----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:59:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.589212549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): *1 Li 0.96876730240590 0.07169718226474 0.78252905797662 6.941 2 Li 0.53123269759410 0.07169718226474 0.28252905797662 6.941 3 Li 0.03123269759410 0.92830281773526 0.28252905797662 6.941 4 Li 0.46876730240590 0.92830281773526 0.78252905797662 6.941 *5 Ti 0.00126334678074 0.62756234441551 0.53213857038909 47.867 6 Ti 0.49873665321926 0.62756234441551 0.03213857038909 47.867 7 Ti 0.50126334678074 0.37243765558449 0.53213857038909 47.867 8 Ti 0.99873665321926 0.37243765558449 0.03213857038909 47.867 *9 Ti 0.00482526189011 0.13891460095923 0.46235116177752 47.867 10 Ti 0.49517473810989 0.13891460095923 0.96235116177752 47.867 11 Ti 0.99517473810989 0.86108539904077 0.96235116177752 47.867 12 Ti 0.50482526189011 0.86108539904077 0.46235116177752 47.867 *13 P 0.78641424386517 0.74643268366194 0.24982798441002 30.974 14 P 0.71358575613483 0.74643268366194 0.74982798441002 30.974 *15 P 0.35629913115010 0.60402876943328 0.38937056346079 30.974 16 P 0.14370086884990 0.60402876943328 0.88937056346079 30.974 17 P 0.85629913115010 0.39597123056672 0.38937056346079 30.974 18 P 0.64370086884990 0.39597123056672 0.88937056346079 30.974 19 P 0.21358575613483 0.25356731633807 0.74982798441002 30.974 20 P 0.28641424386517 0.25356731633807 0.24982798441002 30.974 *21 P 0.85388593121240 0.10473603309149 0.10801956078927 30.974 22 P 0.64611406878760 0.10473603309149 0.60801956078927 30.974 23 P 0.14611406878760 0.89526396690851 0.60801956078927 30.974 24 P 0.35388593121240 0.89526396690851 0.10801956078927 30.974 *25 O 0.41364735361113 0.72381401182616 0.43269605966542 15.999 26 O 0.08635264638887 0.72381401182616 0.93269605966542 15.999 *27 O 0.60822785370422 0.67349824194517 0.84886823692793 15.999 28 O 0.89177214629578 0.67349824194517 0.34886823692793 15.999 *29 O 0.81504085438715 0.67598899447872 0.64472735472093 15.999 30 O 0.68495914561285 0.67598899447872 0.14472735472093 15.999 *31 O 0.17995467154182 0.59899170326308 0.40641124333353 15.999 32 O 0.32004532845818 0.59899170326308 0.90641124333353 15.999 *33 O 0.09829980837824 0.58128008976993 0.72112739323250 15.999 34 O 0.40170019162176 0.58128008976993 0.22112739323250 15.999 *35 O 0.06657710978377 0.52229440510282 0.00203366285740 15.999 36 O 0.43342289021623 0.52229440510282 0.50203366285740 15.999 37 O 0.93342289021623 0.47770559489718 0.50203366285740 15.999 38 O 0.56657710978377 0.47770559489718 0.00203366285740 15.999 39 O 0.90170019162176 0.41871991023006 0.22112739323250 15.999 40 O 0.59829980837824 0.41871991023006 0.72112739323250 15.999 41 O 0.82004532845818 0.40100829673692 0.90641124333353 15.999 42 O 0.67995467154182 0.40100829673692 0.40641124333353 15.999 43 O 0.31504085438715 0.32401100552128 0.64472735472093 15.999 44 O 0.18495914561285 0.32401100552128 0.14472735472093 15.999 45 O 0.39177214629578 0.32650175805483 0.34886823692793 15.999 46 O 0.10822785370422 0.32650175805483 0.84886823692793 15.999 47 O 0.91364735361113 0.27618598817384 0.43269605966542 15.999 48 O 0.58635264638887 0.27618598817384 0.93269605966542 15.999 *49 O 0.91066835953943 0.22020928487341 0.06270419487159 15.999 50 O 0.58933164046057 0.22020928487341 0.56270419487159 15.999 *51 O 0.10598709132311 0.17195046301947 0.65865290888644 15.999 52 O 0.39401290867689 0.17195046301947 0.15865290888644 15.999 *53 O 0.18604302086263 0.17623075327180 0.35415517595295 15.999 54 O 0.31395697913737 0.17623075327180 0.85415517595295 15.999 *55 O 0.82578965800820 0.09562685808799 0.60604222315624 15.999 56 O 0.67421034199180 0.09562685808799 0.10604222315624 15.999 *57 O 0.90958587857584 0.07102085465816 0.27350882452079 15.999 58 O 0.59041412142416 0.07102085465816 0.77350882452079 15.999 *59 O 0.92218640924277 0.02014677091224 0.98963483307098 15.999 60 O 0.57781359075723 0.02014677091224 0.48963483307098 15.999 61 O 0.07781359075723 0.97985322908776 0.48963483307098 15.999 62 O 0.42218640924277 0.97985322908776 0.98963483307098 15.999 63 O 0.09041412142416 0.92897914534184 0.77350882452079 15.999 64 O 0.40958587857584 0.92897914534184 0.27350882452079 15.999 65 O 0.17421034199180 0.90437314191202 0.10604222315624 15.999 66 O 0.32578965800820 0.90437314191202 0.60604222315624 15.999 67 O 0.81395697913737 0.82376924672820 0.85415517595295 15.999 68 O 0.68604302086263 0.82376924672820 0.35415517595295 15.999 69 O 0.89401290867689 0.82804953698053 0.15865290888644 15.999 70 O 0.60598709132311 0.82804953698053 0.65865290888644 15.999 71 O 0.08933164046057 0.77979071512659 0.56270419487159 15.999 72 O 0.41066835953943 0.77979071512659 0.06270419487159 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.589212549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): *1 Li 0.96876730240590 0.07169718226474 0.78252905797662 6.941 > 1 2 Li 0.53123269759410 0.07169718226474 0.28252905797662 6.941 > 2 3 Li 0.03123269759410 0.92830281773526 0.28252905797662 6.941 > 3 4 Li 0.46876730240590 0.92830281773526 0.78252905797662 6.941 > 4 *5 Ti 0.00126334678074 0.62756234441551 0.53213857038909 47.867 > 5 6 Ti 0.49873665321926 0.62756234441551 0.03213857038909 47.867 > 6 7 Ti 0.50126334678074 0.37243765558449 0.53213857038909 47.867 > 7 8 Ti 0.99873665321926 0.37243765558449 0.03213857038909 47.867 > 8 *9 Ti 0.00482526189011 0.13891460095923 0.46235116177752 47.867 > 9 10 Ti 0.49517473810989 0.13891460095923 0.96235116177752 47.867 > 10 11 Ti 0.99517473810989 0.86108539904077 0.96235116177752 47.867 > 11 12 Ti 0.50482526189011 0.86108539904077 0.46235116177752 47.867 > 12 *13 P 0.78641424386517 0.74643268366194 0.24982798441002 30.974 > 13 14 P 0.71358575613483 0.74643268366194 0.74982798441002 30.974 > 14 *15 P 0.35629913115010 0.60402876943328 0.38937056346079 30.974 > 15 16 P 0.14370086884990 0.60402876943328 0.88937056346079 30.974 > 16 17 P 0.85629913115010 0.39597123056672 0.38937056346079 30.974 > 17 18 P 0.64370086884990 0.39597123056672 0.88937056346079 30.974 > 18 19 P 0.21358575613483 0.25356731633807 0.74982798441002 30.974 > 19 20 P 0.28641424386517 0.25356731633807 0.24982798441002 30.974 > 20 *21 P 0.85388593121240 0.10473603309149 0.10801956078927 30.974 > 21 22 P 0.64611406878760 0.10473603309149 0.60801956078927 30.974 > 22 23 P 0.14611406878760 0.89526396690851 0.60801956078927 30.974 > 23 24 P 0.35388593121240 0.89526396690851 0.10801956078927 30.974 > 24 *25 O 0.41364735361113 0.72381401182616 0.43269605966542 15.999 > 25 26 O 0.08635264638887 0.72381401182616 0.93269605966542 15.999 > 26 *27 O 0.60822785370422 0.67349824194517 0.84886823692793 15.999 > 27 28 O 0.89177214629578 0.67349824194517 0.34886823692793 15.999 > 28 *29 O 0.81504085438715 0.67598899447872 0.64472735472093 15.999 > 29 30 O 0.68495914561285 0.67598899447872 0.14472735472093 15.999 > 30 *31 O 0.17995467154182 0.59899170326308 0.40641124333353 15.999 > 31 32 O 0.32004532845818 0.59899170326308 0.90641124333353 15.999 > 32 *33 O 0.09829980837824 0.58128008976993 0.72112739323250 15.999 > 33 34 O 0.40170019162176 0.58128008976993 0.22112739323250 15.999 > 34 *35 O 0.06657710978377 0.52229440510282 0.00203366285740 15.999 > 35 36 O 0.43342289021623 0.52229440510282 0.50203366285740 15.999 > 36 37 O 0.93342289021623 0.47770559489718 0.50203366285740 15.999 > 37 38 O 0.56657710978377 0.47770559489718 0.00203366285740 15.999 > 38 39 O 0.90170019162176 0.41871991023006 0.22112739323250 15.999 > 39 40 O 0.59829980837824 0.41871991023006 0.72112739323250 15.999 > 40 41 O 0.82004532845818 0.40100829673692 0.90641124333353 15.999 > 41 42 O 0.67995467154182 0.40100829673692 0.40641124333353 15.999 > 42 43 O 0.31504085438715 0.32401100552128 0.64472735472093 15.999 > 43 44 O 0.18495914561285 0.32401100552128 0.14472735472093 15.999 > 44 45 O 0.39177214629578 0.32650175805483 0.34886823692793 15.999 > 45 46 O 0.10822785370422 0.32650175805483 0.84886823692793 15.999 > 46 47 O 0.91364735361113 0.27618598817384 0.43269605966542 15.999 > 47 48 O 0.58635264638887 0.27618598817384 0.93269605966542 15.999 > 48 *49 O 0.91066835953943 0.22020928487341 0.06270419487159 15.999 > 49 50 O 0.58933164046057 0.22020928487341 0.56270419487159 15.999 > 50 *51 O 0.10598709132311 0.17195046301947 0.65865290888644 15.999 > 51 52 O 0.39401290867689 0.17195046301947 0.15865290888644 15.999 > 52 *53 O 0.18604302086263 0.17623075327180 0.35415517595295 15.999 > 53 54 O 0.31395697913737 0.17623075327180 0.85415517595295 15.999 > 54 *55 O 0.82578965800820 0.09562685808799 0.60604222315624 15.999 > 55 56 O 0.67421034199180 0.09562685808799 0.10604222315624 15.999 > 56 *57 O 0.90958587857584 0.07102085465816 0.27350882452079 15.999 > 57 58 O 0.59041412142416 0.07102085465816 0.77350882452079 15.999 > 58 *59 O 0.92218640924277 0.02014677091224 0.98963483307098 15.999 > 59 60 O 0.57781359075723 0.02014677091224 0.48963483307098 15.999 > 60 61 O 0.07781359075723 0.97985322908776 0.48963483307098 15.999 > 61 62 O 0.42218640924277 0.97985322908776 0.98963483307098 15.999 > 62 63 O 0.09041412142416 0.92897914534184 0.77350882452079 15.999 > 63 64 O 0.40958587857584 0.92897914534184 0.27350882452079 15.999 > 64 65 O 0.17421034199180 0.90437314191202 0.10604222315624 15.999 > 65 66 O 0.32578965800820 0.90437314191202 0.60604222315624 15.999 > 66 67 O 0.81395697913737 0.82376924672820 0.85415517595295 15.999 > 67 68 O 0.68604302086263 0.82376924672820 0.35415517595295 15.999 > 68 69 O 0.89401290867689 0.82804953698053 0.15865290888644 15.999 > 69 70 O 0.60598709132311 0.82804953698053 0.65865290888644 15.999 > 70 71 O 0.08933164046057 0.77979071512659 0.56270419487159 15.999 > 71 72 O 0.41066835953943 0.77979071512659 0.06270419487159 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.178425099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): *1 Li 0.48438365120295 0.07169718226474 0.78252905797662 6.941 > 1 2 Li 0.98438365120295 0.07169718226474 0.78252905797662 6.941 > 1 3 Li 0.26561634879705 0.07169718226474 0.28252905797662 6.941 > 2 4 Li 0.76561634879705 0.07169718226474 0.28252905797662 6.941 > 2 5 Li 0.01561634879705 0.92830281773526 0.28252905797662 6.941 > 3 6 Li 0.51561634879705 0.92830281773526 0.28252905797662 6.941 > 3 7 Li 0.23438365120295 0.92830281773526 0.78252905797662 6.941 > 4 8 Li 0.73438365120295 0.92830281773526 0.78252905797662 6.941 > 4 *9 Ti 0.00063167339037 0.62756234441551 0.53213857038909 47.867 > 5 10 Ti 0.50063167339037 0.62756234441551 0.53213857038909 47.867 > 5 11 Ti 0.24936832660963 0.62756234441551 0.03213857038909 47.867 > 6 12 Ti 0.74936832660963 0.62756234441551 0.03213857038909 47.867 > 6 13 Ti 0.25063167339037 0.37243765558449 0.53213857038909 47.867 > 7 14 Ti 0.75063167339037 0.37243765558449 0.53213857038909 47.867 > 7 15 Ti 0.49936832660963 0.37243765558449 0.03213857038909 47.867 > 8 16 Ti 0.99936832660963 0.37243765558449 0.03213857038909 47.867 > 8 *17 Ti 0.00241263094505 0.13891460095923 0.46235116177752 47.867 > 9 18 Ti 0.50241263094505 0.13891460095923 0.46235116177752 47.867 > 9 19 Ti 0.24758736905495 0.13891460095923 0.96235116177752 47.867 > 10 20 Ti 0.74758736905495 0.13891460095923 0.96235116177752 47.867 > 10 21 Ti 0.49758736905495 0.86108539904077 0.96235116177752 47.867 > 11 22 Ti 0.99758736905495 0.86108539904077 0.96235116177752 47.867 > 11 23 Ti 0.25241263094505 0.86108539904077 0.46235116177752 47.867 > 12 24 Ti 0.75241263094505 0.86108539904077 0.46235116177752 47.867 > 12 *25 P 0.39320712193259 0.74643268366194 0.24982798441002 30.974 > 13 26 P 0.89320712193259 0.74643268366194 0.24982798441002 30.974 > 13 27 P 0.35679287806741 0.74643268366194 0.74982798441002 30.974 > 14 28 P 0.85679287806741 0.74643268366194 0.74982798441002 30.974 > 14 *29 P 0.17814956557505 0.60402876943328 0.38937056346079 30.974 > 15 30 P 0.67814956557505 0.60402876943328 0.38937056346079 30.974 > 15 31 P 0.07185043442495 0.60402876943328 0.88937056346079 30.974 > 16 32 P 0.57185043442495 0.60402876943328 0.88937056346079 30.974 > 16 33 P 0.42814956557505 0.39597123056672 0.38937056346079 30.974 > 17 34 P 0.92814956557505 0.39597123056672 0.38937056346079 30.974 > 17 35 P 0.32185043442495 0.39597123056672 0.88937056346079 30.974 > 18 36 P 0.82185043442495 0.39597123056672 0.88937056346079 30.974 > 18 37 P 0.10679287806741 0.25356731633807 0.74982798441002 30.974 > 19 38 P 0.60679287806741 0.25356731633807 0.74982798441002 30.974 > 19 39 P 0.14320712193259 0.25356731633807 0.24982798441002 30.974 > 20 40 P 0.64320712193259 0.25356731633807 0.24982798441002 30.974 > 20 *41 P 0.42694296560620 0.10473603309149 0.10801956078927 30.974 > 21 42 P 0.92694296560620 0.10473603309149 0.10801956078927 30.974 > 21 43 P 0.32305703439380 0.10473603309149 0.60801956078927 30.974 > 22 44 P 0.82305703439380 0.10473603309149 0.60801956078927 30.974 > 22 45 P 0.07305703439380 0.89526396690851 0.60801956078927 30.974 > 23 46 P 0.57305703439380 0.89526396690851 0.60801956078927 30.974 > 23 47 P 0.17694296560620 0.89526396690851 0.10801956078927 30.974 > 24 48 P 0.67694296560620 0.89526396690851 0.10801956078927 30.974 > 24 *49 O 0.20682367680556 0.72381401182616 0.43269605966542 15.999 > 25 50 O 0.70682367680556 0.72381401182616 0.43269605966542 15.999 > 25 51 O 0.04317632319444 0.72381401182616 0.93269605966542 15.999 > 26 52 O 0.54317632319444 0.72381401182616 0.93269605966542 15.999 > 26 *53 O 0.30411392685211 0.67349824194517 0.84886823692793 15.999 > 27 54 O 0.80411392685211 0.67349824194517 0.84886823692793 15.999 > 27 55 O 0.44588607314789 0.67349824194517 0.34886823692793 15.999 > 28 56 O 0.94588607314789 0.67349824194517 0.34886823692793 15.999 > 28 *57 O 0.40752042719358 0.67598899447872 0.64472735472093 15.999 > 29 58 O 0.90752042719358 0.67598899447872 0.64472735472093 15.999 > 29 59 O 0.34247957280642 0.67598899447872 0.14472735472093 15.999 > 30 60 O 0.84247957280642 0.67598899447872 0.14472735472093 15.999 > 30 *61 O 0.08997733577091 0.59899170326308 0.40641124333353 15.999 > 31 62 O 0.58997733577091 0.59899170326308 0.40641124333353 15.999 > 31 63 O 0.16002266422909 0.59899170326308 0.90641124333353 15.999 > 32 64 O 0.66002266422909 0.59899170326308 0.90641124333353 15.999 > 32 *65 O 0.04914990418912 0.58128008976993 0.72112739323250 15.999 > 33 66 O 0.54914990418912 0.58128008976993 0.72112739323250 15.999 > 33 67 O 0.20085009581088 0.58128008976993 0.22112739323250 15.999 > 34 68 O 0.70085009581088 0.58128008976993 0.22112739323250 15.999 > 34 *69 O 0.03328855489189 0.52229440510282 0.00203366285740 15.999 > 35 70 O 0.53328855489189 0.52229440510282 0.00203366285740 15.999 > 35 71 O 0.21671144510811 0.52229440510282 0.50203366285740 15.999 > 36 72 O 0.71671144510811 0.52229440510282 0.50203366285740 15.999 > 36 73 O 0.46671144510811 0.47770559489718 0.50203366285740 15.999 > 37 74 O 0.96671144510811 0.47770559489718 0.50203366285740 15.999 > 37 75 O 0.28328855489189 0.47770559489718 0.00203366285740 15.999 > 38 76 O 0.78328855489189 0.47770559489718 0.00203366285740 15.999 > 38 77 O 0.45085009581088 0.41871991023006 0.22112739323250 15.999 > 39 78 O 0.95085009581088 0.41871991023006 0.22112739323250 15.999 > 39 79 O 0.29914990418912 0.41871991023006 0.72112739323250 15.999 > 40 80 O 0.79914990418912 0.41871991023006 0.72112739323250 15.999 > 40 81 O 0.41002266422909 0.40100829673692 0.90641124333353 15.999 > 41 82 O 0.91002266422909 0.40100829673692 0.90641124333353 15.999 > 41 83 O 0.33997733577091 0.40100829673692 0.40641124333353 15.999 > 42 84 O 0.83997733577091 0.40100829673692 0.40641124333353 15.999 > 42 85 O 0.15752042719358 0.32401100552128 0.64472735472093 15.999 > 43 86 O 0.65752042719358 0.32401100552128 0.64472735472093 15.999 > 43 87 O 0.09247957280642 0.32401100552128 0.14472735472093 15.999 > 44 88 O 0.59247957280642 0.32401100552128 0.14472735472093 15.999 > 44 89 O 0.19588607314789 0.32650175805483 0.34886823692793 15.999 > 45 90 O 0.69588607314789 0.32650175805483 0.34886823692793 15.999 > 45 91 O 0.05411392685211 0.32650175805483 0.84886823692793 15.999 > 46 92 O 0.55411392685211 0.32650175805483 0.84886823692793 15.999 > 46 93 O 0.45682367680556 0.27618598817384 0.43269605966542 15.999 > 47 94 O 0.95682367680556 0.27618598817384 0.43269605966542 15.999 > 47 95 O 0.29317632319444 0.27618598817384 0.93269605966542 15.999 > 48 96 O 0.79317632319444 0.27618598817384 0.93269605966542 15.999 > 48 *97 O 0.45533417976971 0.22020928487341 0.06270419487159 15.999 > 49 98 O 0.95533417976971 0.22020928487341 0.06270419487159 15.999 > 49 99 O 0.29466582023029 0.22020928487341 0.56270419487159 15.999 > 50 100 O 0.79466582023029 0.22020928487341 0.56270419487159 15.999 > 50 *101 O 0.05299354566155 0.17195046301947 0.65865290888644 15.999 > 51 102 O 0.55299354566155 0.17195046301947 0.65865290888644 15.999 > 51 103 O 0.19700645433845 0.17195046301947 0.15865290888644 15.999 > 52 104 O 0.69700645433845 0.17195046301947 0.15865290888644 15.999 > 52 *105 O 0.09302151043131 0.17623075327180 0.35415517595295 15.999 > 53 106 O 0.59302151043131 0.17623075327180 0.35415517595295 15.999 > 53 107 O 0.15697848956869 0.17623075327180 0.85415517595295 15.999 > 54 108 O 0.65697848956869 0.17623075327180 0.85415517595295 15.999 > 54 *109 O 0.41289482900410 0.09562685808799 0.60604222315624 15.999 > 55 110 O 0.91289482900410 0.09562685808799 0.60604222315624 15.999 > 55 111 O 0.33710517099590 0.09562685808799 0.10604222315624 15.999 > 56 112 O 0.83710517099590 0.09562685808799 0.10604222315624 15.999 > 56 *113 O 0.45479293928792 0.07102085465816 0.27350882452079 15.999 > 57 114 O 0.95479293928792 0.07102085465816 0.27350882452079 15.999 > 57 115 O 0.29520706071208 0.07102085465816 0.77350882452079 15.999 > 58 116 O 0.79520706071208 0.07102085465816 0.77350882452079 15.999 > 58 *117 O 0.46109320462138 0.02014677091224 0.98963483307098 15.999 > 59 118 O 0.96109320462138 0.02014677091224 0.98963483307098 15.999 > 59 119 O 0.28890679537862 0.02014677091224 0.48963483307098 15.999 > 60 120 O 0.78890679537862 0.02014677091224 0.48963483307098 15.999 > 60 121 O 0.03890679537862 0.97985322908776 0.48963483307098 15.999 > 61 122 O 0.53890679537862 0.97985322908776 0.48963483307098 15.999 > 61 123 O 0.21109320462138 0.97985322908776 0.98963483307098 15.999 > 62 124 O 0.71109320462138 0.97985322908776 0.98963483307098 15.999 > 62 125 O 0.04520706071208 0.92897914534184 0.77350882452079 15.999 > 63 126 O 0.54520706071208 0.92897914534184 0.77350882452079 15.999 > 63 127 O 0.20479293928792 0.92897914534184 0.27350882452079 15.999 > 64 128 O 0.70479293928792 0.92897914534184 0.27350882452079 15.999 > 64 129 O 0.08710517099590 0.90437314191202 0.10604222315624 15.999 > 65 130 O 0.58710517099590 0.90437314191202 0.10604222315624 15.999 > 65 131 O 0.16289482900410 0.90437314191202 0.60604222315624 15.999 > 66 132 O 0.66289482900410 0.90437314191202 0.60604222315624 15.999 > 66 133 O 0.40697848956869 0.82376924672820 0.85415517595295 15.999 > 67 134 O 0.90697848956869 0.82376924672820 0.85415517595295 15.999 > 67 135 O 0.34302151043131 0.82376924672820 0.35415517595295 15.999 > 68 136 O 0.84302151043131 0.82376924672820 0.35415517595295 15.999 > 68 137 O 0.44700645433845 0.82804953698053 0.15865290888644 15.999 > 69 138 O 0.94700645433845 0.82804953698053 0.15865290888644 15.999 > 69 139 O 0.30299354566155 0.82804953698053 0.65865290888644 15.999 > 70 140 O 0.80299354566155 0.82804953698053 0.65865290888644 15.999 > 70 141 O 0.04466582023029 0.77979071512659 0.56270419487159 15.999 > 71 142 O 0.54466582023029 0.77979071512659 0.56270419487159 15.999 > 71 143 O 0.20533417976971 0.77979071512659 0.06270419487159 15.999 > 72 144 O 0.70533417976971 0.77979071512659 0.06270419487159 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0019378 0.0000000 0.0000000 0.0000000 3.9073173 0.0000000 0.0000000 0.0000000 3.9870739 -------------------------- Born effective charges -------------------------- 1 Li 0.9490012 0.0113006 0.0206605 -0.0787550 1.1469343 -0.2015372 -0.0299786 -0.1254003 1.1804337 2 Li 0.9490012 -0.0113006 -0.0206605 0.0787550 1.1469343 -0.2015372 0.0299786 -0.1254003 1.1804337 3 Li 0.9490012 0.0113006 -0.0206605 -0.0787550 1.1469343 0.2015372 0.0299786 0.1254003 1.1804337 4 Li 0.9490012 -0.0113006 0.0206605 0.0787550 1.1469343 0.2015372 -0.0299786 0.1254003 1.1804337 5 Ti 6.3030856 -0.1045799 -0.0013024 0.1247281 6.1072657 0.1673438 0.4748104 0.3694603 6.4167977 6 Ti 6.3030856 0.1045799 0.0013024 -0.1247281 6.1072657 0.1673438 -0.4748104 0.3694603 6.4167977 7 Ti 6.3030856 0.1045799 -0.0013024 -0.1247281 6.1072657 -0.1673438 0.4748104 -0.3694603 6.4167977 8 Ti 6.3030856 -0.1045799 0.0013024 0.1247281 6.1072657 -0.1673438 -0.4748104 -0.3694603 6.4167977 9 Ti 5.8582853 -0.0619724 0.0095952 -0.1851944 