 1.926 11.758 ( 2.268 -3.219 4.122) 5.701 11.957 ( 0.224 0.684 3.222) 3.302 11.996 ( -0.239 -3.880 0.943) 4.001 12.166 ( -0.898 0.126 -4.084) 4.184 12.193 ( -1.956 -1.748 -3.587) 4.444 12.462 ( -2.242 4.367 0.978) 5.005 12.510 ( -0.954 0.369 0.986) 1.420 12.787 ( -4.591 -0.510 -4.021) 6.124 12.818 ( -2.594 -3.179 -3.736) 5.549 12.897 ( 1.374 4.210 2.253) 4.968 12.902 ( -0.063 2.289 -2.306) 3.250 12.926 ( 2.152 3.215 2.772) 4.759 12.974 ( 2.705 -5.189 -4.556) 7.416 13.029 ( 4.358 -2.670 -3.897) 6.427 13.069 ( 3.543 -6.170 1.203) 7.216 13.378 ( -0.062 3.047 -0.533) 3.094 13.442 ( 0.690 -2.588 1.165) 2.921 13.603 ( 3.269 4.461 3.312) 6.447 13.660 ( -0.163 0.849 2.862) 2.990 13.724 ( 0.806 -1.899 0.050) 2.064 13.736 ( 2.384 -4.468 1.545) 5.295 13.790 ( -1.815 2.705 1.480) 3.578 13.850 ( -1.531 -3.135 2.557) 4.325 13.976 ( 3.124 1.862 -0.482) 3.669 14.036 ( 3.705 -4.107 -0.081) 5.532 14.143 ( 0.067 5.472 2.369) 5.964 14.208 ( -0.278 -0.548 -1.305) 1.443 14.359 ( -0.451 5.132 -0.193) 5.156 14.414 ( -2.063 4.309 1.728) 5.080 14.441 ( -1.439 -0.976 2.458) 3.011 14.575 ( -0.309 -8.206 0.187) 8.214 14.638 ( -2.895 5.026 -2.751) 6.419 14.707 ( -1.252 -0.859 -0.420) 1.576 14.770 ( 1.049 3.458 -0.090) 3.615 14.813 ( -3.513 -0.960 3.142) 4.810 14.903 ( -0.986 -0.961 0.235) 1.397 14.976 ( -0.483 -5.800 -1.227) 5.949 16.432 ( 0.906 8.435 2.577) 8.867 16.589 ( 0.213 -6.839 0.062) 6.843 16.691 ( -0.575 -0.309 0.842) 1.065 16.699 ( 1.379 -0.762 -1.277) 2.028 16.813 ( -0.424 1.959 1.645) 2.593 16.864 ( -1.286 -2.787 0.570) 3.122 16.954 ( -0.605 1.197 0.330) 1.381 16.980 ( -0.617 -1.599 0.974) 1.971 17.869 ( 2.812 6.741 -0.107) 7.305 17.989 ( 1.709 -5.447 -0.054) 5.709 18.103 ( -1.542 5.730 -5.495) 8.087 18.162 ( -0.709 -1.076 -3.524) 3.752 18.898 ( 0.135 2.478 1.336) 2.819 18.948 ( -0.276 -2.541 0.855) 2.695 19.045 ( -2.174 1.263 -1.196) 2.785 19.074 ( -2.413 -1.600 -1.958) 3.495 22.609 ( 2.345 6.925 0.199) 7.315 22.626 ( 2.743 3.403 0.400) 4.390 22.688 ( 1.308 -3.118 0.894) 3.497 22.757 ( 1.864 -7.882 -0.492) 8.114 23.379 ( 0.508 0.884 0.454) 1.116 23.394 ( 0.254 -0.633 0.669) 0.956 23.531 ( -0.849 3.574 -3.273) 4.920 23.580 ( -0.634 -1.293 -5.414) 5.603 24.257 ( -0.555 -0.043 5.403) 5.432 24.279 ( 0.469 -2.414 5.242) 5.790 24.344 ( 1.544 1.828 2.472) 3.440 24.389 ( 2.464 -3.151 2.409) 4.670 25.105 ( -5.864 6.969 0.554) 9.125 25.167 ( -10.286 5.588 -1.383) 11.787 25.235 ( -6.687 -5.294 -2.363) 8.850 25.277 ( -5.841 -5.462 -1.906) 8.221 26.115 ( 5.607 0.644 8.216) 9.968 26.127 ( 3.685 -0.476 9.535) 10.234 26.605 ( 5.834 -1.118 -1.069) 6.036 26.640 ( 2.516 -4.193 -0.998) 4.991 27.044 ( 3.425 6.051 -0.354) 6.962 27.085 ( 5.709 1.297 -1.327) 6.003 27.140 ( 4.211 -3.088 -0.337) 5.233 27.175 ( 3.608 -6.581 -0.336) 7.513 ======================= Grid point 51 (23/48) ======================= q-point: ( 0.29 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 18.100 21.141 -3.876) 28.100 1.975 ( 21.720 17.305 5.726) 28.355 2.254 ( 9.812 -18.311 -4.566) 21.270 2.326 ( 12.657 -16.493 3.483) 21.080 2.676 ( -6.762 1.542 -4.131) 8.072 2.703 ( -3.214 -1.454 -3.221) 4.777 2.841 ( -2.429 3.608 -4.243) 6.076 2.914 ( -3.455 -3.136 -3.198) 5.657 2.919 ( -0.875 4.052 -2.697) 4.946 2.994 ( 0.715 -2.982 -3.179) 4.417 3.068 ( 3.623 5.632 2.454) 7.132 3.172 ( -3.145 -4.778 -5.728) 8.095 3.314 ( 7.804 5.773 -4.747) 10.806 3.352 ( 4.710 1.594 -14.999) 15.801 3.454 ( 6.440 3.386 -9.711) 12.134 3.531 ( 4.458 -5.309 -6.851) 9.746 3.669 ( -0.501 0.156 -1.444) 1.536 3.693 ( -0.353 -2.298 -3.644) 4.323 4.026 ( 8.626 4.606 4.303) 10.684 4.077 ( 4.399 2.036 3.939) 6.246 4.193 ( 3.163 -0.351 -1.447) 3.496 4.224 ( 0.715 -1.247 -3.747) 4.013 4.308 ( -0.579 -1.842 -0.035) 1.931 4.329 ( 0.415 -3.141 2.519) 4.048 4.546 ( 0.878 -0.880 -1.562) 1.997 4.570 ( -4.880 -1.165 1.336) 5.192 4.684 ( 0.437 6.221 4.979) 7.980 4.785 ( -1.023 1.276 -2.495) 2.983 4.878 ( -7.766 4.168 -5.402) 10.337 4.963 ( -9.299 0.053 -2.024) 9.517 4.998 ( -5.095 -5.745 3.609) 8.485 5.042 ( -5.821 -11.660 -5.640) 14.200 5.171 ( -7.485 1.465 2.399) 7.995 5.228 ( -8.304 -2.988 -0.949) 8.876 5.450 ( -1.594 0.776 1.835) 2.551 5.484 ( 0.238 -1.977 2.571) 3.252 5.600 ( -2.363 7.841 1.284) 8.289 5.695 ( 2.798 1.197 -4.314) 5.279 5.810 ( -8.192 -0.213 -0.571) 8.215 5.830 ( -4.592 -0.581 1.424) 4.842 5.938 ( -5.995 -0.612 6.200) 8.646 6.014 ( 0.154 -7.080 5.908) 9.222 6.147 ( 2.175 3.288 2.324) 4.576 6.200 ( 1.822 -2.079 -0.896) 2.905 6.325 ( 3.033 2.542 -0.901) 4.058 6.361 ( 1.383 -1.061 -1.223) 2.129 6.544 ( 11.348 3.087 1.375) 11.840 6.578 ( 10.241 -0.059 0.351) 10.247 6.740 ( 6.037 0.672 2.074) 6.419 6.772 ( 4.345 -1.978 -0.970) 4.871 6.866 ( -0.709 3.314 -5.902) 6.805 6.933 ( -0.337 -2.906 -8.664) 9.145 7.264 ( 7.724 2.507 2.673) 8.549 7.300 ( 8.556 -1.049 0.723) 8.650 7.483 ( 12.085 10.306 -1.100) 15.921 7.564 ( 4.253 0.291 -1.499) 4.519 7.651 ( 1.271 2.010 6.048) 6.499 7.779 ( 8.731 -4.439 3.086) 10.269 7.983 ( 3.893 -1.795 -1.913) 4.694 8.038 ( 5.079 3.338 3.899) 7.221 8.138 ( 3.080 -7.302 -0.443) 7.937 8.210 ( 3.261 -6.333 5.776) 9.170 8.443 ( -2.421 6.642 2.852) 7.623 8.538 ( 3.059 1.286 0.766) 3.405 8.630 ( 1.708 -3.129 4.830) 6.003 8.719 ( 3.893 -8.099 3.086) 9.501 8.897 ( 0.137 3.753 -0.768) 3.833 8.961 ( -0.646 -2.129 -0.210) 2.235 9.115 ( -7.411 5.774 4.105) 10.252 9.189 ( -5.044 4.488 2.795) 7.308 9.255 ( -7.968 -6.102 2.545) 10.354 9.280 ( -5.746 -3.781 2.237) 7.233 9.486 ( -5.016 3.098 -3.364) 6.788 9.513 ( -5.834 -0.566 -2.054) 6.211 9.609 ( -10.497 7.933 -0.895) 13.188 9.776 ( -9.756 -6.962 -4.087) 12.663 10.172 ( -1.610 8.632 0.826) 8.819 10.235 ( -3.258 5.855 3.358) 7.495 10.308 ( -3.055 -3.933 -0.648) 5.023 10.379 ( -5.517 -8.026 2.121) 9.968 10.614 ( 5.608 3.701 -1.115) 6.811 10.697 ( 7.122 -4.301 -2.310) 8.634 10.805 ( 1.577 5.236 -0.129) 5.470 10.956 ( 1.792 -8.252 -2.804) 8.898 10.999 ( 3.635 4.123 -0.291) 5.504 11.106 ( 4.252 -5.367 -1.669) 7.048 11.410 ( -4.249 3.121 -4.321) 6.817 11.452 ( -4.393 -1.513 -3.685) 5.931 11.642 ( 0.290 5.616 2.522) 6.164 11.704 ( 3.607 -1.123 -1.382) 4.023 11.738 ( 0.172 1.308 1.664) 2.123 11.811 ( 2.455 -4.996 2.385) 6.056 11.959 ( 0.176 0.792 2.767) 2.884 11.987 ( -0.489 -2.766 0.825) 2.928 12.106 ( -4.160 2.557 -3.970) 6.293 12.158 ( -2.380 -2.393 -2.897) 4.448 12.458 ( 2.585 5.752 1.606) 6.507 12.523 ( 1.831 0.683 1.653) 2.559 12.691 ( -4.561 2.382 -2.282) 5.629 12.763 ( -3.414 -3.524 -2.453) 5.486 12.854 ( -1.799 3.428 2.492) 4.604 12.910 ( -0.553 1.475 -0.082) 1.577 12.964 ( 0.387 -3.769 2.928) 4.788 13.006 ( -0.336 -5.984 -1.937) 6.299 13.170 ( 9.284 -0.008 -4.828) 10.464 13.186 ( 7.138 -1.351 -1.317) 7.383 13.374 ( -0.403 3.508 -1.906) 4.013 13.442 ( -0.508 -2.651 1.011) 2.883 13.655 ( 0.734 1.981 1.459) 2.567 13.663 ( 0.396 0.517 2.374) 2.462 13.738 ( -1.877 0.542 1.765) 2.633 13.757 ( 3.672 3.512 2.756) 5.780 13.781 ( -2.132 -2.234 1.971) 3.663 13.854 ( 5.717 -4.703 1.952) 7.657 14.065 ( 4.690 1.279 -1.075) 4.979 14.105 ( 2.197 -1.866 -1.896) 3.450 14.144 ( 0.626 3.015 3.438) 4.616 14.196 ( -0.964 -0.953 -0.303) 1.389 14.314 ( -3.985 3.454 1.629) 5.520 14.385 ( -3.331 -3.353 0.368) 4.740 14.404 ( 0.293 7.243 1.384) 7.380 14.550 ( -2.046 -3.700 1.244) 4.408 14.589 ( -2.236 0.294 -2.548) 3.402 14.655 ( -3.789 -2.182 -0.129) 4.375 14.757 ( -0.872 3.826 2.255) 4.526 14.795 ( 1.128 -0.566 -1.625) 2.057 14.883 ( -1.095 -0.812 -0.628) 1.501 14.948 ( -2.322 -5.167 -1.875) 5.967 16.458 ( 1.793 7.716 2.937) 8.449 16.593 ( 0.056 -3.797 0.592) 3.843 16.655 ( -2.663 -0.450 2.944) 3.995 16.702 ( -1.346 -3.104 0.589) 3.434 16.826 ( 1.737 1.441 -0.307) 2.278 16.861 ( 1.199 -1.911 -1.344) 2.626 16.937 ( -1.141 1.161 -0.269) 1.650 16.961 ( -1.235 -1.375 -0.025) 1.848 17.941 ( 4.284 5.196 -0.309) 6.741 18.031 ( 2.317 -3.798 -0.446) 4.471 18.086 ( -0.185 4.973 -3.027) 5.825 18.138 ( -1.685 -0.771 -2.508) 3.119 18.903 ( 0.494 1.852 0.915) 2.124 18.942 ( -0.143 -2.080 0.495) 2.143 18.997 ( -2.496 0.699 -0.493) 2.639 19.019 ( -2.836 -1.451 -1.150) 3.387 22.663 ( 2.908 6.342 0.487) 6.994 22.695 ( 3.933 1.492 0.287) 4.216 22.716 ( 1.339 -0.663 1.007) 1.802 22.793 ( 1.380 -6.552 -0.332) 6.704 23.396 ( 1.202 0.571 0.041) 1.331 23.407 ( 1.275 -0.475 -0.106) 1.364 23.506 ( -1.679 2.875 -2.550) 4.194 23.553 ( -2.156 -1.638 -3.740) 4.617 24.269 ( 1.834 1.229 3.980) 4.552 24.305 ( 2.025 -2.698 3.385) 4.778 24.371 ( 0.928 1.581 2.386) 3.008 24.416 ( 0.091 -3.067 2.161) 3.753 24.970 ( -7.221 7.498 0.920) 10.450 24.985 ( -7.027 8.873 1.222) 11.384 25.107 ( -5.649 -6.591 -1.995) 8.907 25.147 ( -6.453 -7.474 -0.480) 9.886 26.247 ( 8.167 1.278 5.096) 9.711 26.268 ( 8.439 -0.668 5.015) 9.840 26.628 ( -1.763 0.079 -1.067) 2.062 26.648 ( -2.459 -1.816 -0.706) 3.137 27.125 ( 4.406 4.942 -0.552) 6.644 27.194 ( 4.174 0.552 -1.416) 4.442 27.223 ( 4.021 -4.283 -2.115) 6.244 27.274 ( 4.919 -6.780 -1.613) 8.530 ======================= Grid point 52 (24/48) ======================= q-point: ( 0.43 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 17.521 11.435 -6.845) 22.014 2.397 ( 18.248 10.433 -0.953) 21.042 2.442 ( 8.699 -11.531 -6.521) 15.848 2.499 ( -8.138 5.036 -5.070) 10.831 2.555 ( 1.796 -5.900 -4.473) 7.619 2.658 ( 4.478 -9.232 -1.636) 10.390 2.742 ( -10.694 4.264 -2.361) 11.753 2.825 ( -6.388 -3.312 -2.616) 7.656 2.896 ( -0.532 6.047 -3.156) 6.842 2.942 ( -5.973 3.244 -4.204) 7.992 3.012 ( -0.167 -4.543 -5.409) 7.066 3.056 ( -5.216 -6.447 -9.093) 12.307 3.457 ( 4.597 3.917 -13.839) 15.100 3.516 ( 1.755 1.850 -11.539) 11.818 3.534 ( 4.245 -0.884 -14.719) 15.345 3.585 ( -0.156 -2.103 -13.534) 13.698 3.741 ( 10.797 -0.994 1.596) 10.959 3.778 ( 8.958 -3.475 1.933) 9.801 3.973 ( -10.704 -2.187 1.892) 11.088 4.000 ( -11.026 -3.955 1.076) 11.764 4.251 ( 6.524 4.102 4.412) 8.880 4.319 ( 6.392 -2.056 5.521) 8.692 4.380 ( -1.720 1.176 2.863) 3.541 4.423 ( 1.076 -2.803 8.076) 8.616 4.544 ( 5.653 3.161 -0.478) 6.495 4.635 ( 5.115 -4.823 -1.996) 7.309 4.660 ( -3.267 4.248 -0.873) 5.430 4.788 ( -7.401 -7.265 -4.025) 11.125 4.795 ( 0.173 4.554 -2.142) 5.036 4.848 ( 7.945 6.804 6.358) 12.241 4.919 ( 0.215 -1.588 -0.462) 1.668 4.959 ( -6.093 6.774 6.700) 11.310 4.987 ( -6.869 -2.857 4.746) 8.825 5.204 ( 12.844 -13.406 7.990) 20.212 5.311 ( -17.847 9.499 8.324) 21.864 5.456 ( -4.065 -1.130 -0.803) 4.295 5.572 ( 0.974 0.755 0.289) 1.266 5.626 ( -5.370 4.596 -1.131) 7.158 5.666 ( -6.520 -5.248 3.373) 9.024 5.709 ( -7.107 -2.540 0.427) 7.560 5.963 ( 8.675 4.783 2.422) 10.198 6.049 ( 2.413 -2.546 5.209) 6.280 6.114 ( -3.352 1.232 4.359) 5.635 6.140 ( -4.620 -1.226 1.327) 4.960 6.487 ( 10.367 0.848 -3.718) 11.046 6.498 ( 9.520 -0.487 -5.044) 10.785 6.642 ( -3.651 1.855 -2.620) 4.861 6.654 ( -3.956 0.900 -3.963) 5.672 6.812 ( 3.264 0.449 -3.589) 4.872 6.845 ( 4.355 -2.404 -4.708) 6.849 6.856 ( -0.696 1.701 -8.380) 8.579 6.905 ( -2.285 -3.380 -9.319) 10.173 7.420 ( 7.857 2.809 2.832) 8.812 7.447 ( 6.635 0.272 2.589) 7.127 7.545 ( -3.815 2.013 2.403) 4.938 7.562 ( -4.005 0.337 5.130) 6.517 7.836 ( 13.293 11.425 0.934) 17.553 7.965 ( 3.080 7.616 -1.557) 8.362 8.064 ( 4.822 -6.949 -2.926) 8.949 8.122 ( 0.720 -5.708 -2.629) 6.326 8.181 ( 5.023 7.588 8.962) 12.772 8.278 ( 2.041 -0.907 2.493) 3.347 8.373 ( -2.466 -0.455 5.610) 6.145 8.474 ( -8.222 -8.084 2.551) 11.809 8.711 ( 6.318 5.842 4.765) 9.836 8.832 ( 0.066 1.063 0.684) 1.265 8.862 ( 0.472 -1.297 1.434) 1.990 8.979 ( -1.443 -4.747 -0.665) 5.006 9.041 ( 1.511 1.118 2.834) 3.401 9.090 ( 0.856 -1.742 4.348) 4.762 9.145 ( -4.534 -3.062 2.941) 6.212 9.183 ( -5.139 -3.559 1.863) 6.522 9.387 ( -3.472 3.216 -2.893) 5.547 9.420 ( -6.881 4.965 -2.196) 8.765 9.449 ( 0.967 -3.779 -1.343) 4.126 9.569 ( -9.906 -8.175 -3.212) 13.239 10.162 ( 0.450 6.912 2.907) 7.512 10.185 ( -1.887 6.130 3.447) 7.282 10.271 ( -0.336 -4.393 1.266) 4.584 10.297 ( -2.832 -5.692 2.361) 6.782 10.718 ( 4.532 5.480 -0.669) 7.143 10.775 ( -0.601 5.414 -0.948) 5.529 10.863 ( 4.885 -7.325 -2.362) 9.115 10.939 ( -2.447 -8.931 -3.525) 9.909 11.121 ( 7.404 3.730 -2.499) 8.659 11.201 ( 5.285 -2.887 -4.273) 7.384 11.281 ( -7.389 2.157 -3.633) 8.512 11.335 ( -6.870 -2.129 -4.461) 8.463 11.679 ( 2.738 5.977 2.100) 6.901 11.725 ( -1.548 4.887 1.567) 5.360 11.777 ( 3.412 -4.425 -0.507) 5.611 11.827 ( -1.189 -5.490 1.245) 5.754 11.979 ( 1.671 0.668 0.591) 1.894 11.999 ( 2.818 -1.425 -0.678) 3.230 12.029 ( -3.463 2.629 -1.745) 4.685 12.085 ( -4.796 -2.705 -2.065) 5.881 12.546 ( 5.343 5.054 0.858) 7.404 12.570 ( 2.944 3.757 1.310) 4.950 12.617 ( -2.968 4.875 0.073) 5.708 12.674 ( -5.616 0.538 -0.657) 5.680 12.857 ( 2.195 0.820 2.267) 3.260 12.901 ( -0.916 -0.717 1.205) 1.675 12.953 ( -0.793 -6.623 2.366) 7.078 12.970 ( -2.404 -5.956 0.111) 6.424 13.298 ( 4.498 2.575 -2.555) 5.778 13.335 ( 5.010 0.094 -2.148) 5.452 13.361 ( -0.309 2.004 -2.813) 3.467 13.419 ( -2.114 -2.298 -0.669) 3.194 13.660 ( 0.598 1.074 1.952) 2.307 13.676 ( 0.588 0.099 3.114) 3.171 13.694 ( -1.273 -0.303 2.525) 2.844 13.723 ( -2.643 -2.131 3.064) 4.573 13.896 ( 8.505 5.698 1.033) 10.289 13.996 ( 7.565 -3.236 -1.127) 8.305 14.050 ( -5.960 4.778 -0.610) 7.663 14.116 ( -2.848 -1.053 -3.418) 4.572 14.181 ( 1.758 -0.145 2.331) 2.923 14.207 ( 3.893 -2.533 2.194) 5.137 14.235 ( -3.212 1.955 2.524) 4.529 14.298 ( -4.813 -4.071 1.534) 6.488 14.439 ( 2.787 5.550 -0.352) 6.221 14.501 ( -3.103 3.929 -1.127) 5.132 14.557 ( -0.363 -4.976 1.566) 5.229 14.583 ( -2.881 -2.826 1.246) 4.224 14.775 ( 2.101 3.698 -0.990) 4.367 14.809 ( -0.424 1.313 -3.243) 3.524 14.866 ( 0.005 -3.728 -0.599) 3.776 14.896 ( -2.564 -4.620 -1.737) 5.562 16.503 ( 2.724 6.695 3.272) 7.934 16.562 ( -3.109 5.005 2.888) 6.562 16.634 ( 0.831 -6.181 1.920) 6.525 16.664 ( -1.995 -4.887 1.639) 5.527 16.868 ( 2.257 1.322 -0.953) 2.784 16.896 ( 1.867 -1.329 -1.760) 2.890 16.909 ( -1.669 1.051 -0.850) 2.148 16.933 ( -1.643 -1.286 -1.138) 2.377 18.026 ( 4.049 3.094 -0.773) 5.154 18.070 ( 1.482 -1.289 -0.973) 2.192 18.085 ( -0.373 1.909 -1.714) 2.593 18.095 ( -2.641 0.803 -1.487) 3.135 18.919 ( 1.207 1.097 0.436) 1.688 18.946 ( 0.644 -1.571 0.052) 1.698 18.951 ( -2.024 0.587 -0.017) 2.107 18.971 ( -1.908 -1.340 -0.472) 2.379 22.712 ( 1.814 4.733 0.820) 5.135 22.730 ( -0.024 2.293 1.037) 2.516 22.766 ( 2.906 -1.278 0.121) 3.177 22.802 ( -0.609 -4.187 -0.068) 4.231 23.425 ( 1.771 1.082 -0.728) 2.200 23.444 ( 2.020 -0.189 -1.228) 2.372 23.469 ( -1.623 1.213 -1.439) 2.485 23.502 ( -2.807 -1.437 -2.128) 3.805 24.320 ( 2.919 1.137 2.428) 3.963 24.348 ( 1.688 -1.622 2.934) 3.753 24.373 ( -0.565 -0.387 2.085) 2.195 24.396 ( -1.780 -2.375 2.852) 4.116 24.872 ( -2.279 8.969 1.053) 9.314 24.883 ( -3.205 8.942 1.201) 9.574 25.033 ( -1.575 -7.555 -1.484) 7.859 25.049 ( -3.111 -7.917 -0.821) 8.546 26.413 ( 8.244 1.043 2.555) 8.694 26.429 ( 7.683 -0.486 2.613) 8.130 26.555 ( -5.701 0.322 0.618) 5.743 26.561 ( -5.803 -0.229 0.611) 5.840 27.202 ( 3.088 3.902 -0.998) 5.076 27.234 ( 0.019 2.851 -1.183) 3.086 27.296 ( 2.995 -5.661 -2.608) 6.915 27.326 ( 0.297 -6.413 -2.609) 6.930 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 0.000 33.394) 33.394 1.373 ( 0.000 0.000 34.933) 34.933 1.889 ( 0.000 0.000 46.766) 46.766 2.424 ( 0.000 0.000 -25.455) 25.455 2.440 ( 0.000 0.000 -20.331) 20.331 2.623 ( 0.000 0.000 -3.329) 3.329 2.673 ( 0.000 0.000 -1.958) 1.958 2.872 ( 0.000 0.000 3.622) 3.622 2.882 ( 0.000 0.000 7.334) 7.334 2.926 ( 0.000 0.000 -4.542) 4.542 2.947 ( 0.000 0.000 -9.136) 9.136 3.022 ( 0.000 0.000 -8.616) 8.616 3.072 ( 0.000 0.000 5.471) 5.471 3.322 ( 0.000 0.000 2.528) 2.528 3.366 ( 0.000 0.000 -21.860) 21.860 3.401 ( 0.000 0.000 0.403) 0.403 3.626 ( 0.000 0.000 5.799) 5.799 3.836 ( 0.000 0.000 -8.776) 8.776 3.949 ( 0.000 0.000 -8.533) 8.533 3.991 ( 0.000 0.000 -7.106) 7.106 4.128 ( 0.000 0.000 1.607) 1.607 4.169 ( 0.000 0.000 -3.751) 3.751 4.173 ( 0.000 0.000 15.385) 15.385 4.310 ( 0.000 0.000 -3.542) 3.542 4.349 ( 0.000 0.000 1.800) 1.800 4.475 ( 0.000 0.000 -13.858) 13.858 4.549 ( 0.000 0.000 3.125) 3.125 4.693 ( 0.000 0.000 -15.182) 15.182 4.793 ( 0.000 0.000 -17.072) 17.072 5.025 ( 0.000 0.000 -14.585) 14.585 5.112 ( 0.000 0.000 3.596) 3.596 5.331 ( 0.000 0.000 -3.731) 3.731 5.403 ( 0.000 0.000 8.976) 8.976 5.513 ( 0.000 0.000 2.892) 2.892 5.570 ( 0.000 0.000 4.988) 4.988 5.584 ( 0.000 0.000 -0.615) 0.615 5.743 ( 0.000 0.000 -0.182) 0.182 5.782 ( 0.000 0.000 -5.376) 5.376 5.803 ( 0.000 0.000 -2.472) 2.472 5.870 ( 0.000 0.000 10.539) 10.539 5.878 ( 0.000 0.000 -6.363) 6.363 6.081 ( 0.000 0.000 -4.044) 4.044 6.104 ( 0.000 0.000 -6.963) 6.963 6.198 ( 0.000 0.000 -4.614) 4.614 6.289 ( 0.000 0.000 7.287) 7.287 6.380 ( 0.000 0.000 3.391) 3.391 6.451 ( 0.000 0.000 4.978) 4.978 6.505 ( 0.000 0.000 2.031) 2.031 6.557 ( 0.000 0.000 13.971) 13.971 6.580 ( 0.000 0.000 12.228) 12.228 6.737 ( 0.000 0.000 6.476) 6.476 6.928 ( 0.000 0.000 2.786) 2.786 6.942 ( 0.000 0.000 -5.446) 5.446 7.134 ( 0.000 0.000 -11.526) 11.526 7.211 ( 0.000 0.000 3.469) 3.469 7.284 ( 0.000 0.000 1.244) 1.244 7.822 ( 0.000 0.000 1.599) 1.599 7.876 ( 0.000 0.000 0.459) 0.459 7.879 ( 0.000 0.000 14.133) 14.133 8.084 ( 0.000 0.000 11.713) 11.713 8.291 ( 0.000 0.000 -2.328) 2.328 8.298 ( 0.000 0.000 -1.093) 1.093 8.562 ( 0.000 0.000 6.158) 6.158 8.688 ( 0.000 0.000 -3.110) 3.110 8.707 ( 0.000 0.000 0.314) 0.314 8.751 ( 0.000 0.000 -4.129) 4.129 8.814 ( 0.000 0.000 -6.642) 6.642 8.939 ( 0.000 0.000 -7.867) 7.867 9.129 ( 0.000 0.000 2.067) 2.067 9.218 ( 0.000 0.000 5.387) 5.387 9.231 ( 0.000 0.000 -1.926) 1.926 9.554 ( 0.000 0.000 9.091) 9.091 9.592 ( 0.000 0.000 -3.639) 3.639 9.645 ( 0.000 0.000 -10.123) 10.123 9.705 ( 0.000 0.000 -1.179) 1.179 9.727 ( 0.000 0.000 4.033) 4.033 10.077 ( 0.000 0.000 8.828) 8.828 10.235 ( 0.000 0.000 -7.280) 7.280 10.279 ( 0.000 0.000 -4.409) 4.409 10.370 ( 0.000 0.000 -4.599) 4.599 10.522 ( 0.000 0.000 5.568) 5.568 10.635 ( 0.000 0.000 -1.485) 1.485 10.829 ( 0.000 0.000 8.043) 8.043 10.989 ( 0.000 0.000 7.423) 7.423 11.091 ( 0.000 0.000 -1.084) 1.084 11.180 ( 0.000 0.000 -2.628) 2.628 11.181 ( 0.000 0.000 -6.894) 6.894 11.331 ( 0.000 0.000 -10.661) 10.661 11.638 ( 0.000 0.000 2.204) 2.204 11.761 ( 0.000 0.000 5.549) 5.549 11.786 ( 0.000 0.000 -2.405) 2.405 11.862 ( 0.000 0.000 0.355) 0.355 12.043 ( 0.000 0.000 2.703) 2.703 12.083 ( 0.000 0.000 0.813) 0.813 12.128 ( 0.000 0.000 -3.390) 3.390 12.142 ( 0.000 0.000 -1.898) 1.898 12.450 ( 0.000 0.000 4.225) 4.225 12.480 ( 0.000 0.000 10.064) 10.064 12.745 ( 0.000 0.000 4.333) 4.333 12.829 ( 0.000 0.000 -14.205) 14.205 12.840 ( 0.000 0.000 -4.064) 4.064 12.866 ( 0.000 0.000 -1.873) 1.873 12.890 ( 0.000 0.000 -3.626) 3.626 12.915 ( 0.000 0.000 -2.591) 2.591 13.235 ( 0.000 0.000 1.648) 1.648 13.283 ( 0.000 0.000 0.256) 0.256 13.289 ( 0.000 0.000 3.996) 3.996 13.426 ( 0.000 0.000 -3.301) 3.301 13.562 ( 0.000 0.000 3.124) 3.124 13.692 ( 0.000 0.000 -0.995) 0.995 13.754 ( 0.000 0.000 -1.122) 1.122 13.812 ( 0.000 0.000 -4.463) 4.463 13.815 ( 0.000 0.000 9.493) 9.493 13.877 ( 0.000 0.000 1.633) 1.633 13.957 ( 0.000 0.000 -2.067) 2.067 14.057 ( 0.000 0.000 -0.531) 0.531 14.171 ( 0.000 0.000 -1.271) 1.271 14.189 ( 0.000 0.000 -4.522) 4.522 14.204 ( 0.000 0.000 0.547) 0.547 14.210 ( 0.000 0.000 -0.211) 0.211 14.438 ( 0.000 0.000 4.587) 4.587 14.555 ( 0.000 0.000 -2.294) 2.294 14.672 ( 0.000 0.000 8.163) 8.163 14.696 ( 0.000 0.000 5.468) 5.468 14.832 ( 0.000 0.000 -1.735) 1.735 14.988 ( 0.000 0.000 4.147) 4.147 15.008 ( 0.000 0.000 -7.174) 7.174 15.052 ( 0.000 0.000 -0.097) 0.097 16.340 ( 0.000 0.000 7.968) 7.968 16.599 ( 0.000 0.000 -4.845) 4.845 16.678 ( 0.000 0.000 2.288) 2.288 16.746 ( 0.000 0.000 -1.220) 1.220 16.925 ( 0.000 0.000 4.805) 4.805 16.945 ( 0.000 0.000 0.765) 0.765 16.962 ( 0.000 0.000 -0.182) 0.182 17.108 ( 0.000 0.000 -3.844) 3.844 17.603 ( 0.000 0.000 -0.114) 0.114 17.624 ( 0.000 0.000 -1.365) 1.365 18.089 ( 0.000 0.000 -0.122) 0.122 18.124 ( 0.000 0.000 -1.946) 1.946 18.896 ( 0.000 0.000 4.020) 4.020 19.017 ( 0.000 0.000 0.656) 0.656 19.041 ( 0.000 0.000 -0.478) 0.478 19.066 ( 0.000 0.000 -4.457) 4.457 22.445 ( 0.000 0.000 0.949) 0.949 22.488 ( 0.000 0.000 -1.146) 1.146 22.799 ( 0.000 0.000 2.069) 2.069 22.898 ( 0.000 0.000 -2.923) 2.923 23.364 ( 0.000 0.000 1.148) 1.148 23.402 ( 0.000 0.000 -0.771) 0.771 23.459 ( 0.000 0.000 0.504) 0.504 23.481 ( 0.000 0.000 -0.568) 0.568 24.317 ( 0.000 0.000 -0.994) 0.994 24.322 ( 0.000 0.000 -0.812) 0.812 24.377 ( 0.000 0.000 5.757) 5.757 24.601 ( 0.000 0.000 -5.287) 5.287 25.086 ( 0.000 0.000 5.129) 5.129 25.289 ( 0.000 0.000 -5.888) 5.888 25.297 ( 0.000 0.000 2.972) 2.972 25.421 ( 0.000 0.000 -3.081) 