----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.873968540083100 -3.335560595000000 0.000000000000000 b 5.873968540083100 3.335560595000000 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): *1 Tm 0.68952637617494 0.69554624979979 0.04745264756251 168.934 2 Tm 0.30445375020021 0.31047362382506 0.45254735243749 168.934 3 Tm 0.69554624979979 0.68952637617494 0.54745264756251 168.934 4 Tm 0.31047362382506 0.30445375020021 0.95254735243749 168.934 *5 P 0.82944040482136 0.14611016318320 0.13251481865501 30.974 6 P 0.14611016318320 0.82944040482137 0.63251481865501 30.974 *7 P 0.22786837766738 0.24902289609957 0.16245528568841 30.974 8 P 0.75097710390043 0.77213162233262 0.33754471431159 30.974 9 P 0.24902289609957 0.22786837766738 0.66245528568842 30.974 10 P 0.77213162233262 0.75097710390043 0.83754471431158 30.974 11 P 0.85388983681679 0.17055959517864 0.36748518134499 30.974 12 P 0.17055959517864 0.85388983681679 0.86748518134499 30.974 *13 O 0.66076978596811 0.32207575048957 0.05498816410028 15.999 *14 O 0.87282169984864 0.90061058475882 0.10122203746131 15.999 15 O 0.32207575048957 0.66076978596811 0.55498816410028 15.999 *16 O 0.88127253910241 0.91799518421128 0.34536603847766 15.999 *17 O 0.07889885148336 0.45088973465015 0.09596225025746 15.999 *18 O 0.42701792339939 0.07767484390846 0.09619401150496 15.999 *19 O 0.30154165907594 0.31241771690729 0.28230935463811 15.999 20 O 0.90061058475882 0.87282169984864 0.60122203746131 15.999 21 O 0.91799518421128 0.88127253910241 0.84536603847766 15.999 22 O 0.68758228309271 0.69845834092406 0.21769064536189 15.999 23 O 0.92232515609153 0.57298207660061 0.40380598849504 15.999 24 O 0.54911026534985 0.92110114851664 0.40403774974254 15.999 25 O 0.45088973465015 0.07889885148336 0.59596225025746 15.999 26 O 0.07767484390846 0.42701792339939 0.59619401150496 15.999 27 O 0.31241771690729 0.30154165907594 0.78230935463811 15.999 28 O 0.08200481578872 0.11872746089759 0.15463396152234 15.999 29 O 0.09938941524118 0.12717830015136 0.39877796253869 15.999 30 O 0.69845834092406 0.68758228309271 0.71769064536189 15.999 31 O 0.57298207660061 0.92232515609153 0.90380598849504 15.999 32 O 0.92110114851664 0.54911026534985 0.90403774974254 15.999 *33 O 0.74169832003526 0.25830167996474 0.25000000000000 15.999 34 O 0.11872746089759 0.08200481578872 0.65463396152234 15.999 35 O 0.67792424951043 0.33923021403189 0.44501183589972 15.999 36 O 0.12717830015136 0.09938941524118 0.89877796253869 15.999 37 O 0.25830167996474 0.74169832003526 0.75000000000000 15.999 38 O 0.33923021403189 0.67792424951043 0.94501183589972 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.747937080166199 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671121189999999 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): *1 Tm 0.19253631298736 0.50300993681242 0.04745264756251 168.934 > 1 2 Tm 0.30746368701264 0.00300993681242 0.45254735243749 168.934 > 2 3 Tm 0.19253631298736 0.49699006318758 0.54745264756251 168.934 > 3 4 Tm 0.30746368701264 0.99699006318758 0.95254735243749 168.934 > 4 5 Tm 0.69253631298736 0.00300993681242 0.04745264756251 168.934 > 1 6 Tm 0.80746368701264 0.50300993681242 0.45254735243749 168.934 > 2 7 Tm 0.69253631298736 0.99699006318758 0.54745264756251 168.934 > 3 8 Tm 0.80746368701264 0.49699006318758 0.95254735243749 168.934 > 4 *9 P 0.48777528400228 0.65833487918092 0.13251481865501 30.974 > 5 10 P 0.48777528400228 0.34166512081908 0.63251481865501 30.974 > 6 *11 P 0.23844563688347 0.01057725921609 0.16245528568841 30.974 > 7 12 P 0.26155436311653 0.51057725921609 0.33754471431159 30.974 > 8 13 P 0.23844563688347 0.98942274078391 0.66245528568842 30.974 > 9 14 P 0.26155436311653 0.48942274078391 0.83754471431158 30.974 > 10 15 P 0.01222471599771 0.15833487918092 0.36748518134499 30.974 > 11 16 P 0.01222471599771 0.84166512081908 0.86748518134499 30.974 > 12 17 P 0.98777528400228 0.15833487918092 0.13251481865501 30.974 > 5 18 P 0.98777528400228 0.84166512081908 0.63251481865501 30.974 > 6 19 P 0.73844563688347 0.51057725921609 0.16245528568841 30.974 > 7 20 P 0.76155436311653 0.01057725921609 0.33754471431159 30.974 > 8 21 P 0.73844563688347 0.48942274078391 0.66245528568842 30.974 > 9 22 P 0.76155436311653 0.98942274078391 0.83754471431158 30.974 > 10 23 P 0.51222471599772 0.65833487918092 0.36748518134499 30.974 > 11 24 P 0.51222471599772 0.34166512081908 0.86748518134499 30.974 > 12 *25 O 0.49142276822884 0.83065298226073 0.05498816410028 15.999 > 13 *26 O 0.38671614230373 0.51389444245509 0.10122203746131 15.999 > 14 27 O 0.49142276822884 0.16934701773927 0.55498816410028 15.999 > 15 *28 O 0.39963386165684 0.51836132255443 0.34536603847766 15.999 > 16 *29 O 0.26489429306676 0.18599544158339 0.09596225025746 15.999 > 17 *30 O 0.25234638365393 0.82532846025454 0.09619401150496 15.999 > 18 *31 O 0.30697968799162 0.00543802891567 0.28230935463811 15.999 > 19 32 O 0.38671614230373 0.48610555754491 0.60122203746131 15.999 > 20 33 O 0.39963386165684 0.48163867744557 0.84536603847766 15.999 > 21 34 O 0.19302031200838 0.50543802891568 0.21769064536189 15.999 > 22 35 O 0.24765361634607 0.32532846025454 0.40380598849504 15.999 > 23 36 O 0.23510570693324 0.68599544158339 0.40403774974254 15.999 > 24 37 O 0.26489429306676 0.81400455841661 0.59596225025746 15.999 > 25 38 O 0.25234638365393 0.17467153974546 0.59619401150496 15.999 > 26 39 O 0.30697968799162 0.99456197108432 0.78230935463811 15.999 > 27 40 O 0.10036613834316 0.01836132255443 0.15463396152234 15.999 > 28 41 O 0.11328385769627 0.01389444245509 0.39877796253869 15.999 > 29 42 O 0.19302031200838 0.49456197108433 0.71769064536189 15.999 > 30 43 O 0.24765361634607 0.67467153974546 0.90380598849504 15.999 > 31 44 O 0.23510570693324 0.31400455841661 0.90403774974254 15.999 > 32 *45 O 0.00000000000000 0.25830167996474 0.25000000000000 15.999 > 33 46 O 0.10036613834316 0.98163867744557 0.65463396152234 15.999 > 34 47 O 0.00857723177116 0.33065298226073 0.44501183589972 15.999 > 35 48 O 0.11328385769627 0.98610555754491 0.89877796253869 15.999 > 36 49 O 0.00000000000000 0.74169832003526 0.75000000000000 15.999 > 37 50 O 0.00857723177116 0.66934701773927 0.94501183589972 15.999 > 38 51 O 0.99142276822884 0.33065298226073 0.05498816410028 15.999 > 13 52 O 0.88671614230373 0.01389444245509 0.10122203746131 15.999 > 14 53 O 0.99142276822884 0.66934701773927 0.55498816410028 15.999 > 15 54 O 0.89963386165684 0.01836132255443 0.34536603847766 15.999 > 16 55 O 0.76489429306676 0.68599544158339 0.09596225025746 15.999 > 17 56 O 0.75234638365393 0.32532846025454 0.09619401150496 15.999 > 18 57 O 0.80697968799162 0.50543802891568 0.28230935463811 15.999 > 19 58 O 0.88671614230373 0.98610555754491 0.60122203746131 15.999 > 20 59 O 0.89963386165684 0.98163867744557 0.84536603847766 15.999 > 21 60 O 0.69302031200838 0.00543802891568 0.21769064536189 15.999 > 22 61 O 0.74765361634607 0.82532846025454 0.40380598849504 15.999 > 23 62 O 0.73510570693324 0.18599544158339 0.40403774974254 15.999 > 24 63 O 0.76489429306676 0.31400455841661 0.59596225025746 15.999 > 25 64 O 0.75234638365393 0.67467153974546 0.59619401150496 15.999 > 26 65 O 0.80697968799162 0.49456197108432 0.78230935463811 15.999 > 27 66 O 0.60036613834316 0.51836132255443 0.15463396152234 15.999 > 28 67 O 0.61328385769627 0.51389444245509 0.39877796253869 15.999 > 29 68 O 0.69302031200838 0.99456197108432 0.71769064536189 15.999 > 30 69 O 0.74765361634607 0.17467153974546 0.90380598849504 15.999 > 31 70 O 0.73510570693324 0.81400455841661 0.90403774974254 15.999 > 32 71 O 0.50000000000000 0.75830167996474 0.25000000000000 15.999 > 33 72 O 0.60036613834316 0.48163867744557 0.65463396152234 15.999 > 34 73 O 0.50857723177116 0.83065298226073 0.44501183589972 15.999 > 35 74 O 0.61328385769627 0.48610555754491 0.89877796253869 15.999 > 36 75 O 0.50000000000000 0.24169832003526 0.75000000000000 15.999 > 37 76 O 0.50857723177116 0.16934701773927 0.94501183589972 15.999 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.747937080166199 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671121189999999 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): *1 Tm 0.19253631298736 0.50300993681242 0.04745264756251 168.934 > 1 2 Tm 0.30746368701264 0.00300993681242 0.45254735243749 168.934 > 2 3 Tm 0.19253631298736 0.49699006318758 0.54745264756251 168.934 > 3 4 Tm 0.30746368701264 0.99699006318758 0.95254735243749 168.934 > 4 5 Tm 0.69253631298736 0.00300993681242 0.04745264756251 168.934 > 1 6 Tm 0.80746368701264 0.50300993681242 0.45254735243749 168.934 > 2 7 Tm 0.69253631298736 0.99699006318758 0.54745264756251 168.934 > 3 8 Tm 0.80746368701264 0.49699006318758 0.95254735243749 168.934 > 4 *9 P 0.48777528400228 0.65833487918092 0.13251481865501 30.974 > 5 10 P 0.48777528400228 0.34166512081908 0.63251481865501 30.974 > 6 *11 P 0.23844563688347 0.01057725921609 0.16245528568841 30.974 > 7 12 P 0.26155436311653 0.51057725921609 0.33754471431159 30.974 > 8 13 P 0.23844563688347 0.98942274078391 0.66245528568842 30.974 > 9 14 P 0.26155436311653 0.48942274078391 0.83754471431158 30.974 > 10 15 P 0.01222471599771 0.15833487918092 0.36748518134499 30.974 > 11 16 P 0.01222471599771 0.84166512081908 0.86748518134499 30.974 > 12 17 P 0.98777528400228 0.15833487918092 0.13251481865501 30.974 > 5 18 P 0.98777528400228 0.84166512081908 0.63251481865501 30.974 > 6 19 P 0.73844563688347 0.51057725921609 0.16245528568841 30.974 > 7 20 P 0.76155436311653 0.01057725921609 0.33754471431159 30.974 > 8 21 P 0.73844563688347 0.48942274078391 0.66245528568842 30.974 > 9 22 P 0.76155436311653 0.98942274078391 0.83754471431158 30.974 > 10 23 P 0.51222471599772 0.65833487918092 0.36748518134499 30.974 > 11 24 P 0.51222471599772 0.34166512081908 0.86748518134499 30.974 > 12 *25 O 0.49142276822884 0.83065298226073 0.05498816410028 15.999 > 13 *26 O 0.38671614230373 0.51389444245509 0.10122203746131 15.999 > 14 27 O 0.49142276822884 0.16934701773927 0.55498816410028 15.999 > 15 *28 O 0.39963386165684 0.51836132255443 0.34536603847766 15.999 > 16 *29 O 0.26489429306676 0.18599544158339 0.09596225025746 15.999 > 17 *30 O 0.25234638365393 0.82532846025454 0.09619401150496 15.999 > 18 *31 O 0.30697968799162 0.00543802891567 0.28230935463811 15.999 > 19 32 O 0.38671614230373 0.48610555754491 0.60122203746131 15.999 > 20 33 O 0.39963386165684 0.48163867744557 0.84536603847766 15.999 > 21 34 O 0.19302031200838 0.50543802891568 0.21769064536189 15.999 > 22 35 O 0.24765361634607 0.32532846025454 0.40380598849504 15.999 > 23 36 O 0.23510570693324 0.68599544158339 0.40403774974254 15.999 > 24 37 O 0.26489429306676 0.81400455841661 0.59596225025746 15.999 > 25 38 O 0.25234638365393 0.17467153974546 0.59619401150496 15.999 > 26 39 O 0.30697968799162 0.99456197108432 0.78230935463811 15.999 > 27 40 O 0.10036613834316 0.01836132255443 0.15463396152234 15.999 > 28 41 O 0.11328385769627 0.01389444245509 0.39877796253869 15.999 > 29 42 O 0.19302031200838 0.49456197108433 0.71769064536189 15.999 > 30 43 O 0.24765361634607 0.67467153974546 0.90380598849504 15.999 > 31 44 O 0.23510570693324 0.31400455841661 0.90403774974254 15.999 > 32 *45 O 0.00000000000000 0.25830167996474 0.25000000000000 15.999 > 33 46 O 0.10036613834316 0.98163867744557 0.65463396152234 15.999 > 34 47 O 0.00857723177116 0.33065298226073 0.44501183589972 15.999 > 35 48 O 0.11328385769627 0.98610555754491 0.89877796253869 15.999 > 36 49 O 0.00000000000000 0.74169832003526 0.75000000000000 15.999 > 37 50 O 0.00857723177116 0.66934701773927 0.94501183589972 15.999 > 38 51 O 0.99142276822884 0.33065298226073 0.05498816410028 15.999 > 13 52 O 0.88671614230373 0.01389444245509 0.10122203746131 15.999 > 14 53 O 0.99142276822884 0.66934701773927 0.55498816410028 15.999 > 15 54 O 0.89963386165684 0.01836132255443 0.34536603847766 15.999 > 16 55 O 0.76489429306676 0.68599544158339 0.09596225025746 15.999 > 17 56 O 0.75234638365393 0.32532846025454 0.09619401150496 15.999 > 18 57 O 0.80697968799162 0.50543802891568 0.28230935463811 15.999 > 19 58 O 0.88671614230373 0.98610555754491 0.60122203746131 15.999 > 20 59 O 0.89963386165684 0.98163867744557 0.84536603847766 15.999 > 21 60 O 0.69302031200838 0.00543802891568 0.21769064536189 15.999 > 22 61 O 0.74765361634607 0.82532846025454 0.40380598849504 15.999 > 23 62 O 0.73510570693324 0.18599544158339 0.40403774974254 15.999 > 24 63 O 0.76489429306676 0.31400455841661 0.59596225025746 15.999 > 25 64 O 0.75234638365393 0.67467153974546 0.59619401150496 15.999 > 26 65 O 0.80697968799162 0.49456197108432 0.78230935463811 15.999 > 27 66 O 0.60036613834316 0.51836132255443 0.15463396152234 15.999 > 28 67 O 0.61328385769627 0.51389444245509 0.39877796253869 15.999 > 29 68 O 0.69302031200838 0.99456197108432 0.71769064536189 15.999 > 30 69 O 0.74765361634607 0.17467153974546 0.90380598849504 15.999 > 31 70 O 0.73510570693324 0.81400455841661 0.90403774974254 15.999 > 32 71 O 0.50000000000000 0.75830167996474 0.25000000000000 15.999 > 33 72 O 0.60036613834316 0.48163867744557 0.65463396152234 15.999 > 34 73 O 0.50857723177116 0.83065298226073 0.44501183589972 15.999 > 35 74 O 0.61328385769627 0.48610555754491 0.89877796253869 15.999 > 36 75 O 0.50000000000000 0.24169832003526 0.75000000000000 15.999 > 37 76 O 0.50857723177116 0.16934701773927 0.94501183589972 15.999 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9095203 0.0000000 -0.0542579 0.0000000 2.8386686 0.0000000 -0.0542608 0.0000000 3.0212269 -------------------------- Born effective charges -------------------------- 1 Tm 3.7923793 0.0620783 -0.1357157 0.1794086 3.9125276 0.0090612 -0.2127145 -0.1976086 4.1299441 2 Tm 3.7923793 -0.0620783 -0.1357157 -0.1794086 3.9125276 -0.0090612 -0.2127145 0.1976086 4.1299441 3 Tm 3.7923793 -0.0620783 -0.1357157 -0.1794086 3.9125276 -0.0090612 -0.2127145 0.1976086 4.1299441 4 Tm 3.7923793 0.0620783 -0.1357157 0.1794086 3.9125276 0.0090612 -0.2127145 -0.1976086 4.1299441 5 P 4.0937363 -0.3195504 0.1933854 -0.0705043 3.0936059 -0.3085827 -0.0002516 0.2982475 3.7901146 6 P 4.0937363 0.3195504 0.1933854 0.0705043 3.0936059 0.3085827 -0.0002516 -0.2982475 3.7901146 7 P 3.5905772 -0.2484447 -0.3607720 -0.6118594 3.3414842 0.0343270 -0.0890970 -0.0276680 4.1019904 8 P 3.5905772 0.2484447 -0.3607720 0.6118594 3.3414842 -0.0343270 -0.0890970 0.0276680 4.1019904 9 P 3.5905772 0.2484447 -0.3607720 0.6118594 3.3414842 -0.0343270 -0.0890970 0.0276680 4.1019904 10 P 3.5905772 -0.2484447 -0.3607720 -0.6118594 3.3414842 0.0343270 -0.0890970 -0.0276680 4.1019904 11 P 4.0937363 0.3195504 0.1933854 0.0705043 3.0936059 0.3085827 -0.0002516 -0.2982475 3.7901146 12 P 4.0937363 -0.3195504 0.1933854 -0.0705043 3.0936059 -0.3085827 -0.0002516 0.2982475 3.7901146 13 O -1.7921792 -0.0795068 -0.1475433 -0.1687105 -1.6756220 0.5989928 -0.1318724 0.6703005 -1.5375927 14 O -2.3387812 -0.5104140 -0.4003377 -0.4309375 -1.2517240 -0.1654654 -0.4908897 -0.3070967 -1.2463206 15 O -1.7921792 0.0795068 -0.1475433 0.1687105 -1.6756220 -0.5989928 -0.1318724 -0.6703005 -1.5375927 16 O -3.2073831 -0.8479907 -0.2813896 -0.8074311 -1.1674342 -0.1527306 -0.0927714 -0.0559461 -1.0276076 17 O -1.2092693 -0.1465473 0.4678002 0.1441171 -2.3114648 0.3781329 0.4449123 0.2512343 -1.7493587 18 O -1.2698986 0.3037821 0.3663763 0.1151513 -2.3456497 -0.5781051 0.3246552 -0.3114625 -1.7835875 19 O -1.0633438 0.1249340 0.0961636 0.1709969 -1.1194294 0.0696809 0.0657730 0.0595363 -3.1324363 20 O -2.3387812 0.5104140 -0.4003377 0.4309375 -1.2517240 0.1654654 -0.4908897 0.3070967 -1.2463206 21 O -3.2073831 0.8479907 -0.2813896 0.8074311 -1.1674342 0.1527306 -0.0927714 0.0559461 -1.0276076 22 O -1.0633438 -0.1249340 0.0961636 -0.1709969 -1.1194294 -0.0696809 0.0657730 -0.0595363 -3.1324363 23 O -1.2698986 -0.3037821 0.3663763 -0.1151513 -2.3456497 0.5781051 0.3246552 0.3114625 -1.7835875 24 O -1.2092693 0.1465473 0.4678002 -0.1441171 -2.3114648 -0.3781329 0.4449123 -0.2512343 -1.7493587 25 O -1.2092693 0.1465473 0.4678002 -0.1441171 -2.3114648 -0.3781329 0.4449123 -0.2512343 -1.7493587 26 O -1.2698986 -0.3037821 0.3663763 -0.1151513 -2.3456497 0.5781051 0.3246552 0.3114625 -1.7835875 27 O -1.0633438 -0.1249340 0.0961636 -0.1709969 -1.1194294 -0.0696809 0.0657730 -0.0595363 -3.1324363 28 O -3.2073831 0.8479907 -0.2813896 0.8074311 -1.1674342 0.1527306 -0.0927714 0.0559461 -1.0276076 29 O -2.3387812 0.5104140 -0.4003377 0.4309375 -1.2517240 0.1654654 -0.4908897 0.3070967 -1.2463206 30 O -1.0633438 0.1249340 0.0961636 0.1709969 -1.1194294 0.0696809 0.0657730 0.0595363 -3.1324363 31 O -1.2698986 0.3037821 0.3663763 0.1151513 -2.3456497 -0.5781051 0.3246552 -0.3114625 -1.7835875 32 O -1.2092693 -0.1465473 0.4678002 0.1441171 -2.3114648 0.3781329 0.4449123 0.2512343 -1.7493587 33 O -1.1916752 0.0000000 0.4040656 -0.0000000 -0.9525873 0.0000000 0.3645120 0.0000000 -3.0902918 34 O -3.2073831 -0.8479907 -0.2813896 -0.8074311 -1.1674342 -0.1527306 -0.0927714 -0.0559461 -1.0276076 35 O -1.7921792 0.0795068 -0.1475433 0.1687105 -1.6756220 -0.5989928 -0.1318724 -0.6703005 -1.5375927 36 O -2.3387812 -0.5104140 -0.4003377 -0.4309375 -1.2517240 -0.1654654 -0.4908897 -0.3070967 -1.2463206 37 O -1.1916752 0.0000000 0.4040656 -0.0000000 -0.9525873 0.0000000 0.3645120 0.0000000 -3.0902918 38 O -1.7921792 -0.0795068 -0.1475433 -0.1687105 -1.6756220 0.5989928 -0.1318724 0.6703005 -1.5375927 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 16341/16341 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3279), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.689 Solver_block: 200 / 1200 - Time: 0.561 Solver_block: 300 / 1200 - Time: 0.561 Solver_block: 400 / 1200 - Time: 0.563 Solver_block: 500 / 1200 - Time: 0.561 Solver_block: 600 / 1200 - Time: 0.558 Solver_block: 700 / 1200 - Time: 0.556 Solver_block: 800 / 1200 - Time: 0.558 Solver_block: 900 / 1200 - Time: 0.554 Solver_block: 1000 / 1200 - Time: 0.564 Solver_block: 1100 / 1200 - Time: 0.558 Solver_block: 1200 / 1200 - Time: 0.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.988 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 16341/16341 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3279), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:47:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:47:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.873968540083100 -3.335560595000000 0.000000000000000 b 5.873968540083100 3.335560595000000 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): 1 Tm 0.68952637617494 0.69554624979979 0.04745264756251 168.934 2 Tm 0.30445375020021 0.31047362382506 0.45254735243749 168.934 3 Tm 0.69554624979979 0.68952637617494 0.54745264756251 168.934 4 Tm 0.31047362382506 0.30445375020021 0.95254735243749 168.934 5 P 0.82944040482136 0.14611016318320 0.13251481865501 30.974 6 P 0.14611016318320 0.82944040482137 0.63251481865501 30.974 7 P 0.22786837766738 0.24902289609957 0.16245528568841 30.974 8 P 0.75097710390043 0.77213162233262 0.33754471431159 30.974 9 P 0.24902289609957 0.22786837766738 0.66245528568842 30.974 10 P 0.77213162233262 0.75097710390043 0.83754471431158 30.974 11 P 0.85388983681679 0.17055959517864 0.36748518134499 30.974 12 P 0.17055959517864 0.85388983681679 0.86748518134499 30.974 13 O 0.66076978596811 0.32207575048957 0.05498816410028 15.999 14 O 0.87282169984864 0.90061058475882 0.10122203746131 15.999 15 O 0.32207575048957 0.66076978596811 0.55498816410028 15.999 16 O 0.88127253910241 0.91799518421128 0.34536603847766 15.999 17 O 0.07889885148336 0.45088973465015 0.09596225025746 15.999 18 O 0.42701792339939 0.07767484390846 0.09619401150496 15.999 19 O 0.30154165907594 0.31241771690729 0.28230935463811 15.999 20 O 0.90061058475882 0.87282169984864 0.60122203746131 15.999 21 O 0.91799518421128 0.88127253910241 0.84536603847766 15.999 22 O 0.68758228309271 0.69845834092406 0.21769064536189 15.999 23 O 0.92232515609153 0.57298207660061 0.40380598849504 15.999 24 O 0.54911026534985 0.92110114851664 0.40403774974254 15.999 25 O 0.45088973465015 0.07889885148336 0.59596225025746 15.999 26 O 0.07767484390846 0.42701792339939 0.59619401150496 15.999 27 O 0.31241771690729 0.30154165907594 0.78230935463811 15.999 28 O 0.08200481578872 0.11872746089759 0.15463396152234 15.999 29 O 0.09938941524118 0.12717830015136 0.39877796253869 15.999 30 O 0.69845834092406 0.68758228309271 0.71769064536189 15.999 31 O 0.57298207660061 0.92232515609153 0.90380598849504 15.999 32 O 0.92110114851664 0.54911026534985 0.90403774974254 15.999 33 O 0.74169832003526 0.25830167996474 0.25000000000000 15.999 34 O 0.11872746089759 0.08200481578872 0.65463396152234 15.999 35 O 0.67792424951043 0.33923021403189 0.44501183589972 15.999 36 O 0.12717830015136 0.09938941524118 0.89877796253869 15.999 37 O 0.25830167996474 0.74169832003526 0.75000000000000 15.999 38 O 0.33923021403189 0.67792424951043 0.94501183589972 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.747937080166199 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671121189999999 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): 1 Tm 0.19253631298736 0.50300993681242 0.04745264756251 168.934 > 1 2 Tm 0.30746368701264 0.00300993681242 0.45254735243749 168.934 > 2 3 Tm 0.19253631298736 0.49699006318758 0.54745264756251 168.934 > 3 4 Tm 0.30746368701264 0.99699006318758 0.95254735243749 168.934 > 4 5 Tm 0.69253631298736 0.00300993681242 0.04745264756251 168.934 > 1 6 Tm 0.80746368701264 0.50300993681242 0.45254735243749 168.934 > 2 7 Tm 0.69253631298736 0.99699006318758 0.54745264756251 168.934 > 3 8 Tm 0.80746368701264 0.49699006318758 0.95254735243749 168.934 > 4 9 P 0.48777528400228 0.65833487918092 0.13251481865501 30.974 > 9 10 P 0.48777528400228 0.34166512081908 0.63251481865501 30.974 > 10 11 P 0.23844563688347 0.01057725921609 0.16245528568841 30.974 > 11 12 P 0.26155436311653 0.51057725921609 0.33754471431159 30.974 > 12 13 P 0.23844563688347 0.98942274078391 0.66245528568842 30.974 > 13 14 P 0.26155436311653 0.48942274078391 0.83754471431158 30.974 > 14 15 P 0.01222471599771 0.15833487918092 0.36748518134499 30.974 > 15 16 P 0.01222471599771 0.84166512081908 0.86748518134499 30.974 > 16 17 P 0.98777528400228 0.15833487918092 0.13251481865501 30.974 > 9 18 P 0.98777528400228 0.84166512081908 0.63251481865501 30.974 > 10 19 P 0.73844563688347 0.51057725921609 0.16245528568841 30.974 > 11 20 P 0.76155436311653 0.01057725921609 0.33754471431159 30.974 > 12 21 P 0.73844563688347 0.48942274078391 0.66245528568842 30.974 > 13 22 P 0.76155436311653 0.98942274078391 0.83754471431158 30.974 > 14 23 P 0.51222471599772 0.65833487918092 0.36748518134499 30.974 > 15 24 P 0.51222471599772 0.34166512081908 0.86748518134499 30.974 > 16 25 O 0.49142276822884 0.83065298226073 0.05498816410028 15.999 > 25 26 O 0.38671614230373 0.51389444245509 0.10122203746131 15.999 > 26 27 O 0.49142276822884 0.16934701773927 0.55498816410028 15.999 > 27 28 O 0.39963386165684 0.51836132255443 0.34536603847766 15.999 > 28 29 O 0.26489429306676 0.18599544158339 0.09596225025746 15.999 > 29 30 O 0.25234638365393 0.82532846025454 0.09619401150496 15.999 > 30 31 O 0.30697968799162 0.00543802891567 0.28230935463811 15.999 > 31 32 O 0.38671614230373 0.48610555754491 0.60122203746131 15.999 > 32 33 O 0.39963386165684 0.48163867744557 0.84536603847766 15.999 > 33 34 O 0.19302031200838 0.50543802891568 0.21769064536189 15.999 > 34 35 O 0.24765361634607 0.32532846025454 0.40380598849504 15.999 > 35 36 O 0.23510570693324 0.68599544158339 0.40403774974254 15.999 > 36 37 O 0.26489429306676 0.81400455841661 0.59596225025746 15.999 > 37 38 O 0.25234638365393 0.17467153974546 0.59619401150496 15.999 > 38 39 O 0.30697968799162 0.99456197108432 0.78230935463811 15.999 > 39 40 O 0.10036613834316 0.01836132255443 0.15463396152234 15.999 > 40 41 O 0.11328385769627 0.01389444245509 0.39877796253869 15.999 > 41 42 O 0.19302031200838 0.49456197108433 0.71769064536189 15.999 > 42 43 O 0.24765361634607 0.67467153974546 0.90380598849504 15.999 > 43 44 O 0.23510570693324 0.31400455841661 0.90403774974254 15.999 > 44 45 O 0.00000000000000 0.25830167996474 0.25000000000000 15.999 > 45 46 O 0.10036613834316 0.98163867744557 0.65463396152234 15.999 > 46 47 O 0.00857723177116 0.33065298226073 0.44501183589972 15.999 > 47 48 O 0.11328385769627 0.98610555754491 0.89877796253869 15.999 > 48 49 O 0.00000000000000 0.74169832003526 0.75000000000000 15.999 > 49 50 O 0.00857723177116 0.66934701773927 0.94501183589972 15.999 > 50 51 O 0.99142276822884 0.33065298226073 0.05498816410028 15.999 > 25 52 O 0.88671614230373 0.01389444245509 0.10122203746131 15.999 > 26 53 O 0.99142276822884 0.66934701773927 0.55498816410028 15.999 > 27 54 O 0.89963386165684 0.01836132255443 0.34536603847766 15.999 > 28 55 O 0.76489429306676 0.68599544158339 0.09596225025746 15.999 > 29 56 O 0.75234638365393 0.32532846025454 0.09619401150496 15.999 > 30 57 O 0.80697968799162 0.50543802891568 0.28230935463811 15.999 > 31 58 O 0.88671614230373 0.98610555754491 0.60122203746131 15.999 > 32 59 O 0.89963386165684 0.98163867744557 0.84536603847766 15.999 > 33 60 O 0.69302031200838 0.00543802891568 0.21769064536189 15.999 > 34 61 O 0.74765361634607 0.82532846025454 0.40380598849504 15.999 > 35 62 O 0.73510570693324 0.18599544158339 0.40403774974254 15.999 > 36 63 O 0.76489429306676 0.31400455841661 0.59596225025746 15.999 > 37 64 O 0.75234638365393 0.67467153974546 0.59619401150496 15.999 > 38 65 O 0.80697968799162 0.49456197108432 0.78230935463811 15.999 > 39 66 O 0.60036613834316 0.51836132255443 0.15463396152234 15.999 > 40 67 O 0.61328385769627 0.51389444245509 0.39877796253869 15.999 > 41 68 O 0.69302031200838 0.99456197108432 0.71769064536189 15.999 > 42 69 O 0.74765361634607 0.17467153974546 0.90380598849504 15.999 > 43 70 O 0.73510570693324 0.81400455841661 0.90403774974254 15.999 > 44 71 O 0.50000000000000 0.75830167996474 0.25000000000000 15.999 > 45 72 O 0.60036613834316 0.48163867744557 0.65463396152234 15.999 > 46 73 O 0.50857723177116 0.83065298226073 0.44501183589972 15.999 > 47 74 O 0.61328385769627 0.48610555754491 0.89877796253869 15.999 > 48 75 O 0.50000000000000 0.24169832003526 0.75000000000000 15.999 > 49 76 O 0.50857723177116 0.16934701773927 0.94501183589972 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9095203 0.0000000 -0.0542579 0.0000000 2.8386686 0.0000000 -0.0542608 0.0000000 3.0212269 -------------------------- Born effective charges -------------------------- 1 Tm 3.7923793 0.0620783 -0.1357157 0.1794086 3.9125276 0.0090612 -0.2127145 -0.1976086 4.1299441 2 Tm 3.7923793 -0.0620783 -0.1357157 -0.1794086 3.9125276 -0.0090612 -0.2127145 0.1976086 4.1299441 3 Tm 3.7923793 -0.0620783 -0.1357157 -0.1794086 3.9125276 -0.0090612 -0.2127145 0.1976086 4.1299441 4 Tm 3.7923793 0.0620783 -0.1357157 0.1794086 3.9125276 0.0090612 -0.2127145 -0.1976086 4.1299441 5 P 4.0937363 -0.3195504 0.1933854 -0.0705043 3.0936059 -0.3085827 -0.0002516 0.2982475 3.7901146 6 P 4.0937363 0.3195504 0.1933854 0.0705043 3.0936059 0.3085827 -0.0002516 -0.2982475 3.7901146 7 P 3.5905772 -0.2484447 -0.3607720 -0.6118594 3.3414842 0.0343270 -0.0890970 -0.0276680 4.1019904 8 P 3.5905772 0.2484447 -0.3607720 0.6118594 3.3414842 -0.0343270 -0.0890970 0.0276680 4.1019904 9 P 3.5905772 0.2484447 -0.3607720 0.6118594 3.3414842 -0.0343270 -0.0890970 0.0276680 4.1019904 10 P 3.5905772 -0.2484447 -0.3607720 -0.6118594 3.3414842 0.0343270 -0.0890970 -0.0276680 4.1019904 11 P 4.0937363 0.3195504 0.1933854 0.0705043 3.0936059 0.3085827 -0.0002516 -0.2982475 3.7901146 12 P 4.0937363 -0.3195504 0.1933854 -0.0705043 3.0936059 -0.3085827 -0.0002516 0.2982475 3.7901146 13 O -1.7921792 -0.0795068 -0.1475433 -0.1687105 -1.6756220 0.5989928 -0.1318724 0.6703005 -1.5375927 14 O -2.3387812 -0.5104140 -0.4003377 -0.4309375 -1.2517240 -0.1654654 -0.4908897 -0.3070967 -1.2463206 15 O -1.7921792 0.0795068 -0.1475433 0.1687105 -1.6756220 -0.5989928 -0.1318724 -0.6703005 -1.5375927 16 O -3.2073831 -0.8479907 -0.2813896 -0.8074311 -1.1674342 -0.1527306 -0.0927714 -0.0559461 -1.0276076 17 O -1.2092693 -0.1465473 0.4678002 0.1441171 -2.3114648 0.3781329 0.4449123 0.2512343 -1.7493587 18 O -1.2698986 0.3037821 0.3663763 0.1151513 -2.3456497 -0.5781051 0.3246552 -0.3114625 -1.7835875 19 O -1.0633438 0.1249340 0.0961636 0.1709969 -1.1194294 0.0696809 0.0657730 0.0595363 -3.1324363 20 O -2.3387812 0.5104140 -0.4003377 0.4309375 -1.2517240 0.1654654 -0.4908897 0.3070967 -1.2463206 21 O -3.2073831 0.8479907 -0.2813896 0.8074311 -1.1674342 0.1527306 -0.0927714 0.0559461 -1.0276076 22 O -1.0633438 -0.1249340 0.0961636 -0.1709969 -1.1194294 -0.0696809 0.0657730 -0.0595363 -3.1324363 23 O -1.2698986 -0.3037821 0.3663763 -0.1151513 -2.3456497 0.5781051 0.3246552 0.3114625 -1.7835875 24 O -1.2092693 0.1465473 0.4678002 -0.1441171 -2.3114648 -0.3781329 0.4449123 -0.2512343 -1.7493587 25 O -1.2092693 0.1465473 0.4678002 -0.1441171 -2.3114648 -0.3781329 0.4449123 -0.2512343 -1.7493587 26 O -1.2698986 -0.3037821 0.3663763 -0.1151513 -2.3456497 0.5781051 0.3246552 0.3114625 -1.7835875 27 O -1.0633438 -0.1249340 0.0961636 -0.1709969 -1.1194294 -0.0696809 0.0657730 -0.0595363 -3.1324363 28 O -3.2073831 0.8479907 -0.2813896 0.8074311 -1.1674342 0.1527306 -0.0927714 0.0559461 -1.0276076 29 O -2.3387812 0.5104140 -0.4003377 0.4309375 -1.2517240 0.1654654 -0.4908897 0.3070967 -1.2463206 30 O -1.0633438 0.1249340 0.0961636 0.1709969 -1.1194294 0.0696809 0.0657730 0.0595363 -3.1324363 31 O -1.2698986 0.3037821 0.3663763 0.1151513 -2.3456497 -0.5781051 0.3246552 -0.3114625 -1.7835875 32 O -1.2092693 -0.1465473 0.4678002 0.1441171 -2.3114648 0.3781329 0.4449123 0.2512343 -1.7493587 33 O -1.1916752 0.0000000 0.4040656 -0.0000000 -0.9525873 0.0000000 0.3645120 0.0000000 -3.0902918 34 O -3.2073831 -0.8479907 -0.2813896 -0.8074311 -1.1674342 -0.1527306 -0.0927714 -0.0559461 -1.0276076 35 O -1.7921792 0.0795068 -0.1475433 0.1687105 -1.6756220 -0.5989928 -0.1318724 -0.6703005 -1.5375927 36 O -2.3387812 -0.5104140 -0.4003377 -0.4309375 -1.2517240 -0.1654654 -0.4908897 -0.3070967 -1.2463206 37 O -1.1916752 0.0000000 0.4040656 -0.0000000 -0.9525873 0.0000000 0.3645120 0.0000000 -3.0902918 38 O -1.7921792 -0.0795068 -0.1475433 -0.1687105 -1.6756220 0.5989928 -0.1318724 0.6703005 -1.5375927 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 11, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 26, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 28, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 30, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 31, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:47:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:47:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.873968540083100 -3.335560595000000 0.000000000000000 b 5.873968540083100 3.335560595000000 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): 1 Tm 0.68952637617494 0.69554624979979 0.04745264756251 168.934 2 Tm 0.30445375020021 0.31047362382506 0.45254735243749 168.934 3 Tm 0.69554624979979 0.68952637617494 0.54745264756251 168.934 4 Tm 0.31047362382506 0.30445375020021 0.95254735243749 168.934 5 P 0.82944040482136 0.14611016318320 0.13251481865501 30.974 6 P 0.14611016318320 0.82944040482137 0.63251481865501 30.974 7 P 0.22786837766738 0.24902289609957 0.16245528568841 30.974 8 P 0.75097710390043 0.77213162233262 0.33754471431159 30.974 9 P 0.24902289609957 0.22786837766738 0.66245528568842 30.974 10 P 0.77213162233262 0.75097710390043 0.83754471431158 30.974 11 P 0.85388983681679 0.17055959517864 0.36748518134499 30.974 12 P 0.17055959517864 0.85388983681679 0.86748518134499 30.974 13 O 0.66076978596811 0.32207575048957 0.05498816410028 15.999 14 O 0.87282169984864 0.90061058475882 0.10122203746131 15.999 15 O 0.32207575048957 0.66076978596811 0.55498816410028 15.999 16 O 0.88127253910241 0.91799518421128 0.34536603847766 15.999 17 O 0.07889885148336 0.45088973465015 0.09596225025746 15.999 18 O 0.42701792339939 0.07767484390846 0.09619401150496 15.999 19 O 0.30154165907594 0.31241771690729 0.28230935463811 15.999 20 O 0.90061058475882 0.87282169984864 0.60122203746131 15.999 21 O 0.91799518421128 0.88127253910241 0.84536603847766 15.999 22 O 0.68758228309271 0.69845834092406 0.21769064536189 15.999 23 O 0.92232515609153 0.57298207660061 0.40380598849504 15.999 24 O 0.54911026534985 0.92110114851664 0.40403774974254 15.999 25 O 0.45088973465015 0.07889885148336 0.59596225025746 15.999 26 O 0.07767484390846 0.42701792339939 0.59619401150496 15.999 27 O 0.31241771690729 0.30154165907594 0.78230935463811 15.999 28 O 0.08200481578872 0.11872746089759 0.15463396152234 15.999 29 O 0.09938941524118 0.12717830015136 0.39877796253869 15.999 30 O 0.69845834092406 0.68758228309271 0.71769064536189 15.999 31 O 0.57298207660061 0.92232515609153 0.90380598849504 15.999 32 O 0.92110114851664 0.54911026534985 0.90403774974254 15.999 33 O 0.74169832003526 0.25830167996474 0.25000000000000 15.999 34 O 0.11872746089759 0.08200481578872 0.65463396152234 15.999 35 O 0.67792424951043 0.33923021403189 0.44501183589972 15.999 36 O 0.12717830015136 0.09938941524118 0.89877796253869 15.999 37 O 0.25830167996474 0.74169832003526 0.75000000000000 15.999 38 O 0.33923021403189 0.67792424951043 0.94501183589972 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.747937080166199 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671121189999999 0.000000000000000 c -3.760246226460284 0.000000000000000 12.174014978551082 Atomic positions (fractional): 1 Tm 0.19253631298736 0.50300993681242 0.04745264756251 168.934 > 1 2 Tm 0.30746368701264 0.00300993681242 0.45254735243749 168.934 > 2 3 Tm 0.19253631298736 0.49699006318758 0.54745264756251 168.934 > 3 4 Tm 0.30746368701264 0.99699006318758 0.95254735243749 168.934 > 4 5 Tm 0.69253631298736 0.00300993681242 0.04745264756251 168.934 > 1 6 Tm 0.80746368701264 0.50300993681242 0.45254735243749 168.934 > 2 7 Tm 0.69253631298736 0.99699006318758 0.54745264756251 168.934 > 3 8 Tm 0.80746368701264 0.49699006318758 0.95254735243749 168.934 > 4 9 P 0.48777528400228 0.65833487918092 0.13251481865501 30.974 > 9 10 P 0.48777528400228 0.34166512081908 0.63251481865501 30.974 > 10 11 P 0.23844563688347 0.01057725921609 0.16245528568841 30.974 > 11 12 P 0.26155436311653 0.51057725921609 0.33754471431159 30.974 > 12 13 P 0.23844563688347 0.98942274078391 0.66245528568842 30.974 > 13 14 P 0.26155436311653 0.48942274078391 0.83754471431158 30.974 > 14 15 P 0.01222471599771 0.15833487918092 0.36748518134499 30.974 > 15 16 P 0.01222471599771 0.84166512081908 0.86748518134499 30.974 > 16 17 P 0.98777528400228 0.15833487918092 0.13251481865501 30.974 > 9 18 P 0.98777528400228 0.84166512081908 0.63251481865501 30.974 > 10 19 P 0.73844563688347 0.51057725921609 0.16245528568841 30.974 > 11 20 P 0.76155436311653 0.01057725921609 0.33754471431159 30.974 > 12 21 P 0.73844563688347 0.48942274078391 0.66245528568842 30.974 > 13 22 P 0.76155436311653 0.98942274078391 0.83754471431158 30.974 > 14 23 P 0.51222471599772 0.65833487918092 0.36748518134499 30.974 > 15 24 P 0.51222471599772 0.34166512081908 0.86748518134499 30.974 > 16 25 O 0.49142276822884 0.83065298226073 0.05498816410028 15.999 > 25 26 O 0.38671614230373 0.51389444245509 0.10122203746131 15.999 > 26 27 O 0.49142276822884 0.16934701773927 0.55498816410028 15.999 > 27 28 O 0.39963386165684 0.51836132255443 0.34536603847766 15.999 > 28 29 O 0.26489429306676 0.18599544158339 0.09596225025746 15.999 > 29 30 O 0.25234638365393 0.82532846025454 0.09619401150496 15.999 > 30 31 O 0.30697968799162 0.00543802891567 0.28230935463811 15.999 > 31 32 O 0.38671614230373 0.48610555754491 0.60122203746131 15.999 > 32 33 O 0.39963386165684 0.48163867744557 0.84536603847766 15.999 > 33 34 O 0.19302031200838 0.50543802891568 0.21769064536189 15.999 > 34 35 O 0.24765361634607 0.32532846025454 0.40380598849504 15.999 > 35 36 O 0.23510570693324 0.68599544158339 0.40403774974254 15.999 > 36 37 O 0.26489429306676 0.81400455841661 0.59596225025746 15.999 > 37 38 O 0.25234638365393 0.17467153974546 0.59619401150496 15.999 > 38 39 O 0.30697968799162 0.99456197108432 0.78230935463811 15.999 > 39 40 O 0.10036613834316 0.01836132255443 0.15463396152234 15.999 > 40 41 O 0.11328385769627 0.01389444245509 0.39877796253869 15.999 > 41 42 O 0.19302031200838 0.49456197108433 0.71769064536189 15.999 > 42 43 O 0.24765361634607 0.67467153974546 0.90380598849504 15.999 > 43 44 O 0.23510570693324 0.31400455841661 0.90403774974254 15.999 > 44 45 O 0.00000000000000 0.25830167996474 0.25000000000000 15.999 > 45 46 O 0.10036613834316 0.98163867744557 0.65463396152234 15.999 > 46 47 O 0.00857723177116 0.33065298226073 0.44501183589972 15.999 > 47 48 O 0.11328385769627 0.98610555754491 0.89877796253869 15.999 > 48 49 O 0.00000000000000 0.74169832003526 0.75000000000000 15.999 > 49 50 O 0.00857723177116 0.66934701773927 0.94501183589972 15.999 > 50 51 O 0.99142276822884 0.33065298226073 0.05498816410028 15.999 > 25 52 O 0.88671614230373 0.01389444245509 0.10122203746131 15.999 > 26 53 O 0.99142276822884 0.66934701773927 0.55498816410028 15.999 > 27 54 O 0.89963386165684 0.01836132255443 0.34536603847766 15.999 > 28 55 O 0.76489429306676 0.68599544158339 0.09596225025746 15.999 > 29 56 O 0.75234638365393 0.32532846025454 0.09619401150496 15.999 > 30 57 O 0.80697968799162 0.50543802891568 0.28230935463811 15.999 > 31 58 O 0.88671614230373 0.98610555754491 0.60122203746131 15.999 > 32 59 O 0.89963386165684 0.98163867744557 0.84536603847766 15.999 > 33 60 O 0.69302031200838 0.00543802891568 0.21769064536189 15.999 > 34 61 O 0.74765361634607 0.82532846025454 0.40380598849504 15.999 > 35 62 O 0.73510570693324 0.18599544158339 0.40403774974254 15.999 > 36 63 O 0.76489429306676 0.31400455841661 0.59596225025746 15.999 > 37 64 O 0.75234638365393 0.67467153974546 0.59619401150496 15.999 > 38 65 O 0.80697968799162 0.49456197108432 0.78230935463811 15.999 > 39 66 O 0.60036613834316 0.51836132255443 0.15463396152234 15.999 > 40 67 O 0.61328385769627 0.51389444245509 0.39877796253869 15.999 > 41 68 O 0.69302031200838 0.99456197108432 0.71769064536189 15.999 > 42 69 O 0.74765361634607 0.17467153974546 0.90380598849504 15.999 > 43 70 O 0.73510570693324 0.81400455841661 0.90403774974254 15.999 > 44 71 O 0.50000000000000 0.75830167996474 0.25000000000000 15.999 > 45 72 O 0.60036613834316 0.48163867744557 0.65463396152234 15.999 > 46 73 O 0.50857723177116 0.83065298226073 0.44501183589972 15.999 > 47 74 O 0.61328385769627 0.48610555754491 0.89877796253869 15.999 > 48 75 O 0.50000000000000 0.24169832003526 0.75000000000000 15.999 > 49 76 O 0.50857723177116 0.16934701773927 0.94501183589972 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9095203 0.0000000 -0.0542579 0.0000000 2.8386686 0.0000000 -0.0542608 0.0000000 3.0212269 -------------------------- Born effective charges -------------------------- 1 Tm 3.7923793 0.0620783 -0.1357157 0.1794086 3.9125276 0.0090612 -0.2127145 -0.1976086 4.1299441 2 Tm 3.7923793 -0.0620783 -0.1357157 -0.1794086 3.9125276 -0.0090612 -0.2127145 0.1976086 4.1299441 3 Tm 3.7923793 -0.0620783 -0.1357157 -0.1794086 3.9125276 -0.0090612 -0.2127145 0.1976086 4.1299441 4 Tm 3.7923793 0.0620783 -0.1357157 0.1794086 3.9125276 0.0090612 -0.2127145 -0.1976086 4.1299441 5 P 4.0937363 -0.3195504 0.1933854 -0.0705043 3.0936059 -0.3085827 -0.0002516 0.2982475 3.7901146 6 P 4.0937363 0.3195504 0.1933854 0.0705043 3.0936059 0.3085827 -0.0002516 -0.2982475 3.7901146 7 P 3.5905772 -0.2484447 -0.3607720 -0.6118594 3.3414842 0.0343270 -0.0890970 -0.0276680 4.1019904 8 P 3.5905772 0.2484447 -0.3607720 0.6118594 3.3414842 -0.0343270 -0.0890970 0.0276680 4.1019904 9 P 3.5905772 0.2484447 -0.3607720 0.6118594 3.3414842 -0.0343270 -0.0890970 0.0276680 4.1019904 10 P 3.5905772 -0.2484447 -0.3607720 -0.6118594 3.3414842 0.0343270 -0.0890970 -0.0276680 4.1019904 11 P 4.0937363 0.3195504 0.1933854 0.0705043 3.0936059 0.3085827 -0.0002516 -0.2982475 3.7901146 12 P 4.0937363 -0.3195504 0.1933854 -0.0705043 3.0936059 -0.3085827 -0.0002516 0.2982475 3.7901146 13 O -1.7921792 -0.0795068 -0.1475433 -0.1687105 -1.6756220 0.5989928 -0.1318724 0.6703005 -1.5375927 14 O -2.3387812 -0.5104140 -0.4003377 -0.4309375 -1.2517240 -0.1654654 -0.4908897 -0.3070967 -1.2463206 15 O -1.7921792 0.0795068 -0.1475433 0.1687105 -1.6756220 -0.5989928 -0.1318724 -0.6703005 -1.5375927 16 O -3.2073831 -0.8479907 -0.2813896 -0.8074311 -1.1674342 -0.1527306 -0.0927714 -0.0559461 -1.0276076 17 O -1.2092693 -0.1465473 0.4678002 0.1441171 -2.3114648 0.3781329 0.4449123 0.2512343 -1.7493587 18 O -1.2698986 0.3037821 0.3663763 0.1151513 -2.3456497 -0.5781051 0.3246552 -0.3114625 -1.7835875 19 O -1.0633438 0.1249340 0.0961636 0.1709969 -1.1194294 0.0696809 0.0657730 0.0595363 -3.1324363 20 O -2.3387812 0.5104140 -0.4003377 0.4309375 -1.2517240 0.1654654 -0.4908897 0.3070967 -1.2463206 21 O -3.2073831 0.8479907 -0.2813896 0.8074311 -1.1674342 0.1527306 -0.0927714 0.0559461 -1.0276076 22 O -1.0633438 -0.1249340 0.0961636 -0.1709969 -1.1194294 -0.0696809 0.0657730 -0.0595363 -3.1324363 23 O -1.2698986 -0.3037821 0.3663763 -0.1151513 -2.3456497 0.5781051 0.3246552 0.3114625 -1.7835875 24 O -1.2092693 0.1465473 0.4678002 -0.1441171 -2.3114648 -0.3781329 0.4449123 -0.2512343 -1.7493587 25 O -1.2092693 0.1465473 0.4678002 -0.1441171 -2.3114648 -0.3781329 0.4449123 -0.2512343 -1.7493587 26 O -1.2698986 -0.3037821 0.3663763 -0.1151513 -2.3456497 0.5781051 0.3246552 0.3114625 -1.7835875 27 O -1.0633438 -0.1249340 0.0961636 -0.1709969 -1.1194294 -0.0696809 0.0657730 -0.0595363 -3.1324363 28 O -3.2073831 0.8479907 -0.2813896 0.8074311 -1.1674342 0.1527306 -0.0927714 0.0559461 -1.0276076 29 O -2.3387812 0.5104140 -0.4003377 0.4309375 -1.2517240 0.1654654 -0.4908897 0.3070967 -1.2463206 30 O -1.0633438 0.1249340 0.0961636 0.1709969 -1.1194294 0.0696809 0.0657730 0.0595363 -3.1324363 31 O -1.2698986 0.3037821 0.3663763 0.1151513 -2.3456497 -0.5781051 0.3246552 -0.3114625 -1.7835875 32 O -1.2092693 -0.1465473 0.4678002 0.1441171 -2.3114648 0.3781329 0.4449123 0.2512343 -1.7493587 33 O -1.1916752 0.0000000 0.4040656 -0.0000000 -0.9525873 0.0000000 0.3645120 0.0000000 -3.0902918 34 O -3.2073831 -0.8479907 -0.2813896 -0.8074311 -1.1674342 -0.1527306 -0.0927714 -0.0559461 -1.0276076 35 O -1.7921792 0.0795068 -0.1475433 0.1687105 -1.6756220 -0.5989928 -0.1318724 -0.6703005 -1.5375927 36 O -2.3387812 -0.5104140 -0.4003377 -0.4309375 -1.2517240 -0.1654654 -0.4908897 -0.3070967 -1.2463206 37 O -1.1916752 0.0000000 0.4040656 -0.0000000 -0.9525873 0.0000000 0.3645120 0.0000000 -3.0902918 38 O -1.7921792 -0.0795068 -0.1475433 -0.1687105 -1.6756220 0.5989928 -0.1318724 0.6703005 -1.5375927 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 11.038 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.285 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 13.637 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 14.358 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.829 ( 0.000 0.000 0.000) 0.000 14.963 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.371 ( 0.000 0.000 0.000) 0.000 15.435 ( 0.000 0.000 0.000) 0.000 16.711 ( 0.000 0.000 0.000) 0.000 16.723 ( 0.000 0.000 0.000) 0.000 16.742 ( 0.000 0.000 0.000) 0.000 16.776 ( 0.000 0.000 0.000) 0.000 17.004 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.065 ( 0.000 0.000 0.000) 0.000 17.252 ( 0.000 0.000 0.000) 0.000 19.647 ( 0.000 0.000 0.000) 0.000 19.744 ( 0.000 0.000 0.000) 0.000 21.529 ( 0.000 0.000 0.000) 0.000 21.645 ( 0.000 0.000 0.000) 0.000 23.037 ( 0.000 0.000 0.000) 0.000 23.316 ( 0.000 0.000 0.000) 0.000 27.762 ( 0.000 0.000 0.000) 0.000 28.230 ( 0.000 0.000 0.000) 0.000 29.246 ( 0.000 0.000 0.000) 0.000 29.472 ( 0.000 0.000 0.000) 0.000 29.886 ( 0.000 0.000 0.000) 0.000 30.115 ( 0.000 0.000 0.000) 0.000 30.808 ( 0.000 0.000 0.000) 0.000 31.028 ( 0.000 0.000 0.000) 0.000 31.204 ( 0.000 0.000 0.000) 0.000 31.236 ( 0.000 0.000 0.000) 0.000 31.897 ( 0.000 0.000 0.000) 0.000 31.961 ( 0.000 0.000 0.000) 0.000 32.114 ( 0.000 0.000 0.000) 0.000 32.280 ( 0.000 0.000 0.000) 0.000 32.292 ( 0.000 0.000 0.000) 0.000 32.328 ( 0.000 0.000 0.000) 0.000 32.343 ( 0.000 0.000 0.000) 0.000 32.472 ( 0.000 0.000 0.000) 0.000 34.357 ( 0.000 0.000 0.000) 0.000 34.483 ( 0.000 0.000 0.000) 0.000 34.776 ( 0.000 0.000 0.000) 0.000 35.463 ( 0.000 0.000 0.000) 0.000 35.734 ( 0.000 0.000 0.000) 0.000 35.888 ( 0.000 0.000 0.000) 0.000 35.944 ( 0.000 0.000 0.000) 0.000 37.821 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 11.240 -22.807 3.073) 25.612 0.595 ( 30.728 -16.364 5.936) 35.316 0.794 ( 13.481 -35.784 5.469) 38.629 1.829 ( -2.480 -1.139 -8.526) 8.952 2.020 ( 1.419 -7.942 -2.210) 8.365 2.529 ( 10.573 0.917 6.410) 12.398 2.734 ( 3.825 0.858 -0.224) 3.926 2.918 ( -1.809 2.811 0.696) 3.415 3.037 ( 4.141 -6.059 -2.409) 7.725 3.178 ( -1.199 2.805 1.090) 3.240 3.334 ( -0.331 2.539 1.050) 2.767 3.455 ( -2.064 -6.224 0.882) 6.616 3.699 ( 2.447 -0.180 2.021) 3.179 3.793 ( 2.462 -1.338 -5.524) 6.195 3.839 ( 0.538 1.827 1.382) 2.353 3.994 ( -0.020 -3.417 0.167) 3.421 4.107 ( 3.262 2.455 1.721) 4.431 4.184 ( 2.995 1.051 -5.398) 6.262 4.265 ( -1.010 0.188 2.189) 2.418 4.364 ( 0.785 -2.668 -0.845) 2.906 4.441 ( 2.365 -2.221 -0.315) 3.260 4.543 ( -2.575 2.514 0.686) 3.664 4.757 ( -0.990 -3.594 3.410) 5.052 4.782 ( -1.458 -0.333 -1.896) 2.415 4.817 ( 2.193 0.696 -3.352) 4.066 5.036 ( 9.294 1.380 -4.533) 10.432 5.181 ( -0.373 -4.535 4.982) 6.747 5.281 ( 3.290 0.971 2.925) 4.508 5.573 ( -1.326 0.726 2.928) 3.295 6.028 ( -5.072 6.846 0.226) 8.524 6.171 ( -11.716 1.433 0.087) 11.804 6.288 ( -0.378 0.605 -2.998) 3.082 6.516 ( -24.873 -12.333 -11.708) 30.130 6.634 ( -2.805 -0.613 -2.436) 3.765 7.379 ( -1.012 2.439 -1.570) 3.072 7.428 ( 0.819 3.285 2.972) 4.505 7.554 ( -0.996 -2.255 -10.834) 11.111 7.683 ( -0.264 -4.176 12.124) 12.825 7.883 ( -2.898 -0.561 10.009) 10.435 8.162 ( -13.129 -0.450 -0.402) 13.143 8.510 ( -3.737 2.417 -1.229) 4.618 8.554 ( -1.788 -0.406 1.419) 2.319 8.706 ( 3.321 -1.573 1.617) 4.015 8.847 ( 1.647 3.497 5.788) 6.960 9.025 ( 3.683 2.835 0.029) 4.648 9.090 ( -0.950 -0.052 1.512) 1.786 9.605 ( -3.695 6.508 -0.518) 7.501 9.828 ( -2.812 3.172 -1.393) 4.462 10.093 ( -5.096 0.062 2.947) 5.887 10.194 ( 2.075 -0.160 -2.584) 3.318 10.214 ( -0.015 -0.933 -1.085) 1.431 10.497 ( -3.461 -2.914 -0.496) 4.551 10.829 ( 1.831 2.069 0.877) 2.899 10.966 ( -8.477 -0.634 4.088) 9.433 11.015 ( 7.212 -3.282 4.032) 8.890 11.154 ( 11.750 -1.750 -4.833) 12.825 12.241 ( -2.542 3.255 0.581) 4.171 12.300 ( -3.549 2.671 0.140) 4.444 12.947 ( -1.683 4.989 -1.469) 5.466 13.081 ( -0.853 0.540 -3.731) 3.865 13.130 ( 0.428 2.822 5.545) 6.237 13.283 ( -0.265 -0.191 -2.160) 2.185 13.563 ( -2.109 -2.306 -0.035) 3.125 13.682 ( -0.176 -1.352 1.287) 1.875 13.763 ( 13.233 8.571 -12.397) 20.057 14.041 ( 2.376 -1.285 3.336) 4.293 14.330 ( 0.827 -2.950 0.295) 3.078 14.464 ( 0.251 -6.377 -3.299) 7.184 14.830 ( 4.194 0.703 -0.013) 4.253 14.964 ( 2.963 -0.241 2.984) 4.212 15.068 ( 18.459 4.105 -0.471) 18.916 15.367 ( 13.897 6.751 0.817) 15.472 15.434 ( 35.277 15.167 -4.094) 38.617 15.468 ( 6.478 0.301 2.179) 6.841 16.623 ( -3.303 5.239 0.389) 6.205 16.723 ( -0.755 -0.232 0.840) 1.152 16.769 ( 2.285 -0.759 0.352) 2.434 16.949 ( -4.499 -4.605 1.875) 6.705 17.011 ( 2.939 -1.311 -3.417) 4.694 17.055 ( 2.868 0.346 -8.400) 8.883 17.087 ( 0.686 -0.649 3.682) 3.801 17.289 ( -2.042 -1.448 -0.490) 2.550 19.651 ( 0.371 -0.312 0.134) 0.503 19.846 ( -0.120 -2.339 -0.784) 2.470 21.517 ( 0.533 3.459 -0.981) 3.634 21.629 ( -0.363 1.770 0.150) 1.813 23.128 ( -10.329 -0.793 -1.926) 10.537 23.335 ( -1.858 -2.532 -0.617) 3.201 27.815 ( 11.732 3.514 -15.548) 19.792 28.213 ( -0.158 2.488 2.957) 3.868 29.347 ( 9.867 4.310 10.815) 15.261 29.569 ( 3.288 -0.479 0.199) 3.329 29.881 ( -0.297 0.752 1.262) 1.498 30.094 ( -0.001 2.101 -0.375) 2.134 30.842 ( 2.398 -2.072 -1.317) 3.432 31.145 ( 0.074 3.502 0.409) 3.526 31.320 ( -0.788 -6.271 1.522) 6.501 31.600 ( -12.732 -6.381 -7.433) 16.065 31.889 ( -6.701 -3.633 -4.535) 8.870 32.054 ( -4.919 -0.591 -4.643) 6.790 32.182 ( -4.213 -5.072 2.215) 6.956 32.290 ( 0.471 -2.201 -0.842) 2.403 32.327 ( -2.001 -1.996 -2.410) 3.714 32.366 ( 0.658 -2.129 0.012) 2.229 32.492 ( 1.789 -1.451 -0.104) 2.306 33.417 ( 18.746 11.161 -9.156) 23.661 34.347 ( 0.217 0.448 0.022) 0.498 34.547 ( -1.480 -7.352 -1.119) 7.582 34.761 ( -5.170 2.378 15.736) 16.734 35.473 ( 3.765 1.205 1.637) 4.279 35.777 ( 5.330 5.415 2.997) 8.168 35.922 ( 5.976 -0.187 -0.248) 5.984 36.971 ( -5.952 8.925 20.111) 22.793 37.720 ( 1.865 11.866 -0.457) 12.020 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 9.719 -19.870 0.539) 22.126 1.140 ( 29.844 -11.532 7.062) 32.765 1.433 ( 2.116 -30.193 2.018) 30.335 1.874 ( 4.327 -5.966 -7.126) 10.251 2.211 ( 3.980 -11.211 -2.900) 12.245 2.630 ( 5.754 -0.705 6.441) 8.666 2.728 ( 1.332 2.172 -1.283) 2.853 2.875 ( 3.550 2.388 -2.114) 4.772 3.114 ( -0.875 0.341 -1.518) 1.784 3.173 ( -1.189 -1.411 2.435) 3.055 3.288 ( -0.000 2.359 5.560) 6.040 3.518 ( -0.748 -3.675 1.357) 3.988 3.738 ( 2.378 -0.233 2.402) 3.388 3.813 ( 3.915 -1.618 -1.619) 4.535 3.906 ( 3.910 -3.919 0.005) 5.536 4.066 ( 0.649 0.575 3.724) 3.824 4.096 ( -0.492 -6.946 -5.884) 9.117 4.191 ( 4.745 -0.335 -5.601) 7.349 4.258 ( -2.794 0.028 2.006) 3.439 4.418 ( 0.098 -2.846 -1.521) 3.228 4.474 ( -2.360 -0.288 0.239) 2.389 4.544 ( 2.953 -3.363 -2.523) 5.138 4.745 ( -4.170 -2.408 4.081) 6.312 4.795 ( 3.624 1.089 -2.196) 4.375 4.868 ( -0.485 -3.823 -1.788) 4.248 5.049 ( 2.140 2.162 -5.162) 5.992 5.285 ( -1.201 -6.212 2.062) 6.655 5.299 ( 4.676 3.466 3.297) 6.690 5.571 ( 1.239 0.700 3.903) 4.154 5.860 ( -8.179 3.801 1.304) 9.113 6.017 ( -11.783 3.774 3.289) 12.803 6.206 ( -5.774 4.208 -4.482) 8.434 6.409 ( -10.240 1.578 -7.331) 12.691 6.610 ( -2.027 0.077 -0.346) 2.058 7.317 ( -0.871 1.165 -4.210) 4.454 7.409 ( 1.292 2.958 5.844) 6.677 7.565 ( -1.250 -4.098 -9.438) 10.365 7.754 ( 3.100 -0.077 0.446) 3.133 7.938 ( -6.401 -4.466 16.187) 17.970 8.027 ( -4.809 1.879 -5.025) 7.204 8.379 ( -4.162 7.903 -1.740) 9.099 8.576 ( -5.267 -4.903 1.140) 7.285 8.742 ( 7.962 4.912 4.838) 10.532 8.822 ( 0.843 1.668 1.051) 2.144 9.019 ( 6.137 3.355 -0.336) 7.003 9.071 ( 0.378 2.772 1.568) 3.207 9.449 ( -3.062 7.366 -0.381) 7.986 9.703 ( -5.078 6.398 -1.510) 8.307 10.018 ( -7.737 1.912 2.067) 8.233 10.188 ( -3.018 -0.202 -0.132) 3.027 10.226 ( 1.018 0.389 -3.213) 3.393 10.526 ( 0.494 -2.024 0.051) 2.084 10.831 ( 1.668 -0.231 -1.468) 2.233 10.920 ( -6.762 -1.381 4.356) 8.161 11.169 ( 7.593 -4.417 4.037) 9.667 11.294 ( 11.634 -3.361 -4.753) 13.010 12.139 ( -4.089 4.526 0.815) 6.154 12.199 ( -4.936 4.079 -0.539) 6.426 12.825 ( -3.100 5.214 -2.364) 6.510 13.022 ( -3.604 3.388 1.618) 5.204 13.144 ( 5.115 0.872 2.795) 5.894 13.279 ( 0.324 -0.332 -3.086) 3.121 13.577 ( 0.626 -0.403 -0.777) 1.076 13.696 ( -3.307 -0.910 5.015) 6.075 13.717 ( 4.642 2.861 -7.996) 9.679 14.056 ( -0.270 1.355 2.820) 3.140 14.392 ( 1.545 -3.027 -0.486) 3.433 14.566 ( 1.698 -3.144 -0.479) 3.605 14.902 ( 2.222 -2.095 -0.940) 3.195 15.026 ( 7.430 -4.167 2.204) 8.799 15.199 ( 7.665 -4.675 -2.125) 9.226 15.421 ( 10.896 1.091 -0.617) 10.968 15.517 ( 20.346 5.410 -3.244) 21.301 15.549 ( 7.349 -0.837 3.209) 8.063 16.522 ( -2.926 3.112 1.761) 4.621 16.719 ( -1.317 -0.073 1.018) 1.666 16.814 ( 1.854 -2.088 -0.024) 2.793 16.945 ( -3.390 -0.210 2.338) 4.123 17.060 ( 4.756 0.070 -7.989) 9.298 17.082 ( 1.001 -3.818 -3.271) 5.126 17.116 ( -0.610 -1.586 3.784) 4.148 17.285 ( -2.344 -0.545 0.379) 2.436 19.667 ( 0.974 -0.722 0.268) 1.241 19.896 ( 3.542 -1.637 -0.004) 3.903 21.436 ( -2.749 4.590 -0.711) 5.397 21.580 ( -1.376 3.092 0.449) 3.415 23.038 ( -7.263 0.558 -0.936) 7.344 23.349 ( -2.813 -2.031 -0.449) 3.499 27.827 ( 4.662 0.481 -6.043) 7.647 28.162 ( -0.681 4.314 3.669) 5.704 29.418 ( 5.480 -0.772 6.391) 8.454 29.626 ( 3.711 -2.589 -2.790) 5.316 29.858 ( -0.841 1.947 1.263) 2.468 30.057 ( 0.884 2.299 -0.804) 2.591 30.908 ( 2.118 -3.382 -1.508) 4.266 31.103 ( 0.124 1.950 0.955) 2.175 31.411 ( -3.173 -5.669 2.977) 7.146 31.583 ( -1.819 -1.900 -1.403) 2.981 31.865 ( -6.468 -2.719 -5.523) 8.929 32.000 ( -1.330 2.103 -3.487) 4.284 32.181 ( -2.084 1.408 3.457) 4.275 32.303 ( -3.258 -0.182 -1.922) 3.787 32.396 ( -1.717 -8.180 -1.109) 8.431 32.421 ( 2.489 -3.053 -0.909) 4.043 32.550 ( 5.151 -1.109 0.769) 5.324 33.370 ( 10.051 8.214 -4.437) 13.718 34.362 ( 1.025 -1.530 0.057) 1.843 34.659 ( -4.074 -6.211 1.683) 7.616 34.722 ( -2.726 -1.376 4.238) 5.223 35.501 ( 6.891 2.559 3.679) 8.220 35.742 ( 2.113 3.387 0.294) 4.003 35.991 ( 6.358 -0.949 -0.556) 6.453 36.743 ( -14.598 11.311 7.253) 19.841 37.519 ( 5.026 14.251 -0.489) 15.119 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 7.504 -15.416 -1.697) 17.229 1.544 ( 17.615 -6.394 7.056) 20.024 1.875 ( 3.562 -20.507 -1.097) 20.843 2.032 ( 3.661 -9.102 -4.280) 10.703 2.365 ( 4.404 -1.447 0.401) 4.653 2.624 ( -5.320 1.688 -1.878) 5.889 2.786 ( -0.370 5.268 0.137) 5.283 2.826 ( 4.091 -5.839 -1.335) 7.254 3.093 ( -0.434 1.269 3.023) 3.307 3.164 ( -0.291 0.076 -0.786) 0.842 3.329 ( 4.274 -2.748 7.924) 9.414 3.581 ( -0.670 -3.067 2.585) 4.067 3.727 ( -2.340 2.639 -0.128) 3.529 3.882 ( 1.967 0.346 1.454) 2.470 3.966 ( -2.026 -1.901 -1.493) 3.154 4.102 ( 9.528 -2.384 3.487) 10.422 4.190 ( -3.259 0.143 4.516) 5.570 4.253 ( 3.329 -4.437 -8.348) 10.023 4.333 ( 11.644 -10.166 -12.054) 19.601 4.425 ( 0.020 -0.465 -2.855) 2.892 4.497 ( -1.617 -3.590 3.195) 5.071 4.614 ( 2.666 -2.025 -0.578) 3.397 4.757 ( -1.453 2.407 6.230) 6.835 4.819 ( 0.966 -2.687 -0.203) 2.863 4.934 ( -2.015 -7.075 -1.932) 7.606 4.992 ( -1.550 2.486 -2.379) 3.774 5.202 ( -1.625 10.269 -0.662) 10.417 5.365 ( -0.706 -3.869 -1.897) 4.366 5.585 ( 0.575 0.835 3.637) 3.776 5.744 ( -12.416 2.611 2.370) 12.907 5.909 ( -2.924 0.042 5.390) 6.133 6.057 ( -5.240 3.744 -3.152) 7.170 6.251 ( -3.908 5.936 -5.987) 9.293 6.588 ( -1.586 0.767 0.276) 1.783 7.316 ( 0.232 -2.537 -3.379) 4.232 7.391 ( -0.242 0.852 4.221) 4.313 7.607 ( 0.459 -4.002 -7.348) 8.380 7.773 ( 3.054 0.633 -1.882) 3.642 7.818 ( -7.779 7.099 5.684) 11.967 8.152 ( 0.224 -11.334 5.535) 12.615 8.179 ( -4.069 9.985 -1.712) 10.917 8.602 ( -5.866 -4.109 0.074) 7.162 8.709 ( 3.607 7.412 2.550) 8.629 8.832 ( 3.843 -0.252 0.239) 3.859 9.026 ( 5.024 3.201 0.998) 6.041 9.027 ( 4.006 3.607 -0.003) 5.390 9.313 ( -2.904 5.279 0.034) 6.025 9.526 ( -6.708 7.175 -0.484) 9.834 9.916 ( -6.226 2.246 0.160) 6.621 10.149 ( -6.241 -0.940 -1.057) 6.400 10.198 ( 1.908 3.539 -0.559) 4.060 10.556 ( 0.636 -0.571 -0.055) 0.856 10.855 ( 2.508 -0.680 -1.789) 3.155 10.914 ( -4.130 -2.486 3.428) 5.915 11.302 ( 5.416 -2.543 2.043) 6.322 11.450 ( 9.425 -4.048 -2.270) 10.506 12.046 ( -1.987 3.123 1.333) 3.934 12.090 ( -4.205 2.863 -1.530) 5.313 12.720 ( -2.560 2.994 -1.856) 4.354 12.922 ( -4.668 4.349 2.253) 6.766 13.174 ( 2.307 1.046 1.449) 2.918 13.293 ( 3.275 -0.635 -4.127) 5.307 13.587 ( 2.384 0.680 0.442) 2.518 13.680 ( -5.060 -0.519 4.979) 7.118 13.714 ( 2.387 -0.280 -4.762) 5.334 14.031 ( -0.234 1.593 1.353) 2.103 14.454 ( 1.231 -2.698 -0.228) 2.975 14.598 ( 1.149 -0.112 -0.406) 1.223 14.890 ( -2.897 0.720 -0.938) 3.129 15.192 ( 1.699 -4.958 2.506) 5.810 15.375 ( 11.236 -6.232 -0.772) 12.872 15.517 ( 8.366 -1.469 -2.160) 8.765 15.606 ( 12.901 2.238 -2.238) 13.284 15.644 ( 5.690 -1.906 2.932) 6.679 16.485 ( -1.447 -0.437 2.566) 2.978 16.703 ( -1.467 0.833 0.150) 1.694 16.855 ( -0.923 -1.148 0.912) 1.733 16.936 ( 0.248 -0.982 0.715) 1.239 17.080 ( 2.214 0.880 -1.173) 2.656 17.113 ( 0.744 -1.691 -5.620) 5.916 17.160 ( -0.503 -2.819 0.888) 2.998 17.269 ( -1.309 0.380 0.667) 1.517 19.695 ( 1.453 -1.039 0.298) 1.811 19.960 ( 3.970 -1.422 -0.038) 4.217 21.320 ( -3.806 4.759 -0.615) 6.125 21.512 ( -1.900 3.104 0.577) 3.685 22.977 ( -4.243 -0.016 -0.605) 4.286 23.351 ( -2.364 -1.352 -0.255) 2.735 27.853 ( 2.265 -1.163 -2.600) 3.639 28.085 ( -1.012 4.685 2.567) 5.437 29.504 ( 3.231 -2.307 4.764) 6.201 29.700 ( 2.883 -3.081 -2.271) 4.792 29.808 ( -1.112 2.810 -0.695) 3.101 30.036 ( 1.909 1.529 -0.581) 2.514 30.977 ( 1.731 -3.064 -1.430) 3.799 31.084 ( -0.123 0.941 1.485) 1.762 31.468 ( -4.531 -4.957 3.202) 7.440 31.608 ( 1.946 0.120 0.943) 2.166 31.829 ( -4.635 -1.803 -5.499) 7.415 31.948 ( -0.045 1.932 -2.709) 3.328 32.142 ( -1.005 2.331 3.518) 4.338 32.250 ( -6.847 -0.412 -2.922) 7.456 32.482 ( 1.539 -3.428 -1.157) 3.932 32.517 ( 0.261 -4.986 -0.008) 4.993 32.621 ( 6.334 -0.349 1.571) 6.535 33.316 ( 5.714 5.787 -2.724) 8.577 34.412 ( 1.601 -2.600 0.401) 3.079 34.633 ( -2.995 2.252 4.474) 5.836 34.829 ( -3.247 -10.318 -3.365) 11.328 35.539 ( 9.240 3.654 5.423) 11.320 35.708 ( 1.286 2.558 -0.361) 2.886 36.057 ( 1.814 -1.635 0.169) 2.448 36.408 ( -12.383 12.577 0.731) 17.665 37.365 ( 4.491 9.448 -0.160) 10.463 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 4.136 -6.064 -1.496) 7.491 1.730 ( 3.228 -3.099 3.294) 5.556 2.158 ( 2.531 -6.682 0.440) 7.159 2.181 ( 3.773 -6.730 -3.155) 8.336 2.377 ( -0.267 1.720 -0.383) 1.782 2.566 ( 1.210 1.668 0.823) 2.219 2.593 ( -4.754 6.243 -0.146) 7.849 3.022 ( 2.049 -4.412 -0.227) 4.870 3.056 ( -0.472 2.164 -2.118) 3.065 3.221 ( 1.713 -9.178 4.625) 10.419 3.410 ( -0.465 3.324 0.165) 3.360 3.617 ( -2.211 -0.137 0.674) 2.315 3.662 ( 4.446 -0.829 4.413) 6.319 3.811 ( -5.921 4.855 -2.801) 8.154 3.942 ( -0.950 0.525 -1.196) 1.615 4.194 ( 0.262 -0.636 2.294) 2.395 4.293 ( 5.402 -6.115 0.040) 8.159 4.361 ( 8.632 -2.890 -1.188) 9.180 4.423 ( 1.364 -1.807 -4.565) 5.096 4.504 ( 1.472 -0.706 1.453) 2.186 4.555 ( 3.337 0.978 -3.387) 4.855 4.616 ( -4.203 0.908 0.309) 4.311 4.730 ( -0.876 -1.632 4.523) 4.887 4.916 ( -2.725 -1.868 -2.535) 4.164 4.949 ( 1.458 -3.394 -0.723) 3.764 5.007 ( -0.017 2.570 -0.254) 2.583 5.055 ( 2.077 -4.756 0.507) 5.214 5.303 ( -7.708 9.359 -2.221) 12.326 5.550 ( -4.142 -2.353 2.955) 5.605 5.643 ( 0.087 3.319 0.777) 3.410 5.878 ( -2.297 0.847 -1.183) 2.719 6.040 ( 1.226 -1.250 3.099) 3.559 6.138 ( -1.012 2.520 -3.335) 4.301 6.558 ( -1.174 0.811 0.129) 1.433 7.345 ( 0.780 -0.122 -0.179) 0.809 7.440 ( -0.471 -6.204 0.520) 6.243 7.620 ( 1.750 7.158 -2.080) 7.657 7.671 ( -3.819 -1.332 -0.651) 4.097 7.803 ( 1.020 -1.337 1.450) 2.220 7.993 ( -2.404 6.627 -0.919) 7.109 8.366 ( -0.093 -11.732 4.510) 12.570 8.571 ( -0.075 8.325 -2.460) 8.681 8.618 ( -1.233 0.380 0.501) 1.384 8.884 ( 1.932 -1.678 -0.301) 2.577 9.002 ( 2.194 2.301 0.020) 3.179 9.044 ( 3.136 0.849 1.132) 3.441 9.236 ( -0.288 1.504 -0.214) 1.547 9.362 ( -5.125 4.310 0.177) 6.699 9.845 ( -2.404 0.983 -0.231) 2.607 10.109 ( -3.360 -0.483 -0.617) 3.450 10.162 ( 1.165 2.025 0.245) 2.349 10.559 ( -0.022 0.121 -0.000) 0.123 10.881 ( 1.481 -0.310 -0.889) 1.755 10.931 ( -1.446 -1.439 1.360) 2.451 11.365 ( 1.862 -0.600 0.355) 1.988 11.564 ( 3.761 -1.784 -0.300) 4.173 12.008 ( 0.269 1.116 1.491) 1.882 12.028 ( -1.950 0.539 -1.714) 2.651 12.673 ( -0.580 0.499 -0.869) 1.158 12.824 ( -2.921 2.573 1.023) 4.025 13.171 ( 0.316 0.584 0.253) 0.711 13.322 ( 1.998 -0.342 -2.010) 2.855 13.600 ( 1.324 0.514 1.457) 2.035 13.658 ( -2.477 -0.400 1.332) 2.841 13.730 ( 0.955 -0.433 -1.586) 1.901 14.014 ( 0.012 0.610 0.402) 0.731 14.495 ( 0.080 -1.286 0.106) 1.293 14.604 ( 1.015 0.281 -0.343) 1.107 14.852 ( -1.471 0.640 -0.338) 1.639 15.246 ( -0.493 -1.487 0.417) 1.621 15.527 ( 4.083 -1.966 0.803) 4.603 15.592 ( 2.972 -1.110 -1.250) 3.410 15.662 ( 4.288 0.523 -0.635) 4.366 15.727 ( 3.323 -1.478 0.912) 3.750 16.515 ( 0.374 -2.056 1.971) 2.873 16.662 ( -1.308 1.799 -0.994) 2.436 16.847 ( -1.354 0.024 0.735) 1.540 16.985 ( 2.548 -2.112 0.251) 3.319 17.052 ( -1.906 1.730 -0.419) 2.608 17.137 ( 1.294 -0.759 -2.283) 2.731 17.191 ( -0.299 -1.114 -0.009) 1.153 17.257 ( -0.247 0.344 0.452) 0.620 19.722 ( 0.802 -0.577 0.135) 0.997 20.006 ( 1.730 -0.621 -0.060) 1.839 21.228 ( -1.865 2.143 -0.247) 2.852 21.459 ( -0.931 1.345 0.266) 1.657 22.952 ( -1.335 -0.133 -0.219) 1.360 23.350 ( -0.903 -0.494 -0.083) 1.033 27.889 ( 0.956 -1.509 -0.895) 1.998 28.015 ( -0.708 2.811 1.028) 3.075 29.572 ( 1.328 -1.539 2.513) 3.233 29.753 ( -0.684 1.777 -1.526) 2.440 29.755 ( 0.841 -1.553 -0.570) 1.856 30.033 ( 1.209 0.644 -0.232) 1.390 31.026 ( 0.766 -1.404 -0.641) 1.723 31.075 ( -0.148 0.386 0.817) 0.916 31.523 ( -3.908 -5.395 3.272) 7.422 31.588 ( 2.765 4.634 -1.640) 5.640 31.824 ( -1.749 -2.069 -2.032) 3.387 31.920 ( 0.542 1.093 -1.025) 1.593 32.113 ( 0.148 1.461 1.962) 2.450 32.192 ( -3.872 -0.257 -1.695) 4.235 32.539 ( 1.255 -1.958 -0.953) 2.514 32.562 ( -0.430 -0.672 0.512) 0.948 32.681 ( 2.723 -0.625 0.834) 2.915 33.278 ( 1.812 2.174 -1.044) 3.017 34.466 ( 1.012 -1.657 0.321) 1.968 34.588 ( -1.232 1.415 1.418) 2.352 34.935 ( -1.826 -5.277 -2.083) 5.960 35.580 ( 6.594 2.413 3.619) 7.900 35.684 ( 0.339 0.946 -0.144) 1.016 36.036 ( -7.572 0.727 0.385) 7.617 36.200 ( 1.131 4.048 -1.363) 4.418 37.288 ( 1.585 3.240 -0.031) 3.607 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 16.632 -0.000 4.930) 17.347 0.459 ( 21.567 -0.000 5.498) 22.257 1.056 ( 49.026 -0.000 13.864) 50.949 1.774 ( 1.676 -0.000 -10.604) 10.735 1.952 ( 1.697 -0.000 -3.229) 3.648 2.698 ( 13.930 -0.000 8.763) 16.457 2.804 ( 7.453 -0.000 -1.146) 7.541 2.953 ( -0.776 0.000 -0.983) 1.253 3.030 ( 1.043 -0.000 -6.219) 6.306 3.258 ( 0.285 -0.000 2.243) 2.261 3.301 ( 2.441 -0.000 2.305) 3.357 3.405 ( 0.896 -0.000 3.379) 3.496 3.706 ( 1.640 -0.000 2.068) 2.640 3.795 ( 3.766 -0.000 -8.380) 9.188 3.855 ( -1.394 0.000 -0.962) 1.693 3.963 ( -0.526 0.000 0.872) 1.018 4.161 ( 2.444 -0.000 -3.869) 4.576 4.168 ( -8.382 0.000 4.276) 9.409 4.268 ( 0.294 -0.000 -11.679) 11.682 4.332 ( 3.460 -0.000 -0.266) 3.470 4.428 ( -0.914 0.000 2.319) 2.493 4.555 ( -7.485 0.000 2.878) 8.019 4.727 ( 6.161 -0.000 -1.475) 6.335 4.804 ( -1.019 0.000 -1.273) 1.630 4.948 ( 4.556 -0.000 -5.340) 7.019 5.151 ( 0.605 -0.000 2.117) 2.202 5.238 ( -0.760 0.000 -2.254) 2.379 5.386 ( 3.799 -0.000 -1.887) 4.242 5.588 ( 3.212 -0.000 0.285) 3.225 5.679 ( -2.573 0.000 3.284) 4.172 6.051 ( -6.692 0.000 0.910) 6.754 6.107 ( -13.865 0.000 2.630) 14.112 6.279 ( -4.025 0.000 -2.501) 4.739 6.573 ( -7.529 0.000 -1.361) 7.651 7.397 ( -5.363 0.000 -7.207) 8.983 7.412 ( 0.529 -0.000 2.702) 2.753 7.572 ( 1.696 -0.000 0.613) 1.803 7.649 ( 0.219 -0.000 12.234) 12.236 7.875 ( -5.586 0.000 11.645) 12.916 8.063 ( -4.617 0.000 0.115) 4.618 8.462 ( -6.325 0.000 1.005) 6.404 8.569 ( -1.116 0.000 -0.384) 1.180 8.712 ( 7.158 -0.000 4.459) 8.433 8.875 ( -1.796 0.000 3.826) 4.226 9.086 ( 4.739 -0.000 0.296) 4.748 9.107 ( 0.716 -0.000 3.131) 3.212 9.610 ( -5.278 0.000 -0.697) 5.324 9.824 ( -3.833 0.000 -1.598) 4.153 10.065 ( -5.058 0.000 3.738) 6.289 10.155 ( -5.798 0.000 -2.468) 6.301 10.201 ( 1.645 -0.000 -3.690) 4.040 10.468 ( 2.654 -0.000 -0.011) 2.654 10.844 ( -2.559 0.000 1.466) 2.949 10.900 ( -6.448 0.000 3.595) 7.383 11.095 ( 9.893 -0.000 4.528) 10.880 11.235 ( 11.447 -0.000 -4.783) 12.406 12.236 ( -4.947 0.000 2.026) 5.345 12.272 ( -6.597 0.000 -0.216) 6.601 13.017 ( 1.729 -0.000 0.325) 1.760 13.030 ( -4.251 0.000 -4.332) 6.069 13.148 ( -3.395 0.000 5.725) 6.656 13.262 ( -1.807 0.000 -2.858) 3.381 13.550 ( 2.685 -0.000 -1.710) 3.183 13.685 ( 1.155 -0.000 2.360) 2.627 13.873 ( -0.584 0.000 -13.336) 13.348 14.089 ( 5.985 -0.000 7.277) 9.422 14.413 ( 12.152 -0.000 -2.707) 12.450 14.442 ( 7.928 -0.000 -1.072) 8.000 14.893 ( 6.304 -0.000 2.242) 6.691 14.930 ( -1.008 0.000 -2.834) 3.008 15.131 ( 5.087 -0.000 -4.843) 7.023 15.449 ( 7.957 -0.000 -1.369) 8.074 15.503 ( 5.045 -0.000 4.925) 7.050 16.429 ( -4.490 0.000 -9.750) 10.734 16.651 ( -7.759 0.000 4.104) 8.778 16.696 ( 0.083 -0.000 -4.577) 4.577 16.785 ( 2.084 -0.000 -5.200) 5.602 16.830 ( 1.131 -0.000 0.585) 1.274 17.013 ( -0.089 0.000 1.814) 1.817 17.078 ( 10.492 -0.000 -30.969) 32.698 17.114 ( 2.285 -0.000 2.098) 3.102 17.225 ( -2.902 0.000 1.061) 3.090 19.694 ( 5.584 -0.000 -2.151) 5.984 19.803 ( 5.709 -0.000 1.044) 5.803 21.558 ( -3.364 0.000 -2.919) 4.454 21.620 ( -2.802 0.000 0.101) 2.804 22.964 ( -7.346 0.000 0.833) 7.393 23.279 ( -3.340 0.000 -1.343) 3.600 27.924 ( 8.514 -0.000 -31.537) 32.666 28.238 ( -1.519 0.000 6.300) 6.481 29.530 ( 7.497 -0.000 -4.501) 8.744 29.760 ( -3.422 0.000 14.973) 15.359 29.896 ( 0.394 -0.000 1.458) 1.510 30.090 ( -2.318 0.000 -0.941) 2.502 30.934 ( 5.560 -0.000 -11.305) 12.598 31.032 ( 0.211 -0.000 0.423) 0.472 31.205 ( 0.111 -0.000 0.079) 0.136 31.238 ( -0.765 0.000 2.620) 2.730 31.929 ( -2.762 0.000 -1.376) 3.086 31.931 ( 3.198 -0.000 0.295) 3.212 32.141 ( 1.401 -0.000 0.418) 1.462 32.248 ( -3.581 0.000 0.007) 3.581 32.337 ( 3.600 -0.000 -0.090) 3.601 32.354 ( 1.444 -0.000 0.462) 1.516 32.543 ( 6.548 -0.000 -2.648) 7.063 33.606 ( 5.277 -0.000 -23.748) 24.327 34.366 ( 1.639 -0.000 -2.354) 2.868 34.452 ( -2.486 0.000 -1.419) 2.862 34.773 ( -10.765 0.000 25.495) 27.675 35.493 ( 0.432 -0.000 4.763) 4.783 35.932 ( 0.262 -0.000 -1.599) 1.620 35.951 ( 7.699 -0.000 -4.513) 8.924 37.212 ( -15.654 0.000 38.714) 41.759 37.753 ( -6.324 0.000 -1.025) 6.407 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 16.266 -13.980 -1.002) 21.471 0.896 ( 7.105 -30.019 5.548) 31.343 1.507 ( 38.448 2.317 11.683) 40.250 1.831 ( 7.835 -3.986 -4.787) 10.010 2.060 ( 6.215 -9.478 -4.510) 12.199 2.742 ( 0.453 6.880 2.687) 7.399 2.839 ( 12.543 3.025 -1.618) 13.004 2.973 ( 3.354 1.795 -0.035) 3.804 3.041 ( -0.705 -4.206 -5.115) 6.660 3.191 ( 1.721 3.924 5.274) 6.795 3.357 ( 1.706 1.583 3.905) 4.546 3.460 ( -0.169 -3.578 5.326) 6.418 3.723 ( -1.612 0.104 0.416) 1.668 3.827 ( -0.255 -0.471 -1.192) 1.307 3.857 ( 4.269 -5.965 -6.846) 10.034 3.988 ( 1.039 -2.349 -1.025) 2.766 4.106 ( -1.746 0.795 3.690) 4.159 4.172 ( -0.478 -2.617 -9.723) 10.080 4.272 ( 3.753 -0.587 2.037) 4.310 4.365 ( 0.532 0.244 0.165) 0.608 4.455 ( -3.918 1.247 -1.129) 4.264 4.511 ( 3.709 -4.960 0.879) 6.256 4.753 ( -0.718 3.829 0.188) 3.900 4.839 ( 5.638 -3.937 0.703) 6.912 4.877 ( 5.113 6.245 -3.653) 8.859 5.087 ( 1.089 5.197 -7.228) 8.969 5.192 ( -3.160 -2.939 3.166) 5.353 5.408 ( 6.224 1.196 3.979) 7.484 5.598 ( 1.961 -0.446 5.411) 5.772 5.831 ( -12.239 1.821 -2.153) 12.559 5.968 ( -9.901 1.994 3.538) 10.702 6.081 ( -11.411 -13.429 -8.032) 19.366 6.208 ( -8.633 -0.930 -2.820) 9.129 6.519 ( -9.270 -3.878 -0.400) 10.057 7.301 ( -5.431 1.056 -6.569) 8.589 7.452 ( -0.106 -3.102 -0.876) 3.225 7.517 ( 0.773 5.255 0.415) 5.328 7.764 ( 3.742 -4.308 5.007) 7.592 7.866 ( -4.595 -1.858 10.940) 12.010 8.009 ( -4.469 1.815 0.788) 4.887 8.405 ( -6.650 0.797 0.770) 6.741 8.507 ( -3.201 2.546 -0.364) 4.106 8.830 ( 5.680 -2.571 2.615) 6.761 8.872 ( 0.433 0.908 2.106) 2.334 9.097 ( 1.477 2.094 3.209) 4.107 9.127 ( 4.870 1.696 1.290) 5.315 9.505 ( -6.333 4.827 -0.966) 8.021 9.740 ( -5.627 4.055 -1.814) 7.169 9.993 ( -6.696 2.590 2.836) 7.719 10.100 ( -8.397 -1.802 -1.969) 8.811 10.222 ( 1.362 -1.522 -3.536) 4.084 10.515 ( 3.973 -1.231 -0.057) 4.159 10.832 ( -0.213 -0.355 -0.077) 0.421 10.867 ( -4.128 -0.598 3.822) 5.657 11.223 ( 10.802 -1.677 4.626) 11.869 11.341 ( 10.743 -1.849 -4.913) 11.957 12.159 ( -5.604 2.905 1.188) 6.423 12.192 ( -7.149 1.749 -0.264) 7.365 12.908 ( -1.370 6.955 -2.582) 7.545 13.016 ( -4.664 1.308 1.733) 5.144 13.162 ( -1.130 -2.428 4.573) 5.299 13.244 ( -1.514 -1.352 -4.262) 4.721 13.579 ( 3.309 -0.494 -2.819) 4.375 13.699 ( 0.487 0.670 3.629) 3.722 13.789 ( -0.763 3.596 -7.563) 8.409 14.127 ( 1.960 3.040 7.249) 8.101 14.489 ( 13.967 3.461 -0.532) 14.399 14.572 ( 9.940 -2.547 -1.598) 10.385 14.897 ( 0.212 0.748 -3.688) 3.769 15.004 ( 3.884 -4.381 2.668) 6.434 15.215 ( 12.705 -2.385 -5.377) 14.001 15.523 ( 10.063 0.788 -2.001) 10.291 15.584 ( 6.287 -1.119 5.784) 8.616 16.042 ( 11.693 25.865 -4.877) 28.801 16.533 ( -5.969 2.585 1.084) 6.595 16.712 ( -1.209 -0.459 1.964) 2.352 16.822 ( 1.761 0.237 0.212) 1.789 16.871 ( -2.893 -4.728 -1.619) 5.774 17.029 ( 0.091 -1.983 -0.442) 2.034 17.078 ( 5.487 0.095 -11.701) 12.924 17.130 ( 1.976 1.160 0.404) 2.326 17.229 ( -3.449 -2.495 0.405) 4.276 19.708 ( 6.167 2.641 -0.553) 6.732 19.912 ( 6.723 -2.516 0.303) 7.185 21.469 ( -5.018 3.686 -0.552) 6.251 21.588 ( -4.230 0.610 -0.318) 4.285 22.922 ( -10.058 -2.939 0.036) 10.479 23.266 ( -4.465 -2.972 -1.495) 5.568 27.880 ( 4.618 2.623 -13.292) 14.313 28.221 ( -2.393 2.297 6.645) 7.427 29.566 ( 8.578 5.657 2.613) 10.602 29.664 ( 4.811 4.334 1.913) 6.752 29.891 ( 0.340 1.373 2.100) 2.531 30.074 ( -1.860 -0.067 -1.136) 2.181 30.903 ( 4.862 0.284 -2.456) 5.455 31.152 ( 0.119 3.280 1.196) 3.494 31.280 ( -5.661 -10.969 -1.357) 12.418 31.338 ( -3.723 -13.303 -2.479) 14.034 31.842 ( -0.117 3.695 -0.052) 3.697 31.987 ( -0.937 -0.637 -2.330) 2.591 32.174 ( -0.646 -1.839 0.055) 1.949 32.207 ( -5.579 -0.433 -0.356) 5.607 32.379 ( 5.692 -1.029 1.438) 5.961 32.410 ( 4.918 -1.699 -0.381) 5.217 32.605 ( 7.244 -0.620 -1.728) 7.473 33.530 ( 2.887 5.404 -11.391) 12.934 34.362 ( 1.755 0.271 -1.828) 2.549 34.493 ( -2.710 -6.850 -2.339) 7.729 34.726 ( -7.708 1.703 14.892) 16.855 35.526 ( -2.237 -2.618 5.562) 6.541 35.884 ( 6.594 5.871 -1.313) 8.926 36.033 ( 7.920 -0.709 -4.696) 9.235 36.952 ( -7.658 19.271 17.837) 27.352 37.673 ( -6.424 3.968 -0.193) 7.553 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 11.553 -15.144 -1.924) 19.144 1.455 ( 1.508 -28.041 5.076) 28.537 1.803 ( 29.646 2.242 7.202) 30.590 1.965 ( 5.148 -4.065 -0.698) 6.596 2.304 ( 8.031 -10.728 -5.335) 14.424 2.620 ( -2.743 4.588 -1.659) 5.597 2.861 ( 4.001 4.287 -5.014) 7.715 2.932 ( 5.756 7.442 3.392) 10.001 3.079 ( -0.845 -2.508 -1.749) 3.172 3.187 ( 1.145 2.081 3.517) 4.244 3.363 ( 2.474 0.128 5.836) 6.340 3.518 ( -2.441 -3.251 6.311) 7.507 3.708 ( -3.637 -1.012 1.592) 4.097 3.833 ( -4.421 -4.011 -2.421) 6.442 3.983 ( 5.238 1.029 0.830) 5.402 4.059 ( -0.252 -7.332 -3.678) 8.207 4.167 ( 5.103 -4.184 -8.666) 10.893 4.198 ( 5.158 -3.476 1.237) 6.342 4.314 ( 4.326 -0.686 -4.383) 6.197 4.382 ( -2.623 -5.186 1.045) 5.904 4.451 ( 4.502 0.666 -0.425) 4.570 4.615 ( 3.299 -1.673 0.331) 3.714 4.742 ( 1.590 -2.299 2.648) 3.851 4.854 ( 3.720 1.099 -1.933) 4.334 4.906 ( 2.750 2.397 3.251) 4.886 4.990 ( -3.934 1.863 -2.872) 5.215 5.230 ( -4.008 -4.071 -3.234) 6.564 5.405 ( 3.691 7.727 1.183) 8.645 5.603 ( -3.767 2.293 1.576) 4.683 5.691 ( -5.066 0.524 3.067) 5.945 5.870 ( -7.081 -0.357 5.259) 8.827 6.020 ( -8.467 0.697 -3.394) 9.149 6.199 ( -6.816 -3.967 -7.735) 11.047 6.506 ( -9.105 -4.288 0.689) 10.088 7.248 ( -3.749 -2.591 -5.827) 7.398 7.439 ( -0.749 3.511 -1.107) 3.757 7.508 ( 0.439 -3.817 -1.711) 4.206 7.813 ( 2.398 1.243 0.321) 2.720 7.888 ( -3.765 4.307 6.298) 8.509 8.005 ( -0.761 -8.166 6.852) 10.687 8.277 ( -5.029 7.355 -1.206) 8.991 8.474 ( -5.394 -3.139 0.286) 6.248 8.848 ( 2.181 4.162 0.848) 4.775 8.892 ( 4.353 1.463 1.441) 4.813 9.082 ( -0.184 1.452 2.383) 2.797 9.145 ( 6.412 3.094 1.365) 7.249 9.356 ( -5.760 5.132 -0.803) 7.756 9.583 ( -6.750 6.853 -0.310) 9.624 9.891 ( -6.333 2.259 0.055) 6.724 10.046 ( -8.445 -2.175 -0.856) 8.763 10.233 ( 0.048 0.137 -3.088) 3.092 10.562 ( 2.511 -0.215 0.187) 2.527 10.856 ( -1.512 -1.851 3.769) 4.463 10.861 ( 1.148 -0.773 -1.145) 1.796 11.357 ( 9.221 -0.695 3.303) 9.819 11.468 ( 9.100 -3.230 -3.250) 10.188 12.073 ( -3.482 2.194 0.603) 4.160 12.086 ( -5.612 2.724 -0.561) 6.264 12.778 ( -0.123 6.256 -1.689) 6.481 12.928 ( -7.278 2.763 2.443) 8.160 13.177 ( -3.563 -0.643 2.138) 4.204 13.272 ( 1.684 -2.771 -4.411) 5.474 13.609 ( 3.113 -0.581 -3.074) 4.413 13.686 ( -2.053 2.451 8.214) 8.815 13.728 ( 1.532 0.948 -6.910) 7.141 14.095 ( 0.673 3.584 4.421) 5.731 14.551 ( 13.513 4.533 0.388) 14.259 14.666 ( 9.889 2.041 -2.025) 10.298 14.871 ( -1.396 0.467 -3.071) 3.406 15.113 ( 0.105 -5.214 2.133) 5.634 15.404 ( 14.219 -4.124 -0.701) 14.821 15.598 ( 10.155 1.018 -2.753) 10.571 15.680 ( 6.415 -0.858 4.649) 7.969 15.834 ( 8.095 11.260 -2.645) 14.117 16.468 ( -3.545 -0.020 2.205) 4.175 16.710 ( -0.401 0.520 2.020) 2.124 16.830 ( -1.554 -0.561 0.129) 1.657 16.906 ( -0.299 -2.810 -0.601) 2.889 17.066 ( -0.730 -2.425 -2.887) 3.840 17.110 ( 3.581 -0.782 -4.307) 5.656 17.118 ( -1.081 -0.032 0.785) 1.336 17.242 ( -1.337 -1.689 -0.693) 2.263 19.729 ( 5.687 1.689 0.090) 5.933 20.000 ( 6.917 -0.217 0.295) 6.927 21.346 ( -6.310 4.167 -0.055) 7.562 21.521 ( -4.925 1.664 -0.381) 5.213 22.885 ( -7.822 -3.267 -0.148) 8.479 23.278 ( -3.923 -3.570 -1.056) 5.408 27.860 ( 2.280 0.506 -5.396) 5.880 28.158 ( -2.436 4.265 4.816) 6.879 29.559 ( 4.591 2.864 5.862) 7.977 29.697 ( 5.080 -0.412 -2.956) 5.892 29.863 ( 1.372 3.333 -0.356) 3.621 30.062 ( 0.235 -0.008 -0.499) 0.552 30.955 ( 3.785 -1.684 -1.911) 4.563 31.116 ( 0.478 1.945 1.731) 2.647 31.352 ( -4.160 -5.162 2.338) 7.030 31.508 ( -3.750 -11.651 -2.973) 12.595 31.792 ( 0.357 2.825 -0.826) 2.965 31.953 ( -1.877 1.189 -2.767) 3.549 32.150 ( -6.695 -0.668 -2.668) 7.238 32.181 ( -0.151 0.627 2.451) 2.534 32.477 ( 4.789 -3.073 1.544) 5.896 32.485 ( 6.158 -1.170 -1.474) 6.439 32.679 ( 5.923 -0.425 0.482) 5.957 33.429 ( 0.541 5.435 -6.366) 8.387 34.393 ( 2.539 -1.876 -1.365) 3.439 34.589 ( -3.226 -7.961 -1.153) 8.667 34.672 ( -5.658 0.208 7.372) 9.296 35.557 ( -5.965 -3.561 5.346) 8.766 35.856 ( 9.533 6.691 0.089) 11.647 36.085 ( 6.711 1.583 -4.326) 8.140 36.614 ( -3.577 18.198 7.088) 19.855 37.513 ( -5.054 7.642 -0.082) 9.162 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 9.669 -11.882 -0.938) 15.348 1.794 ( 2.437 -5.872 7.480) 9.817 2.041 ( 10.901 -5.459 2.923) 12.537 2.090 ( 5.134 -6.692 -3.007) 8.955 2.414 ( 0.381 0.794 -2.496) 2.646 2.598 ( 6.023 -0.047 -6.768) 9.060 2.725 ( -1.252 9.471 -2.333) 9.835 2.973 ( 6.622 -3.473 2.143) 7.778 3.102 ( -0.764 0.763 4.225) 4.360 3.124 ( -1.895 0.493 -0.516) 2.025 3.423 ( -0.137 -1.295 3.328) 3.574 3.558 ( -4.245 -2.690 4.612) 6.821 3.707 ( 1.921 -0.656 3.231) 3.816 3.797 ( -7.683 1.563 -2.789) 8.322 3.980 ( 3.776 3.051 -0.668) 4.900 4.173 ( 0.041 -5.344 1.259) 5.490 4.191 ( 0.126 -4.740 -8.734) 9.939 4.374 ( -1.235 -3.708 -2.731) 4.767 4.394 ( 7.808 -3.963 2.434) 9.089 4.478 ( 0.079 -2.078 0.103) 2.082 4.495 ( 0.974 -6.250 0.238) 6.330 4.638 ( 1.981 2.331 -1.773) 3.536 4.775 ( 0.671 2.447 4.260) 4.958 4.852 ( 0.429 0.960 0.580) 1.201 4.931 ( 6.828 -5.116 0.059) 8.532 4.979 ( 1.004 -0.902 -0.366) 1.398 5.151 ( -1.253 6.206 -3.624) 7.295 5.336 ( -2.396 2.874 -2.340) 4.413 5.491 ( -5.060 2.062 3.816) 6.665 5.695 ( 1.946 0.609 -1.908) 2.792 5.847 ( -3.564 -1.286 1.401) 4.040 6.008 ( -1.422 -3.754 3.039) 5.035 6.137 ( -4.790 1.478 -5.143) 7.182 6.486 ( -9.038 -3.540 1.120) 9.771 7.290 ( -0.806 -6.209 -4.534) 7.730 7.385 ( -1.703 0.992 1.025) 2.221 7.581 ( 1.058 -4.965 -3.613) 6.231 7.762 ( -1.843 7.993 2.694) 8.634 7.816 ( 1.509 0.439 1.031) 1.880 8.088 ( -3.805 8.837 -0.988) 9.672 8.193 ( 0.144 -10.812 6.578) 12.657 8.493 ( -5.741 -5.176 -0.055) 7.731 8.758 ( 2.290 9.405 -0.734) 9.707 8.903 ( 2.609 0.829 -0.204) 2.745 9.062 ( 0.384 1.893 0.850) 2.110 9.134 ( 2.466 4.311 0.884) 5.045 9.242 ( -3.716 2.776 -0.585) 4.675 9.414 ( -3.596 6.154 1.850) 7.364 9.818 ( -4.238 -0.102 -0.661) 4.291 10.019 ( -5.633 -3.020 -0.288) 6.398 10.206 ( -0.188 1.450 -2.967) 3.307 10.571 ( 0.627 0.759 1.205) 1.557 10.861 ( -2.318 -1.318 0.535) 2.720 10.920 ( 3.964 -1.564 0.472) 4.287 11.422 ( 6.122 2.220 0.878) 6.571 11.575 ( 4.435 -1.406 -0.622) 4.694 12.003 ( -3.355 0.708 -2.349) 4.156 12.036 ( -0.800 0.930 1.990) 2.337 12.704 ( 2.198 3.261 -0.906) 4.035 12.823 ( -6.037 2.016 1.600) 6.563 13.151 ( -4.191 -0.696 0.072) 4.249 13.306 ( -0.683 -1.326 -2.203) 2.660 13.635 ( 0.243 1.473 3.053) 3.398 13.648 ( 0.712 0.102 0.648) 0.968 13.731 ( 1.880 -0.292 -3.479) 3.966 14.058 ( 0.438 2.698 2.571) 3.752 14.598 ( 12.681 4.865 0.498) 13.592 14.690 ( 9.061 4.778 -2.278) 10.494 14.845 ( -0.513 0.265 -2.205) 2.279 15.192 ( -0.662 -3.912 1.686) 4.311 15.543 ( 3.957 -0.761 2.317) 4.648 15.655 ( 7.852 1.957 -2.424) 8.447 15.722 ( 1.581 3.609 0.110) 3.941 15.773 ( 4.350 2.086 0.439) 4.844 16.486 ( 0.340 -2.862 2.247) 3.655 16.688 ( -0.479 2.319 0.807) 2.502 16.822 ( -2.086 -1.199 0.334) 2.429 16.964 ( 1.810 -3.134 -0.525) 3.657 17.049 ( -3.013 1.025 -0.814) 3.285 17.118 ( -0.946 -1.630 -1.870) 2.655 17.156 ( 0.452 -1.980 0.486) 2.089 17.253 ( 0.233 -0.593 -1.763) 1.875 19.752 ( 4.327 1.577 0.164) 4.608 20.047 ( 4.798 1.563 0.097) 5.048 21.232 ( -5.069 2.290 0.356) 5.573 21.452 ( -4.134 0.762 -0.586) 4.244 22.885 ( -4.935 -3.812 -0.009) 6.236 23.304 ( -2.104 -3.233 -0.603) 3.904 27.871 ( 1.122 -1.132 -2.192) 2.710 28.073 ( -1.870 4.499 2.559) 5.503 29.583 ( 1.973 0.197 3.193) 3.759 29.736 ( 1.674 -1.166 -0.786) 2.186 29.812 ( 2.731 4.266 -1.663) 5.332 30.064 ( 1.014 1.063 -0.185) 1.481 31.007 ( 2.285 -1.450 -1.635) 3.162 31.102 ( 1.109 1.322 1.945) 2.600 31.409 ( -3.151 -5.335 3.003) 6.885 31.643 ( -0.297 -7.228 -0.656) 7.264 31.735 ( -0.389 2.985 -3.540) 4.647 31.921 ( -1.717 -0.155 -1.052) 2.020 32.088 ( -5.623 -0.474 -2.929) 6.358 32.191 ( 2.515 0.202 3.212) 4.085 32.550 ( 5.398 -0.510 -2.001) 5.780 32.555 ( 2.678 -1.372 0.831) 3.122 32.719 ( 2.435 1.108 1.776) 3.212 33.328 ( -1.611 4.212 -3.759) 5.871 34.449 ( 2.445 -2.040 -1.264) 3.426 34.600 ( -3.352 1.420 4.869) 6.079 34.747 ( -3.208 -11.140 -1.916) 11.750 35.550 ( -10.830 -3.010 3.535) 11.783 35.819 ( 7.106 8.315 1.051) 10.988 36.092 ( 8.949 3.706 -2.231) 9.939 36.361 ( 2.444 12.544 1.466) 12.864 37.345 ( -6.004 5.782 0.007) 8.335 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.017 3.380 -0.179) 4.534 1.839 ( 4.914 3.361 6.641) 8.919 2.135 ( -4.186 -0.464 -1.890) 4.616 2.227 ( 3.994 -3.999 -0.299) 5.660 2.412 ( 2.301 3.203 1.707) 4.298 2.508 ( -2.492 1.990 -5.209) 6.108 2.655 ( 6.543 3.365 -4.338) 8.541 3.040 ( -0.826 -1.936 3.055) 3.710 3.061 ( 3.252 1.929 -2.491) 4.527 3.272 ( -1.652 -6.800 3.335) 7.751 3.359 ( -1.260 4.144 -0.397) 4.349 3.582 ( -0.940 -3.705 1.103) 3.978 3.659 ( -5.609 3.905 -3.707) 7.775 3.800 ( 4.502 -2.995 4.986) 7.355 3.962 ( 0.985 1.393 0.548) 1.792 4.187 ( 0.226 0.026 -6.333) 6.337 4.285 ( -6.162 0.296 -0.041) 6.169 4.305 ( -7.074 -0.022 -2.037) 7.361 4.475 ( -5.171 -1.322 1.444) 5.530 4.483 ( -1.237 -3.163 3.277) 4.719 4.519 ( -1.261 7.574 3.689) 8.519 4.612 ( 2.799 -3.801 1.768) 5.040 4.777 ( 2.896 1.917 -0.314) 3.487 4.904 ( 1.492 -3.353 -1.439) 3.942 4.942 ( 0.557 1.410 -0.969) 1.799 5.092 ( 2.227 5.613 -0.955) 6.114 5.179 ( 0.437 -2.982 3.678) 4.755 5.214 ( 11.380 -2.284 -0.818) 11.636 5.510 ( 0.017 -3.322 -2.200) 3.984 5.681 ( 5.158 1.616 -4.510) 7.040 5.872 ( 0.501 -2.028 2.629) 3.358 6.026 ( -3.498 0.796 -1.244) 3.796 6.093 ( -2.587 -2.895 1.350) 4.111 6.479 ( -7.273 -4.917 0.857) 8.820 7.324 ( -2.027 -0.686 -1.725) 2.749 7.449 ( 1.319 -7.585 -0.669) 7.728 7.599 ( -2.161 6.882 3.386) 7.968 7.690 ( 4.849 -3.118 -4.863) 7.542 7.836 ( 1.352 1.075 2.026) 2.662 7.940 ( -2.690 2.085 0.538) 3.446 8.396 ( 0.496 -10.699 3.821) 11.371 8.526 ( -4.175 -2.776 -0.687) 5.060 8.592 ( 0.153 9.095 -2.025) 9.319 8.910 ( 0.424 0.453 -0.585) 0.853 9.001 ( -2.430 5.000 1.541) 5.769 9.058 ( -1.609 4.675 -0.845) 5.015 9.193 ( -2.611 -1.961 -1.533) 3.607 9.374 ( 4.555 0.111 2.697) 5.295 9.822 ( -0.389 -3.177 -0.054) 3.201 10.044 ( -2.326 -4.395 -0.015) 4.972 10.183 ( 1.519 0.757 -2.641) 3.139 10.566 ( 0.067 0.557 1.462) 1.566 10.856 ( -2.819 -0.875 -0.050) 2.952 10.972 ( 4.374 0.356 -0.070) 4.389 11.410 ( 2.639 4.190 0.201) 4.956 11.570 ( -2.740 2.807 -0.128) 3.925 11.981 ( -0.811 -1.009 -2.249) 2.595 12.037 ( 0.117 -0.628 2.212) 2.302 12.692 ( 2.252 1.129 0.752) 2.629 12.795 ( 0.652 -2.076 -0.446) 2.221 13.128 ( -4.439 -1.445 -0.601) 4.707 13.288 ( -5.320 -0.428 1.240) 5.480 13.604 ( -0.497 1.717 2.502) 3.075 13.688 ( 5.249 -0.706 -3.661) 6.439 13.737 ( 0.345 0.455 -0.098) 0.579 14.031 ( -0.047 1.259 1.510) 1.966 14.619 ( 9.569 6.128 -0.264) 11.366 14.683 ( 10.157 5.521 -0.982) 11.602 14.851 ( 1.695 -1.040 -1.388) 2.425 15.238 ( -1.136 -1.817 1.393) 2.556 15.524 ( -4.364 2.926 1.309) 5.414 15.625 ( -5.105 4.115 -0.321) 6.565 15.664 ( 3.027 4.040 -1.580) 5.290 15.748 ( -1.817 3.789 0.867) 4.291 16.538 ( 1.543 0.258 -0.907) 1.808 16.657 ( 0.105 -0.286 2.185) 2.206 16.840 ( 0.624 -1.670 -0.672) 1.905 16.990 ( -2.663 1.669 -0.710) 3.221 17.031 ( 0.776 -2.300 -0.119) 2.431 17.127 ( -2.322 -1.571 2.322) 3.641 17.185 ( 0.266 -1.034 -0.502) 1.180 17.253 ( 0.088 0.107 -1.708) 1.713 19.750 ( 1.868 2.277 0.041) 2.946 20.036 ( 1.359 3.104 0.049) 3.389 21.198 ( -1.331 -1.881 0.658) 2.396 21.427 ( -2.031 -1.593 -0.859) 2.720 22.914 ( -2.370 -3.746 0.248) 4.439 23.338 ( -0.219 -2.254 -0.274) 2.282 27.895 ( 0.223 -0.720 -0.727) 1.047 28.004 ( -0.933 1.917 0.868) 2.302 29.585 ( -0.248 1.350 -1.179) 1.809 29.759 ( -0.287 -0.468 0.312) 0.632 29.783 ( 3.782 2.349 1.080) 4.581 30.036 ( -1.067 1.991 -0.018) 2.259 31.029 ( 0.448 -0.057 -1.289) 1.366 31.098 ( 1.462 1.439 1.286) 2.422 31.492 ( -1.043 -5.657 2.765) 6.382 31.646 ( 3.772 5.848 -2.453) 7.379 31.769 ( -2.154 -7.264 -1.482) 7.720 31.904 ( -2.135 0.320 0.746) 2.284 32.065 ( -1.840 -2.479 -2.902) 4.237 32.242 ( 5.339 -0.423 3.509) 6.403 32.571 ( 0.646 1.216 0.230) 1.396 32.594 ( 4.829 0.436 -1.935) 5.221 32.693 ( -1.773 2.934 1.790) 3.867 33.241 ( -4.301 1.822 -1.619) 4.944 34.480 ( 0.784 0.417 -1.637) 1.862 34.572 ( -1.446 -0.371 2.191) 2.651 34.904 ( -0.435 -9.111 0.120) 9.122 35.457 ( -14.251 0.183 0.430) 14.259 35.741 ( 4.478 6.083 -0.074) 7.554 36.172 ( 16.615 1.647 -2.572) 16.893 36.222 ( 0.921 6.171 2.557) 6.743 37.219 ( -8.527 0.949 0.095) 8.580 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -7.816 13.128 0.483) 15.286 1.715 ( 1.818 17.679 0.399) 17.777 2.005 ( -9.678 8.221 1.050) 12.742 2.224 ( 5.058 5.449 1.808) 7.651 2.368 ( -0.735 3.273 0.514) 3.394 2.589 ( 3.106 -9.605 -5.642) 11.565 2.730 ( 8.381 -3.225 1.625) 9.126 2.975 ( -2.793 10.429 -0.371) 10.802 3.078 ( 0.913 1.421 2.151) 2.735 3.181 ( -1.549 1.586 -0.860) 2.378 3.318 ( -5.529 3.773 -6.425) 9.278 3.606 ( 0.546 -0.540 -0.715) 1.050 3.687 ( 1.940 -3.722 3.285) 5.330 3.832 ( -4.884 -0.287 -1.631) 5.157 3.983 ( -0.211 -2.707 -0.067) 2.716 4.080 ( -6.206 6.549 -2.388) 9.333 4.179 ( 2.014 -2.069 -4.305) 5.183 4.287 ( -5.702 2.701 5.315) 8.250 4.411 ( -4.871 3.344 10.076) 11.681 4.468 ( 2.035 0.995 -1.905) 2.960 4.522 ( -1.162 -0.201 1.733) 2.096 4.638 ( -0.645 2.677 1.887) 3.338 4.718 ( -0.409 2.585 -4.976) 5.623 4.941 ( 2.069 5.038 -4.509) 7.071 4.967 ( 0.508 0.635 4.527) 4.600 5.003 ( -0.831 -4.112 0.958) 4.303 5.172 ( 8.096 4.598 1.139) 9.380 5.403 ( 2.119 -2.655 3.161) 4.640 5.537 ( -1.673 -1.753 -4.552) 5.157 5.808 ( 15.675 -5.669 -2.954) 16.928 5.891 ( -2.611 0.201 -3.640) 4.484 6.018 ( 0.992 -4.660 2.153) 5.228 6.169 ( 0.713 -6.741 3.748) 7.746 6.506 ( -6.774 -5.723 0.011) 8.868 7.317 ( -1.344 -1.113 -0.747) 1.898 7.447 ( 0.536 7.048 -0.942) 7.131 7.596 ( -1.585 -5.427 2.462) 6.166 7.767 ( -0.050 2.424 1.130) 2.675 7.803 ( 6.511 -3.052 -3.037) 7.806 8.037 ( 1.401 -10.201 2.952) 10.712 8.347 ( -0.069 13.498 -2.455) 13.720 8.545 ( -4.080 -6.881 -2.871) 8.499 8.630 ( 1.877 -6.254 2.193) 6.888 8.873 ( 0.753 5.192 0.271) 5.254 8.903 ( -7.319 -1.564 0.072) 7.484 8.979 ( -2.849 2.097 -0.528) 3.577 9.242 ( 0.691 -4.775 -0.877) 4.903 9.480 ( 5.446 -5.432 1.325) 7.805 9.907 ( 3.367 -4.938 -0.019) 5.977 10.102 ( -2.265 -4.509 -0.314) 5.056 10.203 ( 4.072 -0.554 -0.792) 4.185 10.561 ( -0.485 0.400 0.879) 1.081 10.840 ( -2.428 -0.307 0.512) 2.500 10.992 ( 5.393 2.161 -1.613) 6.029 11.337 ( -0.858 5.542 -0.345) 5.619 11.445 ( -8.242 5.365 0.824) 9.869 12.009 ( 1.387 -2.823 -1.431) 3.456 12.076 ( 1.427 -2.677 1.618) 3.438 12.721 ( 3.102 -1.180 2.144) 3.951 12.871 ( 3.058 -4.262 -2.522) 5.821 13.100 ( -7.068 -1.414 -0.828) 7.255 13.252 ( -5.002 -1.428 2.984) 5.997 13.588 ( 1.206 1.049 0.273) 1.621 13.720 ( -0.891 1.017 1.997) 2.412 13.738 ( 6.206 0.761 -3.945) 7.393 14.031 ( 0.696 -0.627 0.733) 1.189 14.577 ( 7.160 7.375 -0.419) 10.288 14.696 ( 12.033 5.902 0.083) 13.403 14.897 ( 2.616 -1.854 -0.458) 3.239 15.207 ( -7.567 3.113 -0.664) 8.209 15.384 ( -8.993 5.567 0.922) 10.617 15.468 ( -11.272 4.084 0.031) 11.989 15.585 ( -1.079 6.675 2.013) 7.055 15.645 ( -3.874 3.994 -1.727) 5.826 16.508 ( 0.725 2.151 -1.825) 2.912 16.702 ( 1.567 -1.682 1.279) 2.631 16.872 ( 1.348 -0.388 -1.253) 1.881 16.939 ( -1.507 0.909 -0.550) 1.844 17.048 ( -2.230 -0.602 0.391) 2.342 17.147 ( 0.290 0.092 5.337) 5.346 17.190 ( 0.180 0.538 -1.427) 1.535 17.251 ( -0.374 -1.259 -1.740) 2.180 19.718 ( 0.248 2.387 -0.017) 2.400 19.978 ( -1.113 3.657 0.026) 3.823 21.265 ( 1.470 -5.102 0.683) 5.354 21.459 ( -0.301 -3.611 -0.902) 3.734 22.965 ( 0.064 -3.630 0.452) 3.659 23.369 ( 0.956 -1.013 -0.075) 1.395 27.873 ( -1.049 2.293 0.622) 2.597 28.018 ( 0.203 -3.244 -0.682) 3.321 29.528 ( -1.170 3.740 -2.711) 4.765 29.739 ( -1.173 2.580 1.025) 3.014 29.803 ( 3.054 -0.145 1.045) 3.231 29.999 ( -2.441 -0.173 0.500) 2.498 31.011 ( -0.582 1.746 -0.226) 1.854 31.088 ( 0.949 1.216 0.067) 1.544 31.562 ( -0.190 -1.217 0.054) 1.233 31.588 ( 3.531 3.546 -1.991) 5.386 31.852 ( 0.446 -3.621 0.894) 3.756 31.899 ( -2.250 -2.899 2.002) 4.180 32.110 ( 2.169 -3.058 -2.439) 4.473 32.305 ( 4.296 0.274 2.585) 5.021 32.535 ( -0.337 3.171 0.646) 3.254 32.583 ( -5.334 2.841 -1.788) 6.302 32.651 ( 9.126 3.227 2.007) 9.886 33.173 ( -9.481 -1.734 -0.603) 9.657 34.444 ( -0.711 2.674 -1.108) 2.980 34.600 ( 0.689 -2.594 -0.622) 2.755 34.992 ( 2.940 2.409 2.987) 4.834 35.337 ( -12.767 -3.824 -2.753) 13.609 35.714 ( 3.290 1.843 -0.343) 3.787 36.082 ( -3.385 5.657 -1.764) 6.824 36.422 ( 20.705 -6.598 1.425) 21.777 37.155 ( -12.266 -5.131 0.168) 13.297 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -12.142 18.127 -1.275) 21.855 1.353 ( -1.673 23.853 -1.217) 23.942 1.767 ( -6.374 12.058 1.189) 13.691 2.085 ( 4.406 17.521 4.246) 18.558 2.316 ( -0.719 3.482 -1.394) 3.819 2.698 ( -2.488 11.376 -3.698) 12.218 2.744 ( 5.760 1.451 -0.868) 6.004 2.822 ( -3.499 -2.412 4.281) 6.032 3.050 ( -2.944 -0.856 -1.591) 3.454 3.178 ( 2.208 -3.569 -0.594) 4.239 3.277 ( 1.264 -0.799 -3.155) 3.492 3.585 ( 0.461 3.406 1.685) 3.828 3.677 ( -5.737 0.517 -1.729) 6.014 3.807 ( -2.154 -0.555 -0.566) 2.295 3.943 ( -2.769 4.309 -2.612) 5.750 4.030 ( 2.362 -1.293 -0.679) 2.777 4.183 ( -4.420 3.336 4.845) 7.358 4.245 ( -1.552 -1.650 1.791) 2.888 4.300 ( 2.581 9.183 0.205) 9.541 4.461 ( 0.762 2.280 2.802) 3.692 4.516 ( 2.822 0.704 -2.320) 3.721 4.592 ( -0.422 2.247 5.641) 6.086 4.689 ( -4.058 -2.642 -6.014) 7.721 4.862 ( 4.424 5.274 -2.302) 7.258 4.952 ( -2.116 0.379 4.504) 4.991 5.058 ( 3.405 5.088 2.001) 6.441 5.179 ( -2.737 -5.239 -2.166) 6.296 5.400 ( 1.173 5.666 1.234) 5.916 5.531 ( -1.466 -1.433 -2.283) 3.068 5.862 ( 1.262 -1.291 -2.764) 3.301 6.041 ( 11.592 -5.706 -2.300) 13.123 6.147 ( -0.359 -6.849 3.063) 7.511 6.361 ( 4.681 -11.003 3.198) 12.377 6.544 ( -4.740 -5.848 -0.447) 7.541 7.328 ( -0.498 -0.483 3.445) 3.514 7.362 ( -0.056 1.777 -4.373) 4.721 7.632 ( -0.038 0.304 3.521) 3.534 7.727 ( -1.940 0.434 -0.182) 1.996 7.970 ( 8.829 -7.324 -4.627) 12.370 8.118 ( -2.181 11.391 1.614) 11.710 8.257 ( 3.077 -11.395 1.928) 11.959 8.563 ( -7.049 -3.165 -4.145) 8.769 8.717 ( 6.531 2.278 -0.476) 6.933 8.807 ( -1.083 1.589 1.212) 2.273 8.922 ( -4.685 -1.703 0.022) 4.985 8.948 ( -3.414 -7.712 -0.369) 8.442 9.344 ( 0.759 -6.652 -0.366) 6.705 9.636 ( 3.449 -7.056 0.843) 7.899 10.032 ( 5.466 -4.663 -1.108) 7.270 10.138 ( -3.445 -3.021 0.006) 4.582 10.249 ( 2.492 -0.069 1.138) 2.741 10.548 ( -0.235 0.684 0.011) 0.724 10.827 ( -1.160 0.184 0.979) 1.530 11.008 ( 7.117 1.856 -2.904) 7.908 11.211 ( -2.423 7.123 -1.935) 7.769 11.269 ( -9.767 5.236 3.272) 11.555 12.088 ( 2.112 -4.650 -0.629) 5.146 12.160 ( 2.041 -4.688 0.688) 5.159 12.798 ( 3.445 -3.269 2.277) 5.266 12.962 ( 2.033 -4.770 -3.325) 6.160 13.043 ( -8.405 -1.773 0.186) 8.592 13.263 ( -1.260 -1.847 1.774) 2.855 13.595 ( 2.718 0.189 -1.048) 2.919 13.694 ( -2.344 1.170 4.003) 4.784 13.751 ( 3.507 2.130 -2.927) 5.041 14.066 ( 2.715 -0.891 -0.180) 2.863 14.521 ( 7.276 7.640 -0.354) 10.557 14.702 ( 11.705 7.434 1.453) 13.943 14.922 ( -3.231 2.634 0.073) 4.169 14.983 ( -13.320 4.970 -1.587) 14.306 15.161 ( -15.801 6.017 -1.368) 16.963 15.367 ( -1.185 1.908 1.933) 2.963 15.452 ( -4.099 6.461 2.260) 7.978 15.545 ( -2.803 3.355 -2.209) 4.898 16.498 ( 0.829 -0.828 -1.105) 1.611 16.731 ( 1.058 -0.139 -0.112) 1.073 16.845 ( -0.732 2.605 0.002) 2.706 16.949 ( 1.351 -1.332 -1.489) 2.412 17.033 ( -2.294 -0.379 1.650) 2.851 17.140 ( -0.255 2.309 4.533) 5.094 17.157 ( 0.352 2.985 -2.655) 4.010 17.283 ( 0.502 -2.201 -0.590) 2.333 19.684 ( 0.018 1.693 -0.009) 1.693 19.909 ( -1.274 2.863 -0.041) 3.134 21.374 ( 1.360 -5.492 0.438) 5.675 21.523 ( 0.130 -4.109 -0.545) 4.146 23.039 ( 1.722 -3.973 0.456) 4.354 23.386 ( 1.078 0.213 0.025) 1.099 27.825 ( -1.446 2.109 1.257) 2.850 28.084 ( 0.175 -4.398 -1.100) 4.537 29.432 ( -1.563 5.019 -2.222) 5.708 29.669 ( -1.257 4.178 1.201) 4.526 29.840 ( 1.537 -1.239 -0.347) 2.005 30.004 ( -1.480 -2.380 0.576) 2.861 30.961 ( -0.565 3.543 0.568) 3.632 31.083 ( 0.185 -0.153 -0.497) 0.552 31.525 ( 2.586 5.294 -1.554) 6.093 31.576 ( -1.009 -0.311 -0.590) 1.209 31.922 ( 1.757 -2.956 2.520) 4.264 31.960 ( -0.169 -4.324 1.627) 4.623 32.178 ( 3.983 -2.044 -1.607) 4.756 32.316 ( 0.401 1.222 0.705) 1.467 32.452 ( -5.808 4.232 0.402) 7.197 32.478 ( -1.624 3.293 -0.465) 3.701 32.700 ( 14.421 7.340 2.544) 16.381 33.130 ( -13.257 -7.285 -0.758) 15.146 34.389 ( -0.481 2.586 -0.472) 2.672 34.658 ( 1.451 -3.336 -2.076) 4.189 34.892 ( 1.461 11.054 1.722) 11.283 35.340 ( -6.541 -6.673 -1.528) 9.468 35.727 ( 2.313 0.120 -0.335) 2.340 35.962 ( -4.974 3.040 -0.801) 5.884 36.761 ( 20.946 -7.470 -1.089) 22.265 37.173 ( -15.091 -14.037 0.657) 20.621 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -0.000 20.770 -0.000) 20.770 0.921 ( -0.000 26.074 -0.000) 26.074 1.377 ( -0.000 32.877 -0.000) 32.877 1.893 ( -0.000 5.827 -0.000) 5.827 2.181 ( -0.000 10.750 -0.000) 10.750 2.515 ( -0.000 6.003 -0.000) 6.003 2.723 ( -0.000 1.885 -0.000) 1.885 2.866 ( 0.000 -4.725 0.000) 4.725 3.124 ( 0.000 -5.380 0.000) 5.380 3.164 ( -0.000 7.390 -0.000) 7.390 3.297 ( 0.000 -1.207 0.000) 1.207 3.544 ( -0.000 3.135 -0.000) 3.135 3.647 ( 0.000 -2.347 0.000) 2.347 3.802 ( 0.000 -0.643 0.000) 0.643 3.846 ( -0.000 4.575 -0.000) 4.575 4.040 ( -0.000 1.613 -0.000) 1.613 4.133 ( -0.000 3.549 -0.000) 3.549 4.174 ( -0.000 3.520 -0.000) 3.520 4.256 ( 0.000 -0.683 0.000) 0.683 4.421 ( -0.000 3.360 -0.000) 3.360 4.488 ( -0.000 3.606 -0.000) 3.606 4.566 ( -0.000 2.749 -0.000) 2.749 4.724 ( 0.000 -4.996 0.000) 4.996 4.819 ( -0.000 2.954 -0.000) 2.954 4.936 ( -0.000 8.096 -0.000) 8.096 4.974 ( 0.000 -1.460 0.000) 1.460 5.237 ( 0.000 -2.532 0.000) 2.532 5.285 ( -0.000 7.648 -0.000) 7.648 5.549 ( 0.000 -1.883 0.000) 1.883 5.934 ( 0.000 -6.008 0.000) 6.008 6.195 ( 0.000 -3.886 0.000) 3.886 6.227 ( 0.000 -4.698 0.000) 4.698 6.582 ( 0.000 -10.036 0.000) 10.036 6.604 ( 0.000 -3.606 0.000) 3.606 7.348 ( 0.000 -2.402 0.000) 2.402 7.362 ( 0.000 -1.711 0.000) 1.711 7.621 ( -0.000 1.956 -0.000) 1.956 7.709 ( -0.000 1.076 -0.000) 1.076 7.940 ( -0.000 7.101 -0.000) 7.101 8.162 ( 0.000 -8.244 0.000) 8.244 8.456 ( 0.000 -8.398 0.000) 8.398 8.532 ( 0.000 -0.758 0.000) 0.758 8.689 ( -0.000 2.669 -0.000) 2.669 8.805 ( 0.000 -0.506 0.000) 0.506 8.939 ( 0.000 -4.017 0.000) 4.017 9.058 ( 0.000 -5.010 0.000) 5.010 9.476 ( 0.000 -8.864 0.000) 8.864 9.767 ( 0.000 -6.188 0.000) 6.188 10.131 ( -0.000 0.037 -0.000) 0.037 10.147 ( 0.000 -3.808 0.000) 3.808 10.240 ( -0.000 2.173 -0.000) 2.173 10.541 ( -0.000 0.380 -0.000) 0.380 10.815 ( -0.000 0.769 -0.000) 0.769 11.036 ( -0.000 0.293 -0.000) 0.293 11.065 ( -0.000 7.157 -0.000) 7.157 11.134 ( -0.000 4.457 -0.000) 4.457 12.181 ( 0.000 -4.870 0.000) 4.870 12.254 ( 0.000 -4.640 0.000) 4.640 12.890 ( 0.000 -4.537 0.000) 4.537 13.038 ( 0.000 -3.031 0.000) 3.031 13.049 ( 0.000 -4.866 0.000) 4.866 13.283 ( 0.000 -0.779 0.000) 0.779 13.618 ( 0.000 -0.649 0.000) 0.649 13.658 ( -0.000 1.726 -0.000) 1.726 13.722 ( -0.000 2.607 -0.000) 2.607 14.074 ( -0.000 2.183 -0.000) 2.183 14.430 ( -0.000 7.288 -0.000) 7.288 14.692 ( -0.000 6.327 -0.000) 6.327 14.739 ( -0.000 7.761 -0.000) 7.761 14.817 ( -0.000 2.515 -0.000) 2.515 15.041 ( -0.000 1.940 -0.000) 1.940 15.314 ( -0.000 6.024 -0.000) 6.024 15.359 ( -0.000 0.023 -0.000) 0.023 15.478 ( -0.000 2.422 -0.000) 2.422 16.546 ( 0.000 -4.407 0.000) 4.407 16.732 ( -0.000 0.393 -0.000) 0.393 16.795 ( -0.000 2.715 -0.000) 2.715 16.976 ( 0.000 -1.188 0.000) 1.188 17.035 ( 0.000 -0.721 0.000) 0.721 17.080 ( -0.000 5.293 -0.000) 5.293 17.109 ( -0.000 2.135 -0.000) 2.135 17.308 ( 0.000 -0.285 0.000) 0.285 19.663 ( -0.000 0.984 -0.000) 0.984 19.867 ( -0.000 1.380 -0.000) 1.380 21.461 ( 0.000 -4.013 0.000) 4.013 21.586 ( 0.000 -3.307 0.000) 3.307 23.123 ( 0.000 -4.346 0.000) 4.346 23.379 ( -0.000 1.476 -0.000) 1.476 27.787 ( -0.000 1.557 -0.000) 1.557 28.154 ( 0.000 -3.981 0.000) 3.981 29.334 ( -0.000 4.769 -0.000) 4.769 29.598 ( -0.000 3.463 -0.000) 3.463 29.866 ( 0.000 -1.094 0.000) 1.094 30.047 ( 0.000 -3.137 0.000) 3.137 30.893 ( -0.000 4.131 -0.000) 4.131 31.099 ( 0.000 -1.877 0.000) 1.877 31.432 ( -0.000 6.624 -0.000) 6.624 31.599 ( 0.000 -3.017 0.000) 3.017 31.969 ( 0.000 -0.150 0.000) 0.150 32.035 ( 0.000 -3.942 0.000) 3.942 32.233 ( 0.000 -1.573 0.000) 1.573 32.298 ( -0.000 0.710 -0.000) 0.710 32.349 ( -0.000 3.366 -0.000) 3.366 32.414 ( -0.000 3.328 -0.000) 3.328 32.642 ( -0.000 8.701 -0.000) 8.701 33.189 ( 0.000 -7.669 0.000) 7.669 34.353 ( -0.000 1.278 -0.000) 1.278 34.711 ( -0.000 10.819 -0.000) 10.819 34.718 ( 0.000 -3.116 0.000) 3.116 35.396 ( 0.000 -4.058 0.000) 4.058 35.737 ( -0.000 0.073 -0.000) 0.073 35.900 ( -0.000 1.074 -0.000) 1.074 36.935 ( 0.000 -2.249 0.000) 2.249 37.411 ( 0.000 -20.722 0.000) 20.722 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 11.462 -0.000 4.036) 12.152 0.857 ( 17.735 -0.000 1.494) 17.797 1.876 ( 10.396 -0.000 -1.981) 10.583 1.876 ( 17.352 -0.000 7.629) 18.955 2.085 ( 24.779 -0.000 1.536) 24.826 2.844 ( -2.293 0.000 0.348) 2.319 2.907 ( -2.294 0.000 -5.105) 5.596 2.997 ( -1.527 0.000 -3.497) 3.816 3.011 ( 15.123 -0.000 2.744) 15.370 3.295 ( 2.397 -0.000 3.574) 4.303 3.388 ( 2.331 -0.000 4.097) 4.713 3.453 ( 0.591 -0.000 6.951) 6.976 3.719 ( -2.430 0.000 -6.564) 6.999 3.770 ( -1.966 0.000 -9.523) 9.723 3.793 ( -3.248 0.000 1.799) 3.713 4.003 ( 5.297 -0.000 1.399) 5.479 4.100 ( -1.701 0.000 -11.254) 11.382 4.124 ( 2.782 -0.000 7.541) 8.038 4.260 ( -0.285 0.000 -0.005) 0.285 4.393 ( -4.121 0.000 -4.230) 5.906 4.502 ( 11.286 -0.000 1.430) 11.376 4.510 ( 5.412 -0.000 3.824) 6.627 4.770 ( -1.572 0.000 0.769) 1.750 4.847 ( 8.088 -0.000 -6.323) 10.266 4.927 ( -3.793 0.000 -0.901) 3.898 5.144 ( -2.904 0.000 2.577) 3.882 5.243 ( 2.226 -0.000 -2.530) 3.370 5.419 ( 1.706 -0.000 -7.140) 7.341 5.636 ( 1.766 -0.000 -0.970) 2.015 5.704 ( 1.425 -0.000 4.568) 4.785 5.839 ( -13.386 0.000 3.801) 13.915 5.924 ( -6.284 0.000 0.526) 6.306 6.141 ( -8.363 0.000 -1.021) 8.425 6.345 ( -15.184 0.000 -0.506) 15.192 7.206 ( -9.035 0.000 -9.314) 12.976 7.432 ( 0.332 -0.000 1.360) 1.400 7.594 ( 0.761 -0.000 -0.773) 1.084 7.745 ( 1.240 -0.000 11.763) 11.828 7.854 ( -1.193 0.000 4.099) 4.269 7.993 ( -3.926 0.000 2.575) 4.696 8.349 ( -5.774 0.000 1.643) 6.003 8.507 ( -3.685 0.000 -1.858) 4.127 8.847 ( 4.323 -0.000 1.823) 4.691 8.901 ( 3.396 -0.000 0.108) 3.398 9.147 ( 0.843 -0.000 4.924) 4.995 9.193 ( 5.385 -0.000 2.030) 5.755 9.478 ( -7.411 0.000 -1.470) 7.555 9.706 ( -7.339 0.000 -1.930) 7.588 9.979 ( -6.392 0.000 5.521) 8.446 9.982 ( -9.589 0.000 -3.728) 10.288 10.201 ( 0.318 -0.000 -4.596) 4.607 10.561 ( 6.895 -0.000 -0.365) 6.905 10.822 ( -0.618 0.000 -0.044) 0.620 10.841 ( -2.430 0.000 3.789) 4.501 11.331 ( 11.680 -0.000 4.601) 12.554 11.411 ( 10.195 -0.000 -4.852) 11.291 12.128 ( -7.379 0.000 -1.085) 7.458 12.134 ( -6.457 0.000 1.643) 6.662 12.930 ( -4.185 0.000 -1.572) 4.470 13.051 ( 0.311 -0.000 2.518) 2.538 13.085 ( -5.978 0.000 3.799) 7.083 13.198 ( -2.036 0.000 -5.308) 5.685 13.611 ( 5.575 -0.000 -4.002) 6.863 13.726 ( 1.982 -0.000 -0.275) 2.001 13.771 ( -4.180 0.000 -2.050) 4.655 14.179 ( -3.589 0.000 10.894) 11.470 14.661 ( 15.420 -0.000 0.789) 15.440 14.675 ( 15.928 -0.000 -3.316) 16.270 14.895 ( 0.257 -0.000 -5.590) 5.596 14.999 ( 2.020 -0.000 1.494) 2.512 15.334 ( 19.031 -0.000 -4.796) 19.626 15.625 ( 10.972 -0.000 -2.027) 11.158 15.656 ( 7.027 -0.000 6.038) 9.265 16.260 ( -9.343 0.000 -1.014) 9.398 16.507 ( -9.077 0.000 2.953) 9.545 16.667 ( -1.106 0.000 -1.972) 2.261 16.794 ( 1.370 -0.000 -2.557) 2.901 16.852 ( 1.073 -0.000 -0.314) 1.118 17.003 ( -2.296 0.000 1.749) 2.886 17.096 ( 4.265 -0.000 -10.999) 11.797 17.167 ( -3.731 0.000 1.247) 3.934 17.173 ( 4.162 -0.000 -3.893) 5.699 19.828 ( 10.213 -0.000 -3.813) 10.901 19.960 ( 9.326 -0.000 2.404) 9.631 21.439 ( -8.224 0.000 0.280) 8.229 21.537 ( -5.859 0.000 -0.599) 5.890 22.805 ( -8.927 0.000 0.972) 8.979 23.184 ( -5.215 0.000 -2.192) 5.657 27.893 ( 1.854 -0.000 -12.166) 12.307 28.230 ( -3.922 0.000 8.141) 9.037 29.688 ( 11.461 -0.000 -5.462) 12.696 29.796 ( 0.359 -0.000 7.159) 7.168 29.910 ( -0.178 0.000 2.064) 2.072 30.018 ( -4.114 0.000 -2.422) 4.774 30.998 ( 6.702 -0.000 -6.358) 9.238 31.040 ( 0.341 -0.000 0.403) 0.528 31.209 ( 0.203 -0.000 0.144) 0.249 31.233 ( -1.788 0.000 4.106) 4.478 31.851 ( -4.198 0.000 -1.374) 4.417 31.999 ( 3.201 -0.000 0.191) 3.207 32.146 ( -6.897 0.000 -0.111) 6.898 32.164 ( 1.734 -0.000 -0.669) 1.859 32.418 ( 5.079 -0.000 1.398) 5.268 32.467 ( 8.461 -0.000 -0.511) 8.476 32.656 ( 6.570 -0.000 -1.755) 6.801 33.542 ( -1.580 0.000 -10.607) 10.724 34.389 ( -2.849 0.000 -1.673) 3.304 34.392 ( 3.096 -0.000 -4.114) 5.149 34.705 ( -8.629 0.000 14.924) 17.239 35.467 ( -6.698 0.000 4.759) 8.216 35.995 ( 7.586 -0.000 -0.484) 7.602 36.109 ( 12.051 -0.000 -7.066) 13.970 37.114 ( -12.066 0.000 18.159) 21.802 37.598 ( -8.363 0.000 -2.019) 8.603 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 10.668 -18.456 -2.109) 21.421 1.115 ( 11.101 -14.080 5.419) 18.731 1.955 ( 5.524 -0.923 1.516) 5.802 2.044 ( 9.913 -5.656 1.218) 11.478 2.347 ( 23.553 2.702 4.992) 24.228 2.704 ( -0.963 7.534 -2.514) 8.000 2.930 ( -2.616 -0.336 -3.027) 4.015 2.959 ( -3.015 -0.510 -3.605) 4.727 3.141 ( 12.348 1.732 2.321) 12.683 3.292 ( 4.676 4.528 4.390) 7.851 3.397 ( -0.511 1.866 2.225) 2.949 3.489 ( -0.485 -1.354 8.100) 8.227 3.659 ( -3.773 -0.539 -1.678) 4.164 3.710 ( -6.652 -2.449 -3.457) 7.887 3.879 ( -1.623 -8.928 -2.773) 9.489 4.060 ( 3.253 -1.383 -6.552) 7.445 4.074 ( -0.952 -2.046 -6.031) 6.440 4.232 ( 7.825 -2.448 4.559) 9.381 4.293 ( 0.142 -3.643 1.321) 3.877 4.342 ( 5.096 1.335 -3.940) 6.578 4.548 ( 6.835 2.628 -0.342) 7.331 4.627 ( 5.529 -1.934 1.778) 6.121 4.754 ( 1.305 0.903 1.840) 2.430 4.871 ( -3.422 -1.361 0.126) 3.685 4.953 ( 4.715 -0.860 -1.994) 5.191 5.066 ( 1.267 8.832 -0.331) 8.929 5.148 ( 0.489 0.534 -2.806) 2.898 5.503 ( -1.251 -1.256 -1.187) 2.133 5.605 ( -3.432 2.731 2.576) 5.087 5.681 ( -0.936 -0.531 0.073) 1.078 5.824 ( -7.309 2.110 3.393) 8.330 5.894 ( -4.617 -5.071 -2.733) 7.383 6.036 ( -6.813 -2.357 -2.471) 7.621 6.294 ( -13.542 -7.889 0.667) 15.686 7.117 ( -8.024 -2.973 -8.217) 11.863 7.443 ( 0.398 -0.409 -2.093) 2.169 7.540 ( -0.199 4.367 2.751) 5.165 7.846 ( -2.123 0.240 4.468) 4.952 7.864 ( 1.500 -6.401 8.179) 10.494 7.949 ( -3.700 1.451 2.047) 4.471 8.302 ( -4.076 1.037 0.683) 4.261 8.438 ( -2.434 3.249 -1.952) 4.504 8.904 ( 1.937 -1.751 -0.608) 2.681 8.928 ( 4.814 1.218 -0.383) 4.981 9.139 ( 0.386 3.332 4.707) 5.780 9.236 ( 3.312 1.335 3.403) 4.932 9.374 ( -5.051 3.449 -2.072) 6.458 9.599 ( -7.955 3.225 -0.970) 8.638 9.861 ( -8.269 2.002 -2.629) 8.905 9.946 ( -6.388 -1.090 4.233) 7.741 10.197 ( -1.652 -1.464 -5.080) 5.539 10.609 ( 5.174 1.590 -0.311) 5.422 10.832 ( -2.158 -0.351 2.592) 3.391 10.851 ( 2.587 -2.344 0.635) 3.548 11.457 ( 10.711 -0.189 3.848) 11.382 11.504 ( 9.552 -1.523 -4.028) 10.477 12.046 ( -6.478 1.295 -1.563) 6.788 12.071 ( -5.331 0.735 1.633) 5.624 12.866 ( -2.469 2.961 -0.877) 3.953 12.936 ( -4.317 6.147 3.115) 8.132 13.110 ( -6.070 -2.275 2.050) 6.799 13.206 ( 0.363 -3.945 -5.468) 6.752 13.647 ( 6.180 1.033 -4.996) 8.014 13.716 ( -0.898 0.001 -7.003) 7.061 13.740 ( -0.292 2.093 8.072) 8.344 14.144 ( -5.045 1.798 8.687) 10.205 14.764 ( 13.914 3.827 0.225) 14.432 14.817 ( 13.349 0.864 -1.241) 13.435 14.874 ( 2.824 1.700 -6.117) 6.948 15.049 ( 0.975 -3.626 1.633) 4.095 15.511 ( 16.946 -0.437 -2.011) 17.071 15.708 ( 9.906 1.318 -1.983) 10.188 15.751 ( 8.020 -0.726 4.693) 9.320 16.055 ( -4.403 11.470 -0.717) 12.307 16.426 ( -5.914 -0.188 1.936) 6.225 16.693 ( -2.214 -3.033 1.973) 4.242 16.805 ( -0.808 -0.148 -1.667) 1.858 16.863 ( 1.172 -1.159 -1.309) 2.104 17.006 ( -2.448 -2.451 0.665) 3.528 17.107 ( 1.358 -0.451 -2.221) 2.642 17.123 ( -2.267 1.031 -1.767) 3.054 17.212 ( 2.858 -1.284 -4.005) 5.084 19.866 ( 10.734 4.944 -2.081) 11.999 20.073 ( 9.021 -0.665 1.566) 9.180 21.332 ( -9.240 2.536 1.002) 9.634 21.474 ( -6.978 0.056 -1.209) 7.082 22.754 ( -7.639 -2.826 0.658) 8.172 23.164 ( -4.865 -3.880 -1.940) 6.518 27.868 ( 0.816 0.606 -6.673) 6.750 28.197 ( -3.987 2.004 6.395) 7.798 29.706 ( 3.551 7.550 3.184) 8.930 29.767 ( 6.201 2.887 -1.959) 7.115 29.916 ( 1.768 0.389 0.097) 1.813 30.024 ( -2.025 -3.516 -0.871) 4.149 30.989 ( 5.118 1.239 -1.649) 5.518 31.164 ( 0.386 2.702 1.663) 3.196 31.199 ( -0.420 -10.387 -3.360) 10.925 31.298 ( -2.406 -6.330 2.392) 7.182 31.813 ( -2.557 -0.433 -0.397) 2.624 31.982 ( 0.331 4.104 -1.108) 4.264 32.079 ( -6.162 -0.230 -0.883) 6.229 32.191 ( 1.463 -0.591 0.554) 1.672 32.493 ( 6.504 -1.395 1.790) 6.888 32.542 ( 7.735 -0.158 -2.774) 8.219 32.721 ( 5.006 -0.756 1.026) 5.166 33.464 ( -3.367 2.821 -7.302) 8.522 34.381 ( 0.950 -1.952 -2.219) 3.104 34.444 ( 0.200 -4.413 -3.378) 5.561 34.658 ( -7.212 0.979 11.245) 13.395 35.431 ( -9.052 -2.828 3.348) 10.057 36.043 ( 9.719 4.087 0.832) 10.577 36.192 ( 12.034 1.625 -6.733) 13.885 36.899 ( -6.773 15.395 11.095) 20.149 37.513 ( -9.221 1.450 -0.965) 9.384 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 11.694 -14.015 -3.927) 18.671 1.545 ( 3.075 -22.151 7.509) 23.590 2.026 ( 1.976 -2.864 2.712) 4.412 2.222 ( 9.771 -1.920 -1.102) 10.019 2.393 ( 1.701 4.732 -1.247) 5.181 2.683 ( 13.507 1.048 -1.444) 13.624 2.846 ( -0.757 6.356 -2.025) 6.713 2.944 ( -4.485 -2.557 -1.533) 5.386 3.154 ( 1.647 7.197 -0.603) 7.408 3.246 ( 7.225 6.620 3.559) 10.425 3.388 ( -1.935 -2.416 4.456) 5.426 3.517 ( -2.248 -0.347 5.007) 5.499 3.674 ( -1.759 -3.429 0.289) 3.865 3.713 ( -4.471 -3.638 0.843) 5.825 3.987 ( -4.000 -8.778 0.085) 9.647 4.083 ( 3.543 1.845 -4.159) 5.767 4.107 ( -0.556 -5.930 -8.010) 9.981 4.272 ( -0.896 -2.157 -4.754) 5.296 4.378 ( 0.028 -3.754 3.385) 5.055 4.472 ( 11.154 -0.289 4.794) 12.144 4.510 ( -1.212 2.325 -4.674) 5.360 4.691 ( 4.312 -0.484 -0.019) 4.339 4.764 ( -0.182 -0.422 0.305) 0.551 4.896 ( -1.101 -0.515 3.080) 3.311 4.962 ( 8.742 -0.876 1.729) 8.954 5.029 ( 4.427 4.767 2.840) 7.098 5.139 ( -0.361 -1.111 -9.153) 9.227 5.387 ( -5.291 4.879 0.826) 7.244 5.550 ( 0.361 5.407 3.773) 6.603 5.688 ( -0.963 -1.260 -3.525) 3.866 5.788 ( -1.033 -2.852 2.320) 3.818 5.918 ( -3.140 -4.575 1.681) 5.797 6.053 ( -4.965 -3.579 -4.770) 7.759 6.297 ( -12.681 -6.536 1.611) 14.357 7.127 ( -4.135 -7.831 -6.375) 10.912 7.411 ( -0.576 3.172 -1.757) 3.672 7.526 ( 0.476 -2.128 1.521) 2.659 7.825 ( -3.229 0.874 7.032) 7.787 7.865 ( -0.352 4.494 -3.378) 5.633 8.042 ( -0.191 -9.594 7.550) 12.209 8.212 ( -0.742 7.518 -1.036) 7.625 8.378 ( -4.408 -1.160 -0.582) 4.595 8.909 ( 4.009 4.406 -1.541) 6.153 8.952 ( 3.338 1.139 -1.238) 3.738 9.078 ( -2.204 2.789 1.893) 4.027 9.193 ( -3.796 3.681 2.674) 5.925 9.293 ( -0.723 5.019 -0.242) 5.077 9.478 ( -2.495 3.321 0.848) 4.240 9.756 ( -7.151 0.086 -2.869) 7.706 9.938 ( -2.994 -1.998 4.167) 5.506 10.180 ( -2.977 -1.059 -5.286) 6.159 10.610 ( 2.072 2.132 0.984) 3.132 10.821 ( -2.643 -0.514 1.287) 2.984 10.937 ( 5.541 -2.437 0.229) 6.057 11.537 ( 8.386 2.416 0.765) 8.761 11.603 ( 6.495 -0.868 -0.980) 6.626 11.967 ( -4.807 0.565 -1.900) 5.200 12.028 ( -3.754 -0.147 1.894) 4.207 12.800 ( -4.318 1.776 1.055) 4.786 12.816 ( 2.308 5.972 0.569) 6.428 13.081 ( -5.946 -1.478 -0.521) 6.149 13.246 ( -3.029 -2.728 -2.627) 4.849 13.661 ( 1.016 0.796 -1.743) 2.168 13.694 ( 2.892 2.015 2.431) 4.282 13.739 ( 2.577 0.406 -2.143) 3.376 14.088 ( -4.788 1.678 5.516) 7.495 14.813 ( 11.614 4.660 -0.078) 12.514 14.842 ( 1.400 1.029 -3.076) 3.532 14.899 ( 14.299 5.222 -3.657) 15.656 15.132 ( 0.728 -3.830 2.779) 4.788 15.611 ( 6.927 2.528 1.428) 7.510 15.757 ( 7.286 2.007 -2.591) 7.989 15.821 ( 3.065 4.761 3.486) 6.649 15.865 ( 1.231 5.488 -1.298) 5.772 16.431 ( -1.348 -3.906 1.953) 4.570 16.721 ( -0.170 -0.031 2.418) 2.424 16.777 ( -2.710 -0.329 -0.956) 2.892 16.911 ( 0.734 -3.732 -1.468) 4.077 17.020 ( -2.877 -1.270 0.377) 3.167 17.076 ( -2.711 0.179 -1.374) 3.045 17.136 ( 0.211 -1.693 0.757) 1.867 17.243 ( 2.336 -0.766 -3.921) 4.628 19.869 ( 8.572 5.262 -0.791) 10.089 20.139 ( 6.753 2.352 0.852) 7.201 21.208 ( -8.082 2.011 1.150) 8.407 21.404 ( -6.196 -0.142 -1.375) 6.348 22.757 ( -5.539 -4.741 0.399) 7.302 23.202 ( -3.041 -5.466 -1.206) 6.370 27.858 ( 0.383 -0.473 -2.936) 2.998 28.130 ( -2.840 3.684 3.577) 5.868 29.639 ( 1.195 3.775 2.495) 4.680 29.759 ( 2.527 1.950 -1.202) 3.410 29.913 ( 4.111 3.363 -0.730) 5.361 30.067 ( 0.434 -1.726 -0.444) 1.834 31.021 ( 3.868 0.039 -1.153) 4.036 31.144 ( 1.378 1.509 1.776) 2.707 31.305 ( -1.678 -5.158 1.299) 5.577 31.430 ( -2.857 -11.408 -2.034) 11.935 31.815 ( 1.091 0.325 0.898) 1.450 31.895 ( -2.812 2.794 -1.949) 4.418 32.027 ( -4.511 0.185 -1.922) 4.907 32.220 ( 2.552 -0.740 1.951) 3.296 32.573 ( 4.802 -0.506 1.246) 4.987 32.602 ( 6.697 0.035 -4.038) 7.821 32.761 ( 1.709 0.796 2.911) 3.469 33.356 ( -4.020 3.586 -4.714) 7.159 34.437 ( 3.409 -2.300 -2.931) 5.050 34.535 ( -1.377 -8.626 -1.776) 8.914 34.608 ( -5.671 0.966 7.771) 9.669 35.397 ( -10.545 -2.896 1.942) 11.107 36.028 ( 6.794 8.061 0.816) 10.574 36.252 ( 13.336 2.853 -4.055) 14.228 36.628 ( -0.100 15.143 5.340) 16.057 37.359 ( -10.127 5.227 -0.383) 11.403 ======================= Grid point 23 (17/95) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 10.277 -9.173 -2.110) 13.936 1.851 ( 0.405 -9.596 7.933) 12.457 2.109 ( -1.611 -3.578 -1.238) 4.114 2.203 ( 6.150 5.621 2.917) 8.827 2.425 ( 1.279 -5.503 -5.589) 7.947 2.666 ( 1.288 14.921 -0.809) 14.998 2.740 ( 2.166 5.201 -7.427) 9.322 2.943 ( -1.807 -4.414 1.069) 4.888 3.138 ( 0.312 -7.273 4.690) 8.660 3.211 ( 7.009 7.571 0.839) 10.351 3.423 ( -0.302 1.787 3.184) 3.663 3.506 ( -2.039 -2.839 0.103) 3.497 3.632 ( -5.694 0.581 -3.226) 6.570 3.800 ( 1.945 -3.886 5.635) 7.116 4.017 ( -1.173 4.186 1.833) 4.718 4.132 ( -1.177 -6.706 -5.588) 8.808 4.180 ( 0.179 -5.813 -2.982) 6.536 4.253 ( -4.004 1.419 -2.966) 5.181 4.394 ( -6.950 -0.793 4.948) 8.568 4.438 ( -3.783 0.338 -1.170) 3.974 4.566 ( 4.705 -2.430 2.517) 5.864 4.707 ( 3.804 7.852 1.981) 8.947 4.795 ( 1.411 -2.747 -3.835) 4.924 4.870 ( -0.297 -0.314 2.156) 2.199 5.006 ( 1.585 1.815 0.546) 2.470 5.105 ( 3.690 -2.416 -0.480) 4.437 5.133 ( 3.494 -0.996 -4.184) 5.541 5.326 ( 5.330 1.021 2.377) 5.924 5.527 ( 4.581 1.382 -0.171) 4.788 5.692 ( 0.026 -1.566 -2.107) 2.625 5.848 ( 1.996 -2.387 0.504) 3.152 5.978 ( -2.803 -3.974 1.049) 4.975 6.017 ( -5.091 -0.763 -1.632) 5.400 6.290 ( -11.700 -6.320 1.670) 13.402 7.237 ( -1.438 -8.169 -4.247) 9.319 7.366 ( -0.659 -0.608 0.677) 1.123 7.606 ( 2.530 -5.073 -0.764) 5.720 7.744 ( -1.606 6.772 1.579) 7.137 7.836 ( 0.018 -1.603 1.032) 1.906 8.046 ( -0.292 10.561 -0.793) 10.595 8.233 ( 0.692 -10.692 4.447) 11.600 8.383 ( -5.603 -4.949 -0.155) 7.478 8.795 ( 1.895 11.508 -1.575) 11.769 8.943 ( 2.636 2.724 -0.573) 3.834 9.060 ( -0.995 1.304 0.496) 1.713 9.107 ( -2.588 1.634 -0.225) 3.069 9.149 ( -5.469 5.466 0.024) 7.733 9.453 ( 3.584 2.486 2.225) 4.896 9.730 ( -4.128 -4.447 -1.717) 6.306 9.979 ( 0.553 -2.636 3.422) 4.355 10.160 ( -1.983 -1.804 -4.905) 5.590 10.592 ( 0.623 1.841 1.724) 2.598 10.809 ( -2.954 -1.055 -0.116) 3.138 11.020 ( 5.560 -0.766 0.264) 5.618 11.536 ( 5.078 5.629 0.388) 7.591 11.611 ( 0.272 3.823 -0.795) 3.914 11.937 ( -2.385 -1.668 -1.987) 3.524 12.016 ( -2.443 -1.317 2.159) 3.516 12.732 ( -2.035 1.316 2.027) 3.159 12.813 ( 7.179 1.538 -1.350) 7.465 13.053 ( -4.726 -1.502 -1.127) 5.086 13.217 ( -7.693 -0.875 0.270) 7.748 13.635 ( -1.368 1.374 3.262) 3.795 13.733 ( 8.305 0.276 -3.448) 8.996 13.749 ( 1.474 0.370 -1.338) 2.024 14.030 ( -5.544 0.869 3.376) 6.549 14.828 ( 10.682 6.158 -0.720) 12.351 14.840 ( 1.605 -0.303 -2.433) 2.930 14.928 ( 14.905 6.456 -1.951) 16.360 15.190 ( -2.141 -2.523 2.940) 4.427 15.574 ( -0.358 5.746 1.706) 6.005 15.666 ( -5.451 7.515 -0.562) 9.301 15.760 ( 2.996 3.570 -2.659) 5.366 15.836 ( 2.386 5.745 2.179) 6.591 16.523 ( 2.388 -4.883 0.718) 5.483 16.676 ( -1.917 3.315 1.233) 4.023 16.800 ( -0.263 -3.250 -0.224) 3.268 16.984 ( 0.648 -3.785 -0.913) 3.947 16.991 ( -2.248 0.906 0.168) 2.429 17.063 ( -3.127 -2.020 -0.197) 3.728 17.170 ( 0.134 -1.766 1.456) 2.293 17.253 ( 0.983 0.310 -2.831) 3.013 19.841 ( 4.350 5.324 -0.240) 6.879 20.127 ( 3.249 4.749 0.329) 5.763 21.145 ( -4.089 -1.493 0.920) 4.449 21.368 ( -3.636 -1.740 -1.094) 4.176 22.804 ( -3.352 -5.635 0.282) 6.563 23.270 ( -1.048 -4.991 -0.542) 5.129 27.873 ( 0.213 -1.518 -1.119) 1.898 28.051 ( -1.503 4.005 1.474) 4.525 29.606 ( -0.004 1.687 -0.139) 1.693 29.754 ( 0.478 0.231 -0.060) 0.534 29.891 ( 5.257 4.234 0.985) 6.821 30.060 ( -1.503 1.913 -0.697) 2.531 31.042 ( 1.948 0.666 -0.897) 2.245 31.141 ( 1.598 1.391 1.197) 2.433 31.393 ( -0.276 -6.338 2.627) 6.866 31.577 ( -3.436 -9.973 -3.021) 10.972 31.778 ( 3.615 5.091 -0.477) 6.262 31.879 ( -2.098 -1.513 1.109) 2.815 31.987 ( -3.418 -1.992 -2.866) 4.885 32.285 ( 4.768 -1.977 2.840) 5.891 32.601 ( 1.890 1.043 0.394) 2.194 32.635 ( 4.026 0.899 -4.653) 6.218 32.741 ( -0.734 2.895 3.528) 4.622 33.247 ( -3.925 3.737 -2.335) 5.901 34.486 ( 2.878 -0.765 -3.502) 4.597 34.562 ( -3.754 0.685 5.139) 6.401 34.705 ( -0.468 -12.452 -0.206) 12.463 35.332 ( -10.546 -0.699 0.558) 10.584 35.921 ( 3.593 9.568 0.197) 10.222 36.347 ( 15.965 1.120 -2.409) 16.185 36.417 ( 1.639 13.183 2.915) 13.601 37.168 ( -11.510 4.712 -0.060) 12.437 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.175 13.130 -0.026) 13.131 1.990 ( 5.773 5.868 5.963) 10.165 2.071 ( -1.531 5.984 -0.308) 6.185 2.260 ( -2.085 -11.314 -2.884) 11.861 2.390 ( -0.729 13.071 0.787) 13.114 2.502 ( 1.939 -1.315 -2.798) 3.650 2.717 ( 2.321 -6.213 -3.735) 7.612 3.066 ( 1.939 -7.123 1.020) 7.453 3.124 ( 3.272 9.266 -0.018) 9.827 3.206 ( -4.373 2.825 2.039) 5.591 3.347 ( -0.736 6.180 -1.441) 6.388 3.550 ( -1.203 -5.028 -1.606) 5.414 3.655 ( 2.514 -5.152 2.398) 6.214 3.837 ( -2.565 5.121 0.962) 5.808 3.931 ( -2.303 -0.601 0.593) 2.453 4.112 ( -4.047 3.146 1.156) 5.255 4.168 ( 0.960 0.879 -7.141) 7.259 4.277 ( -1.030 -1.117 3.025) 3.385 4.398 ( -1.557 -5.121 -1.721) 5.622 4.422 ( -3.919 -1.966 4.284) 6.130 4.578 ( 1.932 7.403 1.641) 7.825 4.665 ( 1.210 -2.162 2.505) 3.523 4.786 ( -0.256 3.814 -2.675) 4.666 4.915 ( 0.478 -2.405 -0.636) 2.533 4.945 ( -0.096 2.033 -0.235) 2.048 5.093 ( 0.433 4.988 -1.215) 5.153 5.259 ( 2.614 -9.405 3.589) 10.401 5.376 ( 3.682 3.555 -1.812) 5.429 5.549 ( 5.033 2.723 -0.888) 5.791 5.762 ( -0.286 -7.419 -1.764) 7.631 5.898 ( 3.419 -0.173 -1.245) 3.642 5.968 ( 0.659 -2.219 -0.112) 2.318 6.077 ( 0.528 -6.175 2.476) 6.674 6.301 ( -10.676 -7.458 0.296) 13.026 7.280 ( -1.072 -1.480 -1.059) 2.112 7.466 ( 0.612 -8.397 -0.445) 8.431 7.592 ( -0.383 8.594 1.275) 8.697 7.747 ( 2.484 -6.967 -2.116) 7.694 7.866 ( 0.648 7.422 -0.095) 7.451 7.918 ( -0.216 -5.043 2.393) 5.586 8.393 ( -2.013 -6.202 -1.636) 6.722 8.474 ( -0.600 -10.998 3.384) 11.523 8.587 ( 0.262 13.157 -1.839) 13.287 8.872 ( -3.047 5.615 0.214) 6.392 8.979 ( 0.720 4.165 -0.649) 4.276 9.017 ( -2.004 4.594 0.449) 5.032 9.166 ( 0.018 -4.687 -0.937) 4.780 9.468 ( 2.661 -0.766 1.502) 3.150 9.810 ( -0.558 -7.619 -0.594) 7.663 10.035 ( 0.357 -2.383 1.281) 2.729 10.188 ( 0.705 -3.457 -2.334) 4.231 10.572 ( -0.217 1.286 1.101) 1.707 10.804 ( -1.873 -1.298 -0.209) 2.288 11.064 ( 4.125 0.908 -0.168) 4.227 11.453 ( 0.962 7.543 0.812) 7.647 11.494 ( -3.192 7.305 -0.855) 8.017 11.961 ( -0.334 -3.174 -1.205) 3.412 12.040 ( -0.516 -2.505 1.344) 2.889 12.732 ( 0.631 -0.959 1.757) 2.099 12.870 ( 7.388 -0.396 -2.444) 7.792 13.017 ( -6.498 0.146 -0.168) 6.501 13.176 ( -5.256 -2.788 1.455) 6.125 13.616 ( 0.093 1.002 1.197) 1.564 13.741 ( 0.337 1.257 0.016) 1.301 13.798 ( 6.979 0.612 -2.969) 7.609 13.991 ( -4.703 -1.969 1.939) 5.455 14.807 ( 10.498 8.089 -0.999) 13.290 14.869 ( 1.526 -1.588 -0.629) 2.290 14.954 ( 13.099 6.252 -0.858) 14.540 15.169 ( -8.153 1.398 1.948) 8.498 15.425 ( -6.294 9.188 -0.136) 11.138 15.482 ( -4.720 6.582 0.295) 8.105 15.686 ( -1.325 4.871 -1.599) 5.296 15.732 ( 0.922 8.646 1.397) 8.806 16.561 ( 1.373 3.486 -1.188) 3.931 16.666 ( -0.603 -4.044 1.764) 4.453 16.854 ( 0.865 -2.653 -0.670) 2.870 16.946 ( -1.227 1.752 -0.207) 2.149 17.023 ( -0.944 -0.635 -0.157) 1.149 17.107 ( -0.813 -5.225 1.590) 5.522 17.199 ( 1.054 -0.437 0.658) 1.317 17.235 ( -0.796 0.971 -1.798) 2.193 19.780 ( 1.004 4.497 -0.020) 4.608 20.055 ( 0.519 5.632 0.074) 5.657 21.185 ( -0.475 -5.018 0.463) 5.062 21.388 ( -1.100 -3.548 -0.611) 3.764 22.878 ( -1.215 -5.696 0.201) 5.828 23.336 ( 0.036 -3.434 -0.153) 3.438 27.893 ( -0.065 -0.135 -0.272) 0.311 27.994 ( -0.427 1.142 0.330) 1.263 29.571 ( -0.192 2.518 -1.089) 2.751 29.753 ( -0.394 0.185 0.275) 0.515 29.877 ( 4.414 3.883 1.261) 6.012 29.992 ( -3.091 2.112 -0.355) 3.760 31.032 ( 0.355 1.353 -0.537) 1.499 31.127 ( 0.764 1.904 0.506) 2.113 31.510 ( 0.992 -5.223 1.473) 5.517 31.646 ( -1.625 -1.753 -1.679) 2.921 31.783 ( 3.820 -2.076 -1.105) 4.486 31.854 ( -3.564 0.211 1.360) 3.820 32.040 ( 0.006 -5.786 -1.301) 5.930 32.367 ( 4.731 -0.070 2.312) 5.266 32.582 ( 0.332 2.516 -0.253) 2.550 32.596 ( -2.919 3.357 -1.851) 4.819 32.733 ( 4.237 -1.372 1.491) 4.696 33.130 ( -4.955 5.299 -0.938) 7.315 34.479 ( 0.210 2.228 -1.237) 2.557 34.562 ( -0.666 -2.014 1.278) 2.477 34.926 ( 1.906 -12.550 0.707) 12.714 35.225 ( -8.135 2.805 -0.552) 8.623 35.815 ( 2.530 6.157 -0.002) 6.656 36.209 ( -0.409 12.156 -0.522) 12.174 36.523 ( 15.891 -4.066 0.545) 16.413 37.000 ( -12.520 1.673 0.051) 12.631 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.000 19.741 -0.000) 19.741 1.749 ( -0.000 23.030 -0.000) 23.030 1.896 ( -0.000 9.347 -0.000) 9.347 2.321 ( 0.000 -0.544 0.000) 0.544 2.350 ( -0.000 7.050 -0.000) 7.050 2.598 ( 0.000 -13.708 0.000) 13.708 2.839 ( 0.000 -0.678 0.000) 0.678 2.940 ( -0.000 13.274 -0.000) 13.274 3.125 ( -0.000 0.150 -0.000) 0.150 3.131 ( -0.000 8.279 -0.000) 8.279 3.226 ( 0.000 -2.511 0.000) 2.511 3.633 ( 0.000 -3.068 0.000) 3.068 3.676 ( -0.000 7.007 -0.000) 7.007 3.760 ( 0.000 -3.771 0.000) 3.771 3.959 ( 0.000 -0.371 0.000) 0.371 4.051 ( -0.000 1.567 -0.000) 1.567 4.185 ( 0.000 -3.216 0.000) 3.216 4.236 ( -0.000 4.284 -0.000) 4.284 4.402 ( -0.000 1.807 -0.000) 1.807 4.494 ( 0.000 -4.347 0.000) 4.347 4.523 ( -0.000 2.418 -0.000) 2.418 4.644 ( -0.000 3.030 -0.000) 3.030 4.680 ( -0.000 6.334 -0.000) 6.334 4.936 ( -0.000 0.001 -0.000) 0.001 4.991 ( -0.000 7.063 -0.000) 7.063 5.013 ( 0.000 -8.772 0.000) 8.772 5.247 ( -0.000 9.746 -0.000) 9.746 5.451 ( 0.000 -7.552 0.000) 7.552 5.501 ( -0.000 4.721 -0.000) 4.721 5.827 ( 0.000 -2.141 0.000) 2.141 5.989 ( 0.000 -7.783 0.000) 7.783 6.047 ( 0.000 -4.208 0.000) 4.208 6.222 ( 0.000 -8.876 0.000) 8.876 6.374 ( 0.000 -8.899 0.000) 8.899 7.300 ( 0.000 -1.751 0.000) 1.751 7.449 ( -0.000 7.694 -0.000) 7.694 7.590 ( 0.000 -5.488 0.000) 5.488 7.757 ( -0.000 4.433 -0.000) 4.433 7.877 ( 0.000 -7.087 0.000) 7.087 8.075 ( 0.000 -11.397 0.000) 11.397 8.333 ( -0.000 13.974 -0.000) 13.974 8.472 ( 0.000 -3.750 0.000) 3.750 8.697 ( 0.000 -12.484 0.000) 12.484 8.778 ( -0.000 2.003 -0.000) 2.003 8.910 ( -0.000 5.515 -0.000) 5.515 8.933 ( -0.000 3.479 -0.000) 3.479 9.247 ( 0.000 -5.319 0.000) 5.319 9.542 ( 0.000 -5.751 0.000) 5.751 9.943 ( 0.000 -7.887 0.000) 7.887 10.077 ( 0.000 -2.529 0.000) 2.529 10.246 ( 0.000 -2.328 0.000) 2.328 10.555 ( -0.000 0.711 -0.000) 0.711 10.815 ( 0.000 -0.949 0.000) 0.949 11.067 ( -0.000 1.313 -0.000) 1.313 11.327 ( -0.000 7.539 -0.000) 7.539 11.338 ( -0.000 8.293 -0.000) 8.293 12.022 ( 0.000 -4.208 0.000) 4.208 12.095 ( 0.000 -3.993 0.000) 3.993 12.771 ( 0.000 -2.538 0.000) 2.538 12.943 ( 0.000 -0.201 0.000) 0.201 12.949 ( 0.000 -2.044 0.000) 2.044 13.214 ( 0.000 -3.324 0.000) 3.324 13.609 ( -0.000 0.275 -0.000) 0.275 13.717 ( -0.000 1.735 -0.000) 1.735 13.800 ( -0.000 2.060 -0.000) 2.060 14.031 ( 0.000 -3.938 0.000) 3.938 14.727 ( -0.000 9.203 -0.000) 9.203 14.906 ( 0.000 -1.230 0.000) 1.230 14.925 ( -0.000 6.846 -0.000) 6.846 15.017 ( -0.000 7.853 -0.000) 7.853 15.198 ( -0.000 10.248 -0.000) 10.248 15.396 ( -0.000 2.400 -0.000) 2.400 15.585 ( -0.000 9.182 -0.000) 9.182 15.594 ( -0.000 4.721 -0.000) 4.721 16.511 ( -0.000 2.163 -0.000) 2.163 16.722 ( 0.000 -1.880 0.000) 1.880 16.877 ( -0.000 1.051 -0.000) 1.051 16.928 ( 0.000 -1.019 0.000) 1.019 17.021 ( 0.000 -0.114 0.000) 0.114 17.177 ( 0.000 -1.282 0.000) 1.282 17.187 ( -0.000 2.440 -0.000) 2.440 17.233 ( 0.000 -2.654 0.000) 2.654 19.722 ( -0.000 2.895 -0.000) 2.895 19.967 ( -0.000 4.731 -0.000) 4.731 21.282 ( 0.000 -6.147 0.000) 6.147 21.451 ( 0.000 -4.341 0.000) 4.341 22.966 ( 0.000 -5.252 0.000) 5.252 23.379 ( 0.000 -1.618 0.000) 1.618 27.863 ( -0.000 2.690 -0.000) 2.690 28.017 ( 0.000 -3.311 0.000) 3.311 29.508 ( -0.000 4.605 -0.000) 4.605 29.729 ( -0.000 2.890 -0.000) 2.890 29.846 ( -0.000 1.472 -0.000) 1.472 29.968 ( 0.000 -0.904 0.000) 0.904 31.005 ( -0.000 1.963 -0.000) 1.963 31.099 ( -0.000 1.780 -0.000) 1.780 31.562 ( 0.000 -0.821 0.000) 0.821 31.620 ( -0.000 3.831 -0.000) 3.831 31.860 ( 0.000 -4.440 0.000) 4.440 31.877 ( 0.000 -4.914 0.000) 4.914 32.135 ( 0.000 -5.006 0.000) 5.006 32.364 ( -0.000 2.852 -0.000) 2.852 32.496 ( -0.000 4.942 -0.000) 4.942 32.534 ( -0.000 3.582 -0.000) 3.582 32.874 ( 0.000 -9.347 0.000) 9.347 32.964 ( -0.000 9.365 -0.000) 9.365 34.433 ( -0.000 2.887 -0.000) 2.887 34.605 ( 0.000 -3.096 0.000) 3.096 35.075 ( -0.000 8.745 -0.000) 8.745 35.153 ( 0.000 -11.264 0.000) 11.264 35.760 ( -0.000 2.335 -0.000) 2.335 36.028 ( -0.000 8.129 -0.000) 8.129 36.778 ( 0.000 -13.463 0.000) 13.463 36.891 ( -0.000 0.534 -0.000) 0.534 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 11.085 -0.000 4.220) 11.861 1.126 ( 10.884 -0.000 -3.432) 11.412 2.005 ( 3.197 -0.000 -0.320) 3.213 2.038 ( 4.671 -0.000 3.803) 6.023 2.620 ( 17.196 -0.000 8.490) 19.178 2.787 ( -2.440 0.000 0.876) 2.593 2.823 ( -0.074 0.000 -10.551) 10.552 2.953 ( -1.821 0.000 1.788) 2.552 3.254 ( 5.084 -0.000 4.404) 6.727 3.384 ( 3.362 -0.000 3.847) 5.109 3.460 ( 6.793 -0.000 2.283) 7.166 3.492 ( -0.683 0.000 7.131) 7.164 3.588 ( -3.892 0.000 -8.687) 9.519 3.636 ( -6.013 0.000 -3.330) 6.873 3.770 ( -0.624 0.000 0.669) 0.915 3.959 ( -7.195 0.000 -10.775) 12.957 4.086 ( 2.171 -0.000 -1.871) 2.866 4.255 ( 0.916 -0.000 -4.279) 4.376 4.332 ( 10.082 -0.000 5.803) 11.632 4.415 ( 10.075 -0.000 -0.610) 10.093 4.621 ( -1.623 0.000 -2.585) 3.052 4.641 ( 4.546 -0.000 0.778) 4.612 4.804 ( 3.887 -0.000 4.161) 5.694 4.826 ( -1.119 0.000 5.278) 5.395 4.970 ( 6.009 -0.000 -8.878) 10.721 5.136 ( 0.994 -0.000 3.339) 3.484 5.259 ( 0.621 -0.000 -3.437) 3.493 5.394 ( -2.055 0.000 -1.186) 2.372 5.596 ( -5.150 0.000 0.234) 5.156 5.654 ( 1.083 -0.000 -0.330) 1.132 5.828 ( -4.472 0.000 -0.090) 4.473 5.829 ( 2.175 -0.000 1.441) 2.609 5.994 ( -5.955 0.000 0.593) 5.984 6.043 ( -14.775 0.000 -0.004) 14.775 6.985 ( -8.507 0.000 -6.663) 10.806 7.438 ( -0.295 0.000 0.154) 0.332 7.592 ( -0.581 0.000 -0.414) 0.714 7.803 ( -1.125 0.000 8.814) 8.886 7.859 ( -1.395 0.000 2.765) 3.097 7.926 ( -4.835 0.000 2.380) 5.389 8.279 ( -2.206 0.000 0.691) 2.312 8.462 ( 1.004 -0.000 -3.044) 3.206 8.896 ( 1.432 -0.000 -1.723) 2.240 8.998 ( 6.775 -0.000 -0.212) 6.779 9.189 ( 0.610 -0.000 4.241) 4.285 9.262 ( -3.870 0.000 4.203) 5.713 9.369 ( 1.270 -0.000 -2.995) 3.253 9.539 ( -9.135 0.000 -0.765) 9.167 9.788 ( -8.260 0.000 -2.311) 8.577 9.903 ( -4.990 0.000 6.270) 8.013 10.145 ( -2.730 0.000 -6.395) 6.954 10.683 ( 4.644 -0.000 -0.264) 4.652 10.818 ( 0.285 -0.000 -0.132) 0.314 10.854 ( 2.105 -0.000 2.929) 3.607 11.568 ( 10.243 -0.000 3.996) 10.995 11.572 ( 10.020 -0.000 -4.525) 10.994 11.997 ( -5.509 0.000 -1.464) 5.700 12.019 ( -6.802 0.000 1.594) 6.986 12.848 ( -4.913 0.000 2.011) 5.308 12.990 ( -4.477 0.000 0.176) 4.480 13.020 ( -5.079 0.000 2.190) 5.531 13.160 ( 1.708 -0.000 -5.199) 5.472 13.682 ( -1.043 0.000 -6.232) 6.318 13.714 ( 8.287 -0.000 -6.193) 10.346 13.783 ( 0.340 -0.000 6.963) 6.971 14.119 ( -8.191 0.000 10.202) 13.084 14.844 ( 1.016 -0.000 -3.271) 3.425 14.962 ( 13.965 -0.000 0.590) 13.977 14.964 ( 12.226 -0.000 -4.293) 12.958 15.024 ( 0.440 -0.000 1.557) 1.617 15.667 ( 15.528 -0.000 -2.869) 15.791 15.819 ( 6.592 -0.000 3.939) 7.680 15.821 ( 10.514 -0.000 -1.494) 10.620 16.087 ( -8.466 0.000 1.294) 8.565 16.367 ( -6.685 0.000 2.368) 7.092 16.631 ( -2.027 0.000 -0.197) 2.036 16.810 ( 1.132 -0.000 -0.179) 1.146 16.869 ( 1.428 -0.000 -1.828) 2.320 16.953 ( -3.854 0.000 2.411) 4.546 17.101 ( -3.463 0.000 -0.456) 3.493 17.104 ( 0.429 -0.000 -1.854) 1.903 17.222 ( 3.792 -0.000 -5.276) 6.497 20.022 ( 12.226 -0.000 -4.282) 12.955 20.160 ( 9.236 -0.000 3.279) 9.801 21.260 ( -10.852 0.000 1.876) 11.013 21.399 ( -7.403 0.000 -1.689) 7.593 22.669 ( -5.655 0.000 0.831) 5.716 23.074 ( -4.599 0.000 -2.067) 5.042 27.857 ( -0.084 0.000 -5.170) 5.171 28.192 ( -4.147 0.000 5.884) 7.198 29.850 ( 1.715 -0.000 3.404) 3.812 29.863 ( 7.669 -0.000 -1.824) 7.883 29.912 ( -0.953 0.000 2.473) 2.651 29.924 ( -2.104 0.000 -5.095) 5.512 31.047 ( 0.276 -0.000 0.096) 0.292 31.109 ( 7.931 -0.000 -3.952) 8.861 31.214 ( 0.242 -0.000 0.118) 0.269 31.224 ( -1.639 0.000 4.071) 4.389 31.770 ( -3.231 0.000 -1.100) 3.413 31.988 ( -7.933 0.000 -0.181) 7.935 32.050 ( 0.782 -0.000 -0.289) 0.834 32.204 ( 2.361 -0.000 0.186) 2.368 32.562 ( 8.327 -0.000 2.524) 8.702 32.596 ( 6.478 -0.000 -5.419) 8.446 32.763 ( 3.759 -0.000 3.378) 5.054 33.424 ( -5.444 0.000 -6.100) 8.176 34.339 ( -1.375 0.000 -0.946) 1.669 34.433 ( 4.014 -0.000 -5.083) 6.477 34.630 ( -7.009 0.000 10.355) 12.505 35.335 ( -7.875 0.000 1.894) 8.100 36.174 ( 9.537 -0.000 1.689) 9.686 36.304 ( 12.679 -0.000 -7.669) 14.818 36.978 ( -11.151 0.000 11.325) 15.893 37.436 ( -7.028 0.000 -2.293) 7.393 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 8.158 -15.931 0.321) 17.901 1.296 ( 5.961 -11.928 -0.805) 13.359 2.034 ( 1.895 -0.576 4.753) 5.149 2.133 ( 1.321 -6.496 -2.346) 7.032 2.602 ( 2.482 10.341 1.612) 10.756 2.810 ( -5.932 -1.876 -2.751) 6.803 2.838 ( 13.053 1.265 0.166) 13.115 2.930 ( -0.538 1.327 1.997) 2.457 3.296 ( 1.147 1.478 3.336) 3.825 3.376 ( 0.767 4.848 1.993) 5.298 3.421 ( 4.604 6.004 -1.688) 7.752 3.515 ( -0.781 0.458 1.614) 1.850 3.579 ( -3.796 -3.996 -0.322) 5.521 3.634 ( -0.325 -3.229 4.873) 5.855 3.818 ( -3.176 -5.524 -2.207) 6.744 3.936 ( -2.976 -8.537 -8.106) 12.143 4.095 ( -0.583 -0.697 -2.899) 3.039 4.259 ( 2.522 -0.116 -4.616) 5.262 4.396 ( 2.500 0.973 2.240) 3.495 4.507 ( -0.159 2.403 -1.939) 3.091 4.580 ( 7.762 -0.372 0.202) 7.774 4.702 ( 3.320 -0.957 0.975) 3.591 4.813 ( 1.572 3.033 2.699) 4.354 4.883 ( 2.030 -1.629 4.622) 5.304 5.022 ( 5.231 -1.534 0.341) 5.462 5.127 ( 4.583 1.016 -5.170) 6.983 5.186 ( 4.614 6.086 -1.905) 7.872 5.360 ( -9.309 0.144 3.442) 9.926 5.592 ( -6.860 0.950 -3.058) 7.571 5.671 ( 3.898 0.367 2.399) 4.592 5.752 ( 0.344 -1.616 -0.960) 1.911 5.858 ( -1.528 0.333 1.012) 1.863 5.934 ( -2.854 -4.487 -1.948) 5.663 6.064 ( -9.904 -7.904 1.024) 12.713 6.945 ( -5.478 -5.719 -4.559) 9.138 7.439 ( 0.186 -0.051 -1.249) 1.264 7.535 ( -1.398 3.522 1.637) 4.128 7.822 ( -2.357 0.423 3.075) 3.897 7.884 ( -3.451 0.707 0.142) 3.526 7.913 ( -0.590 -7.469 5.652) 9.385 8.261 ( -1.061 0.802 0.339) 1.373 8.418 ( 1.377 5.703 -2.250) 6.283 8.920 ( 1.139 -2.040 -2.644) 3.528 9.043 ( 7.353 2.704 -0.345) 7.842 9.147 ( -2.651 5.609 2.198) 6.582 9.212 ( -3.108 1.469 2.540) 4.274 9.360 ( -1.793 4.105 0.172) 4.483 9.467 ( -2.657 -1.424 -0.532) 3.061 9.694 ( -6.802 1.615 -1.945) 7.257 9.902 ( -2.096 -2.125 6.478) 7.133 10.106 ( -3.682 -1.109 -6.527) 7.576 10.681 ( 2.234 2.985 0.553) 3.769 10.808 ( -1.318 0.980 0.621) 1.756 10.935 ( 4.780 -3.834 0.694) 6.167 11.650 ( 9.273 0.976 -1.895) 9.515 11.666 ( 7.932 0.153 0.933) 7.988 11.928 ( -5.426 1.107 -0.466) 5.557 11.973 ( -5.962 -1.220 1.086) 6.181 12.792 ( -4.584 1.772 2.271) 5.414 12.920 ( 0.572 3.173 0.121) 3.226 12.998 ( -5.144 -1.685 -0.607) 5.447 13.177 ( -0.844 -1.231 -2.740) 3.120 13.658 ( -0.890 0.221 -2.549) 2.709 13.769 ( 7.923 0.839 -6.636) 10.369 13.788 ( 1.830 1.819 4.651) 5.319 14.062 ( -8.311 0.588 8.136) 11.646 14.836 ( 0.203 0.252 -2.683) 2.703 14.997 ( 7.520 3.552 -0.334) 8.324 15.045 ( 8.083 0.753 -5.135) 9.605 15.111 ( 5.061 -2.062 4.409) 7.022 15.747 ( 8.359 3.564 -1.071) 9.150 15.847 ( 5.243 2.752 -0.831) 5.980 15.927 ( 7.223 -0.028 1.902) 7.469 15.954 ( -4.891 6.774 0.827) 8.397 16.351 ( -2.643 -3.410 1.544) 4.583 16.655 ( -2.140 -4.416 0.497) 4.932 16.799 ( 0.209 2.585 0.210) 2.602 16.872 ( 0.309 -0.822 -1.005) 1.335 16.963 ( -2.166 -2.900 2.054) 4.163 17.058 ( -2.827 0.949 -1.710) 3.437 17.110 ( -0.387 -1.117 -0.028) 1.183 17.246 ( 2.623 -0.568 -3.675) 4.551 20.061 ( 10.136 6.294 -2.320) 12.154 20.242 ( 6.877 1.325 1.849) 7.243 21.155 ( -9.323 1.093 1.779) 9.554 21.332 ( -6.143 -0.578 -1.675) 6.393 22.649 ( -3.761 -2.659 0.578) 4.642 23.076 ( -3.023 -4.959 -1.388) 5.971 27.845 ( -0.192 -0.208 -2.692) 2.707 28.158 ( -2.924 1.668 3.555) 4.896 29.743 ( -0.261 7.224 0.984) 7.295 29.835 ( 1.797 4.674 -0.808) 5.072 29.959 ( 1.596 -2.294 0.673) 2.874 30.016 ( 2.135 -4.584 -1.600) 5.304 31.055 ( 1.946 -0.189 -0.202) 1.965 31.187 ( 1.085 1.620 1.260) 2.321 31.219 ( 3.451 -4.898 -1.902) 6.286 31.268 ( -1.670 -4.581 1.161) 5.013 31.765 ( -1.923 -2.735 -0.398) 3.367 31.905 ( -6.348 1.000 -0.421) 6.440 32.028 ( 0.263 2.815 -0.645) 2.900 32.231 ( 1.920 -0.689 0.806) 2.193 32.630 ( 5.301 0.397 -2.463) 5.858 32.649 ( 6.720 -0.087 -1.042) 6.801 32.797 ( 1.318 0.552 4.081) 4.324 33.340 ( -5.383 1.569 -4.240) 7.030 34.373 ( -0.227 -5.159 -0.637) 5.203 34.464 ( 3.627 -1.015 -4.809) 6.108 34.591 ( -5.760 0.549 8.096) 9.951 35.284 ( -6.637 -1.257 0.934) 6.819 36.212 ( 6.513 5.801 0.901) 8.768 36.392 ( 12.073 0.776 -5.563) 13.316 36.829 ( -6.378 8.767 7.650) 13.269 37.341 ( -7.378 3.463 -1.399) 8.270 ======================= Grid point 32 (22/95) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 7.471 -16.156 -3.627) 18.166 1.607 ( -1.239 -18.524 3.974) 18.986 2.080 ( 1.345 -0.619 4.271) 4.520 2.262 ( -0.389 -10.046 -4.933) 11.199 2.456 ( 6.414 12.232 2.390) 14.016 2.699 ( -9.556 3.568 -4.993) 11.357 2.934 ( 1.626 1.766 0.849) 2.546 2.950 ( 9.274 0.177 2.677) 9.654 3.135 ( -1.186 10.369 0.547) 10.451 3.343 ( -2.407 1.194 0.483) 2.730 3.423 ( 4.172 0.893 1.470) 4.513 3.501 ( 0.351 1.272 -0.726) 1.506 3.573 ( -3.911 -0.652 -0.211) 3.970 3.731 ( -0.031 -6.558 3.415) 7.394 3.923 ( -1.723 -10.663 -0.878) 10.837 4.061 ( -1.700 -4.722 2.284) 5.514 4.078 ( -0.010 -1.930 -6.926) 7.190 4.272 ( 2.678 0.721 -2.888) 4.004 4.376 ( -2.077 1.297 2.653) 3.610 4.419 ( -3.246 4.219 -1.186) 5.453 4.628 ( 2.951 3.617 2.825) 5.456 4.748 ( 3.794 -2.502 -3.743) 5.888 4.784 ( -0.137 -0.139 1.364) 1.378 4.932 ( 2.090 -0.108 3.783) 4.323 5.009 ( -2.302 6.061 -2.467) 6.937 5.154 ( 5.011 0.832 -5.183) 7.257 5.183 ( 3.904 2.650 3.549) 5.904 5.344 ( 3.088 -4.650 2.211) 6.004 5.505 ( -6.504 -2.025 -1.858) 7.061 5.710 ( 3.637 1.391 2.467) 4.610 5.823 ( 3.000 -4.264 -4.088) 6.625 5.871 ( -2.751 -4.089 2.490) 5.522 5.957 ( -2.969 -1.357 -1.375) 3.542 6.096 ( -7.649 -5.772 1.232) 9.662 7.044 ( -1.570 -10.626 -2.519) 11.033 7.397 ( -0.331 3.871 -0.256) 3.893 7.541 ( 0.491 -4.126 0.407) 4.175 7.805 ( -2.537 0.181 6.975) 7.425 7.829 ( -0.151 2.936 -5.762) 6.468 8.075 ( 0.134 -10.214 3.160) 10.692 8.213 ( 0.195 6.437 0.148) 6.442 8.314 ( -1.478 3.544 -0.963) 3.959 8.956 ( 3.244 2.381 -3.324) 5.220 9.014 ( -4.275 2.630 1.973) 5.393 9.051 ( 6.490 4.368 -0.657) 7.851 9.156 ( -1.163 4.243 1.309) 4.590 9.209 ( -6.651 6.875 0.924) 9.610 9.501 ( 2.168 -0.605 -0.165) 2.257 9.627 ( -4.172 -1.492 -1.108) 4.567 9.969 ( 2.253 -2.999 6.448) 7.460 10.075 ( -3.982 -2.006 -6.427) 7.823 10.648 ( 1.201 3.077 0.880) 3.418 10.778 ( -1.777 0.408 -0.100) 1.826 11.035 ( 3.413 -2.881 0.234) 4.473 11.672 ( 4.015 4.631 1.108) 6.228 11.697 ( 4.611 3.942 -2.217) 6.459 11.879 ( -3.783 -1.251 -0.012) 3.984 11.960 ( -3.341 -2.506 0.893) 4.271 12.738 ( -1.522 1.333 1.276) 2.391 12.901 ( 2.436 1.466 -0.061) 2.844 12.997 ( 0.113 -2.171 -0.965) 2.379 13.142 ( -5.730 1.188 -0.769) 5.902 13.641 ( -0.952 0.373 0.496) 1.136 13.772 ( 1.138 1.129 -0.150) 1.610 13.827 ( 9.334 1.366 -3.694) 10.130 13.988 ( -8.588 1.000 5.073) 10.025 14.832 ( 0.268 -0.266 -1.274) 1.329 15.007 ( 7.411 3.994 -0.713) 8.449 15.084 ( 4.379 -0.155 -4.302) 6.141 15.163 ( 0.800 0.833 4.636) 4.778 15.708 ( 3.014 7.082 0.343) 7.704 15.764 ( -2.912 8.619 -0.116) 9.099 15.841 ( 1.395 4.408 -0.578) 4.660 15.954 ( 3.112 3.728 0.884) 4.936 16.433 ( 0.259 -6.786 0.724) 6.830 16.722 ( -0.619 -3.728 0.867) 3.877 16.736 ( -0.999 3.235 -0.412) 3.410 16.910 ( -0.048 -3.896 -0.618) 3.945 16.990 ( -0.700 -0.452 2.527) 2.660 17.019 ( -1.750 -0.172 -2.583) 3.125 17.135 ( -0.406 -2.269 0.646) 2.394 17.262 ( 1.169 0.007 -1.799) 2.146 20.002 ( 4.633 8.357 -0.651) 9.577 20.242 ( 3.017 4.640 0.568) 5.563 21.086 ( -4.397 -0.765 0.876) 4.548 21.302 ( -3.005 -1.662 -0.883) 3.546 22.687 ( -1.959 -4.905 0.250) 5.288 23.157 ( -1.079 -6.777 -0.532) 6.883 27.849 ( -0.061 -1.031 -0.884) 1.359 28.104 ( -1.226 3.209 1.257) 3.658 29.649 ( -0.202 3.922 0.153) 3.930 29.783 ( 0.656 2.648 -0.304) 2.745 29.991 ( 3.195 1.171 1.453) 3.700 30.060 ( -0.775 0.069 -1.507) 1.696 31.072 ( 1.530 0.526 -0.220) 1.632 31.181 ( 1.289 1.366 0.644) 1.986 31.297 ( -0.487 -5.173 1.661) 5.455 31.383 ( -0.606 -9.006 -2.030) 9.252 31.810 ( -2.000 -3.312 0.011) 3.869 31.854 ( -0.089 -0.148 0.295) 0.342 31.965 ( -1.158 3.751 -1.221) 4.111 32.277 ( 1.766 -2.715 1.092) 3.418 32.651 ( 2.996 1.301 -1.557) 3.618 32.677 ( 2.452 1.956 -1.407) 3.438 32.789 ( -0.172 2.114 2.801) 3.513 33.260 ( -2.912 2.157 -1.817) 4.054 34.482 ( 2.910 -4.105 -3.210) 5.969 34.519 ( 0.545 -6.955 -1.348) 7.105 34.552 ( -4.247 0.809 5.746) 7.191 35.249 ( -4.589 -0.669 0.251) 4.644 36.114 ( 2.190 10.041 0.053) 10.277 36.479 ( 10.195 0.168 -2.926) 10.608 36.645 ( -1.407 11.150 3.976) 11.921 37.175 ( -7.056 7.163 -0.525) 10.069 ======================= Grid point 33 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 -3.607 0.000) 3.607 1.892 ( 0.000 -19.307 0.000) 19.307 2.079 ( -0.000 1.343 -0.000) 1.343 2.286 ( -0.000 11.834 -0.000) 11.834 2.435 ( 0.000 -7.986 0.000) 7.986 2.597 ( 0.000 -1.524 0.000) 1.524 2.716 ( -0.000 19.555 -0.000) 19.555 3.007 ( 0.000 -1.555 0.000) 1.555 3.148 ( 0.000 -6.059 0.000) 6.059 3.285 ( -0.000 5.973 -0.000) 5.973 3.451 ( 0.000 -1.240 0.000) 1.240 3.451 ( -0.000 2.752 0.000) 2.752 3.586 ( 0.000 -3.582 0.000) 3.582 3.831 ( 0.000 -4.222 0.000) 4.222 3.991 ( -0.000 5.882 -0.000) 5.882 4.110 ( 0.000 -8.815 0.000) 8.815 4.134 ( 0.000 -0.113 0.000) 0.113 4.270 ( -0.000 0.072 -0.000) 0.072 4.309 ( -0.000 1.395 -0.000) 1.395 4.386 ( 0.000 -1.497 0.000) 1.497 4.622 ( 0.000 -1.859 0.000) 1.859 4.753 ( -0.000 8.202 -0.000) 8.202 4.808 ( -0.000 2.830 -0.000) 2.830 4.857 ( 0.000 -4.781 0.000) 4.781 5.019 ( -0.000 1.469 -0.000) 1.469 5.131 ( 0.000 -2.020 0.000) 2.020 5.150 ( -0.000 2.454 -0.000) 2.454 5.451 ( -0.000 1.083 -0.000) 1.083 5.573 ( 0.000 -11.209 0.000) 11.209 5.668 ( -0.000 5.122 -0.000) 5.122 5.922 ( 0.000 -3.710 0.000) 3.710 5.928 ( -0.000 1.456 -0.000) 1.456 5.964 ( 0.000 -8.297 0.000) 8.297 6.137 ( 0.000 -4.706 0.000) 4.706 7.208 ( 0.000 -8.254 0.000) 8.254 7.363 ( 0.000 -1.676 0.000) 1.676 7.638 ( 0.000 -6.351 0.000) 6.351 7.728 ( -0.000 7.093 -0.000) 7.093 7.838 ( 0.000 -3.524 0.000) 3.524 8.045 ( -0.000 11.661 -0.000) 11.661 8.268 ( 0.000 -11.990 0.000) 11.990 8.308 ( 0.000 -3.017 0.000) 3.017 8.805 ( -0.000 11.997 -0.000) 11.997 8.999 ( -0.000 9.499 -0.000) 9.499 9.023 ( -0.000 1.723 -0.000) 1.723 9.080 ( 0.000 -4.550 0.000) 4.550 9.093 ( -0.000 5.120 -0.000) 5.120 9.499 ( -0.000 1.726 -0.000) 1.726 9.677 ( 0.000 -6.594 0.000) 6.594 10.025 ( 0.000 -0.229 0.000) 0.229 10.104 ( 0.000 -5.507 0.000) 5.507 10.607 ( -0.000 2.569 -0.000) 2.569 10.773 ( 0.000 -0.959 0.000) 0.959 11.085 ( 0.000 -0.910 0.000) 0.910 11.586 ( -0.000 7.239 -0.000) 7.239 11.611 ( -0.000 7.436 -0.000) 7.436 11.902 ( 0.000 -3.022 0.000) 3.022 11.994 ( 0.000 -2.792 0.000) 2.792 12.725 ( 0.000 -0.081 0.000) 0.081 12.906 ( 0.000 -0.399 0.000) 0.399 13.032 ( -0.000 4.485 -0.000) 4.485 13.079 ( 0.000 -4.413 0.000) 4.413 13.630 ( -0.000 0.596 -0.000) 0.596 13.761 ( -0.000 0.868 -0.000) 0.868 13.866 ( -0.000 1.776 -0.000) 1.776 13.925 ( 0.000 -0.957 0.000) 0.957 14.845 ( 0.000 -1.307 0.000) 1.307 14.971 ( -0.000 5.391 -0.000) 5.391 15.120 ( 0.000 -1.388 0.000) 1.388 15.123 ( -0.000 4.484 -0.000) 4.484 15.572 ( -0.000 10.674 -0.000) 10.674 15.595 ( -0.000 8.786 -0.000) 8.786 15.763 ( -0.000 5.174 -0.000) 5.174 15.876 ( -0.000 7.163 -0.000) 7.163 16.560 ( 0.000 -7.295 0.000) 7.295 16.646 ( -0.000 5.130 -0.000) 5.130 16.799 ( 0.000 -4.181 0.000) 4.181 16.971 ( -0.000 1.777 -0.000) 1.777 16.987 ( 0.000 -4.541 0.000) 4.541 17.027 ( 0.000 -2.113 0.000) 2.113 17.176 ( 0.000 -2.431 0.000) 2.431 17.254 ( -0.000 1.220 -0.000) 1.220 19.886 ( -0.000 7.289 -0.000) 7.289 20.161 ( -0.000 6.222 -0.000) 6.222 21.106 ( 0.000 -3.605 0.000) 3.605 21.326 ( 0.000 -2.875 0.000) 2.875 22.771 ( 0.000 -6.057 0.000) 6.057 23.259 ( 0.000 -5.686 0.000) 5.686 27.871 ( 0.000 -1.689 0.000) 1.689 28.040 ( -0.000 3.761 -0.000) 3.761 29.603 ( -0.000 1.949 -0.000) 1.949 29.757 ( -0.000 0.833 -0.000) 0.833 29.993 ( -0.000 4.820 -0.000) 4.820 29.998 ( -0.000 1.717 -0.000) 1.717 31.060 ( -0.000 1.547 -0.000) 1.547 31.162 ( -0.000 1.661 -0.000) 1.661 31.410 ( 0.000 -7.313 0.000) 7.313 31.523 ( 0.000 -8.601 0.000) 8.601 31.811 ( -0.000 0.483 -0.000) 0.483 31.878 ( -0.000 4.442 -0.000) 4.442 31.932 ( 0.000 -6.016 0.000) 6.016 32.354 ( 0.000 -4.267 0.000) 4.267 32.628 ( -0.000 3.228 -0.000) 3.228 32.634 ( -0.000 2.729 -0.000) 2.729 32.755 ( -0.000 1.903 -0.000) 1.903 33.195 ( -0.000 4.087 -0.000) 4.087 34.513 ( -0.000 1.738 -0.000) 1.738 34.529 ( 0.000 -1.607 0.000) 1.607 34.707 ( 0.000 -13.316 0.000) 13.316 35.224 ( -0.000 1.041 -0.000) 1.041 35.956 ( -0.000 9.325 -0.000) 9.325 36.436 ( -0.000 13.798 -0.000) 13.798 36.548 ( 0.000 -2.149 0.000) 2.149 37.011 ( -0.000 6.683 -0.000) 6.683 ======================= Grid point 40 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.997 -0.000 1.619) 5.253 1.233 ( 3.177 -0.000 -3.169) 4.487 2.042 ( 1.015 -0.000 -0.073) 1.018 2.092 ( -0.036 0.000 2.481) 2.481 2.687 ( -2.418 0.000 -1.098) 2.656 2.771 ( -0.378 0.000 1.048) 1.114 2.932 ( 5.681 -0.000 -4.511) 7.254 2.956 ( 1.340 -0.000 6.487) 6.624 3.298 ( 0.817 -0.000 0.496) 0.956 3.415 ( -1.229 0.000 2.058) 2.397 3.495 ( -1.996 0.000 -2.972) 3.581 3.540 ( -0.067 0.000 4.933) 4.934 3.553 ( 0.686 -0.000 -0.861) 1.101 3.641 ( 6.612 -0.000 6.014) 8.938 3.748 ( -7.247 0.000 -7.411) 10.365 3.761 ( -0.562 0.000 -3.632) 3.676 4.069 ( -1.296 0.000 -2.453) 2.774 4.270 ( 1.934 -0.000 -2.715) 3.334 4.387 ( -3.092 0.000 -1.501) 3.437 4.587 ( 0.761 -0.000 0.814) 1.115 4.638 ( 9.311 -0.000 1.631) 9.453 4.723 ( 4.238 -0.000 -0.717) 4.298 4.865 ( -1.855 0.000 3.243) 3.736 4.906 ( 2.118 -0.000 3.758) 4.314 5.063 ( 9.427 -0.000 -2.010) 9.639 5.152 ( 0.424 -0.000 -2.653) 2.686 5.236 ( -0.084 0.000 -2.489) 2.490 5.287 ( -9.332 0.000 3.179) 9.859 5.608 ( 2.577 -0.000 -0.189) 2.584 5.653 ( -2.779 0.000 0.828) 2.900 5.764 ( 0.844 -0.000 -1.315) 1.563 5.844 ( 0.489 -0.000 -0.622) 0.791 5.851 ( -5.836 0.000 0.411) 5.850 5.936 ( -1.351 0.000 0.234) 1.371 6.837 ( -3.711 0.000 -2.066) 4.248 7.426 ( -0.623 0.000 -0.092) 0.630 7.576 ( -0.600 0.000 -0.079) 0.605 7.815 ( -0.700 0.000 1.388) 1.555 7.843 ( -1.160 0.000 2.855) 3.081 7.856 ( -2.695 0.000 0.861) 2.829 8.264 ( -0.118 0.000 -0.013) 0.118 8.484 ( 1.635 -0.000 -1.442) 2.180 8.902 ( 0.556 -0.000 -1.426) 1.530 9.142 ( 7.249 -0.000 0.187) 7.251 9.171 ( -3.761 0.000 0.774) 3.840 9.219 ( 1.378 -0.000 0.755) 1.572 9.364 ( -8.803 0.000 0.734) 8.834 9.431 ( 3.057 -0.000 -0.231) 3.066 9.660 ( -4.019 0.000 -0.483) 4.048 9.870 ( -1.785 0.000 4.219) 4.582 10.052 ( -2.286 0.000 -4.648) 5.180 10.722 ( 0.356 -0.000 0.497) 0.611 10.826 ( 0.380 -0.000 0.026) 0.381 10.927 ( 2.844 -0.000 0.496) 2.887 11.737 ( 9.729 -0.000 -3.751) 10.427 11.746 ( 5.988 -0.000 2.214) 6.384 11.889 ( -8.254 0.000 2.603) 8.655 11.901 ( -3.779 0.000 -1.256) 3.983 12.776 ( -3.042 0.000 1.598) 3.437 12.936 ( -1.082 0.000 -0.658) 1.266 12.939 ( -2.828 0.000 -0.056) 2.829 13.171 ( 0.881 -0.000 -1.268) 1.544 13.648 ( -0.174 0.000 -1.958) 1.966 13.820 ( 0.341 -0.000 2.574) 2.596 13.840 ( 8.273 -0.000 -6.598) 10.582 14.011 ( -8.072 0.000 7.901) 11.295 14.833 ( 0.059 -0.000 -1.588) 1.589 15.034 ( 0.506 -0.000 -0.424) 0.660 15.123 ( 5.093 -0.000 -1.389) 5.280 15.159 ( 5.257 -0.000 1.272) 5.409 15.836 ( 4.298 -0.000 -1.722) 4.630 15.927 ( 3.250 -0.000 -1.581) 3.614 15.971 ( 4.329 -0.000 0.128) 4.331 15.977 ( -3.929 0.000 3.730) 5.417 16.304 ( -0.979 0.000 0.664) 1.183 16.597 ( -1.166 0.000 0.010) 1.166 16.827 ( 0.302 -0.000 0.096) 0.317 16.883 ( 0.690 -0.000 -0.849) 1.094 16.911 ( -1.631 0.000 2.708) 3.161 17.038 ( -2.009 0.000 -1.605) 2.572 17.097 ( -0.287 0.000 -0.141) 0.320 17.251 ( 1.447 -0.000 -1.992) 2.462 20.201 ( 6.959 -0.000 -2.276) 7.321 20.312 ( 4.245 -0.000 1.806) 4.613 21.090 ( -6.499 0.000 1.412) 6.650 21.273 ( -3.844 0.000 -1.176) 4.020 22.604 ( -1.724 0.000 0.361) 1.762 23.002 ( -1.796 0.000 -0.853) 1.988 27.834 ( -0.214 0.000 -1.452) 1.467 28.156 ( -1.732 0.000 2.050) 2.684 29.845 ( -1.795 0.000 -0.696) 1.925 29.891 ( 1.680 -0.000 -1.018) 1.965 29.906 ( -1.336 0.000 3.132) 3.405 29.986 ( 3.794 -0.000 -2.110) 4.341 31.051 ( 0.076 -0.000 -0.035) 0.084 31.214 ( 1.169 -0.000 -0.331) 1.215 31.220 ( -0.596 0.000 1.816) 1.911 31.228 ( 3.607 -0.000 -1.030) 3.751 31.723 ( -1.155 0.000 -0.439) 1.236 31.849 ( -4.908 0.000 -0.138) 4.910 32.060 ( 0.270 -0.000 -0.149) 0.309 32.242 ( 1.093 -0.000 0.371) 1.154 32.653 ( 2.583 -0.000 -3.812) 4.605 32.721 ( 5.422 -0.000 1.790) 5.710 32.823 ( 0.599 -0.000 2.794) 2.858 33.293 ( -4.267 0.000 -2.668) 5.033 34.324 ( -0.118 0.000 -0.191) 0.225 34.479 ( 3.456 -0.000 -4.400) 5.595 34.567 ( -4.375 0.000 5.975) 7.406 35.231 ( -3.200 0.000 0.367) 3.221 36.325 ( 4.406 -0.000 1.140) 4.551 36.472 ( 7.708 -0.000 -4.930) 9.149 36.846 ( -6.966 0.000 5.742) 9.027 37.324 ( -3.075 0.000 -1.147) 3.282 ======================= Grid point 41 (25/95) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 -15.777 0.000) 15.777 1.339 ( 0.000 -10.944 0.000) 10.944 2.096 ( 0.000 -0.062 0.000) 0.062 2.102 ( 0.000 -6.473 0.000) 6.473 2.667 ( -0.000 1.124 -0.000) 1.124 2.691 ( -0.000 8.710 -0.000) 8.710 2.933 ( -0.000 0.196 -0.000) 0.196 2.996 ( 0.000 -0.889 0.000) 0.889 3.284 ( -0.000 3.001 -0.000) 3.001 3.391 ( -0.000 7.020 -0.000) 7.020 3.467 ( -0.000 2.240 -0.000) 2.240 3.497 ( 0.000 -1.562 0.000) 1.562 3.576 ( -0.000 3.111 -0.000) 3.111 3.626 ( 0.000 -5.418 0.000) 5.418 3.779 ( 0.000 -4.869 0.000) 4.869 3.894 ( 0.000 -11.745 0.000) 11.745 4.063 ( 0.000 -0.425 0.000) 0.425 4.276 ( 0.000 -0.303 0.000) 0.303 4.369 ( 0.000 -0.137 0.000) 0.137 4.524 ( -0.000 6.662 -0.000) 6.662 4.694 ( -0.000 0.342 -0.000) 0.342 4.762 ( 0.000 -0.194 0.000) 0.194 4.808 ( -0.000 3.914 -0.000) 3.914 4.907 ( 0.000 -0.066 0.000) 0.066 5.116 ( -0.000 3.344 -0.000) 3.344 5.168 ( 0.000 -1.492 0.000) 1.492 5.234 ( 0.000 -0.241 0.000) 0.241 5.267 ( 0.000 -4.582 0.000) 4.582 5.481 ( -0.000 6.337 -0.000) 6.337 5.738 ( 0.000 -2.960 0.000) 2.960 5.761 ( 0.000 -0.903 0.000) 0.903 5.827 ( 0.000 -1.183 0.000) 1.183 5.902 ( 0.000 -3.816 0.000) 3.816 5.971 ( 0.000 -4.768 0.000) 4.768 6.877 ( 0.000 -7.011 0.000) 7.011 7.437 ( 0.000 -0.651 0.000) 0.651 7.523 ( -0.000 3.360 -0.000) 3.360 7.807 ( -0.000 0.574 -0.000) 0.574 7.845 ( -0.000 0.282 -0.000) 0.282 7.922 ( 0.000 -8.110 0.000) 8.110 8.253 ( -0.000 1.126 -0.000) 1.126 8.431 ( -0.000 6.752 -0.000) 6.752 8.924 ( 0.000 -2.464 0.000) 2.464 9.100 ( -0.000 5.420 -0.000) 5.420 9.182 ( -0.000 5.221 -0.000) 5.221 9.189 ( -0.000 0.335 -0.000) 0.335 9.268 ( -0.000 4.720 -0.000) 4.720 9.480 ( 0.000 -2.871 0.000) 2.871 9.612 ( -0.000 2.124 -0.000) 2.124 9.916 ( 0.000 -4.887 0.000) 4.887 10.032 ( -0.000 0.169 -0.000) 0.169 10.704 ( -0.000 2.277 -0.000) 2.277 10.795 ( -0.000 2.491 -0.000) 2.491 10.990 ( 0.000 -4.173 0.000) 4.173 11.759 ( -0.000 2.788 -0.000) 2.788 11.791 ( -0.000 2.855 -0.000) 2.855 11.828 ( 0.000 -1.243 0.000) 1.243 11.896 ( 0.000 -2.283 0.000) 2.283 12.753 ( -0.000 1.105 -0.000) 1.105 12.917 ( -0.000 0.602 -0.000) 0.602 12.953 ( 0.000 -2.459 0.000) 2.459 13.157 ( -0.000 2.054 -0.000) 2.054 13.642 ( -0.000 0.257 -0.000) 0.257 13.803 ( -0.000 1.867 -0.000) 1.867 13.889 ( 0.000 -0.637 0.000) 0.637 13.961 ( -0.000 1.648 -0.000) 1.648 14.830 ( -0.000 0.105 -0.000) 0.105 15.050 ( 0.000 -1.602 0.000) 1.602 15.112 ( -0.000 3.192 -0.000) 3.192 15.194 ( 0.000 -0.121 0.000) 0.121 15.819 ( -0.000 3.985 -0.000) 3.985 15.882 ( -0.000 6.204 -0.000) 6.204 15.919 ( -0.000 4.005 -0.000) 4.005 16.005 ( -0.000 0.225 -0.000) 0.225 16.337 ( 0.000 -4.265 0.000) 4.265 16.634 ( 0.000 -4.541 0.000) 4.541 16.802 ( -0.000 3.386 -0.000) 3.386 16.868 ( 0.000 -0.759 0.000) 0.759 16.956 ( 0.000 -3.266 0.000) 3.266 17.017 ( -0.000 0.922 -0.000) 0.922 17.104 ( 0.000 -1.136 0.000) 1.136 17.260 ( 0.000 -0.472 0.000) 0.472 20.164 ( -0.000 7.176 -0.000) 7.176 20.320 ( -0.000 2.290 -0.000) 2.290 21.057 ( -0.000 0.088 -0.000) 0.088 21.262 ( 0.000 -1.060 0.000) 1.060 22.616 ( 0.000 -2.460 0.000) 2.460 23.042 ( 0.000 -5.456 0.000) 5.456 27.835 ( 0.000 -0.427 0.000) 0.427 28.139 ( -0.000 1.519 -0.000) 1.519 29.738 ( -0.000 6.666 -0.000) 6.666 29.847 ( -0.000 4.406 -0.000) 4.406 29.974 ( 0.000 -4.247 0.000) 4.247 30.042 ( 0.000 -2.493 0.000) 2.493 31.069 ( 0.000 -1.486 0.000) 1.486 31.210 ( -0.000 1.061 -0.000) 1.061 31.233 ( 0.000 -2.167 0.000) 2.167 31.275 ( 0.000 -3.686 0.000) 3.686 31.743 ( 0.000 -2.948 0.000) 2.948 31.832 ( 0.000 -0.852 0.000) 0.852 32.030 ( -0.000 3.439 -0.000) 3.439 32.255 ( 0.000 -1.007 0.000) 1.007 32.664 ( 0.000 -0.389 0.000) 0.389 32.733 ( -0.000 2.082 -0.000) 2.082 32.820 ( -0.000 1.144 -0.000) 1.144 33.262 ( -0.000 0.631 -0.000) 0.631 34.370 ( 0.000 -5.518 0.000) 5.518 34.496 ( 0.000 -0.686 0.000) 0.686 34.549 ( -0.000 0.490 -0.000) 0.490 35.220 ( 0.000 -0.446 0.000) 0.446 36.278 ( -0.000 7.530 -0.000) 7.530 36.516 ( 0.000 -0.909 0.000) 0.909 36.774 ( -0.000 5.360 -0.000) 5.360 37.258 ( -0.000 5.643 -0.000) 5.643 ======================= Grid point 83 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 13.615 -0.000 28.717) 31.780 0.619 ( -3.647 0.000 29.990) 30.211 1.292 ( -13.965 0.000 58.129) 59.783 1.631 ( -12.174 0.000 -18.945) 22.520 1.734 ( 2.800 -0.000 -18.820) 19.027 2.636 ( 10.773 -0.000 13.443) 17.227 2.656 ( 0.681 -0.000 -6.571) 6.606 2.952 ( -1.907 0.000 2.500) 3.145 3.029 ( -5.629 0.000 4.729) 7.352 3.292 ( -5.562 0.000 2.392) 6.055 3.355 ( -1.861 0.000 5.933) 6.218 3.481 ( -1.882 0.000 7.200) 7.442 3.603 ( 4.386 -0.000 -14.249) 14.909 3.661 ( 7.539 -0.000 -16.651) 18.278 3.679 ( -4.401 0.000 -1.913) 4.799 3.888 ( 2.771 -0.000 -0.643) 2.844 4.065 ( -3.428 0.000 -6.365) 7.229 4.140 ( 7.410 -0.000 4.953) 8.913 4.184 ( 4.025 -0.000 -6.305) 7.480 4.358 ( -0.580 0.000 -1.547) 1.652 4.521 ( -2.706 0.000 6.313) 6.869 4.612 ( 0.315 -0.000 -4.651) 4.662 4.644 ( 1.819 -0.000 -4.131) 4.513 4.804 ( -3.989 0.000 -6.109) 7.296 4.859 ( 4.441 -0.000 -2.183) 4.948 4.930 ( 6.123 -0.000 -10.103) 11.813 5.095 ( -10.748 0.000 12.629) 16.583 5.364 ( 4.725 -0.000 7.550) 8.907 5.477 ( 0.049 -0.000 2.219) 2.220 5.642 ( 3.452 -0.000 -5.020) 6.093 6.145 ( 0.668 -0.000 2.061) 2.166 6.221 ( 2.280 -0.000 -1.861) 2.943 6.385 ( -3.871 0.000 5.686) 6.879 6.606 ( -0.045 0.000 -3.370) 3.371 7.397 ( 6.782 -0.000 0.356) 6.791 7.436 ( -6.987 0.000 -2.088) 7.293 7.596 ( 0.166 -0.000 3.637) 3.641 7.763 ( -0.245 0.000 -3.271) 3.280 8.169 ( -2.371 0.000 4.364) 4.967 8.469 ( 0.638 -0.000 -7.837) 7.862 8.612 ( -3.004 0.000 5.971) 6.684 8.685 ( 4.661 -0.000 7.434) 8.774 8.754 ( -8.616 0.000 1.375) 8.725 9.020 ( 6.377 -0.000 -6.644) 9.209 9.086 ( -0.927 0.000 5.112) 5.196 9.306 ( 2.960 -0.000 -1.737) 3.432 9.675 ( -0.968 0.000 1.024) 1.409 9.808 ( 0.912 -0.000 -4.781) 4.867 10.076 ( 2.331 -0.000 -0.775) 2.457 10.177 ( -1.258 0.000 -3.456) 3.678 10.253 ( -5.612 0.000 5.129) 7.603 10.427 ( 0.747 -0.000 -2.201) 2.325 10.827 ( -1.172 0.000 -0.099) 1.176 10.940 ( 10.095 -0.000 -5.233) 11.371 10.981 ( 8.276 -0.000 4.108) 9.240 11.092 ( -9.989 0.000 0.200) 9.991 12.303 ( 1.888 -0.000 1.990) 2.743 12.365 ( -0.417 0.000 -0.561) 0.699 12.997 ( -0.726 0.000 0.046) 0.727 13.041 ( -1.364 0.000 -2.859) 3.168 13.247 ( 1.914 -0.000 5.961) 6.261 13.494 ( 5.368 -0.000 -5.199) 7.473 13.567 ( -2.764 0.000 3.238) 4.257 13.674 ( 7.863 -0.000 -0.187) 7.865 13.901 ( -58.570 0.000 1.140) 58.581 13.974 ( 8.742 -0.000 -1.604) 8.888 14.303 ( 0.604 -0.000 0.572) 0.832 14.346 ( -1.235 0.000 -1.075) 1.637 14.716 ( 25.977 -0.000 0.428) 25.980 14.790 ( 1.098 -0.000 -2.890) 3.092 15.166 ( -4.081 0.000 2.217) 4.644 15.168 ( -3.821 0.000 4.365) 5.801 15.353 ( -2.051 0.000 -1.369) 2.466 15.413 ( 6.619 -0.000 -2.145) 6.957 16.665 ( 4.016 -0.000 -2.449) 4.704 16.680 ( -2.779 0.000 -2.016) 3.433 16.779 ( 2.191 -0.000 2.656) 3.443 16.843 ( -6.259 0.000 2.555) 6.760 16.992 ( 2.721 -0.000 -0.282) 2.735 17.053 ( 0.549 -0.000 -1.143) 1.268 17.292 ( 0.676 -0.000 3.641) 3.704 17.487 ( -15.414 0.000 -3.935) 15.909 19.664 ( -1.607 0.000 1.512) 2.206 19.732 ( 1.307 -0.000 -1.132) 1.729 21.546 ( -1.757 0.000 1.308) 2.190 21.625 ( 0.833 -0.000 -1.762) 1.949 23.080 ( -0.188 0.000 3.944) 3.948 23.277 ( 0.092 -0.000 -3.619) 3.620 28.190 ( -44.390 0.000 0.778) 44.397 28.225 ( 8.356 -0.000 -0.548) 8.374 29.500 ( -6.531 0.000 2.669) 7.055 29.672 ( 23.405 -0.000 -4.452) 23.825 29.931 ( 0.134 -0.000 3.557) 3.559 30.085 ( 0.087 -0.000 -2.775) 2.776 30.913 ( -14.013 0.000 4.117) 14.606 31.039 ( 0.749 -0.000 0.701) 1.026 31.185 ( 0.195 -0.000 -2.086) 2.095 31.188 ( 3.765 -0.000 -3.864) 5.395 31.919 ( -0.128 0.000 1.945) 1.949 31.976 ( -2.257 0.000 0.596) 2.335 32.128 ( 1.523 -0.000 1.919) 2.450 32.263 ( 0.531 -0.000 -2.078) 2.145 32.337 ( -1.153 0.000 0.595) 1.297 32.337 ( 0.083 -0.000 -0.101) 0.131 32.430 ( 27.039 -0.000 0.500) 27.044 32.462 ( -3.776 0.000 -0.891) 3.880 34.369 ( 0.683 -0.000 1.209) 1.389 34.457 ( -0.833 0.000 -2.233) 2.384 35.498 ( 4.679 -0.000 3.154) 5.643 35.623 ( -19.395 0.000 -1.432) 19.448 35.888 ( 3.001 -0.000 0.167) 3.006 35.930 ( -1.430 0.000 -1.230) 1.887 37.768 ( 20.192 -0.000 0.891) 20.212 37.812 ( -1.261 0.000 -0.811) 1.499 ======================= Grid point 84 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 7.022 -18.120 20.899) 28.538 0.964 ( 20.271 -7.284 23.577) 31.935 1.464 ( -5.470 -11.151 43.404) 45.146 1.538 ( 0.891 -3.937 -17.826) 18.277 1.804 ( 4.061 -10.994 -12.887) 17.419 2.651 ( 3.739 0.575 -5.673) 6.819 2.742 ( 8.235 4.384 10.221) 13.839 2.922 ( -2.085 2.969 -1.203) 3.822 3.074 ( -0.025 -7.373 5.452) 9.170 3.269 ( -1.540 -1.224 3.431) 3.955 3.391 ( 0.982 -2.198 1.856) 3.040 3.476 ( 1.775 1.948 1.863) 3.227 3.567 ( 3.104 0.372 -13.082) 13.451 3.697 ( 0.906 -3.912 -7.879) 8.843 3.733 ( 4.053 -3.009 -2.108) 5.471 3.920 ( 0.730 -1.353 -0.040) 1.538 4.058 ( -2.605 -4.920 -6.522) 8.575 4.154 ( 3.966 3.111 -1.002) 5.139 4.285 ( 6.377 -3.553 -0.617) 7.326 4.334 ( -4.462 -1.162 -2.839) 5.415 4.498 ( -0.052 1.438 2.984) 3.312 4.576 ( -3.077 4.263 0.606) 5.292 4.651 ( 0.556 -3.878 -6.092) 7.243 4.752 ( -0.024 0.149 -2.006) 2.012 4.875 ( 4.106 0.157 -3.260) 5.245 4.964 ( -1.217 -0.968 6.933) 7.106 5.142 ( -0.575 -6.186 -6.869) 9.262 5.405 ( 3.791 2.025 6.460) 7.759 5.564 ( 3.937 -2.701 -3.162) 5.727 5.767 ( 1.111 -11.156 -14.854) 18.610 6.081 ( -5.042 4.234 2.313) 6.978 6.199 ( -3.611 1.113 -2.662) 4.622 6.350 ( -7.403 0.799 4.891) 8.909 6.589 ( -1.026 -0.426 -3.024) 3.222 7.338 ( -5.725 2.328 -2.101) 6.527 7.476 ( 5.442 -0.685 1.371) 5.654 7.565 ( -1.463 3.808 3.708) 5.512 7.732 ( -0.715 1.407 -3.620) 3.949 8.121 ( -2.265 3.382 6.691) 7.832 8.384 ( -4.881 5.284 -2.934) 7.769 8.580 ( -8.898 1.672 8.090) 12.141 8.633 ( -10.008 0.201 6.820) 12.112 8.785 ( 4.399 -2.068 4.825) 6.849 9.004 ( -5.123 5.253 -0.767) 7.378 9.060 ( 1.640 4.450 3.640) 5.978 9.097 ( 0.665 7.174 3.707) 8.103 9.603 ( -3.473 5.898 0.913) 6.905 9.743 ( -1.544 4.113 -5.474) 7.019 10.112 ( 1.257 -0.790 -0.656) 1.623 10.166 ( -3.620 -1.475 -3.228) 5.070 10.228 ( -5.238 -0.941 4.913) 7.243 10.453 ( 1.184 -2.188 -2.791) 3.739 10.821 ( 0.934 0.988 -1.247) 1.845 11.019 ( -7.694 -2.242 0.300) 8.020 11.038 ( 11.547 -0.450 -4.918) 12.559 11.105 ( 9.424 -3.041 4.074) 10.708 12.272 ( -3.452 3.856 1.728) 5.456 12.302 ( -4.001 3.275 -0.398) 5.186 12.905 ( -6.347 4.668 -0.588) 7.900 13.017 ( 0.117 0.294 -2.144) 2.167 13.252 ( -0.060 2.287 5.914) 6.341 13.420 ( -6.037 5.154 3.004) 8.487 13.569 ( 0.471 -1.383 -2.018) 2.492 13.606 ( -8.606 -1.714 4.241) 9.746 13.764 ( 3.338 -1.051 2.731) 4.439 14.089 ( 8.179 0.138 1.460) 8.310 14.334 ( -1.332 -2.749 -0.001) 3.055 14.427 ( 5.983 -6.976 -0.138) 9.191 14.825 ( 8.756 -1.254 -1.206) 8.927 14.931 ( 3.079 -3.136 -4.522) 6.306 15.091 ( 12.192 4.391 2.907) 13.280 15.275 ( 14.281 0.599 -3.173) 14.642 15.340 ( 4.864 2.343 -3.118) 6.235 15.500 ( 8.009 -1.785 0.152) 8.207 16.620 ( -2.948 2.167 -0.229) 3.666 16.711 ( 2.859 -1.996 -3.426) 4.888 16.790 ( -0.437 0.112 2.560) 2.599 16.825 ( -3.931 -2.433 -0.829) 4.697 17.021 ( 1.797 -0.824 -0.026) 1.977 17.053 ( 1.205 0.578 0.188) 1.350 17.271 ( -8.575 3.546 5.993) 11.046 17.316 ( -2.881 0.136 2.700) 3.950 19.661 ( 1.131 0.085 1.298) 1.723 19.787 ( 3.897 -2.287 -3.224) 5.551 21.519 ( -1.515 2.322 1.178) 3.012 21.610 ( -0.082 1.542 -1.728) 2.318 23.102 ( -5.658 -1.954 1.591) 6.194 23.263 ( -2.001 -2.030 -4.569) 5.386 27.885 ( -13.320 2.105 9.466) 16.476 28.269 ( 6.891 4.273 2.478) 8.478 29.472 ( -0.934 -1.381 1.365) 2.155 29.661 ( 7.215 9.770 4.367) 12.907 29.905 ( 1.362 1.695 2.025) 2.971 30.051 ( 0.001 2.454 -3.674) 4.418 30.859 ( -1.697 -2.133 2.881) 3.966 31.094 ( 2.692 2.565 -4.422) 5.777 31.335 ( 2.493 -9.763 0.412) 10.085 31.377 ( -10.973 -21.020 -9.268) 25.459 31.862 ( 0.373 4.304 2.941) 5.226 31.977 ( -1.554 0.930 -3.007) 3.510 32.213 ( -2.366 -6.997 0.365) 7.395 32.256 ( -1.943 -1.543 -1.727) 3.023 32.314 ( 0.550 0.618 0.564) 1.001 32.352 ( 1.139 -0.716 -0.863) 1.599 32.473 ( 2.643 -2.352 -1.203) 3.737 32.785 ( 29.386 -6.328 -16.193) 34.143 34.377 ( -0.318 -0.711 2.648) 2.760 34.494 ( -1.659 -6.010 -3.607) 7.203 35.358 ( -18.801 9.058 10.816) 23.506 35.552 ( 7.267 1.844 5.076) 9.054 35.843 ( -2.943 4.641 2.014) 5.853 35.925 ( 3.441 -1.151 0.426) 3.654 37.416 ( -10.606 29.584 11.684) 33.529 37.694 ( 4.005 13.463 -1.684) 14.147 ======================= Grid point 85 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 8.446 -7.255 16.595) 19.984 1.368 ( 12.924 -19.647 13.468) 27.100 1.677 ( 6.233 -12.189 -4.933) 14.552 1.734 ( 7.400 -7.197 14.275) 17.616 2.069 ( 2.511 -16.680 -2.430) 17.042 2.643 ( -1.524 2.900 -5.032) 6.004 2.746 ( 1.637 -1.357 2.620) 3.374 2.880 ( 3.744 3.630 3.222) 6.130 3.171 ( -2.694 -2.950 4.352) 5.908 3.247 ( -1.554 3.161 3.639) 5.065 3.424 ( 0.782 0.635 3.379) 3.526 3.538 ( 6.928 -1.765 -1.750) 7.360 3.633 ( 11.676 -7.061 -14.036) 19.575 3.770 ( -0.610 -1.909 3.375) 3.925 3.789 ( 2.421 -5.453 -10.628) 12.188 3.956 ( -2.550 -4.472 0.570) 5.179 4.104 ( -0.905 -3.421 -0.995) 3.676 4.148 ( 5.341 2.431 -0.267) 5.874 4.288 ( -4.988 1.102 -0.836) 5.176 4.344 ( 0.347 -1.270 -4.142) 4.346 4.514 ( -2.957 -1.567 2.381) 4.107 4.550 ( 4.348 -2.882 2.005) 5.588 4.726 ( 2.741 -5.892 -4.385) 7.839 4.773 ( -1.747 -3.380 0.548) 3.844 4.891 ( 2.720 0.849 -5.112) 5.852 4.991 ( -0.896 0.172 9.028) 9.074 5.212 ( -0.749 -5.597 -7.112) 9.081 5.370 ( 2.533 8.332 1.483) 8.834 5.605 ( 1.901 -0.564 -1.314) 2.379 5.842 ( -1.927 -2.249 -7.299) 7.877 5.972 ( -6.756 1.371 -6.071) 9.186 6.125 ( -4.262 1.169 -0.353) 4.434 6.227 ( -10.562 4.191 1.233) 11.430 6.588 ( -0.079 -0.458 -1.675) 1.739 7.265 ( -3.961 -0.366 -1.030) 4.109 7.460 ( -2.379 3.365 -0.754) 4.189 7.550 ( 2.347 0.500 5.427) 5.934 7.697 ( 1.492 1.403 -5.136) 5.529 8.066 ( -3.288 3.999 5.756) 7.742 8.254 ( -2.866 3.779 3.020) 5.623 8.438 ( -11.659 3.539 9.962) 15.738 8.619 ( -7.243 -3.836 3.585) 8.946 8.845 ( 1.712 0.938 2.769) 3.388 8.868 ( 1.628 7.170 2.719) 7.839 9.020 ( 5.529 4.214 0.815) 6.999 9.050 ( 3.456 4.649 -3.051) 6.547 9.469 ( -4.044 6.012 2.506) 7.667 9.626 ( -2.501 5.410 -4.939) 7.740 10.041 ( -7.919 2.976 -0.986) 8.518 10.179 ( -1.349 -0.882 -0.708) 1.760 10.201 ( -4.006 -0.483 1.926) 4.472 10.501 ( 2.277 -2.079 -1.816) 3.578 10.813 ( 0.848 0.181 -0.883) 1.238 10.991 ( -5.124 -1.611 2.162) 5.790 11.159 ( 10.590 -2.225 -5.236) 12.021 11.281 ( 10.106 -5.130 3.891) 11.983 12.155 ( -4.949 4.509 0.200) 6.698 12.188 ( -5.150 4.822 -0.098) 7.056 12.773 ( -4.153 4.453 -1.487) 6.268 13.003 ( -0.109 1.490 -1.808) 2.345 13.229 ( 2.322 3.203 4.482) 5.978 13.302 ( -5.158 3.521 1.203) 6.360 13.566 ( -2.368 -1.625 -0.800) 2.981 13.632 ( 1.325 -2.119 1.478) 2.903 13.814 ( 0.599 -1.214 4.565) 4.761 14.097 ( 1.435 3.358 1.079) 3.808 14.384 ( 1.494 -3.124 -0.103) 3.464 14.573 ( 1.534 -3.480 1.044) 3.944 14.910 ( -4.034 -0.588 0.988) 4.195 15.057 ( 19.833 -8.009 1.230) 21.425 15.170 ( -1.809 -4.000 0.020) 4.390 15.368 ( 9.569 0.964 -3.859) 10.362 15.410 ( 22.950 3.031 -4.790) 23.639 15.609 ( 7.795 -1.616 1.483) 8.098 16.567 ( -3.226 0.690 2.240) 3.988 16.751 ( 0.937 -0.340 -0.309) 1.044 16.812 ( -0.783 -3.415 -5.611) 6.615 16.828 ( 0.093 -1.351 0.925) 1.639 17.045 ( 0.790 0.056 0.430) 0.901 17.057 ( 0.948 0.013 0.204) 0.970 17.199 ( -4.105 -0.144 3.510) 5.403 17.299 ( -2.649 0.227 1.227) 2.928 19.684 ( 1.750 -0.635 1.676) 2.505 19.851 ( 5.525 -1.351 -3.789) 6.834 21.442 ( -3.313 4.357 1.323) 5.631 21.563 ( -1.126 2.732 -1.879) 3.501 23.056 ( -7.005 -0.252 2.906) 7.588 23.274 ( -1.927 -2.785 -5.571) 6.519 27.838 ( -2.742 -0.910 4.978) 5.756 28.223 ( 3.095 7.351 1.972) 8.216 29.532 ( 2.670 -4.027 0.585) 4.867 29.616 ( 2.596 2.820 4.000) 5.540 29.872 ( -0.831 3.635 0.267) 3.738 30.014 ( 2.654 1.606 -2.857) 4.217 30.907 ( -0.083 -3.416 1.345) 3.672 31.086 ( 2.326 0.335 -2.073) 3.134 31.476 ( -5.514 -7.495 0.981) 9.356 31.546 ( -3.045 -11.587 -0.937) 12.017 31.800 ( -0.914 4.211 1.081) 4.443 31.926 ( 0.305 2.447 -3.304) 4.123 32.219 ( -5.383 -0.607 -1.409) 5.598 32.246 ( -5.172 -1.461 -1.265) 5.521 32.380 ( 2.782 -2.197 -1.251) 3.760 32.402 ( 4.318 -4.355 -0.023) 6.133 32.563 ( 6.139 -2.761 0.630) 6.761 33.023 ( 17.246 -2.086 -16.348) 23.855 34.415 ( -0.885 -3.198 4.967) 5.973 34.585 ( -2.226 -8.490 -5.568) 10.394 35.089 ( -12.925 9.118 14.680) 21.580 35.604 ( 10.274 3.960 5.146) 12.154 35.761 ( -1.234 3.462 1.138) 3.848 35.996 ( 3.285 -3.103 1.099) 4.651 36.860 ( -16.443 23.854 1.996) 29.040 37.499 ( 6.504 14.073 -1.044) 15.538 ======================= Grid point 86 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.047 -7.277 11.149) 14.623 1.809 ( 10.801 -13.428 12.097) 21.055 1.895 ( 10.738 -1.108 2.146) 11.006 1.968 ( 0.955 -15.608 2.386) 15.818 2.299 ( 1.940 -7.419 -4.403) 8.843 2.532 ( -7.756 0.669 -6.052) 9.861 2.783 ( -4.009 -0.513 3.997) 5.684 2.901 ( 4.354 -1.883 4.258) 6.375 3.169 ( -0.978 3.624 1.802) 4.164 3.216 ( -0.068 -1.562 5.484) 5.703 3.428 ( 0.701 0.382 -0.292) 0.850 3.634 ( 7.376 -2.386 -0.424) 7.764 3.730 ( -0.763 4.783 -2.704) 5.547 3.797 ( 3.339 -3.935 -12.017) 13.078 3.859 ( -2.640 -2.019 -0.844) 3.429 4.055 ( 3.223 -6.909 -5.967) 9.681 4.169 ( 1.080 -5.127 1.368) 5.415 4.197 ( 0.647 1.351 -0.444) 1.563 4.253 ( 11.816 -3.393 3.772) 12.859 4.388 ( 1.894 -5.230 -2.310) 6.023 4.556 ( -0.611 -3.241 3.291) 4.660 4.656 ( 3.835 -3.016 3.398) 5.946 4.781 ( -1.537 -1.093 -1.391) 2.343 4.864 ( -0.113 -0.669 -4.621) 4.670 4.890 ( 1.144 -6.642 -2.303) 7.122 4.973 ( -2.127 2.954 8.236) 9.005 5.168 ( -3.940 8.317 -3.029) 9.688 5.304 ( 1.553 -1.686 -1.975) 3.026 5.607 ( -1.261 0.524 -4.729) 4.922 5.748 ( -13.258 3.191 -1.779) 13.752 5.894 ( -0.034 1.701 -3.127) 3.560 6.070 ( -3.420 3.982 -5.085) 7.308 6.104 ( -1.615 -0.797 3.301) 3.760 6.581 ( -0.304 0.832 -0.866) 1.239 7.274 ( -2.110 -4.021 -0.931) 4.636 7.403 ( -0.802 0.537 -1.171) 1.517 7.566 ( 0.238 0.134 2.577) 2.591 7.687 ( 1.352 0.202 -4.319) 4.530 7.935 ( -3.408 7.893 3.541) 9.298 8.164 ( -2.753 7.016 1.111) 7.619 8.401 ( -5.363 -5.882 11.815) 14.246 8.627 ( -6.508 -3.995 1.887) 7.866 8.737 ( -0.166 8.692 -0.013) 8.693 8.853 ( 3.167 2.928 1.192) 4.475 8.996 ( 4.431 3.788 -2.507) 6.346 9.039 ( 6.680 1.727 0.372) 6.910 9.339 ( -4.706 5.293 1.945) 7.344 9.497 ( -3.331 5.586 -1.787) 6.745 9.914 ( -6.560 2.849 -0.585) 7.176 10.137 ( -7.105 -1.073 0.159) 7.188 10.185 ( 0.010 1.955 -0.482) 2.014 10.539 ( 2.074 -0.280 -1.124) 2.375 10.835 ( 1.709 -1.596 -0.490) 2.390 10.983 ( -3.097 -0.988 2.695) 4.223 11.267 ( 7.533 -1.736 -4.261) 8.827 11.468 ( 8.430 -4.708 2.936) 10.092 12.048 ( -3.680 3.083 -1.734) 5.104 12.075 ( -3.091 3.137 1.034) 4.524 12.677 ( -2.358 2.661 -1.602) 3.899 12.938 ( -3.466 3.635 -0.481) 5.046 13.208 ( 0.088 2.915 1.576) 3.315 13.232 ( 1.174 1.127 -1.795) 2.423 13.588 ( 0.949 -1.798 -0.597) 2.119 13.689 ( 1.173 -2.343 2.625) 3.709 13.828 ( -3.146 0.448 6.590) 7.317 14.054 ( 0.227 2.292 0.696) 2.406 14.453 ( 1.732 -2.964 0.239) 3.441 14.603 ( -0.565 -0.480 0.834) 1.116 14.876 ( -4.015 -0.064 0.447) 4.040 15.189 ( -1.139 -1.426 -3.289) 3.762 15.395 ( 17.011 -7.310 3.084) 18.770 15.450 ( 6.791 -2.006 -3.037) 7.705 15.553 ( 14.722 0.692 -2.670) 14.978 15.704 ( 5.809 -1.451 2.000) 6.313 16.555 ( -2.615 -1.382 3.643) 4.692 16.734 ( -1.049 2.041 0.643) 2.383 16.808 ( -2.288 -1.146 -5.158) 5.758 16.909 ( 4.099 -3.463 0.117) 5.367 17.050 ( 0.317 -0.388 -1.528) 1.608 17.067 ( 1.959 0.153 0.157) 1.971 17.188 ( -2.196 -0.574 1.781) 2.885 17.275 ( -2.377 -0.182 -0.068) 2.385 19.721 ( 1.673 -0.940 2.238) 2.949 19.914 ( 5.260 -1.224 -3.978) 6.707 21.333 ( -3.810 4.626 1.822) 6.264 21.493 ( -1.911 2.867 -2.157) 4.065 23.016 ( -5.009 -0.605 4.327) 6.646 23.282 ( -1.091 -1.905 -5.697) 6.106 27.860 ( -0.490 -1.859 2.727) 3.337 28.119 ( 0.592 6.906 0.367) 6.941 29.613 ( 0.982 0.704 3.913) 4.095 29.643 ( 2.561 -4.816 -2.852) 6.155 29.798 ( -0.911 3.051 0.616) 3.243 30.019 ( 3.468 1.216 -0.894) 3.782 30.970 ( 0.231 -3.510 0.663) 3.580 31.099 ( 1.410 0.263 -0.087) 1.437 31.530 ( -5.785 -6.001 0.746) 8.369 31.671 ( -0.074 0.744 5.519) 5.569 31.723 ( -3.083 -2.839 -3.350) 5.365 31.897 ( 2.048 1.438 -1.686) 3.018 32.152 ( -6.283 0.538 -3.301) 7.117 32.220 ( -2.338 0.422 1.302) 2.709 32.444 ( 2.818 -2.844 -1.895) 4.429 32.503 ( 2.477 -3.339 -1.128) 4.308 32.662 ( 5.996 -1.142 1.891) 6.390 33.119 ( 9.101 -0.303 -11.125) 14.377 34.489 ( -1.500 -4.500 6.780) 8.274 34.693 ( -2.019 -7.906 -5.119) 9.632 34.902 ( -7.190 5.632 11.187) 14.442 35.632 ( 11.219 6.717 2.307) 13.279 35.708 ( 0.388 2.665 0.522) 2.743 36.082 ( -1.084 -4.497 2.442) 5.231 36.358 ( -11.720 17.836 -5.457) 22.028 37.357 ( 4.822 9.141 -0.445) 10.344 ======================= Grid point 87 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 3.111 -3.484 8.411) 9.621 1.937 ( 1.849 2.720 12.040) 12.481 2.121 ( 5.873 -9.411 0.131) 11.095 2.163 ( -0.166 -5.229 -0.237) 5.237 2.305 ( 0.086 2.361 -5.114) 5.633 2.501 ( -3.239 -4.049 -7.356) 9.000 2.737 ( -7.174 1.305 11.409) 13.540 3.010 ( 3.219 -2.106 2.975) 4.863 3.106 ( -1.753 -0.753 3.422) 3.918 3.316 ( 2.264 -6.092 1.646) 6.704 3.365 ( -1.601 7.566 -0.985) 7.796 3.617 ( -2.025 4.166 -9.102) 10.213 3.729 ( 4.006 0.910 0.394) 4.127 3.783 ( -3.578 2.266 2.362) 4.850 3.820 ( 1.072 -1.265 -2.631) 3.110 4.108 ( 0.400 -2.947 -9.662) 10.109 4.233 ( 0.308 -4.044 -2.489) 4.758 4.341 ( 8.607 -4.136 -1.056) 9.607 4.452 ( 9.018 -3.714 5.505) 11.199 4.519 ( 3.409 -4.786 0.336) 5.885 4.605 ( 3.156 1.154 5.746) 6.656 4.653 ( -4.777 4.715 3.078) 7.384 4.775 ( -0.653 0.417 -3.830) 3.908 4.867 ( 0.596 -3.667 -3.886) 5.376 4.902 ( -3.339 -0.068 2.974) 4.472 5.020 ( 0.021 -1.469 0.114) 1.473 5.076 ( 4.280 -4.453 1.006) 6.258 5.260 ( -5.890 7.030 -1.385) 9.275 5.544 ( -1.893 2.392 -5.136) 5.973 5.587 ( -8.593 -1.140 -2.788) 9.106 5.885 ( 1.910 0.514 1.995) 2.810 6.002 ( 0.825 2.220 -4.608) 5.181 6.123 ( 0.182 -1.212 0.211) 1.244 6.555 ( -0.200 1.275 -0.382) 1.346 7.309 ( -0.709 -1.359 -3.008) 3.376 7.441 ( 1.080 -4.915 0.230) 5.038 7.566 ( 0.772 2.584 0.563) 2.755 7.672 ( -2.583 -1.559 -1.284) 3.279 7.818 ( 0.877 4.474 -0.455) 4.581 8.036 ( -2.791 3.855 2.849) 5.547 8.519 ( -2.651 -7.438 7.729) 11.049 8.573 ( -0.255 10.242 2.655) 10.583 8.639 ( -3.251 -2.175 1.515) 4.195 8.847 ( 2.147 -0.068 -3.103) 3.774 8.998 ( 4.170 0.994 -0.137) 4.289 9.059 ( 1.015 1.612 0.381) 1.943 9.244 ( -1.288 2.002 0.830) 2.521 9.375 ( -2.759 4.317 0.771) 5.181 9.838 ( -1.950 0.914 -0.480) 2.207 10.107 ( -5.244 -2.720 -0.417) 5.922 10.142 ( 0.465 2.388 -0.877) 2.586 10.545 ( 1.633 0.864 -1.056) 2.128 10.885 ( 1.068 -2.247 1.090) 2.716 10.970 ( -1.828 0.955 1.747) 2.703 11.326 ( 3.195 -0.479 -3.220) 4.561 11.587 ( 3.067 -1.712 1.854) 3.971 11.982 ( -2.283 0.574 -1.969) 3.069 12.038 ( 0.680 0.788 0.990) 1.436 12.636 ( 0.001 0.246 -1.939) 1.955 12.846 ( -2.746 2.791 0.740) 3.985 13.173 ( -0.309 1.032 -0.136) 1.086 13.242 ( 2.899 -0.240 -3.421) 4.491 13.624 ( 1.368 -0.890 -0.182) 1.642 13.740 ( 0.337 -1.711 2.757) 3.263 13.786 ( -4.979 1.684 7.551) 9.201 14.035 ( 0.467 1.049 1.353) 1.775 14.501 ( 0.193 -1.095 0.456) 1.202 14.608 ( -0.223 -0.802 0.423) 0.934 14.849 ( -3.092 -0.637 1.345) 3.431 15.188 ( 2.221 0.530 -5.885) 6.313 15.523 ( 3.285 -1.075 -1.750) 3.874 15.580 ( 5.187 -1.437 1.644) 5.628 15.639 ( 4.424 -0.934 -1.532) 4.774 15.774 ( 2.400 -0.759 2.378) 3.463 16.559 ( -2.747 0.339 2.331) 3.619 16.702 ( 0.762 0.543 2.699) 2.856 16.782 ( -0.795 0.638 -4.702) 4.811 16.997 ( 2.755 -2.783 0.915) 4.022 17.033 ( -1.771 0.875 -1.431) 2.439 17.110 ( 3.977 -1.094 -0.902) 4.222 17.183 ( -1.269 -0.799 -0.106) 1.503 17.259 ( -1.665 -0.143 -0.233) 1.688 19.751 ( 0.280 -0.361 2.552) 2.593 19.959 ( 2.976 -0.694 -4.013) 5.044 21.252 ( -1.640 2.097 2.362) 3.559 21.434 ( -1.224 1.240 -2.481) 3.032 23.004 ( -2.456 -0.437 5.080) 5.660 23.285 ( 0.579 -0.801 -5.706) 5.791 27.900 ( -0.162 -2.342 1.716) 2.908 28.024 ( -0.110 4.336 -0.277) 4.346 29.590 ( -1.688 1.797 -0.958) 2.645 29.717 ( 1.315 -1.894 -1.695) 2.861 29.789 ( 1.082 -0.781 3.584) 3.824 30.027 ( 1.801 0.593 -0.374) 1.932 31.021 ( -0.623 -2.326 0.149) 2.413 31.098 ( 0.792 1.252 0.974) 1.773 31.573 ( 0.262 3.635 0.548) 3.685 31.584 ( -3.526 -1.924 0.757) 4.088 31.808 ( -2.034 -6.001 1.755) 6.575 31.903 ( 2.694 0.353 -0.486) 2.760 32.079 ( -4.345 0.626 -3.248) 5.461 32.204 ( 1.466 1.093 1.240) 2.209 32.502 ( 1.618 -1.916 -1.926) 3.162 32.549 ( 0.550 -1.040 -1.398) 1.827 32.709 ( 2.248 0.905 1.255) 2.729 33.163 ( 3.796 -1.163 -7.380) 8.380 34.556 ( -3.021 -2.636 7.388) 8.406 34.697 ( -2.987 2.968 4.674) 6.291 34.908 ( 0.354 -6.296 1.550) 6.494 35.574 ( 5.216 9.704 -4.995) 12.097 35.684 ( 0.520 0.947 0.414) 1.157 36.026 ( -9.439 1.742 -1.436) 9.705 36.181 ( 4.081 0.451 0.109) 4.108 37.284 ( 1.761 3.179 -0.254) 3.643 ======================= Grid point 88 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -6.297 3.243 6.710) 9.757 1.885 ( -2.202 9.578 15.679) 18.505 2.131 ( -3.407 2.203 -1.484) 4.320 2.230 ( -4.614 2.123 0.923) 5.162 2.281 ( 3.580 1.661 -8.297) 9.187 2.498 ( -2.446 -4.298 -5.430) 7.344 2.761 ( -0.020 -6.567 12.883) 14.460 3.050 ( -0.641 0.384 4.469) 4.531 3.118 ( -1.777 13.363 1.593) 13.575 3.184 ( 0.597 -2.817 1.790) 3.391 3.333 ( -4.597 6.931 -6.628) 10.635 3.565 ( 1.153 -1.589 -4.323) 4.748 3.691 ( 1.069 0.831 6.843) 6.976 3.791 ( 2.477 -0.063 -10.209) 10.505 3.879 ( 2.211 -3.116 -0.145) 3.823 4.139 ( 0.186 -1.763 -1.838) 2.553 4.284 ( -4.307 2.899 -0.753) 5.246 4.309 ( -6.037 -2.109 -6.001) 8.769 4.489 ( -3.241 3.864 2.484) 