5.8645829 -0.2146563 0.2285218 -0.3667947 5.9283484 10 Ti 5.8582853 0.0619724 -0.0095952 0.1851944 5.8645829 -0.2146563 -0.2285218 -0.3667947 5.9283484 11 Ti 5.8582853 -0.0619724 -0.0095952 -0.1851944 5.8645829 0.2146563 -0.2285218 0.3667947 5.9283484 12 Ti 5.8582853 0.0619724 0.0095952 0.1851944 5.8645829 0.2146563 0.2285218 0.3667947 5.9283484 13 P 5.4875363 -0.2568951 0.0400767 -0.0906760 3.7644257 0.0643822 -0.0250785 -0.7492661 5.3540206 14 P 5.4875363 0.2568951 -0.0400767 0.0906760 3.7644257 0.0643822 0.0250785 -0.7492661 5.3540206 15 P 5.2075438 0.4095387 -0.2384871 -0.4686267 5.3942329 -1.2273280 -1.0674481 0.0956473 4.8547743 16 P 5.2075438 -0.4095387 0.2384871 0.4686267 5.3942329 -1.2273280 1.0674481 0.0956473 4.8547743 17 P 5.2075438 -0.4095387 -0.2384871 0.4686267 5.3942329 1.2273280 -1.0674481 -0.0956473 4.8547743 18 P 5.2075438 0.4095387 0.2384871 -0.4686267 5.3942329 1.2273280 1.0674481 -0.0956473 4.8547743 19 P 5.4875363 -0.2568951 -0.0400767 -0.0906760 3.7644257 -0.0643822 0.0250785 0.7492661 5.3540206 20 P 5.4875363 0.2568951 0.0400767 0.0906760 3.7644257 -0.0643822 -0.0250785 0.7492661 5.3540206 21 P 4.5719798 0.1341602 0.1230266 -0.3750693 4.7019211 1.2067974 0.8175707 -0.1405156 4.1844996 22 P 4.5719798 -0.1341602 -0.1230266 0.3750693 4.7019211 1.2067974 -0.8175707 -0.1405156 4.1844996 23 P 4.5719798 0.1341602 -0.1230266 -0.3750693 4.7019211 -1.2067974 -0.8175707 0.1405156 4.1844996 24 P 4.5719798 -0.1341602 0.1230266 0.3750693 4.7019211 -1.2067974 0.8175707 0.1405156 4.1844996 25 O -1.7468503 -1.4764190 -0.2257060 -1.2587323 -4.0239810 -0.4770064 -0.1589202 -0.6752445 -1.1793243 26 O -1.7468503 1.4764190 0.2257060 1.2587323 -4.0239810 -0.4770064 0.1589202 -0.6752445 -1.1793243 27 O -2.4627815 -0.9701239 1.5893701 -0.7258678 -1.5564503 0.8698936 1.5303337 1.2257038 -3.2517943 28 O -2.4627815 0.9701239 -1.5893701 0.7258678 -1.5564503 0.8698936 -1.5303337 1.2257038 -3.2517943 29 O -2.8461452 0.9240379 1.2081910 0.7850220 -1.4738503 -0.6466490 1.3673235 -0.7731449 -2.2393812 30 O -2.8461452 -0.9240379 -1.2081910 -0.7850220 -1.4738503 -0.6466490 -1.3673235 -0.7731449 -2.2393812 31 O -4.3303909 0.2179840 1.3872980 0.3791878 -1.2168076 -0.0489869 1.3479553 -0.1399917 -1.7136674 32 O -4.3303909 -0.2179840 -1.3872980 -0.3791878 -1.2168076 -0.0489869 -1.3479553 -0.1399917 -1.7136674 33 O -1.5545602 0.1956653 -1.0948709 0.0948486 -1.2988295 0.4875417 -1.3500376 0.3145878 -4.2211670 34 O -1.5545602 -0.1956653 1.0948709 -0.0948486 -1.2988295 0.4875417 1.3500376 0.3145878 -4.2211670 35 O -1.6441727 -1.0204321 0.4516169 -1.3211168 -4.1388385 1.3409823 0.3609822 1.0312744 -1.6037270 36 O -1.6441727 1.0204321 -0.4516169 1.3211168 -4.1388385 1.3409823 -0.3609822 1.0312744 -1.6037270 37 O -1.6441727 -1.0204321 -0.4516169 -1.3211168 -4.1388385 -1.3409823 -0.3609822 -1.0312744 -1.6037270 38 O -1.6441727 1.0204321 0.4516169 1.3211168 -4.1388385 -1.3409823 0.3609822 -1.0312744 -1.6037270 39 O -1.5545602 0.1956653 1.0948709 0.0948486 -1.2988295 -0.4875417 1.3500376 -0.3145878 -4.2211670 40 O -1.5545602 -0.1956653 -1.0948709 -0.0948486 -1.2988295 -0.4875417 -1.3500376 -0.3145878 -4.2211670 41 O -4.3303909 0.2179840 -1.3872980 0.3791878 -1.2168076 0.0489869 -1.3479553 0.1399917 -1.7136674 42 O -4.3303909 -0.2179840 1.3872980 -0.3791878 -1.2168076 0.0489869 1.3479553 0.1399917 -1.7136674 43 O -2.8461452 -0.9240379 1.2081910 -0.7850220 -1.4738503 0.6466490 1.3673235 0.7731449 -2.2393812 44 O -2.8461452 0.9240379 -1.2081910 0.7850220 -1.4738503 0.6466490 -1.3673235 0.7731449 -2.2393812 45 O -2.4627815 -0.9701239 -1.5893701 -0.7258678 -1.5564503 -0.8698936 -1.5303337 -1.2257038 -3.2517943 46 O -2.4627815 0.9701239 1.5893701 0.7258678 -1.5564503 -0.8698936 1.5303337 -1.2257038 -3.2517943 47 O -1.7468503 1.4764190 -0.2257060 1.2587323 -4.0239810 0.4770064 -0.1589202 0.6752445 -1.1793243 48 O -1.7468503 -1.4764190 0.2257060 -1.2587323 -4.0239810 0.4770064 0.1589202 0.6752445 -1.1793243 49 O -1.5217467 -0.9672734 0.1681684 -0.9846350 -3.6900981 0.3559653 0.0767296 0.4323753 -1.1847702 50 O -1.5217467 0.9672734 -0.1681684 0.9846350 -3.6900981 0.3559653 -0.0767296 0.4323753 -1.1847702 51 O -2.3030808 -0.8378569 -1.2918039 -0.6505309 -1.5652906 -0.5719038 -1.4108667 -1.0551280 -3.3043383 52 O -2.3030808 0.8378569 1.2918039 0.6505309 -1.5652906 -0.5719038 1.4108667 -1.0551280 -3.3043383 53 O -3.2085787 -1.0584330 1.4268373 -0.8465771 -1.5009714 0.6691375 1.4409723 0.6960180 -2.2481829 54 O -3.2085787 1.0584330 -1.4268373 0.8465771 -1.5009714 0.6691375 -1.4409723 0.6960180 -2.2481829 55 O -3.6908540 -0.1751223 0.8157996 -0.4054227 -1.2475835 0.1707505 0.8492203 0.2063724 -1.6924708 56 O -3.6908540 0.1751223 -0.8157996 0.4054227 -1.2475835 0.1707505 -0.8492203 0.2063724 -1.6924708 57 O -1.5907890 -0.1488949 -1.1314575 -0.0830355 -1.5448665 -0.6151968 -1.0689737 -0.2446788 -3.4602183 58 O -1.5907890 0.1488949 1.1314575 0.0830355 -1.5448665 -0.6151968 1.0689737 -0.2446788 -3.4602183 59 O -1.4774820 0.7618480 0.3765523 1.0784669 -3.7217954 -1.1187746 0.3485927 -0.7989639 -1.8198328 60 O -1.4774820 -0.7618480 -0.3765523 -1.0784669 -3.7217954 -1.1187746 -0.3485927 -0.7989639 -1.8198328 61 O -1.4774820 0.7618480 -0.3765523 1.0784669 -3.7217954 1.1187746 -0.3485927 0.7989639 -1.8198328 62 O -1.4774820 -0.7618480 0.3765523 -1.0784669 -3.7217954 1.1187746 0.3485927 0.7989639 -1.8198328 63 O -1.5907890 -0.1488949 1.1314575 -0.0830355 -1.5448665 0.6151968 1.0689737 0.2446788 -3.4602183 64 O -1.5907890 0.1488949 -1.1314575 0.0830355 -1.5448665 0.6151968 -1.0689737 0.2446788 -3.4602183 65 O -3.6908540 -0.1751223 -0.8157996 -0.4054227 -1.2475835 -0.1707505 -0.8492203 -0.2063724 -1.6924708 66 O -3.6908540 0.1751223 0.8157996 0.4054227 -1.2475835 -0.1707505 0.8492203 -0.2063724 -1.6924708 67 O -3.2085787 -1.0584330 -1.4268373 -0.8465771 -1.5009714 -0.6691375 -1.4409723 -0.6960180 -2.2481829 68 O -3.2085787 1.0584330 1.4268373 0.8465771 -1.5009714 -0.6691375 1.4409723 -0.6960180 -2.2481829 69 O -2.3030808 -0.8378569 1.2918039 -0.6505309 -1.5652906 0.5719038 1.4108667 1.0551280 -3.3043383 70 O -2.3030808 0.8378569 -1.2918039 0.6505309 -1.5652906 0.5719038 -1.4108667 1.0551280 -3.3043383 71 O -1.5217467 -0.9672734 -0.1681684 -0.9846350 -3.6900981 -0.3559653 -0.0767296 -0.4323753 -1.1847702 72 O -1.5217467 0.9672734 0.1681684 0.9846350 -3.6900981 -0.3559653 0.0767296 -0.4323753 -1.1847702 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 71 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 81 eigenvectors found. (2) Complementary block size: 61 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 566), data: False |-- (592, 36), data: (592, 62) @ (62, 36) |-- (92, 80), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 465), data: False |-- (500, 28), data: (500, 63) @ (63, 28) |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 566), data: False |-- (592, 35), data: (592, 61) @ (61, 35) |-- (92, 81), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 465), data: False |-- (500, 28), data: (500, 63) @ (63, 28) |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 565), data: False |-- (592, 26), data: (592, 53) @ (53, 26) |-- (92, 71), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 214), data: True |-- (250, 215), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 3.967 Solver_block: 200 / 2160 - Time: 3.434 Solver_block: 300 / 2160 - Time: 3.436 Solver_block: 400 / 2160 - Time: 3.442 Solver_block: 500 / 2160 - Time: 3.443 Solver_block: 600 / 2160 - Time: 3.435 Solver_block: 700 / 2160 - Time: 3.433 Solver_block: 800 / 2160 - Time: 3.433 Solver_block: 900 / 2160 - Time: 3.440 Solver_block: 1000 / 2160 - Time: 3.438 Solver_block: 1100 / 2160 - Time: 3.439 Solver_block: 1200 / 2160 - Time: 3.440 Solver_block: 1300 / 2160 - Time: 3.446 Solver_block: 1400 / 2160 - Time: 3.441 Solver_block: 1500 / 2160 - Time: 3.442 Solver_block: 1600 / 2160 - Time: 3.429 Solver_block: 1700 / 2160 - Time: 3.438 Solver_block: 1800 / 2160 - Time: 3.438 Solver_block: 1900 / 2160 - Time: 3.440 Solver_block: 2000 / 2160 - Time: 3.432 Solver_block: 2100 / 2160 - Time: 3.436 Solver_block: 2160 / 2160 - Time: 2.201 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 77.384 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 71 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 81 eigenvectors found. (2) Complementary block size: 61 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 80 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 332 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 33), data: (1350, 51) @ (51, 33) |-- (350, 332), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 566), data: False |-- (592, 36), data: (592, 62) @ (62, 36) |-- (92, 80), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 465), data: False |-- (500, 28), data: (500, 63) @ (63, 28) |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 566), data: False |-- (592, 35), data: (592, 61) @ (61, 35) |-- (92, 81), data: True |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 465), data: False |-- (500, 28), data: (500, 63) @ (63, 28) |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 468), data: False |-- (500, 26), data: (500, 58) @ (58, 26) |-- (250, 224), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 115), data: (2592, 151) @ (151, 115) |-- (592, 565), data: False |-- (592, 26), data: (592, 53) @ (53, 26) |-- (92, 71), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 214), data: True |-- (250, 215), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:03:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:03:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.589212549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): 1 Li 0.96876730240590 0.07169718226474 0.78252905797662 6.941 2 Li 0.53123269759410 0.07169718226474 0.28252905797662 6.941 3 Li 0.03123269759410 0.92830281773526 0.28252905797662 6.941 4 Li 0.46876730240590 0.92830281773526 0.78252905797662 6.941 5 Ti 0.00126334678074 0.62756234441551 0.53213857038909 47.867 6 Ti 0.49873665321926 0.62756234441551 0.03213857038909 47.867 7 Ti 0.50126334678074 0.37243765558449 0.53213857038909 47.867 8 Ti 0.99873665321926 0.37243765558449 0.03213857038909 47.867 9 Ti 0.00482526189011 0.13891460095923 0.46235116177752 47.867 10 Ti 0.49517473810989 0.13891460095923 0.96235116177752 47.867 11 Ti 0.99517473810989 0.86108539904077 0.96235116177752 47.867 12 Ti 0.50482526189011 0.86108539904077 0.46235116177752 47.867 13 P 0.78641424386517 0.74643268366194 0.24982798441002 30.974 14 P 0.71358575613483 0.74643268366194 0.74982798441002 30.974 15 P 0.35629913115010 0.60402876943328 0.38937056346079 30.974 16 P 0.14370086884990 0.60402876943328 0.88937056346079 30.974 17 P 0.85629913115010 0.39597123056672 0.38937056346079 30.974 18 P 0.64370086884990 0.39597123056672 0.88937056346079 30.974 19 P 0.21358575613483 0.25356731633807 0.74982798441002 30.974 20 P 0.28641424386517 0.25356731633807 0.24982798441002 30.974 21 P 0.85388593121240 0.10473603309149 0.10801956078927 30.974 22 P 0.64611406878760 0.10473603309149 0.60801956078927 30.974 23 P 0.14611406878760 0.89526396690851 0.60801956078927 30.974 24 P 0.35388593121240 0.89526396690851 0.10801956078927 30.974 25 O 0.41364735361113 0.72381401182616 0.43269605966542 15.999 26 O 0.08635264638887 0.72381401182616 0.93269605966542 15.999 27 O 0.60822785370422 0.67349824194517 0.84886823692793 15.999 28 O 0.89177214629578 0.67349824194517 0.34886823692793 15.999 29 O 0.81504085438715 0.67598899447872 0.64472735472093 15.999 30 O 0.68495914561285 0.67598899447872 0.14472735472093 15.999 31 O 0.17995467154182 0.59899170326308 0.40641124333353 15.999 32 O 0.32004532845818 0.59899170326308 0.90641124333353 15.999 33 O 0.09829980837824 0.58128008976993 0.72112739323250 15.999 34 O 0.40170019162176 0.58128008976993 0.22112739323250 15.999 35 O 0.06657710978377 0.52229440510282 0.00203366285740 15.999 36 O 0.43342289021623 0.52229440510282 0.50203366285740 15.999 37 O 0.93342289021623 0.47770559489718 0.50203366285740 15.999 38 O 0.56657710978377 0.47770559489718 0.00203366285740 15.999 39 O 0.90170019162176 0.41871991023006 0.22112739323250 15.999 40 O 0.59829980837824 0.41871991023006 0.72112739323250 15.999 41 O 0.82004532845818 0.40100829673692 0.90641124333353 15.999 42 O 0.67995467154182 0.40100829673692 0.40641124333353 15.999 43 O 0.31504085438715 0.32401100552128 0.64472735472093 15.999 44 O 0.18495914561285 0.32401100552128 0.14472735472093 15.999 45 O 0.39177214629578 0.32650175805483 0.34886823692793 15.999 46 O 0.10822785370422 0.32650175805483 0.84886823692793 15.999 47 O 0.91364735361113 0.27618598817384 0.43269605966542 15.999 48 O 0.58635264638887 0.27618598817384 0.93269605966542 15.999 49 O 0.91066835953943 0.22020928487341 0.06270419487159 15.999 50 O 0.58933164046057 0.22020928487341 0.56270419487159 15.999 51 O 0.10598709132311 0.17195046301947 0.65865290888644 15.999 52 O 0.39401290867689 0.17195046301947 0.15865290888644 15.999 53 O 0.18604302086263 0.17623075327180 0.35415517595295 15.999 54 O 0.31395697913737 0.17623075327180 0.85415517595295 15.999 55 O 0.82578965800820 0.09562685808799 0.60604222315624 15.999 56 O 0.67421034199180 0.09562685808799 0.10604222315624 15.999 57 O 0.90958587857584 0.07102085465816 0.27350882452079 15.999 58 O 0.59041412142416 0.07102085465816 0.77350882452079 15.999 59 O 0.92218640924277 0.02014677091224 0.98963483307098 15.999 60 O 0.57781359075723 0.02014677091224 0.48963483307098 15.999 61 O 0.07781359075723 0.97985322908776 0.48963483307098 15.999 62 O 0.42218640924277 0.97985322908776 0.98963483307098 15.999 63 O 0.09041412142416 0.92897914534184 0.77350882452079 15.999 64 O 0.40958587857584 0.92897914534184 0.27350882452079 15.999 65 O 0.17421034199180 0.90437314191202 0.10604222315624 15.999 66 O 0.32578965800820 0.90437314191202 0.60604222315624 15.999 67 O 0.81395697913737 0.82376924672820 0.85415517595295 15.999 68 O 0.68604302086263 0.82376924672820 0.35415517595295 15.999 69 O 0.89401290867689 0.82804953698053 0.15865290888644 15.999 70 O 0.60598709132311 0.82804953698053 0.65865290888644 15.999 71 O 0.08933164046057 0.77979071512659 0.56270419487159 15.999 72 O 0.41066835953943 0.77979071512659 0.06270419487159 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.178425099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): 1 Li 0.48438365120295 0.07169718226474 0.78252905797662 6.941 > 1 2 Li 0.98438365120295 0.07169718226474 0.78252905797662 6.941 > 1 3 Li 0.26561634879705 0.07169718226474 0.28252905797662 6.941 > 3 4 Li 0.76561634879705 0.07169718226474 0.28252905797662 6.941 > 3 5 Li 0.01561634879705 0.92830281773526 0.28252905797662 6.941 > 5 6 Li 0.51561634879705 0.92830281773526 0.28252905797662 6.941 > 5 7 Li 0.23438365120295 0.92830281773526 0.78252905797662 6.941 > 7 8 Li 0.73438365120295 0.92830281773526 0.78252905797662 6.941 > 7 9 Ti 0.00063167339037 0.62756234441551 0.53213857038909 47.867 > 9 10 Ti 0.50063167339037 0.62756234441551 0.53213857038909 47.867 > 9 11 Ti 0.24936832660963 0.62756234441551 0.03213857038909 47.867 > 11 12 Ti 0.74936832660963 0.62756234441551 0.03213857038909 47.867 > 11 13 Ti 0.25063167339037 0.37243765558449 0.53213857038909 47.867 > 13 14 Ti 0.75063167339037 0.37243765558449 0.53213857038909 47.867 > 13 15 Ti 0.49936832660963 0.37243765558449 0.03213857038909 47.867 > 15 16 Ti 0.99936832660963 0.37243765558449 0.03213857038909 47.867 > 15 17 Ti 0.00241263094505 0.13891460095923 0.46235116177752 47.867 > 17 18 Ti 0.50241263094505 0.13891460095923 0.46235116177752 47.867 > 17 19 Ti 0.24758736905495 0.13891460095923 0.96235116177752 47.867 > 19 20 Ti 0.74758736905495 0.13891460095923 0.96235116177752 47.867 > 19 21 Ti 0.49758736905495 0.86108539904077 0.96235116177752 47.867 > 21 22 Ti 0.99758736905495 0.86108539904077 0.96235116177752 47.867 > 21 23 Ti 0.25241263094505 0.86108539904077 0.46235116177752 47.867 > 23 24 Ti 0.75241263094505 0.86108539904077 0.46235116177752 47.867 > 23 25 P 0.39320712193259 0.74643268366194 0.24982798441002 30.974 > 25 26 P 0.89320712193259 0.74643268366194 0.24982798441002 30.974 > 25 27 P 0.35679287806741 0.74643268366194 0.74982798441002 30.974 > 27 28 P 0.85679287806741 0.74643268366194 0.74982798441002 30.974 > 27 29 P 0.17814956557505 0.60402876943328 0.38937056346079 30.974 > 29 30 P 0.67814956557505 0.60402876943328 0.38937056346079 30.974 > 29 31 P 0.07185043442495 0.60402876943328 0.88937056346079 30.974 > 31 32 P 0.57185043442495 0.60402876943328 0.88937056346079 30.974 > 31 33 P 0.42814956557505 0.39597123056672 0.38937056346079 30.974 > 33 34 P 0.92814956557505 0.39597123056672 0.38937056346079 30.974 > 33 35 P 0.32185043442495 0.39597123056672 0.88937056346079 30.974 > 35 36 P 0.82185043442495 0.39597123056672 0.88937056346079 30.974 > 35 37 P 0.10679287806741 0.25356731633807 0.74982798441002 30.974 > 37 38 P 0.60679287806741 0.25356731633807 0.74982798441002 30.974 > 37 39 P 0.14320712193259 0.25356731633807 0.24982798441002 30.974 > 39 40 P 0.64320712193259 0.25356731633807 0.24982798441002 30.974 > 39 41 P 0.42694296560620 0.10473603309149 0.10801956078927 30.974 > 41 42 P 0.92694296560620 0.10473603309149 0.10801956078927 30.974 > 41 43 P 0.32305703439380 0.10473603309149 0.60801956078927 30.974 > 43 44 P 0.82305703439380 0.10473603309149 0.60801956078927 30.974 > 43 45 P 0.07305703439380 0.89526396690851 0.60801956078927 30.974 > 45 46 P 0.57305703439380 0.89526396690851 0.60801956078927 30.974 > 45 47 P 0.17694296560620 0.89526396690851 0.10801956078927 30.974 > 47 48 P 0.67694296560620 0.89526396690851 0.10801956078927 30.974 > 47 49 O 0.20682367680556 0.72381401182616 0.43269605966542 15.999 > 49 50 O 0.70682367680556 0.72381401182616 0.43269605966542 15.999 > 49 51 O 0.04317632319444 0.72381401182616 0.93269605966542 15.999 > 51 52 O 0.54317632319444 0.72381401182616 0.93269605966542 15.999 > 51 53 O 0.30411392685211 0.67349824194517 0.84886823692793 15.999 > 53 54 O 0.80411392685211 0.67349824194517 0.84886823692793 15.999 > 53 55 O 0.44588607314789 0.67349824194517 0.34886823692793 15.999 > 55 56 O 0.94588607314789 0.67349824194517 0.34886823692793 15.999 > 55 57 O 0.40752042719358 0.67598899447872 0.64472735472093 15.999 > 57 58 O 0.90752042719358 0.67598899447872 0.64472735472093 15.999 > 57 59 O 0.34247957280642 0.67598899447872 0.14472735472093 15.999 > 59 60 O 0.84247957280642 0.67598899447872 0.14472735472093 15.999 > 59 61 O 0.08997733577091 0.59899170326308 0.40641124333353 15.999 > 61 62 O 0.58997733577091 0.59899170326308 0.40641124333353 15.999 > 61 63 O 0.16002266422909 0.59899170326308 0.90641124333353 15.999 > 63 64 O 0.66002266422909 0.59899170326308 0.90641124333353 15.999 > 63 65 O 0.04914990418912 0.58128008976993 0.72112739323250 15.999 > 65 66 O 0.54914990418912 0.58128008976993 0.72112739323250 15.999 > 65 67 O 0.20085009581088 0.58128008976993 0.22112739323250 15.999 > 67 68 O 0.70085009581088 0.58128008976993 0.22112739323250 15.999 > 67 69 O 0.03328855489189 0.52229440510282 0.00203366285740 15.999 > 69 70 O 0.53328855489189 0.52229440510282 0.00203366285740 15.999 > 69 71 O 0.21671144510811 0.52229440510282 0.50203366285740 15.999 > 71 72 O 0.71671144510811 0.52229440510282 0.50203366285740 15.999 > 71 73 O 0.46671144510811 0.47770559489718 0.50203366285740 15.999 > 73 74 O 0.96671144510811 0.47770559489718 0.50203366285740 15.999 > 73 75 O 0.28328855489189 0.47770559489718 0.00203366285740 15.999 > 75 76 O 0.78328855489189 0.47770559489718 0.00203366285740 15.999 > 75 77 O 0.45085009581088 0.41871991023006 0.22112739323250 15.999 > 77 78 O 0.95085009581088 0.41871991023006 0.22112739323250 15.999 > 77 79 O 0.29914990418912 0.41871991023006 0.72112739323250 15.999 > 79 80 O 0.79914990418912 0.41871991023006 0.72112739323250 15.999 > 79 81 O 0.41002266422909 0.40100829673692 0.90641124333353 15.999 > 81 82 O 0.91002266422909 0.40100829673692 0.90641124333353 15.999 > 81 83 O 0.33997733577091 0.40100829673692 0.40641124333353 15.999 > 83 84 O 0.83997733577091 0.40100829673692 0.40641124333353 15.999 > 83 85 O 0.15752042719358 0.32401100552128 0.64472735472093 15.999 > 85 86 O 0.65752042719358 0.32401100552128 0.64472735472093 15.999 > 85 87 O 0.09247957280642 0.32401100552128 0.14472735472093 15.999 > 87 88 O 0.59247957280642 0.32401100552128 0.14472735472093 15.999 > 87 89 O 0.19588607314789 0.32650175805483 0.34886823692793 15.999 > 89 90 O 0.69588607314789 0.32650175805483 0.34886823692793 15.999 > 89 91 O 0.05411392685211 0.32650175805483 0.84886823692793 15.999 > 91 92 O 0.55411392685211 0.32650175805483 0.84886823692793 15.999 > 91 93 O 0.45682367680556 0.27618598817384 0.43269605966542 15.999 > 93 94 O 0.95682367680556 0.27618598817384 0.43269605966542 15.999 > 93 95 O 