3.081 26.143 ( 0.000 0.000 6.002) 6.002 26.290 ( 0.000 0.000 -1.829) 1.829 26.806 ( 0.000 0.000 3.110) 3.110 26.812 ( 0.000 0.000 1.340) 1.340 26.859 ( 0.000 0.000 -0.446) 0.446 26.967 ( 0.000 0.000 -4.240) 4.240 27.189 ( 0.000 0.000 1.472) 1.472 27.257 ( 0.000 0.000 -1.869) 1.869 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -0.724 0.000 33.863) 33.871 1.537 ( 15.617 0.000 29.748) 33.599 2.301 ( 29.363 0.000 26.242) 39.380 2.453 ( 2.157 0.000 -28.169) 28.252 2.464 ( 2.180 0.000 -16.009) 16.157 2.577 ( -3.413 0.000 -2.696) 4.349 2.657 ( -0.649 0.000 -3.117) 3.184 2.825 ( -6.098 0.000 3.422) 6.992 2.894 ( 2.432 0.000 5.562) 6.070 2.909 ( -1.505 0.000 -7.605) 7.752 2.954 ( 0.675 0.000 -6.924) 6.957 3.067 ( 4.373 0.000 -4.661) 6.391 3.105 ( 3.110 0.000 4.294) 5.302 3.268 ( -3.381 0.000 -2.608) 4.270 3.346 ( -5.346 0.000 -2.529) 5.914 3.436 ( 5.125 0.000 -13.670) 14.600 3.589 ( -2.790 0.000 1.672) 3.252 3.836 ( -11.651 0.000 -4.306) 12.421 3.844 ( 3.362 0.000 2.391) 4.126 3.979 ( -0.111 0.000 0.475) 0.488 4.151 ( 6.520 0.000 -2.665) 7.043 4.223 ( -1.331 0.000 -6.101) 6.244 4.232 ( 2.213 0.000 -3.736) 4.342 4.334 ( 10.811 0.000 10.352) 14.968 4.441 ( 6.923 0.000 0.852) 6.976 4.550 ( 7.650 0.000 -16.193) 17.910 4.572 ( 3.113 0.000 5.097) 5.973 4.714 ( 1.767 0.000 -13.128) 13.246 4.723 ( -3.093 0.000 -11.593) 11.999 4.996 ( -9.795 0.000 5.182) 11.081 5.050 ( 0.438 0.000 -12.831) 12.838 5.266 ( -8.725 0.000 -4.574) 9.851 5.315 ( -10.540 0.000 8.597) 13.602 5.359 ( -1.493 0.000 4.638) 4.872 5.560 ( -7.298 0.000 6.307) 9.646 5.631 ( 3.641 0.000 0.419) 3.665 5.728 ( -2.222 0.000 -5.278) 5.727 5.754 ( -5.303 0.000 0.597) 5.337 5.840 ( -0.786 0.000 -5.773) 5.826 5.889 ( 2.376 0.000 -7.309) 7.686 5.940 ( 2.050 0.000 -2.326) 3.100 6.030 ( 7.940 0.000 -6.028) 9.969 6.147 ( 4.657 0.000 0.321) 4.668 6.204 ( -6.402 0.000 -1.099) 6.495 6.317 ( -1.877 0.000 9.164) 9.355 6.371 ( -5.954 0.000 4.203) 7.288 6.446 ( -0.069 0.000 2.508) 2.509 6.506 ( 2.050 0.000 4.442) 4.892 6.631 ( 3.853 0.000 7.170) 8.139 6.671 ( 9.212 0.000 9.901) 13.523 6.834 ( -3.950 0.000 -1.349) 4.174 6.891 ( 16.024 0.000 2.458) 16.211 7.036 ( -5.425 0.000 -7.698) 9.417 7.065 ( 6.960 0.000 -2.478) 7.387 7.301 ( 2.015 0.000 1.340) 2.420 7.319 ( 8.779 0.000 -1.549) 8.915 7.842 ( 2.037 0.000 2.445) 3.183 7.906 ( 2.293 0.000 1.302) 2.637 7.916 ( 3.281 0.000 13.350) 13.747 8.094 ( 1.189 0.000 9.662) 9.735 8.315 ( 1.508 0.000 0.147) 1.515 8.337 ( 4.636 0.000 -1.521) 4.879 8.510 ( -6.546 0.000 2.577) 7.035 8.555 ( -8.887 0.000 -0.261) 8.891 8.674 ( -0.578 0.000 -3.106) 3.159 8.833 ( 1.716 0.000 -3.118) 3.559 8.861 ( 4.978 0.000 -2.139) 5.419 8.970 ( 2.745 0.000 -6.134) 6.720 9.106 ( -1.370 0.000 -0.157) 1.379 9.163 ( -6.369 0.000 -2.192) 6.736 9.259 ( 3.254 0.000 5.023) 5.985 9.465 ( -6.646 0.000 1.599) 6.835 9.593 ( -1.021 0.000 1.212) 1.584 9.605 ( -8.233 0.000 4.635) 9.448 9.661 ( -4.600 0.000 1.871) 4.966 9.669 ( 1.697 0.000 -7.026) 7.228 10.069 ( -0.346 0.000 8.317) 8.324 10.282 ( 3.159 0.000 -6.356) 7.097 10.305 ( 0.266 0.000 1.793) 1.812 10.403 ( 2.942 0.000 -3.909) 4.893 10.549 ( 4.317 0.000 -0.727) 4.378 10.629 ( -0.987 0.000 -3.853) 3.977 10.840 ( -1.033 0.000 8.111) 8.177 10.950 ( 1.083 0.000 6.418) 6.509 11.053 ( -3.919 0.000 -2.121) 4.456 11.201 ( 2.802 0.000 -6.760) 7.318 11.252 ( 4.301 0.000 -0.846) 4.384 11.382 ( 3.780 0.000 -8.362) 9.177 11.616 ( -3.680 0.000 2.459) 4.426 11.730 ( -2.265 0.000 7.068) 7.422 11.768 ( -1.472 0.000 -2.792) 3.157 11.875 ( 0.696 0.000 -1.330) 1.501 11.988 ( -3.820 0.000 2.369) 4.495 12.085 ( -0.290 0.000 1.233) 1.267 12.103 ( -2.336 0.000 -4.619) 5.176 12.145 ( 0.061 0.000 -1.617) 1.618 12.402 ( -3.450 0.000 4.723) 5.849 12.501 ( 0.543 0.000 8.843) 8.860 12.751 ( -3.331 0.000 -8.950) 9.550 12.808 ( -3.303 0.000 -3.922) 5.128 12.834 ( 6.271 0.000 -0.877) 6.332 12.873 ( 2.995 0.000 -3.239) 4.411 12.964 ( 4.142 0.000 1.576) 4.432 12.969 ( 4.409 0.000 -2.247) 4.949 13.115 ( -6.914 0.000 0.486) 6.931 13.210 ( -4.351 0.000 -3.499) 5.583 13.343 ( 1.009 0.000 3.959) 4.085 13.447 ( 0.508 0.000 -0.573) 0.766 13.606 ( 4.190 0.000 2.623) 4.943 13.690 ( -0.331 0.000 -0.685) 0.761 13.751 ( -0.011 0.000 3.891) 3.891 13.808 ( -0.316 0.000 -4.014) 4.027 13.829 ( 1.272 0.000 4.560) 4.734 13.940 ( 5.573 0.000 0.241) 5.578 13.986 ( -0.051 0.000 0.057) 0.077 14.008 ( -2.066 0.000 -0.987) 2.290 14.166 ( -1.551 0.000 -2.346) 2.813 14.192 ( 1.971 0.000 -1.327) 2.376 14.226 ( 1.223 0.000 -1.501) 1.937 14.238 ( 2.426 0.000 -2.145) 3.239 14.426 ( -1.291 0.000 5.409) 5.561 14.539 ( -1.495 0.000 -2.079) 2.561 14.626 ( -3.974 0.000 6.697) 7.787 14.703 ( 0.659 0.000 5.743) 5.781 14.853 ( 1.972 0.000 -2.002) 2.810 14.902 ( -6.207 0.000 -0.763) 6.254 15.017 ( -1.372 0.000 -2.215) 2.606 15.040 ( -1.139 0.000 -0.340) 1.189 16.358 ( 1.820 0.000 8.240) 8.438 16.648 ( 4.189 0.000 -6.572) 7.794 16.671 ( -0.858 0.000 3.030) 3.149 16.755 ( 0.901 0.000 -1.398) 1.663 16.902 ( -3.068 0.000 3.213) 4.443 16.913 ( -3.099 0.000 1.741) 3.554 16.924 ( -1.896 0.000 0.049) 1.897 17.067 ( -3.554 0.000 -2.903) 4.589 17.675 ( 4.888 0.000 -0.857) 4.962 17.678 ( 6.697 0.000 -0.739) 6.738 18.092 ( 0.169 0.000 -0.303) 0.347 18.119 ( -0.572 0.000 -1.863) 1.949 18.897 ( 0.156 0.000 3.568) 3.571 19.010 ( -0.734 0.000 0.506) 0.891 19.030 ( -1.147 0.000 -0.374) 1.206 19.049 ( -1.578 0.000 -3.939) 4.243 22.475 ( 2.919 0.000 1.151) 3.138 22.526 ( 3.693 0.000 -1.326) 3.924 22.790 ( -0.918 0.000 2.293) 2.470 22.896 ( -0.343 0.000 -2.987) 3.007 23.374 ( 0.978 0.000 1.030) 1.420 23.405 ( 0.374 0.000 -0.343) 0.508 23.461 ( 0.133 0.000 0.509) 0.526 23.497 ( 1.181 0.000 -1.661) 2.038 24.307 ( -0.662 0.000 0.763) 1.010 24.338 ( 1.622 0.000 -1.042) 1.928 24.387 ( 0.930 0.000 4.933) 5.020 24.594 ( -0.703 0.000 -4.950) 4.999 25.016 ( -7.435 0.000 6.538) 9.901 25.141 ( -11.902 0.000 8.858) 14.837 25.244 ( -4.323 0.000 -5.968) 7.369 25.357 ( -5.670 0.000 -3.794) 6.823 26.203 ( 5.480 0.000 4.813) 7.293 26.237 ( -0.647 0.000 4.088) 4.139 26.757 ( -4.233 0.000 2.151) 4.748 26.789 ( -3.330 0.000 1.106) 3.509 26.914 ( 5.221 0.000 0.326) 5.232 27.085 ( 8.500 0.000 -10.181) 13.263 27.221 ( 2.411 0.000 2.101) 3.198 27.328 ( 5.447 0.000 -3.853) 6.672 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 17.238 0.000 14.638) 22.614 1.921 ( 21.623 0.000 19.605) 29.187 2.461 ( -1.593 0.000 -28.504) 28.548 2.461 ( -6.103 0.000 -4.615) 7.651 2.509 ( -4.280 0.000 -10.124) 10.992 2.581 ( 4.076 0.000 -10.462) 11.228 2.713 ( -2.494 0.000 -1.123) 2.735 2.788 ( 7.116 0.000 -4.528) 8.434 2.904 ( 0.377 0.000 -0.642) 0.744 2.916 ( -4.193 0.000 -1.656) 4.508 3.044 ( 11.367 0.000 6.227) 12.961 3.111 ( -1.291 0.000 -5.631) 5.777 3.184 ( -10.573 0.000 -2.702) 10.913 3.218 ( 7.418 0.000 -1.656) 7.601 3.231 ( 0.113 0.000 -4.612) 4.613 3.427 ( -9.963 0.000 -13.063) 16.429 3.662 ( 14.036 0.000 2.987) 14.351 3.718 ( 5.995 0.000 0.831) 6.052 4.015 ( 13.730 0.000 8.183) 15.984 4.016 ( 4.183 0.000 2.183) 4.718 4.154 ( 0.397 0.000 -1.806) 1.849 4.304 ( 6.977 0.000 -0.788) 7.021 4.428 ( 11.755 0.000 -5.440) 12.952 4.505 ( 4.969 0.000 9.050) 10.324 4.579 ( 7.005 0.000 0.106) 7.006 4.618 ( -4.513 0.000 3.225) 5.547 4.692 ( 3.821 0.000 -7.408) 8.336 4.697 ( -1.426 0.000 -2.828) 3.167 4.778 ( 4.150 0.000 7.192) 8.304 4.901 ( 9.084 0.000 -9.565) 13.191 4.964 ( -7.622 0.000 -7.115) 10.426 5.033 ( -15.062 0.000 6.554) 16.427 5.136 ( -6.310 0.000 -6.198) 8.845 5.321 ( -3.001 0.000 3.152) 4.352 5.479 ( -1.952 0.000 7.482) 7.732 5.559 ( -14.449 0.000 -9.908) 17.520 5.624 ( -8.289 0.000 2.405) 8.631 5.669 ( -6.191 0.000 -1.596) 6.393 5.733 ( 7.107 0.000 2.583) 7.562 5.892 ( -6.085 0.000 -2.522) 6.587 6.040 ( -6.862 0.000 -2.264) 7.226 6.087 ( 3.035 0.000 -3.273) 4.464 6.177 ( 5.819 0.000 -1.364) 5.977 6.186 ( -2.307 0.000 -2.638) 3.504 6.281 ( -1.608 0.000 3.995) 4.306 6.287 ( 3.915 0.000 -1.384) 4.152 6.447 ( -4.338 0.000 2.416) 4.965 6.498 ( 0.696 0.000 2.281) 2.385 6.695 ( 3.065 0.000 0.884) 3.190 6.762 ( -0.910 0.000 -1.255) 1.551 6.850 ( 4.235 0.000 -1.885) 4.635 6.852 ( -7.736 0.000 -3.103) 8.335 7.224 ( 10.077 0.000 0.085) 10.078 7.270 ( 15.138 0.000 -1.733) 15.237 7.388 ( 7.219 0.000 4.823) 8.682 7.519 ( 10.085 0.000 -0.646) 10.106 7.885 ( 1.865 0.000 3.503) 3.969 7.926 ( -0.926 0.000 7.501) 7.558 7.988 ( 3.266 0.000 12.513) 12.932 8.130 ( 0.834 0.000 2.190) 2.343 8.321 ( -2.743 0.000 -0.091) 2.745 8.325 ( -8.733 0.000 -2.073) 8.976 8.413 ( -3.828 0.000 1.587) 4.144 8.470 ( 8.655 0.000 -1.473) 8.780 8.666 ( -1.532 0.000 -1.645) 2.248 8.834 ( -0.576 0.000 -4.187) 4.226 8.959 ( -3.730 0.000 -3.056) 4.822 8.973 ( -1.772 0.000 -1.074) 2.072 9.023 ( 0.454 0.000 1.859) 1.914 9.148 ( 5.013 0.000 -2.863) 5.773 9.303 ( 0.664 0.000 3.127) 3.197 9.346 ( -4.487 0.000 0.345) 4.500 9.485 ( -3.621 0.000 4.420) 5.714 9.549 ( -2.930 0.000 2.246) 3.692 9.565 ( -4.789 0.000 4.175) 6.353 9.692 ( 0.054 0.000 -6.118) 6.118 10.071 ( 0.744 0.000 8.640) 8.672 10.263 ( -3.689 0.000 8.361) 9.139 10.310 ( 0.472 0.000 -4.287) 4.313 10.500 ( 6.492 0.000 -1.796) 6.736 10.573 ( -4.921 0.000 -3.119) 5.826 10.685 ( 7.908 0.000 -7.455) 10.868 10.793 ( -2.359 0.000 4.224) 4.838 10.977 ( -3.340 0.000 -5.149) 6.137 11.051 ( 6.996 0.000 5.432) 8.857 11.256 ( 2.538 0.000 -3.059) 3.975 11.316 ( 2.263 0.000 -0.205) 2.272 11.444 ( 1.752 0.000 -6.506) 6.738 11.518 ( -4.583 0.000 5.307) 7.012 11.662 ( -4.991 0.000 7.054) 8.642 11.745 ( -0.286 0.000 -5.052) 5.060 11.875 ( -0.522 0.000 -4.406) 4.437 11.937 ( -0.971 0.000 1.508) 1.793 12.042 ( -3.455 0.000 -4.848) 5.953 12.067 ( -1.760 0.000 1.221) 2.142 12.132 ( -1.795 0.000 -2.501) 3.078 12.374 ( 1.318 0.000 5.025) 5.195 12.489 ( -1.092 0.000 7.451) 7.531 12.634 ( -6.766 0.000 -6.611) 9.460 12.726 ( -5.663 0.000 -3.733) 6.783 12.929 ( 0.921 0.000 3.043) 3.179 12.988 ( 1.067 0.000 3.142) 3.318 13.045 ( 8.357 0.000 1.240) 8.449 13.065 ( 8.581 0.000 -5.192) 10.030 13.082 ( 2.987 0.000 -1.293) 3.255 13.158 ( -0.935 0.000 -6.934) 6.997 13.315 ( -3.376 0.000 4.173) 5.368 13.443 ( -0.842 0.000 -0.905) 1.236 13.682 ( -0.190 0.000 1.781) 1.791 13.703 ( 5.319 0.000 2.398) 5.834 13.748 ( -0.670 0.000 7.693) 7.722 13.804 ( 0.094 0.000 -2.837) 2.838 13.865 ( 2.520 0.000 -0.882) 2.670 13.904 ( -4.135 0.000 2.016) 4.600 14.033 ( 1.591 0.000 -2.803) 3.224 14.039 ( 0.661 0.000 -0.937) 1.147 14.161 ( 2.637 0.000 -1.604) 3.087 14.180 ( -1.616 0.000 -2.125) 2.669 14.279 ( 2.804 0.000 -0.822) 2.922 14.299 ( 3.282 0.000 -2.140) 3.918 14.385 ( -2.528 0.000 7.042) 7.482 14.506 ( -1.449 0.000 -1.653) 2.198 14.542 ( -4.326 0.000 2.599) 5.046 14.721 ( 0.827 0.000 4.362) 4.439 14.770 ( -6.387 0.000 -0.059) 6.387 14.899 ( 2.438 0.000 -2.635) 3.590 14.956 ( -4.451 0.000 -1.032) 4.569 15.012 ( -1.586 0.000 -1.405) 2.119 16.408 ( 3.165 0.000 8.792) 9.345 16.636 ( -2.945 0.000 5.496) 6.235 16.733 ( 3.959 0.000 -7.480) 8.463 16.781 ( 1.832 0.000 -2.298) 2.939 16.829 ( -2.626 0.000 1.482) 3.015 16.868 ( -2.211 0.000 2.900) 3.647 16.883 ( -2.042 0.000 -0.986) 2.267 16.991 ( -3.882 0.000 -2.522) 4.629 17.796 ( 6.873 0.000 -0.198) 6.876 17.827 ( 7.779 0.000 -1.463) 7.916 18.088 ( -0.752 0.000 -0.788) 1.089 18.095 ( -2.092 0.000 -1.338) 2.483 18.905 ( 0.653 0.000 2.524) 2.607 18.992 ( -1.002 0.000 0.028) 1.002 18.999 ( -1.891 0.000 -0.058) 1.892 19.013 ( -1.862 0.000 -2.641) 3.232 22.551 ( 4.471 0.000 1.677) 4.775 22.622 ( 5.762 0.000 -1.820) 6.042 22.762 ( -1.947 0.000 2.682) 3.315 22.879 ( -1.562 0.000 -3.088) 3.460 23.400 ( 1.526 0.000 0.737) 1.695 23.420 ( 1.159 0.000 -0.055) 1.161 23.462 ( -0.116 0.000 0.563) 0.575 23.509 ( -0.242 0.000 -2.001) 2.016 24.307 ( 0.922 0.000 2.787) 2.936 24.384 ( 3.007 0.000 -1.587) 3.400 24.409 ( 0.998 0.000 3.512) 3.651 24.571 ( -1.713 0.000 -3.981) 4.334 24.825 ( -9.099 0.000 11.330) 14.531 24.951 ( -8.133 0.000 9.153) 12.244 25.145 ( -4.842 0.000 -6.655) 8.230 25.233 ( -6.334 0.000 -5.235) 8.217 26.299 ( 5.971 0.000 3.944) 7.156 26.331 ( 6.949 0.000 2.934) 7.543 26.666 ( -4.736 0.000 1.256) 4.900 26.700 ( -5.413 0.000 0.453) 5.432 27.039 ( 6.809 0.000 1.405) 6.952 27.233 ( 6.559 0.000 -8.459) 10.704 27.255 ( 0.633 0.000 2.568) 2.645 27.407 ( 2.008 0.000 -6.024) 6.349 ======================= Grid point 73 (28/48) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 23.168 0.000 -1.802) 23.238 2.210 ( -18.552 0.000 -7.265) 19.924 2.269 ( 9.647 0.000 -2.237) 9.903 2.386 ( -5.713 0.000 -11.288) 12.652 2.523 ( 10.647 0.000 -14.732) 18.177 2.682 ( 5.623 0.000 -5.141) 7.619 2.708 ( -2.138 0.000 -1.993) 2.923 2.797 ( -6.047 0.000 -1.840) 6.321 2.883 ( 4.122 0.000 -0.600) 4.166 2.901 ( -0.197 0.000 -1.452) 1.465 2.985 ( -9.670 0.000 -7.468) 12.218 2.996 ( -7.630 0.000 -1.500) 7.776 3.220 ( 6.317 0.000 -9.132) 11.104 3.246 ( 0.850 0.000 -7.044) 7.096 3.274 ( -3.069 0.000 -9.430) 9.917 3.288 ( -0.334 0.000 -10.608) 10.614 3.931 ( 13.115 0.000 1.778) 13.235 4.008 ( 14.859 0.000 1.637) 14.949 4.117 ( 1.120 0.000 2.194) 2.463 4.151 ( 0.540 0.000 -4.200) 4.234 4.321 ( -3.126 0.000 5.804) 6.593 4.427 ( -6.361 0.000 9.387) 11.339 4.430 ( 19.081 0.000 10.811) 21.931 4.564 ( 0.924 0.000 -0.068) 0.927 4.607 ( 2.153 0.000 4.198) 4.718 4.629 ( -0.025 0.000 -3.920) 3.920 4.694 ( -4.687 0.000 3.112) 5.626 4.733 ( 0.686 0.000 1.696) 1.830 4.830 ( 2.021 0.000 0.374) 2.055 4.872 ( -0.371 0.000 6.072) 6.083 4.885 ( 3.467 0.000 1.532) 3.791 5.004 ( -0.630 0.000 -4.845) 4.886 5.173 ( -14.938 0.000 13.602) 20.203 5.182 ( 13.538 0.000 -4.209) 14.178 5.245 ( -14.290 0.000 -7.630) 16.200 5.405 ( -9.917 0.000 4.530) 10.903 5.539 ( 6.687 0.000 4.506) 8.063 5.647 ( 3.630 0.000 -4.832) 6.044 5.756 ( -6.168 0.000 -1.911) 6.457 5.769 ( -11.943 0.000 -1.938) 12.099 5.984 ( 10.428 0.000 5.918) 11.990 6.129 ( 0.195 0.000 2.258) 2.267 6.149 ( -2.649 0.000 4.479) 5.204 6.158 ( -3.670 0.000 2.481) 4.430 6.337 ( 2.029 0.000 -8.272) 8.517 6.344 ( 4.584 0.000 -4.992) 6.778 6.419 ( -1.500 0.000 -9.277) 9.397 6.426 ( -6.307 0.000 -6.874) 9.330 6.736 ( 0.705 0.000 -2.281) 2.388 6.754 ( -1.460 0.000 -3.644) 3.926 6.780 ( 2.935 0.000 -5.710) 6.420 6.850 ( -3.108 0.000 -7.194) 7.837 7.445 ( 10.221 0.000 4.287) 11.084 7.511 ( 10.198 0.000 3.891) 10.915 7.524 ( 3.488 0.000 6.006) 6.945 7.648 ( -0.263 0.000 3.231) 3.241 7.900 ( 1.228 0.000 7.096) 7.202 7.914 ( 2.042 0.000 6.244) 6.569 7.989 ( -3.799 0.000 8.317) 9.143 8.012 ( -8.523 0.000 -0.615) 8.545 8.281 ( 1.708 0.000 -0.120) 1.712 8.354 ( 8.640 0.000 -3.303) 9.250 8.357 ( -4.035 0.000 2.652) 4.829 8.550 ( -8.901 0.000 -5.571) 10.501 8.661 ( 8.437 0.000 1.257) 8.530 8.818 ( -7.643 0.000 0.249) 7.648 8.840 ( 1.563 0.000 -5.303) 5.528 8.887 ( -3.028 0.000 -4.349) 5.299 9.172 ( 7.850 0.000 3.355) 8.537 9.223 ( 2.738 0.000 1.457) 3.101 9.283 ( -3.068 0.000 0.984) 3.222 9.288 ( -3.143 0.000 1.499) 3.482 9.444 ( -0.336 0.000 3.614) 3.629 9.481 ( -3.595 0.000 5.529) 6.595 9.542 ( 3.951 0.000 -1.462) 4.213 9.648 ( -4.678 0.000 -4.516) 6.502 10.106 ( 2.887 0.000 9.434) 9.865 10.180 ( -4.398 0.000 9.828) 10.767 10.345 ( 3.596 0.000 -2.083) 4.155 10.450 ( -6.564 0.000 -1.849) 6.820 10.635 ( 6.497 0.000 0.607) 6.525 10.739 ( -3.802 0.000 1.776) 4.196 10.821 ( 5.736 0.000 -8.274) 10.068 10.914 ( -3.720 0.000 -7.218) 8.120 11.191 ( 7.160 0.000 2.221) 7.496 11.313 ( -3.901 0.000 -0.014) 3.901 11.322 ( 4.677 0.000 -1.974) 5.077 11.420 ( -4.094 0.000 -3.572) 5.434 11.482 ( 1.711 0.000 6.023) 6.261 11.557 ( -5.050 0.000 6.041) 7.874 11.775 ( 3.225 0.000 -8.258) 8.866 11.846 ( -3.044 0.000 -8.848) 9.357 11.952 ( 2.341 0.000 1.619) 2.846 12.010 ( 1.304 0.000 -1.956) 2.350 12.014 ( -3.392 0.000 1.671) 3.781 12.073 ( -3.880 0.000 -2.360) 4.542 12.449 ( 5.880 0.000 2.619) 6.437 12.479 ( 0.499 0.000 4.080) 4.110 12.522 ( -4.081 0.000 -0.928) 4.185 12.587 ( -7.750 0.000 -0.633) 7.775 12.958 ( 3.034 0.000 3.771) 4.840 13.012 ( -1.041 0.000 2.161) 2.399 13.115 ( 2.161 0.000 -3.482) 4.098 13.140 ( -0.547 0.000 -4.897) 4.927 13.151 ( 4.060 0.000 2.484) 4.759 13.234 ( -4.308 0.000 4.293) 6.082 13.288 ( 8.898 0.000 -4.397) 9.926 13.405 ( -3.438 0.000 -2.719) 4.383 13.691 ( 1.165 0.000 4.643) 4.787 13.722 ( -1.756 0.000 6.826) 7.049 13.798 ( 2.535 0.000 1.656) 3.028 13.822 ( 1.001 0.000 -1.001) 1.416 13.857 ( 1.942 0.000 1.649) 2.548 13.927 ( 3.725 0.000 -2.911) 4.727 13.976 ( -6.376 0.000 -1.339) 6.515 14.001 ( -3.397 0.000 -3.543) 4.909 14.199 ( 3.248 0.000 1.379) 3.529 14.253 ( 5.049 0.000 -1.778) 5.353 14.273 ( -3.487 0.000 2.158) 4.101 14.325 ( -1.564 0.000 -1.911) 2.470 14.385 ( 2.959 0.000 2.759) 4.046 14.459 ( -4.144 0.000 0.882) 4.236 14.519 ( 3.625 0.000 -1.914) 4.100 14.627 ( -6.557 0.000 -2.427) 6.991 14.776 ( 3.379 0.000 4.575) 5.687 14.860 ( -4.927 0.000 1.212) 5.074 14.943 ( 2.072 0.000 -3.086) 3.717 14.980 ( -1.713 0.000 -2.679) 3.180 16.479 ( 3.991 0.000 8.934) 9.785 16.561 ( -4.270 0.000 7.966) 9.038 16.790 ( 2.005 0.000 -4.963) 5.352 16.809 ( 0.244 0.000 1.474) 1.494 16.816 ( 0.185 0.000 -5.201) 5.205 16.829 ( -1.636 0.000 2.018) 2.598 16.863 ( 1.282 0.000 -1.507) 1.979 16.919 ( -3.451 0.000 -2.932) 4.528 17.928 ( 6.269 0.000 -0.131) 6.270 17.964 ( 5.914 0.000 -1.648) 6.140 18.033 ( -4.274 0.000 -0.610) 4.317 18.053 ( -3.065 0.000 -1.349) 3.348 18.925 ( 1.447 0.000 1.394) 2.009 18.960 ( -1.996 0.000 0.513) 2.061 18.977 ( -0.295 0.000 -0.613) 0.680 18.984 ( -0.980 0.000 -1.336) 1.657 22.639 ( 4.281 0.000 2.313) 4.866 22.713 ( -3.140 0.000 2.733) 4.163 22.736 ( 5.539 0.000 -2.461) 6.061 22.828 ( -3.663 0.000 -2.957) 4.707 23.430 ( 1.464 0.000 0.547) 1.563 23.450 ( 1.869 0.000 -0.235) 1.883 23.453 ( -0.822 0.000 0.568) 0.999 23.488 ( -1.718 0.000 -1.020) 1.998 24.346 ( 2.909 0.000 3.079) 4.236 24.403 ( -2.063 0.000 2.525) 3.261 24.452 ( 3.781 0.000 -2.195) 4.372 24.523 ( -3.198 0.000 -2.892) 4.311 24.732 ( 0.163 0.000 11.345) 11.346 24.806 ( -6.308 0.000 9.745) 11.608 25.087 ( -0.527 0.000 -7.199) 7.218 25.126 ( -4.160 0.000 -6.490) 7.709 26.437 ( 7.509 0.000 2.361) 7.871 26.462 ( 6.192 0.000 1.698) 6.421 26.571 ( -5.052 0.000 1.162) 5.184 26.580 ( -6.797 0.000 1.022) 6.874 27.161 ( 5.286 0.000 2.060) 5.673 27.238 ( -2.428 0.000 2.454) 3.452 27.343 ( 4.556 0.000 -6.723) 8.121 27.407 ( -1.827 0.000 -6.233) 6.495 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 5.868 34.665) 35.158 1.466 ( 0.000 16.382 28.376) 32.765 2.226 ( 0.000 26.593 31.684) 41.365 2.421 ( 0.000 -12.667 -0.103) 12.667 2.485 ( 0.000 4.137 -18.704) 19.156 2.494 ( 0.000 3.238 -20.469) 20.724 2.704 ( 0.000 0.106 -7.130) 7.131 2.706 ( 0.000 -13.638 11.836) 18.058 2.873 ( 0.000 -0.956 0.605) 1.131 2.939 ( 0.000 0.559 -2.766) 2.822 2.960 ( 0.000 0.339 -8.124) 8.131 3.030 ( 0.000 0.984 -8.172) 8.231 3.099 ( 0.000 0.713 -1.595) 1.747 3.298 ( 0.000 -2.860 2.520) 3.812 3.343 ( 0.000 -1.800 -18.225) 18.314 3.390 ( 0.000 -1.207 -1.250) 1.738 3.664 ( 0.000 3.880 5.877) 7.043 3.801 ( 0.000 -0.807 -2.437) 2.567 3.974 ( 0.000 2.296 -7.536) 7.878 4.049 ( 0.000 -1.143 -1.676) 2.028 4.116 ( 0.000 3.325 -3.377) 4.739 4.118 ( 0.000 -4.690 13.634) 14.418 4.235 ( 0.000 2.342 -5.725) 6.185 4.299 ( 0.000 3.401 -4.292) 5.476 4.378 ( 0.000 2.119 1.927) 2.864 4.485 ( 0.000 1.183 -11.408) 11.469 4.627 ( 0.000 -5.576 -14.522) 15.556 4.635 ( 0.000 7.536 -0.727) 7.571 4.777 ( 0.000 -2.579 -15.958) 16.165 5.046 ( 0.000 2.340 -14.466) 14.654 5.132 ( 0.000 0.169 2.267) 2.273 5.284 ( 0.000 -4.362 0.352) 4.376 5.426 ( 0.000 3.006 2.887) 4.167 5.493 ( 0.000 -1.144 5.053) 5.181 5.545 ( 0.000 -1.684 7.316) 7.507 5.608 ( 0.000 1.303 -2.103) 2.474 5.730 ( 0.000 -4.659 -6.900) 8.325 5.777 ( 0.000 1.654 -2.687) 3.155 5.788 ( 0.000 -4.204 0.648) 4.254 5.791 ( 0.000 -2.285 0.309) 2.306 5.947 ( 0.000 3.695 -1.381) 3.945 5.977 ( 0.000 -6.180 -0.437) 6.196 6.098 ( 0.000 -2.392 -5.726) 6.206 6.145 ( 0.000 -5.829 -3.755) 6.934 6.319 ( 0.000 2.473 6.894) 7.324 6.340 ( 0.000 -3.027 6.244) 6.939 6.358 ( 0.000 -4.758 6.417) 7.989 6.451 ( 0.000 -3.861 5.741) 6.919 6.648 ( 0.000 7.404 10.244) 12.639 6.674 ( 0.000 4.851 8.372) 9.676 6.825 ( 0.000 7.994 6.752) 10.464 6.939 ( 0.000 1.940 2.573) 3.223 6.975 ( 0.000 3.152 -4.291) 5.324 7.140 ( 0.000 0.809 -10.969) 10.999 7.204 ( 0.000 -1.151 3.785) 3.956 7.305 ( 0.000 1.606 -0.548) 1.697 7.780 ( 0.000 -3.398 2.309) 4.108 7.824 ( 0.000 -4.955 12.386) 13.341 7.845 ( 0.000 -2.902 -0.449) 2.937 8.101 ( 0.000 1.818 11.414) 11.558 8.242 ( 0.000 -9.777 -4.967) 10.967 8.355 ( 0.000 4.995 -2.128) 5.429 8.432 ( 0.000 -5.198 3.755) 6.413 8.476 ( 0.000 -15.702 -0.451) 15.708 8.657 ( 0.000 -1.612 1.636) 2.297 8.760 ( 0.000 4.351 -3.579) 5.633 8.848 ( 0.000 -1.261 0.326) 1.303 9.009 ( 0.000 