5.622 4.542 ( 0.213 4.442 3.049) 5.392 4.587 ( 1.007 0.010 0.571) 1.157 4.676 ( 5.595 -0.937 1.273) 5.814 4.741 ( -3.905 0.699 6.508) 7.621 4.870 ( -1.649 1.740 -4.311) 4.933 4.959 ( 2.695 5.259 -0.248) 5.914 5.008 ( 0.584 -8.655 -1.166) 8.753 5.059 ( -0.986 7.020 0.319) 7.096 5.322 ( 10.354 -9.560 -1.176) 14.142 5.481 ( 2.503 3.208 -1.935) 4.506 5.573 ( -3.226 -3.085 -4.328) 6.217 5.898 ( 0.194 2.472 0.252) 2.492 5.978 ( 2.234 -1.639 -1.394) 3.101 6.155 ( 1.654 -2.508 -2.269) 3.765 6.552 ( 1.456 -0.349 -0.340) 1.535 7.301 ( -0.361 -0.060 -3.363) 3.383 7.466 ( -1.782 4.389 2.914) 5.562 7.564 ( 4.101 -3.255 -2.975) 6.022 7.720 ( 0.288 -3.461 -0.030) 3.473 7.779 ( -0.829 -0.399 -0.484) 1.040 8.035 ( 1.534 -3.542 1.308) 4.076 8.417 ( -0.347 8.706 8.157) 11.935 8.623 ( -1.588 -4.101 1.612) 4.684 8.649 ( 0.040 -0.759 3.411) 3.495 8.866 ( -1.417 -1.695 -2.015) 2.990 9.007 ( -0.578 1.039 1.138) 1.645 9.016 ( -3.430 0.246 -1.198) 3.641 9.243 ( -0.949 -2.913 0.314) 3.080 9.372 ( 6.165 -2.190 0.995) 6.618 9.842 ( 2.850 -0.797 -0.672) 3.035 10.126 ( -1.027 -1.960 -2.475) 3.319 10.136 ( 1.690 -2.044 1.358) 2.979 10.543 ( 1.351 0.625 -1.210) 1.918 10.920 ( 0.880 2.511 0.828) 2.787 10.923 ( -2.896 -0.293 2.020) 3.543 11.319 ( -1.320 1.427 -3.048) 3.615 11.593 ( -3.498 1.013 1.790) 4.058 11.972 ( -0.020 -1.269 -1.575) 2.023 12.054 ( 2.248 -0.582 0.576) 2.393 12.653 ( 2.250 -1.627 -2.249) 3.573 12.825 ( 1.557 -0.816 1.077) 2.061 13.163 ( -0.421 -0.129 -0.415) 0.605 13.272 ( 2.106 -1.848 -4.093) 4.960 13.629 ( 0.083 1.271 -0.043) 1.274 13.729 ( -4.776 1.106 8.745) 10.026 13.781 ( -0.540 -1.825 1.975) 2.743 14.027 ( 0.492 1.062 1.625) 2.003 14.496 ( -0.136 1.489 0.274) 1.520 14.624 ( -1.583 -1.346 1.011) 2.311 14.857 ( -0.564 -2.109 1.425) 2.607 15.174 ( 3.295 2.396 -6.250) 7.461 15.510 ( -2.244 3.066 -0.923) 3.910 15.592 ( -3.241 0.524 -0.126) 3.286 15.661 ( -4.680 -2.181 -0.921) 5.245 15.757 ( -4.530 2.510 2.660) 5.822 16.507 ( -1.406 2.873 1.820) 3.680 16.724 ( 0.052 1.170 2.642) 2.890 16.772 ( 3.318 -1.338 -3.817) 5.231 16.987 ( -2.744 1.665 0.079) 3.210 17.056 ( 1.030 -1.747 0.201) 2.038 17.137 ( 0.935 0.238 -3.091) 3.238 17.204 ( 1.398 -1.243 1.189) 2.216 17.246 ( -0.860 -0.029 -0.439) 0.965 19.746 ( -1.827 0.862 2.430) 3.160 19.962 ( -0.460 0.496 -3.895) 3.953 21.260 ( 1.921 -2.074 2.631) 3.862 21.424 ( 0.650 -1.449 -2.745) 3.171 23.011 ( 0.088 0.151 5.167) 5.170 23.287 ( 2.503 0.387 -5.821) 6.348 27.935 ( -1.437 -1.395 3.165) 3.745 27.986 ( 0.902 -0.271 -1.702) 1.945 29.534 ( -1.913 2.459 -0.450) 3.148 29.729 ( 0.738 0.766 -1.809) 2.098 29.824 ( -0.570 -1.316 3.281) 3.581 30.032 ( -1.048 -0.820 -0.467) 1.410 31.035 ( -1.383 -0.758 -0.038) 1.577 31.079 ( 0.316 2.140 1.138) 2.444 31.489 ( 3.487 6.096 0.379) 7.033 31.617 ( -3.114 -2.779 0.583) 4.214 31.876 ( 0.436 -2.331 2.917) 3.759 31.932 ( 0.510 -2.250 -0.494) 2.360 32.045 ( -0.092 -0.352 -2.865) 2.888 32.226 ( 6.068 0.837 0.493) 6.145 32.515 ( 0.191 0.963 -2.561) 2.743 32.544 ( -0.989 0.726 -1.112) 1.656 32.684 ( -2.906 1.780 0.943) 3.536 33.186 ( -0.699 -2.119 -7.555) 7.878 34.522 ( -3.670 3.960 5.104) 7.430 34.693 ( 0.253 -1.613 7.804) 7.973 34.981 ( 2.589 2.589 3.357) 4.967 35.454 ( -3.749 0.035 -7.351) 8.252 35.691 ( -1.657 -2.307 0.491) 2.882 36.018 ( 4.320 -2.336 -1.184) 5.052 36.214 ( 1.229 -1.750 -0.102) 2.141 37.285 ( -1.383 -3.165 -0.254) 3.463 ======================= Grid point 89 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -19.726 7.570 4.661) 21.637 1.653 ( -9.504 16.806 17.523) 26.073 1.969 ( -2.906 14.720 7.905) 16.959 2.082 ( -3.058 8.003 -0.075) 8.567 2.263 ( -2.272 -2.064 -8.197) 8.753 2.621 ( 3.736 -7.076 -1.385) 8.121 2.736 ( -5.263 15.399 0.268) 16.276 2.990 ( -1.724 -3.441 9.809) 10.537 3.094 ( 1.751 -2.772 -1.533) 3.619 3.146 ( -4.571 1.952 -0.452) 4.991 3.235 ( 0.650 -0.038 1.386) 1.532 3.564 ( 2.789 2.427 -1.224) 3.894 3.723 ( 1.450 1.305 1.440) 2.425 3.758 ( -0.210 0.566 -11.809) 11.825 3.918 ( -0.734 0.446 -2.857) 2.983 4.064 ( -11.889 2.739 -0.032) 12.201 4.160 ( 0.733 3.399 2.868) 4.508 4.363 ( -2.392 -0.964 -0.837) 2.711 4.379 ( -1.579 3.178 -5.000) 6.131 4.427 ( 0.252 7.751 -1.314) 7.866 4.565 ( -3.692 4.503 3.615) 6.854 4.642 ( -1.944 1.541 3.332) 4.154 4.745 ( -2.979 0.352 3.260) 4.430 4.794 ( 0.083 -0.929 -2.150) 2.344 4.962 ( 5.346 5.821 0.096) 7.904 4.990 ( 4.786 -1.215 -1.146) 5.069 5.184 ( -2.030 -9.170 -1.198) 9.468 5.345 ( 1.304 7.487 -2.808) 8.102 5.513 ( -2.959 -1.738 -4.004) 5.274 5.679 ( 15.849 -3.608 -2.461) 16.440 5.862 ( 1.806 -0.850 2.058) 2.867 6.081 ( 5.331 -4.365 -2.589) 7.360 6.229 ( 4.926 -3.593 -4.657) 7.672 6.573 ( 1.023 -0.552 -0.879) 1.457 7.295 ( -0.390 -0.984 -3.585) 3.738 7.417 ( 0.387 1.590 5.666) 5.897 7.595 ( 0.505 -0.237 -7.472) 7.493 7.761 ( -1.635 -0.632 -2.019) 2.673 7.831 ( 2.972 -4.448 5.492) 7.667 8.154 ( 4.855 -4.958 2.699) 7.445 8.356 ( 0.438 1.061 11.604) 11.660 8.623 ( 4.573 4.522 2.183) 6.792 8.697 ( -4.720 -5.092 2.184) 7.278 8.849 ( -3.890 0.231 2.439) 4.597 8.987 ( -1.604 -1.493 -2.563) 3.372 9.005 ( -3.778 -2.828 -1.852) 5.070 9.332 ( 1.583 -6.232 1.383) 6.577 9.517 ( 7.513 -6.088 -1.061) 9.728 9.902 ( 5.943 -1.333 -1.108) 6.191 10.154 ( 0.885 -1.892 -0.671) 2.194 10.217 ( 3.340 -3.625 0.887) 5.008 10.535 ( -0.006 1.170 -1.562) 1.952 10.853 ( 1.234 3.794 -1.850) 4.398 10.923 ( -2.540 0.091 4.074) 4.802 11.235 ( -4.953 3.837 -3.233) 7.050 11.508 ( -8.621 2.759 2.121) 9.297 12.020 ( 3.108 -3.274 -0.910) 4.605 12.108 ( 3.859 -2.538 0.170) 4.622 12.719 ( 4.314 -3.321 -2.120) 5.843 12.890 ( 3.206 -3.303 0.316) 4.614 13.157 ( -1.696 -0.271 0.052) 1.719 13.316 ( 0.567 -2.937 -2.286) 3.765 13.596 ( 0.168 1.948 -0.280) 1.975 13.694 ( -3.033 1.724 6.119) 7.044 13.828 ( -1.540 -4.288 4.336) 6.290 14.016 ( 1.140 1.580 0.691) 2.067 14.458 ( -0.731 2.650 0.111) 2.751 14.621 ( -1.968 0.100 1.438) 2.439 14.909 ( 1.247 -2.780 1.518) 3.404 15.118 ( -0.672 4.649 -4.126) 6.252 15.388 ( -8.025 4.787 0.104) 9.345 15.510 ( -9.077 1.690 -1.565) 9.365 15.598 ( -12.970 -0.144 -2.634) 13.235 15.660 ( -8.009 1.395 3.002) 8.666 16.476 ( 1.325 1.128 2.225) 2.825 16.703 ( 1.917 1.716 -1.530) 2.994 16.821 ( 2.436 -0.649 -0.243) 2.533 16.935 ( -1.859 1.570 0.744) 2.545 17.066 ( -2.036 -0.289 -2.276) 3.067 17.116 ( -0.178 1.592 -2.206) 2.726 17.236 ( 1.070 -0.685 3.100) 3.350 17.254 ( 0.855 -0.979 -0.326) 1.340 19.711 ( -2.673 1.243 1.985) 3.554 19.916 ( -2.971 1.365 -3.765) 4.986 21.355 ( 3.457 -4.547 2.545) 6.254 21.472 ( 2.084 -3.371 -2.874) 4.896 23.033 ( 2.846 0.436 4.517) 5.357 23.286 ( 4.132 1.450 -6.042) 7.462 27.957 ( -2.597 -3.025 5.802) 7.039 28.025 ( 1.127 -3.203 -2.530) 4.234 29.464 ( -2.567 3.733 1.308) 4.716 29.708 ( 0.050 1.239 -1.445) 1.904 29.839 ( -2.490 -1.374 2.143) 3.561 30.031 ( -2.032 -1.271 -1.233) 2.696 31.022 ( -2.635 1.207 2.354) 3.734 31.045 ( 1.037 1.509 -1.831) 2.589 31.433 ( 4.746 5.822 0.045) 7.512 31.622 ( -2.108 -0.959 2.107) 3.131 31.918 ( 3.501 0.481 2.255) 4.193 31.981 ( -0.939 -4.022 -1.203) 4.302 32.066 ( 3.655 -0.706 -2.078) 4.263 32.282 ( 7.784 0.853 -0.289) 7.836 32.461 ( 0.154 4.327 -3.182) 5.373 32.502 ( -0.785 2.936 -1.174) 3.258 32.613 ( -7.971 0.626 1.275) 8.097 33.156 ( -5.992 -0.866 -12.755) 14.119 34.436 ( -1.934 4.146 3.377) 5.687 34.742 ( 4.220 3.294 4.006) 6.686 34.930 ( -0.119 1.962 9.739) 9.935 35.462 ( -4.639 -5.152 -0.071) 6.933 35.723 ( -3.750 -3.954 0.898) 5.523 36.072 ( -5.660 -2.270 1.828) 6.366 36.343 ( 15.608 -6.834 -5.005) 17.759 37.361 ( -4.073 -9.248 -0.437) 10.114 ======================= Grid point 90 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -28.110 10.888 6.051) 30.747 1.272 ( -10.662 22.639 15.819) 29.605 1.691 ( -9.274 16.723 23.458) 30.265 1.930 ( -4.009 5.973 -1.071) 7.273 2.133 ( -4.778 12.263 -6.763) 14.797 2.525 ( -1.428 1.712 -3.346) 4.021 2.752 ( -3.461 -4.766 2.252) 6.306 2.875 ( -5.052 2.738 -1.218) 5.874 3.186 ( -1.235 -2.465 5.317) 5.990 3.215 ( -0.031 1.077 2.897) 3.090 3.270 ( 5.191 -6.854 2.649) 8.997 3.521 ( 1.757 4.980 0.397) 5.296 3.667 ( -2.378 2.837 -3.771) 5.285 3.711 ( 0.851 1.345 -13.486) 13.579 3.841 ( -3.919 3.420 -0.302) 5.210 3.961 ( -1.606 3.131 -3.033) 4.645 4.118 ( 0.948 1.949 0.805) 2.312 4.222 ( -0.921 7.585 -1.173) 7.730 4.294 ( -4.722 2.806 -2.639) 6.094 4.402 ( -0.197 1.186 -2.166) 2.477 4.496 ( 0.173 -0.060 0.082) 0.200 4.622 ( -1.484 2.288 2.916) 3.992 4.696 ( -0.641 1.966 0.277) 2.086 4.852 ( -1.926 -4.879 1.688) 5.510 4.912 ( 3.010 4.776 -0.030) 5.646 5.040 ( -1.027 1.334 -4.551) 4.852 5.188 ( 2.355 4.063 -4.818) 6.728 5.277 ( -2.203 -1.769 4.814) 5.582 5.489 ( -0.850 0.412 -4.510) 4.608 5.864 ( 9.744 -4.812 0.913) 10.905 5.993 ( 10.523 -4.380 1.196) 11.461 6.123 ( 3.156 2.931 -15.267) 15.863 6.335 ( 8.077 -1.786 -0.025) 8.272 6.582 ( 0.957 -0.248 -2.177) 2.391 7.310 ( -0.000 -2.168 -3.211) 3.874 7.441 ( 0.522 -1.261 6.112) 6.262 7.575 ( -1.467 -0.405 -5.861) 6.056 7.737 ( -1.552 -0.687 -2.158) 2.745 7.961 ( 3.117 -4.671 8.673) 10.332 8.305 ( 8.835 -3.973 12.495) 15.810 8.435 ( 1.796 -4.268 2.353) 5.194 8.597 ( 3.735 3.744 7.053) 8.815 8.744 ( -4.792 -4.821 4.996) 8.436 8.823 ( -1.237 0.460 2.034) 2.425 9.002 ( 1.219 -1.283 -4.232) 4.587 9.021 ( -4.306 -4.114 -0.304) 5.963 9.470 ( 1.854 -7.609 1.438) 7.963 9.679 ( 5.412 -5.957 -3.522) 8.785 9.981 ( 7.039 -0.878 -1.202) 7.195 10.186 ( 0.776 -0.864 -0.217) 1.181 10.296 ( 1.909 -1.252 2.537) 3.413 10.489 ( -0.905 2.425 -2.801) 3.814 10.830 ( 5.153 1.519 -3.254) 6.281 10.901 ( -2.793 0.831 4.579) 5.427 11.096 ( -6.101 4.934 -2.609) 8.269 11.365 ( -11.191 3.294 1.484) 11.760 12.129 ( 5.360 -4.567 -0.037) 7.042 12.206 ( 4.893 -3.781 0.079) 6.184 12.824 ( 5.013 -4.312 -2.161) 6.957 12.977 ( 1.811 -3.839 -1.253) 4.427 13.151 ( -1.125 -0.774 3.427) 3.689 13.362 ( -0.211 -2.554 1.076) 2.780 13.584 ( 1.580 0.299 -1.144) 1.973 13.649 ( -1.195 2.460 2.297) 3.572 13.918 ( -4.324 -7.617 6.135) 10.693 13.999 ( 2.165 2.320 -0.014) 3.174 14.396 ( -1.775 3.251 -0.125) 3.706 14.590 ( -0.068 2.981 1.450) 3.316 14.959 ( -1.171 -0.939 0.458) 1.569 14.976 ( -9.652 4.560 1.873) 10.838 15.216 ( -15.529 2.318 -1.114) 15.741 15.381 ( -10.453 0.669 -3.343) 10.995 15.462 ( -7.881 1.374 -4.955) 9.410 15.563 ( -13.784 -0.733 1.595) 13.896 16.513 ( 3.500 -2.112 1.369) 4.311 16.697 ( 2.783 1.309 -1.656) 3.493 16.813 ( -1.299 1.808 0.124) 2.230 16.929 ( 2.138 -0.069 1.496) 2.610 17.017 ( -3.231 1.726 -4.722) 5.977 17.075 ( -1.043 1.798 -0.130) 2.082 17.274 ( 2.378 0.504 0.067) 2.432 17.290 ( -1.486 -4.853 5.906) 7.788 19.675 ( -2.384 0.563 1.527) 2.887 19.850 ( -3.115 1.474 -3.802) 5.131 21.466 ( 2.108 -4.247 2.022) 5.155 21.545 ( 2.204 -3.472 -2.643) 4.888 23.077 ( 5.425 0.402 2.733) 6.088 23.279 ( 4.842 2.345 -6.033) 8.083 28.036 ( -1.829 -6.847 4.872) 8.600 28.098 ( -3.028 -7.410 2.647) 8.431 29.375 ( -2.238 4.384 2.825) 5.675 29.674 ( -3.558 1.212 1.109) 3.919 29.845 ( -0.992 -1.243 0.934) 1.844 30.038 ( -0.801 -2.079 -2.558) 3.392 30.961 ( -3.365 2.865 3.261) 5.493 31.045 ( 1.471 -0.685 -4.069) 4.381 31.370 ( 4.282 6.906 -0.738) 8.159 31.641 ( 0.309 -1.286 4.008) 4.221 31.932 ( 4.791 3.107 -1.073) 5.811 32.035 ( -1.348 -4.118 -2.241) 4.879 32.114 ( 6.601 0.429 -0.757) 6.658 32.325 ( 1.810 0.178 0.399) 1.862 32.367 ( 6.215 8.361 -5.734) 11.891 32.436 ( 1.020 4.412 -0.144) 4.531 32.521 ( -11.469 -0.317 -0.481) 11.483 32.988 ( -13.255 5.595 -21.204) 25.625 34.377 ( -0.376 2.530 2.622) 3.663 34.648 ( 3.206 9.412 -3.160) 10.433 35.082 ( 4.010 -11.154 20.976) 24.093 35.510 ( -3.563 -4.396 6.629) 8.716 35.748 ( -4.391 -3.294 0.635) 5.526 36.020 ( -9.985 -0.735 1.992) 10.208 36.656 ( 19.903 -9.814 0.856) 22.208 37.514 ( -4.349 -13.949 -0.892) 14.638 ======================= Grid point 91 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -22.717 10.680 16.074) 29.808 0.833 ( -9.353 22.272 19.532) 31.065 1.405 ( -16.363 13.422 47.587) 52.081 1.789 ( -7.678 2.037 -11.461) 13.945 1.868 ( -3.703 8.839 -14.599) 17.463 2.534 ( 3.027 -0.352 5.197) 6.024 2.696 ( -6.184 0.231 -2.061) 6.522 2.918 ( 0.600 -4.581 0.523) 4.650 3.116 ( -5.139 5.296 6.687) 9.958 3.272 ( -0.077 -3.048 5.621) 6.395 3.383 ( -0.302 -1.133 2.898) 3.126 3.467 ( -0.516 1.015 3.715) 3.885 3.607 ( 0.475 0.852 -8.403) 8.459 3.662 ( 6.631 2.251 -17.326) 18.688 3.766 ( -3.952 1.826 -2.600) 5.071 3.890 ( 1.274 3.061 -1.064) 3.482 4.108 ( 0.090 1.086 1.122) 1.564 4.157 ( -0.290 1.010 -5.226) 5.330 4.183 ( -1.391 3.660 -6.089) 7.239 4.362 ( 0.109 1.303 -1.171) 1.755 4.542 ( -3.314 -2.509 2.818) 5.023 4.574 ( 1.594 -0.301 1.983) 2.562 4.669 ( 0.318 2.294 -3.788) 4.440 4.836 ( -2.596 4.033 1.868) 5.147 4.873 ( -4.750 -1.057 -5.104) 7.052 4.948 ( 1.896 2.571 -4.554) 5.563 5.180 ( -1.696 1.500 3.614) 4.265 5.308 ( 0.575 -0.717 7.215) 7.273 5.482 ( 4.732 0.710 -4.422) 6.516 5.866 ( 1.589 16.946 -18.907) 25.439 6.065 ( 4.526 -3.555 1.897) 6.060 6.155 ( 9.061 -2.373 -1.115) 9.433 6.396 ( 1.032 0.609 3.979) 4.155 6.598 ( 2.170 -0.641 -3.286) 3.990 7.342 ( 3.191 -0.958 -2.110) 3.943 7.479 ( -3.856 -2.234 1.318) 4.647 7.563 ( -0.880 -1.473 1.865) 2.534 7.752 ( 1.134 -1.499 -3.322) 3.817 8.101 ( 0.801 -6.306 7.429) 9.778 8.453 ( 1.234 -2.466 -5.297) 5.971 8.558 ( 7.165 -3.835 8.194) 11.541 8.636 ( 2.436 -0.446 10.906) 11.183 8.794 ( -3.368 -2.114 1.159) 4.142 8.875 ( 15.224 -3.601 12.403) 19.964 9.036 ( 1.760 -3.829 0.353) 4.229 9.059 ( -2.595 -4.067 2.758) 5.557 9.615 ( 1.951 -6.442 0.731) 6.771 9.777 ( 2.031 -3.053 -5.384) 6.514 10.049 ( 5.449 -0.088 -0.897) 5.523 10.194 ( 1.002 0.502 -1.402) 1.795 10.294 ( -2.998 1.277 4.484) 5.543 10.449 ( 1.804 1.831 -3.986) 4.743 10.865 ( 0.595 -0.009 0.369) 0.700 10.876 ( 2.309 0.625 -0.495) 2.443 10.967 ( -1.155 4.246 -0.222) 4.406 11.211 ( -11.466 2.145 0.519) 11.676 12.243 ( 4.495 -2.756 0.827) 5.337 12.312 ( 3.856 -3.264 0.518) 5.079 12.934 ( 4.656 -3.641 -0.741) 5.957 13.030 ( 0.021 -2.505 -3.606) 4.391 13.196 ( 2.641 -1.151 6.717) 7.309 13.417 ( 1.808 -3.195 2.156) 4.257 13.585 ( -2.609 -0.125 2.108) 3.356 13.626 ( 4.675 1.701 -1.682) 5.251 13.957 ( 2.089 1.829 -4.605) 5.378 14.058 ( -13.922 -14.218 8.437) 21.614 14.323 ( -0.505 3.440 -0.239) 3.485 14.535 ( 3.925 6.549 1.131) 7.718 14.786 ( -28.431 3.606 -8.976) 30.031 14.843 ( -7.507 3.148 0.952) 8.196 15.106 ( -11.465 -6.440 3.441) 13.593 15.290 ( -7.874 -0.539 -3.521) 8.642 15.391 ( -0.826 1.040 -4.078) 4.288 15.436 ( -10.498 1.441 0.527) 10.609 16.604 ( 4.303 -3.214 -0.790) 5.429 16.697 ( 1.734 0.846 -1.586) 2.498 16.772 ( -1.037 1.220 1.039) 1.909 16.920 ( -3.909 3.034 0.971) 5.042 16.970 ( 2.801 0.166 -1.413) 3.142 17.049 ( -0.890 -0.242 -0.462) 1.031 17.281 ( 1.954 1.138 1.899) 2.952 17.422 ( -5.506 -12.786 4.910) 14.761 19.660 ( -2.236 -0.870 1.644) 2.908 19.787 ( -1.485 2.462 -3.995) 4.922 21.537 ( -0.720 -2.689 1.062) 2.979 21.602 ( 1.639 -1.897 -2.065) 3.248 23.111 ( 4.927 3.344 -0.231) 5.959 23.270 ( 4.139 1.456 -4.154) 6.042 28.138 ( 6.209 -2.535 -3.568) 7.596 28.280 ( -25.451 -25.966 9.088) 37.478 29.345 ( 7.499 0.193 9.684) 12.249 29.606 ( -5.342 2.168 2.220) 6.178 29.873 ( 0.525 -2.053 1.726) 2.733 30.067 ( 0.388 -2.228 -2.898) 3.676 30.902 ( -4.516 0.220 4.103) 6.106 31.075 ( 2.427 -2.576 -5.669) 6.683 31.280 ( 3.212 7.577 -1.801) 8.425 31.617 ( 2.214 14.585 -9.325) 17.452 31.887 ( -0.440 2.079 -4.055) 4.578 32.060 ( -3.396 -1.455 -5.509) 6.633 32.180 ( 14.136 4.318 2.038) 14.920 32.228 ( 1.641 9.710 -7.618) 12.451 32.335 ( 1.140 1.250 -0.978) 1.954 32.381 ( 1.767 4.529 -3.165) 5.800 32.395 ( -10.695 0.967 0.718) 10.763 32.614 ( -15.758 10.111 -7.177) 20.051 34.359 ( 0.597 0.571 1.739) 1.925 34.522 ( 0.898 6.352 -2.765) 6.986 35.399 ( 6.886 -8.120 4.822) 11.688 35.650 ( -6.214 -16.852 12.681) 21.987 35.753 ( 1.653 -0.090 2.699) 3.167 35.944 ( -7.194 -0.155 1.425) 7.335 37.102 ( 24.019 -20.428 22.940) 38.993 37.713 ( -1.603 -12.026 -1.006) 12.174 ======================= Grid point 93 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.718 -0.000 23.668) 23.730 1.209 ( 9.879 -0.000 32.928) 34.378 1.513 ( 13.085 -0.000 -13.881) 19.077 1.557 ( 21.177 -0.000 28.907) 35.834 1.728 ( 7.184 -0.000 -7.206) 10.175 2.707 ( 8.973 -0.000 -6.907) 11.323 2.891 ( -4.817 0.000 -5.372) 7.216 2.928 ( 7.395 -0.000 10.381) 12.746 3.041 ( 2.630 -0.000 4.616) 5.313 3.231 ( 0.392 -0.000 -2.829) 2.856 3.387 ( 2.632 -0.000 4.354) 5.088 3.541 ( 2.089 -0.000 8.252) 8.512 3.548 ( 1.326 -0.000 -21.574) 21.615 3.652 ( 0.367 -0.000 2.400) 2.428 3.740 ( 7.053 -0.000 -5.278) 8.809 3.920 ( 0.610 -0.000 -0.750) 0.967 3.955 ( -3.271 0.000 -9.548) 10.093 4.228 ( -1.309 0.000 -2.200) 2.559 4.268 ( 1.091 -0.000 2.117) 2.381 4.287 ( 4.703 -0.000 -5.114) 6.948 4.531 ( 0.183 -0.000 4.174) 4.178 4.578 ( -8.277 0.000 0.490) 8.291 4.611 ( 2.790 -0.000 -7.516) 8.017 4.804 ( 5.190 -0.000 -6.957) 8.680 4.938 ( -4.219 0.000 14.094) 14.712 5.000 ( 6.636 -0.000 -7.532) 10.038 5.006 ( 7.022 -0.000 -11.962) 13.870 5.449 ( -3.407 0.000 -0.144) 3.410 5.505 ( 5.798 -0.000 2.685) 6.389 5.708 ( 4.575 -0.000 -1.424) 4.791 6.081 ( -7.615 0.000 1.741) 7.812 6.116 ( -10.472 0.000 -2.480) 10.762 6.311 ( -7.816 0.000 6.361) 10.078 6.529 ( -6.554 0.000 -3.109) 7.254 7.272 ( -8.350 0.000 -4.146) 9.322 7.533 ( 3.288 -0.000 4.609) 5.661 7.603 ( -0.847 0.000 2.470) 2.611 7.734 ( 1.874 -0.000 -2.684) 3.274 8.143 ( -3.248 0.000 7.041) 7.754 8.353 ( -15.415 0.000 6.469) 16.717 8.538 ( -9.442 0.000 2.682) 9.816 8.539 ( -7.687 0.000 6.019) 9.763 8.813 ( 3.832 -0.000 3.902) 5.469 8.944 ( -7.811 0.000 -0.692) 7.842 9.131 ( 2.504 -0.000 3.601) 4.386 9.160 ( -0.379 0.000 2.219) 2.251 9.611 ( -5.996 0.000 1.120) 6.100 9.746 ( -3.537 0.000 -4.798) 5.961 10.079 ( -6.522 0.000 -4.372) 7.852 10.125 ( 2.239 -0.000 0.400) 2.275 10.191 ( -4.890 0.000 4.639) 6.741 10.446 ( 3.065 -0.000 -2.154) 3.747 10.837 ( 0.515 -0.000 -2.121) 2.183 10.941 ( -4.700 0.000 0.323) 4.711 11.131 ( 11.551 -0.000 -4.785) 12.503 11.187 ( 10.587 -0.000 4.474) 11.494 12.261 ( -7.829 0.000 -1.137) 7.911 12.275 ( -5.587 0.000 1.433) 5.768 12.924 ( -0.679 0.000 -2.574) 2.662 12.964 ( -3.980 0.000 -2.234) 4.564 13.261 ( -3.781 0.000 5.331) 6.535 13.376 ( -10.893 0.000 3.311) 11.385 13.543 ( -0.748 0.000 0.583) 0.948 13.596 ( 3.873 -0.000 -1.946) 4.335 13.818 ( 4.343 -0.000 1.091) 4.478 14.251 ( 14.243 -0.000 8.714) 16.697 14.379 ( 8.617 -0.000 -0.493) 8.631 14.394 ( 6.804 -0.000 -3.140) 7.494 14.891 ( -3.071 0.000 -0.553) 3.121 14.921 ( 15.533 -0.000 -1.683) 15.624 15.094 ( -5.137 0.000 3.587) 6.266 15.417 ( 8.349 -0.000 -1.842) 8.550 15.568 ( 9.252 -0.000 1.149) 9.323 15.649 ( 41.048 -0.000 -27.679) 49.508 16.588 ( -5.272 0.000 -1.962) 5.625 16.683 ( -3.819 0.000 -1.969) 4.297 16.750 ( -1.374 0.000 2.445) 2.805 16.834 ( 2.019 -0.000 1.737) 2.664 17.028 ( 0.886 -0.000 0.104) 0.892 17.062 ( 0.127 -0.000 -0.699) 0.711 17.219 ( -10.822 0.000 4.585) 11.753 17.293 ( -3.400 0.000 5.492) 6.459 19.691 ( 3.291 -0.000 1.131) 3.480 19.812 ( 7.425 -0.000 -0.202) 7.427 21.530 ( -1.871 0.000 0.493) 1.935 21.604 ( -2.384 0.000 -1.461) 2.796 23.019 ( -8.240 0.000 4.157) 9.229 23.193 ( -4.538 0.000 -5.334) 7.003 27.828 ( -5.724 0.000 7.137) 9.149 28.382 ( 3.795 -0.000 7.963) 8.821 29.455 ( 2.956 -0.000 -3.029) 4.233 29.858 ( 3.517 -0.000 -1.845) 3.971 29.941 ( 0.218 -0.000 2.911) 2.919 30.042 ( -2.696 0.000 -3.477) 4.400 30.843 ( 1.099 -0.000 1.696) 2.021 31.055 ( 0.071 -0.000 1.815) 1.816 31.184 ( 0.755 -0.000 -2.010) 2.147 31.243 ( 3.138 -0.000 -1.854) 3.645 31.937 ( -3.150 0.000 1.654) 3.557 31.961 ( 2.783 -0.000 2.419) 3.687 32.129 ( -1.419 0.000 -1.253) 1.893 32.213 ( -3.200 0.000 -3.016) 4.397 32.349 ( 4.322 -0.000 0.946) 4.424 32.356 ( 2.305 -0.000 -0.066) 2.306 32.494 ( 6.666 -0.000 -1.947) 6.945 32.955 ( 25.643 -0.000 -18.901) 31.856 34.379 ( -0.624 0.000 1.771) 1.878 34.409 ( -2.410 0.000 -2.449) 3.436 35.287 ( -18.112 0.000 11.288) 21.342 35.618 ( 1.662 -0.000 7.046) 7.240 35.881 ( 0.158 -0.000 -3.233) 3.236 35.917 ( 2.773 -0.000 0.239) 2.784 37.675 ( -17.446 0.000 7.603) 19.030 37.695 ( -8.451 0.000 -5.192) 9.918 ======================= Grid point 94 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 2.121 -17.229 17.301) 24.508 1.396 ( -0.410 -8.714 28.342) 29.654 1.637 ( 20.107 -0.234 -5.181) 20.765 1.830 ( 15.396 -8.358 -13.930) 22.381 1.960 ( 20.735 -2.173 24.836) 32.427 2.695 ( -1.002 6.743 -5.420) 8.709 2.802 ( 5.253 3.519 -3.891) 7.424 2.996 ( 3.614 1.211 1.970) 4.291 3.096 ( -0.763 -3.284 8.125) 8.797 3.259 ( 0.466 -0.388 -0.078) 0.611 3.452 ( 0.569 0.912 -1.175) 1.592 3.525 ( 7.435 -7.973 -16.056) 19.408 3.596 ( 2.405 -1.214 3.176) 4.165 3.686 ( 1.314 -2.868 3.380) 4.623 3.807 ( 3.938 -0.964 -2.828) 4.943 3.861 ( -4.043 0.141 -6.730) 7.853 4.004 ( 0.456 -5.783 -3.833) 6.953 4.200 ( 0.983 0.121 0.376) 1.060 4.297 ( -0.482 -1.451 0.944) 1.797 4.340 ( 9.292 1.696 -5.327) 10.844 4.460 ( -10.025 1.389 2.971) 10.548 4.580 ( 5.050 -1.511 1.935) 5.615 4.631 ( 2.342 -3.072 -7.078) 8.064 4.801 ( 4.408 1.720 -3.064) 5.637 4.953 ( 3.461 3.982 -4.265) 6.785 4.982 ( -1.122 -3.365 12.133) 12.641 5.105 ( 2.281 -2.428 -8.319) 8.961 5.478 ( 1.125 -1.323 -1.249) 2.139 5.577 ( 2.327 -2.291 -3.851) 5.049 5.768 ( 1.217 -3.153 -2.076) 3.967 5.912 ( -10.365 4.351 -2.026) 11.422 6.062 ( -8.023 -1.925 -0.260) 8.254 6.196 ( -11.724 4.174 4.648) 13.284 6.496 ( -7.854 -4.970 -1.793) 9.466 7.188 ( -7.632 -1.034 -2.655) 8.146 7.512 ( -2.611 4.400 3.273) 6.073 7.591 ( 0.056 0.932 4.016) 4.123 7.752 ( 6.099 2.231 -3.452) 7.355 8.114 ( -3.084 2.221 8.021) 8.876 8.230 ( -12.376 -0.994 11.640) 17.019 8.422 ( -7.924 4.030 0.037) 8.891 8.509 ( -7.360 -2.309 3.593) 8.509 8.868 ( 2.062 -0.856 0.942) 2.423 8.898 ( -3.046 -0.520 -1.287) 3.348 9.139 ( 3.516 3.537 0.916) 5.071 9.144 ( 3.857 2.903 -0.816) 4.896 9.512 ( -6.922 4.223 2.120) 8.381 9.663 ( -3.795 3.458 -4.415) 6.771 9.985 ( -8.989 1.186 -3.313) 9.653 10.139 ( -5.166 0.602 5.771) 7.769 10.170 ( -0.287 -1.750 -1.398) 2.258 10.491 ( 4.180 -1.552 -2.082) 4.920 10.827 ( 0.640 0.532 -1.044) 1.335 10.929 ( -2.677 -1.685 1.827) 3.653 11.230 ( 11.064 -0.635 -4.829) 12.089 11.327 ( 10.995 -2.643 4.514) 12.176 12.158 ( -7.212 2.519 -1.145) 7.724 12.195 ( -6.615 2.563 0.469) 7.110 12.829 ( -0.733 6.001 -3.107) 6.797 12.982 ( -1.142 -1.769 -2.536) 3.296 13.237 ( -5.720 -0.681 3.247) 6.612 13.281 ( -7.783 0.787 2.093) 8.098 13.541 ( 0.551 -0.230 -1.020) 1.182 13.630 ( 2.308 -0.834 -0.315) 2.474 13.852 ( 2.809 0.531 3.503) 4.521 14.245 ( 4.709 8.562 3.172) 10.273 14.469 ( 14.338 2.463 -0.622) 14.561 14.554 ( 7.514 -4.507 0.336) 8.768 14.864 ( -3.802 -0.591 0.535) 3.885 15.082 ( -2.349 -2.538 -0.482) 3.492 15.147 ( 20.794 -5.195 5.099) 22.032 15.482 ( 10.610 2.116 -2.104) 11.022 15.670 ( 8.932 -0.679 1.839) 9.145 15.773 ( 25.445 11.531 -15.365) 31.883 16.532 ( -4.895 -0.055 -0.963) 4.989 16.685 ( -3.731 -5.565 -5.991) 8.988 16.766 ( 1.397 -0.252 2.016) 2.466 16.846 ( 1.661 0.419 1.952) 2.597 17.038 ( 0.214 -0.571 -0.829) 1.029 17.063 ( -1.128 -0.458 1.878) 2.238 17.161 ( -3.841 -0.656 2.079) 4.416 17.269 ( -5.073 0.017 3.919) 6.411 19.723 ( 4.742 1.013 1.798) 5.171 19.899 ( 9.041 -0.288 -1.381) 9.150 21.476 ( -4.197 3.148 1.236) 5.389 21.562 ( -4.173 0.831 -1.887) 4.654 22.961 ( -9.698 -1.864 3.642) 10.526 23.168 ( -4.048 -3.748 -6.396) 8.447 27.821 ( -1.029 -0.569 4.036) 4.204 28.367 ( -1.042 5.729 7.235) 9.288 29.513 ( 7.196 -1.835 -4.087) 8.476 29.763 ( 1.561 8.721 3.417) 9.496 29.930 ( -0.344 2.926 1.453) 3.285 30.031 ( 0.388 -1.065 -2.570) 2.809 30.880 ( 2.747 -1.415 0.552) 3.139 31.120 ( 2.096 1.072 -2.922) 3.752 31.213 ( -3.789 -11.661 -2.117) 12.443 31.366 ( -0.486 -8.838 2.109) 9.099 31.889 ( -1.695 2.883 4.263) 5.418 31.952 ( 0.548 3.193 -1.314) 3.496 32.130 ( -3.056 -0.882 -3.002) 4.374 32.192 ( -2.523 -2.130 -1.414) 3.592 32.392 ( 4.122 -0.589 -0.965) 4.274 32.406 ( 5.535 -1.377 0.699) 5.747 32.594 ( 9.374 -2.342 0.938) 9.708 33.108 ( 15.692 -0.584 -17.814) 23.747 34.377 ( -1.210 -1.423 2.355) 3.006 34.435 ( -2.026 -5.220 -2.859) 6.287 35.116 ( -14.704 4.990 13.245) 20.410 35.634 ( -5.978 -2.478 3.324) 7.275 35.882 ( 8.912 3.604 1.442) 9.721 35.972 ( 4.092 -1.700 -1.009) 4.544 37.196 ( -12.308 27.211 2.957) 30.011 37.651 ( -7.225 2.916 -1.433) 7.922 ======================= Grid point 95 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.723 -14.279 15.219) 20.881 1.691 ( 1.276 -18.228 12.988) 22.418 1.853 ( 18.370 -3.874 -2.036) 18.884 2.103 ( 12.895 -11.274 -10.709) 20.201 2.144 ( 11.505 5.842 17.346) 21.619 2.532 ( -4.000 6.334 -3.635) 8.327 2.787 ( 2.652 3.027 -1.617) 4.337 2.986 ( 2.872 2.891 0.371) 4.092 3.169 ( -0.251 -2.583 7.509) 7.944 3.251 ( 0.801 3.071 2.027) 3.766 3.421 ( -0.455 -0.552 -3.921) 3.986 3.637 ( -3.233 -2.822 -5.301) 6.820 3.690 ( 6.147 -3.194 -6.265) 9.340 3.784 ( -1.355 -3.937 8.751) 9.691 3.822 ( 4.695 0.360 -7.924) 9.217 3.900 ( 0.626 -9.736 -7.045) 12.034 4.088 ( 1.174 -4.811 2.231) 5.431 4.234 ( 1.053 1.354 0.140) 1.721 4.298 ( 4.350 -4.158 0.224) 6.021 4.371 ( 6.538 1.192 -4.995) 8.314 4.462 ( -2.360 -5.509 4.613) 7.563 4.663 ( 7.035 -2.377 -0.922) 7.483 4.738 ( 0.628 -6.117 -0.690) 6.188 4.814 ( 3.673 0.811 -1.279) 3.973 4.897 ( 1.005 2.562 -2.679) 3.841 5.047 ( 0.445 0.968 8.672) 8.738 5.112 ( -4.468 -1.773 -6.408) 8.011 5.422 ( 2.419 7.890 0.720) 8.284 5.583 ( -0.853 0.706 -6.112) 6.211 5.691 ( -9.104 3.240 -2.174) 9.905 5.881 ( -1.377 -2.029 -1.347) 2.798 6.030 ( -3.791 -1.759 -6.031) 7.338 6.055 ( -8.682 -0.640 5.617) 10.360 6.504 ( -7.951 -4.794 -0.758) 9.316 7.164 ( -5.113 -4.226 -0.633) 6.663 7.426 ( -1.475 3.333 2.130) 4.222 7.576 ( -1.273 1.026 1.532) 2.241 7.741 ( 4.286 3.690 -2.872) 6.343 8.044 ( -2.204 5.541 6.104) 8.533 8.221 ( -4.182 1.747 1.586) 4.801 8.290 ( -8.253 -1.878 9.043) 12.386 8.500 ( -6.997 -3.741 2.653) 8.366 8.837 ( 0.196 3.918 -2.159) 4.478 8.906 ( 0.518 -0.063 -0.211) 0.563 9.082 ( 1.698 4.934 -1.708) 5.491 9.152 ( 7.260 2.922 -1.785) 8.027 9.374 ( -7.137 4.796 2.422) 8.934 9.546 ( -3.926 4.781 -2.510) 6.676 9.869 ( -8.637 1.033 -2.197) 8.972 10.082 ( -5.416 1.094 4.673) 7.236 10.181 ( -1.850 -0.559 -1.971) 2.760 10.547 ( 3.231 -1.059 -1.368) 3.665 10.837 ( 2.237 -0.346 -1.109) 2.521 10.943 ( -1.989 -1.723 3.520) 4.395 11.325 ( 9.666 -0.266 -4.545) 10.684 11.491 ( 9.051 -3.413 3.758) 10.377 12.043 ( -6.275 2.741 -1.769) 7.072 12.102 ( -3.003 2.508 0.721) 3.978 12.723 ( 0.367 5.149 -2.534) 5.751 12.942 ( -4.650 2.454 -0.892) 5.333 13.189 ( -5.608 -0.580 -1.344) 5.796 13.239 ( -3.271 -0.638 1.199) 3.542 13.564 ( 1.454 -1.615 -1.305) 2.535 13.671 ( 1.221 -1.957 1.703) 2.867 13.866 ( 0.485 1.877 6.596) 6.875 14.155 ( 3.349 6.623 0.974) 7.485 14.546 ( 13.816 3.873 -0.551) 14.360 14.641 ( 6.120 1.186 -0.159) 6.236 14.840 ( -3.222 -0.257 0.717) 3.310 15.115 ( -0.767 -3.570 -2.003) 4.165 15.456 ( 16.354 -5.884 6.173) 18.444 15.540 ( 11.070 2.325 -2.864) 11.669 15.737 ( 10.969 5.763 -4.505) 13.184 15.769 ( 7.784 2.338 1.713) 8.306 16.506 ( -3.409 -1.819 1.392) 4.107 16.716 ( -1.083 -2.777 -9.534) 9.989 16.780 ( 0.231 0.515 4.226) 4.264 16.891 ( 2.047 -2.857 1.561) 3.845 17.036 ( -0.680 -0.318 -1.258) 1.465 17.081 ( 1.677 -0.835 0.406) 1.917 17.159 ( -2.271 -0.830 2.298) 3.335 17.229 ( -4.926 -0.859 0.215) 5.005 19.759 ( 4.840 1.083 2.631) 5.614 19.969 ( 8.686 1.196 -3.028) 9.276 21.369 ( -5.609 4.154 2.113) 7.292 21.489 ( -5.269 1.484 -2.422) 5.986 22.931 ( -7.905 -3.235 4.436) 9.624 23.189 ( -2.821 -4.659 -6.497) 8.478 27.841 ( -0.047 -1.158 2.620) 2.865 28.244 ( -2.547 7.717 2.926) 8.637 29.607 ( 6.532 -2.650 -4.101) 8.156 29.674 ( 0.329 4.497 2.601) 5.205 29.867 ( 0.819 4.258 1.366) 4.546 30.056 ( 2.194 -0.331 -0.163) 2.225 30.937 ( 2.839 -1.972 0.262) 3.467 31.121 ( 2.244 0.427 -0.976) 2.484 31.346 ( -4.452 -9.302 -2.996) 10.739 31.514 ( -3.753 -10.026 3.986) 11.423 31.820 ( 1.252 6.798 2.719) 7.428 31.908 ( -1.507 -0.041 -0.912) 1.762 32.083 ( -4.958 0.211 -3.301) 5.960 32.206 ( -0.401 -1.039 0.108) 1.119 32.447 ( 5.117 -1.077 -1.822) 5.537 32.490 ( 4.604 -2.158 -0.144) 5.086 32.716 ( 7.654 -0.952 2.758) 8.191 33.168 ( 7.656 0.753 -13.083) 15.178 34.422 ( -1.009 -3.858 4.033) 5.672 34.519 ( -1.406 -8.084 -4.212) 9.224 34.947 ( -10.437 5.097 12.198) 16.844 35.609 ( -9.502 -2.941 -1.289) 10.030 35.923 ( 12.379 5.578 5.199) 14.539 36.024 ( 2.135 -0.433 -0.459) 2.227 36.668 ( -2.934 25.394 -2.768) 25.712 37.498 ( -5.172 6.962 -1.088) 8.741 ======================= Grid point 96 (38/95) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.641 -9.596 10.856) 14.728 2.006 ( 0.624 -9.444 9.116) 13.141 2.059 ( 8.595 -5.771 -0.706) 10.377 2.136 ( 6.831 5.014 5.464) 10.082 2.314 ( 1.840 -4.171 -5.505) 7.148 2.444 ( 7.288 1.840 -5.182) 9.130 2.735 ( -3.216 3.545 5.547) 7.327 3.006 ( 1.367 -2.051 1.442) 2.856 3.165 ( 0.964 5.920 3.259) 6.826 3.235 ( -0.567 -4.394 5.235) 6.858 3.422 ( 0.224 1.504 -2.630) 3.038 3.573 ( -7.249 -0.236 -10.690) 12.918 3.767 ( -0.930 0.758 1.722) 2.099 3.792 ( 1.557 0.295 4.451) 4.725 3.852 ( 4.841 0.446 -3.793) 6.166 4.003 ( 0.006 -5.673 -11.370) 12.706 4.170 ( -0.749 -4.247 3.362) 5.468 4.311 ( 2.119 -4.775 -1.580) 5.457 4.433 ( 1.201 -5.340 -2.613) 6.065 4.486 ( 8.687 -5.558 2.072) 10.519 4.573 ( 0.285 -7.673 6.125) 9.822 4.694 ( -1.933 3.095 4.061) 5.459 4.758 ( -0.347 1.128 -1.769) 2.127 4.864 ( 2.306 1.582 -8.017) 8.490 4.917 ( 5.341 -5.045 0.734) 7.383 4.999 ( 1.538 5.732 6.437) 8.755 5.066 ( -3.194 -2.215 -3.881) 5.493 5.348 ( 2.430 6.212 2.771) 7.224 5.507 ( -5.708 2.605 -3.288) 7.084 5.574 ( 0.889 1.799 -6.138) 6.458 5.884 ( -1.546 -1.608 1.585) 2.737 6.010 ( -1.389 -0.008 -3.746) 3.995 6.067 ( -3.261 -3.612 -0.101) 4.868 6.493 ( -8.136 -3.445 -0.372) 8.843 7.226 ( -1.578 -6.234 -0.780) 6.478 7.396 ( -0.783 -0.376 1.601) 1.822 7.565 ( 0.200 -1.425 -1.178) 1.860 7.695 ( 0.825 4.093 -1.537) 4.449 7.943 ( 1.297 7.269 2.984) 7.964 8.074 ( -5.580 5.590 0.558) 7.918 8.384 ( -3.952 -8.076 9.508) 13.086 8.518 ( -6.213 -5.286 1.586) 8.310 8.742 ( 1.160 8.013 -0.258) 8.101 8.891 ( 1.512 2.366 -0.897) 2.948 9.035 ( 1.564 1.053 -1.772) 2.588 9.138 ( 2.635 5.140 -1.369) 5.936 9.250 ( -6.016 2.887 1.038) 6.753 9.431 ( -1.585 4.168 -0.611) 4.501 9.798 ( -5.264 -1.497 -1.468) 5.667 10.046 ( -2.418 -0.106 3.527) 4.278 10.150 ( -2.465 0.344 -2.258) 3.360 10.570 ( 1.628 0.507 -1.197) 2.083 10.865 ( 0.575 -1.233 0.192) 1.374 10.969 ( 0.372 -0.861 3.027) 3.169 11.381 ( 6.905 1.828 -3.738) 8.062 11.603 ( 3.641 -0.852 2.331) 4.407 11.959 ( -3.459 0.780 -1.586) 3.884 12.064 ( 0.003 0.895 0.653) 1.108 12.661 ( 2.440 2.829 -2.300) 4.387 12.847 ( -4.998 2.041 0.408) 5.414 13.146 ( -5.171 -0.745 -0.493) 5.248 13.231 ( -1.146 -1.071 -3.138) 3.508 13.605 ( 1.107 -1.930 -0.992) 2.436 13.720 ( 0.114 -2.043 2.155) 2.972 13.832 ( -1.480 3.876 8.590) 9.540 14.106 ( 3.305 3.703 1.516) 5.189 14.601 ( 12.341 4.499 -0.231) 13.138 14.656 ( 6.225 3.037 -0.725) 6.964 14.818 ( -2.153 -0.210 0.905) 2.345 15.164 ( 1.443 -2.610 -4.071) 5.047 15.583 ( 7.764 2.182 -1.780) 8.259 15.625 ( 4.707 0.282 3.065) 5.623 15.698 ( 2.161 4.590 -1.827) 5.392 15.818 ( 4.626 1.030 2.414) 5.318 16.532 ( -1.054 -2.357 2.429) 3.545 16.710 ( 0.655 -0.524 -5.600) 5.662 16.779 ( -0.566 0.742 2.447) 2.619 16.967 ( 1.080 -3.625 1.013) 3.916 17.026 ( -1.118 0.589 -1.116) 1.686 17.123 ( 3.043 -1.373 0.310) 3.353 17.142 ( -3.672 -0.610 -0.414) 3.745 17.222 ( -2.100 -1.971 -0.723) 2.970 19.786 ( 3.465 1.613 3.019) 4.871 20.003 ( 6.312 2.144 -3.932) 7.740 21.266 ( -4.710 2.353 2.654) 5.896 21.414 ( -4.457 0.572 -2.753) 5.270 22.942 ( -5.564 -3.855 5.349) 8.628 23.227 ( -0.715 -3.996 -6.245) 7.448 27.871 ( 0.067 -1.670 1.862) 2.502 28.106 ( -1.981 6.245 0.365) 6.562 29.611 ( -0.758 2.676 -1.183) 3.022 29.695 ( 3.575 -2.459 -2.105) 4.822 29.833 ( 2.799 2.664 3.251) 5.050 30.065 ( 1.194 1.489 0.184) 1.918 30.992 ( 1.905 -1.567 0.181) 2.474 31.130 ( 1.641 0.856 0.425) 1.899 31.440 ( -2.634 -7.315 -1.357) 7.892 31.641 ( -5.047 -8.488 1.642) 10.010 31.723 ( 2.715 6.579 2.447) 7.526 31.915 ( -0.012 -1.078 0.901) 1.405 32.024 ( -4.789 -0.229 -3.031) 5.673 32.227 ( 2.381 -0.714 0.105) 2.488 32.503 ( 4.018 -0.764 -2.130) 4.611 32.550 ( 2.986 -0.603 -0.813) 3.153 32.768 ( 3.337 2.017 2.177) 4.466 33.168 ( 2.554 0.904 -8.314) 8.745 34.495 ( -1.430 -4.168 5.220) 6.831 34.645 ( -0.332 -7.983 -3.304) 8.646 34.835 ( -6.549 1.262 10.102) 12.105 35.538 ( -12.520 -1.546 -4.473) 13.384 35.896 ( 4.343 11.208 5.366) 13.163 36.036 ( 8.351 2.180 -2.899) 9.105 36.349 ( 6.315 13.027 -2.407) 14.676 37.337 ( -6.072 5.280 -0.647) 8.073 ======================= Grid point 97 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -1.088 3.376 7.721) 8.497 2.050 ( 2.256 -0.495 3.845) 4.485 2.114 ( -2.565 7.824 6.440) 10.453 2.209 ( 3.225 -4.291 -1.643) 5.613 2.365 ( 7.677 0.194 -2.058) 7.951 2.455 ( 1.248 4.266 -5.455) 7.037 2.686 ( -3.936 -3.981 9.679) 11.182 3.065 ( -1.284 -5.492 1.660) 5.879 3.137 ( 3.859 3.037 6.809) 8.395 3.324 ( -0.271 8.056 -0.705) 8.091 3.345 ( -3.840 -0.025 1.536) 4.136 3.491 ( -1.429 -3.760 -9.195) 10.036 3.713 ( -3.024 0.563 7.284) 7.906 3.816 ( 5.406 1.418 -9.802) 11.283 3.878 ( 2.118 0.934 -0.095) 2.317 4.066 ( -0.137 -5.060 -7.530) 9.073 4.209 ( -4.670 -0.633 -2.415) 5.295 4.284 ( -7.315 2.981 0.468) 7.913 4.496 ( -2.483 -3.721 0.179) 4.477 4.576 ( 0.761 1.202 2.851) 3.187 4.581 ( -4.685 0.850 3.543) 5.935 4.713 ( 2.661 -0.016 0.156) 2.666 4.764 ( -1.505 0.226 3.718) 4.017 4.854 ( -0.142 -1.685 -2.826) 3.293 4.915 ( 3.607 0.291 -1.085) 3.778 5.036 ( 1.400 1.572 -3.649) 4.213 5.206 ( 8.364 -0.857 -0.131) 8.409 5.263 ( 6.842 -2.471 2.381) 7.654 5.445 ( -2.215 -0.938 -3.162) 3.973 5.600 ( 8.480 0.242 -0.931) 8.534 5.910 ( -1.971 -0.783 0.725) 2.242 5.961 ( -1.786 0.577 -3.460) 3.936 6.099 ( -1.382 -3.620 -1.519) 4.162 6.480 ( -7.416 -4.305 -0.783) 8.611 7.280 ( -0.531 -1.325 -1.814) 2.308 7.443 ( -0.650 -4.816 0.022) 4.860 7.611 ( 2.099 4.181 0.937) 4.771 7.651 ( 1.990 -4.977 -0.959) 5.446 7.838 ( 1.353 6.848 -1.337) 7.107 7.995 ( -2.698 -0.979 2.427) 3.759 8.492 ( -4.525 -6.501 5.006) 9.370 8.569 ( -2.465 -2.342 -0.191) 3.406 8.610 ( -0.382 5.220 7.054) 8.783 8.870 ( 2.144 1.449 -2.944) 3.919 9.012 ( -3.545 4.230 -0.724) 5.567 9.053 ( -0.753 3.898 0.746) 4.040 9.174 ( -3.773 -2.063 0.037) 4.301 9.409 ( 3.862 0.042 -0.050) 3.862 9.814 ( -0.586 -4.043 -0.828) 4.168 10.056 ( -0.556 -1.376 1.323) 1.988 10.142 ( 1.008 -1.764 -0.632) 2.127 10.562 ( 0.605 0.882 -1.726) 2.031 10.883 ( -2.585 -1.421 2.446) 3.832 10.981 ( 2.501 1.976 0.441) 3.218 11.370 ( 3.553 4.154 -3.055) 6.262 11.594 ( -3.189 2.477 1.678) 4.373 11.943 ( -0.515 -1.369 -1.111) 1.837 12.066 ( 0.719 -0.347 0.514) 0.949 12.662 ( 4.670 0.349 -2.694) 5.402 12.810 ( -1.649 -1.120 1.355) 2.410 13.115 ( -5.521 -1.661 -0.395) 5.779 13.230 ( -1.692 -1.774 -4.382) 5.021 13.636 ( 1.159 -0.627 -1.161) 1.756 13.745 ( -1.723 -1.176 2.925) 3.592 13.784 ( 0.104 3.501 8.263) 8.975 14.090 ( 2.225 2.476 3.248) 4.651 14.608 ( 7.241 5.455 -0.598) 9.085 14.678 ( 10.300 3.893 0.442) 11.020 14.825 ( 0.350 -1.766 0.300) 1.825 15.193 ( 1.519 -0.430 -5.522) 5.743 15.562 ( -2.337 4.800 1.724) 5.610 15.608 ( -5.723 3.966 -0.937) 7.026 15.616 ( 1.525 2.603 -2.015) 3.628 15.794 ( -1.730 4.498 2.342) 5.358 16.544 ( 0.167 1.339 1.886) 2.319 16.739 ( 0.154 -1.450 3.714) 3.990 16.769 ( 2.402 -0.281 -4.360) 4.986 16.987 ( -2.496 1.517 0.351) 2.942 17.027 ( 0.096 -2.229 -0.010) 2.231 17.122 ( -2.405 -1.400 -4.118) 4.970 17.176 ( 1.895 -1.817 0.887) 2.771 17.235 ( -0.749 -1.112 0.116) 1.345 19.780 ( 1.014 2.690 2.839) 4.040 19.991 ( 2.682 3.132 -4.106) 5.819 21.237 ( -1.632 -1.772 2.755) 3.660 21.383 ( -1.905 -1.700 -2.854) 3.830 22.979 ( -3.454 -3.593 5.673) 7.552 23.268 ( 1.346 -2.667 -6.078) 6.773 27.905 ( -0.296 -1.702 1.474) 2.271 28.012 ( -0.932 3.200 -0.272) 3.345 29.563 ( -0.227 2.257 -0.400) 2.303 29.739 ( 1.529 -0.511 -1.689) 2.335 29.836 ( 1.876 1.286 2.816) 3.620 30.031 ( -1.311 2.065 -0.438) 2.485 31.021 ( 0.541 -0.356 0.477) 0.804 31.122 ( 1.015 1.788 0.681) 2.165 31.533 ( -0.547 -5.402 0.041) 5.429 31.626 ( 2.715 5.201 0.720) 5.911 31.763 ( -3.065 -6.801 1.722) 7.656 31.920 ( -1.256 0.267 0.653) 1.441 32.017 ( -0.246 -3.088 -1.285) 3.354 32.280 ( 5.592 -0.951 -0.396) 5.686 32.529 ( 2.291 0.192 -3.287) 4.011 32.559 ( 1.008 1.377 -1.000) 1.978 32.731 ( -0.068 4.402 1.375) 4.612 33.139 ( -1.827 0.739 -6.072) 6.384 34.544 ( -2.267 -0.618 6.724) 7.123 34.686 ( -1.484 -0.581 5.644) 5.865 34.912 ( -0.891 -9.953 2.153) 10.222 35.382 ( -13.403 2.736 -7.293) 15.502 35.764 ( 4.558 8.086 1.964) 9.488 36.076 ( 8.131 2.896 -4.765) 9.859 36.289 ( 9.348 3.678 2.311) 10.308 37.214 ( -8.614 0.693 -0.447) 8.653 ======================= Grid point 98 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -10.145 13.776 6.348) 18.248 1.905 ( -4.941 13.438 7.154) 16.006 2.019 ( -6.559 8.107 6.823) 12.462 2.251 ( 4.097 0.845 -0.981) 4.297 2.306 ( 3.790 9.525 -2.780) 10.622 2.499 ( 4.246 -9.182 -3.142) 10.594 2.878 ( 4.146 -8.037 9.580) 13.174 3.039 ( -3.417 9.065 7.424) 12.205 3.117 ( -1.522 9.314 -1.519) 9.559 3.185 ( -2.313 7.123 -2.038) 7.762 3.223 ( 0.432 -3.805 4.056) 5.578 3.571 ( 1.299 -2.966 -4.167) 5.277 3.728 ( 0.217 3.544 -2.277) 4.218 3.794 ( -0.604 -1.402 0.904) 1.774 3.874 ( 1.372 0.458 -10.904) 11.000 3.997 ( -9.911 2.041 1.935) 10.302 4.161 ( -3.436 -3.964 -2.909) 5.998 4.299 ( 3.113 -2.293 -3.266) 5.061 4.435 ( -3.351 6.383 0.412) 7.221 4.514 ( -3.638 1.480 -2.484) 4.647 4.571 ( -2.137 -0.227 3.092) 3.766 4.684 ( -3.862 5.103 4.693) 7.935 4.740 ( 0.137 0.266 2.443) 2.461 4.838 ( 1.674 4.705 -3.796) 6.273 4.973 ( 0.301 -5.445 -2.715) 6.092 5.050 ( 2.130 -1.596 2.891) 3.930 5.144 ( 6.965 7.200 -2.993) 10.455 5.441 ( -2.277 -3.446 -1.989) 4.585 5.455 ( 4.698 2.636 -1.048) 5.488 5.757 ( 16.395 -5.885 -1.007) 17.448 5.853 ( -1.713 0.350 1.110) 2.071 6.009 ( 0.612 -5.195 -3.911) 6.532 6.171 ( 2.256 -5.708 -1.815) 6.400 6.487 ( -7.780 -5.256 -1.523) 9.512 7.281 ( 0.260 -0.108 -1.574) 1.600 7.461 ( -0.439 1.597 0.972) 1.920 7.584 ( 0.028 0.407 -1.195) 1.263 7.732 ( 0.096 0.891 -2.907) 3.042 7.816 ( 5.034 -4.134 1.989) 6.811 8.066 ( 0.540 -7.895 0.524) 7.931 8.457 ( -0.592 6.874 7.569) 10.242 8.572 ( -4.412 -5.943 5.639) 9.305 8.682 ( 1.709 -3.267 2.524) 4.469 8.854 ( 1.101 1.831 -1.979) 2.912 8.896 ( -8.090 -0.013 -0.472) 8.103 8.972 ( -3.165 2.736 -0.003) 4.184 9.249 ( 1.459 -5.554 1.410) 5.913 9.484 ( 4.130 -4.389 -1.112) 6.128 9.904 ( 3.707 -4.598 -0.212) 5.910 10.082 ( -1.359 -2.974 -0.839) 3.376 10.221 ( 4.749 -3.171 1.932) 6.029 10.544 ( -0.701 0.838 -2.239) 2.491 10.877 ( -3.194 -0.543 2.775) 4.265 10.958 ( 3.581 3.644 -1.601) 5.354 11.294 ( 0.925 6.316 -2.445) 6.835 11.487 ( -8.284 4.042 1.982) 9.428 11.987 ( 2.199 -3.318 -0.479) 4.010 12.095 ( 1.117 -2.232 0.095) 2.498 12.718 ( 6.426 -1.561 -2.805) 7.183 12.843 ( -1.259 -3.387 1.070) 3.769 13.089 ( -6.501 -2.059 0.262) 6.824 13.243 ( -2.041 -3.566 -3.307) 5.275 13.631 ( 0.512 1.499 -0.094) 1.587 13.756 ( 0.151 2.447 2.743) 3.678 13.777 ( 1.332 -1.350 6.935) 7.190 14.082 ( 1.732 1.862 3.438) 4.277 14.571 ( 6.632 6.485 -0.232) 9.279 14.709 ( 11.080 4.891 1.248) 12.176 14.880 ( 2.105 -2.876 -0.041) 3.564 15.153 ( -3.407 3.463 -4.735) 6.784 15.393 ( -13.132 6.741 0.116) 14.762 15.457 ( -9.287 4.131 -0.812) 10.196 15.557 ( 0.084 4.532 -2.781) 5.318 15.674 ( -5.423 5.855 2.462) 8.352 16.523 ( 0.981 2.163 3.383) 4.134 16.740 ( 0.654 0.931 0.912) 1.458 16.827 ( 3.354 -1.907 -1.768) 4.244 16.941 ( -2.035 1.146 0.898) 2.502 17.031 ( -2.459 -0.260 -2.175) 3.293 17.113 ( -0.505 -0.299 -4.615) 4.652 17.229 ( 1.105 -2.459 1.344) 3.013 17.243 ( -0.516 -0.350 1.107) 1.271 19.740 ( -0.473 2.984 2.216) 3.747 19.932 ( -0.073 3.627 -4.083) 5.462 21.302 ( 0.567 -4.965 2.606) 5.636 21.416 ( 0.591 -3.735 -2.782) 4.695 23.028 ( -1.466 -3.144 5.253) 6.295 23.302 ( 2.697 -1.180 -5.975) 6.661 27.918 ( -2.202 -0.403 3.299) 3.987 27.994 ( 0.957 -1.331 -1.678) 2.346 29.522 ( 0.144 3.384 2.138) 4.005 29.735 ( 0.328 1.479 -1.403) 2.065 29.830 ( 0.414 1.203 1.387) 1.883 29.989 ( -2.768 -0.107 -1.488) 3.144 31.022 ( -0.422 0.502 1.088) 1.271 31.093 ( 0.535 2.701 0.172) 2.759 31.577 ( 3.736 4.286 2.117) 6.067 31.594 ( 0.554 -0.689 1.523) 1.761 31.843 ( -2.867 -6.291 -1.937) 7.180 31.922 ( -1.337 -2.320 0.236) 2.688 32.089 ( 4.158 -2.850 0.587) 5.075 32.339 ( 4.024 0.356 0.087) 4.041 32.521 ( -0.220 2.887 -1.781) 3.399 32.525 ( -0.043 0.663 -4.578) 4.626 32.655 ( 3.709 5.534 0.274) 6.668 33.060 ( -7.625 1.511 -7.287) 10.655 34.504 ( -1.743 4.140 6.362) 7.788 34.758 ( 0.060 -5.384 11.675) 12.857 35.005 ( 0.228 3.189 -2.199) 3.880 35.252 ( -10.409 -7.063 -3.893) 13.168 35.728 ( 4.210 2.589 1.490) 5.162 36.035 ( -2.581 2.992 -2.263) 4.554 36.429 ( 19.685 -3.188 -0.701) 19.954 37.152 ( -12.308 -5.356 -0.426) 13.430 ======================= Grid point 99 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -10.991 17.407 9.166) 22.535 1.610 ( -4.786 20.311 15.302) 25.877 1.794 ( -11.059 7.705 2.228) 13.661 2.108 ( -0.966 15.058 -2.994) 15.383 2.278 ( 3.092 4.877 2.518) 6.300 2.630 ( 1.949 3.645 -4.481) 6.096 2.742 ( 2.492 8.329 2.996) 9.196 2.914 ( -5.718 6.581 4.717) 9.912 3.111 ( -0.397 -2.796 5.791) 6.443 3.186 ( 2.587 -6.587 1.247) 7.186 3.292 ( 3.883 -0.656 3.324) 5.154 3.588 ( -2.939 3.764 -3.069) 5.676 3.607 ( -1.758 -0.295 -5.042) 5.348 3.791 ( 5.291 5.116 -7.574) 10.561 3.833 ( -3.584 -0.181 1.170) 3.774 3.971 ( 0.950 -0.292 -3.553) 3.689 4.138 ( -4.009 0.756 -2.236) 4.652 4.276 ( -5.800 3.127 2.547) 7.064 4.379 ( 2.926 2.220 -3.781) 5.272 4.414 ( -0.338 5.089 -5.280) 7.341 4.513 ( -1.725 3.521 3.682) 5.378 4.658 ( -4.219 -3.239 2.451) 5.857 4.711 ( 2.366 5.167 2.873) 6.368 4.793 ( 1.419 -0.261 -2.401) 2.801 5.019 ( 0.271 1.900 -2.555) 3.196 5.069 ( -0.018 6.511 1.183) 6.617 5.126 ( 0.363 -6.602 -0.301) 6.619 5.355 ( 0.275 5.688 -3.701) 6.792 5.480 ( 3.012 -0.451 -1.589) 3.436 5.888 ( 4.442 -1.875 2.088) 5.254 5.995 ( 7.456 -6.234 -1.908) 9.905 6.083 ( 2.396 -3.680 -8.745) 9.786 6.318 ( 4.221 -6.896 -1.009) 8.148 6.502 ( -5.584 -5.572 -2.942) 8.419 7.280 ( 0.378 -0.200 -0.911) 1.007 7.456 ( -0.307 -0.481 5.813) 5.841 7.549 ( -0.495 1.660 -7.155) 7.362 7.706 ( -1.110 -0.196 -2.229) 2.498 7.954 ( 5.266 -3.789 3.917) 7.578 8.235 ( -0.453 -10.718 -0.723) 10.752 8.422 ( 0.291 -0.473 12.686) 12.698 8.627 ( -4.042 -1.800 9.710) 10.671 8.723 ( 4.502 0.879 1.465) 4.815 8.826 ( -1.615 0.393 0.548) 1.750 8.905 ( -3.383 -4.097 -1.976) 5.669 8.927 ( -3.061 -4.146 -1.342) 5.326 9.366 ( 0.926 -6.347 2.392) 6.845 9.604 ( 2.448 -6.251 -3.733) 7.682 10.018 ( 6.547 -2.782 -0.134) 7.114 10.125 ( -2.486 -4.343 -0.432) 5.023 10.308 ( 1.926 -1.216 3.456) 4.139 10.505 ( -0.770 1.402 -3.429) 3.784 10.866 ( -2.697 -0.332 2.323) 3.575 10.933 ( 5.949 3.148 -3.602) 7.634 11.180 ( 1.455 7.496 -0.671) 7.666 11.328 ( -10.663 4.512 1.652) 11.696 12.087 ( 3.333 -5.128 0.488) 6.135 12.165 ( 1.185 -4.587 -0.314) 4.748 12.809 ( 5.895 -2.778 -2.106) 6.849 12.887 ( -3.634 -4.579 -1.389) 6.008 13.084 ( -4.034 -3.687 3.860) 6.691 13.289 ( -1.511 -4.494 -1.405) 4.945 13.614 ( 0.979 1.601 1.488) 2.394 13.717 ( 0.527 2.756 -0.219) 2.814 13.831 ( -0.676 -1.190 8.335) 8.447 14.081 ( 2.683 1.742 0.977) 3.345 14.520 ( 7.626 7.803 0.298) 10.915 14.729 ( 10.530 5.697 0.538) 11.984 14.933 ( -1.357 -0.814 1.751) 2.360 14.966 ( -12.319 7.789 0.600) 14.588 15.117 ( -16.055 6.631 -2.609) 17.566 15.330 ( -4.528 2.020 -5.144) 7.145 15.474 ( 0.445 4.783 -0.732) 4.859 15.530 ( -5.619 4.949 1.323) 7.604 16.525 ( 1.535 0.012 3.970) 4.256 16.736 ( 1.637 1.094 -0.266) 1.986 16.841 ( -0.073 1.802 -0.352) 1.838 16.944 ( 2.053 -1.160 1.082) 2.594 16.989 ( -3.145 0.858 -4.602) 5.640 17.090 ( -0.857 1.019 -2.411) 2.754 17.246 ( -1.742 -0.802 3.353) 3.862 17.280 ( 1.449 -1.752 0.175) 2.280 19.695 ( -0.558 2.319 1.394) 2.763 19.859 ( -0.273 3.004 -4.249) 5.211 21.403 ( 0.038 -5.295 2.181) 5.727 21.490 ( 1.726 -4.311 -2.386) 5.221 23.085 ( -0.160 -2.909 3.882) 4.854 23.321 ( 2.955 0.248 -5.749) 6.469 27.915 ( -5.018 -1.980 6.265) 8.267 28.044 ( 2.584 -3.192 -2.809) 4.976 29.463 ( 0.687 4.786 4.811) 6.821 29.686 ( -2.090 2.972 -0.118) 3.636 29.833 ( 1.174 -0.533 0.197) 1.304 29.979 ( -1.834 -2.143 -2.909) 4.052 30.992 ( -1.993 2.624 2.184) 3.953 31.059 ( 1.393 1.567 -1.652) 2.670 31.532 ( 4.436 6.640 2.362) 8.328 31.616 ( -0.618 -1.487 4.136) 4.438 31.908 ( -2.270 -5.041 -3.743) 6.676 31.952 ( -1.563 -2.378 -3.183) 4.269 32.182 ( 6.139 -1.790 1.743) 6.628 32.334 ( -0.650 1.638 0.871) 1.966 32.448 ( -5.194 2.576 -0.990) 5.882 32.463 ( -1.183 3.766 -1.877) 4.371 32.658 ( 16.953 6.087 -6.458) 19.135 32.891 ( -13.195 3.744 -11.645) 17.992 34.440 ( -0.572 4.024 5.588) 6.910 34.831 ( 2.572 10.095 -5.150) 11.621 34.954 ( -3.338 -10.787 18.225) 21.439 35.333 ( -6.140 -8.956 1.062) 10.910 35.750 ( 3.769 0.336 2.600) 4.591 35.950 ( -5.324 1.522 -0.340) 5.548 36.730 ( 23.345 -7.241 -1.388) 24.481 37.170 ( -15.335 -13.732 -0.943) 20.606 ======================= Grid point 100 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 3.494 15.012 17.068) 22.997 1.247 ( -1.950 24.327 17.657) 30.123 1.599 ( -5.635 7.656 8.358) 12.658 1.787 ( -9.189 15.373 0.814) 17.928 2.066 ( -0.005 17.752 -4.609) 18.340 2.596 ( 7.370 -0.278 0.502) 7.393 2.687 ( -2.025 4.060 3.383) 5.660 2.877 ( -0.106 -2.963 1.766) 3.451 3.184 ( -1.540 2.389 4.514) 5.335 3.233 ( 0.754 -3.109 2.310) 3.946 3.366 ( 2.510 -1.385 4.040) 4.953 3.492 ( -1.548 2.524 -4.103) 5.060 3.586 ( 0.987 1.047 -7.709) 7.842 3.743 ( 6.834 4.493 -9.432) 12.484 3.784 ( -1.821 2.704 1.461) 3.573 3.951 ( 1.217 2.980 -1.160) 3.422 4.105 ( -0.695 -1.164 -2.678) 3.001 4.176 ( -3.943 3.650 -1.611) 5.609 4.297 ( 5.172 6.255 0.723) 8.148 4.374 ( -1.123 0.559 -2.201) 2.533 4.493 ( -0.261 -0.132 0.100) 0.309 4.601 ( -5.264 2.401 2.236) 6.203 4.700 ( 2.016 1.214 -2.959) 3.781 4.808 ( 0.268 1.300 -4.688) 4.872 4.915 ( -4.156 5.708 0.386) 7.072 4.975 ( -0.973 1.588 2.281) 2.945 5.216 ( 3.291 0.731 -4.650) 5.744 5.319 ( 0.678 -1.669 5.722) 5.999 5.523 ( 5.679 -0.446 -1.391) 5.864 5.936 ( -0.313 -0.076 -10.629) 10.634 6.060 ( 0.093 -0.689 -5.980) 6.021 6.161 ( 3.948 -3.543 -2.621) 5.917 6.390 ( -4.683 -1.837 0.721) 5.081 6.564 ( 1.920 -3.727 -3.680) 5.578 7.308 ( -0.466 -3.212 0.606) 3.302 7.473 ( 1.361 1.956 1.862) 3.024 7.514 ( -2.081 -2.545 -1.088) 3.462 7.714 ( 0.070 -1.975 -3.155) 3.723 8.051 ( 1.359 -2.811 6.550) 7.256 8.347 ( -4.900 -6.673 -5.146) 9.748 8.551 ( -3.215 -6.758 16.155) 17.804 8.657 ( 1.341 -0.508 7.885) 8.014 8.743 ( 0.298 -1.011 4.948) 5.059 8.846 ( 0.649 -4.295 4.357) 6.152 8.949 ( -0.489 -5.909 0.924) 6.000 9.013 ( 2.329 -4.179 -4.012) 6.243 9.493 ( -0.284 -7.711 1.901) 7.947 9.697 ( -0.533 -5.244 -5.998) 7.985 10.099 ( 4.647 -0.092 -0.574) 4.684 10.172 ( -1.531 -3.421 -0.448) 3.775 10.293 ( -5.107 1.762 4.555) 7.066 10.483 ( 2.047 1.308 -4.354) 4.986 10.834 ( -3.981 0.561 1.452) 4.274 10.962 ( 9.970 1.166 -5.060) 11.241 11.096 ( 5.878 6.368 2.535) 9.029 11.159 ( -9.998 4.005 0.762) 10.798 12.202 ( 0.750 -5.295 1.610) 5.585 12.251 ( -0.856 -5.157 -0.429) 5.246 12.880 ( -4.104 -4.669 -0.050) 6.216 12.951 ( 4.132 -4.206 -3.871) 7.053 13.162 ( -0.138 -5.214 6.822) 8.587 13.350 ( -1.429 -4.775 0.989) 5.081 13.594 ( 0.472 2.156 1.080) 2.457 13.680 ( -1.681 1.141 -1.170) 2.345 13.823 ( -7.510 1.201 8.966) 11.757 14.072 ( 3.071 2.514 -1.187) 4.143 14.448 ( 3.321 7.746 1.757) 8.609 14.600 ( -14.592 8.859 -5.390) 17.901 14.797 ( 8.994 6.173 2.574) 11.208 14.877 ( 7.367 3.922 3.580) 9.082 15.002 ( -3.584 -0.134 -0.473) 3.618 15.283 ( 2.160 0.015 -6.056) 6.430 15.356 ( -8.145 3.916 3.008) 9.524 15.474 ( 5.187 2.637 -1.046) 5.912 16.574 ( 1.047 -2.729 2.880) 4.103 16.729 ( 1.673 1.448 -1.482) 2.663 16.799 ( -0.370 2.137 0.814) 2.317 16.918 ( -3.655 2.116 -4.932) 6.493 16.995 ( 3.064 -1.041 1.448) 3.545 17.055 ( -0.443 1.420 -0.795) 1.687 17.260 ( -4.590 -2.675 5.805) 7.869 17.312 ( 0.707 -0.716 0.377) 1.074 19.664 ( -0.077 1.302 0.862) 1.563 19.810 ( 1.457 2.049 -4.545) 5.194 21.479 ( -1.403 -3.893 1.606) 4.439 21.566 ( 1.412 -3.380 -1.838) 4.098 23.131 ( -1.467 -1.884 1.616) 2.884 23.311 ( 1.575 1.698 -5.210) 5.701 27.919 ( -10.357 -3.992 8.996) 14.288 28.135 ( 5.157 -4.321 -1.986) 7.015 29.438 ( 3.969 1.912 8.020) 9.150 29.609 ( -2.946 2.684 0.439) 4.010 29.863 ( 1.474 -1.299 0.413) 2.008 30.008 ( 0.002 -3.302 -3.645) 4.918 30.921 ( -2.457 3.575 2.543) 5.028 31.059 ( 2.183 -0.302 -3.311) 3.977 31.451 ( 3.298 8.267 2.432) 9.227 31.647 ( -2.715 -0.580 2.761) 3.916 31.888 ( -5.318 2.255 -7.900) 9.786 31.966 ( -2.210 -3.700 -5.379) 6.892 32.261 ( 2.347 -1.033 2.027) 3.269 32.306 ( -0.070 0.924 0.817) 1.236 32.348 ( -1.710 4.159 -0.675) 4.548 32.389 ( -0.202 3.870 -2.519) 4.622 32.608 ( -10.788 7.807 -3.622) 13.801 32.717 ( 21.940 8.518 -17.785) 29.500 34.396 ( -0.071 2.555 4.317) 5.017 34.649 ( -0.473 9.431 -5.492) 10.924 35.225 ( -7.432 -16.899 21.922) 28.660 35.419 ( 0.705 -5.034 1.628) 5.337 35.793 ( 0.418 -1.531 5.260) 5.494 35.904 ( 0.621 0.782 0.202) 1.019 37.041 ( 7.189 -11.914 9.208) 16.686 37.369 ( -2.438 -21.210 -4.121) 21.744 ======================= Grid point 103 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 4.979 -0.000 19.539) 20.163 1.347 ( -6.817 0.000 23.920) 24.873 1.833 ( 10.930 -0.000 -5.486) 12.229 1.836 ( 20.705 -0.000 -1.880) 20.790 2.289 ( 27.878 -0.000 18.371) 33.387 2.772 ( -3.801 0.000 -4.499) 5.890 2.829 ( 3.294 -0.000 -1.827) 3.767 3.069 ( 9.062 -0.000 -2.521) 9.407 3.071 ( -3.337 0.000 8.906) 9.511 3.289 ( 8.500 -0.000 -8.806) 12.239 3.418 ( -0.911 0.000 -17.147) 17.171 3.455 ( 0.654 -0.000 1.243) 1.404 3.612 ( -0.812 0.000 10.833) 10.864 3.703 ( 1.201 -0.000 5.841) 5.963 3.758 ( -2.622 0.000 -6.287) 6.811 3.846 ( -0.715 0.000 -11.559) 11.581 3.971 ( 6.073 -0.000 -1.677) 6.300 4.235 ( 5.308 -0.000 1.349) 5.477 4.293 ( 3.577 -0.000 1.975) 4.085 4.369 ( -13.085 0.000 3.214) 13.474 4.447 ( 9.778 -0.000 -7.998) 12.632 4.595 ( 3.512 -0.000 3.460) 4.931 4.632 ( 5.407 -0.000 -9.832) 11.221 4.842 ( 2.834 -0.000 -5.536) 6.219 4.902 ( -2.919 0.000 7.783) 8.313 5.092 ( 6.353 -0.000 -3.821) 7.414 5.146 ( 7.452 -0.000 -1.875) 7.684 5.379 ( -1.932 0.000 -0.969) 2.161 5.603 ( 3.416 -0.000 0.992) 3.557 5.747 ( -1.731 0.000 -1.117) 2.060 5.895 ( -8.152 0.000 -2.172) 8.436 5.929 ( -7.708 0.000 0.065) 7.709 6.156 ( -11.704 0.000 4.748) 12.630 6.315 ( -13.830 0.000 -2.522) 14.058 7.096 ( -7.936 0.000 -0.597) 7.959 7.539 ( -3.190 0.000 4.325) 5.374 7.607 ( -0.200 0.000 2.053) 2.063 7.832 ( 6.346 -0.000 -1.355) 6.489 8.111 ( -13.736 0.000 13.054) 18.949 8.115 ( -5.150 0.000 8.253) 9.728 8.406 ( -4.492 0.000 -6.172) 7.634 8.415 ( -7.901 0.000 4.340) 9.014 8.858 ( 0.484 -0.000 -0.877) 1.002 8.898 ( 2.535 -0.000 -0.915) 2.695 9.186 ( 1.507 -0.000 -1.592) 2.192 9.207 ( 4.774 -0.000 -2.586) 5.430 9.482 ( -8.441 0.000 2.966) 8.947 9.634 ( -5.330 0.000 -3.844) 6.571 9.905 ( -8.447 0.000 -3.468) 9.131 10.107 ( -6.516 0.000 4.306) 7.810 10.151 ( -0.782 0.000 2.304) 2.433 10.522 ( 6.310 -0.000 -3.192) 7.071 10.831 ( -0.036 0.000 -0.044) 0.056 10.906 ( -0.461 0.000 2.275) 2.321 11.311 ( 10.351 -0.000 -4.564) 11.312 11.426 ( 11.290 -0.000 4.417) 12.123 12.100 ( -7.652 0.000 -1.493) 7.797 12.153 ( -6.688 0.000 0.286) 6.694 12.898 ( -1.616 0.000 -1.515) 2.215 12.943 ( 4.508 -0.000 -6.377) 7.809 13.176 ( -8.214 0.000 4.974) 9.603 13.197 ( -9.285 0.000 -0.535) 9.300 13.549 ( 2.053 -0.000 -2.154) 2.976 13.633 ( -0.019 0.000 0.507) 0.507 13.891 ( 2.681 -0.000 3.593) 4.483 14.358 ( -3.143 0.000 3.940) 5.040 14.611 ( 15.717 -0.000 -2.640) 15.937 14.651 ( 15.893 -0.000 0.537) 15.902 14.827 ( -2.986 0.000 0.181) 2.992 15.047 ( -0.436 0.000 0.500) 0.664 15.322 ( 21.520 -0.000 6.307) 22.425 15.603 ( 10.978 -0.000 -0.048) 10.979 15.753 ( 8.496 -0.000 2.826) 8.953 16.047 ( 15.040 -0.000 -17.537) 23.103 16.498 ( 0.068 -0.000 -6.080) 6.081 16.546 ( -8.088 0.000 0.788) 8.126 16.789 ( 2.347 -0.000 1.903) 3.022 16.856 ( -1.261 0.000 0.744) 1.464 17.027 ( -1.090 0.000 1.039) 1.505 17.057 ( 1.145 -0.000 0.787) 1.389 17.127 ( -1.973 0.000 -0.629) 2.071 17.230 ( -6.349 0.000 4.841) 7.984 19.800 ( 7.597 -0.000 0.692) 7.629 19.997 ( 11.192 -0.000 1.131) 11.249 21.459 ( -6.317 0.000 1.618) 6.521 21.509 ( -6.617 0.000 -1.904) 6.885 22.861 ( -9.764 0.000 4.230) 10.641 23.071 ( -4.127 0.000 -7.317) 8.400 27.822 ( -0.024 0.000 2.856) 2.856 28.403 ( -6.368 0.000 8.232) 10.407 29.583 ( 11.645 -0.000 -4.788) 12.591 29.876 ( -0.627 0.000 2.054) 2.148 29.952 ( -4.040 0.000 -3.356) 5.252 29.980 ( 1.375 -0.000 3.008) 3.307 30.912 ( 5.809 -0.000 -1.338) 5.961 31.064 ( -0.252 0.000 1.962) 1.978 31.187 ( 0.836 -0.000 -2.072) 2.235 31.273 ( 0.812 -0.000 -0.312) 0.870 31.862 ( -5.504 0.000 2.363) 5.990 32.027 ( 1.979 -0.000 2.140) 2.915 32.108 ( -5.740 0.000 -3.041) 6.496 32.133 ( 2.977 -0.000 -2.109) 3.648 32.438 ( 4.366 -0.000 -2.120) 4.853 32.440 ( 6.632 -0.000 0.777) 6.677 32.680 ( 10.883 -0.000 4.063) 11.617 33.182 ( 10.714 -0.000 -16.748) 19.882 34.353 ( -1.933 0.000 -1.532) 2.467 34.373 ( -0.601 0.000 1.012) 1.177 35.056 ( -14.466 0.000 13.409) 19.725 35.520 ( -11.012 0.000 -0.824) 11.043 36.015 ( 11.342 -0.000 3.356) 11.828 36.022 ( 8.581 -0.000 -1.891) 8.787 37.403 ( -16.006 0.000 9.263) 18.493 37.481 ( -8.237 0.000 -10.094) 13.028 ======================= Grid point 104 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 3.833 -12.812 15.553) 20.512 1.445 ( -4.152 -12.489 13.912) 19.151 1.975 ( 9.309 -5.784 -0.454) 10.969 2.011 ( 14.142 -0.742 0.683) 14.178 2.502 ( 17.944 7.480 10.384) 22.040 2.617 ( -1.966 7.855 -2.086) 8.361 2.880 ( 1.506 0.050 0.213) 1.522 3.000 ( -0.679 3.256 -0.467) 3.358 3.181 ( 5.326 -2.524 2.172) 6.281 3.338 ( 7.119 2.027 -0.482) 7.417 3.365 ( -2.920 0.074 -12.383) 12.723 3.532 ( -0.079 -4.147 -3.805) 5.629 3.661 ( 1.018 -4.906 5.239) 7.249 3.744 ( -0.399 -3.703 6.623) 7.598 3.752 ( -0.725 -4.134 -5.850) 7.200 3.823 ( 0.136 -0.080 -6.373) 6.375 4.046 ( 2.836 -3.333 -0.903) 4.469 4.239 ( -5.682 1.591 0.896) 5.968 4.320 ( 9.179 -1.604 -1.332) 9.413 4.379 ( 3.006 -2.651 3.530) 5.341 4.447 ( 2.875 2.968 -7.930) 8.942 4.662 ( 2.699 -3.365 -3.900) 5.815 4.706 ( 9.530 -2.747 -1.317) 10.005 4.855 ( 3.954 0.155 -0.172) 3.961 4.924 ( -1.849 -0.899 -0.865) 2.230 5.070 ( 3.746 6.670 1.251) 7.751 5.139 ( 1.597 1.569 3.162) 3.874 5.468 ( 1.133 -3.581 -3.141) 4.897 5.624 ( 2.316 2.607 -0.135) 3.490 5.662 ( -7.360 2.818 -0.180) 7.883 5.820 ( -0.925 -1.087 -3.006) 3.328 5.927 ( -5.512 -4.134 -0.493) 6.907 5.984 ( -11.030 3.270 1.674) 11.626 6.283 ( -12.823 -8.800 -1.092) 15.591 7.051 ( -6.240 -2.784 2.388) 7.238 7.484 ( -2.101 3.798 3.350) 5.483 7.590 ( -1.380 1.727 1.314) 2.572 7.834 ( 1.676 3.713 -2.052) 4.561 8.080 ( -5.661 0.456 7.488) 9.398 8.100 ( -8.342 -6.517 9.578) 14.276 8.302 ( -2.077 4.629 -2.434) 5.627 8.392 ( -5.889 -2.134 0.879) 6.325 8.862 ( 0.050 -0.190 -2.937) 2.944 8.920 ( 4.447 1.180 -0.633) 4.644 9.164 ( 0.845 3.262 -2.279) 4.068 9.236 ( 5.696 0.748 -5.558) 7.993 9.379 ( -8.345 3.556 4.028) 9.926 