0.29317632319444 0.27618598817384 0.93269605966542 15.999 > 95 96 O 0.79317632319444 0.27618598817384 0.93269605966542 15.999 > 95 97 O 0.45533417976971 0.22020928487341 0.06270419487159 15.999 > 97 98 O 0.95533417976971 0.22020928487341 0.06270419487159 15.999 > 97 99 O 0.29466582023029 0.22020928487341 0.56270419487159 15.999 > 99 100 O 0.79466582023029 0.22020928487341 0.56270419487159 15.999 > 99 101 O 0.05299354566155 0.17195046301947 0.65865290888644 15.999 > 101 102 O 0.55299354566155 0.17195046301947 0.65865290888644 15.999 > 101 103 O 0.19700645433845 0.17195046301947 0.15865290888644 15.999 > 103 104 O 0.69700645433845 0.17195046301947 0.15865290888644 15.999 > 103 105 O 0.09302151043131 0.17623075327180 0.35415517595295 15.999 > 105 106 O 0.59302151043131 0.17623075327180 0.35415517595295 15.999 > 105 107 O 0.15697848956869 0.17623075327180 0.85415517595295 15.999 > 107 108 O 0.65697848956869 0.17623075327180 0.85415517595295 15.999 > 107 109 O 0.41289482900410 0.09562685808799 0.60604222315624 15.999 > 109 110 O 0.91289482900410 0.09562685808799 0.60604222315624 15.999 > 109 111 O 0.33710517099590 0.09562685808799 0.10604222315624 15.999 > 111 112 O 0.83710517099590 0.09562685808799 0.10604222315624 15.999 > 111 113 O 0.45479293928792 0.07102085465816 0.27350882452079 15.999 > 113 114 O 0.95479293928792 0.07102085465816 0.27350882452079 15.999 > 113 115 O 0.29520706071208 0.07102085465816 0.77350882452079 15.999 > 115 116 O 0.79520706071208 0.07102085465816 0.77350882452079 15.999 > 115 117 O 0.46109320462138 0.02014677091224 0.98963483307098 15.999 > 117 118 O 0.96109320462138 0.02014677091224 0.98963483307098 15.999 > 117 119 O 0.28890679537862 0.02014677091224 0.48963483307098 15.999 > 119 120 O 0.78890679537862 0.02014677091224 0.48963483307098 15.999 > 119 121 O 0.03890679537862 0.97985322908776 0.48963483307098 15.999 > 121 122 O 0.53890679537862 0.97985322908776 0.48963483307098 15.999 > 121 123 O 0.21109320462138 0.97985322908776 0.98963483307098 15.999 > 123 124 O 0.71109320462138 0.97985322908776 0.98963483307098 15.999 > 123 125 O 0.04520706071208 0.92897914534184 0.77350882452079 15.999 > 125 126 O 0.54520706071208 0.92897914534184 0.77350882452079 15.999 > 125 127 O 0.20479293928792 0.92897914534184 0.27350882452079 15.999 > 127 128 O 0.70479293928792 0.92897914534184 0.27350882452079 15.999 > 127 129 O 0.08710517099590 0.90437314191202 0.10604222315624 15.999 > 129 130 O 0.58710517099590 0.90437314191202 0.10604222315624 15.999 > 129 131 O 0.16289482900410 0.90437314191202 0.60604222315624 15.999 > 131 132 O 0.66289482900410 0.90437314191202 0.60604222315624 15.999 > 131 133 O 0.40697848956869 0.82376924672820 0.85415517595295 15.999 > 133 134 O 0.90697848956869 0.82376924672820 0.85415517595295 15.999 > 133 135 O 0.34302151043131 0.82376924672820 0.35415517595295 15.999 > 135 136 O 0.84302151043131 0.82376924672820 0.35415517595295 15.999 > 135 137 O 0.44700645433845 0.82804953698053 0.15865290888644 15.999 > 137 138 O 0.94700645433845 0.82804953698053 0.15865290888644 15.999 > 137 139 O 0.30299354566155 0.82804953698053 0.65865290888644 15.999 > 139 140 O 0.80299354566155 0.82804953698053 0.65865290888644 15.999 > 139 141 O 0.04466582023029 0.77979071512659 0.56270419487159 15.999 > 141 142 O 0.54466582023029 0.77979071512659 0.56270419487159 15.999 > 141 143 O 0.20533417976971 0.77979071512659 0.06270419487159 15.999 > 143 144 O 0.70533417976971 0.77979071512659 0.06270419487159 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0019378 0.0000000 0.0000000 0.0000000 3.9073173 0.0000000 0.0000000 0.0000000 3.9870739 -------------------------- Born effective charges -------------------------- 1 Li 0.9490012 0.0113006 0.0206605 -0.0787550 1.1469343 -0.2015372 -0.0299786 -0.1254003 1.1804337 2 Li 0.9490012 -0.0113006 -0.0206605 0.0787550 1.1469343 -0.2015372 0.0299786 -0.1254003 1.1804337 3 Li 0.9490012 0.0113006 -0.0206605 -0.0787550 1.1469343 0.2015372 0.0299786 0.1254003 1.1804337 4 Li 0.9490012 -0.0113006 0.0206605 0.0787550 1.1469343 0.2015372 -0.0299786 0.1254003 1.1804337 5 Ti 6.3030856 -0.1045799 -0.0013024 0.1247281 6.1072657 0.1673438 0.4748104 0.3694603 6.4167977 6 Ti 6.3030856 0.1045799 0.0013024 -0.1247281 6.1072657 0.1673438 -0.4748104 0.3694603 6.4167977 7 Ti 6.3030856 0.1045799 -0.0013024 -0.1247281 6.1072657 -0.1673438 0.4748104 -0.3694603 6.4167977 8 Ti 6.3030856 -0.1045799 0.0013024 0.1247281 6.1072657 -0.1673438 -0.4748104 -0.3694603 6.4167977 9 Ti 5.8582853 -0.0619724 0.0095952 -0.1851944 5.8645829 -0.2146563 0.2285218 -0.3667947 5.9283484 10 Ti 5.8582853 0.0619724 -0.0095952 0.1851944 5.8645829 -0.2146563 -0.2285218 -0.3667947 5.9283484 11 Ti 5.8582853 -0.0619724 -0.0095952 -0.1851944 5.8645829 0.2146563 -0.2285218 0.3667947 5.9283484 12 Ti 5.8582853 0.0619724 0.0095952 0.1851944 5.8645829 0.2146563 0.2285218 0.3667947 5.9283484 13 P 5.4875363 -0.2568951 0.0400767 -0.0906760 3.7644257 0.0643822 -0.0250785 -0.7492661 5.3540206 14 P 5.4875363 0.2568951 -0.0400767 0.0906760 3.7644257 0.0643822 0.0250785 -0.7492661 5.3540206 15 P 5.2075438 0.4095387 -0.2384871 -0.4686267 5.3942329 -1.2273280 -1.0674481 0.0956473 4.8547743 16 P 5.2075438 -0.4095387 0.2384871 0.4686267 5.3942329 -1.2273280 1.0674481 0.0956473 4.8547743 17 P 5.2075438 -0.4095387 -0.2384871 0.4686267 5.3942329 1.2273280 -1.0674481 -0.0956473 4.8547743 18 P 5.2075438 0.4095387 0.2384871 -0.4686267 5.3942329 1.2273280 1.0674481 -0.0956473 4.8547743 19 P 5.4875363 -0.2568951 -0.0400767 -0.0906760 3.7644257 -0.0643822 0.0250785 0.7492661 5.3540206 20 P 5.4875363 0.2568951 0.0400767 0.0906760 3.7644257 -0.0643822 -0.0250785 0.7492661 5.3540206 21 P 4.5719798 0.1341602 0.1230266 -0.3750693 4.7019211 1.2067974 0.8175707 -0.1405156 4.1844996 22 P 4.5719798 -0.1341602 -0.1230266 0.3750693 4.7019211 1.2067974 -0.8175707 -0.1405156 4.1844996 23 P 4.5719798 0.1341602 -0.1230266 -0.3750693 4.7019211 -1.2067974 -0.8175707 0.1405156 4.1844996 24 P 4.5719798 -0.1341602 0.1230266 0.3750693 4.7019211 -1.2067974 0.8175707 0.1405156 4.1844996 25 O -1.7468503 -1.4764190 -0.2257060 -1.2587323 -4.0239810 -0.4770064 -0.1589202 -0.6752445 -1.1793243 26 O -1.7468503 1.4764190 0.2257060 1.2587323 -4.0239810 -0.4770064 0.1589202 -0.6752445 -1.1793243 27 O -2.4627815 -0.9701239 1.5893701 -0.7258678 -1.5564503 0.8698936 1.5303337 1.2257038 -3.2517943 28 O -2.4627815 0.9701239 -1.5893701 0.7258678 -1.5564503 0.8698936 -1.5303337 1.2257038 -3.2517943 29 O -2.8461452 0.9240379 1.2081910 0.7850220 -1.4738503 -0.6466490 1.3673235 -0.7731449 -2.2393812 30 O -2.8461452 -0.9240379 -1.2081910 -0.7850220 -1.4738503 -0.6466490 -1.3673235 -0.7731449 -2.2393812 31 O -4.3303909 0.2179840 1.3872980 0.3791878 -1.2168076 -0.0489869 1.3479553 -0.1399917 -1.7136674 32 O -4.3303909 -0.2179840 -1.3872980 -0.3791878 -1.2168076 -0.0489869 -1.3479553 -0.1399917 -1.7136674 33 O -1.5545602 0.1956653 -1.0948709 0.0948486 -1.2988295 0.4875417 -1.3500376 0.3145878 -4.2211670 34 O -1.5545602 -0.1956653 1.0948709 -0.0948486 -1.2988295 0.4875417 1.3500376 0.3145878 -4.2211670 35 O -1.6441727 -1.0204321 0.4516169 -1.3211168 -4.1388385 1.3409823 0.3609822 1.0312744 -1.6037270 36 O -1.6441727 1.0204321 -0.4516169 1.3211168 -4.1388385 1.3409823 -0.3609822 1.0312744 -1.6037270 37 O -1.6441727 -1.0204321 -0.4516169 -1.3211168 -4.1388385 -1.3409823 -0.3609822 -1.0312744 -1.6037270 38 O -1.6441727 1.0204321 0.4516169 1.3211168 -4.1388385 -1.3409823 0.3609822 -1.0312744 -1.6037270 39 O -1.5545602 0.1956653 1.0948709 0.0948486 -1.2988295 -0.4875417 1.3500376 -0.3145878 -4.2211670 40 O -1.5545602 -0.1956653 -1.0948709 -0.0948486 -1.2988295 -0.4875417 -1.3500376 -0.3145878 -4.2211670 41 O -4.3303909 0.2179840 -1.3872980 0.3791878 -1.2168076 0.0489869 -1.3479553 0.1399917 -1.7136674 42 O -4.3303909 -0.2179840 1.3872980 -0.3791878 -1.2168076 0.0489869 1.3479553 0.1399917 -1.7136674 43 O -2.8461452 -0.9240379 1.2081910 -0.7850220 -1.4738503 0.6466490 1.3673235 0.7731449 -2.2393812 44 O -2.8461452 0.9240379 -1.2081910 0.7850220 -1.4738503 0.6466490 -1.3673235 0.7731449 -2.2393812 45 O -2.4627815 -0.9701239 -1.5893701 -0.7258678 -1.5564503 -0.8698936 -1.5303337 -1.2257038 -3.2517943 46 O -2.4627815 0.9701239 1.5893701 0.7258678 -1.5564503 -0.8698936 1.5303337 -1.2257038 -3.2517943 47 O -1.7468503 1.4764190 -0.2257060 1.2587323 -4.0239810 0.4770064 -0.1589202 0.6752445 -1.1793243 48 O -1.7468503 -1.4764190 0.2257060 -1.2587323 -4.0239810 0.4770064 0.1589202 0.6752445 -1.1793243 49 O -1.5217467 -0.9672734 0.1681684 -0.9846350 -3.6900981 0.3559653 0.0767296 0.4323753 -1.1847702 50 O -1.5217467 0.9672734 -0.1681684 0.9846350 -3.6900981 0.3559653 -0.0767296 0.4323753 -1.1847702 51 O -2.3030808 -0.8378569 -1.2918039 -0.6505309 -1.5652906 -0.5719038 -1.4108667 -1.0551280 -3.3043383 52 O -2.3030808 0.8378569 1.2918039 0.6505309 -1.5652906 -0.5719038 1.4108667 -1.0551280 -3.3043383 53 O -3.2085787 -1.0584330 1.4268373 -0.8465771 -1.5009714 0.6691375 1.4409723 0.6960180 -2.2481829 54 O -3.2085787 1.0584330 -1.4268373 0.8465771 -1.5009714 0.6691375 -1.4409723 0.6960180 -2.2481829 55 O -3.6908540 -0.1751223 0.8157996 -0.4054227 -1.2475835 0.1707505 0.8492203 0.2063724 -1.6924708 56 O -3.6908540 0.1751223 -0.8157996 0.4054227 -1.2475835 0.1707505 -0.8492203 0.2063724 -1.6924708 57 O -1.5907890 -0.1488949 -1.1314575 -0.0830355 -1.5448665 -0.6151968 -1.0689737 -0.2446788 -3.4602183 58 O -1.5907890 0.1488949 1.1314575 0.0830355 -1.5448665 -0.6151968 1.0689737 -0.2446788 -3.4602183 59 O -1.4774820 0.7618480 0.3765523 1.0784669 -3.7217954 -1.1187746 0.3485927 -0.7989639 -1.8198328 60 O -1.4774820 -0.7618480 -0.3765523 -1.0784669 -3.7217954 -1.1187746 -0.3485927 -0.7989639 -1.8198328 61 O -1.4774820 0.7618480 -0.3765523 1.0784669 -3.7217954 1.1187746 -0.3485927 0.7989639 -1.8198328 62 O -1.4774820 -0.7618480 0.3765523 -1.0784669 -3.7217954 1.1187746 0.3485927 0.7989639 -1.8198328 63 O -1.5907890 -0.1488949 1.1314575 -0.0830355 -1.5448665 0.6151968 1.0689737 0.2446788 -3.4602183 64 O -1.5907890 0.1488949 -1.1314575 0.0830355 -1.5448665 0.6151968 -1.0689737 0.2446788 -3.4602183 65 O -3.6908540 -0.1751223 -0.8157996 -0.4054227 -1.2475835 -0.1707505 -0.8492203 -0.2063724 -1.6924708 66 O -3.6908540 0.1751223 0.8157996 0.4054227 -1.2475835 -0.1707505 0.8492203 -0.2063724 -1.6924708 67 O -3.2085787 -1.0584330 -1.4268373 -0.8465771 -1.5009714 -0.6691375 -1.4409723 -0.6960180 -2.2481829 68 O -3.2085787 1.0584330 1.4268373 0.8465771 -1.5009714 -0.6691375 1.4409723 -0.6960180 -2.2481829 69 O -2.3030808 -0.8378569 1.2918039 -0.6505309 -1.5652906 0.5719038 1.4108667 1.0551280 -3.3043383 70 O -2.3030808 0.8378569 -1.2918039 0.6505309 -1.5652906 0.5719038 -1.4108667 1.0551280 -3.3043383 71 O -1.5217467 -0.9672734 -0.1681684 -0.9846350 -3.6900981 -0.3559653 -0.0767296 -0.4323753 -1.1847702 72 O -1.5217467 0.9672734 0.1681684 0.9846350 -3.6900981 -0.3559653 0.0767296 -0.4323753 -1.1847702 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 03:05:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:05:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.589212549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): 1 Li 0.96876730240590 0.07169718226474 0.78252905797662 6.941 2 Li 0.53123269759410 0.07169718226474 0.28252905797662 6.941 3 Li 0.03123269759410 0.92830281773526 0.28252905797662 6.941 4 Li 0.46876730240590 0.92830281773526 0.78252905797662 6.941 5 Ti 0.00126334678074 0.62756234441551 0.53213857038909 47.867 6 Ti 0.49873665321926 0.62756234441551 0.03213857038909 47.867 7 Ti 0.50126334678074 0.37243765558449 0.53213857038909 47.867 8 Ti 0.99873665321926 0.37243765558449 0.03213857038909 47.867 9 Ti 0.00482526189011 0.13891460095923 0.46235116177752 47.867 10 Ti 0.49517473810989 0.13891460095923 0.96235116177752 47.867 11 Ti 0.99517473810989 0.86108539904077 0.96235116177752 47.867 12 Ti 0.50482526189011 0.86108539904077 0.46235116177752 47.867 13 P 0.78641424386517 0.74643268366194 0.24982798441002 30.974 14 P 0.71358575613483 0.74643268366194 0.74982798441002 30.974 15 P 0.35629913115010 0.60402876943328 0.38937056346079 30.974 16 P 0.14370086884990 0.60402876943328 0.88937056346079 30.974 17 P 0.85629913115010 0.39597123056672 0.38937056346079 30.974 18 P 0.64370086884990 0.39597123056672 0.88937056346079 30.974 19 P 0.21358575613483 0.25356731633807 0.74982798441002 30.974 20 P 0.28641424386517 0.25356731633807 0.24982798441002 30.974 21 P 0.85388593121240 0.10473603309149 0.10801956078927 30.974 22 P 0.64611406878760 0.10473603309149 0.60801956078927 30.974 23 P 0.14611406878760 0.89526396690851 0.60801956078927 30.974 24 P 0.35388593121240 0.89526396690851 0.10801956078927 30.974 25 O 0.41364735361113 0.72381401182616 0.43269605966542 15.999 26 O 0.08635264638887 0.72381401182616 0.93269605966542 15.999 27 O 0.60822785370422 0.67349824194517 0.84886823692793 15.999 28 O 0.89177214629578 0.67349824194517 0.34886823692793 15.999 29 O 0.81504085438715 0.67598899447872 0.64472735472093 15.999 30 O 0.68495914561285 0.67598899447872 0.14472735472093 15.999 31 O 0.17995467154182 0.59899170326308 0.40641124333353 15.999 32 O 0.32004532845818 0.59899170326308 0.90641124333353 15.999 33 O 0.09829980837824 0.58128008976993 0.72112739323250 15.999 34 O 0.40170019162176 0.58128008976993 0.22112739323250 15.999 35 O 0.06657710978377 0.52229440510282 0.00203366285740 15.999 36 O 0.43342289021623 0.52229440510282 0.50203366285740 15.999 37 O 0.93342289021623 0.47770559489718 0.50203366285740 15.999 38 O 0.56657710978377 0.47770559489718 0.00203366285740 15.999 39 O 0.90170019162176 0.41871991023006 0.22112739323250 15.999 40 O 0.59829980837824 0.41871991023006 0.72112739323250 15.999 41 O 0.82004532845818 0.40100829673692 0.90641124333353 15.999 42 O 0.67995467154182 0.40100829673692 0.40641124333353 15.999 43 O 0.31504085438715 0.32401100552128 0.64472735472093 15.999 44 O 0.18495914561285 0.32401100552128 0.14472735472093 15.999 45 O 0.39177214629578 0.32650175805483 0.34886823692793 15.999 46 O 0.10822785370422 0.32650175805483 0.84886823692793 15.999 47 O 0.91364735361113 0.27618598817384 0.43269605966542 15.999 48 O 0.58635264638887 0.27618598817384 0.93269605966542 15.999 49 O 0.91066835953943 0.22020928487341 0.06270419487159 15.999 50 O 0.58933164046057 0.22020928487341 0.56270419487159 15.999 51 O 0.10598709132311 0.17195046301947 0.65865290888644 15.999 52 O 0.39401290867689 0.17195046301947 0.15865290888644 15.999 53 O 0.18604302086263 0.17623075327180 0.35415517595295 15.999 54 O 0.31395697913737 0.17623075327180 0.85415517595295 15.999 55 O 0.82578965800820 0.09562685808799 0.60604222315624 15.999 56 O 0.67421034199180 0.09562685808799 0.10604222315624 15.999 57 O 0.90958587857584 0.07102085465816 0.27350882452079 15.999 58 O 0.59041412142416 0.07102085465816 0.77350882452079 15.999 59 O 0.92218640924277 0.02014677091224 0.98963483307098 15.999 60 O 0.57781359075723 0.02014677091224 0.48963483307098 15.999 61 O 0.07781359075723 0.97985322908776 0.48963483307098 15.999 62 O 0.42218640924277 0.97985322908776 0.98963483307098 15.999 63 O 0.09041412142416 0.92897914534184 0.77350882452079 15.999 64 O 0.40958587857584 0.92897914534184 0.27350882452079 15.999 65 O 0.17421034199180 0.90437314191202 0.10604222315624 15.999 66 O 0.32578965800820 0.90437314191202 0.60604222315624 15.999 67 O 0.81395697913737 0.82376924672820 0.85415517595295 15.999 68 O 0.68604302086263 0.82376924672820 0.35415517595295 15.999 69 O 0.89401290867689 0.82804953698053 0.15865290888644 15.999 70 O 0.60598709132311 0.82804953698053 0.65865290888644 15.999 71 O 0.08933164046057 0.77979071512659 0.56270419487159 15.999 72 O 0.41066835953943 0.77979071512659 0.06270419487159 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.178425099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961392569999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.622971850000001 Atomic positions (fractional): 1 Li 0.48438365120295 0.07169718226474 0.78252905797662 6.941 > 1 2 Li 0.98438365120295 0.07169718226474 0.78252905797662 6.941 > 1 3 Li 0.26561634879705 0.07169718226474 0.28252905797662 6.941 > 3 4 Li 0.76561634879705 0.07169718226474 0.28252905797662 6.941 > 3 5 Li 0.01561634879705 0.92830281773526 0.28252905797662 6.941 > 5 6 Li 0.51561634879705 0.92830281773526 0.28252905797662 6.941 > 5 7 Li 0.23438365120295 0.92830281773526 0.78252905797662 6.941 > 7 8 Li 0.73438365120295 0.92830281773526 0.78252905797662 6.941 > 7 9 Ti 0.00063167339037 0.62756234441551 0.53213857038909 47.867 > 9 10 Ti 0.50063167339037 0.62756234441551 0.53213857038909 47.867 > 9 11 Ti 0.24936832660963 0.62756234441551 0.03213857038909 47.867 > 11 12 Ti 0.74936832660963 0.62756234441551 0.03213857038909 47.867 > 11 13 Ti 0.25063167339037 0.37243765558449 0.53213857038909 47.867 > 13 14 Ti 0.75063167339037 0.37243765558449 0.53213857038909 47.867 > 13 15 Ti 0.49936832660963 0.37243765558449 0.03213857038909 47.867 > 15 16 Ti 0.99936832660963 0.37243765558449 0.03213857038909 47.867 > 15 17 Ti 0.00241263094505 0.13891460095923 0.46235116177752 47.867 > 17 18 Ti 0.50241263094505 0.13891460095923 0.46235116177752 47.867 > 17 19 Ti 0.24758736905495 0.13891460095923 0.96235116177752 47.867 > 19 20 Ti 0.74758736905495 0.13891460095923 0.96235116177752 47.867 > 19 21 Ti 0.49758736905495 0.86108539904077 0.96235116177752 47.867 > 21 22 Ti 0.99758736905495 0.86108539904077 0.96235116177752 47.867 > 21 23 Ti 0.25241263094505 0.86108539904077 0.46235116177752 47.867 > 23 24 Ti 0.75241263094505 0.86108539904077 0.46235116177752 47.867 > 23 25 P 0.39320712193259 0.74643268366194 0.24982798441002 30.974 > 25 26 P 0.89320712193259 0.74643268366194 0.24982798441002 30.974 > 25 27 P 0.35679287806741 0.74643268366194 0.74982798441002 30.974 > 27 28 P 0.85679287806741 0.74643268366194 0.74982798441002 30.974 > 27 29 P 0.17814956557505 0.60402876943328 0.38937056346079 30.974 > 29 30 P 0.67814956557505 0.60402876943328 0.38937056346079 30.974 > 29 31 P 0.07185043442495 0.60402876943328 0.88937056346079 30.974 > 31 32 P 0.57185043442495 0.60402876943328 0.88937056346079 30.974 > 31 33 P 0.42814956557505 0.39597123056672 0.38937056346079 30.974 > 33 34 P 0.92814956557505 0.39597123056672 0.38937056346079 30.974 > 33 35 P 0.32185043442495 0.39597123056672 0.88937056346079 30.974 > 35 36 P 0.82185043442495 0.39597123056672 0.88937056346079 30.974 > 35 37 P 0.10679287806741 0.25356731633807 0.74982798441002 30.974 > 37 38 P 0.60679287806741 0.25356731633807 0.74982798441002 30.974 > 37 39 P 0.14320712193259 0.25356731633807 0.24982798441002 30.974 > 39 40 P 0.64320712193259 0.25356731633807 0.24982798441002 30.974 > 39 41 P 0.42694296560620 0.10473603309149 0.10801956078927 30.974 > 41 42 P 0.92694296560620 0.10473603309149 0.10801956078927 30.974 > 41 43 P 0.32305703439380 0.10473603309149 0.60801956078927 30.974 > 43 44 P 0.82305703439380 0.10473603309149 0.60801956078927 30.974 > 43 45 P 0.07305703439380 0.89526396690851 0.60801956078927 30.974 > 45 46 P 0.57305703439380 0.89526396690851 0.60801956078927 30.974 > 45 47 P 0.17694296560620 0.89526396690851 0.10801956078927 30.974 > 47 48 P 0.67694296560620 0.89526396690851 0.10801956078927 30.974 > 47 49 O 0.20682367680556 0.72381401182616 0.43269605966542 15.999 > 49 50 O 0.70682367680556 0.72381401182616 0.43269605966542 15.999 > 49 51 O 0.04317632319444 0.72381401182616 0.93269605966542 15.999 > 51 52 O 0.54317632319444 0.72381401182616 0.93269605966542 15.999 > 51 53 O 0.30411392685211 0.67349824194517 0.84886823692793 15.999 > 53 54 O 0.80411392685211 0.67349824194517 0.84886823692793 15.999 > 53 55 O 0.44588607314789 0.67349824194517 0.34886823692793 15.999 > 55 56 O 0.94588607314789 0.67349824194517 0.34886823692793 15.999 > 55 57 O 0.40752042719358 0.67598899447872 0.64472735472093 15.999 > 57 58 O 0.90752042719358 0.67598899447872 0.64472735472093 15.999 > 57 59 O 0.34247957280642 0.67598899447872 0.14472735472093 15.999 > 59 60 O 0.84247957280642 0.67598899447872 0.14472735472093 15.999 > 59 61 O 0.08997733577091 0.59899170326308 0.40641124333353 15.999 > 61 62 O 0.58997733577091 0.59899170326308 0.40641124333353 15.999 > 61 63 O 0.16002266422909 0.59899170326308 0.90641124333353 15.999 > 63 64 O 0.66002266422909 0.59899170326308 0.90641124333353 15.999 > 63 65 O 0.04914990418912 0.58128008976993 0.72112739323250 15.999 > 65 66 O 0.54914990418912 0.58128008976993 0.72112739323250 15.999 > 65 67 O 0.20085009581088 0.58128008976993 0.22112739323250 15.999 > 67 68 O 0.70085009581088 0.58128008976993 0.22112739323250 15.999 > 67 69 O 0.03328855489189 0.52229440510282 0.00203366285740 15.999 > 69 70 O 0.53328855489189 0.52229440510282 0.00203366285740 15.999 > 69 71 O 0.21671144510811 0.52229440510282 0.50203366285740 15.999 > 71 72 O 0.71671144510811 0.52229440510282 