1.730 -4.047) 4.401 9.246 ( 0.000 2.759 -0.902) 2.903 9.281 ( 0.000 5.026 4.912) 7.028 9.297 ( 0.000 10.201 -5.107) 11.408 9.562 ( 0.000 1.416 9.859) 9.961 9.572 ( 0.000 -2.119 -6.742) 7.067 9.608 ( 0.000 -1.360 0.362) 1.407 9.765 ( 0.000 4.472 3.092) 5.436 9.797 ( 0.000 6.374 -6.886) 9.384 10.093 ( 0.000 2.379 7.060) 7.450 10.233 ( 0.000 0.776 -5.320) 5.376 10.323 ( 0.000 2.571 -5.658) 6.215 10.386 ( 0.000 0.996 -6.130) 6.210 10.526 ( 0.000 1.130 6.672) 6.767 10.684 ( 0.000 4.184 -1.624) 4.488 10.819 ( 0.000 -1.393 7.610) 7.737 10.997 ( 0.000 0.869 7.437) 7.488 11.013 ( 0.000 -8.678 -1.167) 8.756 11.102 ( 0.000 -2.737 -1.264) 3.014 11.253 ( 0.000 2.499 -8.433) 8.796 11.314 ( 0.000 -1.521 -9.457) 9.579 11.665 ( 0.000 2.713 2.256) 3.529 11.729 ( 0.000 -1.570 7.675) 7.833 11.805 ( 0.000 1.673 -1.576) 2.299 11.831 ( 0.000 -1.010 3.464) 3.608 12.018 ( 0.000 -2.359 2.754) 3.626 12.078 ( 0.000 -3.072 -0.399) 3.098 12.118 ( 0.000 -1.080 -3.333) 3.504 12.146 ( 0.000 0.173 -4.574) 4.577 12.481 ( 0.000 0.589 7.017) 7.042 12.494 ( 0.000 3.308 2.313) 4.036 12.766 ( 0.000 0.460 1.827) 1.884 12.784 ( 0.000 -4.631 -7.495) 8.810 12.788 ( 0.000 -1.006 -10.424) 10.472 12.875 ( 0.000 1.375 0.218) 1.392 12.877 ( 0.000 -0.972 -3.250) 3.392 12.947 ( 0.000 1.668 -1.147) 2.024 13.106 ( 0.000 -7.120 5.878) 9.233 13.238 ( 0.000 -5.166 3.966) 6.513 13.360 ( 0.000 2.176 -4.655) 5.139 13.390 ( 0.000 -2.934 -2.787) 4.047 13.584 ( 0.000 2.318 3.937) 4.569 13.733 ( 0.000 3.356 -2.509) 4.190 13.745 ( 0.000 -0.432 -0.085) 0.440 13.787 ( 0.000 -1.221 9.009) 9.091 13.796 ( 0.000 -1.780 -1.345) 2.231 13.875 ( 0.000 -0.317 1.988) 2.013 13.979 ( 0.000 1.314 -2.802) 3.095 13.995 ( 0.000 -4.177 -2.248) 4.744 14.155 ( 0.000 3.473 4.480) 5.669 14.191 ( 0.000 -0.389 1.309) 1.365 14.241 ( 0.000 3.212 -1.433) 3.517 14.390 ( 0.000 11.546 -5.505) 12.791 14.471 ( 0.000 2.981 4.547) 5.437 14.581 ( 0.000 -5.248 5.363) 7.503 14.590 ( 0.000 3.347 -2.117) 3.960 14.751 ( 0.000 -3.854 0.349) 3.870 14.769 ( 0.000 0.007 3.156) 3.156 14.962 ( 0.000 -2.483 3.424) 4.230 14.996 ( 0.000 -1.624 -5.502) 5.737 15.007 ( 0.000 -4.346 0.088) 4.347 16.383 ( 0.000 4.216 6.829) 8.026 16.610 ( 0.000 1.072 -4.342) 4.472 16.664 ( 0.000 -1.659 1.439) 2.196 16.724 ( 0.000 -2.244 -1.338) 2.613 16.897 ( 0.000 -1.877 5.023) 5.362 16.945 ( 0.000 -0.867 0.581) 1.044 16.954 ( 0.000 0.018 0.297) 0.297 17.047 ( 0.000 -3.847 -1.471) 4.118 17.696 ( 0.000 7.000 -0.197) 7.002 17.776 ( 0.000 12.823 -5.675) 14.023 18.062 ( 0.000 -2.793 0.326) 2.812 18.120 ( 0.000 -0.616 -2.580) 2.652 18.906 ( 0.000 1.018 3.565) 3.708 19.006 ( 0.000 -1.196 0.774) 1.425 19.036 ( 0.000 -0.356 -0.715) 0.799 19.060 ( 0.000 -0.607 -4.166) 4.210 22.484 ( 0.000 3.947 0.815) 4.030 22.521 ( 0.000 3.224 -0.951) 3.361 22.768 ( 0.000 -3.039 1.791) 3.527 22.846 ( 0.000 -5.042 -2.100) 5.462 23.371 ( 0.000 0.815 1.205) 1.455 23.430 ( 0.000 2.321 -1.794) 2.934 23.439 ( 0.000 -1.350 1.381) 1.931 23.495 ( 0.000 0.665 -2.144) 2.245 24.308 ( 0.000 0.158 0.708) 0.725 24.346 ( 0.000 1.407 -0.820) 1.628 24.378 ( 0.000 0.079 5.068) 5.069 24.540 ( 0.000 -5.701 -1.249) 5.836 25.108 ( 0.000 2.345 3.721) 4.398 25.267 ( 0.000 -2.360 1.823) 2.982 25.274 ( 0.000 -1.373 -5.342) 5.516 25.380 ( 0.000 -4.030 -3.082) 5.073 26.165 ( 0.000 2.352 6.963) 7.349 26.334 ( 0.000 4.322 -2.051) 4.784 26.637 ( 0.000 -13.634 7.830) 15.722 26.755 ( 0.000 -7.709 0.351) 7.717 26.903 ( 0.000 4.149 0.457) 4.174 26.954 ( 0.000 1.937 -1.302) 2.335 27.164 ( 0.000 -2.533 1.143) 2.779 27.220 ( 0.000 -3.697 -1.613) 4.034 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.14 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.612 14.470 28.188) 31.726 1.629 ( 14.551 10.491 26.701) 32.167 2.386 ( 4.255 -4.771 3.894) 7.486 2.468 ( 3.576 1.201 -8.405) 9.213 2.526 ( 2.616 4.666 -18.645) 19.397 2.550 ( 11.318 8.736 -0.763) 14.318 2.669 ( -3.152 -2.657 -4.689) 6.243 2.733 ( 3.212 -4.770 9.452) 11.064 2.891 ( 0.766 -1.162 -3.350) 3.628 2.920 ( -1.348 1.527 -2.738) 3.412 2.959 ( 0.092 0.302 -3.602) 3.616 3.010 ( 0.165 -2.549 -6.028) 6.547 3.139 ( 3.673 0.764 -2.724) 4.636 3.246 ( -3.424 -1.942 -1.820) 4.337 3.335 ( -4.968 -1.566 -2.665) 5.851 3.397 ( 3.997 -3.403 -11.571) 12.706 3.622 ( -1.674 4.011 2.786) 5.163 3.820 ( -6.128 -1.039 -0.422) 6.230 3.872 ( -0.633 2.388 1.843) 3.082 3.993 ( -1.168 1.278 -1.242) 2.131 4.168 ( 2.430 -0.027 -2.846) 3.743 4.213 ( -0.730 0.614 -4.647) 4.744 4.265 ( 9.278 -4.250 8.216) 13.102 4.312 ( 5.399 5.299 -2.880) 8.094 4.450 ( 3.736 0.326 0.276) 3.761 4.564 ( 7.361 1.537 -5.348) 9.228 4.634 ( 3.963 1.964 -4.987) 6.666 4.681 ( 3.183 1.627 -11.448) 11.993 4.707 ( -4.752 -2.075 -11.416) 12.539 5.031 ( -2.130 -2.143 -9.707) 10.167 5.051 ( -6.912 4.618 2.088) 8.571 5.211 ( -6.043 -4.876 -0.906) 7.817 5.326 ( -11.429 2.546 2.055) 11.888 5.403 ( -3.418 1.218 2.452) 4.379 5.481 ( -4.283 -6.432 4.851) 9.123 5.575 ( -3.266 -4.474 -0.934) 5.618 5.708 ( -5.152 -2.983 2.429) 6.430 5.766 ( 0.071 0.266 -6.568) 6.574 5.817 ( -0.898 -0.971 -3.463) 3.707 5.872 ( 2.249 -1.415 -5.701) 6.290 5.945 ( 8.830 1.245 -0.882) 8.960 6.016 ( -0.999 -2.043 -2.741) 3.562 6.150 ( 9.376 -0.435 1.358) 9.483 6.220 ( 1.732 -0.251 0.303) 1.777 6.293 ( -2.426 0.368 7.895) 8.268 6.384 ( -5.932 -2.052 3.716) 7.294 6.442 ( 5.408 1.069 2.790) 6.179 6.475 ( 3.945 -0.401 1.893) 4.394 6.649 ( 2.507 2.111 7.257) 7.963 6.717 ( 4.077 2.554 9.373) 10.535 6.855 ( -3.537 2.045 0.113) 4.088 6.922 ( 6.764 2.721 4.269) 8.449 7.043 ( -1.370 1.465 -7.654) 7.913 7.079 ( 6.796 2.155 -3.082) 7.767 7.291 ( 3.854 -1.054 1.106) 4.146 7.344 ( 6.392 1.768 -2.025) 6.934 7.800 ( 1.373 -3.038 4.158) 5.330 7.853 ( 2.467 -4.826 7.986) 9.652 7.901 ( 5.172 -2.261 1.530) 5.848 8.102 ( 0.688 1.118 10.537) 10.619 8.266 ( 1.518 -10.122 -4.137) 11.040 8.365 ( 0.869 4.071 -1.058) 4.295 8.432 ( -2.227 -7.806 1.127) 8.196 8.466 ( 1.012 -3.291 2.343) 4.165 8.694 ( 3.480 -3.798 1.605) 5.396 8.736 ( -1.323 3.943 -1.868) 4.559 8.877 ( 1.754 -1.413 -0.086) 2.254 8.998 ( -0.147 0.778 -3.414) 3.504 9.179 ( -6.139 3.579 -0.327) 7.114 9.267 ( -3.043 9.963 -5.084) 11.591 9.303 ( 1.379 2.805 4.975) 5.875 9.478 ( -7.195 1.115 0.756) 7.320 9.539 ( -4.875 -1.810 6.153) 8.056 9.579 ( -0.944 -1.654 -1.456) 2.397 9.683 ( -6.056 2.786 0.801) 6.714 9.780 ( -2.534 5.885 -6.085) 8.837 10.093 ( 0.319 2.991 6.462) 7.128 10.288 ( 3.139 0.626 -4.558) 5.570 10.315 ( -1.011 0.624 0.109) 1.193 10.424 ( 2.901 1.643 -3.924) 5.149 10.544 ( 2.998 -0.787 -0.240) 3.108 10.646 ( -2.725 2.025 -2.054) 3.968 10.810 ( -2.539 -3.465 6.230) 7.567 10.927 ( 2.028 -1.441 4.892) 5.488 11.037 ( -4.551 -1.464 -2.209) 5.266 11.165 ( 6.452 -5.220 2.268) 8.603 11.265 ( 1.024 2.866 -7.650) 8.233 11.380 ( 4.351 -1.150 -8.751) 9.840 11.634 ( -3.112 2.383 3.597) 5.320 11.718 ( -0.843 -0.386 5.687) 5.762 11.788 ( -2.213 1.256 0.028) 2.545 11.845 ( 1.719 -1.251 0.913) 2.314 11.988 ( -2.731 -0.383 0.820) 2.877 12.068 ( -1.262 -3.124 -1.659) 3.756 12.093 ( -2.143 -0.348 -2.057) 2.991 12.145 ( 0.047 -0.164 -2.632) 2.638 12.442 ( -2.816 2.379 3.736) 5.249 12.515 ( 0.911 2.057 6.079) 6.482 12.724 ( -4.916 -3.714 -9.705) 11.496 12.785 ( -0.503 -1.481 -5.346) 5.570 12.827 ( 4.376 -0.054 0.297) 4.387 12.862 ( 3.974 0.573 -1.384) 4.246 12.959 ( 4.642 0.209 0.646) 4.691 12.985 ( 2.904 0.463 -0.307) 2.957 13.048 ( -4.011 -4.737 2.202) 6.586 13.211 ( -2.771 -1.685 -0.616) 3.301 13.321 ( -0.019 -1.376 0.336) 1.417 13.453 ( 1.411 -0.463 -2.520) 2.925 13.618 ( 3.494 1.189 2.856) 4.666 13.710 ( -1.283 1.457 -0.834) 2.113 13.759 ( 0.520 -0.082 -0.765) 0.929 13.766 ( -0.526 -0.258 5.886) 5.915 13.834 ( 2.210 -1.291 1.866) 3.167 13.926 ( 4.214 -1.228 0.840) 4.469 13.960 ( -1.700 -2.148 -0.456) 2.777 14.031 ( 2.640 1.885 -2.512) 4.103 14.148 ( 0.084 0.696 1.736) 1.872 14.208 ( 0.646 0.378 1.683) 1.842 14.244 ( 1.009 3.384 -1.669) 3.906 14.352 ( -2.885 7.263 -3.239) 8.460 14.468 ( -0.842 4.363 4.302) 6.185 14.558 ( -2.133 -1.154 1.947) 3.110 14.593 ( -0.353 0.952 0.074) 1.018 14.738 ( -1.390 1.026 3.936) 4.299 14.778 ( 1.377 -5.581 -1.676) 5.987 14.887 ( -5.725 -1.625 0.436) 5.968 14.980 ( -1.629 -3.671 0.036) 4.016 15.016 ( -0.564 -2.616 -2.332) 3.549 16.399 ( 1.648 4.045 7.087) 8.325 16.647 ( 3.276 0.117 -5.255) 6.194 16.661 ( -0.411 -1.235 2.008) 2.393 16.732 ( 0.824 -2.295 -1.441) 2.833 16.875 ( -2.178 -1.608 4.369) 5.140 16.906 ( -3.158 -0.543 0.859) 3.318 16.937 ( -1.336 0.761 0.164) 1.546 17.029 ( -1.982 -2.862 -1.759) 3.900 17.739 ( 4.130 6.141 -0.017) 7.400 17.809 ( 3.377 10.554 -4.209) 11.854 18.068 ( 0.520 -2.442 0.104) 2.499 18.117 ( -0.412 -0.472 -2.436) 2.515 18.906 ( 0.023 0.885 3.167) 3.288 18.999 ( -0.730 -1.176 0.650) 1.529 19.023 ( -1.212 -0.470 -0.547) 1.410 19.043 ( -1.603 -0.630 -3.659) 4.044 22.514 ( 2.823 3.864 1.000) 4.889 22.556 ( 3.449 2.981 -1.051) 4.678 22.768 ( -0.127 -2.256 2.016) 3.028 22.854 ( 0.560 -4.232 -2.299) 4.848 23.378 ( 0.650 0.495 1.031) 1.315 23.419 ( -0.402 0.723 -0.164) 0.844 23.450 ( 0.411 -0.321 -0.074) 0.526 23.503 ( 0.584 0.184 -2.684) 2.753 24.307 ( -0.110 0.317 1.515) 1.551 24.351 ( 0.889 1.014 -0.151) 1.357 24.388 ( 0.923 0.084 4.340) 4.438 24.536 ( -0.502 -5.222 -1.326) 5.411 25.049 ( -6.020 3.152 4.311) 8.047 25.139 ( -10.200 0.027 5.742) 11.705 25.227 ( -4.634 -1.691 -4.887) 6.944 25.322 ( -5.252 -3.461 -3.570) 7.232 26.224 ( 5.307 2.112 5.875) 8.194 26.265 ( -1.201 2.667 5.036) 5.824 26.687 ( -0.579 -5.990 1.261) 6.149 26.741 ( -1.522 -6.293 -0.391) 6.486 26.948 ( 4.440 3.429 0.288) 5.617 27.038 ( 7.966 -1.739 -5.090) 9.612 27.199 ( 2.602 -2.383 1.160) 3.714 27.271 ( 4.435 -4.962 -2.122) 6.985 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.29 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 14.510 13.527 11.954) 23.160 1.986 ( 20.212 6.808 18.305) 28.106 2.407 ( -1.143 -7.274 -3.113) 7.994 2.473 ( -1.762 0.486 -25.862) 25.927 2.513 ( -8.044 2.104 -6.950) 10.837 2.617 ( 2.920 3.384 -11.672) 12.499 2.676 ( 1.330 -4.332 1.477) 4.767 2.820 ( 1.996 2.656 -8.394) 9.028 2.854 ( -2.258 -2.816 -3.719) 5.182 2.912 ( -2.012 -1.759 -1.622) 3.126 2.998 ( 0.345 -5.389 -5.364) 7.612 3.100 ( 4.168 0.958 4.984) 6.567 3.149 ( -3.167 -2.371 -6.055) 7.233 3.249 ( 3.916 2.155 -3.867) 5.910 3.251 ( 0.466 0.968 -3.596) 3.753 3.424 ( -5.501 -0.722 -11.801) 13.040 3.683 ( 2.640 -2.044 2.007) 3.896 3.697 ( 10.123 2.070 2.753) 10.693 4.006 ( 5.242 0.843 -0.439) 5.328 4.043 ( 9.096 0.341 -0.106) 9.103 4.146 ( 4.189 0.749 5.621) 7.050 4.321 ( 5.971 0.987 1.221) 6.174 4.382 ( 2.937 -4.272 2.124) 5.602 4.486 ( 7.520 -1.591 4.211) 8.764 4.508 ( 2.555 -1.212 -2.015) 3.472 4.640 ( -1.059 -1.730 -3.837) 4.340 4.666 ( 2.432 -1.211 4.244) 5.039 4.744 ( 5.283 -0.337 3.152) 6.161 4.804 ( 5.348 4.846 -4.548) 8.530 4.914 ( -5.446 -3.058 0.468) 6.263 4.933 ( -5.768 1.146 -5.867) 8.307 5.058 ( -9.528 2.623 -0.593) 9.900 5.157 ( -4.078 2.015 -6.572) 7.992 5.325 ( -2.969 -1.430 -3.787) 5.020 5.435 ( -0.191 -5.724 6.128) 8.387 5.514 ( -3.084 -2.484 -5.420) 6.712 5.614 ( -5.214 0.962 5.059) 7.328 5.640 ( -9.701 0.855 1.094) 9.800 5.804 ( 1.337 2.583 -0.891) 3.042 5.852 ( -5.052 -2.944 -2.403) 6.321 6.033 ( -0.043 0.441 -0.115) 0.457 6.123 ( -3.462 1.209 2.632) 4.513 6.164 ( 8.779 -1.321 -2.012) 9.103 6.216 ( -3.598 2.061 -0.542) 4.181 6.296 ( -1.251 1.643 2.526) 3.263 6.336 ( 1.899 3.592 -0.143) 4.065 6.477 ( -0.243 3.481 1.008) 3.633 6.525 ( 2.261 2.799 0.713) 3.668 6.693 ( 2.098 0.345 -0.155) 2.131 6.765 ( -2.007 0.301 -1.118) 2.316 6.819 ( -1.107 -2.177 -1.556) 2.896 6.851 ( -3.683 -1.033 -3.885) 5.452 7.242 ( 9.608 1.435 0.248) 9.718 7.294 ( 15.752 3.205 -1.444) 16.139 7.392 ( 7.973 0.228 4.299) 9.061 7.524 ( 9.407 0.383 -0.835) 9.452 7.817 ( -0.008 -3.728 6.433) 7.435 7.892 ( 1.073 -3.428 7.039) 7.903 8.004 ( 3.925 -1.232 -0.653) 4.165 8.155 ( 5.182 1.609 8.891) 10.416 8.245 ( -5.405 -8.167 -5.592) 11.277 8.323 ( -3.092 1.435 1.721) 3.818 8.427 ( 1.260 2.428 2.875) 3.969 8.511 ( 3.702 2.124 -0.776) 4.339 8.706 ( -1.207 3.207 0.913) 3.546 8.791 ( 4.466 -3.230 -2.260) 5.957 8.888 ( -1.513 -1.989 1.683) 3.013 9.019 ( 2.256 -1.138 0.359) 2.552 9.054 ( -4.817 3.121 -0.799) 5.795 9.194 ( -3.167 7.318 -4.138) 8.983 9.299 ( -2.589 -1.403 4.721) 5.565 9.342 ( -4.266 -0.595 0.941) 4.409 9.465 ( -3.118 -1.711 5.795) 6.799 9.522 ( -3.945 -2.258 -0.103) 4.546 9.553 ( -6.802 -0.628 0.863) 6.885 9.719 ( -3.857 0.890 -6.413) 7.537 10.108 ( 1.241 3.824 6.696) 7.810 10.270 ( -3.202 0.741 6.941) 7.680 10.307 ( -0.000 -0.236 -3.045) 3.054 10.501 ( 1.278 -2.641 -4.095) 5.038 10.552 ( -0.049 0.328 0.701) 0.776 10.689 ( 6.631 0.574 -6.350) 9.199 10.769 ( -1.140 -2.522 2.975) 4.064 10.947 ( -2.875 -2.973 -6.589) 7.780 11.027 ( 5.579 -1.130 5.869) 8.176 11.235 ( 1.072 -5.421 0.144) 5.528 11.285 ( 0.428 0.960 -3.039) 3.216 11.425 ( -0.763 -2.730 -6.276) 6.886 11.579 ( -1.456 5.386 4.038) 6.887 11.687 ( -2.263 2.128 4.625) 5.572 11.749 ( -0.740 0.268 -2.529) 2.649 11.863 ( -0.908 -1.290 -4.076) 4.370 11.948 ( -0.009 1.681 0.721) 1.830 12.026 ( -2.368 -1.484 -2.655) 3.855 12.059 ( -1.841 -0.709 1.419) 2.430 12.131 ( -1.828 -0.380 -2.774) 3.343 12.415 ( 0.864 3.476 3.888) 5.286 12.519 ( -0.198 3.063 5.242) 6.074 12.622 ( -4.897 -0.575 -4.742) 6.841 12.731 ( -4.441 0.271 -3.748) 5.817 12.900 ( 2.291 -2.498 2.124) 4.000 12.963 ( -0.225 -1.976 3.526) 4.048 13.025 ( 5.485 -3.328 -2.746) 6.978 13.048 ( 2.830 -1.002 -1.665) 3.433 13.085 ( 8.843 1.303 -0.980) 8.993 13.188 ( 0.866 2.111 -3.504) 4.181 13.306 ( -1.820 -0.743 2.471) 3.158 13.451 ( -1.141 -0.018 -2.297) 2.565 13.687 ( 0.376 0.001 2.349) 2.379 13.707 ( 3.873 0.482 1.263) 4.102 13.765 ( -0.384 1.455 5.314) 5.523 13.766 ( 0.881 -1.323 0.506) 1.668 13.863 ( -0.253 -1.022 1.971) 2.234 13.916 ( -0.158 0.279 0.564) 0.649 14.017 ( 2.834 -0.023 -2.132) 3.547 14.056 ( -1.127 0.081 -3.409) 3.591 14.171 ( 2.302 1.539 0.239) 2.779 14.208 ( 0.702 1.586 1.227) 2.125 14.283 ( 1.482 2.788 -0.988) 3.308 14.318 ( 0.427 0.587 -0.197) 0.752 14.429 ( -2.956 4.229 4.533) 6.868 14.500 ( -3.501 -1.152 1.645) 4.036 14.572 ( -1.317 3.488 -2.291) 4.376 14.713 ( -1.982 -1.451 1.266) 2.763 14.770 ( -3.834 0.269 0.366) 3.861 14.811 ( 0.591 -6.532 -0.167) 6.561 14.939 ( -2.150 -2.999 -0.622) 3.742 14.984 ( -2.292 -2.775 -2.319) 4.281 16.445 ( 2.888 3.604 7.612) 8.903 16.640 ( -1.949 0.260 4.208) 4.644 16.715 ( 3.034 -1.427 -5.305) 6.276 16.749 ( 0.624 -3.018 -1.138) 3.285 16.830 ( -1.252 -0.293 1.940) 2.328 16.857 ( -1.689 0.103 0.903) 1.917 16.904 ( -1.908 1.102 -0.689) 2.308 16.975 ( -3.162 -1.426 -2.186) 4.100 17.842 ( 5.903 4.407 0.129) 7.368 17.898 ( 5.231 6.291 -2.687) 8.611 18.075 ( -0.052 -1.424 -0.486) 1.506 18.097 ( -1.688 0.084 -1.777) 2.452 18.909 ( 0.420 0.529 2.234) 2.334 18.981 ( -0.926 -1.061 0.228) 1.426 18.992 ( -1.859 -0.561 -0.181) 1.950 19.006 ( -1.900 -0.677 -2.449) 3.172 22.585 ( 4.188 3.488 1.493) 5.651 22.646 ( 5.309 2.275 -1.410) 5.945 22.758 ( -0.953 -0.464 2.406) 2.630 22.857 ( -0.519 -2.450 -2.453) 3.505 23.396 ( 1.147 -0.091 0.619) 1.306 23.420 ( 0.613 -0.223 0.024) 0.652 23.452 ( -0.173 -0.569 -0.139) 0.611 23.506 ( -0.512 -0.544 -2.689) 2.791 24.314 ( 1.084 0.727 2.936) 3.213 24.384 ( 2.258 0.080 -0.029) 2.259 24.411 ( 1.167 -0.039 3.044) 3.260 24.517 ( -1.400 -4.276 -0.726) 4.557 24.890 ( -8.115 5.606 6.636) 11.888 24.964 ( -7.508 1.470 7.189) 10.498 25.124 ( -4.939 -2.082 -5.318) 7.551 25.203 ( -6.229 -3.039 -4.464) 8.244 26.316 ( 5.575 1.801 4.718) 7.522 26.349 ( 6.713 1.730 3.738) 7.876 26.640 ( -3.216 -2.432 0.422) 4.054 26.681 ( -4.335 -2.176 -0.365) 4.864 27.055 ( 5.903 1.906 0.801) 6.255 27.188 ( 6.293 -3.194 -5.196) 8.764 27.241 ( 1.543 -1.873 0.195) 2.435 27.349 ( 2.595 -5.299 -4.239) 7.265 ======================= Grid point 80 (32/48) ======================= q-point: ( 0.43 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 20.227 7.879 -2.556) 21.857 2.237 ( -14.662 2.748 -7.433) 16.667 2.323 ( 5.341 5.101 -3.800) 8.306 2.377 ( -2.759 -1.888 -11.505) 11.981 2.491 ( 9.266 -2.687 -10.262) 14.085 2.683 ( -3.159 -1.581 -1.426) 3.810 2.700 ( 4.123 1.803 -5.632) 7.209 2.785 ( -4.181 -1.569 -3.577) 5.722 2.865 ( -1.292 -3.552 0.626) 3.831 2.872 ( 2.952 -0.872 -3.308) 4.519 2.903 ( -4.341 -5.095 -4.606) 8.125 3.007 ( -7.868 -1.856 -5.310) 9.672 3.228 ( 2.755 1.024 -6.265) 6.921 3.257 ( -2.200 1.227 -8.980) 9.326 3.284 ( 3.421 2.296 -9.111) 9.999 3.340 ( -1.477 2.689 -10.688) 11.119 3.866 ( 12.222 -5.304 2.825) 13.620 3.938 ( 11.924 -5.372 3.588) 13.561 4.069 ( -4.240 -5.613 -0.410) 7.046 4.086 ( -1.288 -5.121 -4.103) 6.687 4.302 ( 3.023 0.444 6.163) 6.879 4.391 ( -0.281 -0.590 8.285) 8.310 4.494 ( 7.772 -2.897 2.680) 8.716 4.523 ( 1.329 -0.706 -2.313) 2.759 4.570 ( 0.056 -1.814 0.889) 2.021 4.628 ( -3.265 -3.692 3.661) 6.139 4.685 ( 2.743 2.800 -1.535) 4.209 4.791 ( -1.655 -3.441 1.399) 4.067 4.825 ( 0.639 -0.062 2.769) 2.843 4.849 ( 1.920 5.750 3.552) 7.026 4.881 ( 5.244 0.670 3.247) 6.204 5.046 ( 4.686 0.576 3.243) 5.728 5.051 ( -6.990 -4.488 -2.601) 8.704 5.294 ( -12.319 9.095 8.339) 17.436 5.337 ( -3.187 5.699 -3.373) 7.349 5.413 ( -5.668 1.183 3.207) 6.619 5.562 ( 5.710 1.897 3.720) 7.074 5.605 ( 5.058 -3.875 -2.204) 6.742 5.743 ( -5.070 0.128 0.189) 5.075 5.810 ( -7.145 -0.429 -2.409) 7.552 5.993 ( 5.187 1.805 7.783) 9.525 6.108 ( -3.118 0.735 1.953) 3.752 6.175 ( -0.424 0.931 2.146) 2.378 6.198 ( -1.918 1.533 2.790) 3.716 6.350 ( 3.702 1.478 -6.498) 7.623 6.378 ( 6.162 3.229 -4.279) 8.167 6.465 ( -4.632 5.489 -7.563) 10.431 6.488 ( -3.940 4.420 -6.781) 9.002 6.724 ( 0.566 -1.045 -3.189) 3.404 6.736 ( -1.374 -1.534 -4.487) 4.937 6.764 ( 1.486 -1.559 -5.617) 6.016 6.821 ( -3.133 -2.818 -6.829) 8.024 7.445 ( 9.697 0.622 4.593) 10.748 7.526 ( 6.098 1.449 5.919) 8.621 7.563 ( 6.510 3.670 3.363) 8.195 7.641 ( 1.271 -0.795 3.428) 3.742 7.814 ( 1.684 -3.581 5.915) 7.117 7.888 ( -2.281 -0.493 3.076) 3.861 8.031 ( 0.244 0.797 -2.797) 2.919 8.098 ( -6.654 2.082 -2.289) 7.339 8.281 ( 5.085 1.214 6.610) 8.428 8.308 ( 0.848 2.163 3.659) 4.334 8.446 ( 2.543 3.148 0.012) 4.047 8.556 ( -3.720 -0.807 -4.024) 5.540 8.687 ( 2.801 4.458 3.858) 6.527 8.792 ( -5.992 0.365 2.402) 6.466 8.871 ( 4.151 1.341 -4.822) 6.503 8.965 ( -5.078 4.318 -4.195) 7.876 9.128 ( 6.747 -3.311 3.134) 8.143 9.180 ( 1.306 -1.347 0.673) 1.993 9.237 ( -2.009 -4.244 3.228) 5.698 9.301 ( -3.163 -0.303 0.946) 3.315 9.402 ( -1.788 -4.026 3.049) 5.357 9.425 ( -4.472 -5.003 4.236) 7.936 9.505 ( 2.582 -3.672 -1.464) 4.721 9.613 ( -6.669 -3.844 -4.554) 8.944 10.144 ( 2.487 3.709 7.463) 8.697 10.204 ( -3.387 2.334 8.173) 9.150 10.331 ( 2.836 -1.325 -1.206) 3.355 10.416 ( -5.416 -3.359 -0.835) 6.428 10.647 ( 5.513 1.438 0.292) 5.705 10.731 ( -2.710 -0.349 0.927) 2.886 10.816 ( 5.056 -0.467 -7.904) 9.394 10.895 ( -2.909 -1.881 -7.718) 8.460 11.161 ( 7.948 -3.306 2.041) 8.846 11.248 ( 1.098 -5.113 -1.610) 5.472 11.275 ( -1.305 -4.407 0.472) 4.620 11.328 ( -7.945 -3.969 -1.032) 8.941 11.594 ( 2.083 6.722 2.632) 7.513 11.639 ( -2.454 5.817 1.881) 6.588 11.770 ( 2.464 -0.465 -5.459) 6.007 11.824 ( -2.589 -1.252 -7.003) 7.570 11.978 ( 1.700 1.702 0.908) 2.571 12.004 ( 1.435 -0.406 -0.781) 1.683 12.014 ( -2.392 -0.071 1.470) 2.808 12.071 ( -3.923 -0.323 -2.233) 4.526 12.481 ( 5.308 3.409 2.175) 6.673 12.519 ( 0.623 3.823 2.876) 4.825 12.546 ( -2.621 2.694 -0.001) 3.759 12.616 ( -6.834 2.668 -0.859) 7.387 12.938 ( 2.780 -2.018 3.628) 4.996 12.982 ( -0.353 -2.779 2.217) 3.573 13.064 ( 0.825 -4.733 -1.565) 5.053 13.077 ( 0.053 -3.743 -1.639) 4.086 13.215 ( 2.758 3.600 -0.160) 4.538 13.262 ( -2.178 2.302 1.738) 3.615 13.295 ( 8.182 0.408 -3.817) 9.038 13.409 ( -3.516 -0.154 -3.096) 4.687 13.700 ( 1.465 0.444 3.916) 4.205 13.737 ( -1.896 0.810 5.274) 5.662 13.776 ( 1.927 -1.352 2.875) 3.716 13.806 ( 0.317 -0.978 0.020) 1.028 13.853 ( 3.640 0.878 2.467) 4.484 13.959 ( 2.962 1.621 -2.733) 4.344 13.974 ( -5.832 0.524 -2.132) 6.231 14.021 ( -2.342 1.555 -4.276) 5.118 14.214 ( 2.745 1.281 1.986) 3.622 14.265 ( -0.357 -0.123 2.031) 2.066 14.288 ( 2.996 2.503 -0.129) 3.906 14.353 ( 0.226 0.047 -2.641) 2.651 14.375 ( -0.549 1.545 4.759) 5.034 14.429 ( -3.568 -1.126 1.674) 4.099 14.566 ( 1.302 3.318 -3.287) 4.849 14.629 ( -4.743 -0.131 -2.996) 5.612 14.762 ( 1.622 -1.114 3.954) 4.417 14.802 ( -1.776 -4.935 1.045) 5.348 14.917 ( 0.228 -3.040 -2.442) 3.906 14.940 ( -1.898 -3.665 -2.715) 4.940 16.509 ( 3.625 2.992 7.755) 9.068 16.582 ( -3.628 2.052 6.775) 7.954 16.750 ( 0.591 -3.142 -1.291) 3.448 16.755 ( 0.094 -3.412 -0.853) 3.518 16.836 ( 0.844 0.487 -0.084) 0.978 16.851 ( 0.868 1.242 -2.874) 3.249 16.870 ( -0.598 0.563 -1.185) 1.442 16.913 ( -3.068 -0.561 -2.797) 4.189 17.956 ( 5.387 2.642 -0.142) 6.002 17.995 ( 4.207 2.752 -1.893) 5.371 18.046 ( -3.540 1.185 -0.900) 3.840 18.058 ( -1.955 0.287 -1.247) 2.336 18.925 ( 1.187 0.041 1.216) 1.700 18.955 ( -1.822 -0.384 0.393) 1.903 18.968 ( -0.224 -0.877 -0.411) 0.995 18.976 ( -1.022 -0.755 -1.231) 1.770 22.666 ( 3.760 2.662 2.095) 5.060 22.726 ( -2.326 1.327 2.478) 3.649 22.749 ( 4.830 1.099 -1.926) 5.315 22.826 ( -2.765 -0.538 -2.335) 3.659 23.419 ( 1.091 -0.712 0.411) 1.367 23.434 ( -0.104 -1.114 0.330) 1.167 23.452 ( 1.002 -0.467 -0.817) 1.375 23.483 ( -1.629 -0.722 -1.738) 2.489 24.352 ( 2.700 0.686 3.137) 4.195 24.401 ( -1.479 0.015 2.606) 2.997 24.444 ( 2.531 -0.946 -0.539) 2.755 24.486 ( -1.684 -2.920 -0.210) 3.377 24.792 ( -1.285 5.306 7.281) 9.101 24.836 ( -5.105 3.053 7.440) 9.525 25.064 ( -0.743 -2.396 -5.866) 6.380 25.098 ( -3.992 -2.835 -5.367) 7.264 26.446 ( 7.027 0.954 2.733) 7.600 26.473 ( 5.696 1.026 2.012) 6.127 26.568 ( -4.281 -0.314 0.930) 4.392 26.579 ( -5.959 -0.179 0.797) 6.015 27.161 ( 4.526 0.276 1.277) 4.711 27.224 ( -1.667 -1.173 1.581) 2.580 27.307 ( 4.111 -3.334 -5.782) 7.839 27.362 ( -1.221 -4.287 -5.232) 6.874 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 17.867 22.256) 28.540 1.814 ( 0.000 13.160 18.871) 23.007 2.116 ( 0.000 -11.393 12.042) 16.577 2.327 ( 0.000 -18.829 13.757) 23.319 2.576 ( 0.000 6.760 -16.021) 17.389 2.628 ( 0.000 7.475 -16.790) 18.379 2.678 ( 0.000 -2.085 -13.023) 13.189 2.763 ( 0.000 8.082 5.950) 10.036 2.822 ( 0.000 3.418 -1.660) 3.800 2.939 ( 0.000 -2.421 -3.651) 4.380 2.968 ( 0.000 5.012 3.906) 6.354 3.061 ( 0.000 1.808 -8.137) 8.336 3.098 ( 0.000 -0.762 -8.416) 8.451 3.184 ( 0.000 -9.826 4.812) 10.941 3.324 ( 0.000 0.396 -11.036) 11.043 3.355 ( 0.000 -2.231 -5.129) 5.593 3.766 ( 0.000 6.112 5.540) 8.250 3.821 ( 0.000 1.652 4.677) 4.961 3.958 ( 0.000 -4.904 4.916) 6.944 3.972 ( 0.000 -4.300 7.576) 8.712 4.075 ( 0.000 2.598 -2.218) 3.416 4.142 ( 0.000 -2.975 -4.560) 5.445 4.310 ( 0.000 7.710 -4.930) 9.151 4.402 ( 0.000 -0.423 0.894) 0.989 4.414 ( 0.000 4.121 -9.767) 10.601 4.504 ( 0.000 -6.740 -14.189) 15.708 4.554 ( 0.000 6.839 -10.508) 12.537 4.691 ( 0.000 -6.131 -13.325) 14.668 4.805 ( 0.000 10.002 -0.858) 10.039 5.011 ( 0.000 -10.648 1.756) 10.792 5.122 ( 0.000 5.832 -12.882) 14.141 5.244 ( 0.000 -4.186 -7.724) 8.786 5.437 ( 0.000 1.091 4.660) 4.785 5.477 ( 0.000 -1.066 6.187) 6.278 5.556 ( 0.000 0.844 4.873) 4.946 5.590 ( 0.000 -3.094 -0.020) 3.094 5.678 ( 0.000 1.867 -5.560) 5.865 5.725 ( 0.000 -1.042 0.704) 1.258 5.750 ( 0.000 -2.299 -3.295) 4.017 5.763 ( 0.000 -2.598 -1.445) 2.973 5.920 ( 0.000 0.240 2.729) 2.740 5.962 ( 0.000 -3.150 1.501) 3.489 6.054 ( 0.000 -0.982 -4.901) 4.999 6.057 ( 0.000 -1.023 -5.757) 5.848 6.293 ( 0.000 -1.404 6.912) 7.053 6.299 ( 0.000 -1.964 6.592) 6.878 6.360 ( 0.000 1.508 5.702) 5.898 6.388 ( 0.000 -2.089 5.475) 5.860 6.742 ( 0.000 2.425 9.988) 10.278 6.755 ( 0.000 2.077 11.133) 11.325 6.972 ( 0.000 7.391 4.991) 8.919 7.032 ( 0.000 1.645 -1.957) 2.556 7.034 ( 0.000 5.338 1.911) 5.669 7.141 ( 0.000 -5.763 3.698) 6.847 7.198 ( 0.000 6.461 -10.322) 12.177 7.309 ( 0.000 -2.442 -4.172) 4.834 7.722 ( 0.000 -1.955 3.530) 4.035 7.732 ( 0.000 -3.327 7.307) 8.029 7.810 ( 0.000 1.096 -1.283) 1.688 7.956 ( 0.000 -14.207 -3.153) 14.553 8.151 ( 0.000 3.448 9.558) 10.161 8.249 ( 0.000 -7.619 5.298) 9.280 8.434 ( 0.000 1.625 -1.205) 2.023 8.439 ( 0.000 2.257 -4.620) 5.142 8.664 ( 0.000 3.366 7.078) 7.837 8.770 ( 0.000 -6.028 5.754) 8.333 8.864 ( 0.000 6.114 -3.690) 7.141 8.974 ( 0.000 -4.641 -2.872) 5.458 9.301 ( 0.000 3.035 0.104) 3.037 9.339 ( 0.000 0.028 1.828) 1.829 9.447 ( 0.000 5.246 -6.664) 8.482 9.522 ( 0.000 -3.039 -6.964) 7.598 9.604 ( 0.000 1.773 8.639) 8.819 9.607 ( 0.000 0.851 6.347) 6.404 9.862 ( 0.000 3.853 -1.798) 4.252 9.883 ( 0.000 1.740 -5.324) 5.601 10.191 ( 0.000 7.023 0.217) 7.026 10.264 ( 0.000 1.191 -3.304) 3.513 10.341 ( 0.000 -0.409 -5.490) 5.505 10.373 ( 0.000 -2.483 -6.544) 6.999 10.595 ( 0.000 6.382 6.942) 9.430 10.750 ( 0.000 -7.344 4.866) 8.809 10.762 ( 0.000 3.449 -0.567) 3.496 10.835 ( 0.000 -6.352 2.285) 6.751 11.025 ( 0.000 2.042 5.723) 6.076 11.064 ( 0.000 -1.763 1.159) 2.110 11.271 ( 0.000 0.138 -8.356) 8.357 11.284 ( 0.000 -1.299 -7.891) 7.997 11.731 ( 0.000 3.326 3.059) 4.519 11.736 ( 0.000 1.847 6.782) 7.029 11.820 ( 0.000 -0.734 3.010) 3.098 11.826 ( 0.000 -0.827 4.595) 4.669 11.987 ( 0.000 0.150 0.982) 0.993 12.012 ( 0.000 -2.409 0.704) 2.510 12.092 ( 0.000 -1.008 -4.458) 4.571 12.112 ( 0.000 -2.778 -6.477) 7.048 12.508 ( 0.000 1.833 1.936) 2.666 12.530 ( 0.000 0.102 0.213) 0.236 12.709 ( 0.000 -2.362 -8.783) 9.095 12.709 ( 0.000 -2.358 -8.782) 9.093 12.864 ( 0.000 2.348 0.283) 2.365 12.881 ( 0.000 3.775 -0.552) 3.815 12.889 ( 0.000 -0.608 1.441) 1.564 12.955 ( 0.000 -1.990 -0.906) 2.187 13.029 ( 0.000 0.900 7.495) 7.549 13.115 ( 0.000 -6.567 5.122) 8.328 13.349 ( 0.000 -0.832 -4.537) 4.612 13.359 ( 0.000 -1.306 -6.894) 7.016 13.649 ( 0.000 4.330 4.681) 6.376 13.735 ( 0.000 -3.794 3.032) 4.856 13.745 ( 0.000 -0.233 1.860) 1.875 13.750 ( 0.000 -0.365 2.311) 2.340 13.839 ( 0.000 4.443 2.031) 4.886 13.874 ( 0.000 0.247 1.321) 1.344 13.935 ( 0.000 -1.734 -2.564) 3.095 13.961 ( 0.000 -3.112 -2.439) 3.954 14.219 ( 0.000 2.513 2.561) 3.588 14.227 ( 0.000 2.415 6.329) 6.774 14.335 ( 0.000 6.486 -2.012) 6.791 14.466 ( 0.000 -6.047 -1.923) 6.345 14.525 ( 0.000 2.237 4.186) 4.746 14.557 ( 0.000 1.146 0.995) 1.518 14.658 ( 0.000 0.194 -2.832) 2.838 14.660 ( 0.000 2.790 -2.352) 3.650 14.803 ( 0.000 2.305 3.736) 4.390 14.890 ( 0.000 -5.748 1.309) 5.895 14.929 ( 0.000 -1.538 0.488) 1.614 14.948 ( 0.000 -2.733 -2.663) 3.816 16.486 ( 0.000 6.133 4.210) 7.439 16.600 ( 0.000 -5.159 1.545) 5.385 16.637 ( 0.000 1.714 -3.079) 3.524 16.675 ( 0.000 -2.276 -1.647) 2.809 16.885 ( 0.000 0.716 4.022) 4.085 16.913 ( 0.000 -1.883 2.032) 2.771 16.967 ( 0.000 1.008 -0.231) 1.034 16.993 ( 0.000 -1.875 -0.746) 2.018 17.847 ( 0.000 7.938 1.109) 8.015 17.981 ( 0.000 -5.707 1.116) 5.815 17.985 ( 0.000 8.116 -6.733) 10.545 18.088 ( 0.000 -3.043 -4.418) 5.365 18.934 ( 0.000 1.876 2.501) 3.126 18.974 ( 0.000 -2.058 1.427) 2.504 19.035 ( 0.000 0.286 -1.846) 1.868 19.046 ( 0.000 -0.769 -3.254) 3.343 22.588 ( 0.000 6.432 0.340) 6.441 22.601 ( 0.000 4.884 -0.135) 4.886 22.692 ( 0.000 -4.691 1.016) 4.800 22.725 ( 0.000 -7.104 -0.726) 7.141 23.392 ( 0.000 1.211 1.291) 1.770 23.415 ( 0.000 -1.163 1.494) 1.893 23.473 ( 0.000 1.892 -3.255) 3.765 23.497 ( 0.000 -0.536 -3.462) 3.503 24.333 ( 0.000 2.660 2.939) 3.964 24.370 ( 0.000 1.049 0.930) 1.402 24.377 ( 0.000 -0.447 3.221) 3.252 24.421 ( 0.000 -5.636 3.327) 6.545 25.175 ( 0.000 4.472 0.546) 4.505 25.234 ( 0.000 -0.907 -1.160) 1.472 25.247 ( 0.000 -1.047 -3.872) 4.011 25.283 ( 0.000 -5.412 -2.314) 5.886 26.239 ( 0.000 5.544 9.318) 10.843 26.389 ( 0.000 -10.495 11.341) 15.452 26.446 ( 0.000 7.163 -2.183) 7.489 26.598 ( 0.000 -8.324 -1.361) 8.435 27.000 ( 0.000 5.736 -0.040) 5.736 27.021 ( 0.000 4.495 -0.687) 4.547 27.098 ( 0.000 -4.261 0.331) 4.274 27.125 ( 0.000 -5.851 -0.962) 5.930 ======================= Grid point 85 (34/48) ======================= q-point: ( 0.14 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 5.390 19.368 17.338) 26.548 1.900 ( 9.137 11.328 17.423) 22.702 2.140 ( 2.623 -10.574 9.889) 14.713 2.354 ( 2.860 -17.855 12.906) 22.216 2.574 ( -0.072 5.009 -16.968) 17.692 2.636 ( -1.034 1.665 -14.841) 14.970 2.683 ( 0.795 3.669 -12.585) 13.133 2.810 ( 1.917 -5.381 -6.810) 8.889 2.865 ( 1.593 6.129 -2.096) 6.670 2.927 ( -0.762 -1.311 -2.794) 3.179 3.019 ( 3.868 8.438 3.627) 9.966 3.025 ( -0.857 4.189 -5.941) 7.319 3.109 ( -0.065 -3.937 -10.100) 10.840 3.192 ( 2.005 -5.575 2.726) 6.521 3.298 ( -3.227 -0.436 -5.732) 6.592 3.332 ( 0.467 -2.963 -8.155) 8.689 3.724 ( -2.925 5.174 4.705) 7.580 3.792 ( -5.879 -2.158 3.693) 7.270 3.946 ( 5.546 5.938 6.714) 10.540 4.030 ( -1.188 1.843 -7.659) 7.966 4.110 ( 4.838 -4.942 5.328) 8.730 4.134 ( 3.282 -5.646 3.100) 7.229 4.298 ( 0.688 5.398 -0.740) 5.491 4.401 ( -0.912 -4.170 1.027) 4.390 4.447 ( 2.417 6.482 -7.699) 10.350 4.571 ( 3.330 -5.504 -10.461) 12.281 4.626 ( 6.851 3.820 -6.719) 10.328 4.673 ( 0.026 -1.349 -8.253) 8.363 4.817 ( 1.118 8.453 -3.581) 9.248 4.958 ( -4.056 -5.600 -1.024) 6.990 5.102 ( -0.689 0.778 -9.593) 9.650 5.162 ( -7.761 -1.968 -4.144) 9.015 5.300 ( -8.908 -2.954 5.678) 10.969 5.372 ( -11.272 -3.892 2.937) 12.281 5.428 ( -4.740 2.606 -2.019) 5.773 5.502 ( -3.911 -2.514 -1.457) 4.872 5.706 ( -1.193 2.162 1.251) 2.769 5.751 ( -0.374 -1.694 -2.320) 2.897 5.806 ( 2.789 0.040 -4.347) 5.165 5.831 ( 1.545 -2.368 -4.310) 5.155 5.952 ( 4.999 0.581 5.053) 7.132 5.989 ( 3.071 -1.950 5.135) 6.293 6.137 ( 7.159 1.385 -3.748) 8.199 6.192 ( 9.839 -3.030 -3.143) 10.764 6.314 ( -0.683 1.371 8.828) 8.959 6.342 ( -1.949 -1.540 9.103) 9.436 6.459 ( 9.343 1.477 0.813) 9.494 6.488 ( 9.462 -0.558 -0.980) 9.529 6.702 ( -1.344 3.003 8.023) 8.672 6.739 ( -0.480 -0.467 9.158) 9.183 6.905 ( -6.660 2.699 0.112) 7.187 6.941 ( -6.144 -0.808 1.114) 6.296 7.107 ( 5.833 5.380 -1.364) 8.052 7.199 ( 6.850 5.509 -0.282) 8.795 7.243 ( 4.133 -0.750 -3.774) 5.647 7.352 ( 5.855 -2.367 -4.212) 7.591 7.749 ( 1.519 -1.562 6.041) 6.422 7.770 ( 3.321 -3.042 4.175) 6.141 7.857 ( 4.232 -0.292 -0.958) 4.349 7.973 ( 1.559 -12.629 -3.420) 13.177 8.177 ( 2.652 3.533 9.512) 10.488 8.272 ( 2.301 -6.525 6.295) 9.354 8.450 ( 1.482 3.023 -3.364) 4.759 8.467 ( 2.861 0.701 -1.866) 3.487 8.685 ( 1.984 2.612 6.746) 7.501 8.763 ( -0.391 -3.252 5.478) 6.383 8.880 ( 0.976 3.787 -2.389) 4.583 8.968 ( -0.398 -3.926 -2.168) 4.503 9.260 ( -3.931 4.481 0.887) 6.026 9.326 ( -1.475 -1.388 2.433) 3.165 9.419 ( -3.320 5.663 -4.165) 7.775 9.490 ( -4.537 -1.167 -3.467) 5.828 9.530 ( -5.920 0.789 6.102) 8.539 9.555 ( -4.023 -0.700 4.034) 5.741 9.767 ( -8.255 5.107 -3.108) 10.193 9.832 ( -5.641 -0.697 -5.706) 8.054 10.195 ( 0.488 6.937 1.097) 7.040 10.289 ( 0.722 -1.684 -2.768) 3.320 10.328 ( -0.164 1.600 -2.366) 2.861 10.401 ( 1.336 -4.801 -6.257) 7.999 10.566 ( -1.129 4.294 5.033) 6.711 10.666 ( -3.600 -3.810 4.739) 7.066 10.762 ( -0.946 2.940 -1.759) 3.554 10.867 ( 0.762 -5.502 -2.133) 5.950 11.029 ( -0.903 1.391 4.123) 4.444 11.078 ( 3.481 -3.405 5.061) 7.023 11.310 ( 2.494 1.800 -7.804) 8.389 11.343 ( 3.705 -1.951 -8.109) 9.126 11.695 ( -2.404 3.078 3.759) 5.421 11.721 ( -1.617 0.196 3.824) 4.157 11.802 ( -1.606 0.378 2.812) 3.260 11.826 ( 0.145 -1.700 2.344) 2.899 11.998 ( 0.584 1.249 0.906) 1.650 12.013 ( -0.058 -1.313 0.572) 1.433 12.080 ( -1.218 -0.138 -3.677) 3.876 12.116 ( 0.168 -2.780 -4.118) 4.971 12.489 ( -1.118 3.034 2.166) 3.891 12.537 ( 0.862 -0.976 2.121) 2.489 12.673 ( -2.497 -0.318 -7.274) 7.697 12.717 ( 0.073 -4.058 -6.754) 7.879 12.869 ( 0.850 2.567 -0.504) 2.751 12.904 ( 2.526 3.365 -1.414) 4.439 12.933 ( 2.418 -2.930 0.037) 3.799 12.975 ( 1.723 -2.331 -1.809) 3.417 13.027 ( 1.272 4.054 7.331) 8.474 13.131 ( 1.906 -5.799 5.548) 8.249 13.327 ( -0.484 2.351 -5.053) 5.594 13.400 ( 1.541 -4.426 -5.512) 7.236 13.664 ( 1.513 3.545 3.424) 5.156 13.720 ( -0.919 -1.007 2.438) 2.793 13.749 ( 0.549 0.324 2.394) 2.478 13.775 ( 1.718 -2.385 0.715) 3.025 13.835 ( -0.055 3.537 4.168) 5.466 13.894 ( 0.228 -2.214 1.955) 2.962 13.950 ( 2.947 1.081 -1.852) 3.645 14.000 ( 2.927 -3.485 -3.311) 5.628 14.210 ( -0.284 3.432 3.415) 4.850 14.232 ( 0.036 1.060 4.777) 4.893 14.335 ( 0.143 6.049 -2.507) 6.550 14.425 ( -3.353 -1.021 -1.459) 3.796 14.514 ( -1.578 0.169 4.777) 5.034 14.561 ( 0.232 -0.531 -0.229) 0.623 14.614 ( -2.431 1.701 -0.690) 3.046 14.680 ( -0.227 -1.796 -3.188) 3.666 14.786 ( -1.311 3.451 2.629) 4.532 14.851 ( -3.222 -2.036 1.092) 3.965 14.909 ( -1.848 -2.275 0.065) 2.932 14.941 ( -1.132 -4.535 -2.525) 5.313 16.498 ( 1.232 5.868 4.427) 7.453 16.606 ( 0.611 -4.714 1.770) 5.072 16.658 ( 1.820 0.940 -3.201) 3.801 16.684 ( 0.799 -1.975 -1.454) 2.579 16.867 ( -1.678 0.722 3.815) 4.229 16.889 ( -2.051 -1.217 1.997) 3.110 16.953 ( -1.228 1.054 -0.594) 1.724 16.981 ( -1.281 -1.968 -1.068) 2.580 17.875 ( 2.637 7.178 0.957) 7.707 17.987 ( 0.900 2.503 -2.816) 3.873 18.001 ( 1.363 -0.141 -1.883) 2.329 18.089 ( 0.027 -2.801 -3.986) 4.872 18.931 ( -0.284 1.703 2.214) 2.807 18.967 ( -0.579 -1.934 1.243) 2.371 19.019 ( -1.450 0.136 -1.467) 2.067 19.029 ( -1.608 -0.740 -2.769) 3.286 22.615 ( 2.544 6.299 0.432) 6.807 22.629 ( 2.731 4.338 -0.103) 5.127 22.708 ( 1.494 -3.848 1.154) 4.286 22.745 ( 1.839 -6.642 -0.807) 6.939 23.393 ( 0.130 0.974 1.073) 1.455 23.412 ( -0.242 -0.934 1.261) 1.588 23.469 ( -0.443 1.640 -3.037) 3.480 23.496 ( -0.213 -0.965 -3.605) 3.738 24.329 ( -0.163 1.974 3.398) 3.933 24.362 ( -0.120 -0.481 2.628) 2.674 24.392 ( 1.173 0.699 2.302) 2.676 24.435 ( 0.932 -4.233 1.495) 4.585 25.123 ( -4.808 4.070 1.305) 6.433 25.153 ( -6.945 1.586 0.146) 7.125 25.187 ( -5.663 -2.013 -2.346) 6.452 25.236 ( -4.665 -4.996 -2.556) 7.298 26.280 ( 4.002 3.418 8.798) 10.252 26.314 ( -0.810 1.130 8.995) 9.102 26.572 ( 4.667 -3.572 -2.338) 6.325 26.606 ( 0.896 -5.867 -2.740) 6.537 27.038 ( 3.500 5.602 -0.146) 6.607 27.060 ( 3.941 3.161 -1.236) 5.201 27.136 ( 3.154 -3.858 -0.021) 4.983 27.161 ( 3.443 -6.157 -1.060) 7.133 ======================= Grid point 86 (35/48) ======================= q-point: ( 0.29 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 9.761 18.653 6.333) 21.985 2.140 ( 12.101 -2.905 6.812) 14.187 2.222 ( 7.091 0.009 7.384) 10.237 2.426 ( 2.511 -9.026 1.511) 9.490 2.543 ( -5.596 1.183 -12.813) 14.031 2.574 ( -1.615 -2.868 -7.711) 8.384 2.704 ( 1.300 5.191 -10.852) 12.100 2.808 ( -2.085 -5.118 -7.910) 9.649 2.857 ( -0.867 2.637 -4.091) 4.944 2.908 ( -3.970 3.208 -8.277) 9.724 2.922 ( -2.636 -1.834 -8.749) 9.320 3.024 ( -7.107 -6.547 -7.989) 12.537 3.188 ( 6.348 3.634 0.070) 7.315 3.240 ( 1.903 -1.618 -2.474) 3.516 3.304 ( 3.542 3.198 -6.377) 7.965 3.376 ( 1.940 -3.922 -8.445) 9.512 3.680 ( -1.360 1.540 3.823) 4.340 3.709 ( 2.694 -0.800 4.328) 5.160 4.006 ( -0.269 -0.040 -7.859) 7.863 4.028 ( -1.074 -1.783 -11.052) 11.246 4.240 ( 14.922 7.097 13.296) 21.209 4.305 ( 2.776 -1.925 6.496) 7.321 4.337 ( 2.745 0.772 4.209) 5.084 4.432 ( 7.301 -5.444 7.174) 11.594 4.510 ( 3.248 1.114 -3.479) 4.888 4.565 ( -0.752 -4.050 -1.561) 4.405 4.706 ( -1.126 2.420 -4.347) 5.101 4.737 ( 4.162 0.769 -0.414) 4.253 4.817 ( -0.933 1.373 1.396) 2.169 4.907 ( -2.728 -1.491 -5.225) 6.080 5.000 ( -5.685 5.031 3.819) 8.498 5.064 ( -3.040 -1.902 -2.019) 4.115 5.155 ( -7.687 -0.836 -3.386) 8.441 5.249 ( 0.440 -8.638 5.728) 10.374 5.376 ( 2.059 4.927 -7.614) 9.300 5.472 ( 1.492 -3.509 -2.930) 4.809 5.682 ( -2.470 4.327 2.428) 5.543 5.690 ( -5.431 3.692 2.628) 7.073 5.791 ( -3.369 -3.082 -2.274) 5.101 5.796 ( -3.044 -2.888 -1.565) 4.478 6.064 ( 2.117 2.869 4.352) 5.626 6.125 ( 7.611 -2.723 2.487) 8.457 6.147 ( -0.483 1.392 1.451) 2.067 6.190 ( -2.737 -3.063 1.248) 4.293 6.362 ( -0.093 3.542 4.384) 5.637 6.388 ( -0.357 1.101 3.923) 4.090 6.555 ( 3.400 3.522 -0.991) 4.995 6.578 ( 2.778 1.430 -1.021) 3.287 6.721 ( 0.939 2.198 -2.110) 3.188 6.768 ( 0.630 -2.295 -0.003) 2.380 6.778 ( -5.231 0.738 -3.301) 6.229 6.817 ( -5.281 -2.335 -3.840) 6.935 7.279 ( 10.297 3.333 1.156) 10.885 7.357 ( 9.050 -2.930 4.410) 10.485 7.432 ( 14.501 8.225 -4.930) 17.385 7.527 ( 9.716 -0.772 -2.623) 10.094 7.770 ( 0.564 -0.189 6.520) 6.547 7.837 ( 3.833 -3.502 2.879) 5.937 7.942 ( 3.770 -2.742 -1.984) 5.066 8.008 ( 1.775 -9.423 -4.943) 10.788 8.253 ( 5.051 4.163 9.530) 11.562 8.322 ( 2.361 -2.409 6.215) 7.071 8.488 ( 1.667 3.618 -0.225) 3.990 8.530 ( 2.566 -0.381 -1.753) 3.131 8.738 ( 3.347 0.757 4.874) 5.961 8.768 ( 1.362 -0.689 4.412) 4.668 8.884 ( -0.822 2.667 -0.684) 2.874 8.968 ( 0.513 -4.362 -0.591) 4.432 9.162 ( -5.240 7.368 2.700) 9.436 9.283 ( -2.602 -3.147 3.531) 5.398 9.300 ( -7.560 2.263 5.256) 9.482 9.349 ( -8.136 2.150 -0.430) 8.426 9.425 ( -5.160 -0.589 2.259) 5.664 9.470 ( -4.520 -2.943 -2.699) 6.032 9.572 ( -10.904 3.628 -3.438) 11.995 9.679 ( -9.353 -5.200 -6.125) 12.330 10.209 ( 0.938 6.126 3.071) 6.916 10.284 ( -0.447 -0.450 0.879) 1.084 10.309 ( -1.910 1.188 1.207) 2.552 10.389 ( -2.448 -6.840 -1.541) 7.427 10.601 ( 4.320 3.525 0.561) 5.604 10.676 ( 4.200 -3.769 0.392) 5.656 10.752 ( 0.381 3.558 -4.566) 5.801 10.857 ( -0.958 -6.088 -6.896) 9.249 11.047 ( 2.161 3.150 5.422) 6.632 11.131 ( 1.563 -5.139 3.861) 6.615 11.310 ( -3.097 1.856 -6.375) 7.326 11.360 ( -2.704 -3.274 -6.369) 7.655 11.671 ( 0.315 3.228 1.892) 3.755 11.704 ( 0.736 -0.563 1.710) 1.945 11.773 ( -1.218 2.338 0.171) 2.642 11.824 ( -0.502 -2.652 -1.796) 3.242 11.992 ( -0.651 1.693 0.753) 1.964 12.011 ( -0.364 0.120 1.707) 1.750 12.053 ( -1.562 1.085 -0.721) 2.034 12.103 ( -1.663 -2.624 -2.633) 4.073 12.497 ( 2.219 4.896 2.533) 5.943 12.564 ( 1.810 -0.319 2.638) 3.215 12.631 ( -1.463 2.216 -3.789) 4.627 12.705 ( -1.313 -3.668 -3.776) 5.426 12.888 ( 0.807 2.087 1.172) 2.526 12.930 ( -1.071 -1.095 1.843) 2.396 12.961 ( 2.150 -1.842 -1.622) 3.262 13.003 ( 0.473 -3.625 -1.009) 3.793 13.135 ( 8.288 3.403 1.922) 9.163 13.194 ( 4.335 -2.101 3.106) 5.732 13.322 ( -0.126 3.391 -3.617) 4.959 13.408 ( -0.493 -4.341 -4.189) 6.053 13.695 ( 0.828 1.257 2.780) 3.161 13.713 ( 0.975 -0.189 2.297) 2.502 13.765 ( 0.745 1.263 1.230) 1.914 13.796 ( 0.220 -0.436 -0.085) 0.496 13.848 ( 1.199 1.212 5.732) 5.980 13.896 ( 1.436 -2.337 2.529) 3.730 14.023 ( 3.163 0.670 -3.293) 4.615 14.043 ( 0.685 -1.134 -4.277) 4.477 14.215 ( 0.678 2.119 2.598) 3.420 14.232 ( 0.628 0.554 5.197) 5.264 14.336 ( -0.861 2.710 -0.852) 2.968 14.363 ( -2.109 1.892 -1.695) 3.301 14.466 ( -2.815 1.898 4.942) 5.996 14.545 ( -2.350 4.584 -0.789) 5.211 14.575 ( -1.059 -4.967 0.132) 5.080 14.648 ( -2.665 -4.695 -2.002) 5.758 14.765 ( -0.774 3.787 0.083) 3.866 14.791 ( -2.327 1.376 0.897) 2.848 14.867 ( -2.177 -3.195 -1.075) 4.013 14.903 ( -2.497 -5.304 -2.745) 6.473 16.533 ( 2.217 5.195 4.879) 7.464 16.623 ( 1.001 -3.162 2.380) 4.082 16.692 ( 0.313 -1.021 -0.735) 1.297 16.694 ( 0.550 -1.177 -0.982) 1.629 16.835 ( -0.824 0.873 1.848) 2.204 16.853 ( -1.115 -0.702 0.960) 1.631 16.923 ( -1.840 0.974 -1.400) 2.509 16.945 ( -2.222 -1.473 -1.783) 3.207 17.941 ( 3.825 5.277 0.471) 6.535 18.015 ( 1.762 3.393 -2.642) 4.647 18.032 ( 1.555 -1.653 -0.796) 2.405 18.086 ( -0.510 -1.712 -2.848) 3.362 18.926 ( -0.114 1.231 1.516) 1.956 18.954 ( -0.629 -1.586 0.754) 1.866 18.985 ( -1.890 -0.067 -0.781) 2.046 18.991 ( -1.938 -0.690 -1.751) 2.702 22.675 ( 3.297 5.535 0.770) 6.488 22.697 ( 3.856 2.737 -0.152) 4.731 22.740 ( 1.458 -1.588 1.409) 2.575 22.783 ( 1.610 -5.090 -0.755) 5.392 23.400 ( 0.653 0.409 0.435) 0.885 23.410 ( 0.178 -0.629 0.551) 0.855 23.456 ( -0.872 1.051 -2.473) 2.825 23.484 ( -0.995 -1.565 -3.296) 3.782 24.337 ( 1.202 1.804 3.629) 4.227 24.375 ( 1.429 -1.562 3.136) 3.784 24.413 ( 0.762 0.854 1.723) 2.069 24.446 ( 0.055 -2.691 0.532) 2.744 25.004 ( -7.068 4.363 2.446) 8.658 25.012 ( -6.033 4.842 1.794) 7.941 25.070 ( -5.384 -3.326 -1.858) 6.596 25.122 ( -6.210 -5.277 -2.197) 8.440 26.362 ( 4.866 2.485 6.677) 8.627 26.381 ( 5.731 0.900 6.551) 8.750 26.595 ( -0.644 -1.270 -2.502) 2.878 26.620 ( -0.861 -3.410 -2.538) 4.337 27.116 ( 4.064 4.233 -0.171) 5.871 27.154 ( 4.781 -0.064 -2.394) 5.347 27.194 ( 2.441 -2.290 -0.807) 3.443 27.235 ( 3.219 -5.892 -2.400) 7.130 ======================= Grid point 87 (36/48) ======================= q-point: ( 0.43 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 13.062 11.675 -4.844) 18.177 2.267 ( 4.104 -7.840 -8.955) 12.590 2.313 ( -9.511 3.014 -9.330) 13.659 2.382 ( -6.485 -2.227 -14.778) 16.291 2.502 ( 12.375 6.852 5.646) 15.230 2.651 ( 5.154 -5.465 0.440) 7.525 2.710 ( -3.007 -0.242 -2.554) 3.953 2.750 ( -3.701 -0.861 -6.193) 7.265 2.825 ( -2.220 0.653 -2.864) 3.682 2.837 ( -3.008 0.620 -5.536) 6.331 2.854 ( 0.496 -1.318 -6.508) 6.659 2.926 ( -4.312 -5.881 -5.569) 9.175 3.261 ( 2.414 2.368 -6.208) 7.069 3.300 ( 3.629 -0.948 -8.699) 9.473 3.312 ( -2.494 3.647 -8.532) 9.608 3.363 ( -2.068 -0.822 -10.003) 10.248 3.797 ( 10.389 -0.618 4.325) 11.270 3.841 ( 9.387 -4.338 4.377) 11.229 3.975 ( -5.473 -2.501 -0.983) 6.097 3.991 ( -4.114 -3.771 -2.816) 6.251 4.331 ( 4.620 2.389 4.074) 6.607 4.396 ( 5.089 -4.283 3.021) 7.305 4.430 ( -0.242 3.993 4.161) 5.772 4.523 ( -1.875 -4.123 2.686) 5.266 4.540 ( 1.330 0.893 -3.120) 3.508 4.567 ( -4.815 -0.294 -3.225) 5.803 4.619 ( -0.194 -3.883 -3.726) 5.385 4.690 ( -7.318 -7.603 -6.602) 12.448 4.851 ( 5.979 3.613 6.767) 9.726 4.903 ( 4.529 -0.897 3.526) 5.809 4.985 ( -4.753 