9.552 ( -5.546 2.206 -2.726) 6.562 9.800 ( -8.063 1.688 -2.487) 8.605 10.066 ( -5.511 -0.678 4.338) 7.046 10.141 ( -3.005 0.107 1.943) 3.580 10.572 ( 5.345 0.116 -3.098) 6.179 10.842 ( 0.716 -0.737 0.056) 1.029 10.922 ( 0.415 -0.988 3.356) 3.523 11.400 ( 10.093 -0.403 -4.399) 11.018 11.552 ( 9.630 -1.249 3.832) 10.439 12.014 ( -6.346 1.609 -1.427) 6.701 12.090 ( -4.991 0.433 0.344) 5.022 12.825 ( 2.034 5.504 -2.865) 6.530 12.949 ( -1.843 2.844 -1.730) 3.805 13.110 ( -5.766 -1.374 -1.920) 6.230 13.150 ( -7.807 -3.224 1.392) 8.560 13.568 ( 3.466 -0.091 -2.848) 4.487 13.644 ( -1.066 -1.860 1.663) 2.714 13.919 ( 1.752 1.094 5.574) 5.944 14.280 ( -2.503 5.221 3.121) 6.577 14.736 ( 13.912 2.193 -2.545) 14.312 14.756 ( 10.017 2.369 -2.152) 10.516 14.816 ( 0.211 -0.599 0.958) 1.149 15.076 ( 3.140 -1.730 -0.260) 3.595 15.556 ( 15.907 -2.648 6.909) 17.543 15.683 ( 10.646 2.460 -0.412) 10.934 15.835 ( 6.726 0.253 2.496) 7.178 15.982 ( 4.896 10.478 -6.059) 13.057 16.450 ( -3.601 -0.621 0.187) 3.659 16.604 ( 0.557 -6.621 -8.376) 10.691 16.811 ( 1.014 0.686 3.222) 3.447 16.854 ( -1.421 -1.925 0.834) 2.534 17.023 ( -0.950 -0.336 1.091) 1.486 17.089 ( 3.770 -0.725 -1.617) 4.166 17.125 ( -1.550 -1.615 0.436) 2.281 17.172 ( -6.773 0.492 2.233) 7.148 19.861 ( 8.563 2.304 1.433) 8.983 20.089 ( 10.660 2.133 -0.127) 10.872 21.370 ( -8.001 2.708 2.478) 8.803 21.432 ( -7.666 0.189 -2.500) 8.066 22.811 ( -8.207 -2.789 4.804) 9.910 23.056 ( -3.017 -4.625 -7.360) 9.201 27.835 ( 0.090 -0.543 2.427) 2.489 28.314 ( -6.988 4.360 4.233) 9.261 29.664 ( 9.652 1.332 -5.013) 10.958 29.775 ( -1.124 7.118 1.052) 7.283 29.926 ( 0.401 0.610 1.122) 1.338 30.041 ( 0.328 -2.938 1.824) 3.474 30.964 ( 5.986 0.178 -0.548) 6.014 31.135 ( 0.957 -4.178 -1.380) 4.503 31.175 ( 0.154 -2.550 -1.047) 2.761 31.348 ( -2.271 -6.825 1.806) 7.416 31.834 ( -4.531 -1.817 2.328) 5.409 31.969 ( -0.722 5.879 -0.971) 6.003 32.050 ( -3.101 0.928 -0.620) 3.296 32.183 ( 2.022 -1.856 -1.223) 3.005 32.477 ( 4.769 -0.675 -2.851) 5.597 32.522 ( 7.518 -0.700 1.021) 7.619 32.793 ( 7.731 -0.184 5.568) 9.529 33.205 ( 5.091 0.783 -13.413) 14.368 34.364 ( -0.754 -3.144 0.340) 3.251 34.399 ( -0.417 -3.603 -0.998) 3.762 34.942 ( -11.708 2.590 12.345) 17.210 35.437 ( -11.519 -3.006 -3.464) 12.398 36.092 ( 8.435 1.817 -0.511) 8.644 36.118 ( 11.992 2.109 3.767) 12.745 37.029 ( -6.269 21.355 -0.233) 22.257 37.460 ( -10.545 -1.733 -3.022) 11.105 ======================= Grid point 105 (45/95) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 2.795 -13.228 10.180) 16.924 1.749 ( -1.103 -19.838 8.128) 21.466 2.114 ( 7.147 0.606 4.259) 8.341 2.168 ( 3.708 -8.747 -2.495) 9.822 2.383 ( 3.285 12.394 1.328) 12.891 2.603 ( 9.056 3.357 -0.800) 9.691 2.857 ( 3.905 6.016 4.587) 8.514 2.977 ( -0.745 -0.389 0.369) 0.918 3.213 ( -2.346 4.275 1.495) 5.101 3.291 ( 5.024 1.225 -1.349) 5.344 3.400 ( 0.984 -3.066 -2.519) 4.088 3.487 ( -3.791 2.127 -5.628) 7.111 3.751 ( -6.194 0.680 5.867) 8.558 3.799 ( -1.771 -3.445 2.886) 4.830 3.849 ( 3.387 -6.435 -4.719) 8.669 3.867 ( 3.819 -6.784 -8.256) 11.347 4.108 ( -0.952 -2.509 3.451) 4.372 4.243 ( 1.948 -3.746 0.913) 4.320 4.364 ( -2.150 -0.486 -8.163) 8.455 4.471 ( 4.650 -4.517 -2.637) 6.999 4.495 ( 6.158 -4.211 4.592) 8.760 4.718 ( -0.985 -2.664 -2.563) 3.826 4.770 ( 2.420 4.024 3.262) 5.717 4.919 ( 4.432 2.560 -2.829) 5.848 4.951 ( 5.227 -4.079 0.306) 6.637 4.982 ( 2.925 2.122 -4.841) 6.041 5.124 ( 0.439 3.901 5.839) 7.036 5.460 ( -1.811 2.602 5.323) 6.196 5.517 ( -1.735 5.121 -5.985) 8.066 5.613 ( 3.947 2.072 -2.837) 5.284 5.815 ( -5.028 -2.866 0.100) 5.789 5.952 ( -3.387 -3.724 1.332) 5.207 5.960 ( -1.847 -4.189 -3.595) 5.821 6.300 ( -12.240 -7.265 -0.872) 14.260 7.096 ( -2.670 -6.730 3.655) 8.110 7.420 ( -0.845 3.210 2.591) 4.211 7.551 ( -0.845 0.388 -1.630) 1.877 7.759 ( -1.204 3.808 -2.410) 4.664 8.029 ( -4.456 2.372 7.451) 9.000 8.145 ( -1.449 2.459 -2.417) 3.740 8.242 ( -2.998 -3.541 7.347) 8.689 8.384 ( -6.346 -3.574 1.479) 7.432 8.845 ( 2.481 2.679 -3.541) 5.087 8.935 ( 3.492 1.456 -0.603) 3.831 9.088 ( -0.210 4.735 -0.489) 4.765 9.239 ( -0.080 2.310 -4.791) 5.319 9.247 ( -3.763 5.504 1.685) 6.877 9.457 ( -3.271 2.141 -2.365) 4.569 9.711 ( -6.294 -0.659 -1.329) 6.467 10.057 ( -1.548 -0.842 5.424) 5.703 10.103 ( -4.249 0.290 -0.426) 4.280 10.593 ( 2.432 0.909 -2.526) 3.622 10.849 ( -1.427 -0.389 1.368) 2.015 10.975 ( 3.413 -1.720 2.486) 4.559 11.474 ( 9.031 1.355 -4.102) 10.011 11.646 ( 5.030 0.353 2.704) 5.721 11.936 ( -3.770 1.042 -0.920) 4.018 12.052 ( -3.512 -0.572 0.348) 3.575 12.763 ( 5.596 4.966 -3.218) 8.144 12.845 ( -4.780 3.491 1.156) 6.031 13.069 ( -6.962 -1.106 -0.339) 7.058 13.157 ( -3.643 -3.405 -3.946) 6.359 13.600 ( 3.708 -0.526 -2.496) 4.500 13.679 ( -1.590 -2.676 1.846) 3.619 13.914 ( 0.389 3.085 8.332) 8.893 14.189 ( -1.917 3.924 3.153) 5.386 14.760 ( 4.287 2.090 -2.989) 5.628 14.810 ( 10.635 3.301 0.126) 11.136 14.838 ( 7.225 2.326 -1.746) 7.788 15.143 ( 4.770 -1.476 -1.741) 5.288 15.686 ( 4.504 1.872 5.511) 7.359 15.723 ( 8.649 3.482 -1.182) 9.398 15.812 ( 0.052 8.199 -2.663) 8.620 15.903 ( 5.426 2.361 2.748) 6.524 16.472 ( -1.350 -4.137 2.127) 4.843 16.668 ( 1.656 -3.152 -8.308) 9.039 16.802 ( -1.378 1.428 4.397) 4.824 16.900 ( -0.661 -4.233 0.613) 4.328 17.025 ( -0.173 0.105 0.350) 0.405 17.088 ( -6.294 0.502 1.956) 6.610 17.144 ( 4.139 -1.185 -3.940) 5.836 17.159 ( -1.248 -2.592 0.614) 2.942 19.890 ( 6.978 3.877 2.688) 8.423 20.121 ( 8.205 4.305 -2.492) 9.595 21.255 ( -7.756 2.349 2.950) 8.625 21.355 ( -6.355 -0.302 -2.934) 7.006 22.823 ( -6.431 -4.849 5.808) 9.930 23.110 ( -0.967 -6.235 -6.965) 9.398 27.856 ( 0.102 -1.054 2.292) 2.525 28.178 ( -4.696 5.485 0.585) 7.245 29.660 ( 0.012 4.152 -2.045) 4.628 29.710 ( 4.053 0.896 -1.233) 4.330 29.927 ( 4.139 2.713 1.831) 5.277 30.080 ( -0.372 -0.715 1.257) 1.493 31.012 ( 4.473 0.172 0.204) 4.481 31.159 ( 2.028 0.500 -0.377) 2.122 31.288 ( 0.005 -8.449 -2.321) 8.762 31.447 ( -5.293 -8.460 3.158) 10.467 31.856 ( -0.664 -1.582 2.554) 3.077 31.862 ( -1.587 3.391 -1.181) 3.926 31.996 ( -2.736 2.155 -0.367) 3.502 32.225 ( 2.328 -1.696 -1.618) 3.303 32.526 ( 4.484 -0.587 -2.643) 5.237 32.592 ( 5.958 0.719 0.862) 6.063 32.843 ( 2.850 2.085 4.377) 5.624 33.184 ( 1.578 1.294 -9.087) 9.314 34.427 ( -0.316 -4.065 2.037) 4.558 34.490 ( 0.450 -8.090 -2.467) 8.469 34.835 ( -8.608 2.620 11.284) 14.432 35.365 ( -11.531 -2.544 -5.137) 12.877 36.085 ( 3.758 7.033 3.742) 8.809 36.198 ( 13.108 3.099 -0.514) 13.479 36.669 ( 3.289 18.410 -1.986) 18.807 37.328 ( -10.903 3.608 -2.009) 11.659 ======================= Grid point 106 (46/95) ======================= q-point: ( 0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 3.871 -8.146 6.389) 11.052 2.005 ( -2.925 -9.211 2.858) 10.078 2.150 ( -0.924 -0.476 2.765) 2.954 2.263 ( 3.572 7.273 3.715) 8.914 2.338 ( 6.991 -7.949 -1.108) 10.643 2.605 ( 3.390 2.022 -1.292) 4.153 2.762 ( 2.936 15.107 7.618) 17.172 2.940 ( -4.046 -2.936 -0.157) 5.002 3.233 ( 1.224 -6.996 0.031) 7.102 3.306 ( 4.885 4.276 7.385) 9.833 3.390 ( -5.430 0.016 -8.859) 10.391 3.433 ( 1.555 2.611 -0.421) 3.068 3.683 ( -6.682 -0.967 5.507) 8.712 3.858 ( -2.217 -4.507 -1.540) 5.254 3.899 ( 7.755 3.409 -9.627) 12.824 3.968 ( 2.471 -3.724 -8.424) 9.536 4.149 ( -5.504 -1.656 2.543) 6.286 4.274 ( -2.363 1.184 3.081) 4.059 4.368 ( -3.652 -5.506 -3.619) 7.534 4.524 ( -6.473 -1.479 6.458) 9.262 4.608 ( 3.913 -2.344 -1.411) 4.775 4.721 ( 0.986 -1.111 -1.741) 2.288 4.776 ( -0.678 5.769 -0.140) 5.810 4.834 ( 4.174 -2.817 -1.083) 5.150 4.996 ( 0.995 2.628 -2.951) 4.075 5.055 ( 1.967 1.075 0.539) 2.305 5.166 ( 9.941 -5.636 4.163) 12.162 5.407 ( 2.654 5.141 3.521) 6.773 5.440 ( 2.328 0.391 -6.647) 7.054 5.672 ( 7.601 -0.715 1.220) 7.732 5.834 ( -2.789 -4.464 -2.322) 5.753 5.944 ( -3.543 1.070 -2.420) 4.422 6.008 ( -1.905 -4.721 -0.297) 5.100 6.289 ( -12.211 -5.981 -1.583) 13.689 7.222 ( 0.847 -6.367 2.439) 6.870 7.380 ( -1.601 -0.283 1.192) 2.016 7.587 ( 3.160 -4.173 -2.524) 5.811 7.687 ( -1.065 2.848 -0.921) 3.177 7.969 ( -2.651 2.617 5.468) 6.617 8.012 ( 0.670 9.673 -2.336) 9.974 8.347 ( -4.447 -8.112 5.922) 10.984 8.409 ( -6.063 -6.773 1.810) 9.269 8.780 ( 2.501 8.040 0.496) 8.434 8.922 ( 2.879 2.951 -1.410) 4.357 9.049 ( 0.076 1.457 -0.602) 1.578 9.119 ( -4.519 4.466 0.324) 6.362 9.137 ( -2.967 4.330 -0.760) 5.303 9.429 ( 1.448 -0.032 -4.296) 4.534 9.714 ( -2.399 -4.924 0.286) 5.485 10.059 ( -3.001 0.450 0.044) 3.035 10.105 ( 2.084 -2.942 3.621) 5.110 10.575 ( 0.024 1.367 -3.269) 3.543 10.847 ( -2.550 -0.811 3.654) 4.529 11.032 ( 3.914 0.088 0.194) 3.920 11.489 ( 6.900 4.738 -3.218) 8.968 11.632 ( -1.309 4.130 1.654) 4.637 11.911 ( -1.116 -1.112 -0.389) 1.623 12.043 ( -2.856 -1.581 0.268) 3.275 12.747 ( 7.483 3.311 -3.110) 8.754 12.788 ( -1.399 0.423 1.819) 2.334 13.027 ( -5.990 -1.658 -0.839) 6.272 13.151 ( -4.755 -2.334 -4.617) 7.027 13.639 ( 3.238 -0.654 -1.998) 3.861 13.703 ( -2.201 -1.938 1.092) 3.129 13.887 ( 1.418 3.780 9.752) 10.554 14.129 ( -3.751 1.674 4.835) 6.344 14.763 ( 6.112 2.339 -2.938) 7.173 14.831 ( 5.433 2.277 0.521) 5.914 14.880 ( 12.692 3.944 -2.244) 13.478 15.185 ( 2.089 -0.048 -3.209) 3.829 15.628 ( -3.330 6.761 2.534) 7.951 15.654 ( -4.311 7.358 0.084) 8.528 15.719 ( 5.726 4.823 -1.566) 7.649 15.879 ( 0.444 5.377 1.674) 5.649 16.547 ( 1.111 -3.181 1.868) 3.852 16.710 ( 0.818 -2.011 -2.477) 3.294 16.774 ( -1.137 0.308 1.735) 2.097 16.977 ( 0.333 -4.536 -0.155) 4.551 16.996 ( -2.729 1.891 0.973) 3.460 17.046 ( -3.322 -1.238 -2.095) 4.118 17.190 ( 0.657 -2.325 -1.580) 2.887 17.192 ( 1.848 -0.729 0.119) 1.990 19.873 ( 3.212 5.052 3.219) 6.797 20.089 ( 4.586 5.559 -3.803) 8.148 21.190 ( -4.773 -1.153 2.975) 5.741 21.319 ( -3.000 -1.988 -3.131) 4.771 22.876 ( -4.785 -5.540 6.411) 9.731 23.191 ( 1.035 -5.480 -6.621) 8.657 27.884 ( 0.120 -1.360 1.941) 2.373 28.061 ( -2.360 4.360 -0.687) 5.006 29.602 ( 0.457 2.454 -0.076) 2.498 29.733 ( 1.321 -0.639 -1.691) 2.239 29.921 ( 4.716 3.689 1.424) 6.154 30.054 ( -2.561 2.346 0.167) 3.477 31.040 ( 2.467 0.678 0.703) 2.653 31.158 ( 0.822 1.240 0.049) 1.489 31.429 ( 2.126 -7.671 -0.611) 7.984 31.544 ( -5.906 -8.492 1.295) 10.425 31.788 ( 2.239 4.062 1.218) 4.795 31.925 ( -0.828 1.214 3.054) 3.389 31.935 ( -1.964 -4.150 -1.570) 4.852 32.286 ( 3.519 -3.130 -3.282) 5.740 32.554 ( 3.312 1.007 -2.311) 4.162 32.607 ( 2.559 2.532 0.358) 3.618 32.812 ( 0.113 3.978 3.169) 5.087 33.139 ( -0.440 2.280 -6.340) 6.752 34.500 ( -0.769 -4.157 4.127) 5.908 34.641 ( 1.071 -7.548 -1.402) 7.751 34.775 ( -5.744 -1.913 9.386) 11.169 35.266 ( -9.977 0.205 -6.746) 12.045 35.968 ( 1.856 10.105 4.212) 11.104 36.233 ( 10.037 6.392 -6.836) 13.723 36.498 ( 9.994 8.834 2.965) 13.665 37.148 ( -12.268 3.668 -1.548) 12.898 ======================= Grid point 108 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -2.602 11.110 4.478) 12.258 2.016 ( -1.712 8.226 -6.064) 10.362 2.168 ( -4.658 -0.357 9.055) 10.189 2.241 ( 3.700 -4.901 1.931) 6.437 2.445 ( -0.377 10.512 3.488) 11.082 2.523 ( 5.506 6.110 4.313) 9.287 2.739 ( 4.537 -12.793 5.496) 14.644 3.047 ( -0.132 -7.970 -0.952) 8.027 3.221 ( -6.111 5.741 -1.222) 8.473 3.244 ( -0.315 8.071 8.320) 11.595 3.344 ( 1.843 6.222 2.395) 6.917 3.461 ( 1.972 -7.613 -5.663) 9.691 3.710 ( -2.804 -4.837 3.402) 6.544 3.852 ( 1.274 7.259 -1.494) 7.520 3.884 ( 4.643 -0.456 -11.667) 12.565 3.975 ( -7.244 4.671 0.431) 8.631 4.033 ( -0.512 -3.531 -7.522) 8.325 4.287 ( 0.802 -1.525 -4.906) 5.200 4.420 ( -3.993 -3.735 2.654) 6.078 4.504 ( -5.212 0.814 4.949) 7.233 4.574 ( 0.109 4.185 -1.322) 4.391 4.699 ( -4.564 -0.586 -0.609) 4.641 4.774 ( 3.639 0.417 -0.570) 3.706 4.893 ( 2.650 1.577 1.930) 3.638 4.936 ( 0.547 1.946 -1.342) 2.426 5.066 ( 2.092 -0.433 -2.389) 3.205 5.320 ( -0.510 -2.460 1.275) 2.817 5.354 ( 4.329 4.220 1.894) 6.335 5.529 ( 8.233 -0.527 -1.677) 8.419 5.745 ( 1.322 -5.809 -0.295) 5.965 5.868 ( 1.013 1.167 -1.158) 1.932 5.937 ( 4.027 -4.545 -2.145) 6.440 6.084 ( 0.928 -5.732 -1.004) 5.893 6.271 ( -12.320 -6.957 -2.665) 14.397 7.281 ( 0.954 -0.435 1.018) 1.462 7.429 ( 0.135 -4.112 -2.678) 4.909 7.624 ( -1.367 3.223 3.278) 4.796 7.723 ( 4.555 -6.104 -1.570) 7.776 7.856 ( 1.621 7.100 -0.613) 7.308 7.954 ( -3.427 -2.856 0.999) 4.571 8.440 ( -2.165 -6.463 4.245) 8.030 8.513 ( -3.964 -8.325 0.726) 9.249 8.657 ( 0.336 7.036 7.185) 10.062 8.878 ( -2.073 5.953 0.475) 6.321 8.934 ( 0.579 4.192 -3.624) 5.571 9.010 ( -2.336 4.586 -1.033) 5.249 9.180 ( 1.534 -5.122 2.255) 5.802 9.441 ( 0.475 -2.166 -4.069) 4.634 9.819 ( 1.138 -7.444 1.779) 7.738 10.038 ( -2.129 -1.217 -1.081) 2.680 10.208 ( 4.024 -3.940 3.962) 6.886 10.538 ( -1.270 0.919 -4.034) 4.327 10.847 ( -2.331 -0.586 4.193) 4.833 11.042 ( 3.402 2.299 -2.382) 4.747 11.433 ( 4.544 7.327 -1.566) 8.763 11.511 ( -5.666 6.358 1.421) 8.634 11.949 ( 1.460 -3.130 0.125) 3.456 12.050 ( -2.246 -2.387 -0.337) 3.295 12.774 ( 1.215 -0.445 1.366) 1.881 12.795 ( 5.701 0.442 -3.485) 6.697 13.001 ( -5.273 -1.538 -0.003) 5.493 13.143 ( -3.462 -3.835 -3.905) 6.476 13.654 ( 0.428 0.559 0.262) 0.752 13.720 ( -1.019 -1.584 -0.793) 2.044 13.884 ( 4.016 2.920 9.376) 10.610 14.087 ( -5.621 -0.185 5.731) 8.030 14.775 ( 9.815 4.816 -1.617) 11.052 14.860 ( 4.942 0.251 0.302) 4.958 14.915 ( 9.059 3.955 -2.211) 10.129 15.153 ( -3.351 2.334 -3.732) 5.532 15.425 ( -7.734 10.605 0.241) 13.128 15.486 ( -5.596 7.568 0.119) 9.413 15.665 ( 3.220 5.903 -0.557) 6.747 15.756 ( -2.915 7.765 0.817) 8.334 16.581 ( 1.878 1.794 2.994) 3.964 16.723 ( -3.532 -2.377 3.036) 5.229 16.816 ( 3.594 -2.671 -2.568) 5.162 16.941 ( -2.137 1.361 -0.739) 2.639 17.011 ( -0.695 0.537 -1.360) 1.618 17.061 ( -0.682 -3.547 -3.463) 5.004 17.217 ( -0.322 -1.315 0.552) 1.462 17.224 ( 1.357 -0.963 0.196) 1.676 19.811 ( 0.113 4.888 2.974) 5.722 20.008 ( 1.721 5.835 -4.257) 7.425 21.221 ( -1.819 -4.776 2.812) 5.833 21.348 ( 0.376 -3.826 -3.020) 4.889 22.949 ( -3.124 -5.246 6.245) 8.734 23.265 ( 2.098 -3.709 -6.340) 7.639 27.909 ( -0.173 -0.636 1.661) 1.787 27.992 ( -0.759 1.521 -0.629) 1.813 29.580 ( 1.344 1.946 1.968) 3.077 29.740 ( -0.273 -0.198 -1.502) 1.539 29.897 ( 2.861 4.220 0.602) 5.134 29.975 ( -3.425 2.374 -1.141) 4.321 31.042 ( 0.874 1.167 1.409) 2.028 31.134 ( -0.105 1.921 -0.165) 1.931 31.553 ( 0.371 -4.322 2.179) 4.854 31.626 ( -1.163 -5.493 -0.311) 5.623 31.773 ( 3.083 1.503 0.528) 3.470 31.873 ( -3.581 -0.248 0.340) 3.606 32.043 ( 1.986 -5.858 1.873) 6.463 32.356 ( 1.789 -2.372 -4.544) 5.429 32.541 ( 1.853 2.669 -2.121) 3.880 32.566 ( 0.197 3.217 -1.029) 3.383 32.762 ( 1.806 3.011 2.241) 4.165 33.049 ( -2.370 5.062 -5.809) 8.061 34.557 ( -0.731 -0.073 7.739) 7.774 34.687 ( -3.613 -2.909 8.842) 9.985 34.919 ( 0.850 -12.898 -0.980) 12.963 35.132 ( -5.689 4.125 -8.129) 10.745 35.853 ( 2.022 6.734 3.553) 7.878 36.125 ( 2.307 9.254 -6.301) 11.431 36.573 ( 15.351 -0.668 3.080) 15.671 36.979 ( -13.887 0.858 -1.679) 14.015 ======================= Grid point 109 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -1.994 17.283 7.078) 18.782 1.833 ( 0.113 9.123 -6.452) 11.175 1.988 ( -6.409 18.227 19.037) 27.124 2.271 ( -0.684 6.147 -2.593) 6.706 2.324 ( -1.305 0.391 -0.873) 1.618 2.635 ( 8.035 -5.267 0.427) 9.617 2.931 ( -6.173 3.059 4.860) 8.431 3.004 ( -4.374 11.117 6.268) 13.492 3.075 ( 2.071 -4.669 -1.004) 5.205 3.197 ( -0.061 5.026 5.561) 7.496 3.304 ( 4.751 -0.301 5.318) 7.137 3.567 ( 1.854 -4.498 -5.985) 7.713 3.643 ( -2.914 6.829 -2.111) 7.719 3.805 ( 1.116 -1.692 2.125) 2.937 3.907 ( 9.410 2.945 -12.868) 16.211 3.947 ( 2.268 -2.383 -2.508) 4.137 4.053 ( -4.789 -2.211 -1.075) 5.383 4.296 ( -1.396 -2.060 -6.352) 6.822 4.351 ( -4.995 5.715 0.800) 7.632 4.466 ( 1.090 0.743 -2.375) 2.717 4.552 ( -2.558 -0.168 2.951) 3.909 4.643 ( -2.008 3.821 2.887) 5.193 4.780 ( 2.246 0.073 2.626) 3.457 4.867 ( 2.677 5.373 -2.302) 6.429 4.956 ( 0.119 -4.755 -3.024) 5.636 5.069 ( -2.575 1.229 3.113) 4.223 5.238 ( 1.083 8.363 -0.456) 8.446 5.358 ( -2.244 -0.303 -5.736) 6.167 5.540 ( 3.970 1.573 2.907) 5.166 5.880 ( 0.935 -3.469 -8.521) 9.248 5.907 ( 2.910 -5.698 4.190) 7.648 6.047 ( 2.930 -3.887 -0.951) 4.959 6.188 ( -7.723 -7.608 -0.235) 10.844 6.330 ( 3.492 -9.024 -3.988) 10.466 7.297 ( 1.437 0.433 0.728) 1.669 7.446 ( -0.542 -0.090 -2.900) 2.952 7.574 ( -1.065 2.380 1.615) 3.068 7.722 ( 0.952 3.448 -2.954) 4.639 7.929 ( 3.327 -5.470 3.957) 7.526 8.020 ( -4.284 -10.141 -2.103) 11.208 8.490 ( -0.703 4.796 8.218) 9.541 8.575 ( 0.846 -6.740 8.101) 10.572 8.699 ( -7.370 -7.730 1.181) 10.745 8.770 ( 3.931 1.683 -0.584) 4.316 8.886 ( 0.357 4.414 -2.024) 4.869 8.924 ( 0.504 2.821 -1.223) 3.116 9.285 ( 0.217 -5.310 3.513) 6.371 9.497 ( -0.785 -5.807 -4.354) 7.300 9.966 ( 0.383 -7.582 2.264) 7.922 10.054 ( 0.449 -2.323 -1.398) 2.748 10.299 ( -0.452 -2.012 4.252) 4.726 10.504 ( 0.123 0.340 -4.432) 4.446 10.846 ( -1.533 0.026 2.846) 3.233 11.022 ( 3.624 2.243 -4.079) 5.899 11.339 ( -2.947 6.927 0.919) 7.584 11.346 ( 1.383 7.846 0.609) 7.991 12.032 ( 1.696 -4.282 0.920) 4.697 12.083 ( -1.822 -4.134 -1.079) 4.645 12.768 ( -5.465 -1.876 0.040) 5.778 12.858 ( 8.575 -0.372 -4.843) 9.855 13.006 ( -1.820 -3.638 3.939) 5.663 13.190 ( -0.966 -4.778 -3.026) 5.738 13.650 ( 0.460 0.567 2.172) 2.291 13.708 ( -3.107 0.537 -0.962) 3.297 13.901 ( 1.797 2.814 9.110) 9.703 14.073 ( -3.467 -1.902 2.818) 4.856 14.740 ( 1.016 8.116 1.242) 8.274 14.870 ( 0.375 6.770 -3.992) 7.868 14.912 ( 1.365 -1.586 1.277) 2.451 15.033 ( -3.029 5.119 -0.105) 5.949 15.198 ( 4.702 11.399 0.310) 12.334 15.330 ( -2.006 4.933 -5.386) 7.574 15.587 ( -3.801 8.429 0.312) 9.251 15.602 ( 3.768 5.174 0.279) 6.407 16.565 ( 0.424 2.004 5.157) 5.549 16.743 ( -1.528 -1.531 1.399) 2.576 16.868 ( 2.093 0.503 -0.937) 2.348 16.920 ( -0.850 -1.489 -2.670) 3.173 16.983 ( 0.305 1.256 -1.753) 2.178 17.080 ( -0.035 -0.519 -3.910) 3.945 17.227 ( -1.626 -0.753 1.166) 2.138 17.262 ( 1.274 -1.706 1.013) 2.358 19.743 ( -0.721 3.568 2.221) 4.264 19.918 ( 1.342 4.776 -4.348) 6.597 21.306 ( -1.610 -5.907 2.239) 6.519 21.424 ( 1.895 -4.627 -2.386) 5.540 23.023 ( -2.100 -4.359 5.268) 7.153 23.313 ( 1.998 -1.762 -5.955) 6.524 27.898 ( -1.613 1.249 2.953) 3.589 28.004 ( 1.128 -2.757 -1.306) 3.253 29.559 ( 1.423 3.466 4.468) 5.831 29.719 ( -0.703 2.204 -1.378) 2.693 29.845 ( -1.248 1.653 0.306) 2.093 29.937 ( 0.443 -0.123 -2.748) 2.787 31.026 ( -0.196 2.025 1.842) 2.744 31.096 ( -0.104 2.025 -0.534) 2.097 31.601 ( -1.073 -1.918 3.620) 4.235 31.661 ( 1.424 3.089 4.082) 5.313 31.803 ( 1.443 -3.303 -4.142) 5.491 31.876 ( -2.945 -2.983 -1.796) 4.561 32.162 ( 1.573 -5.052 2.641) 5.914 32.345 ( -3.318 0.823 -2.568) 4.275 32.487 ( 1.417 4.513 -0.914) 4.818 32.518 ( 1.314 3.127 -2.472) 4.197 32.761 ( -2.483 -0.365 -4.622) 5.259 32.913 ( 5.244 7.722 -5.019) 10.598 34.527 ( -0.730 4.452 8.642) 9.749 34.788 ( -5.290 -9.164 13.233) 16.943 34.976 ( -1.981 7.168 -7.867) 10.825 35.146 ( 5.013 -10.985 -1.846) 12.215 35.797 ( -1.059 2.425 3.550) 4.428 35.994 ( 2.550 5.966 -3.335) 7.295 36.785 ( -0.804 -10.545 0.831) 10.608 36.866 ( 0.394 -0.714 -2.163) 2.311 ======================= Grid point 110 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 8.830 13.043 11.593) 19.557 1.663 ( -1.181 20.906 17.701) 27.418 1.707 ( 4.750 7.010 -3.937) 9.338 2.018 ( -5.774 16.986 0.528) 17.948 2.297 ( -0.035 7.090 -0.812) 7.136 2.662 ( 0.441 4.419 -6.431) 7.815 2.795 ( 0.729 4.782 4.216) 6.416 2.857 ( -3.970 3.712 7.668) 9.398 3.161 ( 1.210 -2.280 6.526) 7.018 3.191 ( -1.681 -3.245 0.319) 3.668 3.385 ( 2.776 -1.459 4.957) 5.866 3.537 ( 3.594 3.547 -4.541) 6.791 3.639 ( 6.714 0.868 -5.345) 8.626 3.804 ( 0.802 2.765 -2.828) 4.036 3.889 ( 6.290 5.219 -8.753) 11.976 3.998 ( 3.503 0.423 -0.274) 3.540 4.052 ( -0.261 -2.693 -0.671) 2.788 4.203 ( -3.389 5.292 1.716) 6.514 4.318 ( -4.523 -3.123 -5.096) 7.495 4.401 ( -0.909 4.492 -2.908) 5.427 4.542 ( 0.302 1.640 3.163) 3.576 4.585 ( -0.854 2.815 3.619) 4.664 4.783 ( 2.921 5.744 -2.267) 6.831 4.840 ( 4.501 -1.268 -2.085) 5.120 4.956 ( -7.718 6.360 3.395) 10.562 4.987 ( -2.374 0.597 -0.294) 2.465 5.204 ( 2.553 -5.368 0.220) 5.948 5.311 ( -0.495 2.377 -6.286) 6.738 5.578 ( 4.443 0.589 3.099) 5.449 5.897 ( -0.410 -0.649 -9.587) 9.617 5.987 ( -3.273 -3.881 -1.872) 5.411 6.112 ( -0.874 -2.981 0.392) 3.131 6.224 ( -10.259 -8.133 -2.102) 13.259 6.518 ( 6.872 -5.540 -2.421) 9.153 7.290 ( 0.124 1.209 1.002) 1.575 7.447 ( -1.959 -2.025 -1.955) 3.429 7.532 ( 1.180 2.256 0.952) 2.718 7.691 ( 0.847 0.357 -3.499) 3.618 8.018 ( -4.019 -4.844 3.873) 7.390 8.164 ( -0.662 -8.487 -1.124) 8.587 8.455 ( -7.104 -0.501 15.407) 16.973 8.699 ( 4.495 -3.830 5.564) 8.114 8.738 ( -6.004 -0.625 1.987) 6.355 8.782 ( 1.286 -1.315 -0.237) 1.855 8.914 ( 4.159 -5.612 -1.326) 7.110 8.929 ( 4.525 -2.106 -1.634) 5.252 9.384 ( -1.333 -5.879 3.518) 6.979 9.571 ( -2.273 -5.982 -5.093) 8.179 10.043 ( -5.982 -4.890 -0.427) 7.738 10.135 ( 4.907 -2.955 0.399) 5.742 10.272 ( -6.745 1.097 2.710) 7.351 10.509 ( 2.463 0.382 -2.989) 3.892 10.826 ( -1.204 1.168 0.621) 1.789 11.024 ( 1.742 0.081 -2.060) 2.699 11.188 ( -0.836 6.125 -1.702) 6.412 11.285 ( 7.972 6.889 2.860) 10.918 12.110 ( -2.279 -4.754 1.106) 5.387 12.141 ( -2.507 -5.163 -0.911) 5.811 12.755 ( -5.124 -3.323 -1.204) 6.225 12.941 ( 5.149 -2.954 -2.946) 6.627 13.107 ( 3.702 -4.837 5.126) 7.961 13.253 ( -1.197 -4.766 -1.351) 5.097 13.642 ( -4.502 2.266 -1.187) 5.178 13.651 ( -0.124 0.995 3.366) 3.513 13.862 ( -3.046 3.446 7.237) 8.575 14.080 ( -2.058 -0.811 0.434) 2.255 14.532 ( -9.946 8.069 0.507) 12.817 14.680 ( -6.354 7.617 -0.258) 9.922 14.937 ( -0.308 0.166 1.839) 1.872 15.011 ( 14.110 5.942 1.060) 15.346 15.167 ( 17.340 6.716 -0.499) 18.602 15.269 ( 3.651 0.589 -6.957) 7.879 15.419 ( -2.144 7.210 -0.275) 7.527 15.579 ( 6.123 3.302 0.625) 6.985 16.564 ( -0.670 -0.024 5.027) 5.071 16.750 ( -0.664 -0.298 0.965) 1.209 16.846 ( 1.709 2.981 -0.276) 3.447 16.897 ( -2.734 0.930 -6.846) 7.430 17.003 ( 2.629 -1.223 1.868) 3.450 17.068 ( 0.283 0.652 -2.762) 2.852 17.220 ( -2.585 -0.205 2.647) 3.706 17.297 ( -0.096 -1.295 0.378) 1.352 19.696 ( -0.044 2.161 1.495) 2.628 19.860 ( 2.874 2.969 -4.300) 5.964 21.387 ( -2.638 -5.299 1.594) 6.130 21.509 ( 1.144 -4.143 -1.820) 4.668 23.073 ( -3.270 -2.651 3.791) 5.665 23.322 ( 0.590 0.343 -5.538) 5.580 27.868 ( -2.838 1.040 4.479) 5.403 28.086 ( 2.743 -5.233 -1.110) 6.012 29.534 ( 2.777 2.980 6.508) 7.678 29.646 ( -1.135 4.231 -1.290) 4.566 29.837 ( -1.775 -2.007 -0.351) 2.702 29.963 ( 2.767 -1.861 -2.950) 4.452 30.973 ( -1.157 3.804 1.570) 4.274 31.077 ( 1.355 0.735 -1.013) 1.845 31.594 ( -1.548 5.000 5.058) 7.279 31.638 ( 0.223 -0.036 5.146) 5.151 31.829 ( -4.278 -0.211 -6.441) 7.735 31.885 ( 0.099 -2.809 -5.015) 5.748 32.232 ( -2.521 -2.303 3.034) 4.567 32.298 ( -2.850 -0.227 -1.444) 3.203 32.426 ( 1.695 3.962 -2.148) 4.815 32.470 ( 3.014 4.910 -2.224) 6.176 32.618 ( -6.961 5.273 -2.227) 9.013 32.942 ( 16.570 2.455 -11.320) 20.217 34.468 ( -0.683 4.356 7.175) 8.421 34.774 ( -2.494 8.480 -6.948) 11.243 34.971 ( -7.726 -10.560 16.348) 20.940 35.373 ( 10.336 -8.202 1.220) 13.251 35.759 ( -4.284 -0.268 2.560) 4.998 35.976 ( 7.161 2.152 0.196) 7.480 36.760 ( -22.537 -11.847 -1.216) 25.490 37.151 ( 16.757 -12.604 -1.037) 20.994 ======================= Grid point 114 (50/95) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.151 -0.000 16.844) 17.348 1.329 ( -3.169 0.000 9.650) 10.157 1.993 ( 6.072 -0.000 1.926) 6.371 2.141 ( 7.834 -0.000 5.988) 9.861 2.652 ( 1.264 -0.000 -0.367) 1.317 2.776 ( 6.940 -0.000 4.732) 8.400 2.824 ( -1.986 0.000 2.506) 3.197 3.060 ( -2.137 0.000 7.072) 7.388 3.126 ( 2.925 -0.000 -21.982) 22.176 3.415 ( 8.799 -0.000 -1.516) 8.929 3.422 ( 5.388 -0.000 -2.049) 5.765 3.492 ( 6.435 -0.000 -2.216) 6.806 3.635 ( -3.806 0.000 9.314) 10.062 3.682 ( 0.109 -0.000 -8.040) 8.041 3.692 ( -3.446 0.000 0.810) 3.540 3.813 ( -4.062 0.000 4.069) 5.750 4.031 ( 1.379 -0.000 -1.674) 2.168 4.201 ( -1.736 0.000 0.822) 1.920 4.337 ( 2.362 -0.000 -4.921) 5.459 4.460 ( 1.439 -0.000 -12.891) 12.971 4.478 ( 10.947 -0.000 5.426) 12.218 4.671 ( 2.842 -0.000 2.346) 3.685 4.748 ( 11.245 -0.000 -5.673) 12.595 4.874 ( 3.126 -0.000 -2.219) 3.834 4.944 ( 2.478 -0.000 5.957) 6.452 5.147 ( 1.061 -0.000 -3.237) 3.406 5.215 ( -0.285 0.000 1.835) 1.857 5.439 ( 6.068 -0.000 3.705) 7.110 5.624 ( -7.318 0.000 1.957) 7.575 5.653 ( 1.865 -0.000 0.546) 1.943 5.820 ( -4.070 0.000 -0.544) 4.106 5.831 ( 1.200 -0.000 -6.729) 6.835 5.953 ( -10.259 0.000 0.994) 10.307 6.024 ( -13.742 0.000 -1.489) 13.822 6.979 ( -6.023 0.000 5.832) 8.384 7.498 ( -3.192 0.000 2.356) 3.967 7.608 ( -1.211 0.000 2.175) 2.489 7.858 ( -2.297 0.000 -2.046) 3.077 7.976 ( -7.772 0.000 5.412) 9.471 8.030 ( -7.996 0.000 6.112) 10.064 8.321 ( -3.737 0.000 3.085) 4.846 8.357 ( 3.761 -0.000 -5.256) 6.463 8.858 ( 1.086 -0.000 -1.567) 1.907 8.989 ( 6.939 -0.000 -0.856) 6.992 9.187 ( 0.335 -0.000 -3.822) 3.836 9.258 ( 2.277 -0.000 -7.210) 7.561 9.355 ( -5.395 0.000 4.438) 6.985 9.505 ( -6.430 0.000 -2.078) 6.758 9.748 ( -6.311 0.000 -1.537) 6.496 9.985 ( -7.488 0.000 -1.163) 7.578 10.138 ( -2.896 0.000 8.229) 8.724 10.618 ( 5.362 -0.000 -5.144) 7.431 10.843 ( 0.663 -0.000 1.799) 1.918 10.929 ( 1.061 -0.000 3.155) 3.328 11.482 ( 10.584 -0.000 -3.747) 11.228 11.644 ( 8.961 -0.000 3.077) 9.475 11.968 ( -5.490 0.000 -1.279) 5.637 12.040 ( -5.707 0.000 0.480) 5.727 12.879 ( -0.425 0.000 0.463) 0.629 12.989 ( 2.233 -0.000 -6.937) 7.287 13.025 ( -9.679 0.000 3.729) 10.372 13.040 ( -3.829 0.000 -2.640) 4.650 13.601 ( 5.422 -0.000 -4.487) 7.038 13.615 ( -1.905 0.000 1.538) 2.449 13.963 ( 1.468 -0.000 6.145) 6.318 14.285 ( -6.582 0.000 4.483) 7.963 14.784 ( -0.518 0.000 -1.571) 1.654 14.859 ( 6.809 -0.000 -5.081) 8.496 14.899 ( 14.342 -0.000 -1.227) 14.394 15.113 ( 6.509 -0.000 2.216) 6.876 15.694 ( 11.829 -0.000 5.992) 13.260 15.808 ( 11.042 -0.000 -0.351) 11.048 15.897 ( 3.870 -0.000 2.975) 4.882 16.077 ( -1.640 0.000 -2.673) 3.136 16.413 ( -6.467 0.000 2.248) 6.847 16.528 ( 5.240 -0.000 -8.659) 10.121 16.822 ( -0.659 0.000 -1.115) 1.295 16.838 ( 0.953 -0.000 2.179) 2.379 17.015 ( -1.499 0.000 4.188) 4.449 17.087 ( -0.396 0.000 -4.599) 4.616 17.118 ( -7.238 0.000 2.097) 7.536 17.127 ( 4.482 -0.000 0.225) 4.488 19.980 ( 10.778 -0.000 0.076) 10.778 20.213 ( 9.624 -0.000 1.703) 9.774 21.316 ( -9.971 0.000 3.250) 10.487 21.349 ( -7.818 0.000 -3.000) 8.374 22.729 ( -6.742 0.000 5.004) 8.396 22.967 ( -1.888 0.000 -7.354) 7.593 27.838 ( 0.093 -0.000 2.582) 2.584 28.284 ( -8.103 0.000 2.380) 8.445 29.756 ( 7.292 -0.000 -6.451) 9.736 29.869 ( -0.972 0.000 0.667) 1.179 29.898 ( 1.179 -0.000 1.100) 1.612 30.011 ( -0.740 0.000 4.497) 4.558 31.042 ( 8.773 -0.000 -2.183) 9.040 31.069 ( -0.385 0.000 1.982) 2.020 31.191 ( 0.842 -0.000 -2.208) 2.363 31.276 ( -0.681 0.000 0.759) 1.019 31.778 ( -4.404 0.000 1.980) 4.828 31.955 ( -7.011 0.000 -2.727) 7.523 32.071 ( 0.375 -0.000 2.240) 2.271 32.190 ( 3.375 -0.000 -1.560) 3.718 32.505 ( 4.969 -0.000 -3.099) 5.856 32.604 ( 9.008 -0.000 1.664) 9.160 32.874 ( 4.657 -0.000 7.447) 8.783 33.206 ( 1.927 -0.000 -12.275) 12.426 34.326 ( -0.428 0.000 -0.239) 0.490 34.374 ( 0.720 -0.000 -0.918) 1.167 34.888 ( -11.197 0.000 12.128) 16.506 35.304 ( -8.454 0.000 -5.408) 10.036 36.202 ( 11.328 -0.000 -2.796) 11.668 36.250 ( 9.209 -0.000 5.959) 10.969 37.174 ( -13.758 0.000 7.754) 15.793 37.295 ( -4.221 0.000 -11.673) 12.413 ======================= Grid point 115 (51/95) ======================= q-point: ( 0.44 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 2.865 -9.994 11.737) 15.679 1.465 ( -0.398 -13.849 8.807) 16.417 2.080 ( 2.642 -4.180 0.687) 4.993 2.188 ( 0.392 0.347 7.454) 7.472 2.610 ( 2.094 7.256 1.300) 7.663 2.683 ( 0.127 5.026 -1.880) 5.368 2.909 ( 0.510 -1.885 1.989) 2.788 3.010 ( 2.093 1.887 -0.501) 2.862 3.192 ( 0.675 -6.175 -13.549) 14.906 3.387 ( 7.117 9.423 2.249) 12.021 3.452 ( 4.135 0.997 -0.323) 4.265 3.505 ( -2.319 3.780 3.272) 5.511 3.687 ( -3.885 -2.826 -2.812) 5.566 3.692 ( -0.663 -7.600 -0.138) 7.630 3.728 ( -4.431 -0.764 -2.565) 5.176 3.800 ( 1.348 -6.679 5.832) 8.969 4.065 ( 0.794 -2.935 0.978) 3.194 4.248 ( 5.171 -1.751 2.848) 6.158 4.317 ( -1.421 -0.047 -8.823) 8.937 4.448 ( 2.971 -0.349 -7.535) 8.107 4.571 ( 8.589 2.195 2.727) 9.275 4.686 ( 2.705 -0.297 -1.625) 3.170 4.876 ( 4.149 -2.559 -1.367) 5.063 4.890 ( 0.437 2.952 0.938) 3.128 4.985 ( 7.806 -1.534 -0.181) 7.957 5.118 ( 1.981 4.547 -4.041) 6.397 5.164 ( 0.276 1.718 4.233) 4.576 5.472 ( -4.245 1.406 6.167) 7.618 5.559 ( -2.974 3.700 0.631) 4.789 5.682 ( 4.057 0.959 -3.301) 5.318 5.729 ( -4.105 0.202 -1.357) 4.328 5.858 ( -1.576 -3.545 -1.603) 4.198 5.888 ( -0.408 -3.075 -0.813) 3.207 6.042 ( -10.558 -9.405 -1.394) 14.208 6.986 ( -3.723 -4.494 7.812) 9.751 7.472 ( -0.928 1.045 2.254) 2.652 7.554 ( -2.648 3.446 -0.184) 4.350 7.787 ( -3.162 3.573 -3.323) 5.814 7.985 ( -7.079 -4.787 3.923) 9.403 8.010 ( -5.575 -5.401 4.468) 8.957 8.298 ( -1.827 0.897 2.943) 3.578 8.351 ( 3.779 4.171 -3.039) 6.397 8.872 ( 2.493 -0.170 -1.414) 2.871 9.027 ( 7.000 3.069 -1.351) 7.761 9.150 ( -0.583 3.081 -2.410) 3.954 9.225 ( -4.749 1.518 -0.881) 5.063 9.321 ( 1.564 2.946 -2.971) 4.467 9.432 ( -4.973 0.372 -2.203) 5.452 9.667 ( -4.788 1.863 -0.383) 5.152 9.952 ( -6.589 -4.326 -3.387) 8.579 10.129 ( -1.279 1.454 9.771) 9.961 10.630 ( 2.795 1.404 -5.094) 5.978 10.845 ( -0.833 0.773 2.902) 3.116 10.977 ( 2.701 -2.505 2.018) 4.200 11.570 ( 10.379 0.500 -3.345) 10.917 11.720 ( 5.869 1.018 2.291) 6.382 11.912 ( -3.983 0.474 -0.865) 4.103 11.993 ( -5.808 -0.785 0.488) 5.881 12.852 ( -1.738 2.289 2.515) 3.819 12.895 ( 0.509 4.400 -2.293) 4.988 12.982 ( -6.734 -1.246 -0.350) 6.858 13.064 ( 0.147 -2.515 -5.624) 6.163 13.617 ( -0.906 -1.393 0.644) 1.782 13.644 ( 5.340 -0.299 -4.349) 6.894 13.979 ( -0.053 1.359 8.191) 8.304 14.210 ( -7.001 2.309 4.981) 8.897 14.777 ( 0.773 0.200 -1.827) 1.994 14.896 ( 4.764 -0.325 -6.518) 8.080 14.988 ( 11.594 3.319 -0.272) 12.063 15.189 ( 5.961 -0.363 1.301) 6.112 15.773 ( 4.172 1.841 3.702) 5.874 15.860 ( 5.251 4.227 1.230) 6.852 15.917 ( 2.428 3.219 -1.376) 4.260 16.008 ( 1.789 4.299 2.275) 5.182 16.393 ( -2.965 -3.279 2.560) 5.109 16.592 ( 1.551 -4.649 -6.383) 8.048 16.818 ( -0.098 0.743 0.682) 1.013 16.852 ( 0.212 -1.190 0.308) 1.248 17.019 ( -2.922 -0.905 3.550) 4.686 17.049 ( -3.872 1.169 0.258) 4.053 17.092 ( -0.812 -2.111 -2.221) 3.170 17.176 ( 4.726 -0.592 -1.402) 4.965 20.048 ( 9.679 4.037 1.041) 10.538 20.261 ( 6.440 3.705 -0.098) 7.430 21.214 ( -9.656 1.534 3.568) 10.408 21.279 ( -5.431 -0.551 -3.194) 6.324 22.714 ( -5.299 -3.082 5.625) 8.320 22.983 ( -0.040 -5.191 -6.925) 8.655 27.852 ( 0.253 -0.488 2.969) 3.019 28.195 ( -5.963 2.569 -0.417) 6.506 29.733 ( 0.792 4.701 -2.944) 5.603 29.790 ( 2.187 4.741 -0.818) 5.285 29.980 ( 4.220 -1.887 1.067) 4.744 30.044 ( -1.762 -2.697 3.005) 4.405 31.066 ( 2.938 0.635 1.126) 3.210 31.171 ( 5.009 -5.561 -1.754) 7.688 31.183 ( 1.136 0.344 -1.572) 1.970 31.305 ( -3.514 -4.150 1.653) 5.683 31.773 ( -2.715 -2.943 1.286) 4.205 31.879 ( -5.114 0.730 -1.989) 5.535 32.047 ( 0.266 3.457 2.392) 4.212 32.218 ( 1.948 -0.735 -2.119) 2.970 32.556 ( 5.658 -0.695 -2.131) 6.085 32.677 ( 6.589 1.279 1.328) 6.842 32.907 ( 0.267 1.541 6.551) 6.735 33.181 ( 0.796 0.378 -9.398) 9.440 34.360 ( 0.261 -4.050 -0.125) 4.061 34.400 ( 1.030 -2.704 -1.458) 3.240 34.815 ( -9.060 1.077 11.451) 14.641 35.232 ( -6.105 -1.173 -6.131) 8.732 36.249 ( 6.864 5.535 1.359) 8.921 36.341 ( 9.313 0.638 1.549) 9.463 36.940 ( -4.480 12.726 2.047) 13.646 37.250 ( -7.680 0.122 -6.087) 9.800 ======================= Grid point 117 (52/95) ======================= q-point: ( 0.56 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.624 -13.641 8.571) 16.513 1.746 ( -2.473 -16.754 6.696) 18.212 2.116 ( -5.040 -1.168 -0.277) 5.181 2.267 ( 3.577 -5.878 3.018) 7.514 2.497 ( 6.207 10.367 2.394) 12.318 2.621 ( -2.337 1.402 1.308) 3.023 2.902 ( -1.555 0.355 -3.606) 3.943 3.031 ( 0.913 3.412 6.899) 7.751 3.178 ( 4.717 4.459 -11.227) 12.968 3.306 ( -4.417 1.011 2.202) 5.038 3.440 ( 2.039 3.572 4.336) 5.977 3.484 ( 3.140 0.559 -1.321) 3.453 3.605 ( -8.114 -0.286 1.106) 8.194 3.727 ( -3.174 -5.539 -5.524) 8.442 3.892 ( 3.304 -9.021 1.302) 9.695 3.927 ( 3.493 -4.339 -2.362) 6.051 4.121 ( 1.152 0.091 2.546) 2.796 4.267 ( -0.663 -0.107 -7.080) 7.112 4.320 ( 1.887 2.128 3.106) 4.211 4.458 ( -2.690 -1.739 1.502) 3.538 4.594 ( 1.732 -0.198 -5.448) 5.720 4.719 ( 2.495 -0.441 0.753) 2.644 4.841 ( 0.738 0.863 3.168) 3.366 4.894 ( 0.889 3.932 -4.963) 6.394 4.992 ( 3.039 1.579 1.617) 3.787 5.113 ( -0.652 0.643 -1.820) 2.038 5.235 ( 10.758 -0.845 2.029) 10.980 5.404 ( -3.583 -0.378 0.762) 3.682 5.482 ( -2.418 1.165 2.296) 3.532 5.702 ( -2.279 -0.094 -4.275) 4.845 5.752 ( 6.194 -3.721 -0.801) 7.270 5.905 ( -1.973 -3.494 -2.518) 4.737 5.929 ( -0.088 -1.726 1.682) 2.412 6.079 ( -8.559 -6.092 -1.836) 10.665 7.110 ( 0.427 -8.859 7.913) 11.886 7.414 ( -1.212 4.971 1.902) 5.459 7.543 ( 1.200 -3.812 -2.133) 4.530 7.691 ( -2.851 2.527 -4.553) 5.937 7.987 ( -3.545 0.107 6.520) 7.422 8.097 ( -3.445 -6.084 -0.144) 6.993 8.248 ( -0.623 4.646 2.670) 5.394 8.305 ( -1.577 -0.321 0.468) 1.676 8.895 ( 4.438 1.807 -2.029) 5.204 9.015 ( 4.316 4.440 -2.162) 6.559 9.078 ( -0.821 2.930 2.728) 4.087 9.137 ( -3.509 3.529 -1.839) 5.306 9.212 ( -4.264 6.713 -0.495) 7.968 9.420 ( 1.924 -0.686 -6.668) 6.973 9.638 ( -1.202 -2.147 2.208) 3.306 9.959 ( -5.503 -4.420 -5.177) 8.754 10.141 ( 1.963 0.480 9.826) 10.032 10.595 ( 0.293 2.406 -5.641) 6.140 10.835 ( -1.500 0.173 5.240) 5.453 11.046 ( 2.141 -2.006 -0.196) 2.940 11.625 ( 8.814 3.376 -2.760) 9.833 11.707 ( -0.292 4.582 1.129) 4.728 11.885 ( -1.385 -0.643 0.427) 1.586 11.969 ( -4.686 -2.490 -0.129) 5.308 12.792 ( -3.195 1.859 3.655) 5.199 12.874 ( 6.193 2.725 -2.913) 7.366 12.958 ( -0.884 -1.379 -2.054) 2.627 13.057 ( -4.138 -0.923 -4.972) 6.535 13.635 ( -1.779 -1.739 0.790) 2.610 13.685 ( 5.510 0.024 -4.449) 7.082 13.973 ( -0.195 1.987 9.892) 10.092 14.118 ( -7.946 2.028 5.899) 10.102 14.785 ( 2.055 -0.248 -2.083) 2.936 14.932 ( 5.897 -0.471 -7.280) 9.381 15.021 ( 7.710 3.787 0.882) 8.635 15.218 ( 1.312 1.550 -0.199) 2.040 15.734 ( 0.118 6.074 1.866) 6.355 15.756 ( -2.419 8.337 -0.342) 8.688 15.860 ( 3.993 5.931 1.558) 7.317 15.975 ( 0.485 4.487 0.937) 4.609 16.469 ( -0.899 -6.228 2.697) 6.846 16.665 ( 1.600 -4.307 -5.282) 7.001 16.783 ( -2.355 2.462 3.767) 5.079 16.900 ( 0.545 -3.898 -0.479) 3.965 16.982 ( -3.926 0.104 -0.741) 3.997 17.033 ( 0.612 0.591 0.249) 0.886 17.127 ( -0.881 -3.038 0.090) 3.164 17.221 ( 3.843 -0.280 -1.843) 4.271 20.025 ( 4.466 7.328 2.760) 9.014 20.219 ( 3.027 5.964 -2.661) 7.198 21.133 ( -6.182 -0.317 3.399) 7.062 21.255 ( -1.154 -1.637 -3.392) 3.939 22.759 ( -4.027 -5.296 6.450) 9.267 23.078 ( 1.752 -6.904 -6.681) 9.765 27.875 ( 0.370 -0.775 3.157) 3.272 28.098 ( -2.954 3.339 -1.970) 4.874 29.656 ( 0.150 3.742 0.491) 3.777 29.750 ( 1.457 1.979 -2.351) 3.401 30.023 ( 4.451 1.874 0.771) 4.891 30.052 ( -3.043 0.384 1.047) 3.241 31.082 ( 1.912 0.899 1.164) 2.412 31.179 ( 0.413 0.849 -0.998) 1.373 31.325 ( 3.982 -7.590 -0.636) 8.595 31.357 ( -4.852 -7.194 1.334) 8.779 31.810 ( -1.861 -2.052 0.239) 2.781 31.850 ( -0.797 -2.475 -0.874) 2.743 31.989 ( 0.344 4.365 3.550) 5.637 32.244 ( 0.889 -2.133 -4.120) 4.724 32.608 ( 5.463 0.585 -1.004) 5.585 32.681 ( 1.592 3.142 0.453) 3.551 32.873 ( -2.288 2.893 5.331) 6.482 33.157 ( 1.896 1.399 -7.048) 7.432 34.435 ( 0.503 -4.026 0.159) 4.061 34.496 ( 1.042 -8.393 -1.522) 8.594 34.753 ( -7.185 1.214 11.485) 13.601 35.182 ( -3.120 -0.289 -6.691) 7.389 36.158 ( 0.984 9.806 4.121) 10.682 36.391 ( 7.960 3.846 -4.924) 10.119 36.743 ( 2.122 9.905 4.467) 11.071 37.109 ( -7.532 5.131 -5.008) 10.398 ======================= Grid point 118 (53/95) ======================= q-point: (-0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.715 -3.660 3.801) 5.325 1.997 ( -4.876 -12.062 8.955) 15.795 2.074 ( -0.872 0.758 -3.455) 3.643 2.262 ( -3.918 4.944 -1.395) 6.461 2.522 ( 3.663 -4.105 7.571) 9.359 2.655 ( 6.429 -2.819 5.129) 8.694 2.801 ( -1.398 16.659 5.607) 17.633 2.921 ( -0.965 -3.942 -5.114) 6.529 3.206 ( -5.325 -2.588 2.244) 6.331 3.280 ( 1.324 -2.411 -8.625) 9.053 3.378 ( -2.952 6.119 5.239) 8.579 3.509 ( 4.888 0.900 2.924) 5.767 3.593 ( -3.867 -4.155 0.476) 5.696 3.783 ( -2.210 -5.459 -5.319) 7.935 3.991 ( 0.454 0.663 -1.688) 1.870 4.017 ( 6.690 -0.469 -2.908) 7.309 4.045 ( 3.645 7.495 -4.696) 9.566 4.235 ( -2.934 -0.334 -8.024) 8.550 4.346 ( 2.032 -3.977 5.156) 6.821 4.460 ( -3.174 -1.360 6.315) 7.197 4.598 ( -1.920 -2.107 -2.753) 3.963 4.731 ( -0.913 9.900 -3.388) 10.503 4.784 ( 3.333 -2.867 -0.550) 4.431 4.914 ( 0.384 -3.183 5.003) 5.942 4.993 ( 0.139 2.720 -2.859) 3.949 5.075 ( 0.964 2.306 -1.960) 3.177 5.268 ( -1.702 -0.052 7.246) 7.443 5.447 ( -2.677 -0.467 -0.235) 2.728 5.558 ( 10.294 -7.394 -1.943) 12.823 5.637 ( -7.080 0.343 -3.517) 7.913 5.878 ( 0.146 -3.348 -1.718) 3.766 5.910 ( 5.487 -0.937 -1.381) 5.735 5.991 ( -2.180 -4.312 1.381) 5.025 6.090 ( -0.999 -4.392 -3.624) 5.781 7.282 ( 2.482 -4.446 5.624) 7.587 7.358 ( -0.879 -1.275 -0.211) 1.563 7.624 ( -0.344 -0.560 -4.322) 4.372 7.654 ( 0.595 -5.366 0.502) 5.423 7.942 ( -2.616 3.400 4.199) 6.002 8.024 ( 1.052 9.959 -1.628) 10.146 8.290 ( -4.886 -9.977 2.993) 11.506 8.349 ( -0.057 -5.291 2.955) 6.060 8.828 ( 1.334 8.940 2.082) 9.275 8.983 ( 2.609 2.020 -3.362) 4.711 9.003 ( -1.152 8.605 0.002) 8.682 9.057 ( -0.979 3.311 -2.262) 4.128 9.128 ( -0.110 -2.535 3.840) 4.603 9.413 ( 0.383 0.555 -7.394) 7.425 9.725 ( 1.785 -5.918 4.598) 7.704 9.963 ( -3.873 -3.453 -4.465) 6.845 10.208 ( 3.083 -1.980 7.643) 8.476 10.536 ( -0.651 1.944 -6.253) 6.581 10.841 ( -0.945 -0.211 6.018) 6.095 11.070 ( -0.006 -0.042 -2.131) 2.131 11.582 ( -2.534 6.988 -0.218) 7.436 11.601 ( 3.698 6.755 -0.655) 7.729 11.917 ( 1.652 -2.694 1.341) 3.433 11.980 ( -2.266 -2.655 -1.234) 3.702 12.749 ( -3.878 0.624 2.215) 4.509 12.902 ( 7.891 0.497 -1.850) 8.120 12.952 ( -1.949 2.226 -3.655) 4.702 13.043 ( -0.161 -3.837 -3.249) 5.031 13.640 ( -2.485 -1.058 0.823) 2.823 13.719 ( 4.208 0.350 -3.269) 5.340 13.977 ( 0.841 1.538 9.721) 9.878 14.034 ( -8.448 0.439 6.768) 10.834 14.810 ( 2.093 -0.938 -2.104) 3.113 14.979 ( 4.293 -0.601 -7.863) 8.978 15.004 ( 4.012 4.814 2.567) 6.772 15.153 ( -5.918 3.546 -1.715) 7.109 15.584 ( 0.097 10.532 1.103) 10.590 15.598 ( -1.027 9.090 0.402) 9.157 15.793 ( 1.913 5.942 2.253) 6.637 15.863 ( -2.096 7.323 -1.084) 7.694 16.576 ( -0.688 -6.163 1.868) 6.476 16.687 ( -1.388 2.550 1.847) 3.441 16.772 ( -0.082 -3.631 -0.825) 3.725 16.943 ( 0.193 0.144 -3.048) 3.057 16.988 ( 0.469 -3.830 0.207) 3.864 17.026 ( 1.022 1.064 -0.338) 1.513 17.167 ( -1.237 -2.773 0.246) 3.046 17.245 ( 2.563 0.315 -1.301) 2.892 19.922 ( -0.584 7.415 3.436) 8.193 20.117 ( 0.715 6.645 -3.998) 7.788 21.137 ( -2.151 -3.480 2.863) 4.993 21.291 ( 2.364 -2.949 -3.145) 4.917 22.845 ( -2.446 -6.026 6.692) 9.331 23.188 ( 2.563 -5.737 -6.521) 9.055 27.901 ( 0.329 -0.899 2.714) 2.878 28.021 ( -0.883 2.974 -1.840) 3.607 29.621 ( 0.342 1.348 1.750) 2.235 29.732 ( 0.390 0.423 -2.407) 2.475 29.977 ( -4.592 3.940 0.211) 6.054 30.016 ( 3.958 3.655 0.084) 5.388 31.077 ( 0.409 1.349 1.623) 2.150 31.155 ( -0.816 1.386 -0.966) 1.876 31.427 ( -5.238 -7.516 1.851) 9.346 31.519 ( 5.378 -8.616 -0.804) 10.188 31.821 ( 1.222 -0.020 0.909) 1.523 31.862 ( -2.910 1.260 -0.844) 3.281 31.986 ( 2.238 -2.605 4.666) 5.794 32.278 ( -1.315 -3.546 -6.744) 7.732 32.617 ( -0.034 3.159 -0.505) 3.200 32.629 ( 3.684 3.391 -0.730) 5.060 32.811 ( -3.705 2.824 5.296) 7.053 33.119 ( 3.687 4.047 -6.746) 8.688 34.515 ( -0.074 -4.896 3.112) 5.802 34.657 ( 0.431 -5.600 2.285) 6.064 34.718 ( -5.497 -4.749 6.623) 9.830 35.147 ( 2.515 1.427 -7.185) 7.745 36.001 ( -1.326 9.505 4.328) 10.528 36.301 ( 2.811 9.872 -8.616) 13.401 36.671 ( -3.474 2.444 7.715) 8.807 36.958 ( 1.918 5.814 -4.845) 7.808 ======================= Grid point 119 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.648 12.515 4.354) 13.267 1.940 ( -3.236 4.130 -2.366) 5.755 2.104 ( -4.211 -0.737 6.190) 7.522 2.287 ( -1.262 -4.457 -0.316) 4.643 2.434 ( -2.214 15.057 3.837) 15.695 2.650 ( 2.564 0.008 9.164) 9.516 2.832 ( -1.737 -4.864 5.544) 7.577 2.991 ( -2.757 -4.794 -4.876) 7.373 3.181 ( 1.753 3.385 1.137) 3.978 3.232 ( -4.044 3.315 7.422) 9.079 3.332 ( -1.742 -4.010 -4.360) 6.174 3.545 ( 6.121 1.663 -0.255) 6.348 3.644 ( -3.351 -3.993 1.534) 5.434 3.806 ( -2.425 -0.669 -2.799) 3.763 3.890 ( 1.829 1.458 -4.150) 4.764 4.050 ( 11.951 2.788 -6.885) 14.071 4.078 ( 7.740 2.694 -0.901) 8.245 4.204 ( -0.158 -1.896 -10.860) 11.025 4.444 ( 1.234 -1.023 6.914) 7.097 4.458 ( -1.683 2.512 2.829) 4.141 4.559 ( -2.721 4.674 0.436) 5.426 4.625 ( -1.392 -3.584 -1.493) 4.124 4.813 ( 0.339 1.691 -1.220) 2.112 4.929 ( 0.595 2.813 0.600) 2.937 4.957 ( 0.530 -0.223 1.852) 1.939 5.067 ( 1.414 -0.087 -4.893) 5.094 5.233 ( -8.620 1.596 2.145) 9.025 5.405 ( -3.001 2.356 1.473) 4.090 5.571 ( -1.860 -0.879 0.700) 2.173 5.751 ( 1.837 -7.491 -4.900) 9.138 5.906 ( 0.194 -1.977 0.009) 1.987 5.970 ( -8.015 -1.859 0.373) 8.236 6.004 ( 3.248 -3.908 -2.330) 5.591 6.266 ( 11.783 -8.347 -2.433) 14.643 7.312 ( 0.905 -0.135 1.535) 1.788 7.426 ( 2.177 -2.206 -3.966) 5.033 7.591 ( -4.038 0.387 2.743) 4.897 7.769 ( 1.028 -1.958 -1.611) 2.736 7.872 ( -4.733 0.839 -0.094) 4.807 7.911 ( 3.444 1.358 2.576) 4.510 8.432 ( -3.987 -10.673 1.020) 11.439 8.485 ( 3.181 -7.256 4.205) 8.969 8.683 ( -2.040 8.836 6.334) 11.062 8.870 ( 2.226 5.663 -0.202) 6.089 8.959 ( -0.031 4.357 -2.359) 4.955 8.990 ( 3.813 3.281 -1.986) 5.409 9.212 ( -0.281 -4.453 3.311) 5.556 9.392 ( -2.086 -2.643 -5.295) 6.275 9.851 ( -1.085 -5.898 3.365) 6.877 10.000 ( 0.932 -4.600 -2.001) 5.102 10.273 ( -1.410 -1.151 4.908) 5.234 10.499 ( 1.193 0.165 -5.322) 5.457 10.855 ( 0.246 0.160 4.439) 4.448 11.044 ( -1.771 0.872 -2.614) 3.276 11.422 ( -3.179 7.519 -1.306) 8.267 11.523 ( 4.443 7.016 1.167) 8.386 11.993 ( 1.706 -2.598 1.635) 3.512 12.002 ( -1.004 -3.018 -1.873) 3.692 12.707 ( -4.062 0.159 -0.540) 4.101 12.885 ( -4.083 -0.298 -1.550) 4.377 12.992 ( 9.514 -1.415 -0.300) 9.624 13.116 ( 2.900 -3.376 -3.479) 5.649 13.636 ( -2.290 -0.842 1.292) 2.761 13.725 ( 1.960 1.750 -1.022) 2.820 13.942 ( -8.163 0.937 8.823) 12.056 14.031 ( 0.874 -0.932 5.018) 5.178 14.793 ( -6.119 4.397 -2.189) 7.846 14.892 ( -6.234 2.957 1.081) 6.984 14.955 ( -7.603 5.887 0.823) 9.651 15.081 ( 6.561 -1.296 -6.628) 9.415 15.422 ( 3.569 9.154 -0.097) 9.826 15.485 ( 8.246 8.718 0.507) 12.010 15.689 ( -2.531 8.186 -1.682) 8.732 15.735 ( 2.387 5.686 1.842) 6.436 16.628 ( -1.104 3.375 4.989) 6.124 16.660 ( -2.671 -5.079 0.975) 5.820 16.833 ( -0.873 -3.729 -2.890) 4.798 16.935 ( 3.024 1.631 -1.797) 3.878 17.015 ( 2.655 1.174 -1.559) 3.295 17.050 ( 0.191 -2.155 -1.119) 2.435 17.195 ( -1.178 -1.819 0.144) 2.172 17.259 ( 1.383 -0.277 -0.078) 1.413 19.812 ( -1.909 5.093 3.047) 6.234 20.006 ( 0.750 5.614 -4.328) 7.128 21.204 ( -1.203 -4.924 2.184) 5.519 21.368 ( 3.092 -3.735 -2.408) 5.414 22.942 ( -1.231 -5.188 6.101) 8.102 23.270 ( 2.246 -3.504 -6.177) 7.449 27.920 ( 0.099 0.496 2.115) 2.174 27.979 ( 0.043 0.202 -1.083) 1.103 29.615 ( -0.150 0.743 2.643) 2.750 29.728 ( 0.723 0.050 -2.169) 2.286 29.861 ( -4.758 3.956 0.334) 6.197 29.986 ( 3.480 3.555 -0.891) 5.054 31.062 ( 0.045 1.325 2.216) 2.582 31.115 ( -1.510 1.562 -0.979) 2.383 31.505 ( -4.154 -6.644 1.187) 7.925 31.689 ( 5.425 -3.667 1.428) 6.702 31.791 ( -4.420 0.445 -0.343) 4.455 31.840 ( 2.835 1.020 0.577) 3.068 32.090 ( 0.927 -5.237 3.641) 6.445 32.276 ( -5.009 -1.907 -6.600) 8.502 32.556 ( -0.137 2.935 -1.979) 3.543 32.602 ( 4.054 4.052 -1.903) 6.039 32.737 ( -5.816 2.598 3.428) 7.234 33.069 ( 7.675 5.109 -6.137) 11.076 34.605 ( 0.200 -0.511 9.453) 9.469 34.646 ( -5.871 -2.979 8.499) 10.751 34.878 ( -1.367 -10.034 -4.215) 10.969 35.161 ( 11.062 0.636 -6.207) 12.701 35.853 ( -4.140 6.625 3.536) 8.575 36.136 ( 2.607 8.219 -6.459) 10.773 36.562 ( -18.314 -0.181 3.243) 18.599 36.978 ( 14.680 0.949 -1.667) 14.804 ======================= Grid point 120 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.675 10.929 7.243) 13.919 1.858 ( 2.864 5.070 1.692) 6.063 2.006 ( 0.592 13.683 10.329) 17.154 2.200 ( -3.799 9.281 -0.519) 10.042 2.316 ( 1.208 -0.500 -2.925) 3.204 2.660 ( -6.507 2.234 -2.990) 7.502 2.809 ( -7.136 -1.825 8.787) 11.465 2.972 ( -0.484 7.399 0.872) 7.465 3.107 ( -0.620 -1.741 4.593) 4.951 3.251 ( 2.218 4.319 4.660) 6.730 3.386 ( 1.382 -3.806 -1.297) 4.252 3.605 ( 4.734 -1.952 -1.775) 5.420 3.644 ( 2.254 -0.292 -1.256) 2.596 3.837 ( -0.379 -2.615 1.137) 2.876 3.888 ( -0.872 -1.123 -11.805) 11.891 4.087 ( 10.136 4.495 -1.766) 11.227 4.119 ( 11.535 1.593 -1.182) 11.705 4.209 ( -0.950 -1.277 -6.579) 6.768 4.313 ( -0.237 8.649 2.543) 9.019 4.473 ( 0.699 4.364 -0.936) 4.518 4.537 ( 0.512 -1.983 3.829) 4.342 4.656 ( 0.846 0.409 3.028) 3.171 4.810 ( 0.303 -2.646 -2.955) 3.978 4.899 ( 0.261 4.919 2.233) 5.409 4.945 ( -1.662 1.092 -1.439) 2.455 5.023 ( -1.228 1.948 2.205) 3.188 5.114 ( -7.640 0.782 -3.699) 8.524 5.351 ( -0.855 1.664 -1.240) 2.244 5.601 ( -0.354 -2.016 -0.080) 2.048 5.819 ( -6.927 -3.829 -3.702) 8.738 5.875 ( -5.936 -2.178 -2.411) 6.767 6.009 ( -0.870 -5.845 -1.717) 6.154 6.084 ( 2.616 -1.864 0.416) 3.239 6.487 ( 7.896 -6.163 -1.461) 10.123 7.325 ( 0.396 0.725 0.428) 0.931 7.423 ( 1.012 1.807 -4.115) 4.607 7.565 ( -1.088 0.588 2.380) 2.683 7.721 ( 0.062 3.165 -3.058) 4.401 7.857 ( -6.177 -5.445 0.791) 8.273 8.038 ( 1.236 -7.916 3.106) 8.593 8.514 ( -2.290 5.665 9.729) 11.489 8.591 ( -3.080 -7.698 0.021) 8.291 8.651 ( 1.015 -5.912 4.410) 7.445 8.840 ( 0.207 4.398 -2.640) 5.133 8.893 ( 6.176 -0.373 -0.581) 6.215 8.987 ( 4.704 1.648 0.087) 4.985 9.280 ( -2.759 -4.992 2.303) 6.151 9.437 ( -2.604 -5.665 -2.356) 6.665 9.908 ( -4.818 -4.336 0.029) 6.482 10.108 ( 3.157 -4.851 0.438) 5.805 10.231 ( -6.814 1.553 1.170) 7.086 10.519 ( 2.330 -0.857 -2.376) 3.436 10.855 ( 0.854 1.817 1.659) 2.605 11.012 ( -2.539 -0.107 -0.273) 2.556 11.292 ( 1.658 5.582 -2.981) 6.542 11.473 ( 6.763 5.753 2.272) 9.165 12.024 ( -1.683 -2.836 -1.200) 3.510 12.053 ( -1.518 -2.670 0.800) 3.174 12.675 ( -3.077 -1.143 -1.704) 3.698 12.893 ( -1.911 -3.836 -0.215) 4.291 13.114 ( 7.804 -2.627 1.103) 8.308 13.183 ( 2.389 -2.967 -3.075) 4.896 13.620 ( -2.597 0.737 0.827) 2.823 13.705 ( 1.688 2.195 1.635) 3.216 13.873 ( -7.585 1.007 7.062) 10.412 14.052 ( -1.757 -0.203 2.454) 3.025 14.584 ( -7.765 7.808 -0.079) 11.012 14.700 ( -10.474 5.477 0.427) 11.827 14.905 ( -3.027 -0.531 1.479) 3.410 15.162 ( 5.890 -2.327 -5.763) 8.563 15.369 ( 12.474 7.060 0.257) 14.335 15.462 ( 12.669 5.970 -0.385) 14.011 15.526 ( -0.394 7.510 -2.489) 7.922 15.695 ( 4.326 3.843 1.928) 6.099 16.586 ( -1.700 1.870 5.252) 5.829 16.705 ( -2.355 -3.045 1.173) 4.025 16.847 ( -2.620 -1.322 -4.844) 5.664 16.927 ( 3.857 2.927 -0.750) 4.900 17.031 ( 4.121 0.502 -0.214) 4.157 17.063 ( -0.208 -0.468 -2.453) 2.506 17.203 ( -1.296 -0.385 0.611) 1.484 17.279 ( -0.135 -0.864 0.351) 0.943 19.741 ( -0.685 2.809 2.296) 3.692 19.930 ( 2.478 3.605 -4.149) 6.029 21.277 ( -2.291 -4.957 1.782) 5.744 21.447 ( 1.218 -3.659 -1.982) 4.336 23.015 ( -1.939 -2.840 5.054) 6.113 23.306 ( 0.917 -0.973 -5.720) 5.874 27.894 ( -0.542 2.290 2.313) 3.300 28.019 ( 0.886 -4.090 -0.719) 4.246 29.605 ( 0.111 1.170 3.393) 3.591 29.708 ( 0.801 3.213 -1.870) 3.803 29.787 ( -2.821 0.072 0.341) 2.842 29.978 ( 3.517 0.573 -1.247) 3.775 31.030 ( -0.525 3.257 1.337) 3.560 31.089 ( -0.147 -0.014 -0.070) 0.163 31.579 ( -2.067 -5.233 1.765) 5.897 31.665 ( -4.322 3.954 4.230) 7.225 31.823 ( -0.582 1.301 -1.380) 1.984 31.843 ( 4.071 -1.524 -2.899) 5.225 32.167 ( -2.591 -3.140 2.266) 4.659 32.235 ( -4.666 -1.619 -3.557) 6.086 32.496 ( 0.650 3.778 -2.494) 4.574 32.561 ( 1.213 3.746 -3.479) 5.254 32.651 ( -0.581 2.911 2.807) 4.086 33.075 ( 10.093 2.287 -7.613) 12.847 34.558 ( -2.046 4.555 9.303) 10.558 34.741 ( -5.259 -6.793 7.788) 11.595 34.905 ( -0.374 2.845 -3.817) 4.776 35.347 ( 14.477 -8.442 -1.759) 16.850 35.737 ( -4.718 2.265 1.545) 5.456 36.082 ( 6.369 2.070 -2.282) 7.075 36.391 ( -22.944 -3.593 -0.728) 23.235 37.148 ( 12.667 -5.165 -0.428) 13.686 ======================= Grid point 126 (56/95) ======================= q-point: ( 0.44 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -2.327 0.000 13.362) 13.563 1.398 ( 4.297 -0.000 10.404) 11.257 2.073 ( 0.741 -0.000 3.801) 3.872 2.177 ( -5.739 0.000 5.437) 7.906 2.632 ( -0.884 0.000 -0.500) 1.016 2.791 ( -2.636 0.000 0.561) 2.695 2.851 ( 1.312 -0.000 -3.680) 3.907 3.070 ( -1.211 0.000 5.250) 5.388 3.110 ( 8.154 -0.000 -18.078) 19.832 3.454 ( 2.001 -0.000 -2.309) 3.055 3.516 ( -5.355 0.000 5.632) 7.772 3.568 ( 0.915 -0.000 -8.752) 8.800 3.610 ( -5.814 0.000 -0.693) 5.855 3.683 ( 9.355 -0.000 6.579) 11.437 3.703 ( -8.531 0.000 13.169) 15.691 3.703 ( 5.383 -0.000 -5.236) 7.509 4.053 ( 1.772 -0.000 1.243) 2.164 4.285 ( 1.117 -0.000 -9.380) 9.446 4.298 ( 5.777 -0.000 4.898) 7.574 4.457 ( 4.365 -0.000 -8.411) 9.476 4.676 ( 3.572 -0.000 0.355) 3.590 4.718 ( 3.525 -0.000 1.257) 3.742 4.850 ( 0.227 -0.000 -6.593) 6.597 4.975 ( -6.297 0.000 6.718) 9.208 4.981 ( 8.238 -0.000 -4.856) 9.562 5.119 ( -0.252 0.000 -2.691) 2.702 5.225 ( 2.777 -0.000 2.536) 3.761 5.444 ( -7.578 0.000 8.236) 11.191 5.628 ( 2.904 -0.000 1.952) 3.499 5.690 ( -0.775 0.000 1.752) 1.916 5.728 ( -1.930 0.000 -1.453) 2.416 5.802 ( 1.390 -0.000 -11.049) 11.136 5.854 ( -0.156 0.000 1.070) 1.081 5.859 ( -3.816 0.000 0.482) 3.847 6.938 ( -2.982 0.000 10.527) 10.941 7.452 ( -1.756 0.000 -0.772) 1.918 7.593 ( -1.227 0.000 2.261) 2.573 7.795 ( -1.554 0.000 -3.351) 3.694 7.859 ( -5.925 0.000 0.443) 5.941 7.921 ( -5.425 0.000 3.543) 6.479 8.302 ( -1.015 0.000 3.558) 3.700 8.431 ( 4.882 -0.000 -3.145) 5.808 8.894 ( 2.714 -0.000 0.927) 2.868 9.118 ( 5.245 -0.000 -3.271) 6.182 9.173 ( 2.638 -0.000 -3.156) 4.114 9.195 ( -4.148 0.000 1.047) 4.278 9.360 ( 3.538 -0.000 -5.251) 6.332 9.362 ( -7.812 0.000 -0.982) 7.873 9.655 ( -2.593 0.000 0.206) 2.602 9.833 ( -5.553 0.000 -4.751) 7.309 10.164 ( -0.374 0.000 11.532) 11.539 10.647 ( 1.641 -0.000 -6.648) 6.847 10.865 ( -0.201 0.000 3.306) 3.312 10.969 ( 0.794 -0.000 1.816) 1.983 11.666 ( 10.488 -0.000 -2.488) 10.779 11.785 ( 3.033 -0.000 1.473) 3.372 11.874 ( -2.573 0.000 -1.332) 2.898 11.931 ( -6.616 0.000 1.229) 6.730 12.843 ( -6.332 0.000 4.726) 7.902 12.920 ( -0.191 0.000 -0.749) 0.773 12.922 ( -1.700 0.000 -1.528) 2.285 13.060 ( 4.558 -0.000 -7.603) 8.864 13.592 ( -0.903 0.000 0.157) 0.916 13.693 ( 7.425 -0.000 -6.573) 9.917 14.005 ( -2.051 0.000 9.367) 9.589 14.168 ( -8.864 0.000 5.797) 10.591 14.785 ( 1.913 -0.000 -1.989) 2.760 14.906 ( 3.429 -0.000 -7.619) 8.355 15.113 ( 7.587 -0.000 0.519) 7.605 15.230 ( 2.320 -0.000 1.859) 2.972 15.835 ( 3.136 -0.000 1.879) 3.656 15.911 ( -1.453 0.000 -0.030) 1.454 15.995 ( 5.975 -0.000 1.225) 6.099 16.051 ( -2.203 0.000 2.717) 3.498 16.340 ( -2.807 0.000 3.087) 4.173 16.543 ( 1.165 -0.000 -4.941) 5.077 16.839 ( 2.964 -0.000 -2.633) 3.964 16.843 ( -0.765 0.000 0.619) 0.984 16.962 ( -7.203 0.000 2.855) 7.749 17.060 ( 0.451 -0.000 3.835) 3.861 17.060 ( 0.675 -0.000 -3.746) 3.806 17.208 ( 4.087 -0.000 -1.720) 4.434 20.181 ( 9.054 -0.000 0.394) 9.063 20.334 ( 1.433 -0.000 0.199) 1.447 21.149 ( -8.651 0.000 3.864) 9.475 21.231 ( -1.446 0.000 -2.807) 3.157 22.661 ( -3.742 0.000 5.139) 6.357 22.923 ( 1.566 -0.000 -6.287) 6.479 27.863 ( 0.773 -0.000 3.842) 3.919 28.158 ( -4.839 0.000 -2.139) 5.291 29.788 ( 2.143 -0.000 -3.317) 3.949 29.847 ( -1.090 0.000 -1.597) 1.934 29.992 ( 4.784 -0.000 1.502) 5.014 30.001 ( -2.899 0.000 4.266) 5.158 31.073 ( -0.471 0.000 2.097) 2.150 31.188 ( 3.959 -0.000 -1.705) 4.310 31.196 ( 3.805 -0.000 -2.317) 4.455 31.248 ( -2.896 0.000 0.822) 3.010 31.731 ( -1.315 0.000 1.265) 1.825 31.829 ( -3.766 0.000 -1.626) 4.102 32.086 ( -0.219 0.000 2.438) 2.447 32.222 ( 1.058 -0.000 -2.241) 2.478 32.602 ( 6.409 -0.000 -0.816) 6.461 32.739 ( 2.436 -0.000 0.055) 2.437 32.926 ( -3.378 0.000 6.919) 7.700 33.172 ( 2.990 -0.000 -8.046) 8.584 34.326 ( 0.127 -0.000 0.407) 0.426 34.388 ( 1.807 -0.000 -2.892) 3.410 34.774 ( -8.098 0.000 11.328) 13.924 35.169 ( -1.781 0.000 -6.342) 6.587 36.386 ( 0.828 -0.000 4.661) 4.734 36.403 ( 11.132 -0.000 -2.179) 11.343 36.965 ( -12.811 0.000 6.139) 14.205 37.207 ( 2.255 -0.000 -9.976) 10.227 ======================= Grid point 127 (57/95) ======================= q-point: (-0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -6.079 -12.581 9.322) 16.797 1.559 ( 3.670 -9.211 13.326) 16.610 2.056 ( -5.882 1.081 1.403) 6.143 2.193 ( -1.054 -6.013 3.988) 7.292 2.609 ( -3.147 2.966 -1.886) 4.718 2.716 ( 5.414 4.357 1.382) 7.085 2.849 ( -3.612 0.241 -5.218) 6.350 3.064 ( -0.159 0.289 4.588) 4.599 3.169 ( 4.286 -3.262 -12.123) 13.265 3.438 ( -3.280 7.161 1.280) 7.979 3.488 ( 0.668 -0.836 -0.363) 1.131 3.513 ( -0.155 4.813 1.690) 5.104 3.539 ( -5.196 -0.202 -0.967) 5.289 3.611 ( -2.114 -1.865 -2.899) 4.044 3.795 ( 1.769 -5.780 7.618) 9.725 3.886 ( 7.436 -6.006 1.026) 9.614 4.101 ( 1.224 -2.949 0.182) 3.198 4.286 ( 5.038 0.957 -7.831) 9.361 4.365 ( 1.539 -0.991 6.650) 6.897 4.460 ( 1.945 2.432 -3.984) 5.057 4.613 ( -2.061 3.011 -5.437) 6.548 4.758 ( 1.549 1.868 -2.011) 3.152 4.846 ( 0.295 -1.061 -1.958) 2.247 4.889 ( -6.353 0.360 5.535) 8.434 5.022 ( -5.314 -3.980 -6.818) 9.516 5.124 ( 7.639 4.441 -1.442) 8.953 5.286 ( 4.681 -2.098 2.296) 5.620 5.380 ( -7.822 1.387 6.481) 10.252 5.525 ( 0.485 6.892 3.682) 7.829 5.686 ( -0.550 2.084 -3.432) 4.053 5.766 ( 4.522 -2.600 -1.288) 5.373 5.809 ( -1.533 -3.361 -4.148) 5.554 5.909 ( 1.878 -3.462 0.992) 4.062 5.919 ( -1.059 -6.996 -0.958) 7.140 7.009 ( 0.493 -6.137 11.365) 12.926 7.469 ( 0.084 -3.589 -2.192) 4.207 7.516 ( -0.732 6.795 1.907) 7.095 7.725 ( -0.472 4.615 -4.683) 6.592 7.895 ( -4.002 -7.824 0.636) 8.811 7.949 ( -2.654 -5.085 4.685) 7.406 8.288 ( -1.184 1.653 2.958) 3.590 8.406 ( 2.522 6.125 -2.300) 7.012 8.931 ( 3.221 -0.844 0.870) 3.441 9.098 ( -0.469 3.246 -3.420) 4.739 9.142 ( -0.695 3.105 -0.959) 3.323 9.166 ( 0.343 3.198 -0.779) 3.309 9.264 ( -2.529 4.088 -0.076) 4.807 9.402 ( 2.907 -2.078 -6.464) 7.386 9.636 ( 1.612 0.603 2.387) 2.943 9.820 ( -3.355 -4.113 -5.651) 7.753 10.196 ( 1.281 0.469 11.276) 11.358 10.619 ( 0.486 2.080 -7.300) 7.606 10.853 ( -0.976 1.269 4.985) 5.235 11.006 ( -1.011 -3.095 0.203) 3.262 11.745 ( 7.775 1.750 -1.953) 8.205 11.751 ( -3.505 2.261 -0.957) 4.279 11.866 ( -4.313 -0.087 1.816) 4.681 11.897 ( 0.737 -1.713 -0.015) 1.864 12.790 ( -4.379 1.211 3.443) 5.700 12.910 ( 0.533 0.446 -0.601) 0.919 12.943 ( 2.011 -1.749 -0.840) 2.794 13.062 ( 4.269 2.246 -7.464) 8.887 13.595 ( -0.763 -1.066 -0.676) 1.475 13.739 ( 7.215 0.568 -6.514) 9.738 14.004 ( -3.244 0.282 10.594) 11.083 14.084 ( -9.354 1.544 6.337) 11.403 14.801 ( 2.902 0.158 -2.004) 3.530 14.925 ( 3.091 -1.352 -8.004) 8.686 15.137 ( 2.685 2.857 2.055) 4.427 15.230 ( -3.112 0.693 0.341) 3.206 15.831 ( 1.292 3.930 1.119) 4.286 15.860 ( 0.168 5.180 -1.018) 