0.50203366285740 15.999 > 71 73 O 0.46671144510811 0.47770559489718 0.50203366285740 15.999 > 73 74 O 0.96671144510811 0.47770559489718 0.50203366285740 15.999 > 73 75 O 0.28328855489189 0.47770559489718 0.00203366285740 15.999 > 75 76 O 0.78328855489189 0.47770559489718 0.00203366285740 15.999 > 75 77 O 0.45085009581088 0.41871991023006 0.22112739323250 15.999 > 77 78 O 0.95085009581088 0.41871991023006 0.22112739323250 15.999 > 77 79 O 0.29914990418912 0.41871991023006 0.72112739323250 15.999 > 79 80 O 0.79914990418912 0.41871991023006 0.72112739323250 15.999 > 79 81 O 0.41002266422909 0.40100829673692 0.90641124333353 15.999 > 81 82 O 0.91002266422909 0.40100829673692 0.90641124333353 15.999 > 81 83 O 0.33997733577091 0.40100829673692 0.40641124333353 15.999 > 83 84 O 0.83997733577091 0.40100829673692 0.40641124333353 15.999 > 83 85 O 0.15752042719358 0.32401100552128 0.64472735472093 15.999 > 85 86 O 0.65752042719358 0.32401100552128 0.64472735472093 15.999 > 85 87 O 0.09247957280642 0.32401100552128 0.14472735472093 15.999 > 87 88 O 0.59247957280642 0.32401100552128 0.14472735472093 15.999 > 87 89 O 0.19588607314789 0.32650175805483 0.34886823692793 15.999 > 89 90 O 0.69588607314789 0.32650175805483 0.34886823692793 15.999 > 89 91 O 0.05411392685211 0.32650175805483 0.84886823692793 15.999 > 91 92 O 0.55411392685211 0.32650175805483 0.84886823692793 15.999 > 91 93 O 0.45682367680556 0.27618598817384 0.43269605966542 15.999 > 93 94 O 0.95682367680556 0.27618598817384 0.43269605966542 15.999 > 93 95 O 0.29317632319444 0.27618598817384 0.93269605966542 15.999 > 95 96 O 0.79317632319444 0.27618598817384 0.93269605966542 15.999 > 95 97 O 0.45533417976971 0.22020928487341 0.06270419487159 15.999 > 97 98 O 0.95533417976971 0.22020928487341 0.06270419487159 15.999 > 97 99 O 0.29466582023029 0.22020928487341 0.56270419487159 15.999 > 99 100 O 0.79466582023029 0.22020928487341 0.56270419487159 15.999 > 99 101 O 0.05299354566155 0.17195046301947 0.65865290888644 15.999 > 101 102 O 0.55299354566155 0.17195046301947 0.65865290888644 15.999 > 101 103 O 0.19700645433845 0.17195046301947 0.15865290888644 15.999 > 103 104 O 0.69700645433845 0.17195046301947 0.15865290888644 15.999 > 103 105 O 0.09302151043131 0.17623075327180 0.35415517595295 15.999 > 105 106 O 0.59302151043131 0.17623075327180 0.35415517595295 15.999 > 105 107 O 0.15697848956869 0.17623075327180 0.85415517595295 15.999 > 107 108 O 0.65697848956869 0.17623075327180 0.85415517595295 15.999 > 107 109 O 0.41289482900410 0.09562685808799 0.60604222315624 15.999 > 109 110 O 0.91289482900410 0.09562685808799 0.60604222315624 15.999 > 109 111 O 0.33710517099590 0.09562685808799 0.10604222315624 15.999 > 111 112 O 0.83710517099590 0.09562685808799 0.10604222315624 15.999 > 111 113 O 0.45479293928792 0.07102085465816 0.27350882452079 15.999 > 113 114 O 0.95479293928792 0.07102085465816 0.27350882452079 15.999 > 113 115 O 0.29520706071208 0.07102085465816 0.77350882452079 15.999 > 115 116 O 0.79520706071208 0.07102085465816 0.77350882452079 15.999 > 115 117 O 0.46109320462138 0.02014677091224 0.98963483307098 15.999 > 117 118 O 0.96109320462138 0.02014677091224 0.98963483307098 15.999 > 117 119 O 0.28890679537862 0.02014677091224 0.48963483307098 15.999 > 119 120 O 0.78890679537862 0.02014677091224 0.48963483307098 15.999 > 119 121 O 0.03890679537862 0.97985322908776 0.48963483307098 15.999 > 121 122 O 0.53890679537862 0.97985322908776 0.48963483307098 15.999 > 121 123 O 0.21109320462138 0.97985322908776 0.98963483307098 15.999 > 123 124 O 0.71109320462138 0.97985322908776 0.98963483307098 15.999 > 123 125 O 0.04520706071208 0.92897914534184 0.77350882452079 15.999 > 125 126 O 0.54520706071208 0.92897914534184 0.77350882452079 15.999 > 125 127 O 0.20479293928792 0.92897914534184 0.27350882452079 15.999 > 127 128 O 0.70479293928792 0.92897914534184 0.27350882452079 15.999 > 127 129 O 0.08710517099590 0.90437314191202 0.10604222315624 15.999 > 129 130 O 0.58710517099590 0.90437314191202 0.10604222315624 15.999 > 129 131 O 0.16289482900410 0.90437314191202 0.60604222315624 15.999 > 131 132 O 0.66289482900410 0.90437314191202 0.60604222315624 15.999 > 131 133 O 0.40697848956869 0.82376924672820 0.85415517595295 15.999 > 133 134 O 0.90697848956869 0.82376924672820 0.85415517595295 15.999 > 133 135 O 0.34302151043131 0.82376924672820 0.35415517595295 15.999 > 135 136 O 0.84302151043131 0.82376924672820 0.35415517595295 15.999 > 135 137 O 0.44700645433845 0.82804953698053 0.15865290888644 15.999 > 137 138 O 0.94700645433845 0.82804953698053 0.15865290888644 15.999 > 137 139 O 0.30299354566155 0.82804953698053 0.65865290888644 15.999 > 139 140 O 0.80299354566155 0.82804953698053 0.65865290888644 15.999 > 139 141 O 0.04466582023029 0.77979071512659 0.56270419487159 15.999 > 141 142 O 0.54466582023029 0.77979071512659 0.56270419487159 15.999 > 141 143 O 0.20533417976971 0.77979071512659 0.06270419487159 15.999 > 143 144 O 0.70533417976971 0.77979071512659 0.06270419487159 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0019378 0.0000000 0.0000000 0.0000000 3.9073173 0.0000000 0.0000000 0.0000000 3.9870739 -------------------------- Born effective charges -------------------------- 1 Li 0.9490012 0.0113006 0.0206605 -0.0787550 1.1469343 -0.2015372 -0.0299786 -0.1254003 1.1804337 2 Li 0.9490012 -0.0113006 -0.0206605 0.0787550 1.1469343 -0.2015372 0.0299786 -0.1254003 1.1804337 3 Li 0.9490012 0.0113006 -0.0206605 -0.0787550 1.1469343 0.2015372 0.0299786 0.1254003 1.1804337 4 Li 0.9490012 -0.0113006 0.0206605 0.0787550 1.1469343 0.2015372 -0.0299786 0.1254003 1.1804337 5 Ti 6.3030856 -0.1045799 -0.0013024 0.1247281 6.1072657 0.1673438 0.4748104 0.3694603 6.4167977 6 Ti 6.3030856 0.1045799 0.0013024 -0.1247281 6.1072657 0.1673438 -0.4748104 0.3694603 6.4167977 7 Ti 6.3030856 0.1045799 -0.0013024 -0.1247281 6.1072657 -0.1673438 0.4748104 -0.3694603 6.4167977 8 Ti 6.3030856 -0.1045799 0.0013024 0.1247281 6.1072657 -0.1673438 -0.4748104 -0.3694603 6.4167977 9 Ti 5.8582853 -0.0619724 0.0095952 -0.1851944 5.8645829 -0.2146563 0.2285218 -0.3667947 5.9283484 10 Ti 5.8582853 0.0619724 -0.0095952 0.1851944 5.8645829 -0.2146563 -0.2285218 -0.3667947 5.9283484 11 Ti 5.8582853 -0.0619724 -0.0095952 -0.1851944 5.8645829 0.2146563 -0.2285218 0.3667947 5.9283484 12 Ti 5.8582853 0.0619724 0.0095952 0.1851944 5.8645829 0.2146563 0.2285218 0.3667947 5.9283484 13 P 5.4875363 -0.2568951 0.0400767 -0.0906760 3.7644257 0.0643822 -0.0250785 -0.7492661 5.3540206 14 P 5.4875363 0.2568951 -0.0400767 0.0906760 3.7644257 0.0643822 0.0250785 -0.7492661 5.3540206 15 P 5.2075438 0.4095387 -0.2384871 -0.4686267 5.3942329 -1.2273280 -1.0674481 0.0956473 4.8547743 16 P 5.2075438 -0.4095387 0.2384871 0.4686267 5.3942329 -1.2273280 1.0674481 0.0956473 4.8547743 17 P 5.2075438 -0.4095387 -0.2384871 0.4686267 5.3942329 1.2273280 -1.0674481 -0.0956473 4.8547743 18 P 5.2075438 0.4095387 0.2384871 -0.4686267 5.3942329 1.2273280 1.0674481 -0.0956473 4.8547743 19 P 5.4875363 -0.2568951 -0.0400767 -0.0906760 3.7644257 -0.0643822 0.0250785 0.7492661 5.3540206 20 P 5.4875363 0.2568951 0.0400767 0.0906760 3.7644257 -0.0643822 -0.0250785 0.7492661 5.3540206 21 P 4.5719798 0.1341602 0.1230266 -0.3750693 4.7019211 1.2067974 0.8175707 -0.1405156 4.1844996 22 P 4.5719798 -0.1341602 -0.1230266 0.3750693 4.7019211 1.2067974 -0.8175707 -0.1405156 4.1844996 23 P 4.5719798 0.1341602 -0.1230266 -0.3750693 4.7019211 -1.2067974 -0.8175707 0.1405156 4.1844996 24 P 4.5719798 -0.1341602 0.1230266 0.3750693 4.7019211 -1.2067974 0.8175707 0.1405156 4.1844996 25 O -1.7468503 -1.4764190 -0.2257060 -1.2587323 -4.0239810 -0.4770064 -0.1589202 -0.6752445 -1.1793243 26 O -1.7468503 1.4764190 0.2257060 1.2587323 -4.0239810 -0.4770064 0.1589202 -0.6752445 -1.1793243 27 O -2.4627815 -0.9701239 1.5893701 -0.7258678 -1.5564503 0.8698936 1.5303337 1.2257038 -3.2517943 28 O -2.4627815 0.9701239 -1.5893701 0.7258678 -1.5564503 0.8698936 -1.5303337 1.2257038 -3.2517943 29 O -2.8461452 0.9240379 1.2081910 0.7850220 -1.4738503 -0.6466490 1.3673235 -0.7731449 -2.2393812 30 O -2.8461452 -0.9240379 -1.2081910 -0.7850220 -1.4738503 -0.6466490 -1.3673235 -0.7731449 -2.2393812 31 O -4.3303909 0.2179840 1.3872980 0.3791878 -1.2168076 -0.0489869 1.3479553 -0.1399917 -1.7136674 32 O -4.3303909 -0.2179840 -1.3872980 -0.3791878 -1.2168076 -0.0489869 -1.3479553 -0.1399917 -1.7136674 33 O -1.5545602 0.1956653 -1.0948709 0.0948486 -1.2988295 0.4875417 -1.3500376 0.3145878 -4.2211670 34 O -1.5545602 -0.1956653 1.0948709 -0.0948486 -1.2988295 0.4875417 1.3500376 0.3145878 -4.2211670 35 O -1.6441727 -1.0204321 0.4516169 -1.3211168 -4.1388385 1.3409823 0.3609822 1.0312744 -1.6037270 36 O -1.6441727 1.0204321 -0.4516169 1.3211168 -4.1388385 1.3409823 -0.3609822 1.0312744 -1.6037270 37 O -1.6441727 -1.0204321 -0.4516169 -1.3211168 -4.1388385 -1.3409823 -0.3609822 -1.0312744 -1.6037270 38 O -1.6441727 1.0204321 0.4516169 1.3211168 -4.1388385 -1.3409823 0.3609822 -1.0312744 -1.6037270 39 O -1.5545602 0.1956653 1.0948709 0.0948486 -1.2988295 -0.4875417 1.3500376 -0.3145878 -4.2211670 40 O -1.5545602 -0.1956653 -1.0948709 -0.0948486 -1.2988295 -0.4875417 -1.3500376 -0.3145878 -4.2211670 41 O -4.3303909 0.2179840 -1.3872980 0.3791878 -1.2168076 0.0489869 -1.3479553 0.1399917 -1.7136674 42 O -4.3303909 -0.2179840 1.3872980 -0.3791878 -1.2168076 0.0489869 1.3479553 0.1399917 -1.7136674 43 O -2.8461452 -0.9240379 1.2081910 -0.7850220 -1.4738503 0.6466490 1.3673235 0.7731449 -2.2393812 44 O -2.8461452 0.9240379 -1.2081910 0.7850220 -1.4738503 0.6466490 -1.3673235 0.7731449 -2.2393812 45 O -2.4627815 -0.9701239 -1.5893701 -0.7258678 -1.5564503 -0.8698936 -1.5303337 -1.2257038 -3.2517943 46 O -2.4627815 0.9701239 1.5893701 0.7258678 -1.5564503 -0.8698936 1.5303337 -1.2257038 -3.2517943 47 O -1.7468503 1.4764190 -0.2257060 1.2587323 -4.0239810 0.4770064 -0.1589202 0.6752445 -1.1793243 48 O -1.7468503 -1.4764190 0.2257060 -1.2587323 -4.0239810 0.4770064 0.1589202 0.6752445 -1.1793243 49 O -1.5217467 -0.9672734 0.1681684 -0.9846350 -3.6900981 0.3559653 0.0767296 0.4323753 -1.1847702 50 O -1.5217467 0.9672734 -0.1681684 0.9846350 -3.6900981 0.3559653 -0.0767296 0.4323753 -1.1847702 51 O -2.3030808 -0.8378569 -1.2918039 -0.6505309 -1.5652906 -0.5719038 -1.4108667 -1.0551280 -3.3043383 52 O -2.3030808 0.8378569 1.2918039 0.6505309 -1.5652906 -0.5719038 1.4108667 -1.0551280 -3.3043383 53 O -3.2085787 -1.0584330 1.4268373 -0.8465771 -1.5009714 0.6691375 1.4409723 0.6960180 -2.2481829 54 O -3.2085787 1.0584330 -1.4268373 0.8465771 -1.5009714 0.6691375 -1.4409723 0.6960180 -2.2481829 55 O -3.6908540 -0.1751223 0.8157996 -0.4054227 -1.2475835 0.1707505 0.8492203 0.2063724 -1.6924708 56 O -3.6908540 0.1751223 -0.8157996 0.4054227 -1.2475835 0.1707505 -0.8492203 0.2063724 -1.6924708 57 O -1.5907890 -0.1488949 -1.1314575 -0.0830355 -1.5448665 -0.6151968 -1.0689737 -0.2446788 -3.4602183 58 O -1.5907890 0.1488949 1.1314575 0.0830355 -1.5448665 -0.6151968 1.0689737 -0.2446788 -3.4602183 59 O -1.4774820 0.7618480 0.3765523 1.0784669 -3.7217954 -1.1187746 0.3485927 -0.7989639 -1.8198328 60 O -1.4774820 -0.7618480 -0.3765523 -1.0784669 -3.7217954 -1.1187746 -0.3485927 -0.7989639 -1.8198328 61 O -1.4774820 0.7618480 -0.3765523 1.0784669 -3.7217954 1.1187746 -0.3485927 0.7989639 -1.8198328 62 O -1.4774820 -0.7618480 0.3765523 -1.0784669 -3.7217954 1.1187746 0.3485927 0.7989639 -1.8198328 63 O -1.5907890 -0.1488949 1.1314575 -0.0830355 -1.5448665 0.6151968 1.0689737 0.2446788 -3.4602183 64 O -1.5907890 0.1488949 -1.1314575 0.0830355 -1.5448665 0.6151968 -1.0689737 0.2446788 -3.4602183 65 O -3.6908540 -0.1751223 -0.8157996 -0.4054227 -1.2475835 -0.1707505 -0.8492203 -0.2063724 -1.6924708 66 O -3.6908540 0.1751223 0.8157996 0.4054227 -1.2475835 -0.1707505 0.8492203 -0.2063724 -1.6924708 67 O -3.2085787 -1.0584330 -1.4268373 -0.8465771 -1.5009714 -0.6691375 -1.4409723 -0.6960180 -2.2481829 68 O -3.2085787 1.0584330 1.4268373 0.8465771 -1.5009714 -0.6691375 1.4409723 -0.6960180 -2.2481829 69 O -2.3030808 -0.8378569 1.2918039 -0.6505309 -1.5652906 0.5719038 1.4108667 1.0551280 -3.3043383 70 O -2.3030808 0.8378569 -1.2918039 0.6505309 -1.5652906 0.5719038 -1.4108667 1.0551280 -3.3043383 71 O -1.5217467 -0.9672734 -0.1681684 -0.9846350 -3.6900981 -0.3559653 -0.0767296 -0.4323753 -1.1847702 72 O -1.5217467 0.9672734 0.1681684 0.9846350 -3.6900981 -0.3559653 0.0767296 -0.4323753 -1.1847702 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 311, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 -0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 -0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 -0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 -0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 -0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.758 ( 0.000 0.000 -0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 -0.000) 0.000 4.123 ( 0.000 0.000 -0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 -0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 -0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 -0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.240 ( 0.000 0.000 -0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 -0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 -0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 -0.000) 0.000 7.997 ( 0.000 0.000 -0.000) 0.000 8.104 ( 0.000 0.000 -0.000) 0.000 8.201 ( 0.000 0.000 -0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 -0.000) 0.000 8.362 ( 0.000 0.000 -0.000) 0.000 8.415 ( 0.000 0.000 -0.000) 0.000 8.436 ( 0.000 0.000 -0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 -0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 -0.000) 0.000 9.352 ( 0.000 0.000 -0.000) 0.000 9.421 ( 0.000 0.000 -0.000) 0.000 9.535 ( 0.000 0.000 -0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 0.000 -0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 9.705 ( 0.000 0.000 0.000) 0.000 9.749 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 -0.000) 0.000 9.926 ( 0.000 0.000 -0.000) 0.000 9.937 ( 0.000 0.000 -0.000) 0.000 9.945 ( 0.000 0.000 -0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 -0.000) 0.000 10.260 ( 0.000 0.000 -0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.921 ( 0.000 0.000 -0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 11.007 ( 0.000 0.000 -0.000) 0.000 11.170 ( 0.000 0.000 -0.000) 0.000 11.257 ( 0.000 0.000 -0.000) 0.000 11.341 ( 0.000 0.000 -0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 -0.000) 0.000 11.978 ( 0.000 0.000 -0.000) 0.000 11.979 ( 0.000 0.000 -0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 -0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 12.446 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 -0.000) 0.000 12.651 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 -0.000) 0.000 12.777 ( 0.000 0.000 -0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 -0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 13.750 ( 0.000 0.000 -0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 14.870 ( 0.000 0.000 -0.000) 0.000 14.902 ( 0.000 0.000 -0.000) 0.000 15.018 ( 0.000 0.000 -0.000) 0.000 15.151 ( 0.000 0.000 -0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.123 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 16.416 ( 0.000 0.000 0.000) 0.000 16.426 ( 0.000 0.000 0.000) 0.000 16.517 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 16.913 ( 0.000 0.000 0.000) 0.000 17.031 ( 0.000 0.000 0.000) 0.000 17.151 ( 0.000 0.000 0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 17.309 ( 0.000 0.000 0.000) 0.000 17.310 ( 0.000 0.000 -0.000) 0.000 17.379 ( 0.000 0.000 -0.000) 0.000 17.443 ( 0.000 0.000 -0.000) 0.000 17.649 ( 0.000 0.000 -0.000) 0.000 17.653 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 -0.000) 0.000 17.846 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 -0.000) 0.000 18.276 ( 0.000 0.000 0.000) 0.000 18.327 ( 0.000 0.000 0.000) 0.000 18.527 ( 0.000 0.000 0.000) 0.000 18.574 ( 0.000 0.000 -0.000) 0.000 18.638 ( 0.000 0.000 -0.000) 0.000 18.989 ( 0.000 0.000 -0.000) 0.000 19.145 ( 0.000 0.000 0.000) 0.000 19.150 ( 0.000 0.000 0.000) 0.000 19.233 ( 0.000 0.000 -0.000) 0.000 19.480 ( 0.000 0.000 0.000) 0.000 19.674 ( 0.000 0.000 0.000) 0.000 27.195 ( 0.000 0.000 0.000) 0.000 27.247 ( 0.000 0.000 0.000) 0.000 27.298 ( 0.000 0.000 0.000) 0.000 27.305 ( 0.000 0.000 0.000) 0.000 27.619 ( 0.000 0.000 -0.000) 0.000 27.641 ( 0.000 0.000 0.000) 0.000 27.794 ( 0.000 0.000 0.000) 0.000 27.890 ( 0.000 0.000 0.000) 0.000 28.145 ( 0.000 0.000 -0.000) 0.000 28.233 ( 0.000 0.000 0.000) 0.000 28.267 ( 0.000 0.000 -0.000) 0.000 28.717 ( 0.000 0.000 0.000) 0.000 28.903 ( 0.000 0.000 0.000) 0.000 28.981 ( 0.000 0.000 -0.000) 0.000 29.017 ( 0.000 0.000 0.000) 0.000 29.026 ( 0.000 0.000 0.000) 0.000 29.165 ( 0.000 0.000 0.000) 0.000 29.200 ( 0.000 0.000 -0.000) 0.000 29.349 ( 0.000 0.000 0.000) 0.000 29.475 ( 0.000 0.000 0.000) 0.000 29.710 ( 0.000 0.000 0.000) 0.000 29.891 ( 0.000 0.000 -0.000) 0.000 30.017 ( 0.000 0.000 0.000) 0.000 30.279 ( 0.000 0.000 0.000) 0.000 30.339 ( 0.000 0.000 0.000) 0.000 30.854 ( 0.000 0.000 -0.000) 0.000 30.885 ( 0.000 0.000 -0.000) 0.000 30.912 ( 0.000 0.000 0.000) 0.000 31.101 ( 0.000 0.000 -0.000) 0.000 31.328 ( 0.000 0.000 0.000) 0.000 31.388 ( 0.000 0.000 0.000) 0.000 31.541 ( 0.000 0.000 0.000) 0.000 31.548 ( 0.000 0.000 0.000) 0.000 31.742 ( 0.000 0.000 -0.000) 0.000 31.766 ( 0.000 0.000 0.000) 0.000 31.813 ( 0.000 0.000 0.000) 0.000 31.842 ( 0.000 0.000 0.000) 0.000 31.925 ( 0.000 0.000 0.000) 0.000 31.972 ( 0.000 0.000 -0.000) 0.000 32.244 ( 0.000 0.000 -0.000) 0.000 32.338 ( 0.000 0.000 0.000) 0.000 33.424 ( 0.000 0.000 -0.000) 0.000 33.887 ( 0.000 0.000 0.000) 0.000 34.195 ( 0.000 0.000 0.000) 0.000 35.948 ( 0.000 0.000 -0.000) 0.000 36.434 ( 0.000 0.000 -0.000) 0.000 36.986 ( 0.000 0.000 0.000) 0.000 37.009 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 35.628 0.000 0.000) 35.628 0.874 ( 43.216 0.000 0.000) 43.216 1.654 ( 78.358 0.000 0.000) 78.358 1.795 ( 25.506 0.000 0.000) 25.506 2.117 ( -20.796 0.000 0.000) 20.796 2.141 ( -9.593 0.000 0.000) 9.593 2.427 ( -3.766 0.000 0.000) 3.766 2.475 ( 2.551 0.000 0.000) 2.551 2.548 ( -16.916 0.000 0.000) 16.916 2.773 ( -19.746 0.000 0.000) 19.746 2.798 ( -2.429 0.000 0.000) 2.429 2.961 ( -7.871 0.000 0.000) 7.871 2.973 ( -5.932 0.000 0.000) 5.932 3.195 ( 9.589 0.000 0.000) 9.589 3.345 ( -1.554 0.000 0.000) 1.554 3.404 ( 5.583 0.000 0.000) 5.583 3.525 ( -2.713 0.000 0.000) 2.713 3.652 ( 5.884 0.000 0.000) 5.884 3.692 ( -11.556 0.000 0.000) 11.556 3.804 ( 7.512 0.000 0.000) 7.512 3.979 ( 0.982 0.000 0.000) 0.982 4.118 ( -2.952 0.000 0.000) 2.952 4.153 ( 25.296 0.000 0.000) 25.296 4.258 ( -12.841 0.000 0.000) 12.841 4.317 ( 9.396 0.000 0.000) 9.396 4.524 ( 23.014 0.000 0.000) 23.014 4.579 ( -12.742 0.000 0.000) 12.742 4.598 ( 3.558 0.000 0.000) 3.558 4.642 ( -5.649 0.000 0.000) 5.649 4.869 ( -0.600 0.000 0.000) 0.600 4.898 ( -6.356 0.000 0.000) 6.356 5.000 ( 2.951 0.000 0.000) 2.951 5.010 ( -22.999 0.000 0.000) 22.999 5.068 ( 9.791 0.000 0.000) 9.791 5.072 ( 2.204 0.000 0.000) 2.204 5.176 ( -11.550 0.000 0.000) 11.550 5.301 ( 1.261 0.000 0.000) 1.261 5.538 ( 8.457 0.000 0.000) 8.457 5.578 ( 13.908 0.000 0.000) 13.908 5.774 ( -1.319 0.000 0.000) 1.319 5.826 ( -13.385 0.000 0.000) 13.385 5.997 ( 10.501 0.000 0.000) 10.501 6.014 ( -1.895 0.000 0.000) 1.895 6.142 ( 14.723 0.000 0.000) 14.723 6.181 ( 15.798 0.000 0.000) 15.798 6.359 ( -8.820 0.000 0.000) 8.820 6.391 ( 2.331 0.000 0.000) 2.331 6.571 ( 3.310 0.000 0.000) 3.310 6.588 ( 2.759 0.000 0.000) 2.759 6.595 ( 1.960 0.000 0.000) 1.960 6.702 ( -5.833 0.000 0.000) 5.833 6.955 ( -4.739 0.000 0.000) 4.739 6.956 ( 0.065 0.000 0.000) 0.065 7.177 ( -1.898 0.000 0.000) 1.898 7.275 ( -2.721 0.000 0.000) 2.721 7.394 ( 5.296 0.000 0.000) 5.296 7.437 ( -2.935 0.000 0.000) 2.935 7.664 ( -8.953 0.000 0.000) 8.953 7.666 ( 5.665 0.000 0.000) 5.665 7.723 ( -0.808 0.000 0.000) 0.808 7.832 ( -5.576 0.000 0.000) 5.576 7.858 ( -3.223 0.000 0.000) 3.223 7.941 ( -5.180 0.000 0.000) 5.180 7.955 ( -4.034 0.000 0.000) 4.034 8.079 ( -8.596 0.000 0.000) 8.596 8.175 ( -5.761 0.000 0.000) 5.761 8.244 ( -3.506 0.000 0.000) 3.506 8.256 ( -0.273 0.000 0.000) 0.273 8.354 ( 1.257 0.000 0.000) 1.257 8.379 ( -6.118 0.000 0.000) 6.118 8.397 ( -1.706 0.000 0.000) 1.706 8.497 ( -0.305 0.000 0.000) 0.305 8.578 ( 7.264 0.000 0.000) 7.264 8.698 ( -1.013 0.000 0.000) 1.013 8.708 ( -1.217 0.000 0.000) 1.217 8.805 ( -3.440 0.000 0.000) 3.440 8.850 ( 5.386 0.000 0.000) 5.386 8.949 ( -3.412 0.000 0.000) 3.412 8.997 ( 8.309 0.000 0.000) 8.309 9.161 ( -2.457 0.000 0.000) 2.457 9.289 ( 3.103 0.000 0.000) 3.103 9.352 ( 1.153 0.000 0.000) 1.153 