3.827 3.411) 6.990 5.023 ( -6.228 -0.118 -0.375) 6.240 5.127 ( 15.087 10.632 10.229) 21.102 5.342 ( 7.343 -7.838 7.089) 12.869 5.427 ( 0.239 3.211 -2.627) 4.155 5.453 ( -10.271 1.565 3.608) 10.998 5.588 ( 1.524 5.658 2.669) 6.439 5.631 ( -1.510 5.011 2.216) 5.683 5.716 ( -3.551 -3.501 0.437) 5.006 5.737 ( -4.697 -6.225 2.324) 8.137 6.056 ( 2.579 4.362 6.390) 8.155 6.138 ( 0.556 -2.776 3.012) 4.134 6.154 ( -3.693 1.791 1.776) 4.472 6.197 ( -3.149 -1.660 1.642) 3.920 6.407 ( 7.186 3.334 -2.254) 8.236 6.432 ( 7.793 1.239 -1.274) 7.993 6.559 ( -4.875 2.991 -5.718) 8.088 6.563 ( -4.226 2.511 -5.544) 7.409 6.709 ( -0.982 -0.257 -5.824) 5.911 6.720 ( -1.956 0.552 -5.670) 6.023 6.727 ( -0.663 -1.939 -6.683) 6.990 6.759 ( -2.723 -3.057 -5.809) 7.106 7.484 ( 9.673 3.281 4.815) 11.292 7.541 ( 8.303 -1.383 6.312) 10.521 7.615 ( -1.407 1.626 4.101) 4.630 7.641 ( 1.273 0.085 1.619) 2.061 7.822 ( 7.337 5.668 -0.121) 9.272 7.923 ( 1.653 2.447 -3.001) 4.210 7.986 ( 1.670 -5.190 -5.209) 7.540 8.025 ( -0.571 -5.546 -6.614) 8.651 8.372 ( 6.212 3.965 9.195) 11.784 8.374 ( 3.291 3.392 7.667) 9.006 8.483 ( -1.719 2.039 4.970) 5.640 8.530 ( -3.216 -1.930 2.088) 4.293 8.782 ( 1.869 3.728 3.230) 5.275 8.833 ( -0.745 1.885 -0.339) 2.055 8.851 ( 3.032 -0.896 -2.291) 3.904 8.957 ( -3.904 -5.708 -2.435) 7.332 9.121 ( 2.686 4.190 5.009) 7.061 9.185 ( -3.614 1.251 5.320) 6.552 9.226 ( -2.494 1.094 4.053) 4.883 9.244 ( -1.579 -5.491 4.686) 7.390 9.333 ( -3.009 -0.058 -1.285) 3.272 9.372 ( -7.739 2.058 -2.936) 8.529 9.413 ( -0.431 -5.412 -2.614) 6.026 9.496 ( -8.166 -8.012 -4.452) 12.276 10.230 ( 1.230 4.726 4.139) 6.402 10.260 ( -1.765 3.157 4.136) 5.495 10.298 ( 0.957 -2.141 1.163) 2.617 10.334 ( -2.592 -4.633 1.169) 5.436 10.698 ( 4.689 3.872 -1.029) 6.168 10.748 ( 0.423 1.802 -1.623) 2.462 10.787 ( 3.535 -2.272 -5.110) 6.616 10.837 ( -1.462 -4.198 -6.505) 7.879 11.112 ( 4.819 -0.207 1.438) 5.033 11.157 ( 2.008 -3.886 -0.109) 4.376 11.217 ( -5.192 -0.789 -3.020) 6.058 11.254 ( -6.827 -3.638 -3.801) 8.619 11.702 ( 2.275 4.080 0.599) 4.710 11.732 ( 0.345 2.955 -0.803) 3.081 11.760 ( 0.750 -0.086 -1.389) 1.581 11.799 ( -2.046 -1.878 -3.696) 4.623 12.000 ( 1.653 0.292 0.921) 1.915 12.002 ( -0.001 0.187 1.537) 1.548 12.019 ( -1.628 1.172 0.501) 2.068 12.053 ( -3.146 -1.677 -1.174) 3.754 12.567 ( 4.307 4.677 1.377) 6.506 12.598 ( 1.577 2.807 1.402) 3.511 12.614 ( -0.649 3.680 -0.227) 3.744 12.659 ( -3.487 0.409 -1.053) 3.666 12.906 ( 1.574 0.141 2.745) 3.168 12.930 ( 0.320 -1.741 1.797) 2.522 12.970 ( -0.606 -4.123 -0.225) 4.173 12.985 ( -1.690 -5.184 0.501) 5.476 13.274 ( 3.791 2.038 0.377) 4.320 13.295 ( 6.271 -0.456 -1.700) 6.514 13.316 ( -0.852 3.487 -1.721) 3.981 13.381 ( -2.542 -2.734 -3.017) 4.800 13.713 ( 1.548 1.301 3.531) 4.069 13.744 ( 1.122 -1.007 3.723) 4.016 13.753 ( -1.068 0.348 3.523) 3.698 13.784 ( -1.643 -1.770 2.507) 3.481 13.904 ( 4.998 3.827 0.475) 6.313 13.963 ( 4.402 -1.571 -2.236) 5.182 14.007 ( -4.204 2.353 -3.839) 6.160 14.037 ( -2.108 -0.336 -4.740) 5.199 14.239 ( 2.132 1.464 3.672) 4.491 14.269 ( 2.216 -0.733 3.689) 4.366 14.293 ( -2.036 0.393 3.229) 3.837 14.331 ( -2.559 -2.391 0.819) 3.597 14.443 ( 1.112 6.187 1.908) 6.569 14.489 ( -2.963 5.674 0.147) 6.402 14.567 ( 0.319 -4.911 -1.004) 5.023 14.594 ( -2.386 -4.253 -1.331) 5.055 14.758 ( 0.048 2.556 -0.925) 2.719 14.764 ( -0.634 2.038 0.125) 2.138 14.837 ( -0.493 -4.424 -2.373) 5.044 14.854 ( -2.092 -5.108 -2.662) 6.128 16.583 ( 2.756 4.335 5.042) 7.198 16.630 ( -1.250 2.250 3.952) 4.716 16.677 ( 0.044 -3.752 2.214) 4.357 16.695 ( -0.948 -2.950 0.956) 3.243 16.846 ( 1.569 0.630 -1.036) 1.983 16.858 ( 1.486 -0.376 -1.888) 2.432 16.884 ( -2.024 0.784 -1.823) 2.835 16.899 ( -2.387 -0.827 -2.398) 3.484 18.013 ( 3.278 2.853 -0.360) 4.360 18.046 ( 1.069 1.661 -1.810) 2.679 18.053 ( 0.460 -0.621 -1.065) 1.316 18.064 ( -1.719 0.299 -1.556) 2.337 18.930 ( 0.598 0.596 0.704) 1.099 18.948 ( 0.048 -1.124 0.074) 1.127 18.951 ( -1.455 0.062 -0.067) 1.458 18.960 ( -1.177 -0.797 -0.759) 1.611 22.732 ( 2.167 3.814 1.226) 4.555 22.754 ( -0.116 1.284 1.489) 1.970 22.765 ( 2.732 0.257 -0.324) 2.763 22.797 ( -0.373 -2.597 -0.543) 2.679 23.415 ( 0.754 0.274 -0.255) 0.841 23.423 ( 0.762 -0.168 -0.812) 1.127 23.439 ( -0.463 -0.292 -1.574) 1.667 23.458 ( -1.527 -1.639 -2.285) 3.200 24.374 ( 2.261 1.582 3.198) 4.224 24.407 ( 0.406 -0.267 2.660) 2.704 24.415 ( 0.330 -0.953 2.142) 2.368 24.438 ( -0.815 -1.875 1.178) 2.360 24.905 ( -2.450 5.799 2.434) 6.750 24.915 ( -3.213 5.031 2.323) 6.406 24.999 ( -1.452 -4.234 -2.240) 5.005 25.021 ( -3.535 -5.116 -2.280) 6.623 26.472 ( 5.679 1.505 3.455) 6.816 26.489 ( 4.845 0.108 3.323) 5.876 26.562 ( -2.786 -0.059 -0.031) 2.787 26.570 ( -3.896 -0.644 0.149) 3.952 27.185 ( 2.640 2.350 -0.522) 3.573 27.212 ( 0.169 0.508 -0.879) 1.029 27.238 ( 2.658 -3.215 -3.171) 5.240 27.268 ( -0.006 -4.782 -3.315) 5.819 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 0.000 -31.184) 31.184 1.889 ( 0.000 0.000 31.184) 31.184 1.971 ( 0.000 0.000 -29.409) 29.409 1.971 ( 0.000 0.000 29.409) 29.409 2.627 ( 0.000 0.000 -2.820) 2.820 2.627 ( 0.000 0.000 2.820) 2.820 2.642 ( 0.000 0.000 -30.485) 30.485 2.642 ( 0.000 0.000 30.485) 30.485 2.898 ( 0.000 0.000 -3.783) 3.783 2.898 ( 0.000 0.000 3.783) 3.783 2.981 ( 0.000 0.000 -9.345) 9.345 2.981 ( 0.000 0.000 9.345) 9.345 3.066 ( 0.000 0.000 -4.792) 4.792 3.066 ( 0.000 0.000 4.792) 4.792 3.371 ( 0.000 0.000 -2.674) 2.674 3.371 ( 0.000 0.000 2.674) 2.674 3.774 ( 0.000 0.000 -9.574) 9.574 3.774 ( 0.000 0.000 9.574) 9.574 3.830 ( 0.000 0.000 -7.842) 7.842 3.830 ( 0.000 0.000 7.842) 7.842 4.139 ( 0.000 0.000 -0.001) 0.001 4.139 ( 0.000 0.000 0.001) 0.001 4.283 ( 0.000 0.000 -2.500) 2.500 4.283 ( 0.000 0.000 2.500) 2.500 4.407 ( 0.000 0.000 -1.147) 1.147 4.407 ( 0.000 0.000 1.147) 1.147 4.520 ( 0.000 0.000 -6.359) 6.359 4.520 ( 0.000 0.000 6.359) 6.359 4.749 ( 0.000 0.000 -14.114) 14.114 4.749 ( 0.000 0.000 14.114) 14.114 5.226 ( 0.000 0.000 -7.004) 7.004 5.226 ( 0.000 0.000 7.004) 7.004 5.562 ( 0.000 0.000 -1.939) 1.939 5.562 ( 0.000 0.000 1.939) 1.939 5.594 ( 0.000 0.000 -10.358) 10.358 5.594 ( 0.000 0.000 10.358) 10.358 5.688 ( 0.000 0.000 -4.297) 4.297 5.688 ( 0.000 0.000 4.297) 4.297 5.797 ( 0.000 0.000 -2.179) 2.179 5.797 ( 0.000 0.000 2.179) 2.179 6.044 ( 0.000 0.000 -0.309) 0.309 6.044 ( 0.000 0.000 0.309) 0.309 6.063 ( 0.000 0.000 -9.385) 9.385 6.063 ( 0.000 0.000 9.385) 9.385 6.384 ( 0.000 0.000 -2.739) 2.739 6.384 ( 0.000 0.000 2.739) 2.739 6.511 ( 0.000 0.000 -1.475) 1.475 6.511 ( 0.000 0.000 1.475) 1.475 6.789 ( 0.000 0.000 -6.204) 6.204 6.789 ( 0.000 0.000 6.204) 6.204 6.796 ( 0.000 0.000 -10.255) 10.255 6.796 ( 0.000 0.000 10.255) 10.255 6.949 ( 0.000 0.000 -3.975) 3.975 6.949 ( 0.000 0.000 3.975) 3.975 7.268 ( 0.000 0.000 -2.383) 2.383 7.268 ( 0.000 0.000 2.383) 2.383 7.859 ( 0.000 0.000 -1.990) 1.990 7.859 ( 0.000 0.000 1.990) 1.990 8.147 ( 0.000 0.000 -12.951) 12.951 8.147 ( 0.000 0.000 12.951) 12.951 8.246 ( 0.000 0.000 -5.387) 5.387 8.246 ( 0.000 0.000 5.387) 5.387 8.674 ( 0.000 0.000 -4.649) 4.649 8.674 ( 0.000 0.000 4.649) 4.649 8.682 ( 0.000 0.000 -1.815) 1.815 8.682 ( 0.000 0.000 1.815) 1.815 8.795 ( 0.000 0.000 -5.580) 5.580 8.795 ( 0.000 0.000 5.580) 5.580 9.181 ( 0.000 0.000 -3.137) 3.137 9.181 ( 0.000 0.000 3.137) 3.137 9.373 ( 0.000 0.000 -11.527) 11.527 9.373 ( 0.000 0.000 11.527) 11.527 9.661 ( 0.000 0.000 -3.220) 3.220 9.661 ( 0.000 0.000 3.220) 3.220 9.708 ( 0.000 0.000 -6.228) 6.228 9.708 ( 0.000 0.000 6.228) 6.228 10.199 ( 0.000 0.000 -2.958) 2.958 10.199 ( 0.000 0.000 2.958) 2.958 10.243 ( 0.000 0.000 -8.612) 8.612 10.243 ( 0.000 0.000 8.612) 8.612 10.598 ( 0.000 0.000 -2.842) 2.842 10.598 ( 0.000 0.000 2.842) 2.842 10.994 ( 0.000 0.000 -9.212) 9.212 10.994 ( 0.000 0.000 9.212) 9.212 11.131 ( 0.000 0.000 -1.868) 1.868 11.131 ( 0.000 0.000 1.868) 1.868 11.145 ( 0.000 0.000 -9.351) 9.351 11.145 ( 0.000 0.000 9.352) 9.352 11.710 ( 0.000 0.000 -4.929) 4.929 11.710 ( 0.000 0.000 4.929) 4.929 11.845 ( 0.000 0.000 -2.823) 2.823 11.845 ( 0.000 0.000 2.823) 2.823 12.082 ( 0.000 0.000 -1.872) 1.872 12.082 ( 0.000 0.000 1.872) 1.872 12.105 ( 0.000 0.000 -1.728) 1.728 12.105 ( 0.000 0.000 1.728) 1.728 12.583 ( 0.000 0.000 -10.323) 10.323 12.583 ( 0.000 0.000 10.323) 10.323 12.684 ( 0.000 0.000 -11.160) 11.160 12.684 ( 0.000 0.000 11.160) 11.160 12.831 ( 0.000 0.000 -3.312) 3.312 12.831 ( 0.000 0.000 3.312) 3.312 12.868 ( 0.000 0.000 -1.842) 1.842 12.868 ( 0.000 0.000 1.842) 1.842 13.276 ( 0.000 0.000 -1.606) 1.606 13.276 ( 0.000 0.000 1.606) 1.606 13.360 ( 0.000 0.000 -3.750) 3.750 13.360 ( 0.000 0.000 3.750) 3.750 13.633 ( 0.000 0.000 -4.156) 4.156 13.633 ( 0.000 0.000 4.156) 4.156 13.754 ( 0.000 0.000 -1.542) 1.542 13.754 ( 0.000 0.000 1.542) 1.542 13.918 ( 0.000 0.000 -2.309) 2.309 13.918 ( 0.000 0.000 2.309) 2.309 13.994 ( 0.000 0.000 -7.779) 7.779 13.994 ( 0.000 0.000 7.779) 7.779 14.136 ( 0.000 0.000 -0.488) 0.488 14.136 ( 0.000 0.000 0.488) 0.488 14.206 ( 0.000 0.000 -0.016) 0.016 14.206 ( 0.000 0.000 0.016) 0.016 14.509 ( 0.000 0.000 -3.057) 3.057 14.509 ( 0.000 0.000 3.057) 3.057 14.782 ( 0.000 0.000 -3.683) 3.683 14.782 ( 0.000 0.000 3.683) 3.683 14.850 ( 0.000 0.000 -9.776) 9.776 14.850 ( 0.000 0.000 9.776) 9.776 15.039 ( 0.000 0.000 -1.535) 1.535 15.039 ( 0.000 0.000 1.535) 1.535 16.485 ( 0.000 0.000 -7.364) 7.364 16.485 ( 0.000 0.000 7.364) 7.364 16.717 ( 0.000 0.000 -1.863) 1.863 16.717 ( 0.000 0.000 1.863) 1.863 16.957 ( 0.000 0.000 -0.473) 0.473 16.957 ( 0.000 0.000 0.473) 0.473 17.021 ( 0.000 0.000 -5.298) 5.298 17.021 ( 0.000 0.000 5.298) 5.298 17.606 ( 0.000 0.000 -0.528) 0.528 17.606 ( 0.000 0.000 0.528) 0.528 18.096 ( 0.000 0.000 -0.949) 0.949 18.096 ( 0.000 0.000 0.949) 0.949 18.979 ( 0.000 0.000 -4.803) 4.803 18.979 ( 0.000 0.000 4.803) 4.803 19.030 ( 0.000 0.000 -0.689) 0.689 19.030 ( 0.000 0.000 0.689) 0.689 22.466 ( 0.000 0.000 -1.208) 1.208 22.466 ( 0.000 0.000 1.208) 1.208 22.844 ( 0.000 0.000 -2.791) 2.791 22.844 ( 0.000 0.000 2.791) 2.791 23.385 ( 0.000 0.000 -1.067) 1.067 23.385 ( 0.000 0.000 1.067) 1.067 23.470 ( 0.000 0.000 -0.597) 0.597 23.470 ( 0.000 0.000 0.597) 0.597 24.311 ( 0.000 0.000 -0.248) 0.248 24.311 ( 0.000 0.000 0.248) 0.248 24.491 ( 0.000 0.000 -6.343) 6.343 24.491 ( 0.000 0.000 6.343) 6.343 25.184 ( 0.000 0.000 -5.493) 5.493 25.184 ( 0.000 0.000 5.493) 5.493 25.359 ( 0.000 0.000 -3.519) 3.519 25.359 ( 0.000 0.000 3.519) 3.519 26.237 ( 0.000 0.000 -4.021) 4.021 26.237 ( 0.000 0.000 4.021) 4.021 26.834 ( 0.000 0.000 -0.871) 0.871 26.834 ( 0.000 0.000 0.871) 0.871 26.886 ( 0.000 0.000 -4.100) 4.100 26.886 ( 0.000 0.000 4.100) 4.100 27.221 ( 0.000 0.000 -1.920) 1.920 27.221 ( 0.000 0.000 1.920) 1.920 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -3.029 0.000 -35.379) 35.508 1.846 ( -3.029 0.000 35.379) 35.508 2.062 ( 8.730 0.000 -25.798) 27.235 2.062 ( 8.730 0.000 25.798) 27.235 2.588 ( -3.708 0.000 -3.289) 4.957 2.588 ( -3.708 0.000 3.289) 4.957 2.668 ( 1.042 0.000 -13.836) 13.876 2.668 ( 1.042 0.000 13.836) 13.876 2.903 ( 1.339 0.000 -0.507) 1.431 2.903 ( 1.339 0.000 0.507) 1.431 3.087 ( 1.494 0.000 -5.221) 5.430 3.087 ( 1.494 0.000 5.221) 5.430 3.097 ( 7.578 0.000 -13.588) 15.558 3.097 ( 7.578 0.000 13.588) 15.558 3.307 ( -3.084 0.000 -0.766) 3.178 3.307 ( -3.084 0.000 0.766) 3.178 3.709 ( -5.612 0.000 -8.905) 10.526 3.709 ( -5.612 0.000 8.905) 10.526 3.947 ( 7.600 0.000 -5.569) 9.422 3.947 ( 7.600 0.000 5.569) 9.422 4.140 ( 2.636 0.000 -2.030) 3.327 4.140 ( 2.636 0.000 2.030) 3.327 4.241 ( 1.368 0.000 -7.908) 8.026 4.241 ( 1.368 0.000 7.908) 8.026 4.511 ( 6.196 0.000 -6.937) 9.301 4.511 ( 6.196 0.000 6.937) 9.301 4.529 ( 3.640 0.000 -9.448) 10.125 4.529 ( 3.640 0.000 9.448) 10.125 4.796 ( 3.511 0.000 -13.720) 14.162 4.796 ( 3.511 0.000 13.720) 14.162 5.130 ( -8.600 0.000 -8.264) 11.927 5.130 ( -8.600 0.000 8.264) 11.927 5.464 ( -7.303 0.000 -0.059) 7.303 5.464 ( -7.303 0.000 0.059) 7.303 5.566 ( -3.439 0.000 -5.800) 6.743 5.566 ( -3.439 0.000 5.800) 6.743 5.723 ( -3.560 0.000 -6.475) 7.389 5.723 ( -3.560 0.000 6.475) 7.389 5.807 ( 1.077 0.000 -3.315) 3.485 5.807 ( 1.077 0.000 3.315) 3.485 5.939 ( 4.699 0.000 -2.609) 5.375 5.939 ( 4.699 0.000 2.609) 5.375 6.175 ( 0.483 0.000 -2.127) 2.181 6.175 ( 0.483 0.000 2.127) 2.181 6.391 ( -8.256 0.000 -0.291) 8.261 6.391 ( -8.256 0.000 0.291) 8.261 6.531 ( 7.659 0.000 -3.436) 8.394 6.531 ( 7.659 0.000 3.436) 8.394 6.764 ( -2.472 0.000 -5.960) 6.452 6.764 ( -2.472 0.000 5.960) 6.452 6.852 ( 3.083 0.000 -9.283) 9.782 6.852 ( 3.083 0.000 9.283) 9.782 6.988 ( 6.040 0.000 -4.930) 7.797 6.988 ( 6.040 0.000 4.930) 7.797 7.308 ( 5.221 0.000 -0.004) 5.221 7.308 ( 5.221 0.000 0.004) 5.221 7.888 ( 2.604 0.000 -2.299) 3.474 7.888 ( 2.604 0.000 2.299) 3.474 8.161 ( 1.473 0.000 -10.030) 10.138 8.161 ( 1.473 0.000 10.030) 10.138 8.284 ( 2.898 0.000 -2.731) 3.982 8.284 ( 2.898 0.000 2.731) 3.982 8.533 ( -8.377 0.000 -1.435) 8.499 8.533 ( -8.377 0.000 1.435) 8.499 8.736 ( 0.751 0.000 -6.641) 6.684 8.736 ( 0.751 0.000 6.641) 6.684 8.875 ( 6.742 0.000 -3.464) 7.580 8.875 ( 6.742 0.000 3.464) 7.580 9.121 ( -5.238 0.000 -1.892) 5.570 9.121 ( -5.238 0.000 1.892) 5.570 9.382 ( -0.062 0.000 -7.940) 7.940 9.382 ( -0.062 0.000 7.940) 7.940 9.595 ( -4.044 0.000 -2.023) 4.522 9.595 ( -4.044 0.000 2.023) 4.522 9.687 ( -2.751 0.000 -1.943) 3.368 9.687 ( -2.751 0.000 1.943) 3.368 10.200 ( 0.600 0.000 -4.605) 4.644 10.200 ( 0.600 0.000 4.605) 4.644 10.322 ( 6.220 0.000 -2.697) 6.779 10.322 ( 6.220 0.000 2.697) 6.779 10.570 ( -1.950 0.000 -2.534) 3.197 10.570 ( -1.950 0.000 2.534) 3.197 10.988 ( -5.890 0.000 -6.559) 8.816 10.988 ( -5.890 0.000 6.559) 8.816 11.064 ( 4.466 0.000 -6.405) 7.808 11.064 ( 4.466 0.000 6.405) 7.808 11.267 ( 5.431 0.000 -3.427) 6.422 11.267 ( 5.431 0.000 3.427) 6.422 11.688 ( -2.456 0.000 -4.978) 5.551 11.688 ( -2.456 0.000 4.978) 5.551 11.832 ( -1.297 0.000 -3.816) 4.031 11.832 ( -1.297 0.000 3.816) 4.031 12.035 ( -3.553 0.000 -2.870) 4.567 12.035 ( -3.553 0.000 2.870) 4.567 12.112 ( -0.138 0.000 -1.712) 1.717 12.112 ( -0.138 0.000 1.712) 1.717 12.534 ( -3.309 0.000 -8.926) 9.519 12.534 ( -3.309 0.000 8.926) 9.519 12.693 ( -1.330 0.000 -8.076) 8.184 12.693 ( -1.330 0.000 8.076) 8.184 12.840 ( 4.799 0.000 -0.316) 4.810 12.840 ( 4.799 0.000 0.316) 4.810 12.958 ( 5.886 0.000 -0.687) 5.926 12.958 ( 5.886 0.000 0.687) 5.926 13.156 ( -7.291 0.000 -2.792) 7.807 13.156 ( -7.291 0.000 2.792) 7.807 13.414 ( 1.250 0.000 -3.186) 3.423 13.414 ( 1.250 0.000 3.186) 3.423 13.659 ( 2.604 0.000 -2.658) 3.721 13.659 ( 2.604 0.000 2.658) 3.721 13.758 ( 0.534 0.000 -0.851) 1.005 13.758 ( 0.534 0.000 0.851) 1.005 13.960 ( 1.525 0.000 -3.283) 3.620 13.960 ( 1.525 0.000 3.283) 3.620 13.967 ( -0.417 0.000 -4.059) 4.080 13.967 ( -0.417 0.000 4.059) 4.080 14.143 ( -0.011 0.000 -1.185) 1.185 14.143 ( -0.011 0.000 1.185) 1.185 14.219 ( 1.826 0.000 -0.281) 1.847 14.219 ( 1.826 0.000 0.281) 1.847 14.497 ( -1.134 0.000 -2.759) 2.983 14.497 ( -1.134 0.000 2.759) 2.983 14.779 ( -3.891 0.000 -4.303) 5.801 14.779 ( -3.891 0.000 4.303) 5.801 14.806 ( -0.350 0.000 -0.707) 0.788 14.806 ( -0.350 0.000 0.707) 0.788 15.025 ( -1.597 0.000 -1.301) 2.060 15.025 ( -1.597 0.000 1.301) 2.060 16.513 ( 2.600 0.000 -8.097) 8.504 16.513 ( 2.600 0.000 8.097) 8.504 16.721 ( 0.336 0.000 -2.287) 2.312 16.721 ( 0.336 0.000 2.287) 2.312 16.920 ( -3.147 0.000 -0.451) 3.179 16.920 ( -3.147 0.000 0.451) 3.179 16.993 ( -2.656 0.000 -4.758) 5.449 16.993 ( -2.656 0.000 4.758) 5.449 17.669 ( 5.764 0.000 -0.145) 5.766 17.669 ( 5.764 0.000 0.145) 5.766 18.095 ( -0.211 0.000 -0.732) 0.762 18.095 ( -0.211 0.000 0.732) 0.762 18.971 ( -0.721 0.000 -4.264) 4.324 18.971 ( -0.721 0.000 4.264) 4.324 19.021 ( -0.917 0.000 -0.539) 1.064 19.021 ( -0.917 0.000 0.539) 1.064 22.500 ( 3.316 0.000 -1.430) 3.611 22.500 ( 3.316 0.000 1.430) 3.611 22.839 ( -0.561 0.000 -2.978) 3.031 22.839 ( -0.561 0.000 2.978) 3.031 23.393 ( 0.746 0.000 -0.910) 1.176 23.393 ( 0.746 0.000 0.910) 1.176 23.474 ( 0.357 0.000 -0.920) 0.987 23.474 ( 0.357 0.000 0.920) 0.987 24.320 ( 0.951 0.000 -0.844) 1.271 24.320 ( 0.951 0.000 0.844) 1.271 24.492 ( 0.000 0.000 -5.940) 5.940 24.492 ( 0.000 0.000 5.940) 5.940 25.132 ( -5.145 0.000 -6.160) 8.026 25.132 ( -5.145 0.000 6.160) 8.026 25.270 ( -7.716 0.000 -5.628) 9.551 25.270 ( -7.716 0.000 5.628) 9.551 26.262 ( 2.866 0.000 -1.168) 3.095 26.262 ( 2.866 0.000 1.168) 3.095 26.793 ( -4.591 0.000 -1.044) 4.708 26.793 ( -4.591 0.000 1.044) 4.708 26.948 ( 6.731 0.000 -4.288) 7.981 26.948 ( 6.731 0.000 4.288) 7.981 27.267 ( 3.425 0.000 -2.912) 4.496 27.267 ( 3.425 0.000 2.912) 4.496 ======================= Grid point 109 (39/48) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 2.053 0.000 -31.962) 32.028 1.826 ( 2.053 0.000 31.962) 32.028 2.284 ( 12.544 0.000 -16.502) 20.729 2.284 ( 12.544 0.000 16.502) 20.729 2.458 ( -9.457 0.000 -0.959) 9.505 2.458 ( -9.457 0.000 0.959) 9.505 2.696 ( 2.466 0.000 -1.408) 2.840 2.696 ( 2.466 0.000 1.408) 2.840 2.921 ( -0.740 0.000 -0.245) 0.780 2.921 ( -0.740 0.000 0.245) 0.780 3.073 ( -3.293 0.000 -2.327) 4.032 3.073 ( -3.293 0.000 2.327) 4.032 3.147 ( 0.279 0.000 -3.984) 3.994 3.147 ( 0.279 0.000 3.984) 3.994 3.260 ( -6.238 0.000 -5.140) 8.083 3.260 ( -6.238 0.000 5.140) 8.083 3.725 ( 10.768 0.000 -1.001) 10.815 3.725 ( 10.768 0.000 1.001) 10.815 4.029 ( 4.266 0.000 -0.298) 4.277 4.029 ( 4.266 0.000 0.298) 4.277 4.326 ( 7.692 0.000 -1.823) 7.905 4.326 ( 7.692 0.000 1.823) 7.905 4.423 ( 19.415 0.000 -18.151) 26.579 4.423 ( 19.415 0.000 18.151) 26.579 4.607 ( 5.292 0.000 -1.565) 5.519 4.607 ( 5.292 0.000 1.565) 5.519 4.633 ( 2.269 0.000 -2.864) 3.654 4.633 ( 2.269 0.000 2.864) 3.654 4.822 ( -1.602 0.000 -6.202) 6.406 4.822 ( -1.602 0.000 6.202) 6.406 4.987 ( -3.624 0.000 -9.415) 10.088 4.987 ( -3.624 0.000 9.415) 10.088 5.239 ( -13.231 0.000 -13.147) 18.652 5.239 ( -13.231 0.000 13.147) 18.652 5.513 ( -1.410 0.000 -5.057) 5.250 5.513 ( -1.410 0.000 5.057) 5.250 5.619 ( -6.015 0.000 -3.498) 6.958 5.619 ( -6.015 0.000 3.498) 6.958 5.845 ( -0.471 0.000 -4.004) 4.032 5.845 ( -0.471 0.000 4.004) 4.032 6.041 ( 3.109 0.000 -2.855) 4.221 6.041 ( 3.109 0.000 2.855) 4.221 6.129 ( -2.210 0.000 -0.604) 2.291 6.129 ( -2.210 0.000 0.604) 2.291 6.290 ( -0.749 0.000 -0.765) 1.070 6.290 ( -0.749 0.000 0.765) 1.070 6.529 ( -7.363 0.000 -2.090) 7.654 6.529 ( -7.363 0.000 2.090) 7.654 6.723 ( -1.063 0.000 -1.858) 2.141 6.723 ( -1.063 0.000 1.858) 2.141 6.829 ( -3.860 0.000 -0.444) 3.886 6.829 ( -3.860 0.000 0.444) 3.886 7.231 ( 15.633 0.000 -1.477) 15.702 7.231 ( 15.633 0.000 1.477) 15.702 7.477 ( 10.288 0.000 -4.029) 11.049 7.477 ( 10.288 0.000 4.029) 11.049 7.946 ( 2.853 0.000 -2.595) 3.857 7.946 ( 2.853 0.000 2.595) 3.857 8.198 ( 0.762 0.000 -9.127) 9.159 8.198 ( 0.762 0.000 9.127) 9.159 8.254 ( -7.096 0.000 -6.115) 9.367 8.254 ( -7.096 0.000 6.115) 9.367 8.441 ( 1.429 0.000 -1.380) 1.986 8.441 ( 1.429 0.000 1.380) 1.986 8.727 ( -1.356 0.000 -6.268) 6.413 8.727 ( -1.356 0.000 6.268) 6.413 8.944 ( -4.467 0.000 -1.131) 4.608 8.944 ( -4.467 0.000 1.131) 4.608 9.081 ( 6.189 0.000 -3.876) 7.303 9.081 ( 6.189 0.000 3.876) 7.303 9.345 ( -3.006 0.000 -0.995) 3.166 9.345 ( -3.006 0.000 0.995) 3.166 9.541 ( -2.295 0.000 -2.829) 3.643 9.541 ( -2.295 0.000 2.829) 3.643 9.627 ( -2.731 0.000 -1.749) 3.243 9.627 ( -2.731 0.000 1.749) 3.243 10.216 ( 1.300 0.000 -6.519) 6.648 10.216 ( 1.300 0.000 6.519) 6.648 10.411 ( 0.450 0.000 -7.311) 7.325 10.411 ( 0.450 0.000 7.311) 7.325 10.574 ( 3.885 0.000 -3.741) 5.394 10.574 ( 3.885 0.000 3.741) 5.394 10.881 ( -4.552 0.000 -5.195) 6.907 10.881 ( -4.552 0.000 5.195) 6.907 11.165 ( 4.822 0.000 -6.252) 7.896 11.165 ( 4.822 0.000 6.252) 7.896 11.346 ( 2.487 0.000 -3.589) 4.367 11.346 ( 2.487 0.000 3.589) 4.367 11.629 ( -2.609 0.000 -6.674) 7.166 11.629 ( -2.609 0.000 6.674) 7.166 11.784 ( -3.944 0.000 -5.853) 7.058 11.784 ( -3.944 0.000 5.853) 7.058 11.975 ( -1.758 0.000 -2.619) 3.154 11.975 ( -1.758 0.000 2.619) 3.154 12.092 ( -1.865 0.000 -1.722) 2.538 12.092 ( -1.865 0.000 1.722) 2.538 12.486 ( -1.315 0.000 -6.720) 6.847 12.486 ( -1.315 0.000 6.720) 6.847 12.637 ( -3.918 0.000 -5.892) 7.076 12.637 ( -3.918 0.000 5.892) 7.076 12.985 ( 7.667 0.000 -3.624) 8.481 12.985 ( 7.667 0.000 3.624) 8.481 13.043 ( -1.258 0.000 -2.305) 2.626 13.043 ( -1.258 0.000 2.305) 2.626 13.078 ( 4.239 0.000 -1.051) 4.367 13.078 ( 4.239 0.000 1.051) 4.367 13.396 ( -2.487 0.000 -4.030) 4.736 13.396 ( -2.487 0.000 4.030) 4.736 13.717 ( 2.813 0.000 -1.635) 3.254 13.717 ( 2.813 0.000 1.635) 3.254 13.783 ( 2.058 0.000 -1.436) 2.509 13.783 ( 2.058 0.000 1.436) 2.509 13.907 ( -2.757 0.000 -2.618) 3.802 13.907 ( -2.757 0.000 2.618) 3.802 14.015 ( -0.135 0.000 -0.937) 0.947 14.015 ( -0.135 0.000 0.937) 0.947 14.147 ( 1.990 0.000 -0.593) 2.076 14.147 ( 1.990 0.000 0.593) 2.076 14.274 ( 3.002 0.000 -0.487) 3.041 14.274 ( 3.002 0.000 0.487) 3.041 14.468 ( -1.693 0.000 -2.596) 3.099 14.468 ( -1.693 0.000 2.596) 3.099 14.655 ( -6.935 0.000 -7.789) 10.429 14.655 ( -6.935 0.000 7.789) 10.429 14.832 ( 1.740 0.000 -4.474) 4.800 14.832 ( 1.740 0.000 4.474) 4.800 14.977 ( -3.032 0.000 -2.219) 3.758 14.977 ( -3.032 0.000 2.219) 3.758 16.577 ( 3.708 0.000 -9.152) 9.875 16.577 ( 3.708 0.000 9.152) 9.875 16.726 ( -0.065 0.000 -3.973) 3.973 16.726 ( -0.065 0.000 3.973) 3.973 16.859 ( -2.563 0.000 -1.551) 2.996 16.859 ( -2.563 0.000 1.551) 2.996 16.930 ( -3.402 0.000 -3.666) 5.001 16.930 ( -3.402 0.000 3.666) 5.001 17.803 ( 7.311 0.000 -0.969) 7.375 17.803 ( 7.311 0.000 0.969) 7.375 18.081 ( -1.391 0.000 -0.116) 1.395 18.081 ( -1.391 0.000 0.116) 1.395 18.956 ( -0.591 0.000 -2.983) 3.042 18.956 ( -0.591 0.000 2.983) 3.042 18.997 ( -1.430 0.000 -0.133) 1.436 18.997 ( -1.430 0.000 0.133) 1.436 22.586 ( 5.122 0.000 -2.026) 5.508 22.586 ( 5.122 0.000 2.026) 5.508 22.818 ( -1.691 0.000 -3.306) 3.713 22.818 ( -1.691 0.000 3.306) 3.713 23.413 ( 1.287 0.000 -0.620) 1.429 23.413 ( 1.287 0.000 0.620) 1.429 23.478 ( -0.055 0.000 -1.250) 1.251 23.478 ( -0.055 0.000 1.250) 1.251 24.350 ( 2.179 0.000 -2.053) 2.994 24.350 ( 2.179 0.000 2.053) 2.994 24.489 ( -0.473 0.000 -4.750) 4.774 24.489 ( -0.473 0.000 4.750) 4.774 25.006 ( -6.476 0.000 -8.501) 10.687 25.006 ( -6.476 0.000 8.501) 10.687 25.112 ( -7.676 0.000 -7.873) 10.996 25.112 ( -7.676 0.000 7.873) 10.996 26.349 ( 5.672 0.000 -1.066) 5.771 26.349 ( 5.672 0.000 1.066) 5.771 26.693 ( -5.249 0.000 -1.239) 5.394 26.693 ( -5.249 0.000 1.239) 5.394 27.097 ( 7.577 0.000 -5.372) 9.288 27.097 ( 7.577 0.000 5.372) 9.288 27.316 ( 1.089 0.000 -4.073) 4.216 27.316 ( 1.089 0.000 4.073) 4.216 ======================= Grid point 111 (40/48) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 10.226 0.000 -18.589) 21.216 1.948 ( 10.226 0.000 18.589) 21.216 2.197 ( -13.916 0.000 -6.082) 15.187 2.197 ( -13.916 0.000 6.082) 15.187 2.556 ( 12.160 0.000 -7.536) 14.306 2.556 ( 12.160 0.000 7.536) 14.306 2.726 ( -2.664 0.000 -3.565) 4.450 2.726 ( -2.664 0.000 3.565) 4.450 2.882 ( -0.386 0.000 -0.200) 0.435 2.882 ( -0.386 0.000 0.200) 0.435 2.959 ( -6.688 0.000 -2.029) 6.989 2.959 ( -6.688 0.000 2.029) 6.989 3.156 ( 1.314 0.000 -1.528) 2.015 3.156 ( 1.314 0.000 1.528) 2.015 3.186 ( -1.501 0.000 -0.159) 1.510 3.186 ( -1.501 0.000 0.159) 1.510 3.979 ( 12.494 0.000 -3.214) 12.901 3.979 ( 12.494 0.000 3.214) 12.901 4.127 ( 1.295 0.000 -0.309) 1.331 4.127 ( 1.295 0.000 0.309) 1.331 4.436 ( 3.361 0.000 -5.462) 6.414 4.436 ( 3.361 0.000 5.462) 6.414 4.547 ( -3.667 0.000 -4.603) 5.885 4.547 ( -3.667 0.000 4.603) 5.885 4.640 ( 0.621 0.000 -2.901) 2.967 4.640 ( 0.621 0.000 2.901) 2.967 4.732 ( -0.654 0.000 -2.006) 2.110 4.732 ( -0.654 0.000 2.006) 2.110 4.872 ( 3.730 0.000 -4.308) 5.698 4.872 ( 3.730 0.000 4.308) 5.698 4.988 ( 3.546 0.000 -0.030) 3.547 4.988 ( 3.546 0.000 0.030) 3.547 5.098 ( 6.484 0.000 -2.064) 6.805 5.098 ( 6.484 0.000 2.064) 6.805 5.394 ( -13.061 0.000 -7.119) 14.875 5.394 ( -13.061 0.000 7.119) 14.875 5.589 ( 5.114 0.000 -1.891) 5.453 5.589 ( 5.114 0.000 1.891) 5.453 5.745 ( -8.469 0.000 -0.408) 8.479 5.745 ( -8.469 0.000 0.408) 8.479 6.108 ( 5.534 0.000 -5.715) 7.955 6.108 ( 5.534 0.000 5.715) 7.955 6.163 ( 3.162 0.000 -0.572) 3.213 6.163 ( 3.162 0.000 0.572) 3.213 6.279 ( -1.537 0.000 -1.443) 2.108 6.279 ( -1.537 0.000 1.443) 2.108 6.342 ( -9.227 0.000 -2.123) 9.468 6.342 ( -9.227 0.000 2.123) 9.468 6.719 ( 0.590 0.000 -0.837) 1.024 6.719 ( 0.590 0.000 0.837) 1.024 6.753 ( -3.087 0.000 -3.166) 4.422 6.753 ( -3.087 0.000 3.166) 4.422 7.514 ( 11.988 0.000 -2.700) 12.288 7.514 ( 11.988 0.000 2.700) 12.288 7.629 ( 2.491 0.000 -4.349) 5.012 7.629 ( 2.491 0.000 4.349) 5.012 7.981 ( 0.723 0.000 -0.878) 1.137 7.981 ( 0.723 0.000 0.878) 1.137 8.039 ( -7.566 0.000 -2.953) 8.122 8.039 ( -7.566 0.000 2.953) 8.122 8.299 ( 6.119 0.000 -2.295) 6.536 8.299 ( 6.119 0.000 2.295) 6.536 8.432 ( -5.161 0.000 -5.953) 7.879 8.432 ( -5.161 0.000 5.953) 7.879 8.732 ( 3.461 0.000 -5.667) 6.640 8.732 ( 3.461 0.000 5.667) 6.640 8.831 ( -5.594 0.000 -1.627) 5.826 8.831 ( -5.594 0.000 1.627) 5.826 9.223 ( 5.789 0.000 -1.656) 6.021 9.223 ( 5.789 0.000 1.656) 6.021 9.298 ( -2.228 0.000 -0.345) 2.255 9.298 ( -2.228 0.000 0.345) 2.255 9.506 ( 0.553 0.000 -2.738) 2.794 9.506 ( 0.553 0.000 2.738) 2.794 9.568 ( -3.866 0.000 -4.161) 5.680 9.568 ( -3.866 0.000 4.161) 5.680 10.265 ( 3.753 0.000 -6.938) 7.888 10.265 ( 3.753 0.000 6.938) 7.888 10.354 ( -4.715 0.000 -8.176) 9.438 10.354 ( -4.715 0.000 8.176) 9.438 10.689 ( 6.309 0.000 -5.448) 8.336 10.689 ( 6.309 0.000 5.448) 8.336 10.798 ( -4.605 0.000 -4.944) 6.757 10.798 ( -4.605 0.000 4.944) 6.757 11.257 ( 4.991 0.000 -4.335) 6.610 11.257 ( 4.991 0.000 4.335) 6.610 11.346 ( -2.934 0.000 -3.548) 4.604 11.346 ( -2.934 0.000 3.548) 4.604 11.618 ( 1.868 0.000 -8.337) 8.543 11.618 ( 1.868 0.000 8.337) 8.543 11.690 ( -4.879 0.000 -8.038) 9.403 11.690 ( -4.879 0.000 8.038) 9.403 11.981 ( 2.180 0.000 -1.459) 2.623 11.981 ( 2.180 0.000 1.459) 2.623 12.040 ( -3.266 0.000 -1.342) 3.531 12.040 ( -3.266 0.000 1.342) 3.531 12.490 ( 1.832 0.000 -1.821) 2.583 12.490 ( 1.832 0.000 1.821) 2.583 12.553 ( -4.213 0.000 -2.956) 5.146 12.553 ( -4.213 0.000 2.956) 5.146 13.039 ( 1.335 0.000 -4.785) 4.967 13.039 ( 1.335 0.000 4.785) 4.967 13.060 ( 0.196 0.000 -3.269) 3.275 13.060 ( 0.196 0.000 3.269) 3.275 13.212 ( 7.361 0.000 -3.818) 8.292 13.212 ( 7.361 0.000 3.818) 8.292 13.328 ( -4.482 0.000 -5.266) 6.916 13.328 ( -4.482 0.000 5.266) 6.916 13.769 ( 2.643 0.000 -3.708) 4.554 13.769 ( 2.643 0.000 3.708) 4.554 13.812 ( -0.772 0.000 -1.663) 1.833 13.812 ( -0.772 0.000 1.663) 1.833 13.885 ( 1.932 0.000 -1.334) 2.348 13.885 ( 1.932 0.000 1.334) 2.348 13.959 ( -4.294 0.000 -0.507) 4.324 13.959 ( -4.294 0.000 0.507) 4.324 14.225 ( 4.818 0.000 -1.376) 5.011 14.225 ( 4.818 0.000 1.376) 5.011 14.298 ( -1.560 0.000 -1.137) 1.930 14.298 ( -1.560 0.000 1.137) 1.930 14.457 ( 1.548 0.000 -4.022) 4.309 14.457 ( 1.548 0.000 4.022) 4.309 14.530 ( -5.425 0.000 -6.288) 8.305 14.530 ( -5.425 0.000 6.288) 8.305 14.869 ( 2.094 0.000 -4.840) 5.274 14.869 ( 2.094 0.000 4.840) 5.274 14.917 ( -2.828 0.000 -3.912) 4.827 14.917 ( -2.828 0.000 3.912) 4.827 16.649 ( 3.444 0.000 -9.067) 9.699 16.649 ( 3.444 0.000 9.067) 9.699 16.706 ( -2.118 0.000 -7.198) 7.503 16.706 ( -2.118 0.000 7.198) 7.503 16.837 ( 0.486 0.000 -1.485) 1.563 16.837 ( 0.486 0.000 1.485) 1.563 16.870 ( -2.575 0.000 -2.380) 3.507 16.870 ( -2.575 0.000 2.380) 3.507 17.937 ( 6.052 0.000 -1.109) 6.152 17.937 ( 6.052 0.000 1.109) 6.152 18.033 ( -3.626 0.000 -0.639) 3.681 18.033 ( -3.626 0.000 0.639) 3.681 18.953 ( 0.343 0.000 -1.603) 1.639 18.953 ( 0.343 0.000 1.603) 1.639 18.969 ( -1.238 0.000 -0.546) 1.353 18.969 ( -1.238 0.000 0.546) 1.353 22.687 ( 4.900 0.000 -2.772) 5.630 22.687 ( 4.900 0.000 2.772) 5.630 22.769 ( -3.370 0.000 -3.294) 4.712 22.769 ( -3.370 0.000 3.294) 4.712 23.442 ( 1.529 0.000 -0.623) 1.651 23.442 ( 1.529 0.000 0.623) 1.651 23.468 ( -1.022 0.000 -0.994) 1.426 23.468 ( -1.022 0.000 0.994) 1.426 24.404 ( 3.161 0.000 -2.989) 4.351 24.404 ( 3.161 0.000 2.989) 4.351 24.462 ( -2.381 0.000 -3.547) 4.272 24.462 ( -2.381 0.000 3.547) 4.272 24.930 ( -0.528 0.000 -9.805) 9.819 24.930 ( -0.528 0.000 9.805) 9.819 24.982 ( -5.212 0.000 -8.965) 10.370 24.982 ( -5.212 0.000 8.965) 10.370 26.470 ( 6.260 0.000 -0.864) 6.320 26.470 ( 6.260 0.000 0.864) 6.320 26.587 ( -5.643 0.000 -0.320) 5.652 26.587 ( -5.643 0.000 0.320) 5.652 27.227 ( 5.416 0.000 -5.197) 7.506 27.227 ( 5.416 0.000 5.197) 7.506 27.304 ( -2.327 0.000 -4.719) 5.261 27.304 ( -2.327 0.000 4.719) 5.261 ======================= Grid point 119 (41/48) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.000 10.320 -28.449) 30.263 1.995 ( 0.000 10.320 28.449) 30.263 2.001 ( 0.000 3.667 -31.215) 31.430 2.001 ( 0.000 3.667 31.215) 31.430 2.546 ( 0.000 -7.590 -8.894) 11.693 2.546 ( 0.000 -7.590 8.894) 11.693 2.716 ( 0.000 3.445 -17.794) 18.124 2.716 ( 0.000 3.445 17.794) 18.124 2.919 ( 0.000 1.687 -3.109) 3.537 2.919 ( 0.000 1.687 3.109) 3.537 2.964 ( 0.000 -3.659 -10.452) 11.074 2.964 ( 0.000 -3.659 10.452) 11.074 3.024 ( 0.000 0.858 -8.401) 8.445 3.024 ( 0.000 0.858 8.401) 8.445 3.347 ( 0.000 -2.618 -2.801) 3.834 3.347 ( 0.000 -2.618 2.801) 3.834 3.808 ( 0.000 3.415 -9.254) 9.864 3.808 ( 0.000 3.415 9.254) 9.864 3.890 ( 0.000 5.189 -10.631) 11.829 3.890 ( 0.000 5.189 10.631) 11.829 4.147 ( 0.000 0.158 -3.594) 3.597 4.147 ( 0.000 0.158 3.594) 3.597 4.294 ( 0.000 2.259 -4.986) 5.474 4.294 ( 0.000 2.259 4.986) 5.474 4.355 ( 0.000 -4.579 -10.666) 11.607 4.355 ( 0.000 -4.579 10.666) 11.607 4.524 ( 0.000 -0.306 -9.823) 9.828 4.524 ( 0.000 -0.306 9.823) 9.828 4.784 ( 0.000 3.628 -12.724) 13.231 4.784 ( 0.000 3.628 12.724) 13.231 5.216 ( 0.000 -2.245 -5.730) 6.154 5.216 ( 0.000 -2.245 5.730) 6.154 5.560 ( 0.000 -2.929 -9.698) 10.131 5.560 ( 0.000 -2.929 9.698) 10.131 5.568 ( 0.000 0.517 -2.872) 2.918 5.568 ( 0.000 0.517 2.872) 2.918 5.681 ( 0.000 0.030 -7.033) 7.033 5.681 ( 0.000 0.030 7.033) 7.033 5.779 ( 0.000 -2.164 -1.790) 2.809 5.779 ( 0.000 -2.164 1.790) 2.809 6.013 ( 0.000 -2.683 -3.390) 4.323 6.013 ( 0.000 -2.683 3.390) 4.323 6.035 ( 0.000 -2.333 -7.334) 7.696 6.035 ( 0.000 -2.333 7.334) 7.696 6.396 ( 0.000 0.384 -0.860) 0.942 6.396 ( 0.000 0.384 0.860) 0.942 6.457 ( 0.000 -4.041 -3.698) 5.477 6.457 ( 0.000 -4.041 3.698) 5.477 6.836 ( 0.000 6.069 -8.697) 10.606 6.836 ( 0.000 6.069 8.697) 10.606 6.851 ( 0.000 4.371 -9.131) 10.123 6.851 ( 0.000 4.371 9.131) 10.123 6.981 ( 0.000 2.116 -5.451) 5.847 6.981 ( 0.000 2.116 5.451) 5.847 7.268 ( 0.000 -0.402 -3.022) 3.048 7.268 ( 0.000 -0.402 3.022) 3.048 7.822 ( 0.000 -3.169 -2.003) 3.749 7.822 ( 0.000 -3.169 2.003) 3.749 8.069 ( 0.000 -8.538 -12.767) 15.359 8.069 ( 0.000 -8.538 12.767) 15.359 8.275 ( 0.000 2.460 -6.906) 7.332 8.275 ( 0.000 2.460 6.906) 7.332 8.473 ( 0.000 -10.141 -1.215) 10.213 8.473 ( 0.000 -10.141 1.215) 10.213 8.699 ( 0.000 2.341 -2.893) 3.721 8.699 ( 0.000 2.341 2.893) 3.721 8.912 ( 0.000 3.216 -5.736) 6.576 8.912 ( 0.000 3.216 5.736) 6.576 9.238 ( 0.000 5.127 -0.895) 5.205 9.238 ( 0.000 5.127 0.895) 5.205 9.399 ( 0.000 1.437 -8.557) 8.677 9.399 ( 0.000 1.437 8.557) 8.677 9.688 ( 0.000 3.002 -5.613) 6.366 9.688 ( 0.000 3.002 5.613) 6.366 9.728 ( 0.000 2.023 -6.877) 7.169 9.728 ( 0.000 2.023 6.877) 7.169 10.224 ( 0.000 2.219 -3.935) 4.518 10.224 ( 0.000 2.219 3.935) 4.518 10.243 ( 0.000 0.106 -8.657) 8.658 10.243 ( 0.000 0.106 8.657) 8.658 10.630 ( 0.000 3.157 -4.357) 5.381 10.630 ( 0.000 3.157 4.357) 5.381 10.956 ( 0.000 -4.731 -5.985) 7.629 10.956 ( 0.000 -4.731 5.985) 7.629 11.120 ( 0.000 -0.239 -4.376) 4.383 11.120 ( 0.000 -0.239 4.376) 4.383 11.145 ( 0.000 -0.041 -8.637) 8.637 11.145 ( 0.000 -0.041 8.637) 8.637 11.738 ( 0.000 2.856 -4.811) 5.595 11.738 ( 0.000 2.856 4.811) 5.595 11.839 ( 0.000 -0.050 -3.350) 3.351 11.839 ( 0.000 -0.050 3.350) 3.351 12.066 ( 0.000 -1.759 -2.532) 3.083 12.066 ( 0.000 -1.759 2.532) 3.083 12.086 ( 0.000 -2.337 -1.633) 2.851 12.086 ( 0.000 -2.337 1.633) 2.851 12.587 ( 0.000 0.069 -8.076) 8.076 12.587 ( 0.000 0.069 8.076) 8.076 12.628 ( 0.000 -4.112 -8.624) 9.554 12.628 ( 0.000 -4.112 8.624) 9.554 12.830 ( 0.000 0.645 -2.581) 2.661 12.830 ( 0.000 0.645 2.581) 2.661 12.905 ( 0.000 2.461 -2.685) 3.642 12.905 ( 0.000 2.461 2.685) 3.642 13.240 ( 0.000 -3.072 -7.675) 8.267 13.240 ( 0.000 -3.072 7.675) 8.267 13.318 ( 0.000 -4.009 -4.526) 6.046 13.318 ( 0.000 -4.009 4.526) 6.046 13.664 ( 0.000 3.036 -4.485) 5.416 13.664 ( 0.000 3.036 4.485) 5.416 13.765 ( 0.000 0.743 -1.830) 1.975 13.765 ( 0.000 0.743 1.830) 1.975 13.925 ( 0.000 -3.654 -5.471) 6.579 13.925 ( 0.000 -3.654 5.471) 6.579 13.926 ( 0.000 0.305 -3.029) 3.044 13.926 ( 0.000 0.305 3.029) 3.044 14.214 ( 0.000 1.443 -1.355) 1.979 14.214 ( 0.000 1.443 1.355) 1.979 14.261 ( 0.000 8.577 -7.135) 11.157 14.261 ( 0.000 8.577 7.135) 11.157 14.543 ( 0.000 3.145 -3.180) 4.473 14.543 ( 0.000 3.145 3.180) 4.473 14.692 ( 0.000 -6.408 -5.083) 8.180 14.692 ( 0.000 -6.408 5.083) 8.180 14.880 ( 0.000 0.909 -6.733) 6.794 14.880 ( 0.000 0.909 6.733) 6.794 15.001 ( 0.000 -3.697 -0.979) 3.824 15.001 ( 0.000 -3.697 0.979) 3.824 16.509 ( 0.000 2.341 -6.466) 6.877 16.509 ( 0.000 2.341 6.466) 6.877 16.695 ( 0.000 -2.256 -1.717) 2.835 16.695 ( 0.000 -2.256 1.717) 2.835 16.954 ( 0.000 -0.267 -0.303) 0.403 16.954 ( 0.000 -0.267 0.303) 0.403 16.988 ( 0.000 -2.406 -4.472) 5.078 16.988 ( 0.000 -2.406 4.472) 5.078 17.710 ( 0.000 9.096 -1.910) 9.295 17.710 ( 0.000 9.096 1.910) 9.295 18.079 ( 0.000 -1.826 -1.601) 2.429 18.079 ( 0.000 -1.826 1.601) 2.429 18.980 ( 0.000 0.141 -4.337) 4.339 18.980 ( 0.000 0.141 4.337) 4.339 19.022 ( 0.000 -0.847 -0.843) 1.195 19.022 ( 0.000 -0.847 0.843) 1.195 22.502 ( 0.000 3.630 -1.045) 3.777 22.502 ( 0.000 3.630 1.045) 3.777 22.806 ( 0.000 -3.829 -2.192) 4.412 22.806 ( 0.000 -3.829 2.192) 4.412 23.398 ( 0.000 1.169 -1.629) 2.005 23.398 ( 0.000 1.169 1.629) 2.005 23.464 ( 0.000 -0.605 -1.413) 1.537 23.464 ( 0.000 -0.605 1.413) 1.537 24.326 ( 0.000 1.605 -1.161) 1.981 24.326 ( 0.000 1.605 1.161) 1.981 24.475 ( 0.000 -1.722 -4.966) 5.256 24.475 ( 0.000 -1.722 4.966) 5.256 25.184 ( 0.000 0.087 -4.465) 4.465 25.184 ( 0.000 0.087 4.465) 4.465 25.319 ( 0.000 -3.686 -3.360) 4.988 25.319 ( 0.000 -3.686 3.360) 4.988 26.273 ( 0.000 3.714 -4.588) 5.903 26.273 ( 0.000 3.714 4.588) 5.903 26.731 ( 0.000 -9.110 -3.045) 9.606 26.731 ( 0.000 -9.110 3.045) 9.606 26.923 ( 0.000 3.319 -1.667) 3.714 26.923 ( 0.000 3.319 1.667) 3.714 27.190 ( 0.000 -3.153 -1.591) 3.532 27.190 ( 0.000 -3.153 1.591) 3.532 ======================= Grid point 121 (42/48) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -2.714 8.243 -33.285) 34.398 1.934 ( -2.714 8.243 33.285) 34.398 2.117 ( 8.584 6.175 -25.184) 27.313 2.117 ( 8.584 6.175 25.184) 27.313 2.520 ( -2.444 -6.300 -8.889) 11.166 2.520 ( -2.444 -6.300 8.889) 11.166 2.718 ( -0.584 2.781 -9.235) 9.662 2.718 ( -0.584 2.781 9.235) 9.662 2.874 ( -1.396 -3.149 -3.010) 4.575 2.874 ( -1.396 -3.149 3.010) 4.575 3.018 ( 1.845 -4.632 -7.283) 8.826 3.018 ( 1.845 -4.632 7.283) 8.826 3.117 ( 6.927 1.878 -11.816) 13.825 3.117 ( 6.927 1.878 11.816) 13.825 3.299 ( -2.493 -1.457 -0.310) 2.904 3.299 ( -2.493 -1.457 0.310) 2.904 3.740 ( -5.541 3.353 -7.409) 9.840 3.740 ( -5.541 3.353 7.409) 9.840 3.960 ( 2.695 0.604 -4.638) 5.398 3.960 ( 2.695 0.604 4.638) 5.398 4.164 ( 5.552 2.244 -3.284) 6.830 4.164 ( 5.552 2.244 3.284) 6.830 4.286 ( 3.300 4.569 -5.950) 8.196 4.286 ( 3.300 4.569 5.950) 8.196 4.468 ( 6.564 -3.400 -7.475) 10.513 4.468 ( 6.564 -3.400 7.475) 10.513 4.536 ( 3.194 -0.136 -7.023) 7.716 4.536 ( 3.194 -0.136 7.023) 7.716 4.807 ( 2.318 1.606 -12.164) 12.486 4.807 ( 2.318 1.606 12.164) 12.486 5.141 ( -7.171 -0.006 -5.877) 9.272 5.141 ( -7.171 -0.006 5.877) 9.272 5.405 ( -10.320 -5.352 -4.991) 12.651 5.405 ( -10.320 -5.352 4.991) 12.651 5.536 ( -3.909 -2.373 -3.735) 5.904 5.536 ( -3.909 -2.373 3.735) 5.904 5.724 ( -1.857 -0.149 -2.662) 3.249 5.724 ( -1.857 -0.149 2.662) 3.249 5.787 ( 1.388 -1.666 -3.138) 3.814 5.787 ( 1.388 -1.666 3.138) 3.814 5.963 ( 5.717 2.802 -2.283) 6.764 5.963 ( 5.717 2.802 2.283) 6.764 6.199 ( 4.463 -0.629 -2.679) 5.243 6.199 ( 4.463 -0.629 2.679) 5.243 6.381 ( -5.014 0.847 -2.192) 5.537 6.381 ( -5.014 0.847 2.192) 5.537 6.494 ( 5.288 -2.330 -2.005) 6.116 6.494 ( 5.288 -2.330 2.005) 6.116 6.798 ( -3.752 2.484 -6.175) 7.640 6.798 ( -3.752 2.484 6.175) 7.640 6.877 ( -0.169 2.253 -8.901) 9.183 6.877 ( -0.169 2.253 8.901) 9.183 7.011 ( 6.873 2.424 -4.550) 8.592 7.011 ( 6.873 2.424 4.550) 8.592 7.312 ( 5.302 0.114 -1.377) 5.479 7.312 ( 5.302 0.114 1.377) 5.479 7.856 ( 2.904 -2.775 -2.389) 4.673 7.856 ( 2.904 -2.775 2.389) 4.673 8.083 ( 1.205 -8.498 -11.144) 14.066 8.083 ( 1.205 -8.498 11.144) 14.066 8.297 ( 1.687 1.659 -6.402) 6.825 8.297 ( 1.687 1.659 6.402) 6.825 8.466 ( -0.749 -4.952 -1.834) 5.334 8.466 ( -0.749 -4.952 1.834) 5.334 8.723 ( 1.907 1.097 -1.019) 2.424 8.723 ( 1.907 1.097 1.019) 2.424 8.917 ( 1.144 1.644 -4.456) 4.885 8.917 ( 1.144 1.644 4.456) 4.885 9.192 ( -4.398 6.308 -2.286) 8.023 9.192 ( -4.398 6.308 2.286) 8.023 9.400 ( -0.720 1.038 -5.842) 5.977 9.400 ( -0.720 1.038 5.842) 5.977 9.612 ( -5.162 1.483 -3.050) 6.176 9.612 ( -5.162 1.483 3.050) 6.176 9.695 ( -3.887 1.043 -4.656) 6.155 9.695 ( -3.887 1.043 4.656) 6.155 10.211 ( 0.322 1.156 -5.236) 5.371 10.211 ( 0.322 1.156 5.236) 5.371 10.330 ( 5.760 0.229 -3.799) 6.904 10.330 ( 5.760 0.229 3.799) 6.904 10.591 ( -2.652 2.310 -3.671) 5.084 10.591 ( -2.652 2.310 3.671) 5.084 10.916 ( -3.907 -5.782 -4.758) 8.445 10.916 ( -3.907 -5.782 4.758) 8.445 11.105 ( 1.891 2.669 -8.057) 8.695 11.105 ( 1.891 2.669 8.057) 8.695 11.243 ( 5.272 -2.231 -5.748) 8.113 11.243 ( 5.272 -2.231 5.748) 8.113 11.714 ( -2.280 2.500 -4.706) 5.796 11.714 ( -2.280 2.500 4.706) 5.796 11.827 ( -1.343 -0.144 -3.401) 3.659 11.827 ( -1.343 -0.144 3.401) 3.659 12.018 ( -2.911 -1.447 -2.577) 4.148 12.018 ( -2.911 -1.447 2.577) 4.148 12.104 ( 0.253 -1.102 -1.654) 2.004 12.104 ( 0.253 -1.102 1.654) 2.004 12.541 ( -2.899 0.272 -6.885) 7.475 12.541 ( -2.899 0.272 6.885) 7.475 12.659 ( 1.030 -2.557 -6.825) 7.360 12.659 ( 1.030 -2.557 6.825) 7.360 12.842 ( 3.110 0.455 -1.069) 3.320 12.842 ( 3.110 0.455 1.069) 3.320 12.969 ( 4.733 0.449 -0.963) 4.851 12.969 ( 4.733 0.449 0.963) 4.851 13.143 ( -5.382 -0.451 -5.686) 7.842 13.143 ( -5.382 -0.451 5.686) 7.842 13.378 ( 2.153 -3.831 -4.706) 6.439 13.378 ( 2.153 -3.831 4.706) 6.439 13.674 ( 1.160 1.811 -2.963) 3.661 13.674 ( 1.160 1.811 2.963) 3.661 13.772 ( 0.674 0.904 -1.787) 2.113 13.772 ( 0.674 0.904 1.787) 2.113 13.925 ( 0.172 -1.830 -3.817) 4.237 13.925 ( 0.172 -1.830 3.817) 4.237 13.966 ( 2.852 -0.813 -3.732) 4.767 13.966 ( 2.852 -0.813 3.732) 4.767 14.196 ( -1.149 3.230 -2.801) 4.427 14.196 ( -1.149 3.230 2.801) 4.427 14.266 ( 0.529 5.476 -4.385) 7.035 14.266 ( 0.529 5.476 4.385) 7.035 14.532 ( -1.133 3.140 -2.815) 4.367 14.532 ( -1.133 3.140 2.815) 4.367 14.689 ( -0.977 -5.922 -6.124) 8.575 14.689 ( -0.977 -5.922 6.124) 8.575 14.837 ( -3.117 0.601 -4.631) 5.615 14.837 ( -3.117 0.601 4.631) 5.615 14.990 ( -1.391 -3.459 -0.919) 3.840 14.990 ( -1.391 -3.459 0.919) 3.840 16.533 ( 2.288 2.019 -7.006) 7.642 16.533 ( 2.288 2.019 7.006) 7.642 16.700 ( 0.463 -2.113 -2.039) 2.973 16.700 ( 0.463 -2.113 2.039) 2.973 16.919 ( -2.844 -0.001 -0.451) 2.879 16.919 ( -2.844 -0.001 0.451) 2.879 16.972 ( -1.841 -1.684 -3.930) 4.655 16.972 ( -1.841 -1.684 3.930) 4.655 17.755 ( 4.219 7.720 -1.791) 8.978 17.755 ( 4.219 7.720 1.791) 8.978 18.081 ( 0.050 -1.566 -1.326) 2.053 18.081 ( 0.050 -1.566 1.326) 2.053 18.971 ( -0.773 0.094 -3.833) 3.911 18.971 ( -0.773 0.094 3.833) 3.911 19.012 ( -0.932 -0.869 -0.680) 1.444 19.012 ( -0.932 -0.869 0.680) 1.444 22.535 ( 3.170 3.487 -1.224) 4.869 22.535 ( 3.170 3.487 1.224) 4.869 22.809 ( 0.252 -3.055 -2.416) 3.903 22.809 ( 0.252 -3.055 2.416) 3.903 23.400 ( 0.278 0.738 -1.333) 1.549 23.400 ( 0.278 0.738 1.333) 1.549 23.466 ( 0.154 -0.810 -1.479) 1.694 23.466 ( 0.154 -0.810 1.479) 1.694 24.334 ( 0.840 1.493 -1.353) 2.183 24.334 ( 0.840 1.493 1.353) 2.183 24.475 ( 0.019 -1.701 -4.556) 4.863 24.475 ( 0.019 -1.701 4.556) 4.863 25.133 ( -4.999 0.180 -4.667) 6.842 25.133 ( -4.999 0.180 4.667) 6.842 25.243 ( -6.689 -2.546 -4.838) 8.639 25.243 ( -6.689 -2.546 4.838) 8.639 26.297 ( 2.633 3.549 -1.469) 4.657 26.297 ( 2.633 3.549 1.469) 4.657 26.718 ( -1.928 -7.341 -1.873) 7.817 26.718 ( -1.928 -7.341 1.873) 7.817 26.969 ( 5.037 2.509 -2.257) 6.063 26.969 ( 5.037 2.509 2.257) 6.063 27.230 ( 3.167 -3.599 -2.110) 5.237 27.230 ( 3.167 -3.599 2.110) 5.237 ======================= Grid point 123 (43/48) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 1.063 8.167 -29.186) 30.325 1.909 ( 1.063 8.167 29.186) 30.325 2.321 ( 10.352 3.422 -15.924) 19.299 2.321 ( 10.352 3.422 15.924) 19.299 2.433 ( -6.269 -2.526 -5.886) 8.962 2.433 ( -6.269 -2.526 5.886) 8.962 2.704 ( 0.214 1.052 -2.370) 2.602 2.704 ( 0.214 1.052 2.370) 2.602 2.854 ( -1.352 -6.234 -3.818) 7.434 2.854 ( -1.352 -6.234 3.818) 7.434 3.021 ( -1.837 -4.606 -5.956) 7.750 