5.282 15.971 ( -1.687 4.348 3.592) 5.887 16.026 ( -2.217 1.905 1.167) 3.147 16.369 ( -1.883 -4.506 3.209) 5.844 16.581 ( 1.246 -4.334 -4.693) 6.509 16.827 ( -0.056 2.634 1.572) 3.068 16.858 ( 0.506 -1.794 -0.771) 2.017 16.929 ( -3.170 -1.918 -0.405) 3.727 17.056 ( 1.889 0.709 -1.253) 2.375 17.091 ( 0.382 -1.271 2.379) 2.724 17.241 ( 3.064 -0.439 -2.010) 3.691 20.188 ( 2.305 6.463 2.232) 7.216 20.298 ( -1.878 3.017 -1.982) 4.069 21.093 ( -3.582 0.264 3.178) 4.796 21.237 ( 3.080 -0.542 -2.364) 3.920 22.674 ( -2.403 -3.144 5.429) 6.718 22.976 ( 3.198 -5.212 -6.068) 8.615 27.886 ( 1.215 -0.067 4.692) 4.847 28.102 ( -2.370 1.328 -3.502) 4.432 29.736 ( 0.109 5.498 0.046) 5.499 29.803 ( 1.070 3.187 -3.056) 4.543 30.011 ( -3.050 -2.061 2.635) 4.527 30.059 ( 2.468 -1.823 0.970) 3.218 31.089 ( -0.523 -1.178 1.903) 2.298 31.191 ( 0.420 0.516 -1.920) 2.032 31.234 ( -3.817 -2.623 0.376) 4.646 31.267 ( 3.644 -3.906 -0.727) 5.392 31.753 ( 0.063 -2.542 0.977) 2.724 31.818 ( 0.680 -1.094 -1.339) 1.858 32.064 ( -0.290 2.910 3.018) 4.202 32.220 ( -0.025 -0.150 -3.134) 3.138 32.664 ( 5.588 -0.046 0.321) 5.598 32.717 ( -2.864 1.510 -1.494) 3.566 32.887 ( -5.982 1.319 5.949) 8.539 33.192 ( 6.220 0.804 -6.244) 8.850 34.366 ( 0.367 -4.280 -0.113) 4.298 34.414 ( 1.585 -2.364 -2.842) 4.022 34.734 ( -6.495 0.434 11.706) 13.394 35.153 ( 1.662 -0.308 -6.341) 6.562 36.317 ( -2.175 7.031 3.558) 8.175 36.489 ( 7.266 1.612 -2.754) 7.936 36.827 ( -10.846 3.970 5.345) 12.727 37.175 ( 5.161 4.994 -7.566) 10.432 ======================= Grid point 128 (58/95) ======================= q-point: (-0.33 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -6.442 -16.392 4.191) 18.104 1.790 ( -5.167 -10.643 17.356) 21.005 2.007 ( -2.397 -3.617 -3.042) 5.299 2.313 ( 2.658 -0.894 -4.224) 5.070 2.471 ( -8.078 1.408 8.861) 12.073 2.755 ( 2.035 -0.814 -3.837) 4.419 2.786 ( 2.130 1.862 -3.680) 4.642 3.057 ( -2.423 3.518 9.523) 10.438 3.190 ( 0.051 8.658 -7.634) 11.543 3.249 ( 0.091 -0.631 -1.100) 1.271 3.429 ( -5.596 4.218 3.699) 7.924 3.471 ( -4.730 -1.162 -1.698) 5.158 3.584 ( 3.917 -2.826 -2.328) 5.362 3.665 ( 1.653 -4.980 -1.411) 5.433 3.930 ( -0.742 -6.861 2.363) 7.294 4.049 ( 9.365 -4.044 2.345) 10.466 4.128 ( -1.693 0.225 -3.397) 3.802 4.259 ( 5.315 5.653 -7.002) 10.451 4.375 ( 2.079 1.663 1.493) 3.053 4.439 ( -1.118 -0.724 4.780) 4.962 4.553 ( -1.657 0.375 -4.487) 4.798 4.738 ( 0.780 -1.458 -5.799) 6.030 4.849 ( -2.572 -3.363 5.779) 7.164 4.876 ( -2.905 3.823 2.163) 5.267 5.003 ( -3.574 -0.517 -3.244) 4.855 5.082 ( -1.242 1.596 -4.533) 4.963 5.296 ( -2.461 1.802 4.302) 5.273 5.355 ( -4.051 -2.083 3.687) 5.860 5.506 ( 1.946 0.319 -1.473) 2.461 5.640 ( 2.273 1.235 -3.453) 4.315 5.816 ( -1.732 -2.208 -2.087) 3.497 5.873 ( -0.000 -5.260 -0.600) 5.294 5.987 ( 5.220 -1.550 1.834) 5.746 6.038 ( 6.975 -5.393 -2.950) 9.297 7.192 ( 2.161 -9.077 10.212) 13.833 7.402 ( -0.408 5.368 -0.879) 5.455 7.559 ( 1.004 -5.827 1.230) 6.039 7.638 ( 1.323 3.754 -6.948) 8.007 7.969 ( -2.219 -1.655 3.062) 4.128 8.039 ( -2.565 -6.694 3.647) 8.043 8.239 ( -1.135 5.261 2.326) 5.863 8.322 ( 2.398 1.564 -0.230) 2.872 8.969 ( 3.497 3.798 -2.473) 5.724 8.999 ( -3.272 2.493 -1.082) 4.253 9.062 ( -3.551 3.046 -0.134) 4.680 9.121 ( -0.459 1.057 1.354) 1.778 9.181 ( 5.408 7.177 -1.394) 9.094 9.418 ( 1.480 0.973 -6.918) 7.141 9.699 ( 4.641 -2.454 5.489) 7.596 9.849 ( -1.548 -4.258 -5.623) 7.222 10.240 ( 2.013 -0.190 9.187) 9.407 10.554 ( 0.145 2.863 -7.571) 8.095 10.850 ( -0.978 0.000 6.305) 6.381 11.031 ( -3.163 -2.166 -1.230) 4.026 11.633 ( -6.310 4.265 -2.098) 7.900 11.727 ( -0.167 4.744 0.381) 4.762 11.888 ( 2.519 -3.018 0.614) 3.978 11.945 ( 2.857 -1.166 -0.165) 3.090 12.742 ( -2.236 1.670 1.504) 3.170 12.893 ( -3.955 0.795 -0.398) 4.054 12.992 ( 3.543 -1.205 -1.288) 3.958 13.063 ( 9.570 1.548 -6.362) 11.596 13.601 ( -1.332 -1.051 -0.910) 1.925 13.770 ( 5.306 1.189 -3.671) 6.561 13.969 ( -10.028 1.295 8.542) 13.236 14.026 ( -1.465 -0.105 7.944) 8.079 14.820 ( 2.587 0.249 -1.886) 3.211 14.953 ( 0.567 -1.528 -6.968) 7.156 15.091 ( -1.910 3.299 1.413) 4.066 15.141 ( -7.969 3.392 -0.718) 8.691 15.724 ( -3.012 8.068 1.651) 8.768 15.758 ( 2.745 7.498 -0.306) 7.990 15.891 ( -2.154 4.102 3.130) 5.591 15.936 ( -3.827 4.950 -0.625) 6.288 16.450 ( -2.865 -6.293 2.632) 7.398 16.663 ( 1.305 -4.957 -4.819) 7.036 16.773 ( -1.040 3.331 3.352) 4.839 16.918 ( 2.553 -3.520 -0.702) 4.405 16.949 ( 0.302 -1.894 -0.555) 1.997 17.060 ( 2.766 1.089 -0.530) 3.019 17.120 ( -0.573 -1.682 1.174) 2.130 17.264 ( 1.907 -0.093 -1.954) 2.732 20.049 ( -4.493 8.605 3.599) 10.353 20.197 ( -2.947 4.981 -3.500) 6.764 21.101 ( 1.792 -1.045 2.280) 3.083 21.287 ( 5.648 -1.082 -2.280) 6.186 22.750 ( -0.704 -5.523 6.037) 8.212 23.095 ( 3.895 -6.437 -6.262) 9.788 27.910 ( 0.964 0.184 4.715) 4.816 28.052 ( -0.041 2.093 -3.529) 4.103 29.652 ( -1.643 3.240 0.471) 3.663 29.756 ( 1.019 2.410 -2.422) 3.566 29.989 ( -3.536 1.972 1.189) 4.220 30.088 ( 1.554 0.799 0.715) 1.888 31.090 ( -1.712 0.368 1.482) 2.294 31.162 ( -1.906 1.101 -1.183) 2.499 31.277 ( -2.210 -5.468 -0.088) 5.898 31.413 ( 3.695 -9.286 0.658) 10.015 31.810 ( 1.016 -3.070 0.227) 3.242 31.848 ( 2.019 0.138 -0.497) 2.084 32.024 ( 0.613 2.186 4.233) 4.803 32.210 ( -1.344 -0.786 -5.028) 5.263 32.638 ( -4.267 1.860 -1.392) 4.859 32.707 ( 3.837 1.539 -0.858) 4.222 32.813 ( -7.300 1.698 5.950) 9.570 33.209 ( 7.128 2.851 -6.307) 9.935 34.444 ( 0.436 -4.075 -1.040) 4.229 34.506 ( 1.076 -8.549 -1.338) 8.720 34.704 ( -4.799 1.085 12.490) 13.424 35.177 ( 6.136 -0.517 -6.454) 8.920 36.156 ( -3.964 9.437 3.982) 10.982 36.437 ( 0.810 7.832 -6.269) 10.065 36.663 ( -12.232 4.615 5.228) 14.080 37.130 ( 11.054 6.471 -4.305) 13.513 ======================= Grid point 129 (59/95) ======================= q-point: (-0.22 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.631 -6.961 1.740) 7.643 1.850 ( -12.573 -4.684 11.847) 17.899 2.148 ( -0.252 -9.493 2.122) 9.730 2.159 ( -0.430 8.608 -2.396) 8.945 2.513 ( -8.194 -1.523 4.543) 9.492 2.752 ( -4.898 -5.405 -6.864) 10.016 2.772 ( 0.849 6.324 4.896) 8.042 2.969 ( 7.985 5.300 6.208) 11.419 3.096 ( -6.572 -2.113 -0.795) 6.949 3.266 ( -5.040 2.498 1.308) 5.775 3.308 ( -0.259 0.221 -2.930) 2.950 3.509 ( -1.632 -6.772 1.549) 7.136 3.630 ( 2.915 0.609 -4.838) 5.681 3.756 ( 2.095 -2.265 2.915) 4.244 3.966 ( 0.735 4.367 -2.318) 4.999 4.083 ( 0.209 -2.390 -9.226) 9.533 4.205 ( 10.699 -0.538 2.599) 11.023 4.230 ( 8.733 1.411 -5.954) 10.663 4.420 ( 2.364 -2.914 3.741) 5.299 4.463 ( -2.342 -2.434 5.230) 6.226 4.545 ( -0.974 -1.537 -1.550) 2.391 4.699 ( -0.995 10.399 -1.632) 10.573 4.796 ( -1.064 -2.471 -0.614) 2.760 4.896 ( -4.992 -2.846 4.108) 7.064 4.960 ( -0.255 0.431 -4.307) 4.336 5.061 ( -3.737 -3.624 -2.284) 5.685 5.254 ( -2.572 5.284 3.939) 7.075 5.318 ( -6.966 0.755 1.507) 7.167 5.476 ( -5.576 -3.601 -4.157) 7.832 5.700 ( 5.600 -2.291 -0.892) 6.116 5.820 ( -5.189 -2.863 -1.834) 6.204 5.940 ( 1.398 -1.966 -1.809) 3.016 6.050 ( 7.284 1.125 0.540) 7.390 6.240 ( 12.753 -7.369 -1.986) 14.862 7.333 ( 0.284 2.223 -1.291) 2.586 7.367 ( 0.554 -6.895 5.817) 9.038 7.572 ( 0.563 2.418 -5.359) 5.906 7.690 ( 0.975 -6.422 1.673) 6.708 7.914 ( -2.681 5.147 2.602) 6.360 8.037 ( 1.446 6.800 -1.114) 7.040 8.237 ( -2.724 -7.999 6.241) 10.505 8.417 ( 4.448 -6.240 2.456) 8.047 8.826 ( -2.689 8.579 0.988) 9.045 8.951 ( -1.183 3.210 -0.003) 3.421 9.008 ( 0.345 1.955 -3.204) 3.769 9.104 ( 3.947 4.628 -1.236) 6.206 9.170 ( 3.602 -1.199 2.357) 4.468 9.360 ( -1.241 2.754 -5.563) 6.330 9.786 ( 0.724 -2.519 2.367) 3.532 9.927 ( 3.717 -5.320 -0.836) 6.543 10.272 ( -0.803 0.641 4.959) 5.064 10.506 ( 1.752 1.024 -5.631) 5.986 10.867 ( -0.429 -0.753 5.129) 5.202 11.013 ( -4.071 -0.448 -1.096) 4.239 11.489 ( -5.102 5.205 -2.841) 7.823 11.644 ( -0.496 4.257 1.353) 4.494 11.961 ( 2.325 -1.758 -2.178) 3.639 11.988 ( 2.618 -1.229 2.037) 3.538 12.697 ( -1.044 2.121 -1.246) 2.673 12.823 ( -5.482 0.247 0.199) 5.491 13.061 ( 6.566 -1.194 -0.156) 6.676 13.128 ( 8.920 -0.110 -5.904) 10.697 13.606 ( -0.898 -1.114 -0.075) 1.433 13.777 ( 2.831 1.886 -0.449) 3.431 13.878 ( -10.291 0.373 8.380) 13.277 14.050 ( -0.129 -0.362 5.569) 5.582 14.801 ( -3.884 3.349 -2.723) 5.807 14.871 ( -9.693 3.464 -0.355) 10.300 14.977 ( -8.987 5.621 3.478) 11.156 15.074 ( 3.440 -2.045 -7.585) 8.576 15.570 ( -1.316 6.409 1.332) 6.677 15.675 ( 4.223 6.464 0.294) 7.727 15.789 ( -2.489 6.829 -2.606) 7.721 15.828 ( -1.535 3.639 3.544) 5.307 16.524 ( -4.364 -5.664 1.366) 7.279 16.702 ( 0.304 1.692 2.119) 2.728 16.754 ( 0.026 -2.519 -2.901) 3.842 16.978 ( 3.488 -0.206 -0.825) 3.591 17.003 ( 0.843 -3.143 0.459) 3.286 17.069 ( 3.931 1.404 -0.260) 4.183 17.148 ( -0.814 -2.459 -0.050) 2.590 17.270 ( 0.846 0.254 -1.426) 1.678 19.882 ( -5.561 5.978 3.615) 8.929 20.077 ( -2.066 4.704 -4.197) 6.634 21.157 ( 2.878 -1.759 1.961) 3.901 21.356 ( 5.177 -1.468 -2.136) 5.790 22.867 ( 0.847 -5.731 6.042) 8.370 23.208 ( 3.450 -4.823 -6.238) 8.607 27.927 ( 0.332 -0.066 3.612) 3.628 28.008 ( 0.817 2.649 -2.350) 3.634 29.604 ( -2.796 0.158 -0.202) 2.808 29.734 ( 0.619 0.448 -1.708) 1.871 29.899 ( -3.334 4.646 1.634) 5.947 30.071 ( 1.352 2.908 0.081) 3.208 31.071 ( -1.765 0.037 1.443) 2.280 31.119 ( -2.304 1.266 -0.667) 2.712 31.360 ( -1.650 -6.509 -0.172) 6.717 31.621 ( 4.428 -9.563 0.698) 10.562 31.804 ( -2.535 3.289 1.481) 4.408 31.875 ( 3.457 -0.495 0.560) 3.537 32.054 ( 2.352 -2.046 4.050) 5.111 32.186 ( -3.459 -0.943 -6.538) 7.456 32.575 ( -2.321 1.152 -1.839) 3.178 32.672 ( -1.912 2.946 -2.524) 4.325 32.745 ( -3.551 2.206 5.336) 6.779 33.196 ( 7.000 4.141 -6.466) 10.390 34.515 ( -1.875 -5.249 1.661) 5.817 34.661 ( -3.402 -2.904 5.673) 7.224 34.708 ( 3.151 -6.354 5.077) 8.723 35.251 ( 11.289 -0.750 -6.651) 13.124 35.963 ( -5.370 9.905 4.215) 12.030 36.246 ( -3.985 8.660 -7.669) 12.235 36.471 ( -13.116 5.391 3.753) 14.669 37.150 ( 12.997 4.222 -1.516) 13.749 ======================= Grid point 130 (60/95) ======================= q-point: (-0.11 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -2.883 6.640 5.588) 9.145 1.874 ( -4.782 -3.776 8.782) 10.689 2.138 ( 4.536 -1.198 -0.367) 4.706 2.231 ( -2.238 -0.750 -0.620) 2.441 2.373 ( -5.340 6.682 -1.771) 8.735 2.663 ( -8.919 5.815 -2.101) 10.852 2.728 ( -4.036 -0.974 11.173) 11.920 3.007 ( 2.820 0.895 0.822) 3.071 3.169 ( -4.085 2.703 6.701) 8.300 3.191 ( -2.143 -12.627 -3.599) 13.303 3.345 ( 4.244 -0.151 -2.039) 4.711 3.602 ( 1.532 1.420 -6.354) 6.688 3.636 ( -0.110 -7.171 3.176) 7.843 3.781 ( 1.257 1.392 2.610) 3.214 3.877 ( -1.086 3.116 -5.281) 6.227 4.128 ( 3.396 -1.768 -9.168) 9.935 4.265 ( 6.815 0.644 -3.291) 7.595 4.312 ( 12.891 4.603 0.254) 13.691 4.463 ( -1.272 3.160 -0.093) 3.407 4.514 ( 1.048 -2.921 3.227) 4.477 4.532 ( 4.448 3.164 6.538) 8.517 4.605 ( -2.144 -3.809 0.347) 4.384 4.781 ( -2.430 0.602 -0.222) 2.513 4.914 ( -3.715 -2.973 -0.600) 4.796 4.943 ( 0.301 1.152 -0.743) 1.403 5.082 ( -4.361 8.061 -1.815) 9.343 5.120 ( 2.859 -1.833 -1.420) 3.681 5.239 ( -10.482 -1.772 1.356) 10.717 5.513 ( -3.085 -5.004 -2.467) 6.375 5.715 ( -6.617 1.795 -1.269) 6.973 5.832 ( 2.175 -2.238 -0.096) 3.122 5.967 ( 2.793 -0.913 -4.006) 4.968 6.105 ( 4.491 -0.274 0.328) 4.511 6.456 ( 8.375 -5.711 -0.855) 10.173 7.319 ( 0.266 -0.367 -2.309) 2.353 7.472 ( 2.967 -2.470 0.007) 3.861 7.523 ( -2.603 0.672 0.057) 2.689 7.751 ( -2.036 0.777 -0.663) 2.278 7.805 ( -1.858 3.278 -0.484) 3.799 7.989 ( 2.444 0.330 2.866) 3.781 8.393 ( -1.651 -10.362 4.812) 11.543 8.576 ( 3.663 -5.991 2.170) 7.350 8.666 ( -2.807 8.125 4.645) 9.771 8.900 ( -0.225 3.085 -1.660) 3.510 8.966 ( 3.072 2.831 -1.206) 4.348 9.061 ( 1.634 2.919 -0.380) 3.366 9.215 ( 1.328 -0.802 -0.007) 1.551 9.334 ( -1.677 -2.717 -0.274) 3.205 9.824 ( -0.904 -2.206 -0.261) 2.398 10.056 ( 3.780 -4.742 1.273) 6.196 10.216 ( -4.763 3.180 -0.230) 5.732 10.519 ( 2.247 -0.761 -2.148) 3.200 10.892 ( 0.886 0.011 3.210) 3.330 10.977 ( -3.461 -0.371 -0.177) 3.485 11.366 ( -1.680 3.956 -3.000) 5.241 11.595 ( 1.867 2.890 1.559) 3.777 11.984 ( 0.544 -0.844 -2.501) 2.695 12.027 ( 0.130 -0.449 1.905) 1.961 12.651 ( -0.709 1.139 -2.239) 2.610 12.813 ( -1.853 -2.501 0.955) 3.257 13.134 ( 3.404 -1.520 0.125) 3.730 13.197 ( 7.942 -0.429 -4.765) 9.272 13.617 ( 0.084 -0.355 0.796) 0.876 13.761 ( 1.341 2.239 1.439) 2.980 13.814 ( -8.547 -0.538 7.485) 11.374 14.048 ( -2.450 0.685 3.046) 3.969 14.618 ( -10.198 5.668 -0.303) 11.672 14.699 ( -7.829 5.569 -0.226) 9.611 14.885 ( -3.354 1.085 3.288) 4.820 15.138 ( 4.381 -3.126 -7.819) 9.493 15.519 ( 2.841 1.715 0.830) 3.420 15.612 ( 1.562 4.973 -1.364) 5.388 15.660 ( 2.951 6.227 -1.026) 6.967 15.782 ( 0.381 2.451 2.671) 3.645 16.560 ( -4.724 -3.316 1.440) 5.948 16.686 ( 1.099 1.378 4.416) 4.755 16.783 ( -0.891 -2.241 -5.380) 5.895 17.002 ( 3.595 1.464 0.212) 3.887 17.034 ( -1.599 -1.314 -0.060) 2.070 17.089 ( 4.980 1.190 -1.266) 5.274 17.183 ( 0.083 -1.601 -0.312) 1.633 17.268 ( -0.401 -0.107 -0.556) 0.694 19.779 ( -3.025 2.612 2.849) 4.908 19.989 ( 0.103 3.048 -4.114) 5.121 21.214 ( 1.087 -1.936 2.064) 3.031 21.412 ( 2.362 -1.506 -2.183) 3.551 22.971 ( 0.448 -3.428 5.480) 6.479 23.277 ( 2.183 -2.207 -5.866) 6.637 27.933 ( -0.273 1.317 2.663) 2.984 27.980 ( 0.705 -0.247 -1.455) 1.636 29.587 ( -2.718 -1.314 -0.786) 3.119 29.735 ( 0.148 -0.029 -1.558) 1.565 29.811 ( -0.927 3.491 3.041) 4.722 30.031 ( 1.417 2.674 -0.429) 3.057 31.069 ( -1.194 1.375 1.992) 2.699 31.074 ( -1.266 -0.442 -0.821) 1.572 31.459 ( -0.606 -6.665 0.035) 6.693 31.695 ( -5.142 2.911 0.882) 5.974 31.806 ( 4.729 -3.342 2.372) 6.258 31.896 ( 2.773 1.809 0.076) 3.312 32.108 ( -1.974 -1.051 -0.783) 2.369 32.161 ( -1.026 -2.475 -1.946) 3.312 32.537 ( -0.451 1.516 -2.384) 2.861 32.592 ( -3.118 2.148 -1.726) 4.161 32.701 ( -0.096 1.865 2.258) 2.930 33.175 ( 5.870 3.270 -6.533) 9.372 34.578 ( -5.367 -3.644 5.890) 8.763 34.655 ( -0.698 0.143 8.373) 8.403 34.893 ( 4.061 -6.096 0.077) 7.325 35.375 ( 13.435 -2.770 -6.808) 15.314 35.765 ( -5.853 6.875 1.917) 9.230 36.093 ( -5.686 1.287 -5.473) 7.997 36.272 ( -9.517 6.033 2.981) 11.656 37.212 ( 8.982 0.739 -0.446) 9.024 ======================= Grid point 137 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -11.733 0.000 9.671) 15.205 1.555 ( 0.951 -0.000 18.749) 18.773 2.062 ( -4.781 0.000 4.474) 6.548 2.076 ( -5.379 0.000 0.721) 5.427 2.611 ( -0.313 0.000 -7.022) 7.029 2.759 ( -0.281 0.000 0.029) 0.282 2.848 ( 1.617 -0.000 -2.788) 3.223 3.069 ( -2.675 0.000 9.093) 9.478 3.146 ( 4.252 -0.000 -12.652) 13.348 3.429 ( -3.889 0.000 -0.112) 3.891 3.468 ( 1.252 -0.000 -8.065) 8.162 3.484 ( -6.599 0.000 1.928) 6.874 3.568 ( 4.282 -0.000 1.057) 4.410 3.678 ( -1.878 0.000 11.559) 11.711 3.709 ( -1.531 0.000 -7.699) 7.850 3.935 ( 9.757 -0.000 8.875) 13.190 4.082 ( 0.954 -0.000 -3.195) 3.334 4.326 ( 6.590 -0.000 -7.823) 10.229 4.376 ( -1.962 0.000 5.661) 5.992 4.511 ( 2.872 -0.000 -3.322) 4.392 4.575 ( -6.504 0.000 -2.425) 6.942 4.715 ( -6.238 0.000 -11.421) 13.014 4.817 ( -9.751 0.000 7.284) 12.171 4.851 ( 1.326 -0.000 2.171) 2.544 4.942 ( -1.384 0.000 -7.200) 7.332 5.240 ( 7.612 -0.000 -3.054) 8.202 5.316 ( 2.342 -0.000 5.895) 6.343 5.344 ( -6.594 0.000 6.686) 9.390 5.648 ( -1.370 0.000 3.317) 3.588 5.656 ( -0.434 0.000 0.378) 0.575 5.756 ( 2.119 -0.000 -2.483) 3.265 5.812 ( 4.930 -0.000 -8.617) 9.928 5.848 ( 3.475 -0.000 0.477) 3.507 5.868 ( 0.137 -0.000 0.924) 0.934 7.010 ( 3.539 -0.000 12.927) 13.402 7.436 ( 1.424 -0.000 -4.332) 4.560 7.600 ( 0.398 -0.000 2.879) 2.906 7.772 ( 0.399 -0.000 -2.373) 2.406 7.773 ( -2.685 0.000 0.706) 2.776 7.890 ( 0.234 -0.000 2.701) 2.712 8.299 ( -1.598 0.000 3.095) 3.484 8.471 ( 0.999 -0.000 -2.780) 2.954 8.946 ( 0.599 -0.000 2.796) 2.859 9.105 ( -0.453 0.000 -5.705) 5.723 9.152 ( -8.224 0.000 -1.821) 8.423 9.160 ( 0.531 -0.000 -0.677) 0.860 9.343 ( 8.701 -0.000 -1.249) 8.790 9.379 ( 1.199 -0.000 -3.694) 3.884 9.682 ( 5.150 -0.000 1.935) 5.502 9.758 ( 0.931 -0.000 -5.106) 5.190 10.245 ( 1.158 -0.000 11.465) 11.523 10.623 ( 0.859 -0.000 -8.069) 8.114 10.870 ( -1.456 0.000 3.938) 4.198 10.950 ( -4.028 0.000 1.071) 4.168 11.697 ( -8.425 0.000 -2.505) 8.789 11.799 ( -7.755 0.000 1.964) 8.000 11.840 ( 8.530 -0.000 -1.546) 8.669 11.925 ( 4.576 -0.000 1.045) 4.694 12.782 ( -1.092 0.000 2.209) 2.464 12.927 ( 1.997 -0.000 -0.984) 2.227 12.945 ( 2.040 -0.000 0.191) 2.049 13.106 ( 5.205 -0.000 -6.410) 8.257 13.583 ( 0.611 -0.000 -2.495) 2.569 13.793 ( 7.237 -0.000 -8.020) 10.803 13.997 ( -5.077 0.000 12.448) 13.444 14.025 ( -9.628 0.000 6.033) 11.362 14.829 ( 3.579 -0.000 -1.716) 3.969 14.915 ( 1.951 -0.000 -7.380) 7.634 15.165 ( -3.206 0.000 2.539) 4.089 15.188 ( -6.977 0.000 0.000) 6.977 15.880 ( -0.368 0.000 2.269) 2.298 15.917 ( 2.288 -0.000 -1.926) 2.991 15.970 ( -6.977 0.000 2.170) 7.307 16.011 ( -4.942 0.000 3.273) 5.927 16.318 ( -2.125 0.000 2.549) 3.319 16.545 ( 2.225 -0.000 -4.611) 5.120 16.847 ( 2.072 -0.000 -1.659) 2.654 16.866 ( -3.607 0.000 2.381) 4.322 16.873 ( 1.467 -0.000 -1.248) 1.926 17.081 ( 3.182 -0.000 -1.632) 3.576 17.098 ( 0.710 -0.000 3.642) 3.711 17.256 ( 2.156 -0.000 -2.105) 3.013 20.262 ( -2.828 0.000 3.241) 4.302 20.265 ( -6.958 0.000 -2.650) 7.445 21.099 ( 2.706 -0.000 2.161) 3.463 21.275 ( 6.375 -0.000 -1.089) 6.467 22.647 ( -0.633 0.000 4.450) 4.495 22.951 ( 4.804 -0.000 -5.605) 7.382 27.921 ( 2.486 -0.000 6.525) 6.983 28.084 ( -0.913 0.000 -4.831) 4.916 29.806 ( -1.749 0.000 -3.971) 4.339 29.832 ( 3.519 -0.000 -0.860) 3.623 29.961 ( -3.315 0.000 3.129) 4.558 30.050 ( -0.227 0.000 2.586) 2.596 31.074 ( -0.816 0.000 2.168) 2.316 31.182 ( -3.270 0.000 -1.566) 3.626 31.190 ( 0.563 -0.000 -2.386) 2.452 31.247 ( -1.113 0.000 0.702) 1.316 31.746 ( 1.895 -0.000 1.714) 2.555 31.829 ( 4.937 -0.000 -2.069) 5.353 32.092 ( -0.832 0.000 2.715) 2.840 32.210 ( -0.536 0.000 -2.513) 2.569 32.670 ( -7.080 0.000 -2.893) 7.648 32.716 ( 4.613 -0.000 1.335) 4.802 32.843 ( -8.599 0.000 5.320) 10.112 33.256 ( 8.539 -0.000 -5.891) 10.374 34.332 ( 0.438 -0.000 0.608) 0.749 34.402 ( 1.699 -0.000 -4.391) 4.708 34.719 ( -4.849 0.000 12.612) 13.512 35.161 ( 4.471 -0.000 -6.087) 7.552 36.332 ( -7.517 0.000 1.365) 7.640 36.584 ( 7.089 -0.000 2.546) 7.533 36.758 ( -10.682 0.000 0.905) 10.721 37.265 ( 8.138 -0.000 -6.214) 10.239 ======================= Grid point 138 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -11.635 -14.809 6.404) 19.892 1.651 ( -7.833 -5.789 24.232) 26.116 1.951 ( -2.970 1.212 -2.976) 4.375 2.173 ( -4.686 -10.734 3.003) 12.091 2.516 ( -6.251 6.185 -6.094) 10.699 2.718 ( -2.131 3.758 -3.518) 5.571 2.875 ( 5.476 -0.345 0.994) 5.576 3.071 ( -1.582 0.503 9.093) 9.243 3.174 ( 2.395 -3.299 -7.350) 8.404 3.370 ( -6.016 7.368 -0.985) 9.563 3.406 ( -1.954 -0.878 -2.695) 3.443 3.470 ( -5.652 3.248 2.236) 6.892 3.526 ( 1.892 1.306 -6.317) 6.723 3.664 ( 6.213 -2.173 2.898) 7.192 3.817 ( 0.188 -7.085 2.905) 7.660 4.066 ( 6.555 -2.866 3.315) 7.885 4.089 ( -0.380 -2.118 -4.982) 5.427 4.316 ( -3.179 0.199 -3.753) 4.922 4.381 ( -3.113 -2.842 3.448) 5.446 4.492 ( 3.839 4.654 -7.397) 9.545 4.525 ( -3.052 -0.032 1.974) 3.635 4.677 ( -0.226 -2.366 -9.109) 9.414 4.759 ( -7.444 -2.125 4.085) 8.753 4.859 ( -4.366 -0.697 5.885) 7.361 4.931 ( 0.963 -1.025 -5.440) 5.619 5.139 ( -7.456 7.162 -4.360) 11.220 5.309 ( -4.358 2.423 5.916) 7.737 5.368 ( 7.879 1.127 2.814) 8.442 5.618 ( -1.950 5.739 -1.573) 6.262 5.665 ( 6.379 -0.508 2.482) 6.864 5.741 ( -2.268 -1.168 -2.752) 3.752 5.811 ( 0.919 -1.424 -2.468) 2.994 5.961 ( 3.336 -7.030 -0.124) 7.783 6.011 ( 11.411 -7.337 -1.659) 13.668 7.137 ( 5.275 -4.740 12.303) 14.200 7.448 ( 0.847 -0.135 -7.463) 7.512 7.553 ( 1.480 3.401 6.230) 7.250 7.719 ( 2.704 5.141 -4.631) 7.429 7.844 ( -2.381 -7.587 3.192) 8.568 7.966 ( 0.717 -4.711 5.133) 7.004 8.282 ( -0.586 1.129 2.057) 2.418 8.416 ( 0.446 5.351 -2.260) 5.826 8.960 ( -1.571 -1.377 0.977) 2.306 9.041 ( -4.290 3.072 -6.013) 7.999 9.065 ( -3.622 2.286 0.534) 4.316 9.157 ( 2.510 1.396 -2.143) 3.583 9.332 ( 4.504 4.911 -1.455) 6.821 9.437 ( 5.623 0.158 -2.898) 6.328 9.752 ( 6.739 0.059 2.542) 7.203 9.787 ( 4.084 -2.515 -3.359) 5.855 10.284 ( 0.824 0.208 9.633) 9.670 10.584 ( 0.795 2.526 -8.177) 8.595 10.856 ( -2.217 0.507 4.861) 5.367 10.942 ( -4.962 -3.232 0.325) 5.930 11.591 ( -9.504 1.106 -3.264) 10.109 11.726 ( -7.915 0.450 2.358) 8.271 11.915 ( 7.643 -0.260 -1.309) 7.759 11.973 ( 4.357 -0.049 0.890) 4.447 12.776 ( 1.941 1.875 0.792) 2.813 12.898 ( -1.274 3.285 -1.517) 3.836 13.001 ( 4.200 -2.354 -0.208) 4.820 13.144 ( 7.571 0.182 -4.870) 9.004 13.581 ( 0.431 -0.025 -3.277) 3.305 13.825 ( 4.652 0.678 -5.081) 6.922 13.928 ( -9.126 2.272 8.194) 12.474 14.010 ( -3.144 -1.820 8.727) 9.453 14.852 ( 2.837 0.750 -1.372) 3.239 14.911 ( -1.551 -0.754 -6.095) 6.334 15.086 ( -7.761 2.334 -1.130) 8.183 15.112 ( -7.750 1.286 2.369) 8.205 15.797 ( -8.256 5.615 3.538) 10.592 15.872 ( -4.320 2.473 -1.085) 5.095 15.908 ( -2.162 3.434 2.404) 4.717 15.958 ( -3.070 2.492 0.703) 4.016 16.348 ( -0.978 -4.052 1.851) 4.561 16.588 ( 2.388 -3.612 -5.320) 6.860 16.819 ( -0.930 2.360 1.868) 3.150 16.891 ( 2.287 -2.362 1.031) 3.445 16.915 ( 1.802 -2.816 -2.150) 3.975 17.108 ( 3.857 0.565 -0.133) 3.901 17.111 ( 0.067 0.164 2.408) 2.414 17.269 ( 1.327 -0.212 -2.060) 2.460 20.121 ( -9.368 6.405 1.965) 11.518 20.201 ( -7.047 2.094 -0.991) 7.418 21.151 ( 7.493 0.583 1.362) 7.638 21.340 ( 7.633 0.025 -0.988) 7.697 22.692 ( 1.412 -3.438 4.598) 5.912 23.027 ( 5.630 -4.528 -5.930) 9.347 27.958 ( 2.692 1.435 7.333) 7.942 28.066 ( 1.113 0.380 -4.767) 4.910 29.708 ( -2.665 5.767 -2.259) 6.743 29.813 ( 0.786 3.946 -1.366) 4.249 29.975 ( -1.617 -1.496 1.544) 2.690 30.072 ( -2.062 -2.405 2.429) 3.992 31.074 ( -2.358 -0.168 1.388) 2.742 31.144 ( -2.649 0.544 -1.973) 3.347 31.210 ( 0.817 -2.307 -2.060) 3.198 31.290 ( -0.672 -7.409 2.116) 7.734 31.787 ( 2.397 -1.409 1.713) 3.266 31.888 ( 6.887 -0.234 -2.301) 7.265 32.069 ( -1.129 2.015 3.080) 3.849 32.191 ( -0.875 0.624 -2.909) 3.101 32.590 ( -7.145 -0.084 -2.597) 7.603 32.735 ( -3.281 0.743 -2.095) 3.963 32.781 ( -4.448 0.190 7.932) 9.096 33.301 ( 7.737 1.770 -7.566) 10.966 34.377 ( 0.867 -3.831 -0.201) 3.933 34.421 ( 1.070 -2.687 -3.562) 4.588 34.719 ( -2.610 0.408 14.270) 14.513 35.207 ( 7.334 -1.179 -6.056) 9.584 36.219 ( -8.609 4.116 1.185) 9.616 36.561 ( -6.554 6.117 10.064) 13.478 36.650 ( -1.482 5.116 -8.374) 9.925 37.306 ( 10.681 3.150 -4.095) 11.864 ======================= Grid point 139 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -5.881 -20.791 2.644) 21.768 1.689 ( -14.014 -4.596 21.838) 26.351 2.001 ( -0.141 -6.988 -0.925) 7.050 2.253 ( -19.458 3.237 2.326) 19.862 2.349 ( 0.991 -6.601 -2.715) 7.206 2.616 ( -3.698 1.476 -5.646) 6.909 2.906 ( 3.696 4.509 2.565) 6.369 3.058 ( -4.127 2.797 5.895) 7.721 3.178 ( -0.200 7.591 -0.182) 7.596 3.247 ( 2.166 -3.453 -7.345) 8.400 3.277 ( -10.220 6.470 4.960) 13.073 3.419 ( 0.417 -3.162 -1.508) 3.528 3.594 ( 2.423 -4.529 -4.722) 6.978 3.779 ( 5.963 -2.488 2.671) 6.991 3.954 ( 2.753 -6.331 1.375) 7.039 4.041 ( -3.722 1.749 -8.350) 9.308 4.223 ( 5.102 -6.379 3.609) 8.931 4.318 ( 2.847 0.467 -2.104) 3.571 4.354 ( -8.527 -1.096 -4.455) 9.683 4.438 ( 1.717 -1.859 4.250) 4.946 4.525 ( -1.553 0.300 0.282) 1.606 4.731 ( 3.253 -3.915 -7.111) 8.745 4.763 ( -4.940 -2.532 3.146) 6.381 4.843 ( -5.647 -1.311 6.114) 8.425 4.919 ( -3.056 2.253 -3.184) 4.955 4.953 ( -3.502 3.420 -5.075) 7.051 5.274 ( -3.744 -2.756 3.130) 5.605 5.403 ( 7.894 4.746 0.780) 9.244 5.460 ( -2.645 9.011 -2.922) 9.835 5.704 ( -5.441 -1.106 -1.874) 5.860 5.746 ( 5.214 -1.802 -0.038) 5.517 5.891 ( 3.456 -4.100 -0.809) 5.423 6.104 ( 5.937 -3.689 -1.548) 7.160 6.254 ( 14.545 -6.624 -0.933) 16.009 7.291 ( 2.300 -4.773 8.288) 9.837 7.384 ( 0.154 4.045 -4.936) 6.383 7.615 ( 1.829 -4.473 4.228) 6.421 7.651 ( 4.544 4.947 -4.706) 8.201 7.926 ( -3.553 -2.356 2.167) 4.783 8.048 ( -0.493 -3.230 7.192) 7.899 8.252 ( 1.163 4.776 3.979) 6.324 8.385 ( 4.260 -2.435 0.035) 4.907 8.901 ( -4.533 4.607 -2.471) 6.919 8.984 ( -3.834 3.120 1.917) 5.302 8.994 ( 0.160 -1.424 -4.677) 4.891 9.151 ( 1.524 1.408 -2.405) 3.177 9.286 ( 5.030 5.154 0.483) 7.218 9.430 ( 4.967 5.211 -3.052) 7.819 9.790 ( 3.399 0.114 -1.795) 3.846 9.911 ( 8.275 -3.623 3.129) 9.560 10.300 ( -0.548 1.282 5.164) 5.348 10.531 ( 1.494 1.847 -5.844) 6.309 10.846 ( -3.051 -1.145 3.333) 4.661 10.952 ( -3.614 -2.253 1.228) 4.432 11.470 ( -8.673 1.606 -3.692) 9.562 11.656 ( -5.987 0.560 2.324) 6.446 11.976 ( 4.610 0.068 -2.272) 5.140 12.013 ( 3.928 0.051 1.721) 4.288 12.751 ( 2.018 4.134 -2.668) 5.318 12.818 ( -0.730 2.723 0.790) 2.928 13.081 ( 4.330 -2.107 -0.452) 4.837 13.207 ( 8.794 0.356 -4.927) 10.087 13.581 ( 0.154 -0.922 -1.810) 2.037 13.811 ( -6.493 0.722 3.858) 7.587 13.849 ( -0.108 2.771 4.815) 5.557 14.041 ( -1.404 -1.430 4.089) 4.554 14.792 ( -11.581 4.038 -1.935) 12.416 14.849 ( -2.992 2.249 -1.873) 4.185 14.988 ( -7.690 3.659 4.173) 9.483 15.042 ( 0.434 -1.620 -5.676) 5.919 15.619 ( -8.922 5.037 2.091) 10.457 15.764 ( -5.281 3.849 -1.264) 6.656 15.837 ( -7.031 0.990 4.246) 8.273 15.871 ( 0.543 6.136 -1.060) 6.251 16.416 ( -0.999 -4.093 1.276) 4.402 16.655 ( 1.142 -3.668 -5.279) 6.529 16.784 ( 0.679 2.231 2.080) 3.125 16.947 ( -0.897 -2.915 1.437) 3.371 16.998 ( 5.124 -3.023 -1.354) 6.102 17.112 ( -0.795 -0.533 0.328) 1.012 17.134 ( 4.537 1.175 1.164) 4.829 17.271 ( 0.110 0.085 -1.703) 1.708 19.920 ( -10.068 6.174 3.693) 12.375 20.090 ( -5.660 2.556 -3.477) 7.118 21.214 ( 7.766 1.388 1.614) 8.053 21.402 ( 6.731 0.561 -1.607) 6.943 22.808 ( 3.424 -5.482 5.117) 8.244 23.146 ( 5.257 -5.104 -6.321) 9.677 27.963 ( 1.329 2.160 5.006) 5.611 28.055 ( 2.083 2.083 -2.048) 3.587 29.589 ( -4.505 2.909 -1.727) 5.634 29.750 ( -0.782 2.402 -1.375) 2.876 29.946 ( -2.276 3.017 1.826) 4.197 30.088 ( -1.713 -0.741 1.059) 2.146 31.049 ( -2.748 -0.189 0.562) 2.811 31.104 ( -2.877 0.533 -0.815) 3.038 31.270 ( 1.416 -4.244 -1.457) 4.705 31.484 ( 3.457 -11.617 2.362) 12.348 31.819 ( -0.179 0.440 1.025) 1.130 31.927 ( 4.935 1.571 0.312) 5.189 32.066 ( 2.311 -1.032 2.075) 3.273 32.154 ( -1.253 1.489 -3.990) 4.439 32.535 ( -4.763 -1.056 -2.075) 5.301 32.647 ( -8.181 1.037 -0.588) 8.268 32.768 ( -2.040 1.405 4.235) 4.906 33.297 ( 5.496 3.215 -9.273) 11.249 34.428 ( -1.466 -3.383 -1.312) 3.913 34.531 ( 2.395 -8.329 -0.977) 8.721 34.741 ( 0.337 0.649 15.256) 15.274 35.307 ( 10.448 -2.594 -5.907) 12.279 36.053 ( -8.685 6.533 2.597) 11.174 36.356 ( -8.710 11.373 5.201) 15.240 36.485 ( -4.438 7.726 -6.863) 11.247 37.340 ( 11.386 4.797 -1.850) 12.493 ======================= Grid point 140 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -10.509 -4.066 14.821) 18.618 1.748 ( -4.974 -9.327 4.367) 11.437 2.019 ( -8.468 -7.727 0.734) 11.487 2.181 ( -5.168 -7.311 3.922) 9.775 2.365 ( -3.125 3.377 -5.781) 7.389 2.621 ( -3.403 -0.480 -4.144) 5.383 2.823 ( -1.310 2.535 4.759) 5.548 2.952 ( -5.692 0.348 4.123) 7.037 3.090 ( 1.003 4.240 1.831) 4.726 3.201 ( -1.569 -0.704 3.931) 4.291 3.286 ( -1.553 -3.839 -7.905) 8.924 3.517 ( 1.859 -5.759 0.039) 6.052 3.654 ( 3.312 -0.140 -0.965) 3.453 3.835 ( 1.391 1.783 -2.305) 3.229 3.912 ( -1.334 2.990 -4.288) 5.395 4.103 ( 4.158 -4.538 -0.953) 6.228 4.266 ( -3.540 -1.272 -1.667) 4.115 4.389 ( -1.226 -1.853 -4.181) 4.735 4.404 ( 2.487 -7.815 4.249) 9.237 4.472 ( -2.749 -2.628 -1.151) 3.974 4.546 ( 1.703 -1.790 5.161) 5.722 4.683 ( -0.394 4.973 -0.857) 5.062 4.773 ( -3.393 1.176 6.365) 7.308 4.852 ( -0.173 -3.403 -5.350) 6.342 4.870 ( -4.143 -4.344 -0.712) 6.045 4.959 ( -0.690 -4.290 -1.105) 4.484 5.208 ( -1.878 11.479 1.618) 11.743 5.359 ( 2.608 0.386 -2.408) 3.570 5.406 ( 5.841 1.070 -2.191) 6.330 5.659 ( -6.266 -0.633 -3.719) 7.314 5.831 ( 3.719 -2.822 0.394) 4.685 5.966 ( 3.752 -0.529 -0.572) 3.832 6.166 ( 5.358 1.587 -2.931) 6.310 6.465 ( 10.122 -3.948 -0.252) 10.867 7.322 ( 0.227 1.630 -3.999) 4.324 7.390 ( -0.925 -4.366 5.195) 6.849 7.598 ( 4.255 3.555 -7.104) 9.012 7.713 ( 0.703 -2.295 4.558) 5.152 7.864 ( -3.708 4.354 0.779) 5.772 8.073 ( 2.919 3.471 -0.054) 4.535 8.271 ( 0.431 -4.459 11.688) 12.517 8.521 ( 4.834 -6.121 2.190) 8.101 8.765 ( -3.458 6.283 -0.091) 7.172 8.918 ( -3.397 1.313 1.763) 4.046 9.003 ( 0.916 -0.183 -3.405) 3.531 9.093 ( -3.305 3.381 -3.214) 5.717 9.273 ( 4.047 2.859 1.676) 5.231 9.376 ( 6.277 5.592 -1.159) 8.486 9.816 ( 3.458 -0.043 -1.293) 3.692 10.048 ( 6.657 -2.777 2.585) 7.662 10.243 ( -2.801 4.261 -0.572) 5.131 10.525 ( 1.889 -0.181 -2.125) 2.849 10.866 ( -1.521 -3.161 0.985) 3.644 10.948 ( -2.692 -0.170 2.666) 3.792 11.364 ( -5.994 1.081 -3.454) 7.002 11.612 ( -3.871 -0.115 2.026) 4.371 11.988 ( 1.848 0.840 -2.456) 3.187 12.045 ( 2.269 0.741 1.531) 2.836 12.681 ( 0.835 3.172 -2.480) 4.112 12.811 ( 3.369 1.182 0.734) 3.645 13.141 ( 2.735 -1.191 -0.817) 3.093 13.262 ( 7.097 0.796 -4.160) 8.265 13.603 ( -0.086 -1.535 0.193) 1.549 13.753 ( -6.962 -0.421 6.996) 9.878 13.819 ( 0.369 3.160 3.077) 4.426 14.038 ( -2.792 0.254 1.776) 3.319 14.587 ( -12.124 4.145 -0.327) 12.817 14.721 ( -7.309 4.791 -0.418) 8.749 14.899 ( -2.291 2.477 3.830) 5.104 15.101 ( 4.024 -3.710 -6.626) 8.594 15.516 ( -5.103 -0.238 -0.281) 5.116 15.654 ( -5.324 2.522 -0.945) 5.967 15.757 ( -2.474 4.675 1.109) 5.404 15.782 ( -5.736 0.508 1.778) 6.027 16.467 ( -1.826 -3.338 1.308) 4.023 16.696 ( -0.131 -2.187 -1.842) 2.862 16.772 ( 2.488 1.462 -0.326) 2.904 16.978 ( -2.253 -2.299 0.363) 3.239 17.059 ( 2.998 0.687 0.449) 3.108 17.127 ( 0.454 -1.358 -2.336) 2.740 17.169 ( 3.906 -0.341 2.135) 4.465 17.262 ( -0.632 0.228 -1.357) 1.514 19.782 ( -6.161 2.013 3.008) 7.145 20.001 ( -3.275 1.508 -3.923) 5.328 21.253 ( 5.275 1.995 2.228) 6.064 21.433 ( 3.898 1.168 -2.339) 4.694 22.941 ( 3.272 -4.034 5.189) 7.342 23.243 ( 4.002 -3.167 -6.126) 7.973 27.951 ( -0.217 1.260 4.018) 4.216 28.018 ( 1.153 3.241 -1.714) 3.843 29.530 ( -3.993 -1.146 -1.030) 4.280 29.721 ( -0.498 -0.209 -1.764) 1.844 29.871 ( -1.970 3.652 2.899) 5.061 30.068 ( -1.390 1.403 0.005) 1.975 31.046 ( -0.875 -1.452 0.112) 1.699 31.068 ( -2.844 0.532 0.459) 2.929 31.366 ( 2.322 -5.390 -0.721) 5.913 31.657 ( -1.412 -3.351 0.793) 3.722 31.818 ( 3.280 -1.489 3.200) 4.818 31.949 ( 3.231 1.250 1.319) 3.707 32.093 ( -2.113 2.041 -5.259) 6.024 32.140 ( 5.323 -2.115 1.392) 5.894 32.517 ( -2.553 -1.355 -2.300) 3.694 32.566 ( -5.422 0.105 -0.565) 5.452 32.718 ( -3.667 1.724 1.824) 4.444 33.251 ( 2.485 3.389 -9.153) 10.072 34.471 ( -3.177 -4.468 1.822) 5.777 34.667 ( 0.986 -3.206 4.100) 5.297 34.827 ( 4.173 -5.513 9.040) 11.381 35.433 ( 9.572 -1.850 -6.022) 11.459 35.849 ( -8.701 8.778 3.340) 12.803 36.111 ( -3.972 8.994 -0.882) 9.872 36.308 ( -5.080 5.684 -2.651) 8.071 37.337 ( 6.502 5.439 -0.639) 8.501 ======================= Grid point 147 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -13.949 0.000 10.139) 17.244 1.589 ( -13.209 0.000 31.257) 33.934 1.941 ( -7.880 0.000 -3.913) 8.799 1.992 ( -3.950 0.000 -0.503) 3.982 2.446 ( -14.773 0.000 -8.203) 16.898 2.789 ( 2.711 -0.000 0.957) 2.875 2.895 ( 3.697 -0.000 1.045) 3.842 3.109 ( 0.499 -0.000 11.628) 11.639 3.132 ( 0.052 -0.000 -6.569) 6.569 3.328 ( -6.695 0.000 -3.162) 7.404 3.419 ( -4.827 0.000 -1.323) 5.006 3.420 ( -1.223 0.000 3.065) 3.300 3.575 ( 0.867 -0.000 -16.736) 16.758 3.712 ( 5.566 -0.000 2.648) 6.164 3.769 ( 4.601 -0.000 9.541) 10.592 4.012 ( -5.673 0.000 -11.510) 12.832 4.116 ( 5.364 -0.000 2.767) 6.035 4.200 ( -12.027 0.000 -4.040) 12.688 4.300 ( -4.277 0.000 -0.032) 4.277 4.517 ( -2.478 0.000 9.115) 9.446 4.593 ( 6.060 -0.000 -6.597) 8.958 4.649 ( 5.071 -0.000 -8.529) 9.922 4.686 ( -6.499 0.000 3.888) 7.573 4.827 ( -5.723 0.000 6.657) 8.779 4.920 ( 3.441 -0.000 -8.452) 9.126 5.097 ( -11.999 0.000 -3.504) 12.500 5.337 ( -3.537 0.000 5.118) 6.222 5.479 ( 11.154 -0.000 1.762) 11.292 5.636 ( -2.123 0.000 -2.248) 3.092 5.644 ( -1.421 0.000 4.515) 4.733 5.775 ( -4.458 0.000 -3.780) 5.845 5.795 ( 3.727 -0.000 -3.684) 5.241 5.963 ( 9.556 -0.000 0.201) 9.558 6.027 ( 15.534 -0.000 -0.769) 15.553 7.206 ( 8.048 -0.000 12.919) 15.221 7.428 ( 1.189 -0.000 -8.602) 8.683 7.635 ( 0.643 -0.000 4.349) 4.396 7.759 ( -1.034 0.000 6.103) 6.190 7.795 ( 2.242 -0.000 1.990) 2.997 7.940 ( 2.608 -0.000 2.706) 3.758 8.292 ( 0.200 -0.000 1.576) 1.589 8.456 ( 0.345 -0.000 -3.050) 3.069 8.923 ( -4.170 0.000 1.152) 4.326 8.993 ( -6.203 0.000 -2.885) 6.841 9.066 ( -0.595 0.000 -3.946) 3.991 9.176 ( 1.308 -0.000 -4.121) 4.323 9.406 ( 3.463 -0.000 1.593) 3.812 9.520 ( 10.446 -0.000 -2.516) 10.745 9.794 ( 5.160 -0.000 -4.146) 6.619 9.850 ( 9.738 -0.000 3.671) 10.407 10.313 ( -0.835 0.000 8.900) 8.939 10.588 ( 0.189 -0.000 -8.715) 8.717 10.848 ( -6.243 0.000 1.373) 6.392 10.865 ( -1.353 0.000 4.172) 4.386 11.488 ( -11.212 0.000 -3.508) 11.748 11.652 ( -8.948 0.000 2.932) 9.416 11.979 ( 7.045 -0.000 -1.941) 7.308 12.024 ( 5.332 -0.000 1.094) 5.443 12.828 ( 4.616 -0.000 0.387) 4.632 12.947 ( 1.248 -0.000 -3.987) 4.178 12.991 ( 2.703 -0.000 0.090) 2.704 13.198 ( 6.606 -0.000 -1.351) 6.743 13.581 ( 1.433 -0.000 -5.392) 5.579 13.824 ( -4.627 0.000 1.077) 4.751 13.930 ( 2.012 -0.000 -4.355) 4.798 13.983 ( -4.026 0.000 14.670) 15.212 14.851 ( -7.263 0.000 -5.030) 8.834 14.878 ( 0.720 -0.000 -0.578) 0.923 15.036 ( -4.989 0.000 -2.137) 5.428 15.046 ( -9.180 0.000 3.407) 9.792 15.765 ( -11.551 0.000 -0.809) 11.579 15.775 ( -14.631 0.000 7.243) 16.325 15.883 ( -10.211 0.000 4.033) 10.979 16.027 ( 7.596 -0.000 -4.826) 8.999 16.330 ( 4.195 -0.000 -0.537) 4.229 16.567 ( 2.862 -0.000 -4.954) 5.721 16.847 ( -0.321 0.000 2.547) 2.567 16.879 ( -0.407 0.000 -0.201) 0.454 16.905 ( 4.282 -0.000 -1.628) 4.581 17.127 ( 0.884 -0.000 1.603) 1.831 17.143 ( 2.441 -0.000 0.538) 2.499 17.281 ( 2.631 -0.000 -0.770) 2.742 20.085 ( -9.069 0.000 -3.764) 9.819 20.135 ( -11.616 0.000 5.684) 12.932 21.248 ( 10.327 -0.000 0.739) 10.353 21.412 ( 7.573 -0.000 -0.496) 7.590 22.697 ( 3.680 -0.000 3.612) 5.156 23.029 ( 6.788 -0.000 -6.145) 9.156 28.045 ( 5.372 -0.000 11.706) 12.880 28.061 ( 1.887 -0.000 -6.552) 6.818 29.731 ( -3.267 0.000 -5.625) 6.505 29.884 ( 0.506 -0.000 0.677) 0.845 29.922 ( -2.075 0.000 1.150) 2.372 30.025 ( -2.968 0.000 3.669) 4.719 31.058 ( -1.744 0.000 0.474) 1.807 31.134 ( 0.161 -0.000 -3.409) 3.412 31.185 ( -0.335 0.000 -2.022) 2.049 31.193 ( -4.171 0.000 3.383) 5.370 31.816 ( 3.745 -0.000 3.110) 4.868 31.951 ( 8.466 -0.000 -3.855) 9.302 32.080 ( -2.181 0.000 2.541) 3.349 32.181 ( -0.956 0.000 -1.984) 2.202 32.507 ( -7.280 0.000 -2.476) 7.690 32.662 ( -10.073 0.000 -0.590) 10.090 32.786 ( -1.683 0.000 6.825) 7.030 33.354 ( 5.724 -0.000 -11.834) 13.145 34.358 ( 1.959 -0.000 0.757) 2.100 34.392 ( 0.059 -0.000 -4.855) 4.856 34.758 ( 0.413 -0.000 17.544) 17.549 35.249 ( 7.912 -0.000 -5.985) 9.921 36.163 ( -9.661 0.000 0.124) 9.661 36.508 ( -14.771 0.000 8.577) 17.081 36.755 ( 7.916 -0.000 -5.857) 9.847 37.413 ( 10.127 -0.000 -3.730) 10.792 ======================= Grid point 148 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -9.570 -18.460 8.956) 22.640 1.561 ( -17.556 -3.238 34.405) 38.761 1.884 ( -4.970 -4.663 -7.933) 10.459 2.000 ( -15.279 -4.286 1.341) 15.926 2.240 ( -15.595 -1.388 -4.761) 16.365 2.710 ( 1.372 8.765 -1.053) 8.934 2.983 ( 3.837 -1.379 2.173) 4.620 3.083 ( -4.343 1.357 3.501) 5.741 3.174 ( -1.683 -2.162 4.862) 5.580 3.206 ( -8.070 4.550 -1.855) 9.449 3.345 ( -3.650 3.387 -3.325) 5.987 3.403 ( 0.723 1.154 0.615) 1.494 3.553 ( 5.818 -1.601 -10.990) 12.537 3.786 ( 3.812 -2.432 1.937) 4.919 3.895 ( 4.175 -5.219 3.506) 7.547 3.939 ( -9.139 -4.080 -12.971) 16.383 4.156 ( -6.751 -5.037 -1.267) 8.518 4.184 ( 3.248 -3.007 0.940) 4.524 4.292 ( -1.662 -1.993 -1.952) 3.247 4.492 ( -1.013 3.041 7.479) 8.137 4.517 ( -6.835 2.883 -1.987) 7.680 4.658 ( -3.920 -2.465 1.454) 4.854 4.752 ( 10.313 -1.738 -6.290) 12.204 4.791 ( -5.009 0.568 4.317) 6.637 4.948 ( -3.904 1.225 -1.959) 4.537 4.963 ( 1.995 0.461 -8.370) 8.617 5.239 ( -6.351 5.118 5.147) 9.645 5.493 ( -6.827 1.618 -3.256) 7.735 5.571 ( 10.018 2.990 -4.146) 11.247 5.669 ( -2.781 2.599 2.813) 4.733 5.793 ( 4.131 1.042 0.632) 4.307 5.896 ( 8.256 -7.996 -3.111) 11.907 6.048 ( 8.277 -3.414 -0.727) 8.983 6.274 ( 14.998 -7.202 -0.469) 16.644 7.316 ( 5.684 -0.227 9.149) 10.774 7.411 ( 0.311 0.784 -8.400) 8.442 7.617 ( 0.694 1.438 5.078) 5.323 7.762 ( 3.237 3.109 -3.306) 5.574 7.849 ( -1.021 -3.320 13.274) 13.721 8.017 ( 1.332 -3.663 7.276) 8.255 8.317 ( 3.596 -0.517 2.355) 4.329 8.426 ( 2.641 2.931 -2.551) 4.698 8.892 ( -4.468 -0.376 -1.151) 4.630 8.926 ( -4.907 -0.186 -2.268) 5.409 9.026 ( -0.312 2.758 -3.112) 4.170 9.164 ( -0.552 0.768 -3.593) 3.715 9.417 ( 5.357 4.098 2.443) 7.173 9.577 ( 9.340 3.914 -2.813) 10.510 9.831 ( 5.607 0.512 -3.458) 6.608 9.968 ( 9.637 -1.603 4.021) 10.565 10.321 ( -1.790 0.317 6.037) 6.305 10.545 ( -0.885 1.122 -6.704) 6.855 10.804 ( -3.506 -0.341 0.898) 3.636 10.890 ( -1.813 -2.500 3.490) 4.660 11.372 ( -11.161 -0.243 -3.496) 11.698 11.584 ( -8.740 -1.039 2.889) 9.264 12.028 ( 5.579 1.081 -2.206) 6.096 12.074 ( 5.893 0.767 1.053) 6.035 12.845 ( 3.897 4.576 -3.900) 7.165 12.888 ( 2.723 3.344 0.699) 4.369 13.067 ( 3.076 -3.466 -1.507) 4.873 13.266 ( 6.251 -0.705 -0.403) 6.304 13.573 ( 1.270 0.260 -4.773) 4.946 13.763 ( -8.003 0.591 4.951) 9.429 13.928 ( 3.872 2.469 0.660) 4.640 14.011 ( -1.607 -1.394 5.762) 6.142 14.720 ( -13.110 2.545 -2.639) 13.613 14.834 ( -8.598 1.395 -0.265) 8.715 14.983 ( -3.466 1.388 3.390) 5.043 15.008 ( 0.175 -0.977 -3.145) 3.298 15.587 ( -15.000 3.588 4.050) 15.946 15.684 ( -13.089 -1.748 0.335) 13.209 15.779 ( -10.929 1.208 4.094) 11.733 16.003 ( 3.674 7.725 -5.987) 10.441 16.392 ( 5.079 -1.144 -0.669) 5.249 16.606 ( 2.914 -2.579 -5.244) 6.530 16.829 ( 0.514 1.880 1.720) 2.599 16.897 ( -1.340 -2.188 1.693) 3.073 16.973 ( 3.535 -3.660 -1.804) 5.398 17.118 ( -0.070 1.403 0.009) 1.405 17.177 ( 2.363 -1.284 0.175) 2.695 17.295 ( 2.942 2.438 1.749) 4.202 19.926 ( -11.386 5.896 2.271) 13.021 20.039 ( -8.720 0.373 -0.807) 8.766 21.333 ( 9.633 1.821 1.090) 9.865 21.475 ( 6.623 0.560 -1.122) 6.741 22.787 ( 6.016 -3.757 3.790) 8.042 23.109 ( 6.758 -3.594 -6.696) 10.170 28.039 ( 2.795 2.680 -2.307) 4.507 28.125 ( 5.189 2.382 9.600) 11.169 29.609 ( -5.857 6.127 -4.539) 9.615 29.792 ( -2.768 4.549 0.268) 5.331 29.944 ( -4.136 -0.861 2.316) 4.818 30.047 ( -0.029 -2.195 0.722) 2.311 31.024 ( -3.178 0.770 0.762) 3.357 31.095 ( -1.085 1.539 -3.012) 3.552 31.218 ( 1.378 -3.344 -2.136) 4.201 31.314 ( 2.323 -13.165 3.440) 13.804 31.849 ( 2.083 1.549 2.820) 3.832 31.999 ( 4.161 1.613 -1.513) 4.712 32.072 ( 2.190 -0.993 -0.069) 2.406 32.163 ( -0.484 0.754 -1.930) 2.128 32.453 ( -5.434 -1.585 -1.677) 5.903 32.564 ( -9.850 -0.229 -0.522) 9.866 32.770 ( -4.515 0.878 5.499) 7.169 33.336 ( 1.802 1.315 -16.710) 16.858 34.373 ( -0.784 -1.008 -2.203) 2.546 34.439 ( 2.745 -5.396 -1.000) 6.136 34.824 ( 3.512 1.362 20.525) 20.867 35.334 ( 8.787 -2.848 -5.266) 10.633 36.049 ( -8.902 3.190 0.768) 9.487 36.368 ( -14.220 2.672 6.895) 16.028 36.675 ( 3.810 13.812 -5.505) 15.349 37.495 ( 10.627 1.618 -2.274) 10.988 ======================= Grid point 149 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -10.077 -21.602 9.964) 25.835 1.614 ( -8.836 -4.080 17.629) 20.138 1.731 ( -27.467 -7.998 5.980) 29.226 1.999 ( -3.393 -7.455 0.187) 8.193 2.286 ( -6.002 -10.412 -3.197) 12.436 2.583 ( 0.351 4.021 -2.912) 4.977 2.854 ( -8.132 9.830 -4.113) 13.404 3.036 ( -6.602 0.171 7.592) 10.062 3.117 ( 0.403 1.312 1.804) 2.267 3.198 ( -0.704 2.538 3.935) 4.735 3.243 ( -0.051 2.580 -5.093) 5.709 3.461 ( 3.524 -4.696 0.210) 5.875 3.638 ( 4.422 -4.175 -4.496) 7.563 3.850 ( -2.539 1.222 -5.743) 6.397 3.879 ( -2.277 -3.841 -4.380) 6.255 4.022 ( 0.034 -7.115 0.841) 7.164 4.161 ( -7.427 -2.165 -1.038) 7.805 4.285 ( -0.493 -6.218 0.820) 6.291 4.328 ( -1.081 -6.191 -2.422) 6.735 4.414 ( -1.081 2.442 -2.187) 3.452 4.507 ( -1.865 -2.986 4.339) 5.588 4.695 ( -4.175 2.057 0.462) 4.678 4.711 ( -5.527 -4.641 5.119) 8.848 4.825 ( 4.837 1.689 -4.149) 6.593 4.881 ( 0.562 0.265 -1.082) 1.248 4.974 ( 5.601 3.120 -1.229) 6.528 5.217 ( -2.215 -6.790 -2.229) 7.482 5.369 ( -5.752 6.062 -1.516) 8.493 5.576 ( -4.564 -0.839 -4.470) 6.443 5.621 ( 13.685 6.862 -0.486) 15.317 5.830 ( 4.577 0.253 2.276) 5.118 6.049 ( 10.513 0.151 -1.588) 10.634 6.193 ( 6.540 -3.819 -5.484) 9.351 6.492 ( 9.563 -4.271 -0.435) 10.482 7.346 ( -0.440 2.282 -5.766) 6.217 7.377 ( 1.986 0.514 6.478) 6.795 7.619 ( 0.161 0.156 -5.085) 5.090 7.758 ( 3.460 0.987 1.345) 3.841 7.877 ( -2.608 1.783 7.602) 8.232 8.116 ( 3.024 -1.783 10.726) 11.286 8.340 ( 4.365 3.982 6.316) 8.649 8.479 ( 5.189 -5.016 1.527) 7.377 8.815 ( -3.254 4.057 -1.685) 5.467 8.891 ( -6.085 -0.041 1.760) 6.335 8.992 ( 1.942 -0.184 -4.739) 5.125 9.106 ( -3.356 3.027 -2.667) 5.247 9.394 ( 4.849 5.413 2.446) 7.668 9.557 ( 8.401 6.897 -2.354) 11.121 9.866 ( 5.899 0.764 -2.167) 6.331 10.092 ( 7.737 -1.634 2.870) 8.412 10.288 ( -1.828 3.134 0.981) 3.758 10.522 ( -0.209 -0.801 -3.007) 3.118 10.802 ( -0.852 -2.117 -0.743) 2.400 10.920 ( -2.166 -1.715 3.950) 4.821 11.274 ( -9.485 -1.328 -3.463) 10.185 11.539 ( -8.269 -2.137 2.540) 8.910 12.037 ( 4.299 2.456 -1.778) 5.261 12.107 ( 4.935 2.061 0.657) 5.389 12.762 ( 2.690 5.277 -2.915) 6.601 12.895 ( 5.732 2.749 0.164) 6.359 13.134 ( 2.092 -2.085 -1.227) 3.198 13.322 ( 4.651 0.353 -0.822) 4.736 13.577 ( 0.300 -0.779 -1.985) 2.153 13.704 ( -6.076 -0.356 5.359) 8.109 13.904 ( 1.080 4.948 5.533) 7.501 14.014 ( -2.246 -0.484 -0.174) 2.304 14.536 ( -11.768 3.478 -0.644) 12.288 14.698 ( -10.053 2.190 0.266) 10.292 14.943 ( -0.170 2.650 2.991) 4.000 15.050 ( 1.330 -3.766 -3.322) 5.195 15.432 ( -11.406 -0.073 1.337) 11.484 15.589 ( -10.697 -0.761 -1.445) 10.821 15.681 ( -11.007 -1.097 3.201) 11.515 15.826 ( -7.303 8.290 -3.413) 11.563 16.442 ( 2.923 -0.417 0.500) 2.995 16.659 ( 2.434 -2.136 -3.853) 5.033 16.815 ( 1.136 1.039 0.990) 1.830 16.921 ( -1.911 -1.961 0.911) 2.886 17.065 ( 1.515 -4.255 -1.185) 4.669 17.093 ( -0.902 0.742 -1.341) 1.778 17.221 ( 3.399 -0.094 0.248) 3.409 17.268 ( 0.048 2.436 2.792) 3.705 19.759 ( -7.929 2.613 2.940) 8.851 19.959 ( -5.716 0.099 -3.324) 6.613 21.370 ( 6.636 3.570 2.025) 7.803 21.499 ( 4.498 2.389 -2.365) 5.616 22.933 ( 6.541 -4.050 4.243) 8.786 23.214 ( 5.733 -3.580 -6.613) 9.456 28.008 ( 1.620 3.412 0.984) 3.903 28.099 ( 0.751 6.032 5.167) 7.978 29.471 ( -6.434 0.504 -1.657) 6.664 29.719 ( -1.602 1.449 -0.761) 2.291 29.896 ( -4.469 1.798 2.647) 5.496 30.062 ( -0.871 0.095 -0.774) 1.169 31.005 ( -2.786 -1.651 1.908) 3.759 31.057 ( -0.805 0.957 -2.700) 2.975 31.305 ( 3.225 -5.071 -1.675) 6.239 31.578 ( 4.133 -8.446 3.255) 9.950 31.833 ( 1.911 -0.099 2.036) 2.794 32.006 ( 2.824 1.326 1.678) 3.543 32.101 ( 0.455 1.732 -5.218) 5.517 32.175 ( 6.603 -1.760 -0.031) 6.833 32.439 ( -4.620 -2.702 -1.619) 5.592 32.497 ( -6.153 -1.474 -0.324) 6.336 32.700 ( -7.418 1.727 2.453) 8.002 33.259 ( -2.439 1.234 -17.166) 17.382 34.389 ( -1.757 -2.821 0.218) 3.330 34.586 ( 3.897 -8.231 -1.041) 9.166 34.885 ( 3.697 2.624 19.243) 19.770 35.457 ( 6.785 -2.806 -2.633) 7.801 35.891 ( -9.262 6.132 2.572) 11.402 36.202 ( -11.083 4.722 6.615) 13.744 36.434 ( 5.334 13.873 -8.168) 16.960 37.501 ( 5.704 7.223 -1.021) 9.260 ======================= Grid point 157 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -12.686 0.000 16.473) 20.792 1.435 ( -25.453 0.000 41.375) 48.577 1.691 ( -19.189 0.000 -8.747) 21.089 1.920 ( -3.308 0.000 2.252) 4.002 2.011 ( -18.961 0.000 -4.666) 19.526 2.803 ( -4.355 0.000 -2.914) 5.240 2.978 ( 2.824 -0.000 3.769) 4.709 3.012 ( -11.476 0.000 1.358) 11.556 3.170 ( -4.530 0.000 5.168) 6.873 3.212 ( 0.535 -0.000 1.601) 1.688 3.324 ( -1.039 0.000 -1.978) 2.234 3.432 ( -0.479 0.000 4.960) 4.983 3.563 ( 7.798 -0.000 -20.056) 21.518 3.725 ( -6.744 0.000 -12.701) 14.380 3.824 ( 0.870 -0.000 -1.485) 1.720 3.885 ( 0.645 -0.000 2.811) 2.884 4.089 ( 0.318 -0.000 -1.673) 1.703 4.186 ( 1.547 -0.000 0.736) 1.713 4.275 ( 1.220 -0.000 -1.672) 2.069 4.443 ( -9.727 0.000 -3.704) 10.409 4.542 ( 0.661 -0.000 7.580) 7.608 4.615 ( -5.203 0.000 8.798) 10.221 4.781 ( -2.071 0.000 3.076) 3.709 4.801 ( 6.305 -0.000 -11.969) 13.528 4.884 ( -5.054 0.000 -0.588) 5.088 4.966 ( 6.407 -0.000 -12.465) 14.015 5.280 ( -4.458 0.000 4.205) 6.129 5.517 ( -7.664 0.000 -7.448) 10.687 5.560 ( -5.090 0.000 -8.131) 9.593 5.635 ( -1.507 0.000 6.237) 6.417 5.814 ( 12.573 -0.000 2.383) 12.797 5.881 ( 7.751 -0.000 -2.395) 8.112 6.177 ( 10.754 -0.000 2.808) 11.115 6.343 ( 16.040 -0.000 -1.049) 16.074 7.381 ( -0.145 0.000 -9.871) 9.872 7.413 ( 6.010 -0.000 9.165) 10.960 7.650 ( -2.694 0.000 4.928) 5.616 7.758 ( -0.205 0.000 -1.968) 1.978 7.940 ( 5.835 -0.000 26.495) 27.130 8.016 ( 3.891 -0.000 4.265) 5.774 8.356 ( 5.607 -0.000 2.094) 5.986 8.476 ( 3.478 -0.000 -3.906) 5.230 8.814 ( -7.008 0.000 -0.320) 7.015 8.887 ( -3.419 0.000 -2.450) 4.206 9.043 ( 0.439 -0.000 -2.816) 2.850 9.153 ( -1.482 0.000 -1.897) 2.407 9.518 ( 6.146 -0.000 2.383) 6.592 9.690 ( 8.655 -0.000 -3.340) 9.277 9.888 ( 6.806 -0.000 -3.191) 7.517 10.051 ( 8.434 -0.000 2.830) 8.896 10.315 ( -3.062 0.000 6.006) 6.742 10.509 ( -3.437 0.000 -6.192) 7.082 10.786 ( -0.114 0.000 -0.584) 0.595 10.864 ( -1.439 0.000 3.741) 4.009 11.250 ( -11.671 0.000 -2.847) 12.014 11.492 ( -9.962 0.000 2.479) 10.266 12.093 ( 6.518 -0.000 -1.834) 6.771 12.144 ( 6.861 -0.000 0.514) 6.880 12.935 ( 0.795 -0.000 -5.140) 5.201 12.937 ( 6.692 -0.000 -1.998) 6.984 13.050 ( 3.270 -0.000 1.784) 3.725 13.313 ( 4.579 -0.000 2.718) 5.324 13.576 ( 1.803 -0.000 -6.243) 6.498 13.708 ( -7.548 0.000 4.697) 8.890 13.967 ( 3.761 -0.000 -8.765) 9.537 14.034 ( 0.595 -0.000 14.226) 14.238 14.613 ( -12.171 0.000 -2.722) 12.472 14.731 ( -14.363 0.000 1.648) 14.458 14.983 ( -1.694 0.000 -1.939) 2.575 14.996 ( 0.221 -0.000 3.167) 3.175 15.466 ( -20.290 0.000 8.482) 21.992 15.541 ( -9.848 0.000 -4.189) 10.702 15.691 ( -12.124 0.000 4.097) 12.798 16.099 ( 3.670 -0.000 -16.071) 16.485 16.450 ( 8.054 -0.000 -1.989) 8.296 16.597 ( 3.216 -0.000 -3.430) 4.702 16.853 ( -2.349 0.000 -0.299) 2.368 16.870 ( 0.662 -0.000 3.911) 3.967 16.959 ( 1.832 -0.000 -1.891) 2.633 17.136 ( -2.125 0.000 -2.455) 3.247 17.164 ( 2.805 -0.000 0.378) 2.830 17.399 ( 8.375 -0.000 4.961) 9.734 19.902 ( -7.741 0.000 -3.117) 8.345 19.937 ( -11.978 0.000 5.213) 13.063 21.444 ( 9.060 -0.000 0.658) 9.084 21.531 ( 5.271 -0.000 -1.056) 5.376 22.826 ( 7.509 -0.000 3.027) 8.096 23.123 ( 7.013 -0.000 -7.018) 9.922 28.072 ( 3.472 -0.000 -7.322) 8.103 28.289 ( 11.685 -0.000 20.692) 23.763 29.604 ( -6.351 0.000 -9.388) 11.334 29.803 ( -9.676 0.000 5.476) 11.118 29.897 ( -0.726 0.000 0.026) 0.727 30.038 ( 2.499 -0.000 -0.401) 2.531 31.031 ( -0.423 0.000 -1.793) 1.842 31.131 ( -3.540 0.000 5.233) 6.318 31.136 ( 1.759 -0.000 -3.413) 3.839 31.184 ( 0.510 -0.000 -1.643) 1.721 31.913 ( 3.874 -0.000 4.315) 5.799 32.015 ( -3.338 0.000 0.788) 3.430 32.094 ( 6.550 -0.000 -4.637) 8.025 32.152 ( -1.106 0.000 -1.810) 2.121 32.392 ( -3.732 0.000 -0.726) 3.802 32.465 ( -9.259 0.000 -0.446) 9.269 32.743 ( -6.966 0.000 6.304) 9.395 33.262 ( -5.960 0.000 -27.688) 28.322 34.358 ( -0.635 0.000 -3.002) 3.068 34.410 ( 2.944 -0.000 0.268) 2.956 34.977 ( 10.228 -0.000 27.965) 29.776 35.362 ( 6.625 -0.000 -5.184) 8.413 36.006 ( -6.150 0.000 0.323) 6.158 36.265 ( -14.130 0.000 2.399) 14.332 36.852 ( 4.031 -0.000 1.482) 4.295 37.592 ( 10.223 -0.000 -2.028) 10.423 ======================= Grid point 158 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -12.814 -19.875 14.367) 27.670 1.324 ( -36.231 -5.649 6.904) 37.313 1.488 ( -19.224 -5.262 33.997) 39.409 1.880 ( -1.370 -3.073 -3.860) 5.120 2.017 ( -6.448 -10.011 -3.295) 12.355 2.650 ( -8.143 6.040 -5.301) 11.440 2.882 ( -11.917 1.379 2.578) 12.271 2.969 ( -5.335 6.336 -3.846) 9.132 3.138 ( -1.703 -4.157 6.250) 7.696 3.211 ( 1.285 2.552 6.981) 7.543 3.339 ( 3.055 2.407 -0.982) 4.012 3.431 ( 1.112 -1.138 2.893) 3.302 3.602 ( 5.767 -2.724 -11.143) 12.839 3.712 ( -2.502 -6.212 -14.125) 15.632 3.830 ( -0.507 -0.476 -0.823) 1.077 3.916 ( -2.681 -4.303 -0.415) 5.087 4.114 ( 1.110 -0.566 0.219) 1.265 4.179 ( -5.691 -0.128 -4.932) 7.532 4.258 ( 2.458 -2.239 -1.697) 3.733 4.421 ( -2.076 -1.472 -2.144) 3.327 4.521 ( 0.969 4.339 0.926) 4.542 4.601 ( -4.865 -2.946 7.362) 9.303 4.704 ( -3.711 3.258 -0.818) 5.006 4.843 ( -1.137 -3.274 0.863) 3.571 4.894 ( 3.978 -0.464 -4.193) 5.798 5.012 ( 2.393 -3.492 -11.169) 11.944 5.166 ( -2.421 5.865 5.721) 8.543 5.346 ( -5.895 1.494 -1.394) 6.239 5.506 ( -4.573 -1.156 -3.821) 6.071 5.841 ( 9.308 -0.543 -1.328) 9.418 5.940 ( 11.283 1.071 0.304) 11.338 5.966 ( 5.404 -10.983 -8.471) 14.886 6.261 ( 10.171 1.418 3.023) 10.705 6.509 ( 9.365 -3.326 -1.525) 10.054 7.348 ( -0.078 0.576 -7.315) 7.338 7.456 ( 2.587 2.995 6.498) 7.609 7.612 ( -2.653 1.007 0.151) 2.842 7.758 ( -0.572 -0.314 -2.372) 2.460 7.987 ( 4.207 5.634 14.481) 16.098 8.178 ( 9.625 -2.560 21.075) 23.310 8.450 ( 7.188 -1.054 6.240) 9.577 8.473 ( 3.373 0.614 -2.951) 4.523 8.796 ( -5.159 -3.849 0.947) 6.506 8.841 ( -2.047 1.404 -2.116) 3.261 9.017 ( 1.035 2.408 -2.414) 3.563 9.114 ( -3.053 2.076 -0.458) 3.721 9.538 ( 5.135 4.760 1.975) 7.275 9.718 ( 6.838 4.028 -3.657) 8.738 9.934 ( 6.865 0.956 -2.199) 7.272 10.140 ( 5.931 -1.382 1.278) 6.222 10.304 ( -2.112 0.199 3.766) 4.323 10.476 ( -2.100 -1.484 -4.080) 4.822 10.791 ( 2.440 0.065 -1.934) 3.114 10.880 ( -1.521 -1.963 3.807) 4.545 11.142 ( -10.978 -1.243 -2.586) 11.347 11.418 ( -10.563 -2.007 1.838) 10.908 12.131 ( 6.534 2.363 -0.971) 7.016 12.198 ( 6.647 1.778 0.247) 6.885 12.873 ( 3.067 5.161 -3.823) 7.117 12.988 ( 5.570 1.397 -1.798) 6.018 13.113 ( 2.442 -2.172 2.038) 3.851 13.360 ( 2.850 0.033 3.057) 4.180 13.576 ( 2.061 0.109 -4.688) 5.123 13.656 ( -5.811 -0.259 4.146) 7.143 13.974 ( 0.698 -0.770 -7.026) 7.103 14.043 ( 1.162 5.481 12.118) 13.350 14.476 ( -10.954 2.762 -1.210) 11.361 14.608 ( -11.141 -0.966 1.259) 11.254 14.967 ( -2.770 -1.648 -2.106) 3.850 14.995 ( -2.559 0.461 4.769) 5.432 15.315 ( -14.070 -0.136 4.652) 14.820 15.458 ( -7.920 -1.423 -5.200) 9.581 15.578 ( -12.191 0.872 2.704) 12.518 15.884 ( -13.531 13.177 -16.666) 25.189 16.503 ( 6.488 1.737 -1.141) 6.812 16.646 ( 3.762 -1.924 -2.639) 4.981 16.820 ( -2.767 0.205 0.022) 2.775 16.900 ( 1.126 -0.820 2.731) 3.066 16.993 ( -0.491 -3.493 -1.912) 4.012 17.090 ( -2.159 1.071 -1.996) 3.129 17.221 ( 3.231 -2.148 -0.237) 3.887 17.397 ( 3.394 9.073 6.471) 11.650 19.747 ( -8.384 4.466 2.676) 9.869 19.883 ( -6.410 -1.410 -2.169) 6.912 21.489 ( 5.394 3.043 1.197) 6.307 21.567 ( 3.994 1.260 -2.178) 4.720 22.953 ( 8.954 -3.939 2.872) 10.195 23.196 ( 6.409 -2.932 -6.703) 9.727 28.072 ( 3.956 1.785 -5.914) 7.335 28.330 ( 5.176 15.642 19.685) 25.670 29.419 ( -10.600 4.086 -5.691) 12.707 29.713 ( -6.443 0.982 3.006) 7.177 29.879 ( -2.577 0.877 1.624) 3.169 30.065 ( 1.410 0.275 -1.975) 2.442 30.965 ( -4.171 0.928 2.974) 5.206 31.072 ( 1.170 2.107 -5.245) 5.772 31.240 ( 2.421 -5.216 -2.587) 6.306 31.442 ( 9.743 -18.690 3.033) 21.294 31.876 ( -0.482 3.869 2.482) 4.622 32.041 ( 2.255 -1.589 2.088) 3.460 32.120 ( 0.208 1.362 -4.397) 4.608 32.177 ( 5.320 -4.247 -3.591) 7.697 32.361 ( -4.151 -0.359 -0.143) 4.169 32.411 ( -4.845 -2.066 0.005) 5.267 32.657 ( -10.235 2.418 2.936) 10.919 33.102 ( -13.548 -4.115 -30.318) 33.461 34.350 ( -0.372 -0.663 -0.238) 0.796 34.493 ( 3.106 -6.015 -1.251) 6.884 35.108 ( 11.610 8.264 26.147) 29.779 35.458 ( 6.238 -4.147 0.967) 7.553 35.913 ( -6.702 5.303 0.886) 8.592 36.134 ( -12.672 0.489 0.953) 12.717 36.739 ( 5.569 15.224 5.267) 17.045 37.660 ( 7.117 4.192 -1.147) 8.340 ======================= Grid point 167 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -16.846 0.000 23.120) 28.606 0.920 ( -41.175 0.000 6.025) 41.613 1.330 ( -24.268 0.000 51.886) 57.281 1.814 ( -0.833 0.000 -14.950) 14.973 1.895 ( -3.574 0.000 -0.998) 3.710 2.571 ( -11.061 0.000 -2.213) 11.281 2.787 ( -10.269 0.000 -2.695) 10.616 3.014 ( -1.487 0.000 -0.117) 1.492 3.086 ( -4.572 0.000 4.776) 6.611 3.287 ( 2.464 -0.000 5.625) 6.141 3.342 ( 0.178 -0.000 5.613) 5.615 3.463 ( -0.633 0.000 9.997) 10.017 3.591 ( 3.939 -0.000 -11.786) 12.427 3.629 ( 7.756 -0.000 -22.522) 23.820 3.818 ( -5.953 0.000 -1.679) 6.185 3.845 ( 2.041 -0.000 -1.241) 2.389 4.130 ( 4.705 -0.000 -4.381) 6.429 4.139 ( -3.988 0.000 -1.220) 4.171 4.266 ( -5.835 0.000 -12.647) 13.928 4.330 ( 0.120 -0.000 -0.375) 0.393 4.560 ( -3.387 0.000 5.889) 6.794 4.618 ( 2.551 -0.000 -5.826) 6.360 4.698 ( -5.739 0.000 -4.441) 7.257 4.777 ( 0.415 -0.000 8.441) 8.451 4.889 ( 4.455 -0.000 -9.714) 10.687 4.958 ( -3.372 0.000 -9.075) 9.681 5.218 ( -7.417 0.000 7.624) 10.636 5.324 ( -6.056 0.000 1.410) 6.218 5.458 ( 0.345 -0.000 -4.161) 4.176 5.633 ( -0.428 0.000 0.449) 0.620 6.040 ( 8.348 -0.000 0.468) 8.361 6.077 ( 12.066 -0.000 0.379) 12.072 6.354 ( 4.643 -0.000 4.373) 6.378 6.561 ( 7.437 -0.000 -2.574) 7.870 7.334 ( 1.349 -0.000 -6.039) 6.187 7.525 ( 0.714 -0.000 5.076) 5.126 7.585 ( -4.545 0.000 1.672) 4.843 7.757 ( 1.843 -0.000 -3.072) 3.582 8.131 ( 3.625 -0.000 5.793) 6.834 8.417 ( 23.255 -0.000 25.307) 34.369 8.506 ( 7.216 -0.000 4.726) 8.625 8.524 ( 8.856 -0.000 7.964) 11.910 8.689 ( -6.003 0.000 3.008) 6.714 8.833 ( -1.661 0.000 -1.420) 2.185 9.058 ( 2.563 -0.000 0.650) 2.644 9.108 ( -3.050 0.000 2.091) 3.698 9.634 ( 4.195 -0.000 1.543) 4.469 9.789 ( 4.206 -0.000 -4.693) 6.302 10.003 ( 6.355 -0.000 -1.911) 6.636 10.171 ( 3.354 -0.000 -0.818) 3.452 10.290 ( -2.402 0.000 4.538) 5.134 10.437 ( -0.558 0.000 -3.525) 3.568 10.821 ( 4.858 -0.000 -3.059) 5.741 10.863 ( -0.314 0.000 3.990) 4.002 11.019 ( -11.177 0.000 -2.077) 11.369 11.299 ( -11.353 0.000 0.916) 11.390 12.210 ( 6.233 -0.000 -0.139) 6.235 12.282 ( 6.840 -0.000 0.665) 6.872 12.938 ( 2.684 -0.000 -2.398) 3.599 13.029 ( 4.823 -0.000 -5.346) 7.200 13.145 ( 3.943 -0.000 6.495) 7.598 13.403 ( 3.411 -0.000 3.826) 5.126 13.586 ( 2.914 -0.000 -4.434) 5.305 13.614 ( -4.867 0.000 3.948) 6.267 13.945 ( -0.355 0.000 -6.799) 6.809 14.169 ( 6.051 -0.000 10.891) 12.459 14.430 ( -5.848 0.000 -1.836) 6.129 14.474 ( -12.315 0.000 2.186) 12.508 14.884 ( -8.418 0.000 0.915) 8.467 14.967 ( -8.854 0.000 -0.929) 8.902 15.221 ( -7.335 0.000 3.688) 8.210 15.383 ( -2.197 0.000 -6.350) 6.720 15.489 ( -10.846 0.000 2.793) 11.200 15.775 ( -27.935 0.000 -39.481) 48.364 16.580 ( 6.531 -0.000 -2.354) 6.943 16.663 ( 4.334 -0.000 0.110) 4.335 16.787 ( -3.535 0.000 -0.782) 3.620 16.904 ( -1.480 0.000 5.810) 5.996 16.956 ( 0.905 -0.000 -3.446) 3.563 17.075 ( -2.013 0.000 -1.847) 2.732 17.234 ( 3.525 -0.000 1.276) 3.749 17.601 ( 8.456 -0.000 -3.193) 9.039 19.758 ( -8.910 0.000 2.403) 9.228 19.771 ( -4.178 0.000 -1.981) 4.624 21.565 ( 2.696 -0.000 -1.023) 2.884 21.600 ( 2.927 -0.000 -1.700) 3.385 22.989 ( 6.790 -0.000 3.120) 7.473 23.214 ( 6.523 -0.000 -4.657) 8.015 28.114 ( 5.461 -0.000 -6.059) 8.156 28.759 ( 20.558 -0.000 12.309) 23.961 29.325 ( -14.310 0.000 -9.744) 17.312 29.639 ( -10.392 0.000 5.971) 11.985 29.900 ( 0.561 -0.000 1.874) 1.956 30.077 ( 2.048 -0.000 -2.111) 2.941 31.025 ( 0.732 -0.000 -1.271) 1.467 