9.378 ( -6.520 0.000 0.000) 6.520 9.469 ( -6.193 0.000 0.000) 6.193 9.569 ( 0.182 0.000 0.000) 0.182 9.582 ( -8.349 0.000 0.000) 8.349 9.674 ( -1.385 0.000 0.000) 1.385 9.737 ( -0.995 0.000 0.000) 0.995 9.873 ( 0.204 0.000 0.000) 0.204 9.902 ( 1.821 0.000 0.000) 1.821 9.942 ( 2.497 0.000 0.000) 2.497 9.962 ( 2.179 0.000 0.000) 2.179 10.039 ( 6.663 0.000 0.000) 6.663 10.129 ( 4.334 0.000 0.000) 4.334 10.193 ( 3.011 0.000 0.000) 3.011 10.313 ( 5.784 0.000 0.000) 5.784 10.445 ( -5.660 0.000 0.000) 5.660 10.548 ( 0.398 0.000 0.000) 0.398 10.702 ( -6.612 0.000 0.000) 6.612 10.830 ( -2.216 0.000 0.000) 2.216 10.956 ( 8.762 0.000 0.000) 8.762 11.006 ( -0.508 0.000 0.000) 0.508 11.107 ( 2.572 0.000 0.000) 2.572 11.220 ( 5.988 0.000 0.000) 5.988 11.224 ( 0.084 0.000 0.000) 0.084 11.334 ( -1.329 0.000 0.000) 1.329 11.455 ( -4.232 0.000 0.000) 4.232 11.882 ( -6.231 0.000 0.000) 6.231 11.965 ( 2.055 0.000 0.000) 2.055 12.040 ( 2.786 0.000 0.000) 2.786 12.044 ( 2.611 0.000 0.000) 2.611 12.188 ( 5.253 0.000 0.000) 5.253 12.274 ( -6.133 0.000 0.000) 6.133 12.410 ( -2.430 0.000 0.000) 2.430 12.601 ( 5.890 0.000 0.000) 5.890 12.633 ( -1.805 0.000 0.000) 1.805 12.642 ( -0.528 0.000 0.000) 0.528 12.670 ( 1.312 0.000 0.000) 1.312 12.818 ( 3.533 0.000 0.000) 3.533 12.855 ( 2.718 0.000 0.000) 2.718 12.943 ( -4.276 0.000 0.000) 4.276 13.003 ( -2.821 0.000 0.000) 2.821 13.127 ( -5.668 0.000 0.000) 5.668 13.327 ( 5.039 0.000 0.000) 5.039 13.503 ( -8.422 0.000 0.000) 8.422 13.654 ( -9.841 0.000 0.000) 9.841 13.855 ( 4.399 0.000 0.000) 4.399 14.497 ( -10.360 0.000 0.000) 10.360 14.854 ( -1.034 0.000 0.000) 1.034 14.893 ( -0.503 0.000 0.000) 0.503 15.027 ( 1.078 0.000 0.000) 1.078 15.151 ( -0.549 0.000 0.000) 0.549 15.667 ( -1.620 0.000 0.000) 1.620 15.686 ( 4.448 0.000 0.000) 4.448 15.773 ( -0.547 0.000 0.000) 0.547 16.002 ( 2.405 0.000 0.000) 2.405 16.091 ( 13.548 0.000 0.000) 13.548 16.168 ( 3.208 0.000 0.000) 3.208 16.334 ( -0.276 0.000 0.000) 0.276 16.342 ( -1.233 0.000 0.000) 1.233 16.470 ( 3.275 0.000 0.000) 3.275 16.534 ( 1.809 0.000 0.000) 1.809 16.579 ( 7.805 0.000 0.000) 7.805 16.789 ( -1.441 0.000 0.000) 1.441 16.988 ( 2.724 0.000 0.000) 2.724 17.036 ( 0.227 0.000 0.000) 0.227 17.190 ( -2.677 0.000 0.000) 2.677 17.196 ( -3.820 0.000 0.000) 3.820 17.284 ( -5.459 0.000 0.000) 5.459 17.291 ( -0.748 0.000 0.000) 0.748 17.416 ( 2.648 0.000 0.000) 2.648 17.457 ( 0.312 0.000 0.000) 0.312 17.601 ( -4.180 0.000 0.000) 4.180 17.687 ( 3.417 0.000 0.000) 3.417 17.720 ( 0.868 0.000 0.000) 0.868 17.861 ( 1.003 0.000 0.000) 1.003 18.259 ( 5.027 0.000 0.000) 5.027 18.287 ( 1.281 0.000 0.000) 1.281 18.351 ( 2.002 0.000 0.000) 2.002 18.558 ( 3.477 0.000 0.000) 3.477 18.628 ( 4.763 0.000 0.000) 4.763 18.653 ( 1.426 0.000 0.000) 1.426 18.980 ( -0.785 0.000 0.000) 0.785 19.088 ( -5.627 0.000 0.000) 5.627 19.146 ( -0.446 0.000 0.000) 0.446 19.215 ( -2.373 0.000 0.000) 2.373 19.448 ( -3.142 0.000 0.000) 3.142 19.598 ( -6.852 0.000 0.000) 6.852 27.210 ( 1.515 0.000 0.000) 1.515 27.299 ( 0.144 0.000 0.000) 0.144 27.314 ( 0.887 0.000 0.000) 0.887 27.583 ( -4.051 0.000 0.000) 4.051 27.626 ( 0.871 0.000 0.000) 0.871 27.673 ( 1.187 0.000 0.000) 1.187 27.903 ( 0.889 0.000 0.000) 0.889 28.008 ( -6.291 0.000 0.000) 6.291 28.215 ( -0.024 0.000 0.000) 0.024 28.318 ( 3.514 0.000 0.000) 3.514 28.328 ( 6.828 0.000 0.000) 6.828 28.659 ( -5.485 0.000 0.000) 5.485 28.882 ( -0.877 0.000 0.000) 0.877 28.952 ( -2.083 0.000 0.000) 2.083 29.034 ( 0.943 0.000 0.000) 0.943 29.107 ( 3.556 0.000 0.000) 3.556 29.149 ( -1.304 0.000 0.000) 1.304 29.344 ( -0.366 0.000 0.000) 0.366 29.410 ( -1.986 0.000 0.000) 1.986 29.463 ( -1.337 0.000 0.000) 1.337 29.750 ( 2.858 0.000 0.000) 2.858 29.889 ( -0.261 0.000 0.000) 0.261 30.293 ( 1.251 0.000 0.000) 1.251 30.339 ( -0.035 0.000 0.000) 0.035 30.516 ( -0.562 0.000 0.000) 0.562 30.841 ( -6.069 0.000 0.000) 6.069 30.945 ( 5.851 0.000 0.000) 5.851 31.152 ( 4.076 0.000 0.000) 4.076 31.270 ( 0.820 0.000 0.000) 0.820 31.304 ( -2.131 0.000 0.000) 2.131 31.375 ( -1.086 0.000 0.000) 1.086 31.522 ( -2.630 0.000 0.000) 2.630 31.735 ( -0.169 0.000 0.000) 0.169 31.744 ( 0.556 0.000 0.000) 0.556 31.818 ( -0.598 0.000 0.000) 0.598 31.867 ( 3.289 0.000 0.000) 3.289 31.881 ( -3.256 0.000 0.000) 3.256 31.970 ( -0.780 0.000 0.000) 0.780 32.178 ( -6.115 0.000 0.000) 6.115 32.309 ( -2.999 0.000 0.000) 2.999 33.517 ( 8.704 0.000 0.000) 8.704 33.895 ( 0.984 0.000 0.000) 0.984 34.299 ( 10.177 0.000 0.000) 10.177 35.565 ( -13.171 0.000 0.000) 13.171 36.015 ( 6.685 0.000 0.000) 6.685 36.491 ( 4.509 0.000 0.000) 4.509 36.966 ( -4.595 0.000 0.000) 4.595 36.988 ( -2.078 0.000 0.000) 2.078 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 17.549 0.000 0.000) 17.549 1.529 ( 10.345 0.000 0.000) 10.345 1.782 ( -1.996 0.000 0.000) 1.996 2.019 ( 9.939 0.000 0.000) 9.939 2.108 ( -11.615 0.000 0.000) 11.615 2.210 ( 9.770 0.000 0.000) 9.770 2.474 ( 3.404 0.000 0.000) 3.404 2.518 ( 1.407 0.000 0.000) 1.407 2.583 ( -0.529 0.000 0.000) 0.529 2.642 ( -12.547 0.000 0.000) 12.547 2.818 ( -4.789 0.000 0.000) 4.789 2.938 ( 0.943 0.000 0.000) 0.943 3.074 ( 38.106 0.000 0.000) 38.106 3.181 ( -9.260 0.000 0.000) 9.260 3.349 ( 4.387 0.000 0.000) 4.387 3.375 ( 11.814 0.000 0.000) 11.814 3.515 ( -2.554 0.000 0.000) 2.554 3.627 ( -8.336 0.000 0.000) 8.336 3.734 ( -13.802 0.000 0.000) 13.802 3.883 ( 2.697 0.000 0.000) 2.697 3.923 ( 15.389 0.000 0.000) 15.389 4.098 ( 0.803 0.000 0.000) 0.803 4.193 ( -7.220 0.000 0.000) 7.220 4.273 ( -14.348 0.000 0.000) 14.348 4.329 ( 12.784 0.000 0.000) 12.784 4.534 ( 1.981 0.000 0.000) 1.981 4.554 ( -4.468 0.000 0.000) 4.468 4.612 ( 9.735 0.000 0.000) 9.735 4.656 ( 0.307 0.000 0.000) 0.307 4.714 ( -9.629 0.000 0.000) 9.629 4.856 ( -13.510 0.000 0.000) 13.510 4.992 ( 22.615 0.000 0.000) 22.615 5.081 ( 8.905 0.000 0.000) 8.905 5.114 ( 8.459 0.000 0.000) 8.459 5.286 ( 11.487 0.000 0.000) 11.487 5.330 ( 8.570 0.000 0.000) 8.570 5.382 ( 3.476 0.000 0.000) 3.476 5.589 ( -2.279 0.000 0.000) 2.279 5.640 ( 0.523 0.000 0.000) 0.523 5.691 ( -7.588 0.000 0.000) 7.588 5.892 ( -1.745 0.000 0.000) 1.745 5.958 ( -19.409 0.000 0.000) 19.409 6.062 ( 24.871 0.000 0.000) 24.871 6.202 ( -17.100 0.000 0.000) 17.100 6.295 ( 12.417 0.000 0.000) 12.417 6.411 ( -15.769 0.000 0.000) 15.769 6.475 ( 7.174 0.000 0.000) 7.174 6.535 ( 2.029 0.000 0.000) 2.029 6.583 ( 2.939 0.000 0.000) 2.939 6.602 ( 9.583 0.000 0.000) 9.583 6.717 ( -0.168 0.000 0.000) 0.168 6.811 ( -6.786 0.000 0.000) 6.786 6.953 ( 0.836 0.000 0.000) 0.836 7.064 ( -9.429 0.000 0.000) 9.429 7.306 ( -5.802 0.000 0.000) 5.802 7.380 ( 6.431 0.000 0.000) 6.431 7.427 ( -6.042 0.000 0.000) 6.042 7.476 ( -0.923 0.000 0.000) 0.923 7.606 ( -5.374 0.000 0.000) 5.374 7.677 ( -17.304 0.000 0.000) 17.304 7.727 ( -7.024 0.000 0.000) 7.024 7.753 ( 0.562 0.000 0.000) 0.562 7.836 ( 5.693 0.000 0.000) 5.693 7.950 ( 0.568 0.000 0.000) 0.568 8.111 ( -4.239 0.000 0.000) 4.239 8.125 ( 4.174 0.000 0.000) 4.174 8.148 ( -2.791 0.000 0.000) 2.791 8.253 ( 4.340 0.000 0.000) 4.340 8.302 ( -0.776 0.000 0.000) 0.776 8.381 ( -0.477 0.000 0.000) 0.477 8.447 ( 5.848 0.000 0.000) 5.848 8.477 ( -3.094 0.000 0.000) 3.094 8.619 ( -5.133 0.000 0.000) 5.133 8.685 ( 2.472 0.000 0.000) 2.472 8.714 ( 1.283 0.000 0.000) 1.283 8.744 ( -10.144 0.000 0.000) 10.144 8.820 ( 0.670 0.000 0.000) 0.670 8.994 ( 4.785 0.000 0.000) 4.785 9.111 ( -8.252 0.000 0.000) 8.252 9.153 ( -6.835 0.000 0.000) 6.835 9.169 ( 9.265 0.000 0.000) 9.265 9.186 ( -0.743 0.000 0.000) 0.743 9.382 ( -1.828 0.000 0.000) 1.828 9.399 ( -3.457 0.000 0.000) 3.457 9.526 ( -1.567 0.000 0.000) 1.567 9.595 ( -5.022 0.000 0.000) 5.022 9.638 ( 2.304 0.000 0.000) 2.304 9.746 ( 3.497 0.000 0.000) 3.497 9.849 ( -0.624 0.000 0.000) 0.624 9.898 ( -2.551 0.000 0.000) 2.551 9.983 ( 0.777 0.000 0.000) 0.777 10.004 ( 2.780 0.000 0.000) 2.780 10.148 ( 0.875 0.000 0.000) 0.875 10.159 ( -1.102 0.000 0.000) 1.102 10.255 ( 3.064 0.000 0.000) 3.064 10.400 ( 0.718 0.000 0.000) 0.718 10.411 ( 6.391 0.000 0.000) 6.391 10.649 ( 5.874 0.000 0.000) 5.874 10.692 ( 4.052 0.000 0.000) 4.052 10.729 ( -3.042 0.000 0.000) 3.042 10.943 ( -4.748 0.000 0.000) 4.748 11.042 ( -6.252 0.000 0.000) 6.252 11.139 ( 7.153 0.000 0.000) 7.153 11.255 ( -0.038 0.000 0.000) 0.038 11.310 ( -0.239 0.000 0.000) 0.239 11.358 ( -2.269 0.000 0.000) 2.269 11.400 ( 8.516 0.000 0.000) 8.516 11.748 ( -7.652 0.000 0.000) 7.652 12.042 ( 2.906 0.000 0.000) 2.906 12.090 ( 5.088 0.000 0.000) 5.088 12.093 ( 1.581 0.000 0.000) 1.581 12.221 ( -1.788 0.000 0.000) 1.788 12.225 ( 0.717 0.000 0.000) 0.717 12.371 ( -1.679 0.000 0.000) 1.679 12.602 ( -1.001 0.000 0.000) 1.001 12.609 ( -0.345 0.000 0.000) 0.345 12.706 ( 2.031 0.000 0.000) 2.031 12.709 ( 3.322 0.000 0.000) 3.322 12.811 ( -5.507 0.000 0.000) 5.507 12.867 ( -0.405 0.000 0.000) 0.405 12.917 ( 1.321 0.000 0.000) 1.321 12.991 ( -6.108 0.000 0.000) 6.108 13.003 ( 2.086 0.000 0.000) 2.086 13.298 ( -13.631 0.000 0.000) 13.631 13.387 ( 0.920 0.000 0.000) 0.920 13.437 ( -7.279 0.000 0.000) 7.279 13.983 ( 8.358 0.000 0.000) 8.358 14.313 ( -8.156 0.000 0.000) 8.156 14.847 ( 0.452 0.000 0.000) 0.452 14.887 ( -0.533 0.000 0.000) 0.533 15.050 ( 1.038 0.000 0.000) 1.038 15.119 ( -2.398 0.000 0.000) 2.398 15.681 ( 2.721 0.000 0.000) 2.721 15.735 ( 1.221 0.000 0.000) 1.221 15.851 ( 6.792 0.000 0.000) 6.792 16.040 ( 0.242 0.000 0.000) 0.242 16.219 ( 1.881 0.000 0.000) 1.881 16.300 ( 3.926 0.000 0.000) 3.926 16.338 ( 0.947 0.000 0.000) 0.947 16.376 ( 1.610 0.000 0.000) 1.610 16.501 ( 2.937 0.000 0.000) 2.937 16.537 ( 4.601 0.000 0.000) 4.601 16.769 ( 9.466 0.000 0.000) 9.466 16.852 ( 5.142 0.000 0.000) 5.142 16.967 ( -4.679 0.000 0.000) 4.679 17.024 ( -1.673 0.000 0.000) 1.673 17.095 ( -6.020 0.000 0.000) 6.020 17.132 ( -4.669 0.000 0.000) 4.669 17.198 ( -0.769 0.000 0.000) 0.769 17.280 ( -1.338 0.000 0.000) 1.338 17.427 ( -1.677 0.000 0.000) 1.677 17.448 ( -1.046 0.000 0.000) 1.046 17.571 ( 2.388 0.000 0.000) 2.388 17.696 ( -1.864 0.000 0.000) 1.864 17.786 ( 4.254 0.000 0.000) 4.254 17.869 ( -0.292 0.000 0.000) 0.292 18.325 ( 2.377 0.000 0.000) 2.377 18.354 ( 2.361 0.000 0.000) 2.361 18.411 ( 5.857 0.000 0.000) 5.857 18.638 ( -2.541 0.000 0.000) 2.541 18.663 ( 6.799 0.000 0.000) 6.799 18.760 ( 7.014 0.000 0.000) 7.014 18.957 ( -7.377 0.000 0.000) 7.377 18.957 ( -1.819 0.000 0.000) 1.819 19.130 ( -1.187 0.000 0.000) 1.187 19.149 ( -3.454 0.000 0.000) 3.454 19.381 ( -2.887 0.000 0.000) 2.887 19.458 ( -6.482 0.000 0.000) 6.482 27.253 ( 2.694 0.000 0.000) 2.694 27.302 ( 0.068 0.000 0.000) 0.068 27.337 ( 1.540 0.000 0.000) 1.540 27.487 ( -5.476 0.000 0.000) 5.476 27.653 ( 1.700 0.000 0.000) 1.700 27.688 ( 0.287 0.000 0.000) 0.287 27.910 ( -0.156 0.000 0.000) 0.156 27.926 ( -2.326 0.000 0.000) 2.326 28.251 ( 3.641 0.000 0.000) 3.641 28.387 ( 3.506 0.000 0.000) 3.506 28.403 ( 0.322 0.000 0.000) 0.322 28.538 ( -5.981 0.000 0.000) 5.981 28.880 ( 0.380 0.000 0.000) 0.380 28.914 ( -1.618 0.000 0.000) 1.618 29.044 ( 0.207 0.000 0.000) 0.207 29.084 ( -2.681 0.000 0.000) 2.681 29.207 ( 4.633 0.000 0.000) 4.633 29.335 ( -0.831 0.000 0.000) 0.831 29.395 ( 0.094 0.000 0.000) 0.094 29.425 ( -2.231 0.000 0.000) 2.231 29.799 ( 2.288 0.000 0.000) 2.288 29.876 ( -1.188 0.000 0.000) 1.188 30.319 ( 1.294 0.000 0.000) 1.294 30.339 ( 0.024 0.000 0.000) 0.024 30.521 ( 1.443 0.000 0.000) 1.443 30.706 ( -7.259 0.000 0.000) 7.259 31.091 ( 8.428 0.000 0.000) 8.428 31.228 ( 2.468 0.000 0.000) 2.468 31.269 ( -0.103 0.000 0.000) 0.103 31.276 ( 0.037 0.000 0.000) 0.037 31.358 ( -0.798 0.000 0.000) 0.798 31.445 ( -5.370 0.000 0.000) 5.370 31.740 ( -0.819 0.000 0.000) 0.819 31.741 ( 0.614 0.000 0.000) 0.614 31.798 ( -0.886 0.000 0.000) 0.886 31.836 ( -1.169 0.000 0.000) 1.169 31.941 ( -1.584 0.000 0.000) 1.584 31.953 ( 4.499 0.000 0.000) 4.499 32.053 ( -4.985 0.000 0.000) 4.985 32.224 ( -5.599 0.000 0.000) 5.599 33.711 ( 9.886 0.000 0.000) 9.886 33.906 ( -0.362 0.000 0.000) 0.362 34.559 ( 15.923 0.000 0.000) 15.923 35.253 ( -17.975 0.000 0.000) 17.975 36.193 ( 11.151 0.000 0.000) 11.151 36.544 ( -0.961 0.000 0.000) 0.961 36.868 ( -3.829 0.000 0.000) 3.829 36.932 ( -3.509 0.000 0.000) 3.509 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.422 0.000 0.000) 2.422 1.428 ( 2.422 0.000 0.000) 2.422 2.018 ( -10.533 0.000 0.000) 10.533 2.018 ( 10.533 0.000 0.000) 10.533 2.183 ( -12.628 0.000 0.000) 12.628 2.183 ( 12.628 0.000 0.000) 12.628 2.487 ( -0.306 0.000 0.000) 0.306 2.487 ( 0.306 0.000 0.000) 0.306 2.616 ( -1.007 0.000 0.000) 1.007 2.616 ( 1.007 0.000 0.000) 1.007 2.886 ( -13.924 0.000 0.000) 13.924 2.886 ( 13.924 0.000 0.000) 13.924 3.202 ( -5.540 0.000 0.000) 5.540 3.202 ( 5.540 0.000 0.000) 5.540 3.240 ( -2.323 0.000 0.000) 2.323 3.240 ( 2.323 0.000 0.000) 2.323 3.602 ( -0.576 0.000 0.000) 0.576 3.602 ( 0.576 0.000 0.000) 0.576 3.771 ( -23.126 0.000 0.000) 23.126 3.771 ( 23.126 0.000 0.000) 23.126 4.070 ( -6.025 0.000 0.000) 6.025 4.070 ( 6.025 0.000 0.000) 6.025 4.279 ( -17.181 0.000 0.000) 17.181 4.279 ( 17.181 0.000 0.000) 17.181 4.488 ( -8.799 0.000 0.000) 8.799 4.488 ( 8.799 0.000 0.000) 8.799 4.626 ( -8.804 0.000 0.000) 8.804 4.626 ( 8.804 0.000 0.000) 8.804 4.646 ( -0.901 0.000 0.000) 0.901 4.646 ( 0.901 0.000 0.000) 0.901 5.002 ( -24.759 0.000 0.000) 24.759 5.002 ( 24.759 0.000 0.000) 24.759 5.317 ( -13.649 0.000 0.000) 13.649 5.317 ( 13.649 0.000 0.000) 13.649 5.398 ( -6.644 0.000 0.000) 6.644 5.398 ( 6.644 0.000 0.000) 6.644 5.492 ( -5.674 0.000 0.000) 5.674 5.492 ( 5.674 0.000 0.000) 5.674 5.530 ( -9.029 0.000 0.000) 9.029 5.530 ( 9.029 0.000 0.000) 9.029 5.758 ( -7.230 0.000 0.000) 7.230 5.758 ( 7.230 0.000 0.000) 7.230 6.034 ( -13.656 0.000 0.000) 13.656 6.034 ( 13.656 0.000 0.000) 13.656 6.427 ( -1.873 0.000 0.000) 1.873 6.427 ( 1.873 0.000 0.000) 1.873 6.554 ( -0.671 0.000 0.000) 0.671 6.554 ( 0.671 0.000 0.000) 0.671 6.698 ( -4.128 0.000 0.000) 4.128 6.698 ( 4.128 0.000 0.000) 4.128 6.782 ( -16.858 0.000 0.000) 16.858 6.782 ( 16.858 0.000 0.000) 16.858 6.906 ( -9.525 0.000 0.000) 9.525 6.906 ( 9.525 0.000 0.000) 9.525 7.296 ( -8.613 0.000 0.000) 8.613 7.296 ( 8.613 0.000 0.000) 8.613 7.426 ( -2.704 0.000 0.000) 2.704 7.426 ( 2.704 0.000 0.000) 2.704 7.547 ( -1.033 0.000 0.000) 1.033 7.547 ( 1.033 0.000 0.000) 1.033 7.705 ( -5.228 0.000 0.000) 5.228 7.705 ( 5.228 0.000 0.000) 5.228 7.933 ( -1.994 0.000 0.000) 1.994 7.933 ( 1.994 0.000 0.000) 1.994 8.047 ( -1.384 0.000 0.000) 1.384 8.047 ( 1.384 0.000 0.000) 1.384 8.306 ( -6.450 0.000 0.000) 6.450 8.306 ( 6.450 0.000 0.000) 6.450 8.318 ( -5.443 0.000 0.000) 5.443 8.318 ( 5.443 0.000 0.000) 5.443 8.474 ( -8.141 0.000 0.000) 8.141 8.474 ( 8.141 0.000 0.000) 8.141 8.576 ( -5.003 0.000 0.000) 5.003 8.576 ( 5.003 0.000 0.000) 5.003 8.722 ( -1.066 0.000 0.000) 1.066 8.722 ( 1.066 0.000 0.000) 1.066 8.885 ( -5.213 0.000 0.000) 5.213 8.885 ( 5.213 0.000 0.000) 5.213 9.081 ( -1.225 0.000 0.000) 1.225 9.081 ( 1.225 0.000 0.000) 1.225 9.307 ( -5.989 0.000 0.000) 5.989 9.307 ( 5.989 0.000 0.000) 5.989 9.384 ( -6.565 0.000 0.000) 6.565 9.384 ( 6.565 0.000 0.000) 6.565 9.429 ( -0.227 0.000 0.000) 0.227 9.429 ( 0.227 0.000 0.000) 0.227 9.738 ( -5.450 0.000 0.000) 5.450 9.738 ( 5.450 0.000 0.000) 5.450 9.856 ( -0.618 0.000 0.000) 0.618 9.856 ( 0.618 0.000 0.000) 0.618 10.052 ( -0.609 0.000 0.000) 0.609 10.052 ( 0.609 0.000 0.000) 0.609 10.097 ( -1.237 0.000 0.000) 1.237 10.097 ( 1.237 0.000 0.000) 1.237 10.352 ( -4.773 0.000 0.000) 4.773 10.352 ( 4.773 0.000 0.000) 4.773 10.564 ( -7.204 0.000 0.000) 7.204 10.564 ( 7.204 0.000 0.000) 7.204 10.807 ( -5.868 0.000 0.000) 5.868 10.807 ( 5.868 0.000 0.000) 5.868 10.892 ( -8.273 0.000 0.000) 8.273 10.892 ( 8.273 0.000 0.000) 8.273 11.232 ( -2.379 0.000 0.000) 2.379 11.232 ( 2.379 0.000 0.000) 2.379 11.312 ( -0.770 0.000 0.000) 0.770 11.312 ( 0.770 0.000 0.000) 0.770 11.587 ( -9.003 0.000 0.000) 9.003 11.587 ( 9.003 0.000 0.000) 9.003 12.079 ( -2.249 0.000 0.000) 2.249 12.079 ( 2.249 0.000 0.000) 2.249 12.184 ( -1.962 0.000 0.000) 1.962 12.184 ( 1.962 0.000 0.000) 1.962 12.297 ( -5.956 0.000 0.000) 5.956 12.297 ( 5.956 0.000 0.000) 5.956 12.607 ( -0.884 0.000 0.000) 0.884 12.607 ( 0.884 0.000 0.000) 0.884 12.736 ( -1.411 0.000 0.000) 1.411 12.736 ( 1.411 0.000 0.000) 1.411 12.773 ( -4.764 0.000 0.000) 4.764 12.773 ( 4.764 0.000 0.000) 4.764 12.955 ( -0.987 0.000 0.000) 0.987 12.955 ( 0.987 0.000 0.000) 0.987 13.074 ( -7.194 0.000 0.000) 7.194 13.074 ( 7.194 0.000 0.000) 7.194 13.385 ( -0.049 0.000 0.000) 0.049 13.385 ( 0.049 0.000 0.000) 0.049 14.154 ( -8.688 0.000 0.000) 8.688 14.154 ( 8.688 0.000 0.000) 8.688 14.867 ( -1.325 0.000 0.000) 1.325 14.867 ( 1.325 0.000 0.000) 1.325 15.076 ( -1.810 0.000 0.000) 1.810 15.076 ( 1.810 0.000 0.000) 1.810 15.733 ( -1.697 0.000 0.000) 1.697 15.733 ( 1.697 0.000 0.000) 1.697 15.984 ( -5.809 0.000 0.000) 5.809 15.984 ( 5.809 0.000 0.000) 5.809 16.272 ( -4.166 0.000 0.000) 4.166 16.272 ( 4.166 0.000 0.000) 4.166 16.354 ( -0.299 0.000 0.000) 0.299 16.354 ( 0.299 0.000 0.000) 0.299 16.618 ( -0.032 0.000 0.000) 0.032 16.618 ( 0.032 0.000 0.000) 0.032 16.871 ( -1.092 0.000 0.000) 1.092 16.871 ( 1.092 0.000 0.000) 1.092 16.972 ( -5.093 0.000 0.000) 5.093 16.972 ( 5.093 0.000 0.000) 5.093 17.030 ( -3.702 0.000 0.000) 3.702 17.030 ( 3.702 0.000 0.000) 3.702 17.230 ( -2.822 0.000 0.000) 2.822 17.230 ( 2.822 0.000 0.000) 2.822 17.423 ( -1.214 0.000 0.000) 1.214 17.423 ( 1.214 0.000 0.000) 1.214 17.640 ( -3.657 0.000 0.000) 3.657 17.640 ( 3.657 0.000 0.000) 3.657 17.847 ( -2.057 0.000 0.000) 2.057 17.847 ( 2.057 0.000 0.000) 2.057 18.361 ( -0.951 0.000 0.000) 0.951 18.361 ( 0.951 0.000 0.000) 0.951 18.545 ( -6.598 0.000 0.000) 6.598 18.545 ( 6.598 0.000 0.000) 6.598 18.799 ( -6.676 0.000 0.000) 6.676 18.799 ( 6.676 0.000 0.000) 6.676 18.896 ( -4.387 0.000 0.000) 4.387 18.896 ( 4.387 0.000 0.000) 4.387 19.113 ( -0.060 0.000 0.000) 0.060 19.113 ( 0.060 0.000 0.000) 0.060 19.370 ( -2.166 0.000 0.000) 2.166 19.370 ( 2.166 0.000 0.000) 2.166 27.295 ( -1.160 0.000 0.000) 1.160 27.295 ( 1.160 0.000 0.000) 1.160 27.388 ( -4.150 0.000 0.000) 4.150 27.388 ( 4.150 0.000 0.000) 4.150 27.681 ( -1.015 0.000 0.000) 1.015 27.681 ( 1.015 0.000 0.000) 1.015 27.906 ( -0.094 0.000 0.000) 0.094 27.906 ( 0.094 0.000 0.000) 0.094 28.343 ( -5.171 0.000 0.000) 5.171 28.343 ( 5.171 0.000 0.000) 5.171 28.452 ( -3.343 0.000 0.000) 3.343 28.452 ( 3.343 0.000 0.000) 3.343 28.891 ( -0.807 0.000 0.000) 0.807 28.891 ( 0.807 0.000 0.000) 0.807 29.051 ( -0.739 0.000 0.000) 0.739 29.051 ( 0.739 0.000 0.000) 0.739 29.291 ( -3.724 0.000 0.000) 3.724 29.291 ( 3.724 0.000 0.000) 3.724 29.399 ( -0.391 0.000 0.000) 0.391 29.399 ( 0.391 0.000 0.000) 0.391 29.843 ( -2.133 0.000 0.000) 2.133 29.843 ( 2.133 0.000 0.000) 2.133 30.337 ( -0.424 0.000 0.000) 0.424 30.337 ( 0.424 0.000 0.000) 0.424 30.582 ( -5.020 0.000 0.000) 5.020 30.582 ( 5.020 0.000 0.000) 5.020 31.214 ( -2.699 0.000 0.000) 2.699 31.214 ( 2.699 0.000 0.000) 2.699 31.315 ( -1.395 0.000 0.000) 1.395 31.315 ( 1.395 0.000 0.000) 1.395 31.329 ( -1.561 0.000 0.000) 1.561 31.329 ( 1.561 0.000 0.000) 1.561 31.738 ( -0.715 0.000 0.000) 0.715 31.738 ( 0.715 0.000 0.000) 0.715 31.809 ( -1.763 0.000 0.000) 1.763 31.809 ( 1.763 0.000 0.000) 1.763 31.942 ( -2.064 0.000 0.000) 2.064 31.942 ( 2.064 0.000 0.000) 2.064 32.102 ( -6.494 0.000 0.000) 6.494 32.102 ( 6.494 0.000 0.000) 6.494 33.859 ( -4.947 0.000 0.000) 4.947 33.859 ( 4.947 0.000 0.000) 4.947 34.896 ( -18.311 0.000 0.000) 18.311 34.896 ( 18.311 0.000 0.000) 18.311 36.417 ( -10.754 0.000 0.000) 10.754 36.417 ( 10.754 0.000 0.000) 10.754 36.865 ( -2.761 0.000 0.000) 2.761 36.865 ( 2.761 0.000 0.000) 2.761 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 37.345 0.000) 37.345 0.921 ( 0.000 43.291 0.000) 43.291 1.303 ( 0.000 51.718 0.000) 51.718 1.738 ( 0.000 20.529 0.000) 20.529 2.072 ( 0.000 -15.182 0.000) 15.182 2.304 ( 0.000 -3.058 0.000) 3.058 2.407 ( 0.000 -6.694 0.000) 6.694 2.584 ( 0.000 1.418 0.000) 1.418 2.697 ( 0.000 -17.200 0.000) 17.200 2.813 ( 0.000 -8.339 0.000) 8.339 2.921 ( 0.000 3.427 0.000) 3.427 3.067 ( 0.000 0.716 0.000) 0.716 3.083 ( 0.000 1.373 0.000) 1.373 3.121 ( 0.000 1.254 0.000) 1.254 3.176 ( 0.000 -13.849 0.000) 13.849 3.256 ( 0.000 -0.654 0.000) 0.654 3.372 ( 0.000 -5.538 0.000) 5.538 3.452 ( 0.000 -5.278 0.000) 5.278 3.728 ( 0.000 9.595 0.000) 9.595 3.764 ( 0.000 -3.816 0.000) 3.816 3.936 ( 0.000 3.047 0.000) 3.047 4.053 ( 0.000 1.857 0.000) 1.857 4.201 ( 0.000 11.504 0.000) 11.504 4.255 ( 0.000 -5.670 0.000) 5.670 4.285 ( 0.000 -5.963 0.000) 5.963 4.403 ( 0.000 8.647 0.000) 8.647 4.535 ( 0.000 -5.481 0.000) 5.481 4.697 ( 0.000 2.024 0.000) 2.024 4.754 ( 0.000 -2.597 0.000) 2.597 4.863 ( 0.000 -15.400 0.000) 15.400 4.876 ( 0.000 8.006 0.000) 8.006 4.913 ( 0.000 4.595 0.000) 4.595 5.060 ( 0.000 -15.040 0.000) 15.040 5.070 ( 0.000 -12.111 0.000) 12.111 5.202 ( 0.000 -4.941 0.000) 4.941 5.307 ( 0.000 7.249 0.000) 7.249 5.358 ( 0.000 17.024 0.000) 17.024 5.497 ( 0.000 -2.363 0.000) 2.363 5.537 ( 0.000 7.331 0.000) 7.331 5.575 ( 0.000 -4.104 0.000) 4.104 5.761 ( 0.000 -1.695 0.000) 1.695 5.982 ( 0.000 8.472 0.000) 8.472 6.026 ( 0.000 -6.586 0.000) 6.586 6.163 ( 0.000 15.330 0.000) 15.330 6.183 ( 0.000 2.127 0.000) 2.127 6.285 ( 0.000 5.255 0.000) 5.255 6.316 ( 0.000 -5.416 0.000) 5.416 6.420 ( 0.000 -1.731 0.000) 1.731 6.611 ( 0.000 -1.833 0.000) 1.833 6.771 ( 0.000 3.435 0.000) 3.435 6.870 ( 0.000 8.719 0.000) 8.719 6.914 ( 0.000 -6.171 0.000) 6.171 6.988 ( 0.000 -9.159 0.000) 9.159 6.998 ( 0.000 3.122 0.000) 3.122 7.310 ( 0.000 -8.244 0.000) 8.244 7.449 ( 0.000 -3.783 0.000) 3.783 7.491 ( 0.000 5.558 0.000) 5.558 7.556 ( 0.000 6.799 0.000) 6.799 7.634 ( 0.000 -10.116 0.000) 10.116 7.714 ( 0.000 -1.392 0.000) 1.392 7.866 ( 0.000 0.006 0.000) 0.006 7.891 ( 0.000 2.619 0.000) 2.619 7.973 ( 0.000 -0.032 0.000) 0.032 8.056 ( 0.000 -13.500 0.000) 13.500 8.082 ( 0.000 -0.169 0.000) 0.169 8.238 ( 0.000 -3.658 0.000) 3.658 8.268 ( 0.000 0.130 0.000) 0.130 8.324 ( 0.000 -5.202 0.000) 5.202 8.343 ( 0.000 1.873 0.000) 1.873 8.369 ( 0.000 0.977 0.000) 0.977 8.454 ( 0.000 5.977 0.000) 5.977 8.490 ( 0.000 1.705 0.000) 1.705 8.594 ( 0.000 5.130 0.000) 5.130 8.751 ( 0.000 3.247 0.000) 3.247 8.769 ( 0.000 -9.348 0.000) 9.348 8.842 ( 0.000 0.037 0.000) 0.037 8.869 ( 0.000 1.423 0.000) 1.423 8.948 ( 0.000 5.209 0.000) 5.209 9.067 ( 0.000 4.733 0.000) 4.733 9.148 ( 0.000 1.667 0.000) 1.667 9.346 ( 0.000 -1.260 0.000) 1.260 9.377 ( 0.000 6.717 0.000) 6.717 9.476 ( 0.000 5.427 0.000) 5.427 9.480 ( 0.000 -8.985 0.000) 8.985 9.625 ( 0.000 6.291 0.000) 6.291 9.627 ( 0.000 -1.659 0.000) 1.659 9.708 ( 0.000 1.242 0.000) 1.242 9.727 ( 0.000 3.716 0.000) 3.716 9.790 ( 0.000 -2.058 0.000) 2.058 9.837 ( 0.000 0.955 0.000) 0.955 9.965 ( 0.000 2.896 0.000) 2.896 9.969 ( 0.000 0.722 0.000) 0.722 10.054 ( 0.000 3.688 0.000) 3.688 10.101 ( 0.000 1.745 0.000) 1.745 10.195 ( 0.000 1.596 0.000) 1.596 10.303 ( 0.000 3.606 0.000) 3.606 10.412 ( 0.000 -5.365 0.000) 5.365 10.599 ( 0.000 -1.518 0.000) 1.518 10.628 ( 0.000 -6.402 0.000) 6.402 10.664 ( 0.000 -8.644 0.000) 8.644 10.907 ( 0.000 -1.195 0.000) 1.195 10.955 ( 0.000 -1.886 0.000) 1.886 11.108 ( 0.000 2.851 0.000) 2.851 11.186 ( 0.000 1.252 0.000) 1.252 11.299 ( 0.000 2.703 0.000) 2.703 11.354 ( 0.000 2.030 0.000) 2.030 11.555 ( 0.000 5.937 0.000) 5.937 11.842 ( 0.000 -2.234 0.000) 2.234 11.910 ( 0.000 -3.154 0.000) 3.154 12.020 ( 0.000 -2.820 0.000) 2.820 12.242 ( 0.000 16.087 0.000) 16.087 12.268 ( 0.000 10.747 0.000) 10.747 12.409 ( 0.000 -1.367 0.000) 1.367 12.436 ( 0.000 1.078 0.000) 1.078 12.598 ( 0.000 1.868 0.000) 1.868 12.643 ( 0.000 1.332 0.000) 1.332 12.655 ( 0.000 0.213 0.000) 0.213 12.678 ( 0.000 1.054 0.000) 1.054 12.766 ( 0.000 -1.088 0.000) 1.088 12.798 ( 0.000 1.320 0.000) 1.320 12.978 ( 0.000 -5.245 0.000) 5.245 13.014 ( 0.000 -3.126 0.000) 3.126 13.069 ( 0.000 -9.875 0.000) 9.875 13.185 ( 0.000 -4.538 0.000) 4.538 13.208 ( 0.000 -16.407 0.000) 16.407 13.553 ( 0.000 -14.962 0.000) 14.962 13.786 ( 0.000 8.138 0.000) 8.138 14.257 ( 0.000 7.447 0.000) 7.447 14.782 ( 0.000 -6.678 0.000) 6.678 14.969 ( 0.000 -2.008 0.000) 2.008 15.012 ( 0.000 1.326 0.000) 1.326 15.212 ( 0.000 2.848 0.000) 2.848 15.635 ( 0.000 1.019 0.000) 1.019 15.729 ( 0.000 -0.276 0.000) 0.276 15.812 ( 0.000 -2.829 0.000) 2.829 15.862 ( 0.000 -0.375 0.000) 0.375 15.966 ( 0.000 -1.391 0.000) 1.391 16.118 ( 0.000 -0.429 0.000) 0.429 16.286 ( 0.000 -0.395 0.000) 0.395 16.407 ( 0.000 -0.532 0.000) 0.532 16.425 ( 0.000 0.089 0.000) 0.089 16.543 ( 0.000 -0.364 0.000) 0.364 16.589 ( 0.000 9.366 0.000) 9.366 16.866 ( 0.000 1.127 0.000) 1.127 16.920 ( 0.000 0.681 0.000) 0.681 17.020 ( 0.000 -0.655 0.000) 0.655 17.179 ( 0.000 2.464 0.000) 2.464 17.252 ( 0.000 -2.616 0.000) 2.616 17.298 ( 0.000 -1.362 0.000) 1.362 17.344 ( 0.000 4.001 0.000) 4.001 17.444 ( 0.000 4.131 0.000) 4.131 17.621 ( 0.000 -1.795 0.000) 1.795 17.633 ( 0.000 -6.133 0.000) 6.133 17.660 ( 0.000 2.549 0.000) 2.549 17.775 ( 0.000 -0.727 0.000) 0.727 17.841 ( 0.000 -1.114 0.000) 1.114 18.180 ( 0.000 1.681 0.000) 1.681 18.324 ( 0.000 -0.406 0.000) 0.406 18.499 ( 0.000 -1.696 0.000) 1.696 18.505 ( 0.000 -5.678 0.000) 5.678 18.649 ( 0.000 -0.188 0.000) 0.188 18.692 ( 0.000 4.006 0.000) 4.006 19.059 ( 0.000 5.227 0.000) 5.227 19.117 ( 0.000 -1.613 0.000) 1.613 19.182 ( 0.000 1.651 0.000) 1.651 19.283 ( 0.000 1.206 0.000) 1.206 19.479 ( 0.000 -0.088 0.000) 0.088 19.633 ( 0.000 -3.713 0.000) 3.713 27.205 ( 0.000 0.702 0.000) 0.702 27.245 ( 0.000 -0.154 0.000) 0.154 27.297 ( 0.000 -0.096 0.000) 0.096 27.309 ( 0.000 0.071 0.000) 0.071 27.667 ( 0.000 2.058 0.000) 2.058 27.781 ( 0.000 -0.765 0.000) 0.765 27.892 ( 0.000 -0.087 0.000) 0.087 28.125 ( 0.000 -1.604 0.000) 1.604 28.260 ( 0.000 2.034 0.000) 2.034 28.275 ( 0.000 0.569 0.000) 0.569 28.279 ( 0.000 -0.396 0.000) 0.396 28.700 ( 0.000 -1.217 0.000) 1.217 28.895 ( 0.000 -0.560 0.000) 0.560 28.968 ( 0.000 -0.981 0.000) 0.981 29.022 ( 0.000 -0.273 0.000) 0.273 29.159 ( 0.000 -0.490 0.000) 0.490 29.187 ( 0.000 -0.807 0.000) 0.807 29.225 ( 0.000 -0.809 0.000) 0.809 29.361 ( 0.000 0.871 0.000) 0.871 29.723 ( 0.000 0.946 0.000) 0.946 29.912 ( 0.000 1.633 0.000) 1.633 30.046 ( 0.000 2.108 0.000) 2.108 30.269 ( 0.000 -0.522 0.000) 0.522 30.327 ( 0.000 0.939 0.000) 0.939 30.375 ( 0.000 0.358 0.000) 0.358 30.844 ( 0.000 -3.065 0.000) 3.065 30.855 ( 0.000 0.098 0.000) 0.098 30.899 ( 0.000 -1.049 0.000) 1.049 31.321 ( 0.000 0.433 0.000) 0.433 31.390 ( 0.000 0.071 0.000) 0.071 31.430 ( 0.000 -5.678 0.000) 5.678 31.471 ( 0.000 -5.222 0.000) 5.222 31.750 ( 0.000 0.362 0.000) 0.362 31.751 ( 0.000 -2.324 0.000) 2.324 31.826 ( 0.000 0.704 0.000) 0.704 31.899 ( 0.000 5.556 0.000) 5.556 32.023 ( 0.000 5.903 0.000) 5.903 32.041 ( 0.000 4.913 0.000) 4.913 32.186 ( 0.000 -1.385 0.000) 1.385 32.336 ( 0.000 -0.106 0.000) 0.106 32.821 ( 0.000 0.585 0.000) 0.585 33.887 ( 0.000 0.051 0.000) 0.051 34.173 ( 0.000 -1.720 0.000) 1.720 35.009 ( 0.000 -0.414 0.000) 0.414 36.435 ( 0.000 0.036 0.000) 0.036 36.540 ( 0.000 0.114 0.000) 0.114 36.983 ( 0.000 -0.117 0.000) 0.117 37.001 ( 0.000 -0.687 0.000) 0.687 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 23.588 23.997 0.000) 33.649 1.253 ( 26.418 26.606 0.000) 37.494 1.711 ( 20.103 3.857 0.000) 20.469 1.894 ( 5.277 7.288 0.000) 8.998 2.034 ( 10.513 -5.761 0.000) 11.988 2.157 ( -11.880 5.104 0.000) 12.930 2.436 ( 0.099 0.291 0.000) 0.307 2.444 ( -7.925 -9.357 0.000) 12.262 2.575 ( -3.297 0.637 0.000) 3.358 2.758 ( -8.683 -9.586 0.000) 12.934 2.840 ( -8.832 7.044 0.000) 11.297 2.958 ( 0.469 -3.766 0.000) 3.795 3.020 ( -2.702 -2.062 0.000) 3.399 3.069 ( -0.891 5.288 0.000) 5.363 3.265 ( 6.184 -1.531 0.000) 6.370 3.308 ( 1.825 -1.931 0.000) 2.656 3.464 ( 7.125 -0.363 0.000) 7.134 3.558 ( 1.662 3.572 0.000) 3.940 3.700 ( -2.647 -5.397 0.000) 6.011 3.867 ( 0.088 -7.198 0.000) 7.198 3.924 ( 4.914 -7.820 0.000) 9.236 4.172 ( 9.868 1.361 0.000) 9.961 4.208 ( 4.717 2.510 0.000) 5.343 4.338 ( -2.413 -2.622 0.000) 3.563 4.370 ( 4.223 -1.964 0.000) 4.658 4.449 ( 9.129 17.357 0.000) 19.611 4.571 ( 8.997 6.602 0.000) 11.160 4.621 ( -5.995 -4.345 0.000) 7.403 4.730 ( -6.766 -6.462 0.000) 9.356 4.746 ( -2.069 2.035 0.000) 2.902 4.872 ( 0.966 -8.628 0.000) 8.682 4.904 ( 4.143 -0.430 0.000) 4.165 5.024 ( -1.969 -0.984 0.000) 2.201 5.128 ( 3.330 -0.275 0.000) 3.342 5.194 ( -13.219 10.268 0.000) 16.739 5.331 ( 1.548 2.922 0.000) 3.307 5.366 ( 6.773 -1.025 0.000) 6.850 5.462 ( -1.571 10.976 0.000) 11.088 5.501 ( 4.243 -2.063 0.000) 4.718 5.750 ( 2.105 -5.175 0.000) 5.587 5.827 ( 0.852 1.334 0.000) 1.583 5.852 ( -5.150 -10.328 0.000) 11.541 6.040 ( -3.779 -0.802 0.000) 3.863 6.123 ( 14.413 3.973 0.000) 14.950 6.236 ( 5.940 4.342 0.000) 7.358 6.322 ( 3.852 0.358 0.000) 3.868 6.431 ( -0.187 0.174 0.000) 0.255 6.551 ( -1.752 -0.512 0.000) 1.825 6.572 ( 10.397 0.392 0.000) 10.405 6.656 ( -10.661 2.322 0.000) 10.911 6.840 ( -2.319 1.007 0.000) 2.528 6.892 ( -1.727 1.980 0.000) 2.627 7.015 ( -0.208 -2.526 0.000) 2.535 7.068 ( 4.244 -3.651 0.000) 5.598 7.225 ( -2.585 -3.735 0.000) 4.542 7.436 ( -3.641 1.236 0.000) 3.846 7.502 ( 1.028 -3.381 0.000) 3.534 7.535 ( -7.362 -11.123 0.000) 13.339 7.625 ( -0.133 0.662 0.000) 0.676 7.689 ( -2.114 -4.401 0.000) 4.882 7.800 ( -2.303 3.369 0.000) 4.081 7.829 ( -6.364 2.340 0.000) 6.781 7.921 ( -5.788 1.535 0.000) 5.988 7.976 ( -10.989 -3.823 0.000) 11.635 8.069 ( -3.208 1.994 0.000) 3.777 8.076 ( 2.951 -6.857 0.000) 7.465 8.194 ( -2.823 1.090 0.000) 3.026 8.283 ( -7.072 0.922 0.000) 7.132 8.332 ( 1.578 -2.003 0.000) 2.550 8.424 ( -3.558 1.092 0.000) 3.722 8.485 ( 1.591 2.176 0.000) 2.695 8.546 ( -0.080 3.144 0.000) 3.145 8.607 ( 2.663 4.033 0.000) 4.833 8.731 ( 0.566 3.309 0.000) 3.357 8.755 ( -0.085 0.814 0.000) 0.818 8.806 ( -3.352 -1.414 0.000) 3.638 8.955 ( 3.711 3.521 0.000) 5.116 8.991 ( 3.935 2.661 0.000) 4.750 9.058 ( -3.075 4.690 0.000) 5.608 9.174 ( 4.011 1.769 0.000) 4.384 9.245 ( -7.215 -0.973 0.000) 7.280 9.351 ( -2.778 1.558 0.000) 3.186 9.449 ( -6.843 0.879 0.000) 6.899 9.514 ( -6.291 1.747 0.000) 6.529 9.553 ( 0.959 -2.067 0.000) 2.278 9.613 ( 3.373 0.433 0.000) 3.400 9.678 ( 1.718 8.037 0.000) 8.218 9.743 ( 3.016 -0.684 0.000) 3.093 9.828 ( 2.443 -2.867 0.000) 3.766 9.903 ( -0.588 1.775 0.000) 1.870 9.993 ( -0.199 2.359 0.000) 2.367 10.049 ( 2.847 3.733 0.000) 4.695 10.062 ( 5.197 4.586 0.000) 6.932 10.154 ( 7.843 1.095 0.000) 7.919 10.241 ( 4.050 1.959 0.000) 4.499 10.296 ( -0.911 -1.577 0.000) 1.821 10.389 ( -0.584 -1.559 0.000) 1.665 10.557 ( -1.291 0.176 0.000) 1.303 10.653 ( 1.358 -4.676 0.000) 4.869 10.771 ( 3.158 -5.698 0.000) 6.514 10.906 ( 3.585 -2.936 0.000) 4.634 10.909 ( -2.082 -3.251 0.000) 3.861 11.145 ( -3.552 1.114 0.000) 3.723 11.182 ( 3.148 -2.964 0.000) 4.324 11.288 ( 0.908 3.191 0.000) 3.318 11.358 ( -0.018 2.963 0.000) 2.963 11.539 ( -1.360 6.162 0.000) 6.310 11.797 ( -1.944 -3.064 0.000) 3.629 11.977 ( 3.626 -2.714 0.000) 4.529 12.039 ( 2.693 -1.393 0.000) 3.032 12.148 ( -5.047 11.383 0.000) 12.452 12.256 ( -6.451 2.477 0.000) 6.910 12.360 ( 3.027 9.703 0.000) 10.164 12.473 ( -4.009 4.172 0.000) 5.786 12.588 ( 3.756 -1.886 0.000) 4.203 12.602 ( 0.101 -0.655 0.000) 0.663 12.673 ( -1.478 1.753 0.000) 2.293 12.705 ( 0.972 1.816 0.000) 2.060 12.767 ( 1.938 -2.289 0.000) 3.000 12.877 ( -1.516 -4.845 0.000) 5.077 12.918 ( 3.019 -0.155 0.000) 3.023 12.979 ( -4.657 -2.252 0.000) 5.173 13.079 ( -1.793 -5.976 0.000) 6.239 13.203 ( 0.648 -11.280 0.000) 11.298 13.286 ( 5.180 -12.226 0.000) 13.278 13.512 ( -2.735 -10.124 0.000) 10.487 13.785 ( -1.685 -4.986 0.000) 5.263 14.197 ( -7.993 -0.699 0.000) 8.023 14.742 ( -2.081 -5.825 0.000) 6.185 14.891 ( -3.074 -1.008 0.000) 3.235 15.078 ( 1.653 2.491 0.000) 2.990 15.296 ( 2.503 3.523 0.000) 4.322 15.651 ( 2.715 -1.140 0.000) 2.945 15.686 ( 0.893 0.476 0.000) 1.012 15.770 ( 0.502 0.094 0.000) 0.511 15.958 ( 2.678 -2.500 0.000) 3.664 16.062 ( 11.840 -1.693 0.000) 11.960 16.153 ( 2.226 -1.007 0.000) 2.443 16.334 ( 3.181 3.036 0.000) 4.398 16.411 ( -0.950 0.683 0.000) 1.170 16.473 ( 4.021 -0.427 0.000) 4.044 16.566 ( 3.153 -1.288 0.000) 3.405 16.632 ( 1.678 6.424 0.000) 6.640 16.798 ( -1.680 -0.037 0.000) 1.681 16.977 ( 2.534 0.885 0.000) 2.684 17.021 ( 0.785 -1.135 0.000) 1.380 17.177 ( -3.185 -1.203 0.000) 3.405 17.192 ( -1.490 1.518 0.000) 2.127 17.283 ( -2.454 0.530 0.000) 2.511 17.365 ( 0.322 1.747 0.000) 1.776 17.438 ( -0.077 2.459 0.000) 2.460 17.576 ( -6.563 3.733 0.000) 7.551 17.617 ( -2.810 -3.177 0.000) 4.241 17.633 ( -0.467 -5.432 0.000) 5.452 17.702 ( -0.582 2.618 0.000) 2.682 17.877 ( 1.702 -0.290 0.000) 1.726 18.244 ( 5.410 1.511 0.000) 5.617 18.343 ( 1.957 -0.280 0.000) 1.977 18.493 ( 0.825 1.907 0.000) 2.078 18.581 ( -2.467 9.420 0.000) 9.738 18.596 ( 5.688 -3.343 0.000) 6.598 18.699 ( 0.387 3.547 0.000) 3.568 18.976 ( -3.774 1.179 0.000) 3.954 19.090 ( -4.728 0.071 0.000) 4.729 19.159 ( -0.801 0.550 0.000) 0.972 19.208 ( -3.991 -0.460 0.000) 4.018 19.446 ( -3.109 0.193 0.000) 3.115 19.566 ( -5.897 -2.908 0.000) 6.575 27.210 ( 0.988 -0.353 0.000) 1.049 27.269 ( 1.372 -1.104 0.000) 1.761 27.320 ( 1.421 0.546 0.000) 1.522 27.410 ( 6.025 -4.622 0.000) 7.594 27.675 ( 0.767 2.231 0.000) 2.359 27.761 ( -2.064 1.666 0.000) 2.653 27.848 ( -1.828 -1.443 0.000) 2.329 28.054 ( -6.110 0.544 0.000) 6.134 28.208 ( -0.879 0.174 0.000) 0.896 28.331 ( 4.076 0.804 0.000) 4.154 28.364 ( 4.387 0.904 0.000) 4.479 28.648 ( -5.259 -0.104 0.000) 5.260 28.853 ( -1.014 -0.788 0.000) 1.284 28.980 ( 0.312 -0.161 0.000) 0.351 29.039 ( -0.554 -0.424 0.000) 0.698 29.107 ( 2.950 -0.458 0.000) 2.985 29.194 ( -2.238 2.027 0.000) 3.020 29.342 ( -2.135 -0.197 0.000) 2.144 29.369 ( 6.851 -2.334 0.000) 7.237 29.517 ( -12.348 4.183 0.000) 13.038 29.886 ( -2.610 7.443 0.000) 7.887 29.914 ( -0.198 2.004 0.000) 2.014 30.301 ( 1.029 0.719 0.000) 1.255 30.338 ( 0.168 -0.042 0.000) 0.173 30.445 ( 2.320 -4.173 0.000) 4.775 30.797 ( -4.321 -2.974 0.000) 5.245 30.932 ( 3.879 -0.893 0.000) 3.981 31.039 ( 9.579 -4.147 0.000) 10.438 31.303 ( -2.376 -0.228 0.000) 2.387 31.320 ( -5.179 -0.729 0.000) 5.230 31.380 ( -1.137 0.539 0.000) 1.258 31.449 ( -1.442 -4.272 0.000) 4.509 31.724 ( -0.838 -1.036 0.000) 1.333 31.754 ( -1.057 -1.857 0.000) 2.136 31.846 ( 0.555 3.722 0.000) 3.763 31.881 ( 1.274 3.335 0.000) 3.570 32.001 ( -1.825 6.584 0.000) 6.833 32.039 ( -0.484 4.779 0.000) 4.803 32.167 ( -4.452 -0.914 0.000) 4.545 32.313 ( -2.440 -0.058 0.000) 2.441 33.244 ( 25.636 -12.997 0.000) 28.742 33.894 ( 0.719 -0.046 0.000) 0.721 34.276 ( 10.146 -1.755 0.000) 10.297 35.196 ( 9.872 -10.695 0.000) 14.555 36.316 ( -13.171 8.865 0.000) 15.876 36.475 ( 3.390 -1.081 0.000) 3.558 36.948 ( -4.050 -0.710 0.000) 4.112 36.976 ( -2.438 -1.034 0.000) 2.648 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -9.348 -2.555 0.000) 9.691 1.466 ( -25.839 -10.288 0.000) 27.812 1.739 ( 24.216 -2.252 0.000) 24.320 1.931 ( 14.131 2.245 0.000) 14.309 2.133 ( -16.820 4.808 0.000) 17.493 2.210 ( 11.507 3.997 0.000) 12.181 2.493 ( 0.563 -7.180 0.000) 7.202 2.516 ( 5.058 -4.738 0.000) 6.930 2.547 ( 0.185 1.234 0.000) 1.248 2.660 ( 1.805 7.680 0.000) 7.889 2.845 ( -6.504 0.257 0.000) 6.509 2.882 ( 9.101 -0.951 0.000) 9.150 3.034 ( 9.301 -1.281 0.000) 9.388 3.183 ( -4.026 -5.357 0.000) 6.701 3.316 ( 2.408 -4.330 0.000) 4.954 3.382 ( 6.921 5.006 0.000) 8.542 3.434 ( 8.205 -11.697 0.000) 14.288 3.665 ( 0.214 4.246 0.000) 4.252 3.772 ( 14.635 12.966 0.000) 19.553 3.923 ( -10.577 -5.487 0.000) 11.916 4.080 ( 14.473 3.425 0.000) 14.873 4.140 ( -2.218 -0.735 0.000) 2.337 4.219 ( -17.169 3.427 0.000) 17.508 4.308 ( 5.603 9.636 0.000) 11.146 4.361 ( -5.381 4.060 0.000) 6.741 4.437 ( -1.372 -7.679 0.000) 7.801 4.625 ( -7.266 7.965 0.000) 10.781 4.652 ( 1.761 -0.405 0.000) 1.807 4.702 ( -1.712 7.720 0.000) 7.908 4.763 ( 2.519 1.857 0.000) 3.130 4.822 ( -4.951 0.607 0.000) 4.988 4.981 ( 8.881 -3.884 0.000) 9.693 5.085 ( 18.068 5.529 0.000) 18.895 5.119 ( 10.111 -0.762 0.000) 10.140 5.300 ( 8.567 0.237 0.000) 8.571 5.422 ( -4.116 4.085 0.000) 5.799 5.467 ( 7.312 -0.021 0.000) 7.312 5.500 ( 3.237 -5.247 0.000) 6.166 5.552 ( -2.058 -1.507 0.000) 2.551 5.654 ( -5.009 -9.125 0.000) 10.410 5.784 ( -3.534 2.973 0.000) 4.618 5.938 ( -4.533 -1.863 0.000) 4.901 6.003 ( 19.365 -6.662 0.000) 20.479 6.264 ( -4.086 -0.506 0.000) 4.118 6.270 ( -5.627 -3.117 0.000) 6.432 6.346 ( -12.181 -0.038 0.000) 12.182 6.475 ( 1.597 3.147 0.000) 3.529 6.548 ( 10.602 2.927 0.000) 10.998 6.610 ( 15.337 -0.044 0.000) 15.337 6.679 ( -1.129 -0.154 0.000) 1.140 6.793 ( -5.225 10.412 0.000) 11.649 6.827 ( -2.081 0.268 0.000) 2.099 6.996 ( -7.651 -0.895 0.000) 7.703 7.048 ( -4.211 -0.216 0.000) 4.217 7.218 ( -0.680 -9.276 0.000) 9.301 7.341 ( -4.507 1.920 0.000) 4.899 7.430 ( 2.774 -8.534 0.000) 8.974 7.471 ( -3.982 -3.990 0.000) 5.637 7.571 ( -7.359 6.094 0.000) 9.554 7.596 ( -3.531 -3.869 0.000) 5.238 7.723 ( -5.026 -3.750 0.000) 6.271 7.781 ( -1.655 1.781 0.000) 2.432 7.808 ( -3.244 -5.737 0.000) 6.591 7.850 ( -1.366 -0.201 0.000) 1.381 8.063 ( -1.279 -2.950 0.000) 3.215 8.131 ( 1.201 2.357 0.000) 2.645 8.158 ( 1.611 1.522 0.000) 2.216 8.223 ( 0.380 -0.413 0.000) 0.561 8.334 ( -8.267 -0.768 0.000) 8.303 8.367 ( -0.005 -2.016 0.000) 2.016 8.416 ( 0.329 -0.643 0.000) 0.722 8.443 ( -4.622 0.001 0.000) 4.622 8.665 ( -0.521 2.649 0.000) 2.700 8.714 ( -4.172 -0.125 0.000) 4.174 8.754 ( -0.999 -1.300 0.000) 1.639 8.811 ( 4.024 4.303 0.000) 5.891 8.878 ( -9.514 3.074 0.000) 9.998 8.960 ( -3.683 -0.680 0.000) 3.745 9.046 ( -2.041 -0.887 0.000) 2.225 9.150 ( 2.442 -4.075 0.000) 4.751 9.231 ( -5.244 9.039 0.000) 10.450 9.318 ( 3.782 6.063 0.000) 7.146 9.376 ( 1.440 3.348 0.000) 3.645 9.469 ( -1.267 4.380 0.000) 4.560 9.586 ( 1.642 -0.676 0.000) 1.776 9.605 ( 0.225 -1.361 0.000) 1.379 9.714 ( -5.537 5.898 0.000) 8.090 9.735 ( 1.445 3.466 0.000) 3.756 9.900 ( 1.915 4.285 0.000) 4.693 9.941 ( 6.605 2.403 0.000) 7.028 9.991 ( 0.512 5.681 0.000) 5.704 10.118 ( 3.000 5.298 0.000) 6.089 10.152 ( 1.222 0.247 0.000) 1.247 10.236 ( -0.423 -1.518 0.000) 1.576 10.253 ( 2.430 5.090 0.000) 5.640 10.366 ( 5.001 -2.400 0.000) 5.547 10.415 ( 2.166 2.218 0.000) 3.100 10.597 ( 2.481 -4.184 0.000) 4.864 10.685 ( 1.167 -1.893 0.000) 2.224 10.757 ( 3.081 2.537 0.000) 3.991 10.876 ( -1.356 -5.530 0.000) 5.693 11.043 ( -2.593 -0.844 0.000) 2.727 11.056 ( 3.192 -4.861 0.000) 5.815 11.174 ( -2.035 -2.710 0.000) 3.389 11.325 ( 0.561 0.860 0.000) 1.027 11.375 ( 0.806 1.061 0.000) 1.333 11.538 ( 3.050 8.288 0.000) 8.831 11.757 ( -3.308 0.190 0.000) 3.314 12.014 ( 0.210 -0.148 0.000) 0.257 12.089 ( -0.546 -2.972 0.000) 3.021 12.124 ( 4.312 1.807 0.000) 4.675 12.176 ( 0.119 4.188 0.000) 4.190 12.361 ( -3.276 6.613 0.000) 7.380 12.399 ( -3.903 1.809 0.000) 4.302 12.582 ( 0.168 -0.623 0.000) 0.645 12.650 ( -0.403 1.788 0.000) 1.833 12.674 ( 2.608 -1.373 0.000) 2.948 12.726 ( 1.262 -0.228 0.000) 1.282 12.787 ( -0.599 -3.964 0.000) 4.009 12.822 ( -4.341 -1.448 0.000) 4.576 12.918 ( 0.724 -2.981 0.000) 3.067 12.940 ( -1.906 -4.811 0.000) 5.175 13.044 ( -0.497 2.883 0.000) 2.925 13.170 ( -4.829 -8.945 0.000) 10.165 13.357 ( 2.173 -4.544 0.000) 5.037 13.428 ( -4.722 -0.893 0.000) 4.806 13.794 ( 3.184 -16.617 0.000) 16.919 14.003 ( -9.109 -9.943 0.000) 13.485 14.731 ( 0.839 -5.094 0.000) 5.163 14.830 ( -3.353 -1.945 0.000) 3.876 15.108 ( 2.150 2.278 0.000) 3.133 15.257 ( -4.569 4.563 0.000) 6.457 15.731 ( 5.392 3.221 0.000) 6.281 15.772 ( 5.486 1.655 0.000) 5.730 15.851 ( 6.215 0.189 0.000) 6.217 16.024 ( 1.565 -1.682 0.000) 2.297 16.193 ( 2.753 -1.473 0.000) 3.122 16.242 ( 5.253 -2.889 0.000) 5.995 16.387 ( -1.811 1.003 0.000) 2.070 16.425 ( 1.333 3.629 0.000) 3.866 16.500 ( 1.210 0.964 0.000) 1.547 16.544 ( 2.850 -0.347 0.000) 2.871 16.729 ( 5.194 -2.750 0.000) 5.877 16.883 ( 6.075 0.130 0.000) 6.076 16.929 ( -4.418 -1.505 0.000) 4.667 17.064 ( 0.751 2.718 0.000) 2.820 17.115 ( -1.732 1.735 0.000) 2.451 17.171 ( -2.352 3.758 0.000) 4.433 17.209 ( -3.619 1.197 0.000) 3.812 17.314 ( -4.209 0.966 0.000) 4.318 17.447 ( 0.014 -0.170 0.000) 0.171 17.482 ( -3.697 1.155 0.000) 3.873 17.553 ( -0.538 -2.373 0.000) 2.433 17.617 ( -1.247 -5.701 0.000) 5.835 17.762 ( 4.499 0.096 0.000) 4.500 17.886 ( -0.914 0.565 0.000) 1.074 18.321 ( 2.309 1.231 0.000) 2.617 18.423 ( 3.181 4.093 0.000) 5.184 18.465 ( 0.653 8.305 0.000) 8.330 18.642 ( 6.657 -1.630 0.000) 6.854 18.668 ( -0.708 0.443 0.000) 0.835 18.754 ( 6.475 0.142 0.000) 6.476 18.931 ( -2.020 -2.739 0.000) 3.403 18.961 ( -7.913 0.803 0.000) 7.954 19.133 ( -2.613 -0.973 0.000) 2.788 19.149 ( -1.173 0.102 0.000) 1.177 19.381 ( -2.715 0.605 0.000) 2.782 19.449 ( -5.423 -1.114 0.000) 5.536 27.248 ( 2.652 -0.720 0.000) 2.748 27.292 ( 0.831 -0.256 0.000) 0.869 27.351 ( 1.647 1.250 0.000) 2.067 27.449 ( -1.567 -2.376 0.000) 2.846 27.691 ( 0.837 2.502 0.000) 2.638 27.726 ( -1.125 2.640 0.000) 2.870 27.845 ( 1.222 -3.139 0.000) 3.368 27.953 ( -4.144 0.225 0.000) 4.150 28.223 ( 2.447 -1.753 0.000) 3.010 28.370 ( -1.508 -1.971 0.000) 2.482 28.434 ( 3.394 2.213 0.000) 4.052 28.551 ( -3.628 1.738 0.000) 4.023 28.863 ( 1.648 -0.532 0.000) 1.732 28.967 ( -1.646 2.583 0.000) 3.062 29.040 ( 0.340 -0.699 0.000) 0.778 29.106 ( -5.017 1.818 0.000) 5.336 29.188 ( 3.992 -1.215 0.000) 4.173 29.293 ( -2.008 -2.979 0.000) 3.593 29.412 ( -0.819 1.719 0.000) 1.904 29.434 ( 0.461 0.538 0.000) 0.708 29.872 ( 0.416 4.838 0.000) 4.856 29.909 ( -0.540 2.490 0.000) 2.548 30.323 ( 1.185 0.360 0.000) 1.239 30.341 ( 0.115 0.123 0.000) 0.168 30.483 ( 2.365 -2.797 0.000) 3.663 30.681 ( -6.955 -2.041 0.000) 7.248 31.036 ( 6.230 -3.256 0.000) 7.030 31.158 ( 2.561 -3.736 0.000) 4.530 31.247 ( -1.013 -2.349 0.000) 2.558 31.277 ( -1.052 -1.284 0.000) 1.660 31.363 ( -0.818 