3.021 ( -1.837 -4.606 5.956) 7.750 3.181 ( 0.676 2.393 -3.179) 4.036 3.181 ( 0.676 2.393 3.179) 4.036 3.262 ( -4.046 0.139 -5.192) 6.584 3.262 ( -4.046 0.139 5.192) 6.584 3.727 ( 7.280 0.732 -1.343) 7.439 3.727 ( 7.280 0.732 1.343) 7.439 3.982 ( 2.457 -4.271 -1.451) 5.137 3.982 ( 2.457 -4.271 1.451) 5.137 4.356 ( 6.541 2.325 -5.066) 8.594 4.356 ( 6.541 2.325 5.066) 8.594 4.432 ( 10.717 0.093 -9.502) 14.323 4.432 ( 10.717 0.093 9.502) 14.323 4.562 ( 5.679 -2.676 -6.983) 9.390 4.562 ( 5.679 -2.676 6.983) 9.390 4.660 ( 5.862 2.032 -3.448) 7.098 4.660 ( 5.862 2.032 3.448) 7.098 4.854 ( 2.006 1.492 -5.466) 6.011 4.854 ( 2.006 1.492 5.466) 6.011 5.016 ( -3.272 3.749 -8.394) 9.758 5.016 ( -3.272 3.749 8.394) 9.758 5.159 ( -12.060 -6.041 -10.813) 17.288 5.159 ( -12.060 -6.041 10.813) 17.288 5.499 ( 1.120 -2.852 -0.759) 3.157 5.499 ( 1.120 -2.852 0.759) 3.157 5.639 ( -6.724 2.492 -0.335) 7.179 5.639 ( -6.724 2.492 0.335) 7.179 5.816 ( -0.390 -1.870 -1.590) 2.486 5.816 ( -0.390 -1.870 1.590) 2.486 6.081 ( 5.342 2.193 -5.265) 7.814 6.081 ( 5.342 2.193 5.265) 7.814 6.180 ( -4.957 3.132 -3.224) 6.692 6.180 ( -4.957 3.132 3.224) 6.692 6.321 ( 0.536 4.600 -1.094) 4.759 6.321 ( 0.536 4.600 1.094) 4.759 6.524 ( -3.730 0.077 -2.484) 4.482 6.524 ( -3.730 0.077 2.484) 4.482 6.727 ( -2.796 0.224 -2.255) 3.599 6.727 ( -2.796 0.224 2.255) 3.599 6.811 ( -4.637 -1.787 -0.670) 5.014 6.811 ( -4.637 -1.787 0.670) 5.014 7.255 ( 15.125 2.296 -1.675) 15.390 7.255 ( 15.125 2.296 1.675) 15.390 7.479 ( 10.266 0.052 -4.173) 11.082 7.479 ( 10.266 0.052 4.173) 11.082 7.911 ( 2.215 -2.943 -4.092) 5.505 7.911 ( 2.215 -2.943 4.092) 5.505 8.088 ( -1.992 -8.583 -8.564) 12.288 8.088 ( -1.992 -8.583 8.564) 12.288 8.315 ( 0.519 4.343 -4.210) 6.071 8.315 ( 0.519 4.343 4.210) 6.071 8.465 ( 1.244 1.449 -2.639) 3.257 8.465 ( 1.244 1.449 2.639) 3.257 8.749 ( 0.584 1.584 -2.546) 3.055 8.749 ( 0.584 1.584 2.546) 3.055 8.952 ( -0.022 -0.394 -4.926) 4.942 8.952 ( -0.022 -0.394 4.926) 4.942 9.105 ( -1.588 4.770 -4.453) 6.716 9.105 ( -1.588 4.770 4.453) 6.716 9.354 ( -3.262 0.611 -0.643) 3.380 9.354 ( -3.262 0.611 0.643) 3.380 9.519 ( -4.707 -2.629 -1.833) 5.694 9.519 ( -4.707 -2.629 1.833) 5.694 9.610 ( -4.026 -1.531 -5.709) 7.151 9.610 ( -4.026 -1.531 5.709) 7.151 10.227 ( 1.342 1.232 -5.567) 5.858 10.227 ( 1.342 1.232 5.567) 5.858 10.399 ( -0.215 -1.675 -6.464) 6.681 10.399 ( -0.215 -1.675 6.464) 6.681 10.590 ( 3.497 1.771 -3.878) 5.514 10.590 ( 3.497 1.771 3.878) 5.514 10.841 ( -3.212 -3.963 -4.835) 7.029 10.841 ( -3.212 -3.963 4.835) 7.029 11.151 ( 2.197 -0.625 -6.894) 7.262 11.151 ( 2.197 -0.625 6.894) 7.262 11.317 ( 1.826 -3.116 -4.668) 5.902 11.317 ( 1.826 -3.116 4.668) 5.902 11.666 ( -1.998 3.353 -5.394) 6.659 11.666 ( -1.998 3.353 5.394) 6.659 11.780 ( -3.327 -0.529 -4.859) 5.912 11.780 ( -3.327 -0.529 4.859) 5.912 11.981 ( -0.597 0.980 -2.375) 2.638 11.981 ( -0.597 0.980 2.375) 2.638 12.088 ( -1.803 -0.577 -1.836) 2.637 12.088 ( -1.803 -0.577 1.836) 2.637 12.500 ( -0.848 1.524 -5.153) 5.441 12.500 ( -0.848 1.524 5.153) 5.441 12.646 ( -2.160 0.784 -5.290) 5.768 12.646 ( -2.160 0.784 5.290) 5.768 12.948 ( 5.627 -3.031 -3.296) 7.191 12.948 ( 5.627 -3.031 3.296) 7.191 13.022 ( 0.013 -1.980 -1.640) 2.571 13.022 ( 0.013 -1.980 1.640) 2.571 13.120 ( 4.181 3.732 -3.581) 6.651 13.120 ( 4.181 3.732 3.581) 6.651 13.381 ( -1.444 -1.963 -4.714) 5.307 13.381 ( -1.444 -1.963 4.714) 5.307 13.710 ( 2.399 0.118 -0.603) 2.477 13.710 ( 2.399 0.118 0.603) 2.477 13.794 ( 1.457 0.435 -2.180) 2.658 13.794 ( 1.457 0.435 2.180) 2.658 13.916 ( -1.037 0.723 -1.966) 2.337 13.916 ( -1.037 0.723 1.966) 2.337 14.000 ( -0.296 -1.242 -1.485) 1.958 14.000 ( -0.296 -1.242 1.485) 1.958 14.195 ( 1.567 4.177 -2.036) 4.904 14.195 ( 1.567 4.177 2.036) 4.904 14.289 ( 1.734 1.675 -1.798) 3.007 14.289 ( 1.734 1.675 1.798) 3.007 14.500 ( -1.948 3.054 -2.869) 4.621 14.500 ( -1.948 3.054 2.869) 4.621 14.625 ( -5.221 -2.835 -7.492) 9.562 14.625 ( -5.221 -2.835 7.492) 9.562 14.808 ( 0.334 -2.035 -2.138) 2.971 14.808 ( 0.334 -2.035 2.138) 2.971 14.945 ( -2.956 -3.247 -1.582) 4.667 14.945 ( -2.956 -3.247 1.582) 4.667 16.590 ( 3.327 1.332 -7.767) 8.554 16.590 ( 3.327 1.332 7.767) 8.554 16.709 ( 0.320 -1.620 -3.099) 3.512 16.709 ( 0.320 -1.620 3.099) 3.512 16.864 ( -2.426 0.526 -1.353) 2.828 16.864 ( -2.426 0.526 1.353) 2.828 16.922 ( -2.968 -0.830 -3.061) 4.343 16.922 ( -2.968 -0.830 3.061) 4.343 17.858 ( 5.785 5.055 -1.581) 7.843 17.858 ( 5.785 5.055 1.581) 7.843 18.075 ( -0.836 -0.755 -0.572) 1.263 18.075 ( -0.836 -0.755 0.572) 1.263 18.955 ( -0.705 -0.061 -2.650) 2.743 18.955 ( -0.705 -0.061 2.650) 2.743 18.988 ( -1.380 -0.839 -0.253) 1.635 18.988 ( -1.380 -0.839 0.253) 1.635 22.616 ( 4.780 2.990 -1.731) 5.898 22.616 ( 4.780 2.990 1.731) 5.898 22.807 ( -0.672 -1.271 -2.786) 3.135 22.807 ( -0.672 -1.271 2.786) 3.135 23.410 ( 0.804 -0.144 -0.855) 1.183 23.410 ( 0.804 -0.144 0.855) 1.183 23.466 ( -0.253 -1.219 -1.565) 2.000 23.466 ( -0.253 -1.219 1.565) 2.000 24.361 ( 1.952 1.154 -2.107) 3.095 24.361 ( 1.952 1.154 2.107) 3.095 24.474 ( -0.251 -1.484 -3.400) 3.718 24.474 ( -0.251 -1.484 3.400) 3.718 25.012 ( -6.145 0.727 -6.104) 8.692 25.012 ( -6.145 0.727 6.104) 8.692 25.101 ( -7.168 -1.146 -6.416) 9.688 25.101 ( -7.168 -1.146 6.416) 9.688 26.376 ( 5.154 2.781 -1.169) 5.972 26.376 ( 5.154 2.781 1.169) 5.972 26.661 ( -3.544 -3.437 -1.615) 5.195 26.661 ( -3.544 -3.437 1.615) 5.195 27.094 ( 6.693 0.153 -3.709) 7.654 27.094 ( 6.693 0.153 3.709) 7.654 27.280 ( 1.366 -3.507 -3.144) 4.904 27.280 ( 1.366 -3.507 3.144) 4.904 ======================= Grid point 125 (44/48) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.132 4.936 -16.614) 19.145 1.999 ( 8.132 4.936 16.614) 19.145 2.207 ( -11.997 0.594 -4.499) 12.827 2.207 ( -11.997 0.594 4.499) 12.827 2.566 ( 10.330 1.305 -7.679) 12.938 2.566 ( 10.330 1.305 7.679) 12.938 2.703 ( -2.628 -1.726 -3.370) 4.609 2.703 ( -2.628 -1.726 3.370) 4.609 2.842 ( 1.628 -3.735 -1.109) 4.223 2.842 ( 1.628 -3.735 1.109) 4.223 2.931 ( -6.382 -3.026 -3.614) 7.934 2.931 ( -6.382 -3.026 3.614) 7.934 3.180 ( 0.772 2.291 -0.144) 2.422 3.180 ( 0.772 2.291 0.144) 2.422 3.210 ( -1.531 1.910 -2.258) 3.330 3.210 ( -1.531 1.910 2.258) 3.330 3.933 ( 10.861 -3.647 -3.848) 12.086 3.933 ( 10.861 -3.647 3.848) 12.086 4.053 ( 1.227 -6.324 -1.070) 6.530 4.053 ( 1.227 -6.324 1.070) 6.530 4.415 ( 2.227 -1.174 -5.704) 6.235 4.415 ( 2.227 -1.174 5.704) 6.235 4.520 ( -2.465 -2.275 -3.818) 5.083 4.520 ( -2.465 -2.275 3.818) 5.083 4.607 ( 0.698 -4.102 -7.048) 8.185 4.607 ( 0.698 -4.102 7.048) 8.185 4.693 ( -3.902 -3.653 -4.855) 7.221 4.693 ( -3.902 -3.653 4.855) 7.221 4.925 ( 1.155 2.199 -1.761) 3.044 4.925 ( 1.155 2.199 1.761) 3.044 4.968 ( 1.118 0.954 -4.841) 5.060 4.968 ( 1.118 0.954 4.841) 5.060 5.167 ( 12.636 6.265 -10.744) 17.730 5.167 ( 12.636 6.265 10.744) 17.730 5.442 ( -12.750 3.893 -2.463) 13.557 5.442 ( -12.750 3.893 2.463) 13.557 5.592 ( 7.772 0.565 -0.600) 7.816 5.592 ( 7.772 0.565 0.600) 7.816 5.753 ( -6.299 0.242 -1.976) 6.607 5.753 ( -6.299 0.242 1.976) 6.607 6.133 ( 1.224 1.608 -4.849) 5.253 6.133 ( 1.224 1.608 4.849) 5.253 6.167 ( 1.535 0.332 -4.772) 5.024 6.167 ( 1.535 0.332 4.772) 5.024 6.322 ( 0.351 5.103 -2.305) 5.610 6.322 ( 0.351 5.103 2.305) 5.611 6.398 ( -6.589 4.763 -1.953) 8.362 6.398 ( -6.589 4.763 1.953) 8.362 6.697 ( -0.079 -2.188 -0.597) 2.269 6.697 ( -0.079 -2.188 0.597) 2.269 6.732 ( -3.196 -2.078 -2.552) 4.588 6.732 ( -3.196 -2.078 2.552) 4.588 7.531 ( 11.725 1.883 -4.122) 12.570 7.531 ( 11.725 1.883 4.122) 12.570 7.637 ( 3.023 0.696 -4.093) 5.136 7.637 ( 3.023 0.696 4.093) 5.136 7.933 ( 0.580 -3.475 -6.662) 7.536 7.933 ( 0.580 -3.475 6.662) 7.536 7.994 ( -5.687 -4.270 -7.207) 10.125 7.994 ( -5.687 -4.270 7.207) 10.125 8.370 ( 5.143 6.108 -1.327) 8.094 8.370 ( 5.143 6.108 1.327) 8.094 8.468 ( -2.864 2.991 -4.627) 6.209 8.468 ( -2.864 2.991 4.627) 6.209 8.772 ( 3.017 3.022 -5.181) 6.714 8.772 ( 3.017 3.022 5.181) 6.714 8.868 ( -5.911 3.201 -5.395) 8.619 8.868 ( -5.911 3.201 5.395) 8.619 9.176 ( 5.962 -2.925 -1.699) 6.855 9.176 ( 5.962 -2.925 1.699) 6.855 9.287 ( -4.540 -1.227 -2.315) 5.241 9.287 ( -4.540 -1.227 2.315) 5.241 9.457 ( 0.411 -4.796 -2.897) 5.618 9.457 ( 0.411 -4.796 2.897) 5.618 9.526 ( -4.779 -4.334 -4.908) 8.106 9.526 ( -4.779 -4.334 4.908) 8.106 10.271 ( 3.223 0.725 -5.513) 6.427 10.271 ( 3.223 0.725 5.513) 6.427 10.346 ( -3.967 -0.810 -6.514) 7.670 10.346 ( -3.967 -0.810 6.514) 7.670 10.689 ( 5.433 0.265 -4.619) 7.136 10.689 ( 5.433 0.265 4.619) 7.136 10.781 ( -3.651 -1.468 -4.205) 5.759 10.781 ( -3.651 -1.468 4.205) 5.759 11.208 ( 4.182 -4.007 -2.680) 6.382 11.208 ( 4.182 -4.007 2.680) 6.382 11.298 ( -3.741 -4.734 -1.813) 6.301 11.298 ( -3.741 -4.734 1.813) 6.301 11.659 ( 1.543 3.623 -4.359) 5.875 11.659 ( 1.543 3.623 4.359) 5.875 11.712 ( -3.332 1.823 -4.475) 5.870 11.712 ( -3.332 1.823 4.475) 5.870 11.993 ( 1.664 1.113 -0.624) 2.097 11.993 ( 1.664 1.113 0.624) 2.097 12.040 ( -2.814 -0.076 -1.348) 3.121 12.040 ( -2.814 -0.076 1.348) 3.121 12.517 ( 2.495 2.888 -1.584) 4.132 12.517 ( 2.495 2.888 1.584) 4.132 12.584 ( -3.787 2.947 -2.500) 5.411 12.584 ( -3.787 2.947 2.500) 5.411 13.008 ( 1.771 -3.159 -3.215) 4.843 13.008 ( 1.771 -3.159 3.215) 4.843 13.032 ( -0.093 -2.615 -2.127) 3.372 13.032 ( -0.093 -2.615 2.127) 3.372 13.236 ( 6.229 2.174 -2.287) 6.983 13.236 ( 6.229 2.174 2.287) 6.983 13.333 ( -3.538 0.139 -4.667) 5.857 13.333 ( -3.538 0.139 4.667) 5.857 13.765 ( 3.035 -0.090 -2.973) 4.249 13.765 ( 3.035 -0.090 2.973) 4.249 13.810 ( -0.727 -0.291 -0.952) 1.233 13.810 ( -0.727 -0.291 0.952) 1.233 13.906 ( 0.991 1.708 -2.368) 3.083 13.906 ( 0.991 1.708 2.368) 3.083 13.957 ( -3.273 0.010 -1.978) 3.824 13.957 ( -3.273 0.010 1.978) 3.824 14.255 ( 3.830 2.663 -2.254) 5.181 14.255 ( 3.830 2.663 2.254) 5.181 14.308 ( -0.720 0.863 -2.140) 2.417 14.308 ( -0.720 0.863 2.140) 2.417 14.474 ( 0.114 1.907 -4.613) 4.993 14.474 ( 0.114 1.907 4.613) 4.993 14.522 ( -4.438 -0.557 -6.450) 7.849 14.522 ( -4.438 -0.557 6.450) 7.849 14.834 ( 2.059 -3.282 -2.112) 4.413 14.834 ( 2.059 -3.282 2.112) 4.413 14.884 ( -3.003 -3.284 -2.012) 4.884 14.884 ( -3.003 -3.284 2.012) 4.884 16.655 ( 3.023 0.567 -7.441) 8.051 16.655 ( 3.023 0.567 7.441) 8.051 16.701 ( -1.438 -0.508 -5.391) 5.602 16.701 ( -1.438 -0.508 5.391) 5.602 16.839 ( 0.176 0.228 -0.731) 0.786 16.839 ( 0.176 0.228 0.731) 0.786 16.867 ( -2.368 -0.311 -1.836) 3.013 16.867 ( -2.368 -0.311 1.836) 3.013 17.965 ( 4.875 2.595 -1.153) 5.641 17.965 ( 4.875 2.595 1.153) 5.641 18.041 ( -2.763 0.644 -0.379) 2.862 18.041 ( -2.763 0.644 0.379) 2.862 18.949 ( 0.181 -0.338 -1.391) 1.442 18.949 ( 0.181 -0.338 1.391) 1.442 18.963 ( -1.102 -0.648 -0.413) 1.343 18.963 ( -1.102 -0.648 0.413) 1.343 22.708 ( 4.323 2.036 -2.386) 5.341 22.708 ( 4.323 2.036 2.386) 5.341 22.777 ( -2.539 0.588 -2.827) 3.845 22.777 ( -2.539 0.588 2.827) 3.845 23.431 ( 1.222 -0.936 -0.856) 1.761 23.431 ( 1.222 -0.936 0.856) 1.761 23.454 ( -0.974 -1.338 -1.270) 2.086 23.454 ( -0.974 -1.338 1.270) 2.086 24.409 ( 2.720 0.503 -2.607) 3.801 24.409 ( 2.720 0.503 2.607) 3.801 24.456 ( -1.765 -0.619 -2.543) 3.156 24.456 ( -1.765 -0.619 2.543) 3.156 24.936 ( -0.888 0.643 -7.448) 7.528 24.936 ( -0.888 0.643 7.448) 7.528 24.979 ( -4.762 -0.301 -7.167) 8.610 24.979 ( -4.762 -0.301 7.167) 8.610 26.484 ( 5.480 1.432 -0.991) 5.750 26.484 ( 5.480 1.432 0.991) 5.750 26.583 ( -4.500 -0.565 -0.431) 4.556 26.583 ( -4.500 -0.565 0.431) 4.556 27.209 ( 4.803 -1.483 -4.051) 6.456 27.209 ( 4.803 -1.483 4.051) 6.456 27.276 ( -1.836 -2.685 -3.793) 4.997 27.276 ( -1.836 -2.685 3.793) 4.997 ======================= Grid point 133 (45/48) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.000 8.541 -28.675) 29.920 2.122 ( 0.000 8.541 28.675) 29.920 2.218 ( 0.000 7.491 -23.870) 25.018 2.218 ( 0.000 7.491 23.870) 25.018 2.398 ( 0.000 -2.669 -16.084) 16.304 2.398 ( 0.000 -2.669 16.084) 16.304 2.592 ( 0.000 -13.449 -13.647) 19.160 2.592 ( 0.000 -13.449 13.647) 19.160 2.948 ( 0.000 1.068 -3.833) 3.979 2.948 ( 0.000 1.068 3.833) 3.979 2.954 ( 0.000 0.651 -7.156) 7.186 2.954 ( 0.000 0.651 7.156) 7.186 3.125 ( 0.000 8.116 -10.587) 13.339 3.125 ( 0.000 8.116 10.587) 13.339 3.266 ( 0.000 -5.881 -4.314) 7.293 3.266 ( 0.000 -5.881 4.314) 7.293 3.894 ( 0.000 5.024 -7.978) 9.428 3.894 ( 0.000 5.024 7.978) 9.428 3.960 ( 0.000 -0.116 -7.350) 7.351 3.960 ( 0.000 -0.116 7.350) 7.351 4.155 ( 0.000 2.669 -9.008) 9.395 4.155 ( 0.000 2.669 9.008) 9.395 4.251 ( 0.000 -5.920 -13.108) 14.383 4.251 ( 0.000 -5.920 13.108) 14.383 4.388 ( 0.000 6.465 -5.803) 8.687 4.388 ( 0.000 6.465 5.803) 8.687 4.490 ( 0.000 -3.524 -8.250) 8.972 4.490 ( 0.000 -3.524 8.250) 8.972 4.896 ( 0.000 8.348 -9.825) 12.893 4.896 ( 0.000 8.348 9.825) 12.893 5.090 ( 0.000 -10.321 -7.030) 12.488 5.090 ( 0.000 -10.321 7.030) 12.488 5.538 ( 0.000 1.174 -5.777) 5.895 5.538 ( 0.000 1.174 5.777) 5.895 5.569 ( 0.000 -0.894 -3.288) 3.407 5.569 ( 0.000 -0.894 3.288) 3.407 5.695 ( 0.000 1.027 -5.370) 5.467 5.695 ( 0.000 1.027 5.370) 5.467 5.724 ( 0.000 -2.578 -0.566) 2.639 5.724 ( 0.000 -2.578 0.566) 2.639 5.973 ( 0.000 -0.679 -3.471) 3.537 5.973 ( 0.000 -0.679 3.471) 3.537 5.991 ( 0.000 -2.044 -2.523) 3.247 5.991 ( 0.000 -2.044 2.523) 3.247 6.391 ( 0.000 -0.465 -2.501) 2.544 6.391 ( 0.000 -0.465 2.501) 2.544 6.398 ( 0.000 -1.679 -3.584) 3.958 6.398 ( 0.000 -1.679 3.584) 3.958 6.929 ( 0.000 3.370 -8.944) 9.558 6.929 ( 0.000 3.370 8.944) 9.558 6.964 ( 0.000 1.230 -10.577) 10.648 6.964 ( 0.000 1.230 10.577) 10.648 7.052 ( 0.000 9.435 -2.335) 9.719 7.052 ( 0.000 9.435 2.335) 9.719 7.222 ( 0.000 -5.556 -4.742) 7.304 7.222 ( 0.000 -5.556 4.742) 7.304 7.778 ( 0.000 -0.155 -2.385) 2.390 7.778 ( 0.000 -0.155 2.385) 2.390 7.865 ( 0.000 -9.585 -6.481) 11.571 7.865 ( 0.000 -9.585 6.481) 11.571 8.320 ( 0.000 2.027 -8.185) 8.433 8.320 ( 0.000 2.027 8.185) 8.433 8.360 ( 0.000 -2.774 -5.955) 6.570 8.360 ( 0.000 -2.774 5.955) 6.570 8.783 ( 0.000 5.996 -5.388) 8.061 8.783 ( 0.000 5.996 5.388) 8.061 8.893 ( 0.000 -4.358 -6.118) 7.512 8.893 ( 0.000 -4.358 6.118) 7.512 9.333 ( 0.000 4.227 -4.249) 5.994 9.333 ( 0.000 4.227 4.249) 5.994 9.394 ( 0.000 -1.950 -5.234) 5.586 9.394 ( 0.000 -1.950 5.234) 5.586 9.756 ( 0.000 2.861 -8.190) 8.675 9.756 ( 0.000 2.861 8.190) 8.675 9.768 ( 0.000 1.395 -7.922) 8.044 9.768 ( 0.000 1.395 7.922) 8.044 10.251 ( 0.000 0.825 -5.759) 5.818 10.251 ( 0.000 0.825 5.759) 5.818 10.259 ( 0.000 0.731 -2.697) 2.794 10.259 ( 0.000 0.731 2.697) 2.794 10.711 ( 0.000 5.180 -4.964) 7.175 10.711 ( 0.000 5.180 4.964) 7.175 10.830 ( 0.000 -7.085 -2.965) 7.680 10.830 ( 0.000 -7.085 2.965) 7.680 11.129 ( 0.000 0.783 -6.244) 6.293 11.129 ( 0.000 0.783 6.244) 6.293 11.141 ( 0.000 -0.390 -7.156) 7.166 11.141 ( 0.000 -0.390 7.156) 7.166 11.809 ( 0.000 3.818 -3.951) 5.494 11.809 ( 0.000 3.818 3.951) 5.494 11.847 ( 0.000 0.142 -3.517) 3.520 11.847 ( 0.000 0.142 3.517) 3.520 12.021 ( 0.000 -2.202 -3.128) 3.825 12.021 ( 0.000 -2.202 3.128) 3.825 12.025 ( 0.000 -2.903 -1.809) 3.420 12.025 ( 0.000 -2.903 1.809) 3.420 12.572 ( 0.000 -1.253 -5.492) 5.633 12.572 ( 0.000 -1.253 5.492) 5.633 12.575 ( 0.000 -1.009 -4.979) 5.080 12.575 ( 0.000 -1.009 4.979) 5.080 12.873 ( 0.000 3.441 -0.587) 3.490 12.873 ( 0.000 3.441 0.587) 3.490 12.924 ( 0.000 -0.985 -2.117) 2.335 12.924 ( 0.000 -0.985 2.117) 2.335 13.196 ( 0.000 -0.491 -9.859) 9.871 13.196 ( 0.000 -0.491 9.859) 9.871 13.234 ( 0.000 -3.956 -7.121) 8.146 13.234 ( 0.000 -3.956 7.121) 8.146 13.731 ( 0.000 3.227 -3.594) 4.830 13.731 ( 0.000 3.227 3.594) 4.830 13.769 ( 0.000 -0.675 -0.291) 0.735 13.769 ( 0.000 -0.675 0.291) 0.735 13.888 ( 0.000 -0.199 -2.657) 2.664 13.888 ( 0.000 -0.199 2.657) 2.664 13.910 ( 0.000 -1.781 -2.662) 3.203 13.910 ( 0.000 -1.781 2.662) 3.203 14.281 ( 0.000 5.266 -3.591) 6.374 14.281 ( 0.000 5.266 3.591) 6.374 14.361 ( 0.000 -0.396 -7.628) 7.638 14.361 ( 0.000 -0.396 7.628) 7.638 14.600 ( 0.000 1.818 -3.863) 4.270 14.600 ( 0.000 1.818 3.863) 4.270 14.607 ( 0.000 -0.934 -2.965) 3.109 14.607 ( 0.000 -0.934 2.965) 3.109 14.881 ( 0.000 0.069 -4.333) 4.333 14.881 ( 0.000 0.069 4.333) 4.333 14.918 ( 0.000 -3.962 -1.485) 4.231 14.918 ( 0.000 -3.962 1.485) 4.231 16.568 ( 0.000 3.544 -4.346) 5.608 16.568 ( 0.000 3.544 4.346) 5.608 16.637 ( 0.000 -3.516 -2.260) 4.180 16.637 ( 0.000 -3.516 2.260) 4.180 16.949 ( 0.000 -0.114 -1.624) 1.628 16.949 ( 0.000 -0.114 1.624) 1.628 16.955 ( 0.000 -0.908 -3.224) 3.350 16.955 ( 0.000 -0.908 3.224) 3.350 17.890 ( 0.000 8.512 -3.647) 9.260 17.890 ( 0.000 8.512 3.647) 9.260 18.018 ( 0.000 -4.812 -2.989) 5.664 18.018 ( 0.000 -4.812 2.989) 5.664 18.986 ( 0.000 0.579 -3.096) 3.150 18.986 ( 0.000 0.579 3.096) 3.150 19.002 ( 0.000 -1.025 -1.674) 1.963 19.002 ( 0.000 -1.025 1.674) 1.963 22.595 ( 0.000 5.750 -0.408) 5.764 22.595 ( 0.000 5.750 0.408) 5.764 22.710 ( 0.000 -5.838 -0.907) 5.908 22.710 ( 0.000 -5.838 0.907) 5.908 23.423 ( 0.000 1.379 -2.153) 2.557 23.423 ( 0.000 1.379 2.153) 2.557 23.447 ( 0.000 -1.074 -2.097) 2.356 23.447 ( 0.000 -1.074 2.097) 2.356 24.370 ( 0.000 2.853 -0.999) 3.022 24.370 ( 0.000 2.853 0.999) 3.022 24.428 ( 0.000 -2.961 -1.852) 3.492 24.428 ( 0.000 -2.961 1.852) 3.492 25.196 ( 0.000 1.378 -1.832) 2.293 25.196 ( 0.000 1.378 1.832) 2.293 25.243 ( 0.000 -3.558 -1.711) 3.948 25.243 ( 0.000 -3.558 1.711) 3.948 26.377 ( 0.000 7.039 -5.552) 8.965 26.377 ( 0.000 7.039 5.552) 8.965 26.540 ( 0.000 -9.743 -5.297) 11.090 26.540 ( 0.000 -9.743 5.297) 11.090 27.007 ( 0.000 5.129 -0.672) 5.173 27.007 ( 0.000 5.129 0.672) 5.173 27.108 ( 0.000 -5.102 -0.799) 5.165 27.108 ( 0.000 -5.102 0.799) 5.165 ======================= Grid point 135 (46/48) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.401 10.329 -26.935) 28.851 2.120 ( -0.401 10.329 26.935) 28.851 2.266 ( 4.034 2.333 -21.001) 21.512 2.266 ( 4.034 2.333 21.001) 21.512 2.402 ( 0.680 0.857 -15.865) 15.903 2.402 ( 0.680 0.857 15.865) 15.903 2.612 ( 1.738 -12.586 -12.672) 17.945 2.612 ( 1.738 -12.586 12.672) 17.945 2.888 ( -4.435 4.106 -3.720) 7.097 2.888 ( -4.435 4.106 3.720) 7.097 2.956 ( -0.847 -2.738 -5.282) 6.009 2.956 ( -0.847 -2.738 5.282) 6.009 3.170 ( 3.408 3.581 -6.655) 8.291 3.170 ( 3.408 3.581 6.655) 8.291 3.246 ( -0.759 -3.834 -1.954) 4.370 3.246 ( -0.759 -3.834 1.954) 4.370 3.831 ( -5.189 5.705 -4.680) 9.021 3.831 ( -5.189 5.705 4.680) 9.021 3.931 ( -3.467 -3.910 -3.355) 6.210 3.931 ( -3.467 -3.910 3.355) 6.210 4.234 ( 8.232 4.958 -9.945) 13.829 4.234 ( 8.232 4.958 9.945) 13.829 4.328 ( 5.948 -3.376 -7.825) 10.393 4.328 ( 5.948 -3.376 7.825) 10.393 4.451 ( 5.866 3.746 -5.431) 8.829 4.451 ( 5.866 3.746 5.431) 8.829 4.516 ( 4.013 -2.087 -5.396) 7.042 4.516 ( 4.013 -2.087 5.396) 7.042 4.882 ( -0.590 6.737 -7.949) 10.437 4.882 ( -0.590 6.737 7.949) 10.437 5.052 ( -3.503 -9.212 -5.254) 11.169 5.052 ( -3.503 -9.212 5.254) 11.169 5.371 ( -10.846 3.107 -2.921) 11.654 5.371 ( -10.846 3.107 2.921) 11.654 5.465 ( -7.385 -5.127 -3.486) 9.643 5.465 ( -7.385 -5.127 3.486) 9.643 5.728 ( 0.539 1.017 -0.766) 1.382 5.728 ( 0.539 1.017 0.766) 1.382 5.757 ( 1.553 -1.588 -1.763) 2.836 5.757 ( 1.553 -1.588 1.763) 2.836 6.037 ( 6.760 4.530 -2.770) 8.596 6.037 ( 6.760 4.530 2.770) 8.596 6.130 ( 6.537 -4.966 -3.737) 9.020 6.130 ( 6.537 -4.966 3.737) 9.020 6.423 ( 2.440 2.319 -1.483) 3.678 6.423 ( 2.440 2.319 1.483) 3.678 6.460 ( 5.399 -1.547 -1.168) 5.736 6.460 ( 5.399 -1.547 1.168) 5.736 6.849 ( -6.382 2.745 -6.140) 9.272 6.849 ( -6.382 2.745 6.140) 9.272 6.893 ( -6.498 -1.275 -6.552) 9.315 6.893 ( -6.498 -1.275 6.552) 9.315 7.119 ( 7.342 8.999 -3.032) 12.004 7.119 ( 7.342 8.999 3.032) 12.004 7.276 ( 5.791 -5.142 -3.557) 8.522 7.276 ( 5.791 -5.142 3.557) 8.522 7.814 ( 2.946 -0.409 -1.351) 3.267 7.814 ( 2.946 -0.409 1.351) 3.267 7.890 ( 2.052 -8.732 -5.047) 10.292 7.890 ( 2.052 -8.732 5.047) 10.292 8.342 ( 2.105 2.668 -7.116) 7.886 8.342 ( 2.105 2.668 7.116) 7.886 8.393 ( 2.986 -2.838 -5.185) 6.622 8.393 ( 2.986 -2.838 5.185) 6.622 8.795 ( 0.992 5.654 -4.453) 7.265 8.795 ( 0.992 5.654 4.453) 7.265 8.896 ( 0.522 -3.822 -5.261) 6.524 8.896 ( 0.522 -3.822 5.261) 6.524 9.311 ( -2.282 5.347 -4.909) 7.609 9.311 ( -2.282 5.347 4.909) 7.609 9.389 ( -0.919 -2.536 -4.809) 5.514 9.389 ( -0.919 -2.536 4.809) 5.514 9.661 ( -8.151 3.517 -6.021) 10.726 9.661 ( -8.151 3.517 6.021) 10.726 9.708 ( -6.230 -0.605 -6.867) 9.292 9.708 ( -6.230 -0.605 6.867) 9.292 10.247 ( 0.681 2.650 -3.134) 4.161 10.247 ( 0.681 2.650 3.134) 4.161 10.306 ( 2.833 -2.830 -2.000) 4.476 10.306 ( 2.833 -2.830 2.000) 4.476 10.666 ( -3.014 5.557 -4.836) 7.959 10.666 ( -3.014 