31.115 ( -2.133 0.000 1.609) 2.672 31.154 ( 2.443 -0.000 -4.017) 4.702 31.193 ( 1.145 -0.000 -0.667) 1.325 31.946 ( -3.530 0.000 1.357) 3.782 31.991 ( 0.848 -0.000 3.884) 3.976 32.114 ( -1.129 0.000 -1.667) 2.013 32.169 ( 4.261 -0.000 -6.837) 8.056 32.347 ( -1.319 0.000 0.293) 1.351 32.349 ( -2.627 0.000 0.690) 2.716 32.607 ( -9.880 0.000 3.866) 10.609 32.707 ( -31.955 0.000 -30.508) 44.180 34.349 ( 0.653 -0.000 -0.114) 0.663 34.457 ( 1.800 -0.000 -0.970) 2.045 35.428 ( 3.111 -0.000 -1.789) 3.589 35.512 ( 26.224 -0.000 25.236) 36.394 35.946 ( -0.836 0.000 -0.119) 0.844 35.995 ( -13.561 0.000 -6.622) 15.092 37.042 ( 16.235 -0.000 27.397) 31.846 37.755 ( 6.943 -0.000 -0.526) 6.963 ======================= Grid point 168 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -12.704 0.000 -25.161) 28.186 1.164 ( 12.704 -0.000 25.161) 28.186 1.220 ( 4.422 -0.000 -27.376) 27.731 1.220 ( -4.422 0.000 27.376) 27.731 2.304 ( 6.972 -0.000 -33.673) 34.387 2.304 ( -6.972 0.000 33.673) 34.387 2.913 ( -10.035 0.000 -10.906) 14.820 2.913 ( 10.035 -0.000 10.906) 14.820 3.139 ( 5.629 -0.000 -14.670) 15.713 3.139 ( -5.629 0.000 14.670) 15.713 3.415 ( 2.436 -0.000 -8.009) 8.371 3.415 ( -2.436 0.000 8.009) 8.371 3.502 ( -2.785 0.000 -1.141) 3.010 3.502 ( 2.785 -0.000 1.141) 3.010 3.850 ( 3.558 -0.000 -7.769) 8.545 3.850 ( -3.558 0.000 7.769) 8.545 4.004 ( 6.961 -0.000 -5.158) 8.663 4.004 ( -6.961 0.000 5.158) 8.663 4.257 ( -5.705 0.000 -6.349) 8.536 4.257 ( 5.705 -0.000 6.349) 8.536 4.562 ( -1.204 0.000 -0.207) 1.222 4.562 ( 1.204 -0.000 0.207) 1.222 4.674 ( -1.760 0.000 -5.681) 5.947 4.674 ( 1.760 -0.000 5.681) 5.947 4.827 ( -3.267 0.000 0.543) 3.312 4.827 ( 3.267 -0.000 -0.543) 3.312 5.366 ( 9.009 -0.000 -11.436) 14.558 5.366 ( -9.009 0.000 11.436) 14.558 5.520 ( 0.059 -0.000 -6.932) 6.932 5.520 ( -0.059 0.000 6.932) 6.932 6.189 ( -0.432 0.000 -1.831) 1.882 6.189 ( 0.432 -0.000 1.831) 1.882 6.509 ( 1.481 -0.000 -5.821) 6.006 6.509 ( -1.481 0.000 5.821) 6.006 7.409 ( -9.811 0.000 -0.800) 9.844 7.409 ( 9.811 -0.000 0.800) 9.844 7.678 ( 0.269 -0.000 -4.428) 4.436 7.678 ( -0.269 0.000 4.428) 4.436 8.300 ( 1.720 -0.000 -7.880) 8.066 8.300 ( -1.720 0.000 7.880) 8.066 8.736 ( -2.494 0.000 -3.804) 4.549 8.736 ( 2.494 -0.000 3.804) 4.549 8.847 ( 2.935 -0.000 -8.856) 9.330 8.847 ( -2.935 0.000 8.856) 9.330 9.221 ( 0.468 -0.000 -6.589) 6.606 9.221 ( -0.468 0.000 6.589) 6.606 9.716 ( 1.277 -0.000 -3.313) 3.550 9.716 ( -1.277 0.000 3.313) 3.550 10.101 ( -2.071 0.000 -3.079) 3.711 10.101 ( 2.071 -0.000 3.079) 3.711 10.357 ( 2.766 -0.000 -4.520) 5.299 10.357 ( -2.766 0.000 4.520) 5.299 10.854 ( 7.226 -0.000 -2.829) 7.760 10.854 ( -7.226 0.000 2.829) 7.760 11.059 ( -8.538 0.000 -3.067) 9.072 11.059 ( 8.538 -0.000 3.067) 9.072 12.343 ( -1.768 0.000 -1.620) 2.398 12.343 ( 1.768 -0.000 1.620) 2.398 13.004 ( 0.178 -0.000 -0.843) 0.862 13.004 ( -0.178 0.000 0.843) 0.862 13.374 ( -0.038 0.000 -6.236) 6.236 13.374 ( 0.038 -0.000 6.236) 6.236 13.639 ( 5.457 -0.000 -3.104) 6.278 13.639 ( -5.457 0.000 3.104) 6.278 13.934 ( -22.544 0.000 1.964) 22.630 13.934 ( 22.544 -0.000 -1.964) 22.630 14.321 ( -1.181 0.000 -1.157) 1.653 14.321 ( 1.181 -0.000 1.157) 1.653 14.738 ( -6.209 0.000 -1.871) 6.484 14.738 ( 6.209 -0.000 1.871) 6.484 15.212 ( -3.918 0.000 1.132) 4.078 15.212 ( 3.918 -0.000 -1.132) 4.078 15.357 ( -9.463 0.000 2.487) 9.784 15.357 ( 9.463 -0.000 -2.487) 9.784 16.648 ( -3.016 0.000 -0.716) 3.100 16.648 ( 3.016 -0.000 0.716) 3.100 16.836 ( -3.168 0.000 -2.439) 3.998 16.836 ( 3.168 -0.000 2.439) 3.998 17.018 ( -0.297 0.000 -2.134) 2.155 17.018 ( 0.297 -0.000 2.134) 2.155 17.387 ( -4.343 0.000 -5.241) 6.807 17.387 ( 4.343 -0.000 5.241) 6.807 19.701 ( 2.044 -0.000 -1.847) 2.755 19.701 ( -2.044 0.000 1.847) 2.755 21.583 ( 1.258 -0.000 -2.134) 2.477 21.583 ( -1.258 0.000 2.134) 2.477 23.181 ( 0.189 -0.000 -5.310) 5.314 23.181 ( -0.189 0.000 5.310) 5.314 28.209 ( -19.290 0.000 0.932) 19.312 28.209 ( 19.290 -0.000 -0.932) 19.312 29.575 ( 12.896 -0.000 -4.498) 13.657 29.575 ( -12.896 0.000 4.498) 13.657 30.012 ( 0.099 -0.000 -4.015) 4.017 30.012 ( -0.099 0.000 4.015) 4.017 31.011 ( 7.306 -0.000 -4.278) 8.466 31.011 ( -7.306 0.000 4.278) 8.466 31.145 ( -0.651 0.000 -0.856) 1.076 31.145 ( 0.651 -0.000 0.856) 1.076 31.962 ( -0.806 0.000 -1.792) 1.965 31.962 ( 0.806 -0.000 1.792) 1.965 32.196 ( -0.017 0.000 -3.970) 3.970 32.196 ( 0.017 -0.000 3.970) 3.970 32.342 ( -0.423 0.000 -0.191) 0.465 32.342 ( 0.423 -0.000 0.191) 0.465 32.443 ( -10.792 0.000 -0.791) 10.821 32.443 ( 10.792 -0.000 0.791) 10.821 34.407 ( -1.042 0.000 -2.344) 2.565 34.407 ( 1.042 -0.000 2.344) 2.565 35.571 ( -10.107 0.000 -3.413) 10.668 35.571 ( 10.107 -0.000 3.413) 10.668 35.902 ( -2.963 0.000 -1.245) 3.214 35.902 ( 2.963 -0.000 1.245) 3.214 37.790 ( -5.671 0.000 -1.201) 5.797 37.790 ( 5.671 -0.000 1.201) 5.797 ======================= Grid point 170 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 5.054 -6.292 -20.401) 21.939 1.280 ( 7.794 -10.024 -16.422) 20.758 1.376 ( 3.245 -10.572 17.475) 20.680 1.472 ( 18.376 -6.152 19.291) 27.344 2.334 ( 9.430 -4.937 -26.507) 28.564 2.375 ( -3.069 -2.368 23.066) 23.389 2.812 ( -4.225 -1.854 -9.403) 10.474 2.961 ( 0.271 4.798 4.206) 6.387 3.127 ( 0.976 1.076 -0.265) 1.477 3.166 ( 4.790 -0.633 3.287) 5.844 3.398 ( -2.194 -0.991 1.379) 2.775 3.445 ( -3.051 -3.652 5.324) 7.141 3.492 ( 2.386 0.753 -4.611) 5.247 3.585 ( 7.512 -1.517 -2.637) 8.105 3.879 ( -0.636 -3.837 -6.366) 7.460 3.907 ( 0.758 -6.063 2.943) 6.782 3.953 ( -5.676 -0.082 4.432) 7.202 4.071 ( 7.429 -1.311 0.637) 7.571 4.220 ( -4.656 -3.656 -6.229) 8.593 4.317 ( 0.397 -1.167 2.836) 3.093 4.530 ( -1.351 2.559 -0.433) 2.926 4.564 ( 2.209 -0.930 3.751) 4.451 4.663 ( -0.556 -0.669 -0.369) 0.945 4.724 ( 2.352 -1.615 3.032) 4.163 4.849 ( -0.706 -2.578 1.149) 2.910 4.901 ( 4.903 -4.440 -3.431) 7.452 5.289 ( -7.975 1.944 8.137) 11.558 5.376 ( 3.735 1.907 -5.595) 6.992 5.513 ( -1.568 -1.503 -7.932) 8.224 5.641 ( 6.050 -6.662 4.932) 10.262 6.111 ( -8.014 3.858 -0.672) 8.919 6.152 ( -3.560 2.181 -1.094) 4.316 6.459 ( -6.323 2.631 1.873) 7.100 6.528 ( 1.171 -1.250 -0.208) 1.725 7.321 ( -8.025 -0.114 0.192) 8.028 7.487 ( 8.722 2.435 0.050) 9.055 7.637 ( -1.053 2.354 -4.746) 5.402 7.660 ( -1.211 1.944 5.062) 5.556 8.238 ( -1.717 4.835 -4.275) 6.678 8.299 ( 1.358 1.687 5.615) 6.018 8.664 ( -9.005 1.403 -1.611) 9.255 8.746 ( -3.867 -0.686 5.356) 6.642 8.844 ( 1.103 0.286 -9.942) 10.007 8.871 ( -0.147 -2.103 3.481) 4.069 9.126 ( -0.693 7.205 -2.500) 7.658 9.128 ( -2.217 8.523 -0.051) 8.807 9.644 ( -2.375 5.830 -0.880) 6.356 9.667 ( -1.264 4.198 2.664) 5.130 10.072 ( -5.340 -0.463 -3.056) 6.170 10.146 ( 1.142 -1.929 2.343) 3.243 10.339 ( -4.870 0.000 4.151) 6.399 10.393 ( 2.925 -2.460 -2.371) 4.497 10.814 ( -3.529 -0.164 1.007) 3.674 10.942 ( 10.984 -0.990 -3.388) 11.537 11.003 ( -5.961 -2.508 -2.376) 6.889 11.182 ( 10.444 -2.716 3.001) 11.201 12.270 ( -5.601 3.356 -1.435) 6.685 12.309 ( -2.994 3.406 0.717) 4.591 12.914 ( -6.806 4.807 1.116) 8.406 12.995 ( 0.254 0.936 0.015) 0.970 13.331 ( -2.473 1.960 -4.608) 5.585 13.374 ( -0.366 1.762 2.839) 3.361 13.590 ( -4.974 -0.305 1.532) 5.214 13.647 ( 1.365 0.594 -1.543) 2.144 13.852 ( -6.163 -3.402 5.540) 8.958 14.112 ( 15.151 5.708 0.636) 16.203 14.327 ( -1.486 -3.078 -0.525) 3.458 14.467 ( 7.774 -8.583 4.101) 12.285 14.767 ( 10.424 -3.756 -3.580) 11.644 14.864 ( 11.371 -4.011 -1.514) 12.152 15.162 ( 1.637 4.009 1.612) 4.621 15.242 ( 8.519 2.125 -1.338) 8.881 15.321 ( -3.635 -1.906 2.601) 4.859 15.473 ( 11.061 -2.178 -2.374) 11.521 16.609 ( -4.340 -0.004 -1.032) 4.461 16.671 ( 1.177 -0.141 0.336) 1.232 16.803 ( -2.514 -0.588 -1.352) 2.915 16.867 ( 1.751 0.007 3.749) 4.137 17.010 ( -0.597 0.038 -1.955) 2.045 17.042 ( 1.768 -1.197 -0.162) 2.141 17.311 ( -5.618 1.310 -0.805) 5.825 17.395 ( 0.804 3.674 4.351) 5.751 19.699 ( 0.905 0.049 0.619) 1.098 19.730 ( 4.660 -0.140 -0.738) 4.720 21.556 ( -2.122 2.155 2.147) 3.709 21.570 ( 0.197 1.748 -1.888) 2.580 23.160 ( -4.086 -1.415 -2.495) 4.992 23.181 ( -3.964 -1.112 2.728) 4.939 28.041 ( -11.445 2.289 5.845) 13.053 28.313 ( 16.320 9.758 1.570) 19.080 29.476 ( -8.502 -1.450 -1.749) 8.800 29.655 ( 9.280 2.037 -2.925) 9.941 29.955 ( -0.270 3.675 -5.002) 6.213 29.985 ( -0.125 2.860 4.546) 5.372 30.947 ( -3.580 0.112 4.899) 6.069 31.001 ( 4.519 1.637 -4.028) 6.271 31.271 ( -4.987 -12.445 -1.586) 13.501 31.394 ( 3.868 -17.397 6.468) 18.959 31.909 ( 0.111 4.544 -3.215) 5.567 31.956 ( 2.209 3.069 4.785) 6.098 32.210 ( -7.343 -3.114 -0.575) 7.996 32.213 ( -3.391 -4.525 -2.189) 6.064 32.333 ( 3.058 -0.330 1.097) 3.265 32.341 ( 0.686 0.097 -0.204) 0.722 32.445 ( 2.312 -3.911 -1.845) 4.904 32.613 ( 15.946 -4.158 -3.554) 16.858 34.415 ( -1.316 -3.271 -3.413) 4.907 34.449 ( -0.287 -3.521 3.799) 5.188 35.434 ( -9.607 4.902 -0.075) 10.786 35.649 ( 11.316 4.339 3.942) 12.744 35.838 ( -6.589 1.303 -2.275) 7.091 35.943 ( 3.342 -1.798 1.115) 3.955 37.436 ( -17.915 24.310 -8.276) 31.312 37.687 ( 4.238 14.078 1.137) 14.746 ======================= Grid point 171 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 16.739 -8.848 -10.351) 21.579 1.578 ( 11.497 -17.774 -11.950) 24.309 1.682 ( 4.221 -15.582 10.556) 19.289 1.770 ( 12.317 -5.526 13.673) 19.214 2.376 ( -6.395 2.066 3.836) 7.738 2.479 ( 7.453 -7.647 -9.462) 14.267 2.840 ( -4.304 4.578 -4.453) 7.702 2.882 ( 4.689 -6.053 3.726) 8.515 3.124 ( 0.316 0.867 -2.663) 2.819 3.212 ( 1.541 -0.211 0.825) 1.761 3.394 ( 2.810 1.662 -6.359) 7.148 3.477 ( -6.551 -4.814 6.428) 10.364 3.538 ( 5.572 -0.801 -2.832) 6.301 3.666 ( 8.938 -0.727 -1.077) 9.032 3.894 ( -2.422 -3.389 -0.631) 4.213 3.973 ( -0.740 -3.668 -2.269) 4.377 4.053 ( 2.443 -6.925 4.767) 8.755 4.185 ( 6.735 -2.382 4.649) 8.523 4.236 ( -3.117 -5.642 -3.336) 7.258 4.336 ( -0.707 1.109 3.197) 3.457 4.506 ( 0.304 -2.445 -2.018) 3.185 4.600 ( -2.048 -2.375 3.056) 4.379 4.715 ( 3.178 -3.239 1.030) 4.653 4.796 ( 4.087 -1.800 3.016) 5.388 4.854 ( -4.125 -0.737 2.120) 4.696 5.033 ( 3.549 -6.983 -3.129) 8.435 5.188 ( -3.496 5.558 -0.835) 6.619 5.365 ( 3.152 3.061 3.913) 5.883 5.483 ( -2.547 -0.431 -10.597) 10.908 5.806 ( 2.659 -2.753 5.683) 6.851 5.944 ( -10.506 2.481 0.815) 10.825 6.056 ( -5.613 2.884 -3.957) 7.449 6.324 ( -9.549 4.806 3.382) 11.212 6.557 ( 1.163 -0.750 -0.503) 1.472 7.272 ( -4.757 -1.032 1.105) 4.992 7.472 ( 2.587 4.724 2.340) 5.872 7.571 ( -1.603 1.649 -5.473) 5.936 7.664 ( 2.646 0.362 4.485) 5.220 8.102 ( -3.038 7.002 -4.314) 8.768 8.294 ( 0.287 3.050 4.849) 5.735 8.531 ( -9.161 1.327 -2.322) 9.543 8.711 ( -7.808 -0.308 3.044) 8.386 8.798 ( 0.537 2.921 -5.753) 6.474 8.912 ( 0.712 -1.135 1.909) 2.332 8.994 ( 3.583 5.792 -5.471) 8.735 9.014 ( 2.704 6.504 0.001) 7.044 9.505 ( -3.081 6.923 -1.424) 7.710 9.587 ( -2.441 4.435 3.674) 6.255 9.991 ( -7.588 1.253 -2.340) 8.039 10.176 ( 0.389 0.308 0.568) 0.754 10.281 ( -7.218 1.234 3.953) 8.322 10.467 ( 3.290 -2.859 -1.058) 4.485 10.797 ( -1.297 -0.848 -0.081) 1.552 10.991 ( 0.576 -0.683 -2.871) 3.007 11.077 ( 7.335 -4.034 -1.390) 8.486 11.352 ( 10.684 -4.211 2.440) 11.740 12.140 ( -6.004 4.651 -1.012) 7.662 12.200 ( -5.087 4.386 0.675) 6.750 12.777 ( -5.559 4.553 1.672) 7.377 12.976 ( -0.192 1.753 -0.830) 1.949 13.244 ( -2.545 3.121 -4.420) 5.979 13.324 ( -0.631 4.203 3.346) 5.409 13.564 ( -2.867 -1.248 0.614) 3.187 13.686 ( 2.142 -2.770 0.788) 3.589 13.884 ( -1.317 -1.821 3.239) 3.942 14.085 ( 2.593 4.382 -2.777) 5.800 14.389 ( 1.843 -3.297 0.465) 3.806 14.597 ( -0.163 -3.282 0.882) 3.402 14.922 ( 0.680 -2.237 0.712) 2.444 15.080 ( 8.901 -5.426 -2.009) 10.616 15.174 ( 16.657 0.262 0.999) 16.689 15.321 ( 9.004 -1.937 1.217) 9.290 15.377 ( 10.807 -0.680 1.748) 10.969 15.603 ( 10.432 -1.590 -1.714) 10.691 16.574 ( -3.884 -1.594 -3.061) 5.195 16.670 ( -2.206 -0.367 -0.559) 2.305 16.812 ( 0.111 -1.599 0.632) 1.723 16.900 ( 1.528 -0.753 4.768) 5.064 16.996 ( 0.308 0.311 -2.816) 2.850 17.076 ( 1.592 -0.557 0.047) 1.687 17.252 ( -4.206 0.276 1.694) 4.542 17.332 ( -1.574 3.542 1.142) 4.041 19.720 ( 2.635 -0.498 -0.533) 2.734 19.785 ( 5.256 -0.775 0.103) 5.313 21.484 ( -3.174 4.134 2.370) 5.726 21.517 ( -1.409 3.014 -2.174) 3.974 23.143 ( -5.315 -1.959 2.122) 6.049 23.166 ( -4.115 -1.592 -1.391) 4.626 27.957 ( -5.030 0.919 5.753) 7.697 28.222 ( 7.108 12.023 -2.785) 14.242 29.479 ( -0.854 -4.732 -4.984) 6.926 29.674 ( 2.858 1.840 0.744) 3.480 29.882 ( 0.381 3.700 -0.768) 3.798 29.980 ( 3.220 0.759 1.262) 3.541 30.958 ( -1.712 -2.362 3.456) 4.523 31.033 ( 3.624 -1.321 -2.986) 4.878 31.397 ( -6.112 -9.895 -3.658) 12.192 31.662 ( -1.597 -8.824 6.178) 10.890 31.828 ( -0.088 3.466 1.813) 3.913 31.933 ( 2.418 3.850 5.018) 6.771 32.154 ( -8.406 -1.195 -3.125) 9.047 32.260 ( -4.860 -4.156 1.743) 6.628 32.351 ( 2.584 -1.029 -1.261) 3.054 32.413 ( 3.652 -2.911 0.996) 4.776 32.559 ( 8.499 -3.033 -1.756) 9.193 32.828 ( 13.509 -5.014 -2.282) 14.589 34.465 ( -0.791 -5.327 -5.510) 7.705 34.540 ( -1.909 -6.920 6.461) 9.658 35.235 ( -8.685 7.956 1.055) 11.825 35.652 ( 6.744 6.020 -1.998) 9.259 35.764 ( 0.055 2.545 -0.875) 2.692 36.031 ( 6.248 -2.380 1.451) 6.842 36.784 ( -20.838 24.683 -8.318) 33.356 37.494 ( 5.719 13.783 0.639) 14.936 ======================= Grid point 172 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 15.342 -8.502 -3.666) 17.919 1.926 ( 15.289 -7.004 -3.381) 17.153 1.973 ( -2.112 -14.278 6.769) 15.941 2.005 ( 7.851 -10.841 2.805) 13.676 2.258 ( -8.007 1.766 -5.540) 9.896 2.518 ( -2.914 7.213 7.206) 10.604 2.866 ( 1.036 -11.838 -3.375) 12.353 3.022 ( -1.947 -3.414 8.235) 9.125 3.104 ( 6.148 -0.936 -10.982) 12.621 3.205 ( -0.429 2.881 0.740) 3.005 3.358 ( 0.155 -0.183 -13.280) 13.282 3.487 ( -3.390 -0.103 3.532) 4.896 3.587 ( 4.143 -0.547 0.132) 4.181 3.782 ( 6.658 -2.781 0.575) 7.238 3.929 ( -3.640 -0.813 -5.868) 6.953 4.039 ( 6.415 -3.962 7.431) 10.586 4.172 ( 2.199 3.291 3.857) 5.527 4.238 ( -0.206 -0.487 1.319) 1.421 4.326 ( 2.356 -7.691 1.894) 8.264 4.378 ( 4.837 -7.239 3.046) 9.224 4.615 ( 4.166 -6.354 -0.168) 7.600 4.676 ( -0.342 -6.688 -0.250) 6.702 4.769 ( 1.840 1.508 -1.358) 2.740 4.773 ( -0.564 3.995 0.236) 4.041 4.918 ( -1.555 -7.193 3.137) 8.000 5.041 ( -3.660 4.266 -4.960) 7.496 5.132 ( -0.811 1.434 3.890) 4.225 5.335 ( 1.642 2.955 1.924) 3.889 5.459 ( -0.299 -1.827 -3.825) 4.249 5.687 ( -14.845 3.794 -2.921) 15.598 5.939 ( -2.833 1.870 0.149) 3.398 5.961 ( 1.913 0.609 1.316) 2.401 6.178 ( -6.498 3.364 1.996) 7.585 6.565 ( 0.319 0.550 -0.292) 0.700 7.262 ( -1.862 -1.012 -0.097) 2.121 7.447 ( 0.464 0.843 5.142) 5.232 7.538 ( -1.518 -1.645 -4.811) 5.306 7.692 ( 2.089 0.981 3.850) 4.489 7.931 ( -2.639 8.320 -3.327) 9.341 8.187 ( -4.333 6.989 0.126) 8.224 8.505 ( -1.281 -4.041 -2.699) 5.025 8.652 ( -5.940 -0.327 1.075) 6.045 8.738 ( -0.025 3.055 -1.167) 3.271 8.881 ( 1.778 6.220 2.218) 6.839 8.969 ( 3.597 1.817 0.172) 4.034 9.002 ( 5.294 -1.351 -4.215) 6.901 9.355 ( -3.435 6.628 -0.594) 7.489 9.491 ( -4.195 4.236 1.221) 6.085 9.894 ( -6.583 1.386 -0.691) 6.763 10.139 ( -1.176 3.212 0.315) 3.435 10.206 ( -5.949 0.924 1.837) 6.295 10.521 ( 1.711 -0.715 -0.381) 1.893 10.831 ( 0.963 -3.373 0.307) 3.521 10.996 ( 0.823 0.291 -1.951) 2.137 11.202 ( 6.112 -3.272 -0.788) 6.977 11.517 ( 8.349 -3.435 1.253) 9.114 12.018 ( -4.051 3.324 -0.825) 5.304 12.098 ( -3.526 2.739 0.983) 4.571 12.674 ( -3.621 3.054 1.389) 4.936 12.917 ( -3.003 2.796 -1.477) 4.361 13.181 ( -0.475 1.465 -2.135) 2.633 13.259 ( -0.267 3.796 2.663) 4.645 13.585 ( 0.555 -1.997 0.391) 2.109 13.755 ( 1.487 -2.356 1.821) 3.329 13.881 ( -0.287 1.432 -1.246) 1.920 14.050 ( -0.353 0.117 -1.326) 1.377 14.458 ( 1.464 -2.749 0.104) 3.117 14.626 ( -0.649 -0.636 0.987) 1.341 14.924 ( -2.713 -0.312 2.541) 3.730 15.091 ( -0.155 1.148 -3.882) 4.051 15.393 ( 8.408 -4.287 -1.034) 9.494 15.486 ( 12.646 -3.720 2.123) 13.352 15.528 ( 14.546 -0.517 2.093) 14.705 15.710 ( 7.467 -1.816 -1.383) 7.808 16.578 ( -0.981 -3.024 -6.245) 7.007 16.645 ( -4.182 -0.472 1.978) 4.651 16.829 ( -0.470 0.448 1.204) 1.368 16.950 ( 2.209 -1.877 1.125) 3.110 17.003 ( 2.040 -0.526 0.531) 2.172 17.086 ( 0.861 0.707 0.849) 1.401 17.228 ( -2.049 0.148 1.670) 2.647 17.271 ( -2.683 1.174 -0.315) 2.945 19.760 ( 3.009 -1.099 -0.742) 3.288 19.848 ( 4.114 -1.135 0.441) 4.291 21.382 ( -3.528 4.583 1.920) 6.095 21.441 ( -2.029 2.957 -1.876) 4.048 23.137 ( -4.238 -1.556 4.441) 6.332 23.153 ( -2.250 -1.387 -3.735) 4.576 27.935 ( -2.071 -0.254 3.933) 4.452 28.087 ( 2.463 7.782 -3.721) 8.970 29.543 ( 1.009 -3.181 -5.424) 6.369 29.670 ( -0.419 -0.492 1.831) 1.942 29.847 ( 1.594 1.817 2.168) 3.247 30.007 ( 4.023 0.814 0.199) 4.109 30.998 ( -0.826 -2.553 1.865) 3.268 31.078 ( 2.435 -1.173 -1.972) 3.346 31.474 ( -5.509 -7.623 -3.750) 10.125 31.676 ( 0.003 3.428 -2.360) 4.161 31.846 ( -3.182 -3.282 9.006) 10.100 31.912 ( 3.126 3.056 3.080) 5.347 32.085 ( -6.377 -0.147 -2.621) 6.896 32.248 ( -5.041 -0.454 1.597) 5.308 32.421 ( 3.112 -3.076 0.026) 4.376 32.487 ( 2.219 -2.300 -0.065) 3.197 32.663 ( 7.097 -0.892 -2.270) 7.505 32.998 ( 8.081 -2.970 0.996) 8.667 34.541 ( 0.201 -6.055 -5.682) 8.306 34.673 ( -3.323 -8.758 6.769) 11.557 35.049 ( -4.258 6.212 1.678) 7.716 35.574 ( 3.414 7.622 -7.448) 11.191 35.730 ( 5.454 5.341 0.569) 7.655 36.125 ( 8.907 1.176 -1.090) 9.050 36.258 ( -20.746 10.860 0.018) 23.417 37.354 ( 4.395 8.948 0.169) 9.971 ======================= Grid point 173 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 6.140 -5.017 -0.961) 7.987 2.035 ( 4.682 3.304 4.705) 7.414 2.171 ( -1.577 -8.005 2.336) 8.487 2.192 ( -1.380 -2.048 -7.975) 8.349 2.223 ( 4.313 -4.573 -0.435) 6.301 2.383 ( -3.235 3.461 2.852) 5.530 2.914 ( -3.718 3.401 2.422) 5.592 3.133 ( -0.273 -4.361 1.986) 4.799 3.149 ( 2.087 -0.659 2.943) 3.667 3.226 ( 4.221 -7.289 -6.279) 10.506 3.325 ( -1.061 -0.183 -11.189) 11.241 3.461 ( -1.400 2.448 5.892) 6.532 3.621 ( 1.529 0.076 -0.221) 1.547 3.865 ( 3.182 -1.336 0.400) 3.474 3.883 ( -0.449 -1.374 -8.246) 8.372 3.992 ( -6.273 7.661 11.216) 14.961 4.224 ( 1.353 -0.481 0.357) 1.479 4.314 ( 9.467 -4.977 -1.258) 10.769 4.519 ( 3.580 -6.271 0.868) 7.273 4.543 ( 4.631 -4.325 0.973) 6.411 4.638 ( -0.611 4.028 -3.669) 5.482 4.691 ( -4.161 4.318 0.875) 6.060 4.781 ( 2.640 -6.335 4.090) 7.989 4.814 ( 1.592 -5.093 0.045) 5.336 4.965 ( -1.958 5.632 1.903) 6.259 4.977 ( -4.530 0.744 -2.862) 5.410 5.078 ( 5.473 -4.182 -1.110) 6.977 5.269 ( -8.976 6.108 2.453) 11.130 5.485 ( 2.438 0.215 0.177) 2.454 5.525 ( -7.044 -1.091 -2.197) 7.459 5.913 ( 1.210 -1.162 -1.355) 2.157 5.958 ( 0.126 2.618 1.616) 3.079 6.110 ( -1.858 0.690 0.098) 1.985 6.549 ( -0.404 0.803 -0.088) 0.904 7.265 ( -0.247 -0.462 -0.365) 0.639 7.477 ( 1.145 -1.391 2.410) 3.009 7.562 ( -1.537 -3.046 -2.265) 4.095 7.677 ( -1.033 2.205 2.635) 3.588 7.794 ( 0.258 4.604 -1.461) 4.837 8.054 ( -2.057 3.623 -0.601) 4.209 8.562 ( 0.284 -3.042 -4.276) 5.255 8.628 ( -2.451 -1.257 2.110) 3.470 8.690 ( 0.262 2.692 0.606) 2.772 8.813 ( 0.693 3.205 1.638) 3.666 9.001 ( 4.503 -0.863 0.354) 4.598 9.049 ( -0.272 -0.318 -1.782) 1.831 9.250 ( 0.552 2.644 -0.320) 2.720 9.385 ( -4.355 2.724 0.058) 5.137 9.830 ( -2.633 0.551 0.032) 2.690 10.086 ( -0.725 1.450 0.207) 1.634 10.152 ( -2.406 0.755 0.347) 2.546 10.530 ( 0.375 0.245 -0.155) 0.474 10.911 ( 1.116 -4.030 1.065) 4.315 10.976 ( 0.179 2.331 -1.529) 2.793 11.282 ( 2.331 -1.281 -0.169) 2.665 11.613 ( 3.075 -1.071 0.227) 3.264 11.957 ( -1.266 0.935 -0.283) 1.599 12.053 ( -0.940 0.624 0.486) 1.228 12.619 ( -1.236 1.060 0.541) 1.716 12.847 ( -1.961 1.419 -0.666) 2.510 13.163 ( 0.004 0.351 -0.525) 0.632 13.217 ( -0.043 1.492 1.002) 1.798 13.624 ( 0.810 -1.103 0.216) 1.385 13.786 ( 0.143 0.084 1.310) 1.320 13.858 ( 0.272 0.184 -1.850) 1.879 14.052 ( -0.235 -0.438 -0.136) 0.515 14.504 ( 0.627 -1.397 -0.292) 1.558 14.620 ( -0.678 0.479 0.905) 1.228 14.915 ( -0.810 -0.105 0.827) 1.163 15.065 ( -0.238 0.597 -1.157) 1.323 15.499 ( 2.287 -2.491 -0.191) 3.387 15.607 ( 4.069 -1.723 -1.366) 4.625 15.627 ( 5.329 1.583 2.240) 5.994 15.795 ( 3.614 -1.499 -0.565) 3.953 16.587 ( -0.225 -0.360 -4.125) 4.146 16.652 ( -1.356 -2.361 2.486) 3.687 16.802 ( -0.662 1.594 0.258) 1.745 16.990 ( 0.749 -0.880 -0.948) 1.495 17.049 ( 1.960 -1.258 2.953) 3.760 17.081 ( 0.621 0.767 -0.907) 1.340 17.200 ( -1.677 1.013 1.211) 2.303 17.249 ( -0.975 -0.418 -0.618) 1.228 19.797 ( 1.449 -0.658 -0.356) 1.631 19.893 ( 1.560 -0.548 0.277) 1.676 21.299 ( -1.685 2.106 0.687) 2.783 21.385 ( -0.956 1.265 -0.701) 1.733 23.138 ( -1.824 -0.598 3.096) 3.643 23.147 ( -0.404 -0.545 -2.822) 2.902 27.944 ( -0.804 -1.249 2.230) 2.679 27.998 ( 0.821 3.596 -2.340) 4.368 29.555 ( -0.204 -0.074 -1.984) 1.995 29.700 ( 0.137 -1.592 0.487) 1.671 29.852 ( 0.912 0.219 1.180) 1.508 30.022 ( 1.765 0.745 0.132) 1.920 31.028 ( -0.276 -1.107 0.464) 1.232 31.102 ( 0.866 -0.294 -0.664) 1.130 31.536 ( -3.588 -6.472 -3.553) 8.209 31.604 ( 1.350 5.427 1.608) 5.819 31.885 ( -1.592 -1.978 3.622) 4.423 31.907 ( 2.358 1.613 0.497) 2.900 32.031 ( -3.072 0.182 -1.077) 3.261 32.215 ( -2.077 0.212 0.500) 2.147 32.482 ( 1.191 -1.350 0.229) 1.815 32.528 ( 0.834 -0.865 -0.131) 1.209 32.710 ( 2.576 -0.052 -1.155) 2.824 33.082 ( 2.558 -0.827 0.869) 2.825 34.634 ( 1.792 -5.230 -3.808) 6.713 34.733 ( -4.319 0.374 3.005) 5.275 35.019 ( 0.238 -3.618 4.379) 5.686 35.415 ( 1.724 9.676 -6.614) 11.846 35.695 ( 1.949 2.569 0.296) 3.238 36.003 ( -5.143 2.791 -0.150) 5.854 36.199 ( 0.757 -1.182 1.169) 1.827 37.281 ( 1.558 3.105 0.031) 3.474 ======================= Grid point 179 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 15.980 -0.000 -6.236) 17.154 1.202 ( 11.095 -0.000 -25.636) 27.934 1.406 ( 9.579 -0.000 16.193) 18.814 1.694 ( 19.467 -0.000 17.174) 25.960 2.323 ( 16.169 -0.000 -36.003) 39.467 2.431 ( 1.756 -0.000 26.317) 26.376 2.756 ( 3.056 -0.000 -4.648) 5.562 3.019 ( -0.627 0.000 -3.000) 3.064 3.119 ( -5.382 0.000 10.888) 12.146 3.222 ( 5.392 -0.000 -3.626) 6.498 3.352 ( -7.729 0.000 11.583) 13.925 3.391 ( 0.835 -0.000 -5.858) 5.917 3.542 ( 6.044 -0.000 -6.576) 8.932 3.638 ( 6.635 -0.000 -2.712) 7.168 3.817 ( -2.743 0.000 1.995) 3.391 3.848 ( 2.909 -0.000 -7.231) 7.794 3.933 ( -5.464 0.000 12.730) 13.853 4.135 ( 8.641 -0.000 -1.648) 8.796 4.164 ( 2.826 -0.000 -4.267) 5.118 4.308 ( -1.493 0.000 1.724) 2.281 4.537 ( -3.017 0.000 0.098) 3.018 4.570 ( 0.146 -0.000 4.523) 4.526 4.679 ( 4.609 -0.000 -5.049) 6.836 4.713 ( -3.465 0.000 9.430) 10.047 4.853 ( 5.085 -0.000 -2.171) 5.528 4.907 ( 5.402 -0.000 -3.503) 6.438 5.259 ( -6.351 0.000 13.821) 15.210 5.364 ( -1.095 0.000 -6.180) 6.276 5.554 ( 6.789 -0.000 -13.346) 14.974 5.592 ( 2.703 -0.000 4.318) 5.094 6.065 ( -10.036 0.000 -1.865) 10.208 6.099 ( -9.061 0.000 -0.455) 9.072 6.448 ( -5.417 0.000 -4.536) 7.065 6.464 ( -7.760 0.000 6.825) 10.334 7.247 ( -6.909 0.000 1.839) 7.150 7.594 ( 5.895 -0.000 1.277) 6.032 7.638 ( 1.912 -0.000 -5.823) 6.129 7.675 ( -1.946 0.000 4.273) 4.696 8.267 ( -1.697 0.000 -7.067) 7.268 8.315 ( -2.353 0.000 8.859) 9.166 8.587 ( -10.378 0.000 -1.424) 10.476 8.677 ( -11.019 0.000 5.846) 12.474 8.826 ( 1.108 -0.000 -8.606) 8.677 8.846 ( -0.451 0.000 -0.828) 0.943 9.156 ( -5.280 0.000 -3.463) 6.314 9.160 ( -1.782 0.000 -2.283) 2.896 9.672 ( -3.684 0.000 -2.310) 4.348 9.674 ( -4.985 0.000 5.135) 7.157 10.005 ( -6.410 0.000 -2.180) 6.771 10.140 ( 0.640 -0.000 1.527) 1.655 10.323 ( -3.791 0.000 6.898) 7.871 10.381 ( 3.062 -0.000 -4.053) 5.080 10.800 ( -0.340 0.000 -0.821) 0.889 10.929 ( -2.213 0.000 -1.370) 2.602 11.040 ( 11.692 -0.000 -3.876) 12.318 11.271 ( 11.214 -0.000 3.235) 11.671 12.229 ( -7.655 0.000 -1.625) 7.826 12.290 ( -6.782 0.000 0.057) 6.782 12.931 ( -4.467 0.000 -0.983) 4.574 12.939 ( -5.174 0.000 3.122) 6.043 13.290 ( -4.978 0.000 -7.238) 8.785 13.370 ( -4.027 0.000 4.950) 6.381 13.552 ( -3.223 0.000 0.114) 3.225 13.659 ( 1.119 -0.000 1.688) 2.025 13.834 ( 2.559 -0.000 2.504) 3.580 14.317 ( 1.144 -0.000 -4.721) 4.858 14.391 ( 5.865 -0.000 1.536) 6.063 14.432 ( 16.746 -0.000 7.131) 18.201 14.895 ( 20.637 -0.000 1.895) 20.724 14.896 ( 3.405 -0.000 0.219) 3.412 15.233 ( -1.404 0.000 8.393) 8.509 15.323 ( 19.585 -0.000 -8.000) 21.156 15.398 ( 13.107 -0.000 2.208) 13.291 15.551 ( 11.945 -0.000 -2.550) 12.214 16.561 ( -5.746 0.000 -0.442) 5.763 16.661 ( -3.349 0.000 -0.030) 3.349 16.782 ( 0.376 -0.000 0.371) 0.528 16.885 ( 0.167 -0.000 3.142) 3.146 17.009 ( 1.072 -0.000 -4.108) 4.246 17.040 ( 0.866 -0.000 1.281) 1.546 17.255 ( -6.830 0.000 -0.295) 6.836 17.440 ( -3.731 0.000 8.476) 9.261 19.727 ( 3.234 -0.000 2.147) 3.882 19.795 ( 8.958 -0.000 -1.346) 9.059 21.559 ( -2.594 0.000 1.966) 3.255 21.571 ( -2.073 0.000 -1.362) 2.480 23.080 ( -6.243 0.000 -5.361) 8.229 23.117 ( -8.720 0.000 4.981) 10.043 27.981 ( -8.047 0.000 6.995) 10.662 28.583 ( 8.557 -0.000 12.159) 14.868 29.388 ( -2.503 0.000 -4.319) 4.992 29.766 ( 10.391 -0.000 -5.988) 11.993 29.963 ( -2.492 0.000 -3.846) 4.583 30.014 ( -1.609 0.000 3.717) 4.050 30.937 ( -3.427 0.000 6.033) 6.938 31.099 ( 1.321 -0.000 2.040) 2.431 31.139 ( 0.508 -0.000 -1.772) 1.843 31.195 ( 4.115 -0.000 -1.760) 4.475 31.963 ( 0.738 -0.000 0.217) 0.769 32.015 ( 2.870 -0.000 2.105) 3.559 32.109 ( -5.827 0.000 -0.169) 5.829 32.135 ( -2.971 0.000 -3.947) 4.940 32.356 ( 2.312 -0.000 -0.033) 2.312 32.359 ( 2.361 -0.000 -0.296) 2.379 32.485 ( 13.369 -0.000 2.065) 13.528 32.716 ( 15.920 -0.000 -7.193) 17.469 34.365 ( -1.750 0.000 -1.578) 2.356 34.421 ( -0.991 0.000 2.191) 2.405 35.398 ( -8.506 0.000 2.008) 8.739 35.728 ( -11.901 0.000 -0.914) 11.936 35.842 ( 12.294 -0.000 3.598) 12.809 35.933 ( 1.344 -0.000 0.951) 1.646 37.506 ( -15.944 0.000 -14.500) 21.551 37.739 ( -9.347 0.000 1.077) 9.408 ======================= Grid point 180 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 9.679 -10.180 -5.420) 15.056 1.357 ( 16.757 -10.346 -9.894) 22.039 1.606 ( 14.683 -4.664 8.618) 17.653 1.885 ( 9.109 -2.249 8.336) 12.551 2.390 ( 13.129 -0.007 -26.710) 29.762 2.515 ( 10.260 2.756 9.778) 14.439 2.833 ( -0.880 -0.011 12.760) 12.791 2.950 ( 5.223 2.884 -3.422) 6.878 3.115 ( -2.410 -0.737 -0.529) 2.575 3.233 ( 1.966 0.954 -0.522) 2.247 3.355 ( -5.793 -3.847 8.084) 10.664 3.398 ( 1.099 -1.043 -8.685) 8.816 3.588 ( 6.607 -0.722 -4.780) 8.187 3.679 ( 0.823 -4.441 -6.284) 7.738 3.802 ( -2.348 -0.913 1.602) 2.985 3.921 ( 2.384 -2.558 1.611) 3.850 3.980 ( 1.935 -6.649 9.759) 11.967 4.165 ( 2.504 1.097 -3.417) 4.376 4.222 ( 5.895 -1.590 -0.667) 6.142 4.350 ( 2.979 -1.940 3.360) 4.892 4.498 ( 0.317 1.237 -0.549) 1.390 4.573 ( -5.784 0.548 6.951) 9.059 4.685 ( 0.976 -1.574 1.599) 2.447 4.767 ( 2.207 -3.405 3.366) 5.272 4.884 ( 2.122 0.767 -1.685) 2.816 4.964 ( 3.578 -2.715 -5.009) 6.728 5.247 ( -0.379 2.873 8.039) 8.546 5.365 ( 0.846 -2.268 -3.736) 4.452 5.508 ( 4.159 3.592 -8.359) 10.004 5.750 ( 2.144 -8.392 3.790) 9.455 5.896 ( -12.076 4.812 -0.121) 13.000 6.011 ( -8.329 0.503 -3.286) 8.968 6.295 ( -12.372 4.086 1.443) 13.109 6.474 ( -7.268 -5.327 0.748) 9.043 7.212 ( -4.639 -1.292 4.652) 6.695 7.566 ( -2.851 2.482 -0.723) 3.848 7.602 ( 1.585 5.781 -1.427) 6.162 7.713 ( 5.440 -0.226 1.227) 5.582 8.169 ( -2.958 4.920 -5.921) 8.247 8.315 ( -4.520 0.153 5.073) 6.796 8.460 ( -9.535 1.342 -0.637) 9.650 8.605 ( -11.743 -2.817 1.441) 12.162 8.818 ( 1.074 0.914 -4.052) 4.290 8.859 ( -0.254 -2.769 -2.285) 3.599 9.075 ( 0.518 3.388 -6.442) 7.297 9.115 ( 0.362 3.378 -1.105) 3.573 9.572 ( -4.851 5.151 -0.038) 7.076 9.622 ( -5.304 2.518 3.416) 6.793 9.925 ( -7.962 0.762 -1.578) 8.153 10.154 ( -2.055 -1.639 -0.353) 2.652 10.285 ( -2.855 2.921 6.792) 7.926 10.438 ( 3.499 -3.305 -2.344) 5.353 10.793 ( 1.022 0.398 -1.602) 1.941 10.940 ( -0.148 -2.424 -1.021) 2.634 11.143 ( 11.349 -0.490 -2.847) 11.711 11.407 ( 10.936 -2.321 2.666) 11.493 12.131 ( -7.530 2.297 -0.983) 7.934 12.201 ( -6.758 2.244 0.010) 7.121 12.816 ( -3.737 5.218 1.489) 6.589 12.956 ( -2.632 -1.653 0.208) 3.115 13.205 ( -6.709 0.640 -5.090) 8.445 13.339 ( -5.545 0.153 3.630) 6.629 13.535 ( -1.030 -0.707 0.225) 1.270 13.688 ( 2.879 -0.487 2.596) 3.906 13.879 ( 2.495 -1.439 1.148) 3.100 14.224 ( 2.004 7.865 -5.145) 9.610 14.462 ( 11.716 1.448 -0.042) 11.805 14.597 ( 8.637 -1.238 2.473) 9.069 14.907 ( -1.262 -0.283 3.120) 3.377 15.048 ( 0.945 -2.717 -0.859) 3.002 15.349 ( 15.519 -3.061 8.942) 18.170 15.427 ( 19.003 5.986 -4.618) 20.452 15.556 ( 18.056 1.159 -0.085) 18.093 15.683 ( 11.592 -1.608 -0.276) 11.706 16.505 ( -5.585 -0.682 -1.222) 5.758 16.624 ( -5.087 -0.881 -0.433) 5.181 16.807 ( 2.434 -0.669 1.381) 2.877 16.901 ( -0.229 -1.146 2.611) 2.861 17.005 ( 1.132 0.188 -2.309) 2.579 17.062 ( 0.377 -1.203 0.036) 1.261 17.205 ( -4.993 -0.850 1.533) 5.292 17.374 ( -5.940 3.799 5.226) 8.777 19.767 ( 5.324 0.785 1.569) 5.606 19.865 ( 9.921 2.130 -1.227) 10.221 21.514 ( -4.298 2.449 1.621) 5.206 21.522 ( -4.160 1.499 -1.079) 4.551 23.035 ( -6.377 -3.466 -3.639) 8.120 23.067 ( -8.657 -2.528 3.977) 9.856 27.941 ( -4.212 0.306 6.557) 7.799 28.488 ( -2.815 13.103 2.610) 13.654 29.423 ( 6.570 -1.884 -4.224) 8.035 29.765 ( 3.467 5.601 -2.166) 6.934 29.938 ( 1.460 1.060 -2.526) 3.104 30.009 ( 0.947 -0.132 2.264) 2.457 30.934 ( -0.546 -0.560 4.369) 4.439 31.060 ( 3.775 1.748 -2.960) 5.106 31.200 ( -2.595 -7.237 0.876) 7.738 31.422 ( -3.606 -15.880 3.319) 16.619 31.920 ( 1.860 5.378 -1.686) 5.935 31.994 ( -3.498 1.306 5.063) 6.291 32.084 ( -1.925 1.050 -0.872) 2.360 32.154 ( -1.688 -4.857 -1.719) 5.421 32.371 ( 3.551 0.114 -0.959) 3.680 32.412 ( 4.260 -1.866 0.018) 4.651 32.650 ( 15.102 0.063 4.121) 15.655 32.868 ( 12.821 -3.926 -5.114) 14.351 34.373 ( -1.058 -3.133 -2.108) 3.922 34.445 ( -2.136 -3.695 3.045) 5.243 35.268 ( -9.440 5.694 2.764) 11.365 35.601 ( -12.748 -2.157 -6.727) 14.574 35.914 ( 9.365 3.708 0.702) 10.097 36.033 ( 7.358 -3.401 6.647) 10.483 37.055 ( -11.320 25.770 -15.570) 32.166 37.640 ( -7.951 3.476 0.467) 8.690 ======================= Grid point 181 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 2.520 -13.575 -2.033) 13.956 1.704 ( 17.515 -12.624 -4.995) 22.160 1.872 ( 12.530 -8.590 6.560) 16.548 2.010 ( 3.868 -5.069 -3.378) 7.216 2.339 ( 4.837 9.959 -0.747) 11.096 2.667 ( 13.682 -2.541 2.381) 14.119 2.711 ( -4.860 4.119 -3.686) 7.360 3.014 ( -2.968 0.814 10.817) 11.246 3.125 ( 6.271 -1.260 -8.561) 10.687 3.247 ( 3.316 0.760 0.225) 3.409 3.348 ( -0.374 3.094 -13.446) 13.803 3.404 ( -4.474 -5.132 5.533) 8.773 3.643 ( 5.119 -0.015 -2.967) 5.917 3.766 ( 0.429 -4.082 -3.814) 5.603 3.838 ( -0.691 -4.321 3.087) 5.355 4.035 ( 5.684 -5.764 6.380) 10.307 4.168 ( 0.417 -7.969 4.922) 9.376 4.212 ( 7.783 -3.726 -2.776) 9.064 4.279 ( -2.975 0.445 3.693) 4.763 4.334 ( -1.322 0.132 2.195) 2.566 4.551 ( 3.722 -5.528 0.402) 6.676 4.584 ( 2.001 -3.919 1.618) 4.688 4.766 ( 2.318 -4.798 0.006) 5.329 4.811 ( -1.331 2.156 1.488) 2.938 4.887 ( 4.216 0.759 -0.369) 4.300 4.989 ( -5.008 -1.265 -3.915) 6.482 5.200 ( 2.379 4.006 3.450) 5.797 5.415 ( 1.512 1.162 -6.648) 6.916 5.466 ( 4.663 1.756 3.281) 5.967 5.638 ( -11.304 6.940 -1.934) 13.404 5.915 ( -5.381 1.123 -3.869) 6.722 5.942 ( -0.020 -5.656 4.976) 7.534 6.134 ( -11.170 1.002 1.784) 11.355 6.491 ( -7.915 -4.801 -0.350) 9.264 7.223 ( -2.475 -1.961 5.406) 6.260 7.496 ( -1.926 2.315 0.902) 3.144 7.516 ( -0.346 3.684 -1.950) 4.182 7.746 ( 2.178 1.418 1.503) 3.002 8.038 ( -0.130 6.694 -5.861) 8.898 8.223 ( -6.994 4.013 -0.291) 8.069 8.421 ( -3.263 -3.150 0.636) 4.580 8.557 ( -9.195 -3.245 -0.210) 9.753 8.786 ( 0.732 2.561 -0.876) 2.804 8.908 ( -0.366 -2.628 0.783) 2.767 9.033 ( 4.670 2.487 -8.127) 9.698 9.060 ( 2.136 3.708 0.430) 4.301 9.423 ( -5.846 6.433 0.846) 8.733 9.516 ( -5.761 4.215 0.423) 7.150 9.835 ( -7.566 0.427 -0.058) 7.578 10.142 ( -4.741 -1.232 -1.810) 5.223 10.218 ( -1.404 4.751 6.839) 8.445 10.511 ( 2.053 -2.167 -1.721) 3.445 10.811 ( 2.864 -1.106 -1.194) 3.294 10.979 ( 0.328 -1.983 -0.625) 2.105 11.250 ( 9.901 -0.645 -1.684) 10.064 11.551 ( 8.516 -2.489 1.479) 8.995 12.019 ( -5.826 2.660 -0.262) 6.410 12.111 ( -3.725 2.177 0.146) 4.317 12.710 ( -2.151 4.476 1.345) 5.145 12.915 ( -4.089 2.257 -1.381) 4.870 13.146 ( -4.288 -1.257 -2.081) 4.930 13.278 ( -6.386 1.136 2.425) 6.925 13.559 ( 0.447 -2.076 0.435) 2.167 13.740 ( 2.073 -1.630 2.932) 3.943 13.915 ( 1.653 0.378 -0.555) 1.784 14.119 ( 4.397 5.586 -4.708) 8.527 14.536 ( 12.004 3.011 -0.490) 12.386 14.669 ( 6.107 1.794 2.453) 6.821 14.906 ( -2.173 -0.397 4.844) 5.324 15.058 ( -2.026 -1.199 -2.959) 3.781 15.473 ( 11.916 2.428 -2.906) 12.503 15.591 ( 15.963 -0.532 1.624) 16.054 15.675 ( 12.115 1.315 2.581) 12.457 15.779 ( 8.162 1.143 -0.679) 8.270 16.497 ( -1.388 -3.508 -3.688) 5.276 16.595 ( -4.398 -1.147 0.427) 4.565 16.837 ( 1.029 0.161 0.617) 1.211 16.932 ( 0.445 -2.009 0.128) 2.061 17.023 ( 1.816 -0.716 2.174) 2.922 17.080 ( -0.543 -1.080 -0.485) 1.303 17.198 ( -2.172 -1.604 1.566) 3.122 17.266 ( -6.205 2.961 2.367) 7.271 19.810 ( 6.642 1.298 0.392) 6.779 19.909 ( 7.807 2.221 -0.765) 8.153 21.411 ( -6.185 3.550 -0.252) 7.136 21.448 ( -4.572 2.169 0.657) 5.103 23.044 ( -4.629 -4.705 -3.397) 7.423 23.061 ( -6.631 -3.879 4.293) 8.801 27.926 ( -2.038 0.012 4.978) 5.379 28.245 ( -2.455 10.917 -3.793) 11.815 29.507 ( 5.777 -1.989 -4.545) 7.615 29.698 ( 0.441 3.334 0.737) 3.443 29.916 ( 2.014 2.971 1.689) 3.967 30.049 ( 3.613 -0.477 -0.179) 3.648 30.967 ( 0.966 -1.655 2.607) 3.236 31.084 ( 3.444 -0.618 -2.508) 4.305 31.296 ( -3.279 -7.438 -1.047) 8.196 31.601 ( -5.914 -10.180 2.304) 11.996 31.842 ( 0.635 4.323 0.506) 4.398 31.969 ( -3.141 -0.301 5.435) 6.285 32.034 ( -2.157 2.133 -0.892) 3.162 32.189 ( -2.237 -2.030 -1.435) 3.345 32.423 ( 4.529 -1.548 -0.231) 4.792 32.488 ( 5.147 -1.448 0.187) 5.350 32.752 ( 9.820 2.186 -0.862) 10.097 33.026 ( 7.211 -3.016 2.003) 8.069 34.434 ( 0.510 -5.398 -3.606) 6.511 34.522 ( -3.202 -7.112 4.721) 9.117 35.092 ( -7.168 5.393 0.814) 9.007 35.514 ( -11.477 -2.641 -6.725) 13.562 35.938 ( 10.203 4.307 -1.770) 11.215 36.152 ( 4.268 0.188 9.336) 10.267 36.504 ( -1.193 25.305 -11.350) 27.760 37.486 ( -5.854 6.560 0.148) 8.794 ======================= Grid point 182 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 3.147 -7.551 0.652) 8.207 2.030 ( 11.113 -8.132 -4.634) 14.530 2.084 ( -1.874 -3.276 -9.473) 10.197 2.118 ( 4.044 -7.172 3.694) 9.024 2.257 ( 9.984 3.412 6.466) 12.375 2.536 ( 1.606 10.040 5.896) 11.754 2.924 ( 1.828 -2.177 8.893) 9.336 2.988 ( 0.983 -8.138 -8.609) 11.887 3.106 ( -3.695 0.864 -2.691) 4.652 3.264 ( 5.488 0.728 -6.260) 8.357 3.288 ( 1.514 1.756 -4.409) 4.981 3.463 ( -1.703 -2.779 4.686) 5.708 3.670 ( 3.428 0.987 -1.166) 3.753 3.792 ( -0.049 -2.621 -6.550) 7.055 3.889 ( -0.106 -0.452 1.731) 1.792 4.060 ( -10.495 5.617 10.454) 15.843 4.226 ( -1.205 -1.297 1.775) 2.507 4.282 ( 6.809 -5.764 0.280) 8.925 4.420 ( -0.140 -8.724 1.615) 8.874 4.476 ( 5.813 -8.413 -1.487) 10.333 4.677 ( 3.144 -0.590 -7.566) 8.215 4.707 ( -0.572 -6.956 5.172) 8.687 4.718 ( -0.638 3.696 -1.085) 3.904 4.789 ( -0.687 2.445 3.611) 4.414 4.898 ( -0.364 -3.308 -2.720) 4.299 4.995 ( 3.360 -2.220 -2.591) 4.788 5.163 ( 0.939 5.801 7.204) 9.297 5.316 ( -0.868 5.203 -2.886) 6.013 5.444 ( -5.144 3.451 -3.944) 7.343 5.561 ( 7.365 -1.053 5.046) 8.990 5.872 ( -3.279 -1.950 -2.613) 4.624 5.975 ( -2.787 -0.024 -0.629) 2.857 6.079 ( -4.172 -1.116 3.063) 5.295 6.477 ( -8.935 -3.626 -1.017) 9.696 7.252 ( -0.089 -1.189 2.672) 2.926 7.468 ( -2.149 0.619 5.207) 5.667 7.493 ( 0.631 -2.970 -4.685) 5.583 7.721 ( -0.983 2.052 2.250) 3.200 7.916 ( 2.761 7.933 -3.566) 9.125 8.088 ( -4.583 4.665 -0.424) 6.553 8.467 ( -1.634 -5.034 -4.539) 6.972 8.543 ( -6.488 -4.034 1.565) 7.798 8.752 ( 1.853 2.917 0.726) 3.531 8.906 ( -0.334 3.348 2.864) 4.418 9.019 ( 1.967 0.331 -1.335) 2.400 9.058 ( 3.679 1.238 -3.839) 5.459 9.274 ( -6.309 4.077 1.197) 7.606 9.395 ( -3.925 3.352 -2.348) 5.671 9.783 ( -4.603 -1.391 0.847) 4.882 10.105 ( -4.412 -0.668 -2.386) 5.060 10.160 ( 1.123 3.694 6.334) 7.418 10.530 ( -0.138 -0.126 -2.095) 2.104 10.873 ( 2.885 -2.700 0.350) 3.967 10.997 ( 0.394 0.244 -0.918) 1.028 11.326 ( 6.711 1.066 -0.528) 6.816 11.634 ( 3.230 0.030 0.253) 3.240 11.950 ( -2.751 0.717 0.840) 2.964 12.065 ( -0.664 0.852 -0.472) 1.179 12.642 ( 0.042 2.680 0.714) 2.774 12.837 ( -3.151 1.329 -1.257) 3.643 13.134 ( -3.053 -1.340 -0.396) 3.357 13.207 ( -6.394 0.402 0.885) 6.467 13.601 ( 0.165 -2.068 0.281) 2.094 13.779 ( -0.859 -0.794 2.773) 3.009 13.900 ( 3.260 2.430 -2.461) 4.752 14.100 ( 5.613 2.118 -2.325) 6.434 14.591 ( 11.695 3.742 -0.590) 12.293 14.676 ( 4.085 3.396 2.607) 5.918 14.909 ( -2.086 -0.390 6.508) 6.845 15.050 ( 0.571 -0.291 -5.641) 5.678 15.535 ( 8.232 1.235 -1.994) 8.560 15.651 ( 3.997 2.949 -0.655) 5.010 15.721 ( 2.150 3.949 3.299) 5.577 15.832 ( 5.959 0.617 -1.306) 6.131 16.553 ( 2.152 -2.787 -6.736) 7.601 16.604 ( -0.962 -3.452 4.518) 5.766 16.819 ( -0.797 1.676 -1.325) 2.281 16.974 ( 0.828 -1.909 0.020) 2.081 17.058 ( -0.026 -0.640 3.972) 4.024 17.083 ( -0.485 0.094 -1.847) 1.912 17.184 ( -5.142 0.525 1.610) 5.414 17.219 ( -0.589 -1.811 0.940) 2.124 19.843 ( 5.752 2.053 -0.195) 6.110 19.931 ( 4.318 2.102 -0.068) 4.803 21.302 ( -5.089 2.058 -1.089) 5.596 21.380 ( -4.042 0.966 1.308) 4.357 23.076 ( -1.816 -4.228 -5.398) 7.093 23.088 ( -4.683 -3.780 5.968) 8.475 27.928 ( -0.927 -0.475 3.215) 3.380 28.075 ( -1.184 6.204 -3.505) 7.223 29.554 ( 2.542 -0.241 -2.983) 3.926 29.687 ( 1.410 -0.515 1.071) 1.844 29.892 ( 1.553 2.627 1.318) 3.324 30.066 ( 1.755 1.816 -0.003) 2.526 31.012 ( 1.403 -1.419 1.648) 2.587 31.113 ( 2.442 0.016 -1.992) 3.152 31.385 ( -1.749 -7.170 -2.479) 7.785 31.669 ( -1.299 -1.911 0.046) 2.311 31.811 ( -2.848 -1.170 4.261) 5.257 31.970 ( -1.228 3.043 0.115) 3.283 31.979 ( -1.767 -2.148 3.182) 4.226 32.190 ( -0.553 -1.176 -3.145) 3.403 32.484 ( 2.818 -0.960 0.547) 3.027 32.546 ( 4.320 0.223 0.706) 4.383 32.771 ( 4.941 3.108 -2.182) 6.232 33.099 ( 1.183 -0.100 2.929) 3.161 34.540 ( 2.486 -6.850 -3.754) 8.197 34.634 ( -3.575 -7.690 4.537) 9.618 34.980 ( -4.235 1.417 0.854) 4.547 35.407 ( -12.880 0.033 -5.399) 13.966 35.930 ( 11.649 11.220 -3.582) 16.566 36.044 ( -2.858 8.722 4.699) 10.311 36.296 ( 10.225 5.618 -1.683) 11.787 37.328 ( -6.577 4.943 0.001) 8.227 ======================= Grid point 183 (80/95) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.396 3.285 -2.910) 4.407 1.986 ( -6.586 4.097 -0.475) 7.771 2.160 ( 1.861 -5.705 -3.366) 6.880 2.226 ( 4.944 0.024 -1.401) 5.138 2.367 ( 9.273 5.971 0.327) 11.034 2.493 ( 7.841 3.609 10.646) 13.705 2.855 ( -4.268 -1.601 3.004) 5.460 3.078 ( -2.463 -3.225 -2.215) 4.624 3.210 ( 0.637 -2.374 -6.101) 6.578 3.281 ( 4.165 2.791 -1.016) 5.115 3.298 ( 3.458 -7.635 -1.109) 8.454 3.448 ( -2.732 3.498 5.145) 6.795 3.655 ( 1.199 3.495 0.292) 3.706 3.857 ( 2.651 -3.676 -7.199) 8.507 3.883 ( -1.157 -2.533 -2.451) 3.709 3.918 ( -7.184 2.894 9.753) 12.454 4.216 ( -5.596 0.705 1.170) 5.760 4.295 ( -8.118 4.548 1.035) 9.363 4.499 ( -3.135 -3.776 -1.376) 5.097 4.568 ( -2.155 2.684 -1.396) 3.715 4.616 ( -1.241 0.537 -0.994) 1.678 4.642 ( 1.107 -1.665 -4.289) 4.732 4.825 ( 0.052 -0.124 -1.935) 1.940 4.871 ( 1.512 -5.648 1.645) 6.074 4.896 ( 0.191 2.338 3.285) 4.037 5.002 ( 2.556 2.803 1.831) 4.212 5.181 ( 2.434 7.943 -3.474) 9.005 5.258 ( 12.878 -7.377 -0.706) 14.858 5.440 ( -0.226 -2.734 2.772) 3.900 5.652 ( 9.125 1.165 4.188) 10.108 5.880 ( -3.438 -3.281 -3.745) 6.051 5.920 ( -3.209 1.836 0.409) 3.720 6.086 ( -1.574 -2.302 1.066) 2.986 6.458 ( -8.585 -4.925 -0.927) 9.941 7.272 ( 0.834 -0.279 1.268) 1.544 7.452 ( -3.708 -0.640 0.836) 3.854 7.584 ( 4.994 -4.638 -3.396) 7.615 7.695 ( 0.525 2.198 4.147) 4.723 7.808 ( 1.671 5.597 -1.083) 5.940 8.013 ( -2.146 -0.693 -0.212) 2.266 8.519 ( -1.808 -5.146 -4.283) 6.935 8.584 ( -3.177 -5.260 1.584) 6.346 8.719 ( 2.091 3.833 1.093) 4.501 8.844 ( 1.178 4.321 2.005) 4.907 8.980 ( -4.668 2.848 -2.035) 5.835 9.060 ( -0.227 1.165 -0.205) 1.205 9.193 ( -3.060 -1.395 1.484) 3.676 9.369 ( 1.418 -2.434 -2.919) 4.057 9.808 ( 0.745 -3.462 0.623) 3.596 10.080 ( -2.689 -1.225 -0.144) 2.959 10.168 ( 4.820 0.394 3.134) 5.763 10.517 ( -1.413 -0.210 -1.871) 2.354 10.939 ( 0.733 -2.348 1.767) 3.029 10.966 ( -0.051 3.201 -1.499) 3.535 11.330 ( 3.063 3.854 -0.134) 4.925 11.614 ( -2.575 2.560 -0.003) 3.631 11.943 ( -0.358 -1.218 1.149) 1.712 12.059 ( 0.628 -0.178 -1.111) 1.288 12.627 ( 2.452 0.590 -0.229) 2.533 12.826 ( 0.287 -1.813 -0.020) 1.836 13.122 ( -4.842 -1.619 1.290) 5.266 13.162 ( -4.638 -1.716 -1.750) 5.245 13.624 ( 0.020 -0.464 -0.222) 0.515 13.770 ( -2.278 -0.086 0.480) 2.330 13.902 ( 4.728 1.879 0.653) 5.130 14.113 ( 5.051 2.136 -1.718) 5.747 14.607 ( 6.907 5.238 0.590) 8.689 14.683 ( 9.071 3.225 0.348) 9.633 14.920 ( -1.423 -0.682 7.087) 7.261 15.045 ( 0.939 -0.273 -6.466) 6.539 15.554 ( 1.424 2.021 -2.245) 3.339 15.588 ( -2.946 5.071 0.596) 5.895 15.631 ( -5.072 5.570 1.728) 7.729 15.817 ( -1.124 3.618 -0.359) 3.805 16.593 ( 2.048 -1.623 0.390) 2.642 16.687 ( 3.751 -1.521 0.540) 4.084 16.779 ( -1.061 0.189 -2.372) 2.605 16.997 ( -0.437 0.113 0.684) 0.820 17.036 ( -4.562 1.095 -0.537) 4.722 17.062 ( -1.717 -0.163 0.626) 1.835 17.182 ( 0.539 -1.824 -0.168) 1.909 17.247 ( -0.072 -1.404 0.976) 1.712 19.839 ( 2.748 3.365 -0.021) 4.344 19.915 ( 0.642 2.735 -0.067) 2.810 21.264 ( -1.180 -1.849 -1.650) 2.745 21.358 ( -2.437 -1.592 1.832) 3.440 23.115 ( 0.684 -2.989 -6.147) 6.870 23.127 ( -2.833 -2.913 6.192) 7.406 27.943 ( -0.558 -1.171 1.930) 2.326 27.988 ( -0.395 2.555 -2.065) 3.309 29.570 ( 2.110 -0.012 0.771) 2.246 29.715 ( 0.890 -0.362 -0.123) 0.968 29.862 ( 0.435 2.245 -0.895) 2.456 30.024 ( -1.670 2.817 0.032) 3.275 31.043 ( 1.179 -0.148 1.542) 1.946 31.114 ( 0.932 1.112 -1.526) 2.105 31.493 ( 1.270 -6.863 -2.773) 7.511 31.668 ( 3.119 2.831 2.617) 4.959 31.820 ( -5.598 -2.462 2.203) 6.501 31.914 ( -1.614 1.349 -1.370) 2.510 32.035 ( 2.587 -2.737 3.094) 4.874 32.213 ( 2.315 -2.015 -4.725) 5.634 32.502 ( 0.682 1.160 0.700) 1.517 32.558 ( 1.671 2.132 1.059) 2.908 32.739 ( 1.672 3.663 -0.829) 4.111 33.076 ( -3.788 1.934 1.148) 4.405 34.677 ( 2.972 -3.829 1.412) 5.048 34.701 ( 0.715 -3.662 -0.229) 3.738 34.974 ( -4.712 -4.020 -2.323) 6.615 35.254 ( -13.237 -0.125 0.350) 13.243 35.794 ( 6.909 9.652 0.022) 11.871 36.020 ( 3.249 0.603 0.422) 3.331 36.308 ( 11.038 4.637 -0.444) 11.980 37.207 ( -9.075 0.480 -0.095) 9.089 ======================= Grid point 184 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -6.579 11.907 1.410) 13.677 1.825 ( -11.105 4.889 -4.298) 12.872 2.172 ( 2.496 9.637 -2.357) 10.231 2.242 ( 0.359 8.541 4.038) 9.454 2.333 ( 11.132 0.587 -6.498) 12.903 2.482 ( 1.797 2.074 9.137) 9.540 2.953 ( 3.451 -3.609 -4.691) 6.852 3.076 ( -0.034 -0.231 -2.463) 2.474 3.160 ( -1.001 6.300 3.845) 7.448 3.223 ( 0.542 7.022 1.487) 7.198 3.403 ( -1.156 -0.143 12.029) 12.085 3.443 ( 1.170 -5.497 -4.122) 6.970 3.599 ( -0.089 3.254 -1.899) 3.768 3.761 ( -7.462 4.936 -1.435) 9.062 3.928 ( -1.700 -4.123 7.064) 8.354 3.995 ( -2.941 -2.531 -6.205) 7.318 4.078 ( -5.501 -1.578 2.618) 6.293 4.223 ( -2.758 0.064 -4.468) 5.252 4.404 ( -2.733 5.141 -6.095) 8.429 4.455 ( -3.671 8.052 0.805) 8.886 4.628 ( -1.503 -1.111 -1.394) 2.332 4.673 ( -1.019 -4.199 -0.469) 4.346 4.784 ( 1.111 5.248 -2.586) 5.955 4.828 ( -0.754 5.318 5.121) 7.422 4.981 ( 0.553 -4.835 3.729) 6.131 5.049 ( 1.055 -3.919 -3.187) 5.160 5.091 ( 7.847 5.928 -2.065) 10.048 5.370 ( 0.750 5.465 -2.925) 6.244 5.507 ( 4.289 -1.122 5.781) 7.285 5.763 ( 7.840 -3.243 0.988) 8.541 5.901 ( 1.936 -2.081 -3.764) 4.717 5.923 ( 1.732 -4.101 4.090) 6.045 6.136 ( 1.109 -4.822 -2.124) 5.385 6.467 ( -8.995 -5.731 0.053) 10.666 7.291 ( 1.727 0.023 2.503) 3.041 7.422 ( -2.389 0.171 -3.335) 4.106 7.612 ( 2.005 3.892 1.068) 4.506 7.675 ( -0.675 1.817 -1.061) 2.210 7.849 ( 5.720 -6.701 1.146) 8.884 8.077 ( -0.960 -7.575 -0.072) 7.636 8.572 ( -0.188 -0.529 3.424) 3.470 8.644 ( 0.139 -4.513 -1.297) 4.698 8.704 ( 2.067 -1.248 -0.844) 2.557 8.812 ( 1.692 1.290 -0.980) 2.342 8.890 ( -6.973 -0.188 -0.212) 6.979 8.982 ( -6.362 2.153 0.629) 6.746 9.287 ( 4.134 -5.964 1.829) 7.484 9.437 ( 0.536 -4.591 -2.622) 5.314 9.905 ( 5.355 -4.049 0.258) 6.718 10.097 ( -2.102 -2.925 1.662) 3.967 10.244 ( 7.759 -1.217 -0.048) 7.854 10.501 ( -2.847 -0.553 -1.011) 3.071 10.895 ( 0.765 4.348 -1.858) 4.790 10.969 ( -2.334 -1.201 3.164) 4.111 11.263 ( 1.476 6.155 -0.297) 6.337 11.504 ( -7.501 4.590 -0.421) 8.803 11.994 ( 2.443 -3.403 1.096) 4.330 12.081 ( 1.233 -2.166 -1.299) 2.810 12.668 ( 4.793 -1.513 -1.193) 5.166 12.876 ( -1.007 -3.183 1.385) 3.614 13.118 ( -4.786 -3.404 2.278) 6.299 13.167 ( -2.803 -4.005 -3.206) 5.846 13.622 ( 1.962 1.291 -0.155) 2.353 13.749 ( -2.521 0.013 -1.674) 3.026 13.926 ( 5.719 1.761 3.296) 6.832 14.107 ( 3.131 2.653 -1.715) 4.448 14.573 ( 7.051 6.599 0.566) 9.674 14.716 ( 10.049 4.297 -0.885) 10.965 14.949 ( 1.928 -0.606 3.313) 3.880 15.042 ( -2.858 -2.060 -1.675) 3.901 15.387 ( -15.877 7.441 -0.821) 17.553 15.453 ( -11.803 6.372 0.416) 13.419 15.510 ( 2.645 5.817 -1.184) 6.499 15.708 ( -5.635 4.914 0.630) 7.503 16.640 ( 1.477 0.209 7.110) 7.265 16.692 ( 3.883 2.187 -4.270) 6.172 16.810 ( 1.396 -2.628 -1.733) 3.444 16.943 ( -4.742 1.553 -1.746) 5.287 17.005 ( -0.934 0.731 2.057) 2.375 17.050 ( -1.879 -0.850 -1.511) 2.557 17.224 ( 1.881 -1.733 -1.117) 2.791 17.268 ( -0.143 -1.064 1.038) 1.494 19.792 ( 0.626 3.733 0.188) 3.789 19.856 ( -2.089 3.218 -0.183) 3.841 21.324 ( 2.242 -4.779 -1.949) 5.627 21.395 ( -1.179 -3.820 2.144) 4.537 23.151 ( 2.483 -1.682 -5.800) 6.529 23.165 ( -1.247 -1.857 5.478) 5.918 27.948 ( 1.203 0.483 -2.581) 2.888 27.984 ( -1.953 -2.999 2.615) 4.433 29.595 ( 1.878 0.796 3.942) 4.438 29.699 ( -0.076 2.257 -1.502) 2.712 29.829 ( 0.625 1.141 -2.100) 2.470 29.962 ( -4.191 0.777 -0.216) 4.268 31.044 ( 1.113 1.803 0.527) 2.184 31.089 ( -0.687 1.626 -0.362) 1.801 31.612 ( 2.859 -5.163 -0.420) 5.916 31.655 ( 5.886 5.038 4.430) 8.925 31.806 ( -5.736 -2.924 -0.366) 6.449 31.877 ( -1.436 1.190 -4.856) 5.201 32.130 ( 5.463 -2.708 3.211) 6.891 32.268 ( 3.635 -2.454 -5.097) 6.724 32.463 ( -0.530 3.482 0.227) 3.529 32.516 ( -1.653 3.144 0.877) 3.658 32.681 ( 0.943 4.618 0.794) 4.780 32.973 ( -8.446 3.666 0.254) 9.211 34.658 ( 1.157 4.980 6.398) 8.190 34.807 ( 4.627 4.152 -7.348) 9.625 34.950 ( -1.423 -6.322 -2.946) 7.119 35.268 ( -13.553 -13.466 4.945) 19.735 35.756 ( 6.566 3.258 0.400) 7.341 36.021 ( -5.393 -0.650 1.746) 5.706 36.403 ( 21.105 -0.133 -1.453) 21.155 37.144 ( -12.715 -5.392 -0.170) 13.813 ======================= Grid point 185 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -3.485 12.505 7.419) 14.952 1.579 ( -14.437 7.853 -6.932) 17.836 1.947 ( 1.659 17.886 -1.876) 18.060 1.983 ( -1.516 19.304 0.544) 19.371 2.423 ( 8.121 -0.127 -4.633) 9.351 2.515 ( -3.576 -0.719 3.584) 5.114 2.913 ( 2.605 7.753 7.431) 11.051 2.985 ( 1.154 8.395 -7.589) 11.376 3.120 ( 0.475 -0.437 4.993) 5.034 3.187 ( -2.693 -0.671 -1.380) 3.099 3.394 ( 0.371 1.783 5.476) 5.771 3.499 ( -4.533 0.161 -4.678) 6.516 3.560 ( 1.159 0.540 6.709) 6.830 3.621 ( -3.767 2.077 -4.372) 6.133 3.931 ( -0.009 1.095 -1.136) 1.578 3.984 ( -4.328 -1.944 4.561) 6.581 4.118 ( -1.319 1.616 2.885) 3.560 4.170 ( -1.513 1.512 -10.285) 10.505 4.325 ( 2.528 1.630 -3.622) 4.708 4.334 ( -0.643 2.691 2.026) 3.429 4.593 ( 2.036 4.724 1.640) 5.399 4.672 ( -1.097 4.892 -4.070) 6.458 4.730 ( -1.867 -0.364 -0.353) 1.935 4.745 ( -2.658 2.951 3.500) 5.294 4.988 ( 6.214 6.265 -1.158) 8.900 5.080 ( -1.822 0.285 -2.825) 3.374 5.155 ( 2.261 -2.658 6.616) 7.480 5.253 ( -3.528 -1.054 -5.448) 6.576 5.576 ( 6.338 0.959 8.890) 10.960 5.763 ( -6.901 0.109 -7.128) 9.921 6.000 ( 8.654 -1.982 -0.440) 8.889 6.049 ( 2.337 -3.735 4.125) 6.036 6.288 ( 8.846 -8.155 -3.714) 12.591 6.472 ( -9.314 -5.203 1.039) 10.719 7.319 ( 2.895 0.022 3.067) 4.218 7.393 ( -2.202 -0.948 -4.578) 5.168 7.590 ( 0.842 0.851 4.656) 4.808 7.632 ( -1.330 0.608 -4.009) 4.268 8.043 ( 6.719 -7.055 3.049) 10.208 8.181 ( -4.212 -6.583 -3.253) 8.465 8.597 ( 6.535 -0.834 3.342) 7.388 8.726 ( -2.785 -4.924 -0.862) 5.722 8.773 ( 6.119 -0.923 -0.081) 6.189 8.833 ( -0.688 -4.675 0.245) 4.732 8.880 ( -4.495 -5.433 -1.430) 7.195 8.903 ( -6.540 -0.165 1.452) 6.701 9.435 ( 3.612 -5.955 3.217) 7.671 9.505 ( -0.881 -4.952 -3.923) 6.379 10.028 ( 6.730 -3.211 0.866) 7.507 10.131 ( -3.289 -3.101 0.733) 4.579 10.335 ( 8.324 -0.509 -2.019) 8.580 10.462 ( -5.218 0.768 0.601) 5.309 10.852 ( 4.187 2.551 -2.110) 5.338 10.949 ( -6.572 -0.012 3.907) 7.645 11.177 ( 4.585 6.683 0.081) 8.105 11.331 ( -9.697 5.591 -1.273) 11.266 12.105 ( 4.092 -5.378 1.077) 6.843 12.149 ( 0.935 -4.857 -1.116) 5.070 12.759 ( 6.603 -3.497 -1.565) 7.634 12.896 ( -6.855 -3.465 1.416) 7.810 13.178 ( -0.497 -5.621 3.941) 6.883 13.219 ( -1.511 -5.659 -4.023) 7.106 13.628 ( 4.338 1.601 0.339) 4.636 13.704 ( -2.864 1.730 -1.510) 3.671 13.964 ( 7.141 2.208 1.178) 7.567 14.072 ( -1.388 2.178 -0.597) 2.651 14.531 ( 10.385 8.219 0.561) 13.256 14.703 ( 4.189 6.303 -2.165) 7.871 14.971 ( 0.605 3.423 0.020) 3.476 15.035 ( -11.960 -0.052 0.687) 11.980 15.084 ( -8.644 5.497 4.865) 11.340 15.217 ( -13.852 4.385 -3.852) 15.031 15.441 ( 5.143 5.571 -1.909) 7.819 15.567 ( -8.188 4.333 1.605) 9.402 16.647 ( 2.330 2.096 4.763) 5.701 16.690 ( 0.703 0.826 -1.789) 2.092 16.839 ( 1.363 0.555 -0.412) 1.528 16.881 ( -2.251 0.775 -3.482) 4.218 17.003 ( 0.412 -0.249 3.246) 3.281 17.046 ( -2.072 -1.188 -2.003) 3.117 17.264 ( 2.424 -1.287 -1.381) 3.072 17.291 ( -0.739 -1.859 0.877) 2.185 19.741 ( 0.610 2.850 0.241) 2.925 19.778 ( -2.966 2.818 -0.142) 4.094 21.430 ( 2.968 -5.011 -2.015) 6.162 21.462 ( -1.221 -4.422 2.102) 5.046 23.183 ( 3.144 -0.651 -4.305) 5.371 23.195 ( -0.426 -0.882 3.945) 4.065 27.967 ( 4.019 -1.394 -4.423) 6.137 28.032 ( -5.121 -5.108 4.179) 8.353 29.582 ( 1.615 3.755 5.284) 6.680 29.647 ( -1.706 1.906 -3.711) 4.508 29.845 ( 2.648 -1.723 -0.255) 3.169 29.922 ( -4.551 -1.066 -0.590) 4.712 31.014 ( 1.925 2.876 -1.947) 3.971 31.044 ( -2.332 2.316 1.902) 3.797 31.624 ( 6.854 7.235 5.313) 11.294 31.711 ( 0.858 -1.410 3.768) 4.114 31.798 ( -1.331 0.843 -9.642) 9.770 31.825 ( -4.111 -3.316 -2.227) 5.733 32.234 ( 6.516 -1.514 2.985) 7.326 32.315 ( 1.372 -1.488 -3.768) 4.278 32.391 ( 0.385 4.535 -0.113) 4.553 32.433 ( -3.851 3.691 0.279) 5.342 32.616 ( 4.337 6.047 0.486) 7.458 32.798 ( -12.326 5.610 1.469) 13.622 34.593 ( 1.249 6.511 7.686) 10.150 34.659 ( 0.012 8.329 -8.669) 12.022 35.159 ( 8.769 -10.813 -0.423) 13.928 35.373 ( -13.792 -12.405 1.670) 18.625 35.798 ( 7.496 -0.060 0.204) 7.499 35.958 ( -9.341 -0.460 1.419) 9.459 36.727 ( 25.352 -11.851 1.261) 28.013 37.148 ( -17.050 -12.263 -0.751) 21.015 ======================= Grid point 186 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -4.668 8.176 -17.823) 20.156 1.293 ( 4.668 8.176 17.823) 20.156 1.628 ( 3.582 20.081 -15.132) 25.398 1.628 ( -3.582 20.081 15.132) 25.398 2.430 ( 8.166 5.245 -17.804) 20.277 2.430 ( -8.166 5.245 17.804) 20.277 2.888 ( -0.352 0.644 -10.445) 10.471 2.888 ( 0.352 0.644 10.445) 10.471 3.135 ( -2.424 1.264 -4.490) 5.257 3.135 ( 2.424 1.264 4.490) 5.257 3.431 ( -4.773 -0.497 -1.634) 5.070 3.431 ( 4.773 -0.497 1.634) 5.070 3.561 ( 5.448 2.485 -8.090) 10.065 3.561 ( -5.448 2.485 8.090) 10.065 3.946 ( 2.893 1.029 -10.932) 11.355 3.946 ( -2.893 1.029 10.932) 11.355 4.061 ( -1.260 5.610 -8.013) 9.862 4.061 ( 1.260 5.610 8.013) 9.862 4.325 ( -1.403 1.129 -2.151) 2.805 4.325 ( 1.403 1.129 2.151) 2.805 4.553 ( -2.458 3.492 -5.520) 6.979 4.553 ( 2.458 3.492 5.520) 6.979 4.704 ( 1.977 1.157 -3.915) 4.536 4.704 ( -1.977 1.157 3.915) 4.536 4.950 ( 2.755 5.533 -3.599) 7.152 4.950 ( -2.755 5.533 3.599) 7.152 5.280 ( 0.209 -4.755 -8.251) 9.525 5.280 ( -0.209 -4.755 8.251) 9.525 5.639 ( -4.813 3.133 -11.725) 13.056 5.639 ( 4.813 3.133 11.725) 13.056 6.104 ( 0.211 -3.391 -2.757) 4.376 6.104 ( -0.211 -3.391 2.757) 4.376 6.470 ( 0.327 -3.581 -4.271) 5.583 6.470 ( -0.327 -3.581 4.271) 5.583 7.377 ( -1.356 -1.754 -5.005) 5.474 7.377 ( 1.356 -1.754 5.005) 5.474 7.618 ( 0.083 -1.506 -5.648) 5.846 7.618 ( -0.083 -1.506 5.648) 5.846 8.204 ( -2.419 -4.275 -7.670) 9.108 8.204 ( 2.419 -4.275 7.670) 9.108 8.721 ( -5.434 -1.740 -1.679) 5.948 8.721 ( 5.434 -1.740 1.679) 5.948 8.853 ( -1.812 -1.584 -5.516) 6.018 8.853 ( 1.812 -1.584 5.516) 6.018 8.972 ( 0.107 -9.221 -1.314) 9.315 8.972 ( -0.107 -9.221 1.314) 9.315 9.567 ( -0.598 -5.655 -5.448) 7.875 9.567 ( 0.598 -5.655 5.448) 7.875 10.126 ( -3.755 -0.952 -2.690) 4.716 10.126 ( 3.755 -0.952 2.690) 4.716 10.393 ( 2.157 1.189 -4.209) 4.876 10.393 ( -2.157 1.189 4.209) 4.876 10.875 ( 3.408 0.965 -1.783) 3.966 10.875 ( -3.408 0.965 1.783) 3.966 11.146 ( -8.803 4.968 -1.839) 10.274 11.146 ( 8.803 4.968 1.839) 10.274 12.233 ( -1.682 -5.506 -1.217) 5.884 12.233 ( 1.682 -5.506 1.217) 5.884 12.896 ( -5.723 -4.755 0.085) 7.442 12.896 ( 5.723 -4.755 -0.085) 7.442 13.292 ( 0.015 -5.490 -5.271) 7.611 13.292 ( -0.015 -5.490 5.271) 7.611 13.640 ( -0.188 1.713 -2.184) 2.782 13.640 ( 0.188 1.713 2.184) 2.782 13.993 ( 1.866 2.504 -5.758) 6.550 13.993 ( -1.866 2.504 5.758) 6.550 14.504 ( -11.353 8.819 -3.326) 14.756 14.504 ( 11.353 8.819 3.326) 14.756 14.853 ( -5.377 6.726 -2.473) 8.959 14.853 ( 5.377 6.726 2.473) 8.959 15.124 ( 1.525 -2.838 -8.507) 9.097 15.124 ( -1.525 -2.838 8.507) 9.097 15.427 ( -0.195 3.236 -1.422) 3.540 15.427 ( 0.195 3.236 1.422) 3.540 16.656 ( -0.506 0.989 -4.498) 4.633 16.656 ( 0.506 0.989 4.498) 4.633 16.842 ( -1.793 0.724 -2.936) 3.515 16.842 ( 1.793 0.724 2.936) 3.515 17.031 ( -2.027 -0.101 -1.590) 2.578 17.031 ( 2.027 -0.101 1.590) 2.578 17.316 ( -2.629 -2.540 0.440) 3.682 17.316 ( 2.629 -2.540 -0.440) 3.682 19.716 ( 0.791 1.545 -3.954) 4.318 19.716 ( -0.791 1.545 3.954) 4.318 21.521 ( 1.722 -3.588 -2.285) 4.589 21.521 ( -1.722 -3.588 2.285) 4.589 23.202 ( 1.702 0.274 -4.895) 5.190 23.202 ( -1.702 0.274 4.895) 5.190 28.065 ( 8.909 -5.175 -4.849) 11.387 28.065 ( -8.909 -5.175 4.849) 11.387 29.576 ( -4.094 1.538 -4.133) 6.017 29.576 ( 4.094 1.538 4.133) 6.017 29.915 ( -0.623 -2.862 -4.432) 5.312 29.915 ( 0.623 -2.862 4.432) 5.312 30.986 ( 3.140 2.108 -3.519) 5.166 30.986 ( -3.140 2.108 3.519) 5.166 31.560 ( -6.303 11.117 -8.256) 15.215 31.560 ( 6.303 11.117 8.256) 15.215 31.855 ( -1.241 -4.386 -4.756) 6.587 31.855 ( 1.241 -4.386 4.756) 6.587 32.305 ( -3.446 1.202 -2.182) 4.252 32.305 ( 3.446 1.202 2.182) 4.252 32.336 ( -1.847 2.934 -1.660) 3.844 32.336 ( 1.847 2.934 1.660) 3.844 32.580 ( -8.361 6.439 -0.291) 10.557 32.580 ( 8.361 6.439 0.291) 10.557 34.515 ( -0.259 6.004 -6.774) 9.056 34.515 ( 0.259 6.004 6.774) 9.056 35.425 ( -10.527 -8.497 -1.141) 13.576 35.425 ( 10.527 -8.497 1.141) 13.576 35.887 ( -5.597 -0.967 -1.584) 5.896 35.887 ( 5.597 -0.967 1.584) 5.896 37.239 ( -14.762 -20.768 -7.337) 26.516 37.239 ( 14.762 -20.768 7.337) 26.516 ======================= Grid point 190 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 6.638 -0.000 -19.649) 20.740 1.395 ( 5.970 -0.000 19.069) 19.982 1.811 ( 26.841 -0.000 -0.265) 26.842 1.932 ( 3.674 -0.000 3.432) 5.028 2.450 ( 18.049 -0.000 -37.678) 41.778 2.702 ( 10.817 -0.000 9.500) 