0.657 0.000) 1.049 31.408 ( -2.757 -1.909 0.000) 3.354 31.718 ( 0.156 -1.202 0.000) 1.213 31.740 ( 0.180 -0.401 0.000) 0.439 31.837 ( -1.231 4.170 0.000) 4.348 31.890 ( -1.953 0.402 0.000) 1.993 31.982 ( 0.048 5.572 0.000) 5.572 32.047 ( 1.956 2.840 0.000) 3.449 32.067 ( -3.745 3.813 0.000) 5.345 32.243 ( -4.656 1.207 0.000) 4.810 33.631 ( 14.824 -5.698 0.000) 15.882 33.899 ( -0.848 -0.537 0.000) 1.004 34.537 ( 15.992 -1.670 0.000) 16.079 35.176 ( -11.332 -4.952 0.000) 12.367 36.246 ( 5.637 3.494 0.000) 6.632 36.523 ( -0.129 -1.631 0.000) 1.636 36.851 ( -4.384 -0.922 0.000) 4.480 36.912 ( -3.999 -1.692 0.000) 4.342 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -3.889 -22.792 0.000) 23.121 1.176 ( 3.889 -22.792 0.000) 23.121 1.939 ( -2.493 -3.935 0.000) 4.659 1.939 ( 2.493 -3.935 0.000) 4.659 2.254 ( -9.449 6.705 0.000) 11.586 2.254 ( 9.449 6.705 0.000) 11.586 2.489 ( -0.191 1.708 0.000) 1.719 2.489 ( 0.191 1.708 0.000) 1.719 2.604 ( -5.770 -0.280 0.000) 5.777 2.604 ( 5.770 -0.280 0.000) 5.777 2.932 ( -8.409 5.043 0.000) 9.805 2.932 ( 8.409 5.043 0.000) 9.805 3.168 ( -0.584 -3.544 0.000) 3.592 3.168 ( 0.584 -3.544 0.000) 3.592 3.378 ( -6.093 4.710 0.000) 7.701 3.378 ( 6.093 4.710 0.000) 7.701 3.607 ( -9.602 -2.048 0.000) 9.818 3.607 ( 9.602 -2.048 0.000) 9.818 3.794 ( -9.257 1.642 0.000) 9.402 3.794 ( 9.257 1.642 0.000) 9.402 4.108 ( -3.839 4.099 0.000) 5.616 4.108 ( 3.839 4.099 0.000) 5.616 4.252 ( -1.557 0.714 0.000) 1.713 4.252 ( 1.557 0.714 0.000) 1.713 4.425 ( -0.557 -6.093 0.000) 6.119 4.425 ( 0.557 -6.093 0.000) 6.119 4.552 ( -2.717 0.407 0.000) 2.747 4.552 ( 2.717 0.407 0.000) 2.747 4.811 ( -0.704 6.504 0.000) 6.542 4.811 ( 0.704 6.504 0.000) 6.542 4.916 ( -3.397 2.731 0.000) 4.359 4.916 ( 3.397 2.731 0.000) 4.359 5.240 ( -2.352 -10.107 0.000) 10.377 5.240 ( 2.352 -10.107 0.000) 10.377 5.483 ( -0.116 -5.577 0.000) 5.578 5.483 ( 0.116 -5.577 0.000) 5.578 5.506 ( -0.527 0.129 0.000) 0.543 5.506 ( 0.527 0.129 0.000) 0.543 5.571 ( -6.379 7.251 0.000) 9.657 5.571 ( 6.379 7.251 0.000) 9.657 5.795 ( -8.507 5.874 0.000) 10.337 5.795 ( 8.507 5.874 0.000) 10.337 6.061 ( -7.774 6.466 0.000) 10.111 6.061 ( 7.774 6.466 0.000) 10.111 6.392 ( -2.860 -0.477 0.000) 2.900 6.392 ( 2.860 -0.477 0.000) 2.900 6.563 ( -11.447 -6.959 0.000) 13.397 6.563 ( 11.447 -6.959 0.000) 13.397 6.648 ( -1.467 -1.783 0.000) 2.309 6.648 ( 1.467 -1.783 0.000) 2.309 6.767 ( -4.025 3.733 0.000) 5.490 6.767 ( 4.025 3.733 0.000) 5.490 6.992 ( -8.314 2.907 0.000) 8.807 6.992 ( 8.314 2.907 0.000) 8.807 7.224 ( -2.018 -7.266 0.000) 7.541 7.224 ( 2.018 -7.266 0.000) 7.541 7.467 ( -1.630 -2.650 0.000) 3.111 7.467 ( 1.630 -2.650 0.000) 3.111 7.524 ( -0.183 5.729 0.000) 5.732 7.524 ( 0.183 5.729 0.000) 5.732 7.699 ( -1.042 -1.993 0.000) 2.249 7.699 ( 1.042 -1.993 0.000) 2.249 7.812 ( -2.587 -6.556 0.000) 7.048 7.812 ( 2.587 -6.556 0.000) 7.048 8.047 ( -2.146 -1.987 0.000) 2.925 8.047 ( 2.146 -1.987 0.000) 2.925 8.246 ( -0.387 -1.263 0.000) 1.321 8.246 ( 0.387 -1.263 0.000) 1.321 8.303 ( -0.371 -2.516 0.000) 2.544 8.303 ( 0.371 -2.516 0.000) 2.544 8.465 ( -1.028 1.552 0.000) 1.861 8.465 ( 1.028 1.552 0.000) 1.861 8.611 ( -2.678 0.670 0.000) 2.760 8.611 ( 2.678 0.670 0.000) 2.760 8.746 ( -0.038 -1.779 0.000) 1.779 8.746 ( 0.038 -1.779 0.000) 1.779 8.887 ( -2.244 1.359 0.000) 2.623 8.887 ( 2.244 1.359 0.000) 2.623 9.081 ( -5.343 3.136 0.000) 6.195 9.081 ( 5.343 3.136 0.000) 6.195 9.298 ( -8.038 -1.676 0.000) 8.210 9.298 ( 8.038 -1.676 0.000) 8.210 9.424 ( -3.088 4.436 0.000) 5.404 9.424 ( 3.088 4.436 0.000) 5.404 9.603 ( -0.433 9.553 0.000) 9.563 9.603 ( 0.433 9.553 0.000) 9.563 9.709 ( -4.298 -0.100 0.000) 4.300 9.709 ( 4.298 -0.100 0.000) 4.300 9.940 ( -1.360 5.763 0.000) 5.921 9.940 ( 1.360 5.763 0.000) 5.921 10.094 ( -3.288 4.109 0.000) 5.263 10.094 ( 3.288 4.109 0.000) 5.263 10.186 ( -1.883 5.248 0.000) 5.576 10.186 ( 1.883 5.248 0.000) 5.576 10.344 ( -2.522 -0.286 0.000) 2.538 10.344 ( 2.522 -0.286 0.000) 2.538 10.522 ( -5.605 -3.336 0.000) 6.523 10.522 ( 5.605 -3.336 0.000) 6.523 10.797 ( -2.587 -2.499 0.000) 3.597 10.797 ( 2.587 -2.499 0.000) 3.597 10.901 ( -6.226 2.336 0.000) 6.650 10.901 ( 6.226 2.336 0.000) 6.650 11.138 ( -0.569 -5.327 0.000) 5.357 11.138 ( 0.569 -5.327 0.000) 5.357 11.346 ( -0.873 1.048 0.000) 1.364 11.346 ( 0.873 1.048 0.000) 1.364 11.653 ( -6.451 5.427 0.000) 8.430 11.653 ( 6.451 5.427 0.000) 8.430 12.039 ( -1.879 -2.164 0.000) 2.866 12.039 ( 1.879 -2.164 0.000) 2.866 12.215 ( -0.225 2.116 0.000) 2.127 12.215 ( 0.225 2.116 0.000) 2.127 12.313 ( -0.458 1.514 0.000) 1.582 12.313 ( 0.458 1.514 0.000) 1.582 12.618 ( -2.402 0.339 0.000) 2.425 12.618 ( 2.402 0.339 0.000) 2.425 12.720 ( -0.865 -2.258 0.000) 2.418 12.720 ( 0.865 -2.258 0.000) 2.418 12.769 ( -0.932 0.009 0.000) 0.932 12.769 ( 0.932 0.009 0.000) 0.932 12.928 ( -0.115 -3.358 0.000) 3.360 12.928 ( 0.115 -3.358 0.000) 3.360 13.069 ( -2.552 -1.138 0.000) 2.794 13.069 ( 2.552 -1.138 0.000) 2.794 13.378 ( -0.028 -0.881 0.000) 0.882 13.378 ( 0.028 -0.881 0.000) 0.882 13.876 ( -4.778 -17.135 0.000) 17.788 13.876 ( 4.778 -17.135 0.000) 17.788 14.768 ( -1.755 -3.689 0.000) 4.086 14.768 ( 1.755 -3.689 0.000) 4.086 15.169 ( -4.051 3.218 0.000) 5.173 15.169 ( 4.051 3.218 0.000) 5.173 15.816 ( -0.225 5.146 0.000) 5.151 15.816 ( 0.225 5.146 0.000) 5.151 15.975 ( -5.388 -0.925 0.000) 5.467 15.975 ( 5.388 -0.925 0.000) 5.467 16.265 ( -2.578 -1.193 0.000) 2.841 16.265 ( 2.578 -1.193 0.000) 2.841 16.358 ( -0.044 0.781 0.000) 0.783 16.358 ( 0.044 0.781 0.000) 0.783 16.616 ( -1.988 0.185 0.000) 1.997 16.616 ( 1.988 0.185 0.000) 1.997 16.785 ( -4.646 -5.998 0.000) 7.587 16.785 ( 4.646 -5.998 0.000) 7.587 17.050 ( -6.693 3.875 0.000) 7.734 17.050 ( 6.693 3.875 0.000) 7.734 17.078 ( -0.265 4.998 0.000) 5.006 17.078 ( 0.265 4.998 0.000) 5.006 17.234 ( -1.597 0.116 0.000) 1.601 17.234 ( 1.597 0.116 0.000) 1.601 17.442 ( -0.006 -0.387 0.000) 0.387 17.442 ( 0.006 -0.387 0.000) 0.387 17.582 ( -1.531 -4.557 0.000) 4.807 17.582 ( 1.531 -4.557 0.000) 4.807 17.842 ( -1.618 0.240 0.000) 1.636 17.842 ( 1.618 0.240 0.000) 1.636 18.373 ( -0.639 4.089 0.000) 4.138 18.373 ( 0.639 4.089 0.000) 4.138 18.589 ( -4.617 2.152 0.000) 5.094 18.589 ( 4.617 2.152 0.000) 5.094 18.799 ( -8.107 -0.612 0.000) 8.130 18.799 ( 8.107 -0.612 0.000) 8.130 18.868 ( -2.319 -1.836 0.000) 2.957 18.868 ( 2.319 -1.836 0.000) 2.957 19.122 ( -0.386 0.133 0.000) 0.408 19.122 ( 0.386 0.133 0.000) 0.408 19.372 ( -1.112 0.219 0.000) 1.134 19.372 ( 1.112 0.219 0.000) 1.134 27.291 ( -0.277 -0.299 0.000) 0.407 27.291 ( 0.277 -0.299 0.000) 0.407 27.393 ( -3.002 0.491 0.000) 3.041 27.393 ( 3.002 0.491 0.000) 3.041 27.708 ( -0.200 2.077 0.000) 2.086 27.708 ( 0.200 2.077 0.000) 2.086 27.886 ( -1.871 -1.634 0.000) 2.484 27.886 ( 1.871 -1.634 0.000) 2.484 28.296 ( -3.880 -2.964 0.000) 4.883 28.296 ( 3.880 -2.964 0.000) 4.883 28.496 ( -2.588 2.825 0.000) 3.832 28.496 ( 2.588 2.825 0.000) 3.832 28.913 ( -2.085 1.715 0.000) 2.699 28.913 ( 2.085 1.715 0.000) 2.699 29.048 ( -1.012 -0.280 0.000) 1.050 29.048 ( 1.012 -0.280 0.000) 1.050 29.254 ( -1.723 -2.430 0.000) 2.979 29.254 ( 1.723 -2.430 0.000) 2.979 29.421 ( -1.056 1.370 0.000) 1.730 29.421 ( 1.056 1.370 0.000) 1.730 29.891 ( -0.917 3.449 0.000) 3.569 29.891 ( 0.917 3.449 0.000) 3.569 30.340 ( -0.373 0.265 0.000) 0.458 30.340 ( 0.373 0.265 0.000) 0.458 30.556 ( -5.126 -2.100 0.000) 5.540 30.556 ( 5.126 -2.100 0.000) 5.540 31.140 ( -3.363 -4.152 0.000) 5.343 31.140 ( 3.363 -4.152 0.000) 5.343 31.260 ( -0.774 -3.794 0.000) 3.872 31.260 ( 0.774 -3.794 0.000) 3.872 31.361 ( -0.550 1.342 0.000) 1.450 31.361 ( 0.550 1.342 0.000) 1.450 31.736 ( -0.779 0.145 0.000) 0.792 31.736 ( 0.779 0.145 0.000) 0.792 31.836 ( -1.076 1.145 0.000) 1.572 31.836 ( 1.076 1.145 0.000) 1.572 32.001 ( -0.563 4.212 0.000) 4.250 32.001 ( 0.563 4.212 0.000) 4.250 32.141 ( -5.310 3.108 0.000) 6.152 32.141 ( 5.310 3.108 0.000) 6.152 33.835 ( -6.401 -1.879 0.000) 6.671 33.835 ( 6.401 -1.879 0.000) 6.671 34.871 ( -17.726 -1.785 0.000) 17.816 34.871 ( 17.726 -1.785 0.000) 17.816 36.421 ( -9.479 0.240 0.000) 9.482 36.421 ( 9.479 0.240 0.000) 9.482 36.838 ( -2.695 -1.998 0.000) 3.355 36.838 ( 2.695 -1.998 0.000) 3.355 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 -0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 -0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 -0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 -0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 -0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 -0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 -0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 -0.000 0.000) 0.000 5.708 ( 0.000 -0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 -0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.741 ( 0.000 -0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.937 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 -0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 -0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 9.903 ( 0.000 -0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 -0.000 0.000) 0.000 10.351 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 0.000) 0.000 10.602 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 11.980 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 -0.000 0.000) 0.000 12.540 ( 0.000 -0.000 0.000) 0.000 12.591 ( 0.000 0.000 0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.830 ( 0.000 -0.000 0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.075 ( 0.000 0.000 0.000) 0.000 13.143 ( 0.000 0.000 0.000) 0.000 13.345 ( 0.000 -0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 14.952 ( 0.000 0.000 0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.647 ( 0.000 0.000 0.000) 0.000 15.730 ( 0.000 0.000 0.000) 0.000 15.779 ( 0.000 0.000 0.000) 0.000 15.855 ( 0.000 0.000 0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.112 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 0.000) 0.000 16.399 ( 0.000 0.000 0.000) 0.000 16.440 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 16.688 ( 0.000 0.000 0.000) 0.000 16.881 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 17.013 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.229 ( 0.000 0.000 0.000) 0.000 17.261 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.506 ( 0.000 0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.590 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 17.817 ( 0.000 0.000 0.000) 0.000 18.223 ( 0.000 0.000 0.000) 0.000 18.316 ( 0.000 0.000 0.000) 0.000 18.415 ( 0.000 0.000 0.000) 0.000 18.479 ( 0.000 0.000 0.000) 0.000 18.641 ( 0.000 0.000 0.000) 0.000 18.745 ( 0.000 0.000 0.000) 0.000 19.094 ( 0.000 0.000 0.000) 0.000 19.123 ( 0.000 0.000 0.000) 0.000 19.201 ( 0.000 0.000 0.000) 0.000 19.316 ( 0.000 0.000 0.000) 0.000 19.478 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 27.214 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 0.000) 0.000 27.295 ( 0.000 0.000 0.000) 0.000 27.310 ( 0.000 0.000 0.000) 0.000 27.696 ( 0.000 0.000 0.000) 0.000 27.773 ( 0.000 0.000 0.000) 0.000 27.888 ( 0.000 0.000 0.000) 0.000 28.102 ( 0.000 0.000 0.000) 0.000 28.273 ( 0.000 0.000 0.000) 0.000 28.283 ( 0.000 0.000 0.000) 0.000 28.287 ( 0.000 0.000 0.000) 0.000 28.684 ( 0.000 0.000 0.000) 0.000 28.888 ( 0.000 0.000 0.000) 0.000 28.955 ( 0.000 0.000 0.000) 0.000 29.019 ( 0.000 0.000 0.000) 0.000 29.152 ( 0.000 0.000 0.000) 0.000 29.178 ( 0.000 0.000 0.000) 0.000 29.215 ( 0.000 0.000 0.000) 0.000 29.372 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 29.934 ( 0.000 0.000 0.000) 0.000 30.074 ( 0.000 0.000 0.000) 0.000 30.263 ( 0.000 0.000 0.000) 0.000 30.337 ( 0.000 0.000 0.000) 0.000 30.381 ( 0.000 0.000 0.000) 0.000 30.803 ( 0.000 0.000 0.000) 0.000 30.857 ( 0.000 0.000 0.000) 0.000 30.883 ( 0.000 0.000 0.000) 0.000 31.326 ( 0.000 0.000 0.000) 0.000 31.368 ( 0.000 0.000 0.000) 0.000 31.390 ( 0.000 0.000 0.000) 0.000 31.409 ( 0.000 0.000 0.000) 0.000 31.729 ( 0.000 0.000 0.000) 0.000 31.753 ( 0.000 0.000 0.000) 0.000 31.827 ( 0.000 0.000 0.000) 0.000 31.967 ( 0.000 0.000 0.000) 0.000 32.102 ( 0.000 -0.000 0.000) 0.000 32.103 ( 0.000 0.000 0.000) 0.000 32.158 ( 0.000 0.000 0.000) 0.000 32.335 ( 0.000 0.000 0.000) 0.000 32.829 ( 0.000 0.000 0.000) 0.000 33.888 ( 0.000 0.000 0.000) 0.000 34.149 ( 0.000 0.000 0.000) 0.000 35.004 ( 0.000 0.000 0.000) 0.000 36.435 ( 0.000 0.000 0.000) 0.000 36.541 ( 0.000 0.000 0.000) 0.000 36.987 ( 0.000 0.000 0.000) 0.000 36.987 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.639 0.000 0.000) 0.639 1.723 ( -16.867 0.000 0.000) 16.867 1.782 ( 20.452 0.000 0.000) 20.452 1.998 ( -6.494 0.000 0.000) 6.494 2.003 ( 23.215 -0.000 0.000) 23.215 2.082 ( -9.786 0.000 0.000) 9.786 2.294 ( 6.323 -0.000 0.000) 6.323 2.366 ( 4.401 0.000 0.000) 4.401 2.560 ( -1.670 0.000 0.000) 1.670 2.643 ( -15.751 0.000 0.000) 15.751 2.891 ( -7.072 0.000 0.000) 7.072 2.961 ( 3.739 0.000 0.000) 3.739 3.067 ( -0.697 0.000 0.000) 0.697 3.146 ( -8.281 0.000 0.000) 8.281 3.218 ( 4.870 0.000 0.000) 4.870 3.308 ( 7.361 0.000 0.000) 7.361 3.533 ( 0.718 0.000 0.000) 0.718 3.709 ( -9.941 0.000 0.000) 9.941 3.732 ( 4.428 0.000 0.000) 4.428 3.750 ( 22.316 0.000 0.000) 22.316 3.800 ( -4.794 -0.000 0.000) 4.794 3.980 ( 14.759 0.000 0.000) 14.759 4.259 ( 3.339 0.000 0.000) 3.339 4.279 ( 6.155 0.000 0.000) 6.155 4.303 ( 1.856 0.000 0.000) 1.856 4.453 ( 8.189 0.000 0.000) 8.189 4.564 ( -8.408 0.000 0.000) 8.408 4.715 ( 7.137 0.000 0.000) 7.137 4.759 ( 6.740 0.000 0.000) 6.740 4.823 ( -5.219 0.000 0.000) 5.219 4.872 ( 10.665 0.000 0.000) 10.665 4.933 ( 10.362 0.000 0.000) 10.362 4.991 ( -10.572 0.000 0.000) 10.572 5.115 ( 12.700 0.000 0.000) 12.700 5.179 ( -3.617 -0.000 0.000) 3.617 5.300 ( -3.479 0.000 0.000) 3.479 5.421 ( 0.721 0.000 0.000) 0.721 5.480 ( -9.479 -0.000 0.000) 9.479 5.690 ( 6.537 -0.000 0.000) 6.537 5.709 ( -8.605 0.000 0.000) 8.605 5.716 ( -3.342 -0.000 0.000) 3.342 5.780 ( 5.320 -0.000 0.000) 5.320 6.005 ( -8.146 0.000 0.000) 8.146 6.190 ( 5.208 0.000 0.000) 5.208 6.331 ( 2.267 0.000 0.000) 2.267 6.415 ( 6.243 0.000 0.000) 6.243 6.479 ( 1.583 0.000 0.000) 1.583 6.501 ( 7.261 0.000 0.000) 7.261 6.588 ( -4.830 0.000 0.000) 4.830 6.729 ( -4.581 0.000 0.000) 4.581 6.733 ( -2.018 -0.000 0.000) 2.018 6.879 ( -3.977 -0.000 0.000) 3.977 6.960 ( 8.041 0.000 0.000) 8.041 7.039 ( -11.223 0.000 0.000) 11.223 7.145 ( 5.017 0.000 0.000) 5.017 7.284 ( 2.947 0.000 0.000) 2.947 7.483 ( -7.739 0.000 0.000) 7.739 7.493 ( -6.753 -0.000 0.000) 6.753 7.624 ( -0.204 0.000 0.000) 0.204 7.670 ( 0.824 0.000 0.000) 0.824 7.836 ( -5.572 0.000 0.000) 5.572 7.876 ( -13.665 0.000 0.000) 13.665 7.923 ( -3.749 0.000 0.000) 3.749 7.973 ( -3.156 0.000 0.000) 3.156 7.998 ( 2.484 0.000 0.000) 2.484 8.159 ( -0.853 0.000 0.000) 0.853 8.233 ( -2.794 0.000 0.000) 2.794 8.246 ( -3.301 0.000 0.000) 3.301 8.309 ( 0.260 0.000 0.000) 0.260 8.437 ( -3.731 0.000 0.000) 3.731 8.516 ( -1.742 0.000 0.000) 1.742 8.563 ( 3.435 0.000 0.000) 3.435 8.634 ( 0.587 0.000 0.000) 0.587 8.708 ( -4.079 0.000 0.000) 4.079 8.750 ( 5.235 0.000 0.000) 5.235 8.834 ( -0.020 0.000 0.000) 0.020 8.981 ( 4.520 0.000 0.000) 4.520 9.027 ( -2.907 0.000 0.000) 2.907 9.087 ( 1.446 0.000 0.000) 1.446 9.236 ( -14.967 0.000 0.000) 14.967 9.286 ( 8.501 0.000 0.000) 8.501 9.331 ( 8.446 0.000 0.000) 8.446 9.440 ( -3.980 0.000 0.000) 3.980 9.507 ( -6.598 0.000 0.000) 6.598 9.535 ( -10.629 0.000 0.000) 10.629 9.651 ( 12.806 0.000 0.000) 12.806 9.728 ( -1.888 0.000 0.000) 1.888 9.745 ( -0.952 0.000 0.000) 0.952 9.888 ( 2.000 0.000 0.000) 2.000 9.953 ( 1.804 -0.000 0.000) 1.804 9.968 ( 5.580 0.000 0.000) 5.580 10.092 ( -0.056 0.000 0.000) 0.056 10.150 ( 11.265 -0.000 0.000) 11.265 10.170 ( 0.321 0.000 0.000) 0.321 10.207 ( 5.681 -0.000 0.000) 5.681 10.277 ( -4.734 0.000 0.000) 4.734 10.398 ( 3.439 0.000 0.000) 3.439 10.570 ( 3.201 0.000 0.000) 3.201 10.602 ( -0.484 0.000 0.000) 0.484 10.660 ( 8.229 0.000 0.000) 8.229 10.869 ( -0.019 0.000 0.000) 0.019 10.883 ( -4.481 0.000 0.000) 4.481 11.146 ( 1.812 0.000 0.000) 1.812 11.160 ( -3.987 0.000 0.000) 3.987 11.323 ( -0.425 0.000 0.000) 0.425 11.400 ( 0.870 0.000 0.000) 0.870 11.619 ( -0.288 0.000 0.000) 0.288 11.768 ( -2.638 0.000 0.000) 2.638 11.945 ( 3.779 0.000 0.000) 3.779 12.015 ( 2.833 0.000 0.000) 2.833 12.285 ( -5.951 0.000 0.000) 5.951 12.353 ( -7.542 0.000 0.000) 7.542 12.524 ( 1.026 0.000 0.000) 1.026 12.526 ( -3.683 -0.000 0.000) 3.683 12.551 ( 0.200 -0.000 0.000) 0.200 12.580 ( -0.347 -0.000 0.000) 0.347 12.682 ( -1.039 0.000 0.000) 1.039 12.688 ( -3.254 -0.000 0.000) 3.254 12.736 ( -3.692 0.000 0.000) 3.692 12.766 ( 3.358 0.000 0.000) 3.358 12.854 ( 0.440 0.000 0.000) 0.440 12.969 ( 7.013 0.000 0.000) 7.013 12.990 ( -3.843 0.000 0.000) 3.843 13.078 ( 3.284 0.000 0.000) 3.284 13.188 ( 5.794 0.000 0.000) 5.794 13.370 ( 2.349 0.000 0.000) 2.349 13.759 ( -10.686 0.000 0.000) 10.686 14.223 ( -11.459 0.000 0.000) 11.459 14.679 ( -1.335 0.000 0.000) 1.335 14.879 ( -3.259 0.000 0.000) 3.259 15.100 ( 1.861 0.000 0.000) 1.861 15.327 ( 4.376 0.000 0.000) 4.376 15.637 ( 3.055 0.000 0.000) 3.055 15.694 ( -0.280 0.000 0.000) 0.280 15.771 ( 1.910 0.000 0.000) 1.910 15.930 ( 1.137 0.000 0.000) 1.137 16.044 ( 12.373 0.000 0.000) 12.373 16.142 ( 2.025 0.000 0.000) 2.025 16.402 ( 0.611 0.000 0.000) 0.611 16.413 ( 1.015 0.000 0.000) 1.015 16.433 ( 5.949 -0.000 0.000) 5.949 16.536 ( 3.132 0.000 0.000) 3.132 16.715 ( 3.923 0.000 0.000) 3.923 16.782 ( -7.175 0.000 0.000) 7.175 16.997 ( -2.551 -0.000 0.000) 2.551 17.001 ( 4.817 0.000 0.000) 4.817 17.161 ( -2.169 0.000 0.000) 2.169 17.227 ( -0.511 0.000 0.000) 0.511 17.286 ( 0.870 0.000 0.000) 0.870 17.407 ( -4.093 0.000 0.000) 4.093 17.512 ( 0.285 0.000 0.000) 0.285 17.526 ( -2.542 0.000 0.000) 2.542 17.581 ( -2.644 0.000 0.000) 2.644 17.607 ( -7.554 0.000 0.000) 7.554 17.722 ( 0.263 0.000 0.000) 0.263 17.851 ( 2.571 0.000 0.000) 2.571 18.291 ( 5.976 0.000 0.000) 5.976 18.342 ( 2.599 0.000 0.000) 2.599 18.462 ( 4.606 0.000 0.000) 4.606 18.547 ( 5.808 0.000 0.000) 5.808 18.695 ( 4.449 0.000 0.000) 4.449 18.747 ( 0.048 0.000 0.000) 0.048 19.023 ( -11.163 0.000 0.000) 11.163 19.084 ( -1.874 0.000 0.000) 1.874 19.167 ( -2.623 0.000 0.000) 2.623 19.198 ( -6.858 0.000 0.000) 6.858 19.458 ( -2.012 0.000 0.000) 2.012 19.514 ( -5.062 0.000 0.000) 5.062 27.203 ( 0.215 0.000 0.000) 0.215 27.265 ( 1.604 0.000 0.000) 1.604 27.336 ( 2.692 0.000 0.000) 2.692 27.360 ( 4.079 0.000 0.000) 4.079 27.708 ( 1.201 0.000 0.000) 1.201 27.764 ( -0.801 0.000 0.000) 0.801 27.842 ( -3.004 0.000 0.000) 3.004 28.049 ( -4.914 0.000 0.000) 4.914 28.215 ( -2.364 0.000 0.000) 2.364 28.333 ( 3.525 0.000 0.000) 3.525 28.375 ( 4.672 0.000 0.000) 4.672 28.649 ( -3.785 0.000 0.000) 3.785 28.848 ( -1.618 0.000 0.000) 1.618 28.971 ( 1.585 0.000 0.000) 1.585 29.031 ( -0.699 0.000 0.000) 0.699 29.101 ( 2.559 0.000 0.000) 2.559 29.207 ( -1.240 0.000 0.000) 1.240 29.341 ( -3.496 0.000 0.000) 3.496 29.346 ( 8.126 0.000 0.000) 8.126 29.566 ( -12.214 0.000 0.000) 12.214 29.937 ( 0.318 0.000 0.000) 0.318 29.969 ( -3.964 0.000 0.000) 3.964 30.312 ( 1.100 0.000 0.000) 1.100 30.338 ( 0.109 0.000 0.000) 0.109 30.400 ( 2.106 0.000 0.000) 2.106 30.759 ( -4.015 0.000 0.000) 4.015 30.920 ( 3.157 0.000 0.000) 3.157 30.997 ( 9.206 0.000 0.000) 9.206 31.294 ( -5.344 0.000 0.000) 5.344 31.301 ( -2.399 0.000 0.000) 2.399 31.395 ( -0.631 -1.132 0.000) 1.296 31.395 ( -0.496 1.132 0.000) 1.235 31.710 ( -1.011 0.000 0.000) 1.011 31.739 ( -0.912 0.000 0.000) 0.912 31.860 ( 2.140 0.000 0.000) 2.140 31.948 ( -1.084 0.000 0.000) 1.084 32.084 ( -1.389 0.000 0.000) 1.389 32.098 ( -2.390 -0.000 0.000) 2.390 32.151 ( -0.804 0.000 0.000) 0.804 32.308 ( -2.290 0.000 0.000) 2.290 33.120 ( 24.334 0.000 0.000) 24.334 33.894 ( 0.505 0.000 0.000) 0.505 34.252 ( 10.161 0.000 0.000) 10.161 35.105 ( 7.101 0.000 0.000) 7.101 36.395 ( -11.159 0.000 0.000) 11.159 36.462 ( 2.407 0.000 0.000) 2.407 36.945 ( -4.185 0.000 0.000) 4.185 36.960 ( -2.782 0.000 0.000) 2.782 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -29.577 0.000 0.000) 29.577 1.299 ( -39.616 0.000 0.000) 39.616 1.690 ( 23.774 0.000 0.000) 23.774 2.070 ( 0.270 0.000 0.000) 0.270 2.258 ( -6.644 -0.000 0.000) 6.644 2.305 ( -5.798 0.000 0.000) 5.798 2.464 ( 18.835 -0.000 0.000) 18.835 2.487 ( 19.585 0.000 0.000) 19.585 2.537 ( 7.908 -0.000 0.000) 7.908 2.552 ( -0.402 0.000 0.000) 0.402 2.804 ( -1.913 0.000 0.000) 1.913 2.955 ( 2.757 0.000 0.000) 2.757 3.082 ( 9.124 0.000 0.000) 9.124 3.105 ( 3.703 -0.000 0.000) 3.703 3.234 ( 0.476 0.000 0.000) 0.476 3.267 ( -8.760 -0.000 0.000) 8.760 3.460 ( 6.584 0.000 0.000) 6.584 3.745 ( -5.444 0.000 0.000) 5.444 3.863 ( 0.341 0.000 0.000) 0.341 3.920 ( 16.110 0.000 0.000) 16.110 4.096 ( 3.283 0.000 0.000) 3.283 4.102 ( 10.393 0.000 0.000) 10.393 4.291 ( -7.965 0.000 