5.557 4.836) 7.959 10.791 ( -3.196 -6.928 -5.017) 9.132 10.791 ( -3.196 -6.928 5.017) 9.132 11.153 ( 1.938 2.335 -8.377) 8.909 11.153 ( 1.938 2.335 8.377) 8.909 11.197 ( 3.759 -2.351 -7.397) 8.623 11.197 ( 3.759 -2.351 7.397) 8.623 11.768 ( -2.790 2.951 -2.767) 4.915 11.768 ( -2.790 2.951 2.767) 4.915 11.818 ( -2.982 -1.609 -2.428) 4.168 11.818 ( -2.982 -1.609 2.428) 4.168 12.011 ( 0.460 1.462 -1.053) 1.860 12.011 ( 0.460 1.462 1.053) 1.860 12.062 ( 1.367 -3.040 -1.308) 3.580 12.062 ( 1.367 -3.040 1.308) 3.580 12.552 ( -0.802 1.549 -4.646) 4.962 12.552 ( -0.802 1.549 4.646) 4.962 12.604 ( 1.686 -3.302 -4.614) 5.919 12.604 ( 1.686 -3.302 4.614) 5.919 12.879 ( 1.171 3.315 -1.195) 3.713 12.879 ( 1.171 3.315 1.195) 3.713 12.945 ( 1.574 -2.926 -1.280) 3.561 12.945 ( 1.574 -2.926 1.280) 3.561 13.176 ( -0.089 4.017 -7.053) 8.117 13.176 ( -0.089 4.017 7.053) 8.117 13.278 ( 2.492 -5.967 -6.032) 8.844 13.278 ( 2.492 -5.967 6.032) 8.844 13.725 ( -0.167 3.095 -2.494) 3.978 13.725 ( -0.167 3.095 2.494) 3.978 13.772 ( 0.222 -1.293 -0.175) 1.323 13.772 ( 0.222 -1.293 0.175) 1.323 13.909 ( 1.768 0.427 -1.830) 2.580 13.909 ( 1.768 0.427 1.830) 2.580 13.937 ( 2.285 -1.963 -2.205) 3.733 13.937 ( 2.285 -1.963 2.205) 3.733 14.275 ( -0.394 5.056 -3.725) 6.293 14.275 ( -0.394 5.056 3.725) 6.293 14.344 ( -1.474 0.033 -6.266) 6.437 14.344 ( -1.474 0.033 6.266) 6.437 14.585 ( -1.211 1.525 -1.361) 2.376 14.585 ( -1.211 1.525 1.361) 2.376 14.606 ( -0.612 -1.537 -3.936) 4.269 14.606 ( -0.612 -1.537 3.936) 4.269 14.844 ( -3.009 1.253 -2.552) 4.140 14.844 ( -3.009 1.253 2.552) 4.140 14.906 ( -1.506 -4.640 -0.470) 4.901 14.906 ( -1.506 -4.640 0.470) 4.901 16.584 ( 1.609 3.147 -4.576) 5.782 16.584 ( 1.609 3.147 4.576) 5.782 16.647 ( 0.924 -3.194 -2.379) 4.088 16.647 ( 0.924 -3.194 2.379) 4.088 16.924 ( -2.073 0.586 -0.754) 2.282 16.924 ( -2.073 0.586 0.754) 2.282 16.942 ( -1.506 -1.279 -2.137) 2.911 16.942 ( -1.506 -1.279 2.137) 2.911 17.912 ( 2.122 7.608 -3.164) 8.508 17.912 ( 2.122 7.608 3.164) 8.508 18.027 ( 0.805 -4.300 -2.581) 5.080 18.027 ( 0.805 -4.300 2.581) 5.080 18.977 ( -0.878 0.534 -2.691) 2.881 18.977 ( -0.878 0.534 2.691) 2.881 18.992 ( -0.939 -1.024 -1.409) 1.979 18.992 ( -0.939 -1.024 1.409) 1.979 22.623 ( 2.699 5.416 -0.448) 6.068 22.623 ( 2.699 5.416 0.448) 6.068 22.728 ( 1.713 -5.168 -1.027) 5.541 22.728 ( 1.713 -5.168 1.027) 5.541 23.420 ( -0.315 1.254 -1.760) 2.184 23.420 ( -0.315 1.254 1.760) 2.184 23.445 ( -0.249 -1.289 -1.896) 2.306 23.445 ( -0.249 -1.289 1.896) 2.306 24.375 ( 0.534 2.666 -1.226) 2.983 24.375 ( 0.534 2.666 1.226) 2.983 24.430 ( 0.185 -2.828 -1.691) 3.300 24.430 ( 0.185 -2.828 1.691) 3.300 25.146 ( -4.711 1.390 -1.247) 5.068 25.146 ( -4.711 1.390 1.247) 5.068 25.188 ( -5.113 -2.835 -2.402) 6.321 25.188 ( -5.113 -2.835 2.402) 6.321 26.397 ( 2.063 6.792 -1.952) 7.362 26.397 ( 2.063 6.792 1.952) 7.362 26.551 ( 0.905 -9.016 -1.779) 9.234 26.551 ( 0.905 -9.016 1.779) 9.234 27.043 ( 3.418 4.836 -0.636) 5.956 27.043 ( 3.418 4.836 0.636) 5.956 27.142 ( 2.940 -5.236 -0.784) 6.055 27.142 ( 2.940 -5.236 0.784) 6.055 ======================= Grid point 137 (47/48) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.876 11.030 -21.620) 24.287 2.104 ( -0.876 11.030 21.620) 24.287 2.293 ( -2.775 -7.680 -11.637) 14.217 2.293 ( -2.775 -7.680 11.637) 14.217 2.473 ( 6.948 7.912 -13.026) 16.750 2.473 ( 6.948 7.912 13.026) 16.750 2.651 ( 2.116 -8.971 -8.822) 12.759 2.651 ( 2.116 -8.971 8.822) 12.759 2.803 ( -3.495 3.927 -0.660) 5.298 2.803 ( -3.495 3.927 0.660) 5.298 2.912 ( -3.233 -6.316 -3.509) 7.916 2.912 ( -3.233 -6.316 3.509) 7.916 3.224 ( 1.757 2.040 -2.355) 3.577 3.224 ( 1.757 2.040 2.355) 3.577 3.255 ( 0.129 -1.070 -4.212) 4.348 3.255 ( 0.129 -1.070 4.212) 4.348 3.776 ( 1.733 4.471 -2.669) 5.488 3.776 ( 1.733 4.471 2.669) 5.488 3.882 ( 0.068 -5.875 -1.609) 6.092 3.882 ( 0.068 -5.875 1.609) 6.092 4.392 ( 5.982 1.220 -4.069) 7.337 4.392 ( 5.982 1.220 4.069) 7.337 4.416 ( 2.488 -1.366 -5.061) 5.803 4.416 ( 2.488 -1.366 5.061) 5.803 4.557 ( 3.375 2.975 -8.937) 10.005 4.557 ( 3.375 2.975 8.937) 10.005 4.648 ( 4.400 -4.393 -5.861) 8.545 4.648 ( 4.400 -4.393 5.861) 8.545 4.897 ( 1.951 4.468 -1.258) 5.035 4.897 ( 1.951 4.468 1.258) 5.035 5.002 ( -0.656 -5.638 -1.440) 5.856 5.002 ( -0.656 -5.638 1.440) 5.856 5.199 ( -3.021 9.700 -8.148) 13.023 5.199 ( -3.021 9.700 8.148) 13.023 5.387 ( 1.185 -8.587 -6.391) 10.770 5.387 ( 1.185 -8.587 6.391) 10.770 5.704 ( -3.435 3.880 -0.858) 5.252 5.704 ( -3.435 3.880 0.858) 5.252 5.773 ( -0.815 -2.980 -0.532) 3.135 5.773 ( -0.815 -2.980 0.532) 3.135 6.128 ( 3.013 2.839 -2.448) 4.810 6.128 ( 3.013 2.839 2.448) 4.810 6.180 ( -0.209 -2.114 -1.036) 2.363 6.180 ( -0.209 -2.114 1.036) 2.363 6.452 ( -0.295 6.546 -1.916) 6.827 6.452 ( -0.295 6.546 1.916) 6.827 6.526 ( -0.482 -1.050 -2.309) 2.582 6.526 ( -0.482 -1.050 2.309) 2.582 6.734 ( -4.809 0.986 -1.993) 5.298 6.734 ( -4.809 0.986 1.993) 5.298 6.769 ( -5.248 -2.323 -0.966) 5.820 6.769 ( -5.248 -2.323 0.966) 5.820 7.333 ( 13.626 6.238 -4.692) 15.703 7.333 ( 13.626 6.238 4.692) 15.703 7.451 ( 11.150 -4.093 -5.325) 13.017 7.451 ( 11.150 -4.093 5.325) 13.017 7.866 ( 1.926 -0.641 -1.761) 2.687 7.866 ( 1.926 -0.641 1.761) 2.687 7.925 ( 1.018 -6.888 -2.202) 7.303 7.925 ( 1.018 -6.888 2.202) 7.303 8.399 ( 3.668 4.063 -3.784) 6.655 8.399 ( 3.668 4.063 3.784) 6.655 8.461 ( 3.680 -2.104 -3.577) 5.547 8.461 ( 3.680 -2.104 3.577) 5.547 8.809 ( 0.261 5.310 -2.522) 5.884 8.809 ( 0.261 5.310 2.522) 5.884 8.913 ( 0.668 -4.074 -4.576) 6.163 8.913 ( 0.668 -4.074 4.576) 6.163 9.245 ( -4.094 7.621 -5.898) 10.470 9.245 ( -4.094 7.621 5.898) 10.470 9.348 ( -2.927 -2.512 -2.913) 4.834 9.348 ( -2.927 -2.512 2.913) 4.834 9.480 ( -9.374 0.946 -4.703) 10.530 9.480 ( -9.374 0.946 4.703) 10.530 9.554 ( -8.458 -4.497 -7.166) 11.963 9.554 ( -8.458 -4.497 7.166) 11.963 10.269 ( 1.276 3.123 -2.476) 4.185 10.269 ( 1.276 3.123 2.476) 4.185 10.341 ( 0.290 -3.976 -2.432) 4.670 10.341 ( 0.290 -3.976 2.432) 4.670 10.647 ( 1.561 4.210 -3.929) 5.966 10.647 ( 1.561 4.210 3.929) 5.966 10.744 ( -0.830 -5.579 -4.560) 7.253 10.744 ( -0.830 -5.579 4.560) 7.253 11.168 ( -0.650 2.590 -6.420) 6.953 11.168 ( -0.650 2.590 6.420) 6.953 11.240 ( -0.083 -4.404 -5.403) 6.971 11.240 ( -0.083 -4.404 5.403) 6.971 11.726 ( -1.272 2.496 -3.675) 4.621 11.726 ( -1.272 2.496 3.675) 4.621 11.762 ( -1.984 -1.339 -3.690) 4.399 11.762 ( -1.984 -1.339 3.690) 4.399 12.018 ( 0.051 2.618 -1.237) 2.896 12.018 ( 0.051 2.618 1.237) 2.896 12.065 ( -1.043 -1.916 -1.613) 2.713 12.065 ( -1.043 -1.916 1.613) 2.713 12.552 ( 1.110 4.043 -3.470) 5.442 12.552 ( 1.110 4.043 3.470) 5.442 12.633 ( 1.055 -3.049 -3.737) 4.937 12.633 ( 1.055 -3.049 3.737) 4.937 12.918 ( 2.089 0.980 -2.171) 3.168 12.918 ( 2.089 0.980 2.171) 3.168 12.969 ( 0.719 -3.306 -2.041) 3.951 12.969 ( 0.719 -3.306 2.041) 3.951 13.210 ( 3.378 5.426 -4.487) 7.810 13.210 ( 3.378 5.426 4.487) 7.810 13.313 ( 1.182 -4.890 -5.034) 7.117 13.313 ( 1.182 -4.890 5.034) 7.117 13.735 ( 1.315 2.290 -0.731) 2.739 13.735 ( 1.315 2.290 0.731) 2.739 13.780 ( 0.754 -1.883 -0.890) 2.215 13.780 ( 0.754 -1.883 0.890) 2.215 13.937 ( 0.662 1.537 -0.966) 1.933 13.937 ( 0.662 1.537 0.966) 1.933 13.971 ( 0.567 -1.770 -0.771) 2.012 13.971 ( 0.567 -1.770 0.771) 2.012 14.277 ( 0.786 3.992 -3.756) 5.537 14.277 ( 0.786 3.992 3.756) 5.537 14.321 ( -0.499 0.269 -3.661) 3.704 14.321 ( -0.499 0.269 3.661) 3.704 14.554 ( -1.940 1.554 -0.342) 2.509 14.554 ( -1.940 1.554 0.342) 2.509 14.574 ( -2.594 -1.607 -4.017) 5.044 14.574 ( -2.594 -1.607 4.017) 5.044 14.790 ( -1.975 1.349 -1.284) 2.714 14.790 ( -1.975 1.349 1.284) 2.714 14.862 ( -2.816 -4.961 -1.159) 5.821 14.862 ( -2.816 -4.961 1.159) 5.821 16.625 ( 2.396 2.197 -4.772) 5.774 16.625 ( 2.396 2.197 4.772) 5.774 16.670 ( 1.281 -2.318 -2.370) 3.554 16.670 ( 1.281 -2.318 2.370) 3.554 16.879 ( -2.289 1.043 -1.309) 2.836 16.879 ( -2.289 1.043 1.309) 2.836 16.901 ( -2.433 -1.204 -1.851) 3.285 16.901 ( -2.433 -1.204 1.851) 3.285 17.964 ( 3.001 5.307 -2.133) 6.459 17.964 ( 3.001 5.307 2.133) 6.459 18.043 ( 0.691 -2.784 -1.563) 3.267 18.043 ( 0.691 -2.784 1.563) 3.267 18.957 ( -0.970 0.347 -1.767) 2.046 18.957 ( -0.970 0.347 1.767) 2.046 18.970 ( -1.226 -0.922 -0.798) 1.729 18.970 ( -1.226 -0.922 0.798) 1.729 22.689 ( 3.665 4.272 -0.658) 5.667 22.689 ( 3.665 4.272 0.658) 5.667 22.765 ( 1.634 -3.238 -1.200) 3.820 22.765 ( 1.634 -3.238 1.200) 3.820 23.415 ( -0.134 0.716 -1.010) 1.246 23.415 ( -0.134 0.716 1.010) 1.246 23.438 ( -0.505 -1.538 -1.545) 2.237 23.438 ( -0.505 -1.538 1.545) 2.237 24.393 ( 1.297 2.071 -1.702) 2.978 24.393 ( 1.297 2.071 1.702) 2.978 24.436 ( 0.422 -2.289 -1.191) 2.615 24.436 ( 0.422 -2.289 1.191) 2.615 25.035 ( -5.772 1.620 -1.323) 6.139 25.035 ( -5.772 1.620 1.323) 6.139 25.070 ( -6.188 -1.883 -3.070) 7.160 25.070 ( -6.188 -1.883 3.070) 7.160 26.454 ( 3.520 5.235 -1.273) 6.435 26.454 ( 3.520 5.235 1.273) 6.435 26.566 ( 0.433 -5.960 -1.574) 6.180 26.566 ( 0.433 -5.960 1.574) 6.180 27.122 ( 4.182 2.943 -0.926) 5.197 27.122 ( 4.182 2.943 0.926) 5.197 27.198 ( 2.237 -4.550 -1.271) 5.227 27.198 ( 2.237 -4.550 1.271) 5.227 ======================= Grid point 139 (48/48) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.33e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 2.205 5.888 -10.474) 12.216 2.111 ( 2.205 5.888 10.474) 12.216 2.195 ( -5.779 -2.430 -1.997) 6.580 2.195 ( -5.779 -2.430 1.997) 6.580 2.609 ( 5.528 3.087 -5.453) 8.356 2.609 ( 5.528 3.087 5.453) 8.356 2.671 ( -0.924 -2.423 -2.037) 3.297 2.671 ( -0.924 -2.423 2.037) 3.297 2.785 ( 2.107 -0.080 -0.727) 2.231 2.785 ( 2.107 -0.080 0.727) 2.231 2.848 ( -3.302 -5.007 -2.979) 6.697 2.848 ( -3.302 -5.007 2.979) 6.697 3.225 ( -0.583 1.863 -0.847) 2.128 3.225 ( -0.583 1.863 0.847) 2.128 3.238 ( -1.347 0.570 -2.910) 3.257 3.238 ( -1.347 0.570 2.910) 3.257 3.889 ( 7.113 -0.151 -3.926) 8.125 3.889 ( 7.113 -0.151 3.926) 8.125 3.937 ( 3.040 -4.880 -2.029) 6.098 3.937 ( 3.040 -4.880 2.029) 6.098 4.420 ( 0.505 2.022 -5.747) 6.113 4.420 ( 0.505 2.022 5.747) 6.113 4.479 ( 0.213 -2.887 -3.200) 4.316 4.479 ( 0.213 -2.887 3.200) 4.316 4.533 ( -2.788 -0.930 -3.502) 4.572 4.533 ( -2.788 -0.930 3.502) 4.572 4.591 ( -5.739 -5.651 -3.451) 8.762 4.591 ( -5.739 -5.651 3.451) 8.762 4.959 ( 3.211 2.262 -2.375) 4.590 4.959 ( 3.211 2.262 2.375) 4.590 4.991 ( -0.090 -0.450 -0.736) 0.867 4.991 ( -0.090 -0.450 0.736) 0.867 5.317 ( 9.568 8.415 -8.966) 15.581 5.317 ( 9.568 8.415 8.966) 15.581 5.448 ( -1.339 -4.241 -3.590) 5.715 5.448 ( -1.339 -4.241 3.590) 5.715 5.649 ( 2.459 5.103 -2.131) 6.053 5.649 ( 2.459 5.103 2.131) 6.053 5.732 ( -2.819 -2.791 -1.616) 4.283 5.732 ( -2.819 -2.791 1.616) 4.283 6.157 ( -0.330 1.087 -1.832) 2.155 6.157 ( -0.330 1.087 1.832) 2.155 6.171 ( -0.965 -0.180 -2.086) 2.306 6.171 ( -0.965 -0.180 2.086) 2.306 6.438 ( 0.705 5.413 -3.186) 6.320 6.438 ( 0.705 5.413 3.186) 6.320 6.479 ( -2.440 2.039 -2.211) 3.873 6.479 ( -2.440 2.039 2.211) 3.873 6.655 ( -2.426 -1.068 -0.349) 2.674 6.655 ( -2.426 -1.068 0.349) 2.674 6.682 ( -3.967 -2.819 -2.010) 5.266 6.682 ( -3.967 -2.819 2.010) 5.266 7.586 ( 10.020 3.530 -5.592) 12.005 7.586 ( 10.020 3.530 5.592) 12.005 7.639 ( 5.431 -1.206 -2.885) 6.267 7.639 ( 5.431 -1.206 2.885) 6.267 7.886 ( 0.458 -0.771 -4.186) 4.281 7.886 ( 0.458 -0.771 4.186) 4.281 7.914 ( -2.036 -3.285 -2.161) 4.429 7.914 ( -2.036 -3.285 2.161) 4.429 8.483 ( 4.358 4.694 -3.113) 7.122 8.483 ( 4.358 4.694 3.113) 7.122 8.521 ( 1.347 1.331 -2.727) 3.320 8.521 ( 1.347 1.331 2.727) 3.320 8.813 ( 1.173 2.162 -0.599) 2.532 8.813 ( 1.173 2.162 0.599) 2.532 8.882 ( -4.243 -3.040 -5.086) 7.288 8.882 ( -4.243 -3.040 5.086) 7.288 9.203 ( 1.270 6.061 -3.759) 7.244 9.203 ( 1.270 6.061 3.759) 7.244 9.285 ( -5.160 1.961 -3.592) 6.586 9.285 ( -5.160 1.961 3.592) 6.586 9.345 ( -1.251 -5.905 -2.865) 6.681 9.345 ( -1.251 -5.905 2.865) 6.681 9.407 ( -6.012 -7.465 -5.054) 10.836 9.407 ( -6.012 -7.465 5.054) 10.836 10.293 ( 1.347 1.502 -2.044) 2.872 10.293 ( 1.347 1.502 2.044) 2.872 10.323 ( -1.584 -1.497 -2.366) 3.217 10.323 ( -1.584 -1.497 2.366) 3.217 10.708 ( 3.578 1.772 -2.498) 4.709 10.708 ( 3.578 1.772 2.498) 4.709 10.748 ( -0.086 -2.017 -2.184) 2.974 10.748 ( -0.086 -2.017 2.184) 2.974 11.153 ( 0.295 -0.612 -2.297) 2.396 11.153 ( 0.295 -0.612 2.297) 2.396 11.197 ( -3.398 -4.696 -2.181) 6.194 11.197 ( -3.398 -4.696 2.181) 6.194 11.722 ( 0.666 2.297 -1.797) 2.992 11.722 ( 0.666 2.297 1.797) 2.992 11.739 ( -0.840 0.517 -1.876) 2.119 11.739 ( -0.840 0.517 1.876) 2.119 12.017 ( 0.145 1.209 -0.407) 1.284 12.017 ( 0.145 1.209 0.407) 1.284 12.034 ( -1.595 -0.588 -1.071) 2.009 12.034 ( -1.595 -0.588 1.071) 2.009 12.593 ( 2.611 4.289 -1.232) 5.170 12.593 ( 2.611 4.289 1.232) 5.170 12.634 ( -1.145 0.919 -1.576) 2.154 12.634 ( -1.145 0.919 1.576) 2.154 12.947 ( 1.242 -1.748 -1.334) 2.525 12.947 ( 1.242 -1.748 1.334) 2.525 12.970 ( -0.765 -3.304 -1.432) 3.681 12.970 ( -0.765 -3.304 1.432) 3.681 13.284 ( 3.352 2.518 -0.359) 4.208 13.284 ( 3.352 2.518 0.359) 4.208 13.322 ( -0.534 -1.327 -2.873) 3.210 13.322 ( -0.534 -1.327 2.873) 3.210 13.774 ( 2.213 0.986 -2.219) 3.285 13.774 ( 2.213 0.986 2.219) 3.285 13.796 ( 0.288 -1.104 -0.290) 1.177 13.796 ( 0.288 -1.104 0.290) 1.177 13.938 ( 0.024 1.455 -0.797) 1.659 13.938 ( 0.024 1.455 0.797) 1.659 13.956 ( -1.542 -0.357 -2.228) 2.733 13.956 ( -1.542 -0.357 2.228) 2.733 14.302 ( 1.452 1.799 -2.527) 3.425 14.302 ( 1.452 1.799 2.527) 3.425 14.320 ( -0.144 0.012 -0.496) 0.517 14.320 ( -0.144 0.012 0.496) 0.517 14.519 ( -1.202 1.747 -1.734) 2.739 14.519 ( -1.202 1.747 1.734) 2.739 14.524 ( -1.784 0.905 -1.956) 2.798 14.524 ( -1.784 0.905 1.956) 2.798 14.776 ( 0.517 -1.482 -1.257) 2.011 14.776 ( 0.517 -1.482 1.257) 2.011 14.807 ( -2.456 -3.999 -1.406) 4.899 14.807 ( -2.456 -3.999 1.406) 4.899 16.670 ( 1.858 0.932 -3.707) 4.250 16.670 ( 1.858 0.932 3.707) 4.250 16.687 ( 0.179 -0.851 -1.635) 1.852 16.687 ( 0.179 -0.851 1.635) 1.852 16.846 ( -0.711 0.517 -0.773) 1.171 16.846 ( -0.711 0.517 0.773) 1.171 16.858 ( -1.715 -0.609 -1.100) 2.126 16.858 ( -1.715 -0.609 1.100) 2.126 18.018 ( 2.236 2.421 -0.960) 3.433 18.018 ( 2.236 2.421 0.960) 3.433 18.046 ( -0.570 -0.427 -0.299) 0.772 18.046 ( -0.570 -0.427 0.299) 0.772 18.944 ( -0.238 -0.062 -0.788) 0.826 18.944 ( -0.238 -0.062 0.788) 0.826 18.949 ( -0.731 -0.575 -0.075) 0.933 18.949 ( -0.731 -0.575 0.075) 0.933 22.753 ( 2.519 2.215 -0.992) 3.498 22.753 ( 2.519 2.215 0.992) 3.498 22.780 ( -0.220 -0.507 -1.212) 1.332 22.780 ( -0.220 -0.507 1.212) 1.332 23.416 ( 0.333 -0.274 -0.413) 0.597 23.416 ( 0.333 -0.274 0.413) 0.597 23.426 ( -0.602 -1.219 -0.963) 1.666 23.426 ( -0.602 -1.219 0.963) 1.666 24.422 ( 1.475 0.875 -1.475) 2.262 24.422 ( 1.475 0.875 1.475) 2.262 24.440 ( -0.239 -0.953 -0.525) 1.113 24.440 ( -0.239 -0.953 0.525) 1.113 24.952 ( -1.980 0.949 -2.345) 3.212 24.952 ( -1.980 0.949 2.345) 3.212 24.969 ( -3.511 -0.733 -2.909) 4.618 24.969 ( -3.511 -0.733 2.909) 4.618 26.521 ( 2.939 2.256 -1.019) 3.842 26.521 ( 2.939 2.256 1.019) 3.842 26.561 ( -1.095 -1.713 -0.736) 2.162 26.561 ( -1.095 -1.713 0.736) 2.162 27.191 ( 2.607 0.085 -1.345) 2.935 27.191 ( 2.607 0.085 1.345) 2.935 27.219 ( -0.178 -2.637 -1.540) 3.059 27.219 ( -0.178 -2.637 1.540) 3.059 =================== 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 3/35280 10.0 2258.012 2110.434 2694.742 0.000 0.000 0.000 3/35280 20.0 477.292 468.610 433.502 0.000 0.000 0.000 3/35280 30.0 161.653 151.197 142.753 0.000 0.000 0.000 3/35280 40.0 76.506 71.071 68.750 0.000 0.000 0.000 3/35280 50.0 44.905 41.534 40.951 0.000 0.000 0.000 3/35280 60.0 30.121 27.725 27.700 0.000 0.000 0.000 3/35280 70.0 22.015 20.169 20.327 0.000 0.000 0.000 3/35280 80.0 17.052 15.561 15.767 0.000 0.000 0.000 3/35280 90.0 13.763 12.521 12.727 0.000 0.000 0.000 3/35280 100.0 11.455 10.398 10.586 0.000 0.000 0.000 3/35280 110.0 9.762 8.846 9.013 0.000 0.000 0.000 3/35280 120.0 8.477 7.673 7.819 0.000 0.000 0.000 3/35280 130.0 7.475 6.760 6.887 0.000 0.000 0.000 3/35280 140.0 6.675 6.033 6.143 0.000 0.000 0.000 3/35280 150.0 6.024 5.443 5.539 0.000 0.000 0.000 3/35280 160.0 5.487 4.955 5.039 0.000 0.000 0.000 3/35280 170.0 5.036 4.547 4.621 0.000 0.000 0.000 3/35280 180.0 4.653 4.200 4.266 0.000 0.000 0.000 3/35280 190.0 4.324 3.903 3.962 0.000 0.000 0.000 3/35280 200.0 4.039 3.645 3.698 0.000 0.000 0.000 3/35280 210.0 3.790 3.420 3.467 0.000 0.000 0.000 3/35280 220.0 3.571 3.222 3.265 0.000 0.000 0.000 3/35280 230.0 3.376 3.046 3.085 0.000 0.000 0.000 3/35280 240.0 3.202 2.889 2.924 0.000 0.000 0.000 3/35280 250.0 3.046 2.748 2.780 0.000 0.000 0.000 3/35280 260.0 2.905 2.620 2.650 0.000 0.000 0.000 3/35280 270.0 2.777 2.504 2.531 0.000 0.000 0.000 3/35280 280.0 2.660 2.399 2.424 0.000 0.000 0.000 3/35280 290.0 2.553 2.302 2.325 0.000 0.000 0.000 3/35280 300.0 2.455 2.214 2.235 0.000 0.000 0.000 3/35280 310.0 2.364 2.132 2.151 0.000 0.000 0.000 3/35280 320.0 2.280 2.056 2.074 0.000 0.000 0.000 3/35280 330.0 2.202 1.986 2.002 0.000 0.000 0.000 3/35280 340.0 2.130 1.920 1.936 0.000 0.000 0.000 3/35280 350.0 2.062 1.859 1.874 0.000 0.000 0.000 3/35280 360.0 1.999 1.802 1.816 0.000 0.000 0.000 3/35280 370.0 1.940 1.748 1.761 0.000 0.000 0.000 3/35280 380.0 1.884 1.698 1.710 0.000 0.000 0.000 3/35280 390.0 1.832 1.650 1.662 0.000 0.000 0.000 3/35280 400.0 1.782 1.606 1.616 0.000 0.000 0.000 3/35280 410.0 1.735 1.563 1.573 0.000 0.000 0.000 3/35280 420.0 1.691 1.523 1.533 0.000 0.000 0.000 3/35280 430.0 1.649 1.485 1.494 0.000 0.000 0.000 3/35280 440.0 1.609 1.449 1.458 0.000 0.000 0.000 3/35280 450.0 1.571 1.415 1.423 0.000 0.000 0.000 3/35280 460.0 1.535 1.383 1.390 0.000 0.000 0.000 3/35280 470.0 1.501 1.351 1.359 0.000 0.000 0.000 3/35280 480.0 1.468 1.322 1.328 0.000 0.000 0.000 3/35280 490.0 1.436 1.293 1.300 0.000 0.000 0.000 3/35280 500.0 1.406 1.266 1.272 0.000 0.000 0.000 3/35280 510.0 1.377 1.240 1.246 0.000 0.000 0.000 3/35280 520.0 1.350 1.215 1.221 0.000 0.000 0.000 3/35280 530.0 1.323 1.191 1.197 0.000 0.000 0.000 3/35280 540.0 1.298 1.168 1.173 0.000 0.000 0.000 3/35280 550.0 1.273 1.146 1.151 0.000 0.000 0.000 3/35280 560.0 1.250 1.125 1.130 0.000 0.000 0.000 3/35280 570.0 1.227 1.105 1.109 0.000 0.000 0.000 3/35280 580.0 1.205 1.085 1.089 0.000 0.000 0.000 3/35280 590.0 1.184 1.066 1.070 0.000 0.000 0.000 3/35280 600.0 1.164 1.048 1.051 0.000 0.000 0.000 3/35280 610.0 1.144 1.030 1.034 0.000 0.000 0.000 3/35280 620.0 1.125 1.013 1.016 0.000 0.000 0.000 3/35280 630.0 1.107 0.996 1.000 0.000 0.000 0.000 3/35280 640.0 1.089 0.980 0.984 0.000 0.000 0.000 3/35280 650.0 1.072 0.965 0.968 0.000 0.000 0.000 3/35280 660.0 1.056 0.950 0.953 0.000 0.000 0.000 3/35280 670.0 1.040 0.935 0.938 0.000 0.000 0.000 3/35280 680.0 1.024 0.921 0.924 0.000 0.000 0.000 3/35280 690.0 1.009 0.908 0.910 0.000 0.000 0.000 3/35280 700.0 0.994 0.894 0.897 0.000 0.000 0.000 3/35280 710.0 0.980 0.882 0.884 0.000 0.000 0.000 3/35280 720.0 0.966 0.869 0.871 0.000 0.000 0.000 3/35280 730.0 0.953 0.857 0.859 0.000 0.000 0.000 3/35280 740.0 0.940 0.845 0.847 0.000 0.000 0.000 3/35280 750.0 0.927 0.834 0.836 0.000 0.000 0.000 3/35280 760.0 0.914 0.822 0.825 0.000 0.000 0.000 3/35280 770.0 0.902 0.812 0.814 0.000 0.000 0.000 3/35280 780.0 0.891 0.801 0.803 0.000 0.000 0.000 3/35280 790.0 0.879 0.791 0.793 0.000 0.000 0.000 3/35280 800.0 0.868 0.781 0.783 0.000 0.000 0.000 3/35280 810.0 0.857 0.771 0.773 0.000 0.000 0.000 3/35280 820.0 0.847 0.761 0.763 0.000 0.000 0.000 3/35280 830.0 0.836 0.752 0.754 0.000 0.000 0.000 3/35280 840.0 0.826 0.743 0.745 0.000 0.000 0.000 3/35280 850.0 0.816 0.734 0.736 0.000 0.000 0.000 3/35280 860.0 0.807 0.726 0.727 0.000 0.000 0.000 3/35280 870.0 0.797 0.717 0.719 0.000 0.000 0.000 3/35280 880.0 0.788 0.709 0.710 0.000 0.000 0.000 3/35280 890.0 0.779 0.701 0.702 0.000 0.000 0.000 3/35280 900.0 0.771 0.693 0.694 0.000 0.000 0.000 3/35280 910.0 0.762 0.685 0.687 0.000 0.000 0.000 3/35280 920.0 0.754 0.678 0.679 0.000 0.000 0.000 3/35280 930.0 0.746 0.670 0.672 0.000 0.000 0.000 3/35280 940.0 0.738 0.663 0.664 0.000 0.000 0.000 3/35280 950.0 0.730 0.656 0.657 0.000 0.000 0.000 3/35280 960.0 0.722 0.649 0.650 0.000 0.000 0.000 3/35280 970.0 0.715 0.642 0.644 0.000 0.000 0.000 3/35280 980.0 0.707 0.636 0.637 0.000 0.000 0.000 3/35280 990.0 0.700 0.629 0.630 0.000 0.000 0.000 3/35280 1000.0 0.693 0.623 0.624 0.000 0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m756.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:07:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|