14.396 2.919 ( -0.391 0.000 27.071) 27.074 2.961 ( -4.461 0.000 1.979) 4.881 3.089 ( 4.463 -0.000 -6.198) 7.637 3.272 ( 4.552 -0.000 -4.115) 6.136 3.308 ( -2.542 0.000 10.421) 10.727 3.370 ( 1.356 -0.000 -9.309) 9.407 3.584 ( -3.794 0.000 -8.389) 9.207 3.604 ( 5.095 -0.000 -5.062) 7.182 3.795 ( -1.490 0.000 2.675) 3.062 3.947 ( 5.796 -0.000 -1.999) 6.131 3.951 ( -0.276 0.000 12.439) 12.442 4.218 ( 3.614 -0.000 -2.155) 4.208 4.267 ( 2.338 -0.000 -4.317) 4.909 4.360 ( 6.646 -0.000 4.212) 7.868 4.522 ( -11.219 0.000 12.097) 16.498 4.542 ( 4.832 -0.000 0.866) 4.909 4.720 ( -0.965 0.000 9.443) 9.492 4.740 ( 4.351 -0.000 -5.311) 6.866 4.901 ( 3.289 -0.000 -2.543) 4.158 4.976 ( 5.598 -0.000 -8.831) 10.456 5.327 ( 2.100 -0.000 13.270) 13.435 5.356 ( 3.877 -0.000 -0.730) 3.945 5.580 ( 4.931 -0.000 -12.695) 13.619 5.652 ( 1.255 -0.000 2.447) 2.750 5.852 ( -10.509 0.000 0.258) 10.512 5.902 ( -8.754 0.000 -3.286) 9.350 6.248 ( -12.371 0.000 -3.702) 12.913 6.283 ( -14.780 0.000 5.155) 15.653 7.180 ( -3.640 0.000 8.051) 8.835 7.549 ( -3.281 0.000 -3.527) 4.817 7.676 ( -0.699 0.000 4.303) 4.359 7.762 ( 6.382 -0.000 -4.958) 8.081 8.141 ( -6.308 0.000 -6.726) 9.221 8.264 ( -8.664 0.000 3.041) 9.182 8.382 ( -9.116 0.000 1.121) 9.185 8.462 ( -8.565 0.000 -2.833) 9.021 8.830 ( 0.309 -0.000 0.022) 0.309 8.851 ( 5.307 -0.000 -3.231) 6.213 9.088 ( 1.320 -0.000 -6.351) 6.487 9.135 ( -0.360 0.000 -1.131) 1.187 9.571 ( -5.156 0.000 -2.628) 5.787 9.588 ( -7.981 0.000 5.993) 9.981 9.859 ( -7.298 0.000 -0.557) 7.319 10.096 ( -5.777 0.000 -1.677) 6.015 10.328 ( -1.146 0.000 10.224) 10.288 10.434 ( 5.054 -0.000 -5.284) 7.312 10.808 ( 2.201 -0.000 -1.836) 2.867 10.924 ( 1.498 -0.000 -1.005) 1.804 11.238 ( 10.965 -0.000 -1.953) 11.137 11.497 ( 10.529 -0.000 1.969) 10.712 12.077 ( -7.243 0.000 -0.396) 7.253 12.152 ( -6.697 0.000 -0.274) 6.703 12.880 ( -0.806 0.000 0.374) 0.889 12.890 ( -1.467 0.000 0.947) 1.746 13.130 ( -7.172 0.000 -4.708) 8.579 13.281 ( -8.257 0.000 4.679) 9.491 13.521 ( -0.112 0.000 -0.288) 0.309 13.714 ( 0.602 -0.000 4.951) 4.987 13.893 ( 3.810 -0.000 -1.659) 4.156 14.284 ( 0.461 -0.000 -9.283) 9.294 14.581 ( 13.128 -0.000 0.051) 13.128 14.718 ( 11.507 -0.000 3.354) 11.986 14.898 ( -2.634 0.000 5.370) 5.981 15.026 ( 0.044 -0.000 -0.933) 0.934 15.484 ( 15.534 -0.000 3.484) 15.920 15.700 ( 22.834 -0.000 -14.084) 26.828 15.723 ( 10.644 -0.000 15.713) 18.978 15.763 ( 11.810 -0.000 -2.374) 12.046 16.437 ( -6.132 0.000 -0.873) 6.194 16.559 ( -6.031 0.000 0.867) 6.093 16.835 ( 2.784 -0.000 1.687) 3.255 16.883 ( -1.976 0.000 1.746) 2.637 16.995 ( -0.091 0.000 -4.421) 4.422 17.069 ( 1.005 -0.000 3.164) 3.320 17.159 ( -3.138 0.000 1.317) 3.403 17.351 ( -9.385 0.000 6.112) 11.200 19.839 ( 6.936 -0.000 2.776) 7.471 20.000 ( 12.465 -0.000 -1.082) 12.512 21.469 ( -7.732 0.000 -1.754) 7.929 21.499 ( -5.283 0.000 1.963) 5.636 22.925 ( -5.738 0.000 -6.318) 8.534 22.973 ( -8.907 0.000 6.627) 11.102 27.929 ( -2.809 0.000 6.527) 7.106 28.514 ( -13.708 0.000 -0.166) 13.709 29.509 ( 11.488 -0.000 -0.921) 11.525 29.887 ( 3.858 -0.000 -1.848) 4.278 29.904 ( -1.223 0.000 -1.065) 1.622 30.016 ( 1.108 -0.000 1.261) 1.679 30.947 ( 1.285 -0.000 4.255) 4.445 31.116 ( -0.414 0.000 2.928) 2.958 31.139 ( 0.642 -0.000 -2.172) 2.264 31.234 ( 2.169 -0.000 -3.164) 3.836 31.941 ( -5.322 0.000 5.228) 7.460 32.009 ( -4.193 0.000 -4.441) 6.108 32.086 ( 3.342 -0.000 -2.276) 4.044 32.100 ( 0.796 -0.000 2.759) 2.871 32.398 ( 2.952 -0.000 -1.330) 3.238 32.454 ( 7.930 -0.000 0.619) 7.955 32.838 ( 14.598 -0.000 12.570) 19.265 32.911 ( 9.771 -0.000 -10.223) 14.141 34.334 ( -0.775 0.000 -0.106) 0.782 34.399 ( -2.099 0.000 1.184) 2.410 35.248 ( -10.116 0.000 6.476) 12.011 35.395 ( -14.965 0.000 -12.160) 19.283 36.007 ( 6.562 -0.000 -0.029) 6.562 36.144 ( 13.490 -0.000 8.617) 16.008 37.168 ( -7.730 0.000 -19.730) 21.191 37.529 ( -13.181 0.000 4.075) 13.797 ======================= Grid point 191 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 3.488 -10.790 -11.553) 16.188 1.595 ( 3.111 -11.746 15.570) 19.751 1.978 ( 4.201 -0.882 -3.537) 5.562 2.052 ( 24.329 1.031 1.757) 24.414 2.498 ( 11.388 0.845 -25.434) 27.880 2.686 ( 1.349 6.841 -2.949) 7.571 2.876 ( -1.715 4.149 16.976) 17.559 3.007 ( -5.122 -1.892 9.690) 11.122 3.144 ( 4.813 0.080 -0.653) 4.857 3.310 ( 5.835 -0.148 -2.328) 6.284 3.332 ( 1.033 -0.235 2.748) 2.945 3.363 ( 4.612 1.583 -10.660) 11.722 3.578 ( -2.213 -4.812 -7.609) 9.271 3.705 ( 5.903 -6.230 5.154) 10.011 3.789 ( -3.177 -1.471 2.099) 4.082 4.010 ( 4.726 -3.463 -1.610) 6.076 4.067 ( 2.838 -6.480 8.254) 10.871 4.218 ( -3.183 -0.921 -6.110) 6.951 4.267 ( 4.282 -0.041 -0.515) 4.313 4.367 ( -6.719 4.411 9.779) 12.658 4.508 ( 1.730 -2.094 6.305) 6.865 4.596 ( 6.031 -0.474 -0.386) 6.061 4.733 ( 4.919 -2.111 -0.979) 5.441 4.830 ( 1.393 -3.872 1.232) 4.295 4.911 ( 2.594 2.143 -0.053) 3.365 4.986 ( 4.101 2.187 -7.531) 8.850 5.302 ( -0.301 5.862 5.938) 8.350 5.436 ( 7.230 -2.422 0.508) 7.642 5.527 ( 1.211 3.592 -6.070) 7.157 5.682 ( -6.133 6.378 1.587) 8.989 5.813 ( -1.349 -9.364 2.934) 9.905 5.860 ( -4.262 -1.209 -3.732) 5.792 6.038 ( -13.306 2.283 1.004) 13.538 6.272 ( -13.420 -8.331 -0.094) 15.796 7.189 ( -2.831 -1.552 9.869) 10.384 7.491 ( -2.982 1.199 -5.088) 6.018 7.613 ( -1.026 6.416 3.040) 7.173 7.775 ( -0.268 1.233 -3.632) 3.845 8.074 ( -1.999 0.023 -6.933) 7.216 8.184 ( -8.064 -0.788 -1.962) 8.336 8.342 ( -5.333 -2.355 3.728) 6.920 8.406 ( -5.976 -1.421 -2.450) 6.614 8.831 ( 1.598 1.398 1.806) 2.787 8.901 ( 4.789 -0.242 -0.893) 4.878 9.081 ( 3.814 1.203 -6.882) 7.960 9.117 ( 0.245 1.469 -0.226) 1.506 9.459 ( -7.313 4.952 0.751) 8.864 9.515 ( -6.843 2.045 0.975) 7.208 9.781 ( -6.655 1.084 0.925) 6.806 10.045 ( -7.569 -2.264 -3.087) 8.482 10.309 ( -0.695 3.891 9.289) 10.095 10.489 ( 3.219 -2.143 -4.124) 5.654 10.831 ( 3.780 -0.165 -1.168) 3.960 10.951 ( 1.304 -1.689 -1.097) 2.400 11.339 ( 10.757 -0.102 -0.821) 10.788 11.606 ( 8.716 -1.099 0.960) 8.837 11.999 ( -5.848 1.448 0.285) 6.032 12.089 ( -5.154 0.416 -0.428) 5.189 12.793 ( 0.461 5.689 0.521) 5.731 12.911 ( -2.200 0.834 -1.461) 2.770 13.069 ( -4.709 -1.861 -1.670) 5.332 13.211 ( -9.841 -0.203 3.800) 10.551 13.535 ( 0.996 -1.196 -0.290) 1.583 13.735 ( -1.736 -1.402 5.819) 6.232 13.935 ( 5.064 -0.227 -2.939) 5.859 14.224 ( 2.214 4.065 -8.216) 9.430 14.696 ( 12.566 1.397 -0.577) 12.656 14.786 ( 5.468 2.514 3.697) 7.063 14.898 ( -1.421 -0.189 5.936) 6.106 15.042 ( 3.994 -0.117 -2.289) 4.605 15.630 ( 14.050 1.381 -1.010) 14.154 15.781 ( 12.653 4.653 1.511) 13.566 15.808 ( 8.239 2.787 -0.028) 8.698 15.874 ( 8.327 0.890 -0.865) 8.419 16.415 ( -1.390 -3.266 -2.822) 4.535 16.528 ( -4.631 -1.865 1.467) 5.204 16.855 ( 0.778 0.472 0.248) 0.943 16.888 ( -2.046 -2.575 1.961) 3.829 16.994 ( -0.573 -1.751 -3.559) 4.008 17.087 ( 1.653 0.294 2.849) 3.307 17.158 ( -1.151 -1.416 1.484) 2.352 17.252 ( -9.003 2.311 4.387) 10.278 19.909 ( 8.154 1.286 2.725) 8.693 20.066 ( 11.423 4.956 -2.052) 12.619 21.372 ( -8.807 1.176 -2.407) 9.206 21.433 ( -6.844 1.510 2.604) 7.476 22.901 ( -3.919 -4.569 -6.816) 9.093 22.946 ( -7.549 -3.451 7.747) 11.354 27.925 ( -1.594 0.069 5.682) 5.902 28.322 ( -10.066 6.171 -4.768) 12.734 29.577 ( 8.352 2.469 -2.004) 8.936 29.788 ( 0.754 6.317 0.425) 6.376 29.960 ( 0.690 -0.760 1.226) 1.599 30.058 ( 3.058 -1.817 -0.319) 3.572 30.982 ( 3.577 -0.160 2.420) 4.322 31.108 ( 2.826 0.647 -2.044) 3.547 31.172 ( -1.307 -4.543 1.540) 4.971 31.361 ( -2.518 -10.973 -0.738) 11.282 31.907 ( -4.875 0.020 3.587) 6.052 31.919 ( -3.793 2.336 -2.119) 4.933 32.075 ( 0.625 2.537 1.689) 3.111 32.148 ( 1.189 -1.528 -1.533) 2.470 32.440 ( 4.396 -1.209 -0.550) 4.592 32.543 ( 8.816 -0.280 1.139) 8.894 32.894 ( 7.754 4.278 -2.345) 9.161 33.043 ( 5.762 -3.417 5.101) 8.420 34.358 ( 0.237 -3.197 -0.399) 3.230 34.414 ( -2.258 -3.723 1.563) 4.626 35.105 ( -8.290 4.866 0.464) 9.624 35.300 ( -12.813 -5.108 -6.613) 15.297 36.064 ( 8.894 1.845 -0.878) 9.126 36.279 ( 10.276 1.595 9.510) 14.092 36.857 ( -1.284 19.926 -14.633) 24.755 37.446 ( -12.229 -0.722 1.659) 12.362 ======================= Grid point 192 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 3.639 -15.290 -2.814) 15.967 1.891 ( -0.378 -15.696 8.993) 18.094 2.030 ( 6.984 -2.766 -10.568) 12.966 2.196 ( 11.071 4.957 3.219) 12.550 2.452 ( 5.851 7.765 3.456) 10.319 2.652 ( 5.304 -0.930 -12.537) 13.644 2.866 ( -0.853 -1.835 1.844) 2.737 3.003 ( -1.238 0.169 8.981) 9.067 3.108 ( -1.940 6.342 1.459) 6.791 3.298 ( 2.012 2.918 -9.499) 10.139 3.378 ( 9.095 2.493 -1.455) 9.542 3.391 ( 0.915 -4.925 2.361) 5.538 3.618 ( -0.753 -4.183 -8.153) 9.195 3.776 ( -4.509 -1.025 1.973) 5.027 3.876 ( 3.048 -3.323 5.075) 6.789 4.058 ( -4.771 1.853 -1.169) 5.250 4.183 ( -5.389 -1.339 8.580) 10.220 4.243 ( -3.745 -7.326 0.655) 8.254 4.286 ( 8.269 -4.021 3.211) 9.739 4.394 ( 3.066 -5.300 -1.181) 6.236 4.586 ( -0.272 -5.717 2.881) 6.408 4.665 ( 2.582 -1.957 -3.824) 5.012 4.823 ( 5.223 5.810 0.360) 7.821 4.854 ( 5.903 -1.246 -1.009) 6.117 4.870 ( -2.671 2.350 -0.506) 3.593 4.984 ( 5.717 -1.434 -2.785) 6.518 5.241 ( -0.763 1.954 5.226) 5.632 5.410 ( -0.184 6.306 -2.326) 6.724 5.497 ( 0.573 5.775 -4.483) 7.333 5.621 ( 7.021 -1.976 5.490) 9.129 5.785 ( -8.317 -0.368 -2.569) 8.713 5.900 ( -2.303 -4.473 -1.829) 5.353 6.016 ( -3.937 -3.543 4.796) 7.145 6.273 ( -13.384 -6.842 -1.690) 15.126 7.235 ( -0.535 -2.537 8.429) 8.819 7.450 ( -0.314 -0.572 -6.785) 6.816 7.508 ( -2.212 4.617 5.443) 7.472 7.716 ( -4.143 0.615 -2.956) 5.126 8.042 ( 3.126 3.465 -5.860) 7.491 8.119 ( -3.658 2.624 0.367) 4.517 8.358 ( -3.678 -3.102 0.660) 4.857 8.385 ( -7.070 -5.318 -2.091) 9.091 8.825 ( 2.833 2.525 2.524) 4.557 8.931 ( 1.956 0.502 0.916) 2.217 9.063 ( 1.834 2.620 -3.608) 4.821 9.115 ( 4.447 1.050 -2.131) 5.042 9.293 ( -8.087 5.870 1.547) 10.112 9.405 ( -5.069 3.601 -1.734) 6.455 9.725 ( -4.408 -0.750 2.791) 5.271 10.008 ( -7.038 -2.944 -4.684) 8.952 10.264 ( 0.921 4.198 8.669) 9.676 10.512 ( -0.358 -0.405 -4.322) 4.356 10.879 ( 3.974 -1.018 0.760) 4.172 10.989 ( 1.178 -1.500 -1.517) 2.437 11.425 ( 9.271 1.512 0.010) 9.394 11.679 ( 4.676 0.862 0.239) 4.761 11.937 ( -3.466 0.665 1.093) 3.694 12.044 ( -3.710 -0.531 -1.065) 3.897 12.721 ( 2.784 4.683 -0.242) 5.454 12.844 ( -1.505 2.610 -1.193) 3.240 13.072 ( -3.647 -2.044 0.336) 4.194 13.127 ( -10.036 -0.445 1.640) 10.179 13.572 ( 1.262 -1.783 -0.406) 2.222 13.753 ( -3.567 -1.495 4.660) 6.056 13.967 ( 5.973 1.439 -3.157) 6.907 14.175 ( 3.300 2.453 -4.966) 6.447 14.753 ( 5.194 2.720 1.628) 6.085 14.803 ( 8.921 2.742 1.053) 9.392 14.899 ( -1.602 0.402 6.355) 6.566 15.079 ( 7.069 1.490 -3.963) 8.240 15.680 ( 10.816 5.588 -3.034) 12.546 15.764 ( 3.407 5.929 -0.998) 6.910 15.807 ( -0.089 3.760 4.576) 5.923 15.913 ( 6.755 2.232 -1.973) 7.382 16.498 ( 4.064 -5.028 -6.156) 8.927 16.543 ( -2.051 -3.551 4.171) 5.849 16.837 ( -0.254 1.486 -1.509) 2.133 16.931 ( -1.694 -3.496 1.991) 4.365 17.014 ( -1.799 -2.502 -2.049) 3.700 17.093 ( -1.581 1.497 1.043) 2.415 17.153 ( -2.823 0.341 0.784) 2.949 17.191 ( -1.462 -1.336 4.080) 4.535 19.957 ( 7.554 3.110 2.391) 8.511 20.056 ( 8.001 6.178 -2.430) 10.397 21.264 ( -7.046 1.135 -2.719) 7.637 21.349 ( -7.273 0.977 2.935) 7.903 22.948 ( -1.372 -6.266 -7.710) 10.030 22.980 ( -6.089 -5.202 8.470) 11.656 27.929 ( -0.558 0.050 4.256) 4.292 28.136 ( -5.076 5.463 -4.816) 8.877 29.592 ( 4.786 1.902 -2.334) 5.654 29.722 ( 0.966 2.827 1.221) 3.227 29.961 ( 2.168 2.411 0.726) 3.323 30.097 ( 0.961 0.098 0.240) 0.996 31.028 ( 4.042 -0.166 1.340) 4.261 31.131 ( 2.794 -0.181 -2.043) 3.466 31.256 ( -0.384 -6.487 -0.332) 6.507 31.502 ( -5.428 -10.088 1.132) 11.511 31.843 ( -0.660 2.415 -0.988) 2.692 31.899 ( -4.955 -2.494 2.017) 5.903 32.040 ( 0.722 3.027 4.091) 5.140 32.159 ( 0.297 -0.603 -4.058) 4.113 32.505 ( 4.635 -0.885 0.494) 4.744 32.617 ( 6.732 1.185 1.599) 7.021 32.873 ( 4.674 4.019 -3.695) 7.187 33.112 ( -0.585 -0.192 4.963) 5.001 34.441 ( 1.663 -6.042 -2.006) 6.580 34.488 ( -2.512 -6.918 3.046) 7.966 34.979 ( -4.057 2.971 -1.585) 5.272 35.235 ( -12.966 -2.963 -3.095) 13.656 36.103 ( 8.943 3.421 -1.697) 9.724 36.282 ( 2.463 11.110 7.475) 13.615 36.552 ( 10.743 13.698 -8.188) 19.238 37.309 ( -12.303 3.237 0.541) 12.733 ======================= Grid point 193 (87/95) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 4.460 -7.914 -0.406) 9.094 2.014 ( -2.048 -0.038 0.002) 2.048 2.118 ( 0.489 1.211 -2.710) 3.008 2.229 ( 6.704 -4.961 -5.583) 10.036 2.483 ( 7.243 -2.759 11.726) 14.056 2.660 ( 9.336 5.489 -0.136) 10.831 2.861 ( -6.126 3.899 -1.692) 7.456 2.971 ( -7.292 -2.099 3.289) 8.270 3.111 ( 6.201 -5.823 -1.394) 8.619 3.245 ( 0.383 1.056 -6.393) 6.491 3.407 ( 7.808 3.378 -2.209) 8.789 3.480 ( 0.766 -1.346 4.430) 4.693 3.659 ( 0.301 -3.812 -7.233) 8.182 3.763 ( -5.948 -4.143 2.040) 7.530 3.904 ( 2.522 5.816 2.479) 6.807 3.929 ( -4.394 2.813 4.535) 6.913 4.156 ( -6.583 0.262 -0.361) 6.598 4.278 ( -10.551 0.910 -2.749) 10.941 4.413 ( 2.119 -4.822 6.550) 8.406 4.513 ( 1.892 -6.663 -5.892) 9.093 4.606 ( -4.203 0.687 2.189) 4.788 4.656 ( -0.685 1.653 -6.186) 6.439 4.805 ( 1.190 1.173 8.231) 8.398 4.862 ( 5.204 0.288 -3.317) 6.178 4.930 ( 4.074 -0.737 0.600) 4.184 5.065 ( 1.584 -0.185 -1.249) 2.026 5.267 ( 9.182 -3.417 2.170) 10.035 5.341 ( 4.764 4.587 0.666) 6.647 5.428 ( 3.119 1.080 -1.383) 3.579 5.706 ( -3.246 -1.513 -0.692) 3.647 5.785 ( 4.039 -4.538 0.577) 6.103 5.917 ( -2.906 0.289 -0.059) 2.921 6.025 ( -3.690 -1.870 2.012) 4.600 6.245 ( -13.334 -6.347 -2.031) 14.907 7.288 ( 2.128 -0.241 2.862) 3.575 7.421 ( -3.873 0.983 1.992) 4.465 7.527 ( 4.364 -5.408 -2.111) 7.263 7.698 ( -2.721 -2.678 0.807) 3.902 7.956 ( 2.834 8.504 -2.498) 9.305 8.024 ( -2.440 4.908 0.587) 5.512 8.389 ( -2.360 -5.785 -5.090) 8.059 8.437 ( -5.515 -7.337 1.663) 9.328 8.813 ( 3.462 3.534 2.021) 5.344 8.920 ( 0.245 2.737 1.915) 3.349 9.005 ( -1.144 4.262 -2.967) 5.318 9.099 ( -1.752 4.845 -0.951) 5.239 9.174 ( -0.847 0.342 3.001) 3.137 9.325 ( -2.356 -0.274 -3.822) 4.498 9.756 ( 0.881 -3.941 3.465) 5.322 9.987 ( -5.689 -3.637 -4.745) 8.253 10.255 ( 4.045 2.145 7.166) 8.504 10.483 ( -2.912 -0.040 -4.262) 5.162 10.932 ( 2.157 -0.894 2.762) 3.616 10.999 ( 0.621 0.900 -2.693) 2.907 11.453 ( 7.090 4.600 0.138) 8.453 11.655 ( -0.970 4.242 0.346) 4.365 11.921 ( -1.020 -1.091 1.317) 1.991 12.029 ( -3.068 -1.637 -1.509) 3.791 12.693 ( 5.331 2.854 -1.204) 6.166 12.822 ( 1.927 0.409 0.774) 2.116 13.035 ( -8.762 -1.247 1.998) 9.073 13.078 ( -5.078 -1.935 -1.820) 5.731 13.612 ( 1.753 -1.433 -0.652) 2.356 13.740 ( -4.242 -0.487 2.220) 4.812 13.992 ( 6.796 1.928 -0.902) 7.121 14.163 ( 1.292 0.951 -2.711) 3.150 14.748 ( 4.669 3.027 1.484) 5.759 14.854 ( 7.987 1.917 0.540) 8.231 14.903 ( 1.040 0.724 6.414) 6.538 15.085 ( 5.478 3.431 -5.577) 8.537 15.614 ( -0.688 7.544 -2.279) 7.911 15.679 ( -2.551 5.858 -0.103) 6.390 15.728 ( 3.188 6.792 3.001) 8.080 15.884 ( 0.340 4.946 -1.444) 5.163 16.576 ( 3.217 -3.112 -1.902) 4.864 16.650 ( 1.997 -6.040 1.682) 6.580 16.796 ( 0.328 2.629 -2.134) 3.402 16.969 ( -3.798 -1.827 -0.180) 4.218 17.000 ( -3.800 0.048 -0.026) 3.800 17.044 ( -2.353 -0.227 1.861) 3.009 17.167 ( 2.190 -1.043 -1.173) 2.694 17.217 ( -1.109 -1.730 2.556) 3.280 19.951 ( 4.548 5.294 1.640) 7.170 20.002 ( 3.273 5.925 -1.727) 6.986 21.211 ( -2.284 -1.549 -2.376) 3.642 21.297 ( -5.808 -1.592 2.530) 6.532 23.025 ( 0.898 -5.731 -8.093) 9.957 23.043 ( -4.546 -5.219 8.368) 10.859 27.937 ( 0.087 -0.047 2.772) 2.774 28.019 ( -2.203 3.156 -3.120) 4.954 29.602 ( 3.419 0.782 0.009) 3.507 29.710 ( -0.196 -0.118 0.042) 0.233 29.931 ( 2.947 3.936 -0.770) 4.976 30.063 ( -2.294 3.329 0.612) 4.089 31.065 ( 2.824 0.183 1.488) 3.197 31.137 ( 0.890 0.996 -1.764) 2.212 31.386 ( 3.508 -7.698 -2.332) 8.775 31.599 ( -6.407 -7.778 2.568) 10.399 31.814 ( 0.933 1.674 0.755) 2.060 31.895 ( -3.041 -0.856 -1.427) 3.467 32.039 ( 1.926 -0.408 6.962) 7.235 32.168 ( 0.528 -2.232 -6.768) 7.146 32.544 ( 3.392 1.332 0.866) 3.746 32.629 ( 2.076 3.175 1.673) 4.146 32.837 ( 4.828 4.310 -2.186) 6.831 33.076 ( -5.046 2.289 2.343) 6.016 34.578 ( 3.170 -8.657 -3.379) 9.819 34.607 ( -1.997 -8.309 4.725) 9.765 34.914 ( -1.085 1.461 -2.763) 3.308 35.130 ( -12.958 0.160 -0.172) 12.960 36.072 ( 4.984 14.658 -0.848) 15.505 36.100 ( 3.687 4.748 0.904) 6.079 36.522 ( 14.776 6.083 -0.801) 15.999 37.128 ( -13.958 3.135 0.093) 14.306 ======================= Grid point 194 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -0.649 9.110 1.152) 9.205 1.876 ( -3.676 9.502 -3.106) 10.651 2.226 ( 5.882 -5.788 -2.196) 8.540 2.285 ( 0.378 -0.702 -0.085) 0.802 2.531 ( 8.273 8.995 -2.789) 12.535 2.635 ( -3.986 10.859 9.878) 15.211 2.847 ( 5.623 -10.955 3.056) 12.688 3.002 ( -5.011 -5.658 -3.990) 8.547 3.211 ( 1.576 -2.719 2.452) 3.986 3.283 ( -1.882 -4.216 -5.952) 7.533 3.395 ( 7.098 3.543 -5.584) 9.701 3.445 ( -2.639 4.706 8.951) 10.452 3.686 ( 4.281 3.488 -2.648) 6.124 3.788 ( -6.812 0.370 0.771) 6.866 3.851 ( -0.295 -1.870 -0.127) 1.898 3.896 ( -1.711 0.078 2.049) 2.671 4.040 ( -4.683 1.186 3.911) 6.215 4.154 ( -8.063 0.064 -6.169) 10.152 4.462 ( 1.973 2.570 1.380) 3.521 4.540 ( -4.237 3.828 -1.816) 5.992 4.582 ( 1.779 -1.334 1.219) 2.535 4.625 ( -0.709 -0.300 -3.854) 3.930 4.838 ( 1.252 -0.645 1.567) 2.107 4.868 ( -1.186 -0.754 -0.015) 1.406 4.958 ( 2.671 0.942 3.149) 4.236 5.014 ( -1.278 2.023 -1.752) 2.966 5.301 ( 10.266 6.893 -2.799) 12.678 5.436 ( -1.667 2.603 0.358) 3.112 5.518 ( 8.596 -6.289 4.761) 11.667 5.692 ( -6.263 -3.885 -2.878) 7.912 5.890 ( 2.214 -2.500 2.520) 4.184 5.926 ( 7.007 -2.968 1.162) 7.698 6.048 ( 0.287 -4.451 -2.882) 5.311 6.233 ( -13.799 -7.770 -0.042) 15.836 7.315 ( 2.623 -0.090 1.818) 3.193 7.383 ( -3.442 -0.287 -1.020) 3.602 7.668 ( 5.133 -2.814 -3.512) 6.827 7.713 ( -1.732 1.090 3.862) 4.371 7.856 ( 3.981 3.050 0.831) 5.083 7.951 ( -4.328 -1.870 -1.153) 4.854 8.483 ( 0.662 -7.413 -1.554) 7.603 8.524 ( -3.465 -7.636 0.224) 8.388 8.777 ( 3.275 4.947 1.231) 6.059 8.854 ( -2.996 4.127 -1.726) 5.384 8.906 ( 0.494 4.812 2.418) 5.407 8.977 ( -4.756 3.978 -1.508) 6.381 9.247 ( 4.236 -4.344 3.152) 6.837 9.337 ( -2.545 -4.406 -3.885) 6.402 9.877 ( 5.071 -5.316 2.465) 7.749 9.996 ( -5.142 -4.620 -2.458) 7.336 10.310 ( 6.746 -0.333 4.061) 7.881 10.444 ( -4.736 -0.935 -3.202) 5.793 10.955 ( -1.181 0.614 5.388) 5.550 10.961 ( 1.373 2.630 -4.997) 5.811 11.413 ( 5.933 7.051 -0.319) 9.221 11.531 ( -5.992 6.285 0.369) 8.691 11.965 ( 2.166 -2.921 1.373) 3.887 12.029 ( -2.820 -2.543 -1.537) 4.097 12.719 ( 7.491 1.014 -1.957) 7.808 12.830 ( -3.178 -0.140 2.751) 4.206 13.020 ( -2.573 -3.838 0.025) 4.621 13.066 ( -4.563 -3.150 -1.234) 5.680 13.649 ( 2.811 -0.583 -0.298) 2.886 13.713 ( -3.642 -0.447 0.067) 3.670 14.028 ( 6.726 1.715 2.058) 7.240 14.136 ( -2.122 1.128 -2.508) 3.473 14.762 ( 9.371 3.551 0.312) 10.026 14.878 ( 1.935 1.740 1.110) 2.829 14.933 ( 3.347 0.368 5.561) 6.501 15.040 ( 1.250 3.571 -6.096) 7.175 15.426 ( -5.156 10.505 -0.220) 11.704 15.490 ( -8.767 9.574 0.119) 12.982 15.663 ( 5.304 7.187 0.559) 8.949 15.761 ( -4.262 6.649 -0.460) 7.911 16.659 ( 3.420 -2.232 2.822) 4.964 16.733 ( -2.204 -1.063 -3.131) 3.974 16.779 ( 5.587 -0.941 -0.246) 5.671 16.898 ( -7.062 0.441 -0.229) 7.080 17.010 ( 0.481 -0.277 -0.141) 0.572 17.030 ( -1.774 0.296 0.670) 1.919 17.209 ( 2.190 -1.791 -1.089) 3.031 17.239 ( -1.520 -1.715 1.367) 2.668 19.888 ( 1.987 5.830 0.488) 6.178 19.915 ( -0.516 5.459 -0.540) 5.510 21.259 ( 2.059 -4.530 -1.988) 5.358 21.308 ( -3.810 -4.158 2.120) 6.025 23.102 ( 2.202 -4.298 -7.370) 8.811 23.110 ( -3.070 -4.240 7.340) 9.015 27.948 ( 0.004 -0.373 1.828) 1.866 27.965 ( -0.589 0.965 -1.886) 2.199 29.634 ( 3.344 -0.042 2.162) 3.982 29.702 ( -2.155 -0.076 -1.333) 2.535 29.889 ( 3.652 4.011 -1.585) 5.651 29.965 ( -4.362 4.052 0.655) 5.990 31.081 ( 1.381 1.017 2.085) 2.700 31.111 ( -0.283 1.640 -2.061) 2.649 31.549 ( 5.804 -6.767 -2.359) 9.222 31.660 ( -6.550 -6.001 3.135) 9.420 31.795 ( 3.025 3.038 0.616) 4.331 31.862 ( -2.893 0.947 -1.321) 3.318 32.127 ( 3.448 -3.951 6.227) 8.140 32.206 ( 0.002 -4.184 -7.528) 8.613 32.528 ( 1.853 3.595 0.479) 4.073 32.567 ( -1.788 4.374 1.048) 4.840 32.810 ( 6.872 5.185 -0.498) 8.623 32.962 ( -8.207 4.188 0.647) 9.237 34.727 ( 1.900 -3.515 4.830) 6.269 34.773 ( 2.754 -11.216 -0.221) 11.551 34.878 ( 1.921 2.095 -10.308) 10.693 35.010 ( -13.152 -2.107 5.562) 14.434 35.927 ( 6.540 8.831 -0.104) 10.990 36.021 ( -3.154 5.075 0.433) 5.991 36.607 ( 18.904 2.111 -0.361) 19.025 36.956 ( -16.786 -0.101 -0.039) 16.786 ======================= Grid point 195 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.668 12.022 -10.040) 15.677 1.651 ( -0.668 12.022 10.040) 15.677 2.228 ( 2.023 10.512 -2.606) 11.017 2.228 ( -2.023 10.512 2.606) 11.017 2.478 ( 9.026 2.040 -14.243) 16.985 2.478 ( -9.026 2.040 14.243) 16.985 3.034 ( 0.491 -2.712 -2.640) 3.817 3.034 ( -0.491 -2.712 2.640) 3.817 3.195 ( 0.601 7.212 -9.197) 11.703 3.195 ( -0.601 7.212 9.197) 11.703 3.438 ( 2.560 -2.575 -8.260) 9.023 3.438 ( -2.560 -2.575 8.260) 9.023 3.627 ( 1.056 5.592 -4.519) 7.267 3.627 ( -1.056 5.592 4.519) 7.267 3.919 ( 1.794 -3.077 -5.050) 6.180 3.919 ( -1.794 -3.077 5.050) 6.180 4.104 ( -1.782 -3.264 -7.813) 8.653 4.104 ( 1.782 -3.264 7.813) 8.653 4.404 ( 2.902 6.177 -3.126) 7.507 4.404 ( -2.902 6.177 3.126) 7.507 4.635 ( 1.657 -2.282 -4.286) 5.131 4.635 ( -1.657 -2.282 4.286) 5.131 4.809 ( 2.871 5.268 -4.327) 7.397 4.809 ( -2.871 5.268 4.327) 7.397 5.022 ( -0.170 -4.049 -6.542) 7.695 5.022 ( 0.170 -4.049 6.542) 7.695 5.268 ( -6.300 7.878 -2.215) 10.328 5.268 ( 6.300 7.878 2.215) 10.328 5.662 ( -4.696 -1.483 -9.231) 10.462 5.662 ( 4.696 -1.483 9.231) 10.462 6.001 ( -0.170 -3.818 -3.502) 5.184 6.001 ( 0.170 -3.818 3.502) 5.184 6.238 ( -7.442 -8.686 -1.671) 11.559 6.238 ( 7.442 -8.686 1.671) 11.559 7.353 ( -1.959 -0.228 -4.439) 4.857 7.353 ( 1.959 -0.228 4.439) 4.857 7.648 ( 0.867 3.790 -4.064) 5.624 7.648 ( -0.867 3.790 4.064) 5.624 7.991 ( -6.809 -7.953 -1.556) 10.585 7.991 ( 6.809 -7.953 1.556) 10.585 8.613 ( -1.654 -5.187 -3.535) 6.492 8.613 ( 1.654 -5.187 3.535) 6.492 8.763 ( -3.088 -0.445 0.085) 3.121 8.763 ( 3.088 -0.445 -0.085) 3.121 8.875 ( -2.478 2.811 -2.207) 4.349 8.875 ( 2.478 2.811 2.207) 4.349 9.384 ( -1.567 -5.649 -5.685) 8.167 9.384 ( 1.567 -5.649 5.685) 8.167 10.020 ( -3.799 -4.705 -1.747) 6.295 10.020 ( 3.799 -4.705 1.747) 6.295 10.399 ( -2.914 -0.874 -4.779) 5.665 10.399 ( 2.914 -0.874 4.779) 5.665 10.925 ( 2.893 2.029 -4.608) 5.807 10.925 ( -2.893 2.029 4.608) 5.807 11.353 ( -7.433 7.014 0.053) 10.220 11.353 ( 7.433 7.014 -0.053) 10.220 12.057 ( -2.634 -4.308 -1.333) 5.222 12.057 ( 2.634 -4.308 1.333) 5.222 12.786 ( -7.787 -1.175 1.943) 8.111 12.786 ( 7.787 -1.175 -1.943) 8.111 13.101 ( -0.047 -5.113 -4.917) 7.093 13.101 ( 0.047 -5.113 4.917) 7.093 13.683 ( -3.282 0.209 -1.333) 3.549 13.683 ( 3.282 0.209 1.333) 3.549 14.067 ( -3.958 1.775 -4.562) 6.295 14.067 ( 3.958 1.775 4.562) 6.295 14.788 ( -7.180 6.377 -2.498) 9.923 14.788 ( 7.180 6.377 2.498) 9.923 14.979 ( -1.803 -0.577 -4.460) 4.845 14.979 ( 1.803 -0.577 4.460) 4.845 15.231 ( -5.591 10.943 -3.163) 12.689 15.231 ( 5.591 10.943 3.163) 12.689 15.598 ( -5.935 6.691 0.432) 8.954 15.598 ( 5.935 6.691 -0.432) 8.954 16.702 ( 0.064 1.044 -6.645) 6.727 16.702 ( -0.064 1.044 6.645) 6.727 16.851 ( -3.074 -1.078 -0.514) 3.298 16.851 ( 3.074 -1.078 0.514) 3.298 17.013 ( -0.149 0.050 -2.930) 2.934 17.013 ( 0.149 0.050 2.930) 2.934 17.255 ( 1.355 -1.625 -1.220) 2.442 17.255 ( -1.355 -1.625 1.220) 2.442 19.817 ( 1.209 4.505 -4.738) 6.648 19.817 ( -1.209 4.505 4.738) 6.648 21.364 ( 1.855 -5.282 -3.050) 6.375 21.364 ( -1.855 -5.282 3.050) 6.375 23.164 ( 2.780 -2.728 -7.813) 8.730 23.164 ( -2.780 -2.728 7.813) 8.730 27.962 ( 1.877 -1.150 -2.799) 3.560 27.962 ( -1.877 -1.150 2.799) 3.560 29.659 ( -1.509 1.823 -4.397) 4.993 29.659 ( 1.509 1.823 4.397) 4.993 29.875 ( -0.883 1.350 -2.143) 2.682 29.875 ( 0.883 1.350 2.143) 2.682 31.069 ( -0.142 2.139 -1.964) 2.907 31.069 ( 0.142 2.139 1.964) 2.907 31.694 ( -1.025 -4.433 -4.358) 6.300 31.694 ( 1.025 -4.433 4.358) 6.300 31.788 ( -3.845 2.876 -5.851) 7.569 31.788 ( 3.845 2.876 5.851) 7.569 32.245 ( -2.727 -3.858 -5.488) 7.241 32.245 ( 2.727 -3.858 5.488) 7.241 32.474 ( -1.581 4.405 0.085) 4.681 32.474 ( 1.581 4.405 -0.085) 4.681 32.793 ( -2.841 5.831 -4.520) 7.906 32.793 ( 2.841 5.831 4.520) 7.906 34.746 ( -1.248 6.078 -11.354) 12.939 34.746 ( 1.248 6.078 11.354) 12.939 35.048 ( 0.065 -12.297 -7.358) 14.331 35.048 ( -0.065 -12.297 7.358) 14.331 35.897 ( -1.204 3.027 -4.925) 5.905 35.897 ( 1.204 3.027 4.925) 5.905 36.817 ( -19.933 -4.735 -0.614) 20.497 36.817 ( 19.933 -4.735 0.614) 20.497 ======================= Grid point 201 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.263 -0.000 -11.467) 13.574 1.557 ( 0.079 -0.000 18.041) 18.041 2.014 ( 4.895 -0.000 -1.656) 5.167 2.272 ( 16.348 -0.000 5.239) 17.167 2.485 ( 8.968 -0.000 -35.123) 36.250 2.813 ( -0.232 0.000 -0.635) 0.676 2.889 ( -4.357 0.000 2.385) 4.967 2.911 ( -9.411 0.000 18.678) 20.915 3.191 ( -0.325 0.000 10.049) 10.055 3.335 ( 1.693 -0.000 -9.540) 9.689 3.378 ( 7.562 -0.000 -6.670) 10.083 3.452 ( 12.168 -0.000 -0.192) 12.170 3.505 ( 1.279 -0.000 -5.697) 5.839 3.718 ( 5.038 -0.000 10.639) 11.772 3.734 ( -6.790 0.000 1.727) 7.007 4.002 ( 3.500 -0.000 -7.854) 8.599 4.089 ( 5.853 -0.000 10.859) 12.336 4.146 ( -5.166 0.000 -5.641) 7.649 4.304 ( 3.527 -0.000 -1.887) 4.000 4.317 ( -12.123 0.000 12.408) 17.347 4.580 ( 8.312 -0.000 3.164) 8.893 4.681 ( 8.064 -0.000 -3.463) 8.776 4.754 ( -0.919 0.000 6.419) 6.484 4.767 ( 3.609 -0.000 -6.694) 7.605 5.011 ( 8.171 -0.000 3.266) 8.799 5.018 ( 4.023 -0.000 -8.951) 9.813 5.370 ( -5.676 0.000 9.962) 11.466 5.474 ( 7.781 -0.000 -4.134) 8.811 5.608 ( 1.685 -0.000 -3.121) 3.546 5.666 ( -0.131 0.000 0.594) 0.609 5.713 ( -4.170 0.000 2.715) 4.976 5.794 ( -1.081 0.000 -2.533) 2.754 5.991 ( -11.270 0.000 -1.669) 11.393 6.009 ( -14.277 0.000 1.825) 14.393 7.180 ( -3.127 0.000 12.486) 12.871 7.441 ( -4.784 0.000 -8.283) 9.565 7.682 ( -1.753 0.000 4.679) 4.997 7.761 ( -1.632 0.000 -6.735) 6.930 7.998 ( -5.760 0.000 -2.264) 6.189 8.056 ( -8.682 0.000 -7.229) 11.298 8.314 ( 1.365 -0.000 -0.142) 1.372 8.382 ( -1.571 0.000 3.082) 3.459 8.873 ( 2.630 -0.000 4.330) 5.066 8.957 ( 6.556 -0.000 -2.115) 6.889 9.109 ( 4.292 -0.000 -5.764) 7.187 9.123 ( -0.420 0.000 -0.244) 0.486 9.447 ( -9.384 0.000 4.273) 10.311 9.454 ( -5.338 0.000 -2.807) 6.030 9.740 ( -5.358 0.000 1.042) 5.458 9.928 ( -9.516 0.000 -3.584) 10.168 10.367 ( -1.676 0.000 12.034) 12.150 10.485 ( 3.683 -0.000 -7.606) 8.450 10.866 ( 4.045 -0.000 0.083) 4.045 10.945 ( 1.479 -0.000 -2.154) 2.613 11.443 ( 11.238 -0.000 0.340) 11.243 11.681 ( 8.291 -0.000 0.286) 8.296 11.954 ( -6.012 0.000 0.239) 6.016 12.040 ( -5.174 0.000 -0.418) 5.191 12.869 ( -0.357 0.000 -3.789) 3.806 12.889 ( 0.823 -0.000 1.327) 1.562 13.002 ( -3.866 0.000 -1.232) 4.057 13.123 ( -10.849 0.000 5.064) 11.973 13.541 ( 2.421 -0.000 -1.004) 2.621 13.707 ( -4.368 0.000 6.577) 7.896 13.986 ( 7.190 -0.000 -3.200) 7.870 14.241 ( 0.504 -0.000 -8.799) 8.814 14.786 ( 3.432 -0.000 1.483) 3.739 14.834 ( -0.788 0.000 2.252) 2.386 14.943 ( 7.771 -0.000 5.120) 9.306 15.104 ( 8.784 -0.000 -2.151) 9.044 15.776 ( 14.434 -0.000 -0.955) 14.465 15.882 ( -0.249 0.000 8.729) 8.733 15.912 ( 5.770 -0.000 -2.804) 6.416 15.972 ( 10.004 -0.000 -6.126) 11.730 16.372 ( 2.283 -0.000 -5.036) 5.530 16.472 ( -4.381 0.000 3.785) 5.789 16.834 ( -3.531 0.000 1.854) 3.988 16.870 ( -0.044 0.000 0.803) 0.804 16.965 ( 0.468 -0.000 -5.714) 5.733 17.112 ( 0.339 -0.000 3.641) 3.657 17.147 ( 0.800 -0.000 0.068) 0.803 17.196 ( -9.144 0.000 5.645) 10.746 20.014 ( 9.492 -0.000 2.918) 9.930 20.216 ( 10.188 -0.000 -1.773) 10.341 21.286 ( -8.872 0.000 -2.766) 9.294 21.379 ( -8.542 0.000 2.571) 8.920 22.811 ( -1.845 0.000 -7.105) 7.341 22.868 ( -6.906 0.000 8.159) 10.689 27.931 ( -0.862 0.000 5.860) 5.923 28.250 ( -10.367 0.000 -6.382) 12.174 29.672 ( 5.941 -0.000 -0.703) 5.983 29.885 ( -2.469 0.000 0.592) 2.540 29.925 ( 3.201 -0.000 0.944) 3.337 30.062 ( 1.835 -0.000 0.265) 1.854 31.033 ( 5.847 -0.000 1.344) 5.999 31.124 ( -0.620 0.000 3.129) 3.190 31.138 ( 0.714 -0.000 -2.464) 2.565 31.258 ( 1.866 -0.000 -2.266) 2.936 31.851 ( -6.618 0.000 4.914) 8.243 31.887 ( -5.304 0.000 -3.613) 6.418 32.128 ( 0.257 -0.000 2.967) 2.978 32.141 ( 3.129 -0.000 -3.005) 4.338 32.476 ( 5.906 -0.000 0.242) 5.911 32.635 ( 9.175 -0.000 1.450) 9.288 32.970 ( 3.613 -0.000 -10.438) 11.046 33.078 ( 2.358 -0.000 12.520) 12.740 34.334 ( 0.169 -0.000 1.279) 1.290 34.367 ( -1.377 0.000 -0.170) 1.387 35.100 ( -9.766 0.000 8.592) 13.008 35.104 ( -6.775 0.000 -13.992) 15.546 36.170 ( 10.290 -0.000 -0.672) 10.312 36.415 ( 8.345 -0.000 9.602) 12.721 36.975 ( -1.216 0.000 -17.978) 18.019 37.310 ( -12.913 0.000 5.868) 14.184 ======================= Grid point 202 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 10.131 -10.123 -6.262) 15.631 1.681 ( -3.334 -10.018 13.203) 16.906 2.052 ( 6.502 0.112 -4.955) 8.176 2.321 ( -3.611 2.363 3.522) 5.571 2.576 ( 16.851 -4.751 -21.706) 27.887 2.682 ( 2.534 8.061 -2.246) 8.743 2.850 ( -7.271 0.476 11.784) 13.855 2.936 ( -7.734 -2.785 4.159) 9.212 3.213 ( 0.039 0.980 9.196) 9.248 3.321 ( 1.647 0.550 -10.188) 10.335 3.395 ( 6.309 1.588 -2.437) 6.947 3.499 ( 5.152 2.344 -2.255) 6.093 3.555 ( 4.555 -0.914 -5.645) 7.311 3.681 ( -8.269 -1.950 0.197) 8.499 3.859 ( 4.020 -4.647 13.001) 14.380 4.022 ( 1.519 -1.700 -11.538) 11.761 4.086 ( -4.599 -2.672 6.052) 8.057 4.159 ( -8.061 -2.022 8.658) 12.001 4.337 ( 7.645 -2.316 4.384) 9.112 4.357 ( 4.585 -1.983 0.487) 5.019 4.588 ( 1.072 3.982 0.131) 4.126 4.667 ( 2.106 1.585 -5.767) 6.341 4.816 ( 0.519 -3.771 1.053) 3.950 4.865 ( 7.744 -4.071 -3.569) 9.449 5.009 ( 2.778 3.592 -2.422) 5.146 5.036 ( 5.194 4.221 0.876) 6.750 5.291 ( -2.895 3.932 6.664) 8.262 5.487 ( -0.334 4.871 -8.017) 9.386 5.582 ( 4.879 2.163 1.315) 5.497 5.648 ( -0.455 -1.090 5.274) 5.405 5.703 ( -7.194 0.781 -1.208) 7.336 5.812 ( -1.105 -3.005 -2.070) 3.813 5.919 ( -1.785 -5.392 2.584) 6.240 6.023 ( -10.217 -7.906 -1.052) 12.962 7.211 ( -1.741 -2.471 12.534) 12.893 7.390 ( -3.052 -2.349 -9.884) 10.608 7.602 ( -2.019 6.638 4.618) 8.335 7.688 ( -3.778 3.172 -5.627) 7.484 8.003 ( -1.936 -4.966 -5.604) 7.733 8.035 ( -5.784 -6.500 -0.925) 8.750 8.318 ( 1.767 1.850 -0.909) 2.715 8.358 ( -1.040 2.736 2.687) 3.974 8.901 ( 3.186 1.676 4.911) 6.090 8.984 ( 3.855 2.048 -2.190) 4.884 9.108 ( 1.219 1.711 -0.567) 2.176 9.149 ( 4.861 -0.916 -4.055) 6.396 9.319 ( -7.158 5.139 1.007) 8.869 9.394 ( -6.036 1.323 -0.247) 6.184 9.693 ( -3.385 0.215 2.902) 4.464 9.861 ( -8.461 -3.409 -4.964) 10.385 10.359 ( 0.012 3.063 10.375) 10.818 10.491 ( 0.391 -0.064 -7.289) 7.300 10.907 ( 3.287 -0.463 2.142) 3.951 10.967 ( 1.534 -1.641 -3.039) 3.779 11.543 ( 10.533 0.994 0.877) 10.616 11.748 ( 5.929 0.995 0.236) 6.017 11.900 ( -5.284 -0.360 -0.053) 5.296 11.991 ( -4.953 -0.184 -0.609) 4.994 12.819 ( 2.402 3.700 -3.163) 5.429 12.881 ( 1.110 2.083 -0.042) 2.361 13.001 ( -2.822 -2.529 -0.576) 3.833 13.033 ( -10.827 0.350 4.716) 11.815 13.570 ( 3.179 -0.696 -1.675) 3.660 13.697 ( -4.970 -1.651 5.546) 7.628 14.040 ( 6.895 0.750 -2.246) 7.290 14.206 ( 0.048 1.372 -6.182) 6.332 14.795 ( -0.806 0.463 3.240) 3.371 14.828 ( -1.764 -0.703 0.658) 2.009 15.022 ( 10.797 3.028 3.454) 11.734 15.168 ( 7.057 1.085 -2.508) 7.568 15.845 ( 1.916 4.119 1.171) 4.691 15.878 ( 2.377 5.423 -2.367) 6.376 15.891 ( 5.389 2.661 2.403) 6.473 16.010 ( 5.589 2.510 -2.303) 6.545 16.436 ( 4.643 -4.698 -5.423) 8.546 16.476 ( -2.536 -3.017 3.739) 5.433 16.834 ( -1.495 -1.797 0.955) 2.525 16.868 ( -1.441 -0.745 0.776) 1.798 16.966 ( 0.550 -1.103 -5.000) 5.149 17.081 ( -6.706 1.207 1.868) 7.065 17.152 ( 1.118 0.072 0.723) 1.333 17.172 ( -0.926 -0.976 4.618) 4.810 20.093 ( 8.953 2.533 2.879) 9.739 20.235 ( 6.560 6.067 -2.376) 9.246 21.203 ( -5.691 0.281 -3.339) 6.604 21.295 ( -9.052 0.802 3.235) 9.646 22.824 ( 0.402 -4.636 -7.693) 8.991 22.867 ( -5.944 -3.996 8.470) 11.093 27.943 ( 0.193 0.174 5.308) 5.314 28.126 ( -6.687 2.277 -6.157) 9.371 29.683 ( 4.292 3.471 -0.628) 5.556 29.795 ( -1.113 5.064 0.583) 5.217 29.995 ( 2.955 -1.440 -0.038) 3.288 30.089 ( -0.381 -1.427 0.872) 1.715 31.085 ( 5.377 0.948 0.457) 5.479 31.143 ( 1.861 -0.526 -1.824) 2.659 31.167 ( 0.598 -4.299 1.489) 4.588 31.319 ( -2.189 -6.257 -0.419) 6.642 31.821 ( -4.904 -1.738 2.743) 5.881 31.833 ( -3.700 -0.166 -1.804) 4.120 32.110 ( 1.132 2.688 2.634) 3.930 32.156 ( 0.745 0.406 -2.903) 3.024 32.548 ( 6.757 -0.646 1.133) 6.882 32.702 ( 4.989 1.101 1.261) 5.262 32.952 ( 4.176 2.255 -7.606) 8.966 33.111 ( -3.171 -0.039 8.196) 8.788 34.369 ( 0.450 -3.387 0.601) 3.469 34.387 ( -1.027 -3.641 0.185) 3.787 34.986 ( -2.656 2.416 -3.825) 5.246 35.078 ( -8.607 -2.656 0.172) 9.009 36.244 ( 10.061 2.843 -1.031) 10.506 36.455 ( 0.997 5.085 8.156) 9.663 36.828 ( 7.481 10.637 -12.094) 17.758 37.215 ( -13.441 0.192 3.292) 13.840 ======================= Grid point 203 (92/95) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 10.312 -13.765 -3.236) 17.501 1.861 ( -7.201 -12.507 7.702) 16.358 2.116 ( 6.830 -1.327 -6.091) 9.247 2.234 ( -5.572 1.955 -0.100) 5.906 2.590 ( 7.601 4.263 6.783) 11.044 2.783 ( 9.022 -4.704 -20.260) 22.671 2.799 ( -3.814 2.101 3.522) 5.600 2.884 ( -9.091 -0.430 11.060) 14.323 3.194 ( 2.029 4.602 6.918) 8.554 3.264 ( -0.603 3.490 -8.371) 9.089 3.463 ( 5.935 -2.669 0.406) 6.521 3.514 ( 4.877 1.691 -0.275) 5.169 3.574 ( -0.573 -3.026 -5.601) 6.392 3.635 ( -8.893 -2.344 1.629) 9.340 3.954 ( 3.774 -0.391 6.814) 7.799 4.051 ( 4.139 1.897 -0.162) 4.556 4.102 ( -7.090 0.447 0.342) 7.113 4.147 ( -5.570 -4.273 -0.521) 7.039 4.397 ( -0.228 -0.720 3.036) 3.128 4.413 ( 1.721 -2.551 -2.660) 4.068 4.591 ( -0.458 -0.365 5.748) 5.777 4.637 ( -0.296 0.614 -8.078) 8.106 4.887 ( 3.736 -1.127 5.480) 6.728 4.941 ( 1.903 2.486 1.672) 3.549 4.967 ( 5.443 1.904 -3.759) 6.884 5.034 ( -0.151 -1.612 -3.148) 3.540 5.303 ( 6.856 -1.974 3.168) 7.807 5.402 ( -0.174 1.659 0.043) 1.669 5.517 ( 1.329 4.560 -1.451) 4.967 5.604 ( -8.086 0.100 -2.107) 8.356 5.778 ( 5.514 -4.583 2.286) 7.526 5.856 ( -2.541 -3.949 -0.837) 4.770 5.977 ( -1.700 -2.095 2.457) 3.649 6.039 ( -7.795 -4.391 -2.091) 9.188 7.302 ( 2.023 -3.254 8.917) 9.705 7.392 ( -1.711 -2.090 -7.618) 8.083 7.519 ( 1.042 1.945 4.199) 4.743 7.601 ( -4.726 -0.877 -4.187) 6.375 8.054 ( 1.672 -1.008 -4.156) 4.591 8.075 ( -2.208 -0.173 1.716) 2.802 8.297 ( -1.001 -0.904 -1.608) 2.099 8.306 ( -2.244 -0.003 1.316) 2.601 8.907 ( 3.347 2.705 3.418) 5.496 8.961 ( 0.041 2.204 -1.382) 2.602 9.075 ( 2.256 4.062 -1.098) 4.774 9.158 ( -6.514 5.051 0.924) 8.295 9.202 ( 5.944 1.198 -2.177) 6.442 9.304 ( -5.299 2.198 0.014) 5.737 9.720 ( 1.740 -3.284 5.207) 6.397 9.840 ( -6.570 -4.453 -6.244) 10.099 10.349 ( 2.597 2.519 8.413) 9.158 10.447 ( -2.657 1.090 -6.916) 7.488 10.953 ( 1.979 -0.673 4.110) 4.611 10.992 ( 0.490 -0.953 -4.134) 4.271 11.601 ( 8.872 3.619 0.517) 9.596 11.724 ( -1.967 4.632 0.504) 5.058 11.892 ( -0.049 -1.933 0.188) 1.942 11.956 ( -4.676 -1.523 -0.916) 5.002 12.793 ( 6.218 2.869 -3.376) 7.635 12.877 ( 3.003 2.080 2.750) 4.573 12.942 ( -8.198 -0.492 1.378) 8.328 12.995 ( -5.191 -1.503 -0.510) 5.429 13.614 ( 3.903 -1.118 -1.909) 4.487 13.687 ( -5.179 -1.277 3.434) 6.344 14.079 ( 6.102 1.319 -0.753) 6.289 14.165 ( -1.976 1.007 -2.718) 3.508 14.795 ( 0.900 0.021 1.609) 1.844 14.829 ( -2.353 -1.381 0.818) 2.848 15.069 ( 9.593 4.066 3.250) 10.914 15.170 ( 1.880 2.990 -3.489) 4.964 15.751 ( -0.702 8.365 -0.515) 8.410 15.757 ( -1.678 6.204 0.088) 6.427 15.893 ( 6.348 5.962 1.622) 8.858 15.969 ( -0.007 5.166 -1.897) 5.504 16.536 ( 2.790 -4.440 -2.939) 6.011 16.557 ( -0.287 -6.296 2.309) 6.712 16.837 ( 1.443 1.179 -0.681) 1.984 16.887 ( -3.498 -2.548 0.502) 4.356 16.974 ( 0.239 -0.815 -1.960) 2.136 17.013 ( -4.402 -0.124 1.809) 4.760 17.173 ( 2.348 -0.527 -2.139) 3.220 17.192 ( -1.441 -0.992 3.889) 4.265 20.099 ( 4.927 5.947 3.124) 8.331 20.147 ( 2.359 7.931 -3.041) 8.816 21.167 ( -0.249 -0.936 -3.316) 3.455 21.222 ( -7.123 -0.733 3.318) 7.892 22.910 ( 2.303 -6.461 -8.576) 10.982 22.928 ( -4.726 -6.007 8.864) 11.704 27.958 ( 1.163 0.584 4.083) 4.286 28.025 ( -3.403 2.081 -4.459) 5.982 29.664 ( 3.635 2.592 -0.195) 4.468 29.719 ( -1.927 2.490 0.248) 3.158 30.018 ( 3.953 2.183 -1.100) 4.648 30.081 ( -2.910 1.324 1.248) 3.432 31.110 ( 3.182 0.955 0.801) 3.418 31.149 ( -0.326 0.483 -1.094) 1.240 31.295 ( 5.187 -7.262 -1.521) 9.052 31.402 ( -6.262 -8.151 1.763) 10.428 31.820 ( -0.730 -1.202 -0.107) 1.410 31.832 ( -2.294 -2.690 0.173) 3.539 32.090 ( 1.186 1.945 5.288) 5.758 32.135 ( -0.170 0.493 -5.393) 5.418 32.610 ( 5.603 1.050 0.981) 5.784 32.690 ( -1.156 2.582 0.535) 2.879 32.946 ( 6.993 2.871 -3.922) 8.516 33.065 ( -6.590 1.886 4.047) 7.960 34.459 ( 1.087 -6.744 -1.531) 7.001 34.468 ( -1.178 -6.924 1.975) 7.295 34.942 ( 1.980 1.525 -2.966) 3.879 35.026 ( -8.238 -0.467 1.313) 8.355 36.243 ( 6.095 6.571 -0.841) 9.002 36.312 ( -1.872 11.092 2.003) 11.425 36.772 ( 14.936 7.006 -3.145) 16.795 37.050 ( -15.200 3.873 1.383) 15.747 ======================= Grid point 204 (93/95) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 2.190 -0.808 -7.115) 7.488 1.939 ( -2.190 -0.808 7.115) 7.488 2.191 ( -1.895 -3.918 -6.646) 7.944 2.191 ( 1.895 -3.918 6.646) 7.944 2.697 ( -7.918 0.069 -7.393) 10.833 2.697 ( 7.918 0.069 7.393) 10.833 2.835 ( 1.144 0.212 -6.334) 6.440 2.835 ( -1.144 0.212 6.334) 6.440 3.194 ( -2.608 -0.687 -3.112) 4.118 3.194 ( 2.608 -0.687 3.112) 4.118 3.506 ( 3.567 2.885 -5.496) 7.159 3.506 ( -3.567 2.885 5.496) 7.159 3.654 ( 4.197 -6.720 -6.042) 9.964 3.654 ( -4.197 -6.720 6.042) 9.964 3.970 ( -4.046 7.333 -1.026) 8.438 3.970 ( 4.046 7.333 1.026) 8.438 4.067 ( -5.166 0.997 -5.687) 7.747 4.067 ( 5.166 0.997 5.687) 7.747 4.478 ( -0.209 -4.481 -6.974) 8.292 4.478 ( 0.209 -4.481 6.974) 8.292 4.605 ( 1.064 -0.259 -6.970) 7.056 4.605 ( -1.064 -0.259 6.970) 7.056 4.873 ( -0.072 3.970 -6.811) 7.884 4.873 ( 0.072 3.970 6.811) 7.884 5.021 ( -1.878 0.488 -3.541) 4.038 5.021 ( 1.878 0.488 3.541) 4.038 5.422 ( 3.315 -1.338 -4.955) 6.109 5.422 ( -3.315 -1.338 4.955) 6.109 5.534 ( -10.028 -3.066 -2.544) 10.790 5.534 ( 10.028 -3.066 2.544) 10.790 5.883 ( 1.723 -2.686 -0.800) 3.290 5.883 ( -1.723 -2.686 0.800) 3.290 6.025 ( -5.131 -3.240 -1.698) 6.302 6.025 ( 5.131 -3.240 1.698) 6.302 7.355 ( -3.196 0.918 -0.767) 3.413 7.355 ( 3.196 0.918 0.767) 3.413 7.619 ( -1.410 -6.596 -2.455) 7.178 7.619 ( 1.410 -6.596 2.455) 7.178 7.990 ( 1.391 7.454 -1.695) 7.770 7.990 ( -1.391 7.454 1.695) 7.770 8.366 ( 2.519 -7.252 -2.347) 8.028 8.366 ( -2.519 -7.252 2.347) 8.028 8.893 ( -1.026 3.849 -4.236) 5.815 8.893 ( 1.026 3.849 4.236) 5.815 9.016 ( -2.836 5.569 -1.242) 6.372 9.016 ( 2.836 5.569 1.242) 6.372 9.247 ( -0.451 -1.133 -7.484) 7.583 9.247 ( 0.451 -1.133 7.484) 7.583 9.848 ( -4.304 -5.193 -6.403) 9.300 9.848 ( 4.304 -5.193 6.403) 9.300 10.379 ( -2.628 0.494 -8.378) 8.795 10.379 ( 2.628 0.494 8.378) 8.795 10.980 ( 0.585 0.631 -6.382) 6.439 10.980 ( -0.585 0.631 6.382) 6.439 11.587 ( -5.996 6.429 0.116) 8.792 11.587 ( 5.996 6.429 -0.116) 8.792 11.949 ( -3.093 -2.493 -1.596) 4.281 11.949 ( 3.093 -2.493 1.596) 4.281 12.813 ( 7.564 2.188 -4.082) 8.869 12.813 ( -7.564 2.188 4.082) 8.869 12.971 ( -0.300 -2.507 -2.633) 3.648 12.971 ( 0.300 -2.507 2.633) 3.648 13.666 ( 0.792 -0.914 -1.150) 1.669 13.666 ( -0.792 -0.914 1.150) 1.669 14.111 ( -4.902 1.065 -1.200) 5.158 14.111 ( 4.902 1.065 1.200) 5.158 14.829 ( 1.192 -1.267 -4.790) 5.096 14.829 ( -1.192 -1.267 4.790) 5.096 15.081 ( -4.818 4.537 -4.254) 7.867 15.081 ( 4.818 4.537 4.254) 7.867 15.602 ( -2.371 9.842 -0.253) 10.126 15.602 ( 2.371 9.842 0.253) 10.126 15.835 ( -4.151 7.115 -1.604) 8.392 15.835 ( 4.151 7.115 1.604) 8.392 16.640 ( 0.681 -4.765 -3.858) 6.169 16.640 ( -0.681 -4.765 3.858) 6.169 16.845 ( 0.576 1.151 -5.234) 5.390 16.845 ( -0.576 1.151 5.234) 5.390 17.007 ( 0.100 -1.315 -1.102) 1.718 17.007 ( -0.100 -1.315 1.102) 1.718 17.201 ( 2.143 -1.183 -2.536) 3.525 17.201 ( -2.143 -1.183 2.536) 3.525 20.016 ( 0.808 7.303 -5.256) 9.033 20.016 ( -0.808 7.303 5.256) 9.033 21.212 ( 2.414 -3.192 -4.000) 5.658 21.212 ( -2.414 -3.192 4.000) 5.658 23.017 ( 3.442 -5.892 -9.255) 11.498 23.017 ( -3.442 -5.892 9.255) 11.498 27.967 ( -1.006 1.040 -3.220) 3.530 27.967 ( 1.006 1.040 3.220) 3.530 29.672 ( -1.119 0.455 -2.851) 3.096 29.672 ( 1.119 0.455 2.851) 3.096 29.999 ( -1.508 4.244 0.001) 4.504 29.999 ( 1.508 4.244 -0.001) 4.504 31.119 ( -1.065 1.111 -2.182) 2.670 31.119 ( 1.065 1.111 2.182) 2.670 31.480 ( 4.950 -8.040 -2.163) 9.686 31.480 ( -4.950 -8.040 2.163) 9.686 31.843 ( -1.685 -0.317 -1.112) 2.043 31.843 ( 1.685 -0.317 1.112) 2.043 32.118 ( -1.298 -1.882 -7.862) 8.188 32.118 ( 1.298 -1.882 7.862) 8.188 32.615 ( -3.124 3.502 0.029) 4.693 32.615 ( 3.124 3.502 -0.029) 4.693 32.956 ( 1.094 3.745 -7.740) 8.668 32.956 ( -1.094 3.745 7.740) 8.668 34.603 ( 1.847 -9.652 -4.407) 10.770 34.603 ( -1.847 -9.652 4.407) 10.770 34.947 ( 4.172 1.960 -11.445) 12.338 34.947 ( -4.172 1.960 11.445) 12.338 36.128 ( 2.211 9.775 -7.739) 12.662 36.128 ( -2.211 9.775 7.739) 12.662 36.828 ( -8.950 4.038 -5.470) 11.240 36.828 ( 8.950 4.038 5.470) 11.240 ======================= Grid point 212 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 13.252 -0.000 -7.036) 15.004 1.585 ( -7.482 0.000 12.050) 14.184 2.108 ( 6.718 -0.000 -1.511) 6.886 2.264 ( -9.105 0.000 -1.501) 9.228 2.635 ( 16.337 -0.000 -17.314) 23.805 2.769 ( -4.113 0.000 1.724) 4.459 2.828 ( -1.991 0.000 -0.723) 2.119 2.839 ( -7.433 0.000 12.803) 14.804 3.238 ( -0.654 0.000 11.796) 11.814 3.299 ( 0.890 -0.000 -12.068) 12.100 3.449 ( 5.185 -0.000 -3.031) 6.005 3.564 ( 5.663 -0.000 -5.398) 7.824 3.573 ( -6.129 0.000 -0.106) 6.129 3.597 ( -1.310 0.000 2.435) 2.765 3.911 ( 6.568 -0.000 12.350) 13.988 3.990 ( 4.525 -0.000 -16.865) 17.462 4.055 ( -12.210 0.000 17.639) 21.453 4.055 ( -3.238 0.000 -2.497) 4.089 4.399 ( 6.697 -0.000 1.095) 6.786 4.419 ( 8.578 -0.000 5.918) 10.421 4.621 ( -2.882 0.000 -2.136) 3.587 4.670 ( -2.112 0.000 -9.584) 9.814 4.809 ( 4.423 -0.000 5.722) 7.232 4.889 ( 5.461 -0.000 -3.388) 6.427 5.009 ( 3.082 -0.000 -8.049) 8.619 5.123 ( -5.681 0.000 7.299) 9.249 5.340 ( 2.764 -0.000 6.356) 6.931 5.483 ( -4.755 0.000 -8.375) 9.631 5.629 ( 4.201 -0.000 2.049) 4.674 5.674 ( 1.007 -0.000 -0.806) 1.290 5.699 ( -1.101 0.000 2.126) 2.394 5.737 ( -4.912 0.000 0.210) 4.917 5.863 ( -1.363 0.000 -0.481) 1.445 5.871 ( -1.848 0.000 0.514) 1.918 7.208 ( -1.832 0.000 14.321) 14.437 7.295 ( -2.782 0.000 -13.070) 13.363 7.673 ( -1.584 0.000 5.018) 5.262 7.695 ( -0.731 0.000 -5.626) 5.673 7.904 ( -3.502 0.000 2.005) 4.036 7.911 ( -2.245 0.000 -5.679) 6.106 8.367 ( 3.712 -0.000 -3.146) 4.866 8.390 ( -1.083 0.000 4.509) 4.638 8.962 ( 2.888 -0.000 5.969) 6.631 9.022 ( 0.944 -0.000 -4.697) 4.791 9.143 ( 3.286 -0.000 0.185) 3.291 9.169 ( 3.606 -0.000 -2.673) 4.489 9.315 ( -4.826 0.000 1.004) 4.929 9.342 ( -5.252 0.000 -0.241) 5.257 9.679 ( -1.446 0.000 2.392) 2.795 9.742 ( -6.328 0.000 -3.821) 7.392 10.415 ( -0.551 0.000 11.835) 11.847 10.473 ( 0.712 -0.000 -10.105) 10.130 10.934 ( 1.733 -0.000 2.615) 3.137 10.955 ( 1.090 -0.000 -3.250) 3.428 11.654 ( 10.050 -0.000 1.214) 10.123 11.805 ( 0.010 -0.000 0.594) 0.594 11.847 ( -0.839 0.000 -1.288) 1.537 11.940 ( -5.413 0.000 -0.253) 5.418 12.859 ( 3.048 -0.000 -4.637) 5.549 12.912 ( 0.081 -0.000 0.189) 0.206 12.956 ( -0.954 0.000 -1.695) 1.945 12.963 ( -8.059 0.000 6.718) 10.492 13.592 ( 3.970 -0.000 -2.967) 4.956 13.651 ( -4.763 0.000 5.179) 7.037 14.104 ( 5.828 -0.000 -0.293) 5.835 14.191 ( -1.968 0.000 -4.672) 5.069 14.796 ( -1.286 0.000 3.498) 3.727 14.807 ( -1.070 0.000 -1.142) 1.565 15.148 ( 7.970 -0.000 2.696) 8.414 15.218 ( 2.603 -0.000 -2.230) 3.428 15.883 ( -0.722 0.000 1.965) 2.094 15.911 ( -2.522 0.000 -0.477) 2.567 16.002 ( 8.564 -0.000 -0.677) 8.590 16.066 ( 1.965 -0.000 -1.375) 2.398 16.417 ( 3.671 -0.000 -6.480) 7.447 16.433 ( -2.795 0.000 5.602) 6.261 16.812 ( 1.022 -0.000 0.424) 1.106 16.851 ( -2.135 0.000 0.642) 2.229 16.960 ( 2.890 -0.000 -5.373) 6.101 17.030 ( -7.103 0.000 3.232) 7.804 17.167 ( 1.695 -0.000 -2.701) 3.189 17.168 ( -0.969 0.000 5.728) 5.809 20.211 ( 8.757 -0.000 2.326) 9.061 20.317 ( 0.348 -0.000 -1.857) 1.889 21.163 ( -0.619 0.000 -3.602) 3.655 21.228 ( -8.257 0.000 3.380) 8.922 22.774 ( 2.299 -0.000 -7.433) 7.780 22.802 ( -5.093 0.000 7.918) 9.414 27.969 ( 1.469 -0.000 5.906) 6.086 28.066 ( -5.199 0.000 -6.514) 8.335 29.755 ( 3.667 -0.000 0.515) 3.703 29.827 ( -3.503 0.000 -0.412) 3.527 30.005 ( 4.366 -0.000 -0.763) 4.433 30.063 ( -2.180 0.000 1.384) 2.582 31.130 ( -0.711 0.000 3.175) 3.254 31.133 ( 1.237 -0.000 -3.229) 3.458 31.168 ( 6.416 -0.000 -0.290) 6.423 31.255 ( -2.140 0.000 -0.055) 2.141 31.775 ( -3.026 0.000 2.800) 4.123 31.788 ( -2.791 0.000 -2.218) 3.565 32.148 ( -0.107 0.000 3.305) 3.307 32.159 ( 0.997 -0.000 -3.521) 3.660 32.617 ( 7.523 -0.000 1.953) 7.772 32.731 ( -1.542 0.000 -0.584) 1.649 32.996 ( 7.097 -0.000 -8.558) 11.118 33.093 ( -6.327 0.000 8.842) 10.873 34.344 ( -0.158 0.000 1.574) 1.582 34.350 ( -0.084 0.000 -1.156) 1.159 34.980 ( 1.202 -0.000 -11.693) 11.755 34.995 ( -6.587 0.000 9.765) 11.779 36.366 ( 10.439 -0.000 -1.710) 10.578 36.505 ( -4.851 0.000 6.403) 8.033 36.951 ( 9.206 -0.000 -13.445) 16.295 37.109 ( -12.509 0.000 7.903) 14.797 ======================= Grid point 213 (95/95) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 10.253 -9.177 -7.664) 15.751 1.602 ( -10.253 -9.177 7.664) 15.751 2.175 ( -0.256 0.230 -5.461) 5.472 2.175 ( 0.256 0.230 5.461) 5.472 2.725 ( 0.631 0.673 -6.163) 6.232 2.725 ( -0.631 0.673 6.163) 6.232 2.816 ( 5.558 -0.755 -10.687) 12.069 2.816 ( -5.558 -0.755 10.687) 12.069 3.270 ( 0.248 0.498 -11.284) 11.297 3.270 ( -0.248 0.498 11.284) 11.297 3.510 ( -6.683 -0.604 0.441) 6.725 3.510 ( 6.683 -0.604 -0.441) 6.725 3.570 ( 1.439 1.715 -2.275) 3.192 3.570 ( -1.439 1.715 2.275) 3.192 4.001 ( -1.736 -1.695 -8.961) 9.284 4.001 ( 1.736 -1.695 8.961) 9.284 4.052 ( 4.183 -3.583 -13.003) 14.121 4.052 ( -4.183 -3.583 13.003) 14.121 4.434 ( -4.045 2.616 -0.549) 4.849 4.434 ( 4.045 2.616 0.549) 4.849 4.619 ( -2.238 0.080 -7.261) 7.598 4.619 ( 2.238 0.080 7.261) 7.598 4.896 ( -3.873 -2.645 -4.613) 6.579 4.896 ( 3.873 -2.645 4.613) 6.579 5.038 ( 6.685 2.074 -6.684) 9.678 5.038 ( -6.685 2.074 6.684) 9.678 5.383 ( -6.494 1.956 -5.593) 8.791 5.383 ( 6.494 1.956 5.593) 8.791 5.605 ( 0.340 5.176 -3.937) 6.513 5.605 ( -0.340 5.176 3.937) 6.513 5.747 ( -3.902 -4.521 -1.662) 6.199 5.747 ( 3.902 -4.521 1.662) 6.199 5.923 ( -1.393 -4.970 -0.295) 5.170 5.923 ( 1.393 -4.970 0.295) 5.170 7.278 ( -0.795 -4.100 -13.252) 13.895 7.278 ( 0.795 -4.100 13.252) 13.895 7.613 ( -0.266 5.548 -5.808) 8.037 7.613 ( 0.266 5.548 5.808) 8.037 7.969 ( 1.824 -7.117 -3.428) 8.108 7.969 ( -1.824 -7.117 3.428) 8.108 8.350 ( 1.864 3.903 -2.853) 5.181 8.350 ( -1.864 3.903 2.853) 5.181 8.983 ( -1.538 2.003 -4.765) 5.393 8.983 ( 1.538 2.003 4.765) 5.393 9.161 ( -3.434 1.799 -0.425) 3.900 9.161 ( 3.434 1.799 0.425) 3.900 9.285 ( 1.418 1.856 -2.835) 3.673 9.285 ( -1.418 1.856 2.835) 3.673 9.711 ( -3.293 -2.433 -4.761) 6.279 9.711 ( 3.293 -2.433 4.761) 6.279 10.430 ( -0.343 1.669 -10.761) 10.895 10.430 ( 0.343 1.669 10.761) 10.895 10.961 ( -0.055 -1.074 -4.500) 4.627 10.961 ( 0.055 -1.074 4.500) 4.627 11.732 ( -8.226 1.828 -0.557) 8.445 11.732 ( 8.226 1.828 0.557) 8.445 11.891 ( -4.805 -0.682 -0.055) 4.853 11.891 ( 4.805 -0.682 0.055) 4.853 12.879 ( 4.952 1.033 -3.637) 6.230 12.879 ( -4.952 1.033 3.637) 6.230 12.939 ( -2.578 0.314 -1.893) 3.213 12.939 ( 2.578 0.314 1.893) 3.213 13.630 ( 4.538 -0.958 -3.720) 5.945 13.630 ( -4.538 -0.958 3.720) 5.945 14.146 ( -3.994 0.812 -1.716) 4.422 14.146 ( 3.994 0.812 1.716) 4.422 14.800 ( 0.401 -0.338 -3.059) 3.104 14.800 ( -0.401 -0.338 3.059) 3.104 15.193 ( -3.442 1.912 -3.013) 4.958 15.193 ( 3.442 1.912 3.013) 4.958 15.849 ( -1.161 4.598 -0.417) 4.760 15.849 ( 1.161 4.598 0.417) 4.760 16.027 ( -2.664 3.540 -1.196) 4.589 16.027 ( 2.664 3.540 1.196) 4.589 16.466 ( 2.003 -4.338 -5.827) 7.536 16.466 ( -2.003 -4.338 5.827) 7.536 16.842 ( -1.251 -1.200 -0.571) 1.825 16.842 ( 1.251 -1.200 0.571) 1.825 16.980 ( 4.405 0.223 -4.267) 6.136 16.980 ( -4.405 0.223 4.267) 6.136 17.176 ( 1.593 -0.464 -4.166) 4.484 17.176 ( -1.593 -0.464 4.166) 4.484 20.245 ( -3.571 4.747 -2.879) 6.601 20.245 ( 3.571 4.747 2.879) 6.601 21.170 ( 4.469 0.205 -3.840) 5.896 21.170 ( -4.469 0.205 3.840) 5.896 22.821 ( 3.877 -4.396 -8.190) 10.071 22.821 ( -3.877 -4.396 8.190) 10.071 28.002 ( -2.701 0.714 -5.853) 6.486 28.002 ( 2.701 0.714 5.853) 6.486 29.752 ( -1.698 3.757 -1.408) 4.357 29.752 ( 1.698 3.757 1.408) 4.357 30.057 ( 3.353 -1.108 -1.372) 3.789 30.057 ( -3.353 -1.108 1.372) 3.789 31.140 ( 0.625 -0.400 -2.750) 2.848 31.140 ( -0.625 -0.400 2.750) 2.848 31.249 ( -5.420 -3.674 0.853) 6.603 31.249 ( 5.420 -3.674 -0.853) 6.603 31.783 ( 0.300 -1.746 -1.813) 2.535 31.783 ( -0.300 -1.746 1.813) 2.535 32.141 ( 0.211 1.544 -4.154) 4.437 32.141 ( -0.211 1.544 4.154) 4.437 32.683 ( -5.512 0.689 -1.484) 5.750 32.683 ( 5.512 0.689 1.484) 5.750 33.037 ( 6.433 1.192 -7.900) 10.258 33.037 ( -6.433 1.192 7.900) 10.258 34.376 ( 0.190 -3.524 -1.136) 3.708 34.376 ( -0.190 -3.524 1.136) 3.708 34.973 ( 4.045 0.074 -10.729) 11.466 34.973 ( -4.045 0.074 10.729) 11.466 36.408 ( 1.403 5.106 -3.998) 6.635 36.408 ( -1.403 5.106 3.998) 6.635 36.987 ( 5.411 3.693 -8.640) 10.843 36.987 ( -5.411 3.693 8.640) 10.843 =================== 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 3/36936 10.0 221.944 234.220 296.684 -0.000 25.348 -0.000 3/36936 20.0 36.793 36.037 58.654 0.000 -3.710 -0.000 3/36936 30.0 15.467 14.430 23.689 0.000 -2.119 -0.000 3/36936 40.0 9.053 8.208 13.526 0.000 -1.339 -0.000 3/36936 50.0 6.272 5.575 9.231 0.000 -0.955 -0.000 3/36936 60.0 4.788 4.190 6.955 0.000 -0.734 -0.000 3/36936 70.0 3.882 3.354 5.567 0.000 -0.593 -0.000 3/36936 80.0 3.278 2.801 4.640 0.000 -0.496 -0.000 3/36936 90.0 2.849 2.410 3.981 0.000 -0.426 -0.000 3/36936 100.0 2.531 2.120 3.490 0.000 -0.373 -0.000 3/36936 110.0 2.287 1.897 3.110 0.000 -0.333 -0.000 3/36936 120.0 2.095 1.720 2.809 0.000 -0.300 -0.000 3/36936 130.0 1.939 1.576 2.564 0.000 -0.274 -0.000 3/36936 140.0 1.810 1.457 2.360 0.000 -0.253 -0.000 3/36936 150.0 1.702 1.357 2.189 0.000 -0.235 -0.000 3/36936 160.0 1.610 1.271 2.042 0.000 -0.220 -0.000 3/36936 170.0 1.530 1.196 1.916 0.000 -0.207 -0.000 3/36936 180.0 1.459 1.131 1.805 0.000 -0.195 -0.000 3/36936 190.0 1.397 1.074 1.708 0.000 -0.185 -0.000 3/36936 200.0 1.341 1.023 1.621 0.000 -0.176 -0.000 3/36936 210.0 1.291 0.978 1.544 0.000 -0.169 -0.000 3/36936 220.0 1.245 0.936 1.474 0.000 -0.161 -0.000 3/36936 230.0 1.203 0.899 1.411 0.000 -0.155 -0.000 3/36936 240.0 1.164 0.865 1.353 0.000 -0.149 -0.000 3/36936 250.0 1.129 0.834 1.301 0.000 -0.144 -0.000 3/36936 260.0 1.096 0.806 1.252 0.000 -0.139 -0.000 3/36936 270.0 1.065 0.779 1.208 0.000 -0.134 -0.000 3/36936 280.0 1.036 0.755 1.167 0.000 -0.130 -0.000 3/36936 290.0 1.010 0.732 1.129 0.000 -0.126 -0.000 3/36936 300.0 0.984 0.711 1.094 0.000 -0.122 -0.000 3/36936 310.0 0.961 0.692 1.061 0.000 -0.119 -0.000 3/36936 320.0 0.938 0.673 1.030 0.000 -0.116 -0.000 3/36936 330.0 0.917 0.656 1.001 0.000 -0.113 -0.000 3/36936 340.0 0.897 0.640 0.974 0.000 -0.110 -0.000 3/36936 350.0 0.877 0.625 0.948 0.000 -0.107 -0.000 3/36936 360.0 0.859 0.610 0.924 0.000 -0.105 -0.000 3/36936 370.0 0.842 0.596 0.901 0.000 -0.102 -0.000 3/36936 380.0 0.825 0.583 0.879 0.000 -0.100 -0.000 3/36936 390.0 0.809 0.571 0.858 0.000 -0.098 -0.000 3/36936 400.0 0.794 0.559 0.839 0.000 -0.096 -0.000 3/36936 410.0 0.779 0.548 0.820 0.000 -0.094 -0.000 3/36936 420.0 0.765 0.537 0.802 0.000 -0.092 -0.000 3/36936 430.0 0.752 0.527 0.786 0.000 -0.090 -0.000 3/36936 440.0 0.739 0.517 0.769 0.000 -0.088 -0.000 3/36936 450.0 0.726 0.508 0.754 0.000 -0.087 -0.000 3/36936 460.0 0.714 0.499 0.739 0.000 -0.085 -0.000 3/36936 470.0 0.703 0.490 0.725 0.000 -0.083 -0.000 3/36936 480.0 0.691 0.481 0.711 0.000 -0.082 -0.000 3/36936 490.0 0.680 0.473 0.698 0.000 -0.080 -0.000 3/36936 500.0 0.670 0.466 0.685 0.000 -0.079 -0.000 3/36936 510.0 0.660 0.458 0.673 0.000 -0.078 -0.000 3/36936 520.0 0.650 0.451 0.661 0.000 -0.076 -0.000 3/36936 530.0 0.640 0.444 0.650 0.000 -0.075 -0.000 3/36936 540.0 0.631 0.437 0.639 0.000 -0.074 -0.000 3/36936 550.0 0.621 0.430 0.628 0.000 -0.073 -0.000 3/36936 560.0 0.613 0.424 0.618 0.000 -0.072 -0.000 3/36936 570.0 0.604 0.417 0.608 0.000 -0.071 -0.000 3/36936 580.0 0.596 0.411 0.598 0.000 -0.069 -0.000 3/36936 590.0 0.588 0.406 0.589 0.000 -0.068 -0.000 3/36936 600.0 0.580 0.400 0.580 0.000 -0.067 -0.000 3/36936 610.0 0.572 0.394 0.571 0.000 -0.066 -0.000 3/36936 620.0 0.564 0.389 0.563 0.000 -0.066 -0.000 3/36936 630.0 0.557 0.384 0.555 0.000 -0.065 -0.000 3/36936 640.0 0.550 0.379 0.547 0.000 -0.064 -0.000 3/36936 650.0 0.543 0.374 0.539 0.000 -0.063 -0.000 3/36936 660.0 0.536 0.369 0.531 0.000 -0.062 -0.000 3/36936 670.0 0.529 0.364 0.524 0.000 -0.061 -0.000 3/36936 680.0 0.523 0.359 0.517 0.000 -0.060 -0.000 3/36936 690.0 0.517 0.355 0.510 0.000 -0.060 -0.000 3/36936 700.0 0.510 0.351 0.503 0.000 -0.059 -0.000 3/36936 710.0 0.504 0.346 0.497 0.000 -0.058 -0.000 3/36936 720.0 0.498 0.342 0.490 0.000 -0.057 -0.000 3/36936 730.0 0.493 0.338 0.484 0.000 -0.057 -0.000 3/36936 740.0 0.487 0.334 0.478 0.000 -0.056 -0.000 3/36936 750.0 0.481 0.330 0.472 0.000 -0.055 -0.000 3/36936 760.0 0.476 0.326 0.466 0.000 -0.055 -0.000 3/36936 770.0 0.471 0.323 0.461 0.000 -0.054 -0.000 3/36936 780.0 0.466 0.319 0.455 0.000 -0.053 -0.000 3/36936 790.0 0.460 0.315 0.450 0.000 -0.053 -0.000 3/36936 800.0 0.456 0.312 0.444 0.000 -0.052 -0.000 3/36936 810.0 0.451 0.308 0.439 0.000 -0.052 -0.000 3/36936 820.0 0.446 0.305 0.434 0.000 -0.051 -0.000 3/36936 830.0 0.441 0.302 0.429 0.000 -0.050 -0.000 3/36936 840.0 0.437 0.299 0.424 0.000 -0.050 -0.000 3/36936 850.0 0.432 0.296 0.420 0.000 -0.049 -0.000 3/36936 860.0 0.428 0.292 0.415 0.000 -0.049 -0.000 3/36936 870.0 0.423 0.289 0.411 0.000 -0.048 -0.000 3/36936 880.0 0.419 0.286 0.406 0.000 -0.048 -0.000 3/36936 890.0 0.415 0.284 0.402 0.000 -0.047 -0.000 3/36936 900.0 0.411 0.281 0.398 0.000 -0.047 -0.000 3/36936 910.0 0.407 0.278 0.394 0.000 -0.046 -0.000 3/36936 920.0 0.403 0.275 0.390 0.000 -0.046 -0.000 3/36936 930.0 0.399 0.273 0.386 0.000 -0.045 -0.000 3/36936 940.0 0.395 0.270 0.382 0.000 -0.045 -0.000 3/36936 950.0 0.392 0.267 0.378 0.000 -0.044 -0.000 3/36936 960.0 0.388 0.265 0.374 0.000 -0.044 -0.000 3/36936 970.0 0.384 0.262 0.370 0.000 -0.044 -0.000 3/36936 980.0 0.381 0.260 0.367 0.000 -0.043 -0.000 3/36936 990.0 0.377 0.257 0.363 0.000 -0.043 -0.000 3/36936 1000.0 0.374 0.255 0.360 0.000 -0.042 -0.000 3/36936 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:02:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|