0.000) 7.965 4.336 ( -0.285 0.000 0.000) 0.285 4.366 ( -1.080 -0.000 0.000) 1.080 4.403 ( -23.412 0.000 0.000) 23.412 4.610 ( 12.016 0.000 0.000) 12.016 4.706 ( 1.068 0.000 0.000) 1.068 4.757 ( 7.266 0.000 0.000) 7.266 4.894 ( -1.038 0.000 0.000) 1.038 4.976 ( 3.315 0.000 0.000) 3.315 5.023 ( 2.197 0.000 0.000) 2.197 5.074 ( -14.673 0.000 0.000) 14.673 5.200 ( 9.129 0.000 0.000) 9.129 5.239 ( 27.965 0.000 0.000) 27.965 5.275 ( 4.991 0.000 0.000) 4.991 5.331 ( -2.996 -0.000 0.000) 2.996 5.511 ( -3.322 0.000 0.000) 3.322 5.589 ( -5.790 0.000 0.000) 5.790 5.698 ( 0.533 0.000 0.000) 0.533 5.768 ( 7.359 0.000 0.000) 7.359 5.851 ( 6.953 0.000 0.000) 6.953 5.908 ( 4.392 0.000 0.000) 4.392 6.272 ( -5.169 0.000 0.000) 5.169 6.296 ( -12.763 0.000 0.000) 12.763 6.395 ( -2.110 0.000 0.000) 2.110 6.540 ( -0.011 0.000 0.000) 0.011 6.546 ( 13.741 -0.000 0.000) 13.741 6.634 ( 8.592 0.000 0.000) 8.592 6.737 ( -1.409 0.000 0.000) 1.409 6.748 ( 1.645 -0.000 0.000) 1.645 6.848 ( -2.321 0.000 0.000) 2.321 6.895 ( 3.001 -0.000 0.000) 3.001 7.059 ( -4.792 0.000 0.000) 4.792 7.204 ( -19.688 0.000 0.000) 19.688 7.268 ( 4.013 0.000 0.000) 4.013 7.360 ( 5.103 0.000 0.000) 5.103 7.431 ( 6.740 0.000 0.000) 6.740 7.540 ( -15.282 0.000 0.000) 15.282 7.639 ( -2.863 0.000 0.000) 2.863 7.651 ( -1.293 0.000 0.000) 1.293 7.753 ( -1.980 0.000 0.000) 1.980 7.788 ( -7.429 0.000 0.000) 7.429 7.890 ( -7.098 0.000 0.000) 7.098 8.048 ( -0.480 0.000 0.000) 0.480 8.181 ( -6.879 0.000 0.000) 6.879 8.187 ( -0.110 -0.000 0.000) 0.110 8.223 ( 5.951 0.000 0.000) 5.951 8.336 ( -1.052 0.000 0.000) 1.052 8.350 ( -12.596 0.000 0.000) 12.596 8.361 ( 1.256 -0.000 0.000) 1.256 8.460 ( -2.760 0.000 0.000) 2.760 8.643 ( -1.676 0.000 0.000) 1.676 8.696 ( -0.311 0.000 0.000) 0.311 8.796 ( -8.681 0.000 0.000) 8.681 8.815 ( -0.010 -0.000 0.000) 0.010 8.916 ( -7.227 0.000 0.000) 7.227 8.987 ( -1.785 0.000 0.000) 1.785 9.044 ( 2.152 0.000 0.000) 2.152 9.083 ( -0.042 0.000 0.000) 0.042 9.307 ( -10.128 0.000 0.000) 10.128 9.431 ( 3.441 0.000 0.000) 3.441 9.475 ( 2.705 0.000 0.000) 2.705 9.485 ( 5.883 0.000 0.000) 5.883 9.555 ( -8.273 0.000 0.000) 8.273 9.612 ( 13.552 0.000 0.000) 13.552 9.674 ( -2.644 0.000 0.000) 2.644 9.919 ( -3.255 0.000 0.000) 3.255 9.935 ( 3.334 0.000 0.000) 3.334 9.995 ( 10.947 0.000 0.000) 10.947 10.078 ( 5.646 -0.000 0.000) 5.646 10.090 ( -0.532 0.000 0.000) 0.532 10.202 ( -0.302 0.000 0.000) 0.302 10.254 ( 5.455 -0.000 0.000) 5.455 10.271 ( 0.081 0.000 0.000) 0.081 10.328 ( 4.681 0.000 0.000) 4.681 10.462 ( 1.571 0.000 0.000) 1.571 10.572 ( -4.086 -0.000 0.000) 4.086 10.625 ( 5.252 0.000 0.000) 5.252 10.790 ( 2.706 0.000 0.000) 2.706 10.827 ( 2.524 0.000 0.000) 2.524 10.938 ( 6.367 0.000 0.000) 6.367 11.069 ( -5.181 0.000 0.000) 5.181 11.149 ( -2.214 0.000 0.000) 2.214 11.333 ( 1.162 0.000 0.000) 1.162 11.393 ( -1.722 0.000 0.000) 1.722 11.653 ( 3.903 0.000 0.000) 3.903 11.748 ( 0.084 0.000 0.000) 0.084 12.009 ( 2.631 0.000 0.000) 2.631 12.048 ( -0.325 0.000 0.000) 0.325 12.224 ( -4.084 -0.000 0.000) 4.084 12.225 ( 0.567 0.000 0.000) 0.567 12.427 ( -7.376 0.000 0.000) 7.376 12.449 ( -4.578 -0.000 0.000) 4.578 12.559 ( 0.878 -0.000 0.000) 0.878 12.599 ( 1.687 -0.000 0.000) 1.687 12.645 ( -2.669 0.000 0.000) 2.669 12.714 ( 1.994 0.000 0.000) 1.994 12.733 ( 1.920 0.000 0.000) 1.920 12.793 ( -0.739 0.000 0.000) 0.739 12.856 ( -5.581 -0.000 0.000) 5.581 12.856 ( 1.582 0.000 0.000) 1.582 13.078 ( 1.859 0.000 0.000) 1.859 13.086 ( -1.861 0.000 0.000) 1.861 13.317 ( 5.056 0.000 0.000) 5.056 13.391 ( -1.999 -0.000 0.000) 1.999 13.606 ( -0.961 0.000 0.000) 0.961 13.945 ( -15.156 0.000 0.000) 15.156 14.681 ( 1.508 0.000 0.000) 1.508 14.811 ( -4.103 0.000 0.000) 4.103 15.125 ( 2.376 0.000 0.000) 2.376 15.301 ( -5.127 0.000 0.000) 5.127 15.761 ( 7.893 0.000 0.000) 7.893 15.794 ( 7.724 0.000 0.000) 7.724 15.851 ( 5.706 0.000 0.000) 5.706 15.997 ( 2.989 0.000 0.000) 2.989 16.174 ( 1.987 0.000 0.000) 1.987 16.216 ( 4.268 0.000 0.000) 4.268 16.392 ( -1.514 0.000 0.000) 1.514 16.467 ( 4.034 0.000 0.000) 4.034 16.514 ( 3.198 0.000 0.000) 3.198 16.530 ( -2.620 0.000 0.000) 2.620 16.701 ( -0.392 0.000 0.000) 0.392 16.843 ( 0.790 0.000 0.000) 0.790 16.928 ( 2.467 0.000 0.000) 2.467 17.100 ( 4.368 0.000 0.000) 4.368 17.150 ( 0.157 0.000 0.000) 0.157 17.201 ( -1.679 0.000 0.000) 1.679 17.284 ( -1.228 0.000 0.000) 1.228 17.295 ( -7.920 0.000 0.000) 7.920 17.457 ( -2.739 -0.000 0.000) 2.739 17.470 ( -4.483 0.000 0.000) 4.483 17.506 ( -2.354 0.000 0.000) 2.354 17.527 ( -1.079 0.000 0.000) 1.079 17.778 ( 4.273 0.000 0.000) 4.273 17.884 ( 0.282 0.000 0.000) 0.282 18.376 ( 3.656 0.000 0.000) 3.656 18.460 ( 8.197 0.000 0.000) 8.197 18.573 ( 4.673 0.000 0.000) 4.673 18.628 ( 0.082 0.000 0.000) 0.082 18.697 ( -4.483 0.000 0.000) 4.483 18.771 ( 2.874 0.000 0.000) 2.874 18.860 ( -1.262 -0.000 0.000) 1.262 18.981 ( -7.986 0.000 0.000) 7.986 19.106 ( -2.648 0.000 0.000) 2.648 19.145 ( -0.287 0.000 0.000) 0.287 19.410 ( -2.569 0.000 0.000) 2.569 19.416 ( -4.223 -0.000 0.000) 4.223 27.236 ( 2.849 0.000 0.000) 2.849 27.292 ( 0.903 0.000 0.000) 0.903 27.377 ( 1.499 0.000 0.000) 1.499 27.413 ( 0.763 0.000 0.000) 0.763 27.733 ( 0.821 0.000 0.000) 0.821 27.747 ( -0.771 0.000 0.000) 0.771 27.814 ( 0.624 0.000 0.000) 0.624 27.946 ( -5.081 0.000 0.000) 5.081 28.203 ( 1.284 0.000 0.000) 1.284 28.341 ( -2.915 0.000 0.000) 2.915 28.462 ( 4.166 0.000 0.000) 4.166 28.577 ( -2.653 0.000 0.000) 2.653 28.859 ( 2.506 0.000 0.000) 2.506 28.997 ( 0.136 -0.000 0.000) 0.136 29.023 ( 0.220 0.000 0.000) 0.220 29.129 ( -6.681 0.000 0.000) 6.681 29.174 ( 3.634 0.000 0.000) 3.634 29.259 ( -2.854 0.000 0.000) 2.854 29.437 ( -1.731 0.000 0.000) 1.731 29.439 ( 1.587 0.000 0.000) 1.587 29.930 ( -0.558 0.000 0.000) 0.558 29.942 ( 0.028 0.000 0.000) 0.028 30.329 ( 1.015 0.000 0.000) 1.015 30.342 ( 0.266 0.000 0.000) 0.266 30.447 ( 2.848 0.000 0.000) 2.848 30.652 ( -6.656 0.000 0.000) 6.656 31.000 ( 4.938 0.000 0.000) 4.938 31.117 ( 2.515 0.000 0.000) 2.515 31.216 ( -2.034 0.000 0.000) 2.034 31.249 ( -2.485 0.000 0.000) 2.485 31.378 ( -0.815 0.000 0.000) 0.815 31.387 ( -0.636 0.000 0.000) 0.636 31.707 ( 0.912 0.000 0.000) 0.912 31.734 ( 0.571 0.000 0.000) 0.571 31.874 ( -1.108 0.000 0.000) 1.108 31.904 ( -4.069 0.000 0.000) 4.069 32.046 ( -1.144 0.000 0.000) 1.144 32.069 ( -0.243 0.000 0.000) 0.243 32.138 ( 0.381 0.000 0.000) 0.381 32.254 ( -3.302 0.000 0.000) 3.302 33.559 ( 18.307 0.000 0.000) 18.307 33.892 ( -1.400 0.000 0.000) 1.400 34.515 ( 16.128 0.000 0.000) 16.128 35.118 ( -7.954 0.000 0.000) 7.954 36.289 ( 2.466 0.000 0.000) 2.466 36.501 ( 0.371 0.000 0.000) 0.371 36.844 ( -5.034 0.000 0.000) 5.034 36.886 ( -4.428 0.000 0.000) 4.428 ======================= Grid point 20 (12/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.298 0.000 0.000) 0.298 0.818 ( 0.298 0.000 0.000) 0.298 1.907 ( -5.186 0.000 0.000) 5.186 1.907 ( 5.186 0.000 0.000) 5.186 2.328 ( -4.450 0.000 0.000) 4.450 2.328 ( 4.450 0.000 0.000) 4.450 2.532 ( -2.478 0.000 0.000) 2.478 2.532 ( 2.478 0.000 0.000) 2.478 2.635 ( -0.165 0.000 0.000) 0.165 2.635 ( 0.165 0.000 0.000) 0.165 3.004 ( -9.161 0.000 0.000) 9.161 3.004 ( 9.161 0.000 0.000) 9.161 3.089 ( -0.608 0.000 0.000) 0.608 3.089 ( 0.608 0.000 0.000) 0.608 3.461 ( -9.106 -0.000 0.000) 9.106 3.461 ( 9.106 0.000 0.000) 9.106 3.485 ( -2.854 0.000 0.000) 2.854 3.485 ( 2.854 0.000 0.000) 2.854 3.859 ( -14.211 0.000 0.000) 14.211 3.859 ( 14.211 0.000 0.000) 14.211 4.115 ( -7.241 0.000 0.000) 7.241 4.115 ( 7.241 0.000 0.000) 7.241 4.250 ( -3.906 0.000 0.000) 3.906 4.250 ( 3.906 0.000 0.000) 3.906 4.370 ( -4.518 0.000 0.000) 4.518 4.370 ( 4.518 0.000 0.000) 4.518 4.706 ( -15.547 0.000 0.000) 15.547 4.706 ( 15.547 0.000 0.000) 15.547 4.788 ( -6.555 -0.000 0.000) 6.555 4.788 ( 6.555 -0.000 0.000) 6.555 4.956 ( -6.716 0.000 0.000) 6.716 4.956 ( 6.716 0.000 0.000) 6.716 5.239 ( -9.009 -0.000 0.000) 9.009 5.239 ( 9.009 0.000 0.000) 9.009 5.294 ( -2.045 -0.000 0.000) 2.045 5.294 ( 2.045 0.000 0.000) 2.045 5.457 ( -8.447 0.000 0.000) 8.447 5.457 ( 8.447 0.000 0.000) 8.447 5.670 ( -11.207 0.000 0.000) 11.207 5.670 ( 11.207 0.000 0.000) 11.207 5.879 ( -14.013 0.000 0.000) 14.013 5.879 ( 14.013 0.000 0.000) 14.013 6.239 ( -20.799 -0.000 0.000) 20.799 6.239 ( 20.799 0.000 0.000) 20.799 6.360 ( -4.817 0.000 0.000) 4.817 6.360 ( 4.817 0.000 0.000) 4.817 6.451 ( -21.679 0.000 0.000) 21.679 6.451 ( 21.679 0.000 0.000) 21.679 6.670 ( -6.902 0.000 0.000) 6.902 6.670 ( 6.902 0.000 0.000) 6.902 6.789 ( -5.094 0.000 0.000) 5.094 6.789 ( 5.094 0.000 0.000) 5.094 6.922 ( -3.801 -0.000 0.000) 3.801 6.922 ( 3.801 -0.000 0.000) 3.801 7.190 ( -18.170 0.000 0.000) 18.170 7.190 ( 18.170 0.000 0.000) 18.170 7.419 ( -8.932 0.000 0.000) 8.932 7.419 ( 8.932 0.000 0.000) 8.932 7.623 ( -10.090 0.000 0.000) 10.090 7.623 ( 10.090 0.000 0.000) 10.090 7.642 ( -5.080 -0.000 0.000) 5.080 7.642 ( 5.080 -0.000 0.000) 5.080 7.745 ( -1.790 0.000 0.000) 1.790 7.745 ( 1.790 0.000 0.000) 1.790 8.019 ( -2.074 0.000 0.000) 2.074 8.019 ( 2.074 0.000 0.000) 2.074 8.234 ( -2.785 0.000 0.000) 2.785 8.234 ( 2.785 0.000 0.000) 2.785 8.292 ( -0.637 0.000 0.000) 0.637 8.292 ( 0.637 0.000 0.000) 0.637 8.471 ( -2.864 0.000 0.000) 2.864 8.471 ( 2.864 0.000 0.000) 2.864 8.610 ( -0.242 0.000 0.000) 0.242 8.610 ( 0.242 0.000 0.000) 0.242 8.720 ( -2.338 0.000 0.000) 2.338 8.720 ( 2.338 0.000 0.000) 2.338 8.912 ( -3.531 0.000 0.000) 3.531 8.912 ( 3.531 0.000 0.000) 3.531 9.123 ( -3.539 0.000 0.000) 3.539 9.123 ( 3.539 0.000 0.000) 3.539 9.275 ( -11.443 0.000 0.000) 11.443 9.275 ( 11.443 0.000 0.000) 11.443 9.515 ( -0.469 0.000 0.000) 0.469 9.515 ( 0.469 0.000 0.000) 0.469 9.598 ( -4.029 0.000 0.000) 4.029 9.598 ( 4.029 0.000 0.000) 4.029 9.837 ( -6.989 0.000 0.000) 6.989 9.837 ( 6.989 0.000 0.000) 6.989 10.003 ( -3.693 0.000 0.000) 3.693 10.003 ( 3.693 0.000 0.000) 3.693 10.143 ( -1.019 0.000 0.000) 1.019 10.143 ( 1.019 0.000 0.000) 1.019 10.227 ( -2.334 0.000 0.000) 2.334 10.227 ( 2.334 -0.000 0.000) 2.334 10.349 ( -2.497 0.000 0.000) 2.497 10.349 ( 2.497 0.000 0.000) 2.497 10.485 ( -2.783 0.000 0.000) 2.783 10.485 ( 2.783 0.000 0.000) 2.783 10.753 ( -5.236 0.000 0.000) 5.236 10.753 ( 5.236 0.000 0.000) 5.236 10.949 ( -6.913 0.000 0.000) 6.913 10.949 ( 6.913 0.000 0.000) 6.913 11.068 ( -5.779 0.000 0.000) 5.779 11.068 ( 5.779 0.000 0.000) 5.779 11.354 ( -1.546 0.000 0.000) 1.546 11.354 ( 1.546 0.000 0.000) 1.546 11.732 ( -2.744 0.000 0.000) 2.744 11.732 ( 2.744 0.000 0.000) 2.744 12.030 ( -0.435 0.000 0.000) 0.435 12.030 ( 0.435 0.000 0.000) 0.435 12.232 ( -2.772 0.000 0.000) 2.772 12.232 ( 2.772 0.000 0.000) 2.772 12.360 ( -2.894 0.000 0.000) 2.894 12.360 ( 2.894 0.000 0.000) 2.894 12.591 ( -2.408 0.000 0.000) 2.408 12.591 ( 2.408 0.000 0.000) 2.408 12.655 ( -4.426 0.000 0.000) 4.426 12.655 ( 4.426 0.000 0.000) 4.426 12.773 ( -1.442 0.000 0.000) 1.442 12.773 ( 1.442 0.000 0.000) 1.442 12.862 ( -2.021 0.000 0.000) 2.021 12.862 ( 2.021 0.000 0.000) 2.021 13.061 ( -0.703 0.000 0.000) 0.703 13.061 ( 0.703 0.000 0.000) 0.703 13.361 ( -0.398 0.000 0.000) 0.398 13.361 ( 0.398 0.000 0.000) 0.398 13.703 ( -9.085 0.000 0.000) 9.085 13.703 ( 9.085 0.000 0.000) 9.085 14.732 ( -3.596 0.000 0.000) 3.596 14.732 ( 3.596 0.000 0.000) 3.596 15.198 ( -4.859 0.000 0.000) 4.859 15.198 ( 4.859 0.000 0.000) 4.859 15.876 ( -1.279 0.000 0.000) 1.279 15.876 ( 1.279 0.000 0.000) 1.279 15.959 ( -5.302 0.000 0.000) 5.302 15.959 ( 5.302 0.000 0.000) 5.302 16.236 ( -2.118 0.000 0.000) 2.118 16.236 ( 2.118 0.000 0.000) 2.118 16.385 ( -3.073 0.000 0.000) 3.073 16.385 ( 3.073 0.000 0.000) 3.073 16.620 ( -4.272 0.000 0.000) 4.272 16.620 ( 4.272 0.000 0.000) 4.272 16.698 ( -7.837 0.000 0.000) 7.837 16.698 ( 7.837 0.000 0.000) 7.837 17.098 ( -7.775 0.000 0.000) 7.775 17.098 ( 7.775 0.000 0.000) 7.775 17.150 ( -1.180 0.000 0.000) 1.180 17.150 ( 1.180 0.000 0.000) 1.180 17.234 ( -3.183 0.000 0.000) 3.183 17.234 ( 3.183 0.000 0.000) 3.183 17.429 ( -0.312 0.000 0.000) 0.312 17.429 ( 0.312 -0.000 0.000) 0.312 17.501 ( -1.342 0.000 0.000) 1.342 17.501 ( 1.342 0.000 0.000) 1.342 17.855 ( -3.109 0.000 0.000) 3.109 17.855 ( 3.109 0.000 0.000) 3.109 18.477 ( -7.091 0.000 0.000) 7.091 18.477 ( 7.091 -0.000 0.000) 7.091 18.594 ( -4.597 0.000 0.000) 4.597 18.594 ( 4.597 0.000 0.000) 4.597 18.779 ( -5.802 0.000 0.000) 5.802 18.779 ( 5.802 0.000 0.000) 5.802 18.849 ( -0.909 0.000 0.000) 0.909 18.849 ( 0.910 0.000 0.000) 0.910 19.117 ( -2.568 0.000 0.000) 2.568 19.117 ( 2.568 0.000 0.000) 2.568 19.376 ( -0.333 0.000 0.000) 0.333 19.376 ( 0.333 0.000 0.000) 0.333 27.287 ( -1.664 0.000 0.000) 1.664 27.287 ( 1.664 0.000 0.000) 1.664 27.401 ( -1.243 0.000 0.000) 1.243 27.401 ( 1.243 0.000 0.000) 1.243 27.739 ( -0.169 0.000 0.000) 0.169 27.739 ( 0.169 0.000 0.000) 0.169 27.861 ( -3.647 0.000 0.000) 3.647 27.861 ( 3.647 0.000 0.000) 3.647 28.260 ( -4.232 0.000 0.000) 4.232 28.260 ( 4.232 0.000 0.000) 4.232 28.531 ( -2.769 0.000 0.000) 2.769 28.531 ( 2.769 0.000 0.000) 2.769 28.938 ( -5.192 0.000 0.000) 5.192 28.938 ( 5.192 0.000 0.000) 5.192 29.042 ( -1.914 0.000 0.000) 1.914 29.042 ( 1.914 0.000 0.000) 1.914 29.225 ( -1.663 0.000 0.000) 1.663 29.225 ( 1.663 0.000 0.000) 1.663 29.437 ( -0.887 0.000 0.000) 0.887 29.437 ( 0.887 0.000 0.000) 0.887 29.935 ( -0.647 0.000 0.000) 0.647 29.935 ( 0.647 0.000 0.000) 0.647 30.344 ( -0.272 0.000 0.000) 0.272 30.344 ( 0.272 0.000 0.000) 0.272 30.527 ( -5.599 0.000 0.000) 5.599 30.527 ( 5.599 0.000 0.000) 5.599 31.094 ( -4.009 0.000 0.000) 4.009 31.094 ( 4.009 0.000 0.000) 4.009 31.213 ( -1.224 0.000 0.000) 1.224 31.213 ( 1.224 0.000 0.000) 1.224 31.374 ( -0.496 0.000 0.000) 0.496 31.374 ( 0.496 0.000 0.000) 0.496 31.738 ( -1.286 0.000 0.000) 1.286 31.738 ( 1.286 0.000 0.000) 1.286 31.846 ( -0.003 0.000 0.000) 0.003 31.846 ( 0.003 0.000 0.000) 0.003 32.053 ( -1.149 0.000 0.000) 1.149 32.053 ( 1.149 0.000 0.000) 1.149 32.184 ( -3.630 0.000 0.000) 3.630 32.184 ( 3.630 0.000 0.000) 3.630 33.809 ( -7.916 0.000 0.000) 7.916 33.809 ( 7.916 0.000 0.000) 7.916 34.848 ( -17.256 0.000 0.000) 17.256 34.848 ( 17.256 0.000 0.000) 17.256 36.424 ( -8.006 0.000 0.000) 8.006 36.424 ( 8.006 0.000 0.000) 8.006 36.812 ( -2.158 0.000 0.000) 2.158 36.812 ( 2.158 0.000 0.000) 2.158 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 0.000 26.001) 26.001 0.729 ( 0.000 0.000 38.049) 38.049 1.418 ( 0.000 0.000 65.453) 65.453 1.648 ( 0.000 0.000 13.869) 13.869 2.385 ( 0.000 0.000 0.281) 0.281 2.405 ( 0.000 0.000 19.138) 19.138 2.614 ( 0.000 0.000 16.481) 16.481 2.708 ( 0.000 0.000 -12.432) 12.432 2.732 ( 0.000 0.000 13.791) 13.791 2.790 ( 0.000 0.000 5.507) 5.507 2.810 ( 0.000 0.000 -15.803) 15.803 2.973 ( 0.000 0.000 -5.894) 5.894 3.066 ( 0.000 0.000 8.334) 8.334 3.188 ( 0.000 0.000 -1.509) 1.509 3.282 ( 0.000 0.000 -8.422) 8.422 3.293 ( 0.000 0.000 1.325) 1.325 3.395 ( 0.000 0.000 -12.171) 12.171 3.562 ( 0.000 0.000 -5.293) 5.293 3.711 ( 0.000 0.000 -3.417) 3.417 3.821 ( 0.000 0.000 0.920) 0.920 3.997 ( 0.000 0.000 -4.136) 4.136 4.069 ( 0.000 0.000 28.616) 28.616 4.127 ( 0.000 0.000 -2.167) 2.167 4.254 ( 0.000 0.000 10.201) 10.201 4.260 ( 0.000 0.000 0.715) 0.715 4.555 ( 0.000 0.000 -6.844) 6.844 4.653 ( 0.000 0.000 10.206) 10.206 4.673 ( 0.000 0.000 -6.877) 6.877 4.693 ( 0.000 0.000 10.976) 10.976 4.824 ( 0.000 0.000 0.503) 0.503 4.830 ( 0.000 0.000 11.529) 11.529 4.895 ( 0.000 0.000 -1.748) 1.748 5.044 ( 0.000 0.000 -7.996) 7.996 5.150 ( 0.000 0.000 -2.526) 2.526 5.226 ( 0.000 0.000 -7.663) 7.663 5.293 ( 0.000 0.000 -13.669) 13.669 5.326 ( 0.000 0.000 6.610) 6.610 5.478 ( 0.000 0.000 0.270) 0.270 5.647 ( 0.000 0.000 0.372) 0.372 5.651 ( 0.000 0.000 4.943) 4.943 5.840 ( 0.000 0.000 15.002) 15.002 5.865 ( 0.000 0.000 2.482) 2.482 6.012 ( 0.000 0.000 14.346) 14.346 6.141 ( 0.000 0.000 -1.916) 1.916 6.280 ( 0.000 0.000 15.297) 15.297 6.367 ( 0.000 0.000 1.370) 1.370 6.385 ( 0.000 0.000 2.231) 2.231 6.507 ( 0.000 0.000 -2.663) 2.663 6.592 ( 0.000 0.000 5.812) 5.812 6.630 ( 0.000 0.000 -0.052) 0.052 6.820 ( 0.000 0.000 -10.958) 10.958 6.897 ( 0.000 0.000 6.352) 6.352 6.984 ( 0.000 0.000 3.458) 3.458 7.111 ( 0.000 0.000 -4.899) 4.899 7.259 ( 0.000 0.000 -6.924) 6.924 7.343 ( 0.000 0.000 -2.621) 2.621 7.543 ( 0.000 0.000 6.292) 6.292 7.566 ( 0.000 0.000 3.840) 3.840 7.678 ( 0.000 0.000 -10.657) 10.657 7.722 ( 0.000 0.000 -4.676) 4.676 7.779 ( 0.000 0.000 4.566) 4.566 7.873 ( 0.000 0.000 -2.833) 2.833 7.961 ( 0.000 0.000 -5.663) 5.663 7.965 ( 0.000 0.000 -12.108) 12.108 8.214 ( 0.000 0.000 -7.388) 7.388 8.223 ( 0.000 0.000 -10.844) 10.844 8.270 ( 0.000 0.000 -2.992) 2.992 8.283 ( 0.000 0.000 -8.479) 8.479 8.339 ( 0.000 0.000 0.962) 0.962 8.343 ( 0.000 0.000 7.004) 7.004 8.443 ( 0.000 0.000 -0.923) 0.923 8.458 ( 0.000 0.000 -1.872) 1.872 8.503 ( 0.000 0.000 -7.243) 7.243 8.637 ( 0.000 0.000 -1.690) 1.690 8.663 ( 0.000 0.000 -6.425) 6.425 8.839 ( 0.000 0.000 0.655) 0.655 8.843 ( 0.000 0.000 7.327) 7.327 8.887 ( 0.000 0.000 2.262) 2.262 8.958 ( 0.000 0.000 1.896) 1.896 9.252 ( 0.000 0.000 5.566) 5.566 9.278 ( 0.000 0.000 5.178) 5.178 9.304 ( 0.000 0.000 -3.860) 3.860 9.574 ( 0.000 0.000 -2.285) 2.285 9.582 ( 0.000 0.000 -6.086) 6.086 9.594 ( 0.000 0.000 4.942) 4.942 9.606 ( 0.000 0.000 -3.808) 3.808 9.652 ( 0.000 0.000 -9.420) 9.420 9.727 ( 0.000 0.000 0.905) 0.905 9.826 ( 0.000 0.000 -2.901) 2.901 9.829 ( 0.000 0.000 1.848) 1.848 9.966 ( 0.000 0.000 1.580) 1.580 9.967 ( 0.000 0.000 4.962) 4.962 10.040 ( 0.000 0.000 -2.483) 2.483 10.106 ( 0.000 0.000 5.792) 5.792 10.225 ( 0.000 0.000 -2.368) 2.368 10.303 ( 0.000 0.000 9.252) 9.252 10.481 ( 0.000 0.000 -1.692) 1.692 10.593 ( 0.000 0.000 -3.121) 3.121 10.689 ( 0.000 0.000 -2.416) 2.416 10.901 ( 0.000 0.000 -1.816) 1.816 10.907 ( 0.000 0.000 -2.012) 2.012 10.985 ( 0.000 0.000 -0.530) 0.530 11.009 ( 0.000 0.000 0.188) 0.188 11.210 ( 0.000 0.000 3.699) 3.699 11.293 ( 0.000 0.000 3.726) 3.726 11.302 ( 0.000 0.000 -3.397) 3.397 11.524 ( 0.000 0.000 1.190) 1.190 11.928 ( 0.000 0.000 -2.849) 2.849 11.996 ( 0.000 0.000 1.791) 1.791 12.032 ( 0.000 0.000 5.578) 5.578 12.057 ( 0.000 0.000 1.755) 1.755 12.136 ( 0.000 0.000 0.560) 0.560 12.315 ( 0.000 0.000 -9.665) 9.665 12.383 ( 0.000 0.000 -5.503) 5.503 12.459 ( 0.000 0.000 -18.712) 18.712 12.506 ( 0.000 0.000 -1.458) 1.458 12.579 ( 0.000 0.000 -1.962) 1.962 12.695 ( 0.000 0.000 2.196) 2.196 12.799 ( 0.000 0.000 -0.470) 0.470 12.830 ( 0.000 0.000 4.245) 4.245 12.918 ( 0.000 0.000 -8.313) 8.313 13.009 ( 0.000 0.000 -3.581) 3.581 13.032 ( 0.000 0.000 -10.286) 10.286 13.224 ( 0.000 0.000 -13.795) 13.795 13.277 ( 0.000 0.000 1.483) 1.483 13.674 ( 0.000 0.000 -12.159) 12.159 13.705 ( 0.000 0.000 0.944) 0.944 13.743 ( 0.000 0.000 -0.578) 0.578 14.887 ( 0.000 0.000 3.389) 3.389 15.061 ( 0.000 0.000 4.317) 4.317 15.171 ( 0.000 0.000 1.566) 1.566 15.583 ( 0.000 0.000 1.053) 1.053 15.744 ( 0.000 0.000 10.246) 10.246 15.883 ( 0.000 0.000 2.675) 2.675 15.885 ( 0.000 0.000 14.262) 14.262 16.023 ( 0.000 0.000 4.367) 4.367 16.057 ( 0.000 0.000 -1.433) 1.433 16.073 ( 0.000 0.000 -3.730) 3.730 16.362 ( 0.000 0.000 -1.249) 1.249 16.394 ( 0.000 0.000 -0.251) 0.251 16.449 ( 0.000 0.000 6.908) 6.908 16.495 ( 0.000 0.000 -0.493) 0.493 16.619 ( 0.000 0.000 12.878) 12.878 16.884 ( 0.000 0.000 2.337) 2.337 17.015 ( 0.000 0.000 -7.700) 7.700 17.087 ( 0.000 0.000 5.013) 5.013 17.115 ( 0.000 0.000 -3.580) 3.580 17.154 ( 0.000 0.000 -5.502) 5.502 17.280 ( 0.000 0.000 -3.483) 3.483 17.290 ( 0.000 0.000 -2.050) 2.050 17.441 ( 0.000 0.000 -5.688) 5.688 17.525 ( 0.000 0.000 8.019) 8.019 17.635 ( 0.000 0.000 1.422) 1.422 17.701 ( 0.000 0.000 5.545) 5.545 17.721 ( 0.000 0.000 1.318) 1.318 17.860 ( 0.000 0.000 1.473) 1.473 18.204 ( 0.000 0.000 3.331) 3.331 18.266 ( 0.000 0.000 -1.005) 1.005 18.378 ( 0.000 0.000 0.482) 0.482 18.492 ( 0.000 0.000 -5.339) 5.339 18.626 ( 0.000 0.000 7.811) 7.811 18.729 ( 0.000 0.000 6.255) 6.255 19.057 ( 0.000 0.000 2.200) 2.200 19.087 ( 0.000 0.000 -5.403) 5.403 19.143 ( 0.000 0.000 -0.528) 0.528 19.183 ( 0.000 0.000 -5.142) 5.142 19.488 ( 0.000 0.000 0.187) 0.187 19.576 ( 0.000 0.000 -8.925) 8.925 27.179 ( 0.000 0.000 -1.495) 1.495 27.235 ( 0.000 0.000 -5.079) 5.079 27.264 ( 0.000 0.000 1.735) 1.735 27.481 ( 0.000 0.000 -1.345) 1.345 27.708 ( 0.000 0.000 7.027) 7.027 27.789 ( 0.000 0.000 -0.468) 0.468 27.909 ( 0.000 0.000 1.769) 1.769 28.013 ( 0.000 0.000 -9.258) 9.258 28.208 ( 0.000 0.000 -2.442) 2.442 28.239 ( 0.000 0.000 -2.689) 2.689 28.474 ( 0.000 0.000 3.982) 3.982 28.690 ( 0.000 0.000 -2.320) 2.320 28.981 ( 0.000 0.000 0.389) 0.389 29.058 ( 0.000 0.000 3.471) 3.471 29.069 ( 0.000 0.000 2.348) 2.348 29.071 ( 0.000 0.000 3.466) 3.466 29.216 ( 0.000 0.000 2.089) 2.089 29.279 ( 0.000 0.000 6.981) 6.981 29.371 ( 0.000 0.000 2.153) 2.153 29.455 ( 0.000 0.000 -1.717) 1.717 29.966 ( 0.000 0.000 7.028) 7.028 29.988 ( 0.000 0.000 0.486) 0.486 30.013 ( 0.000 0.000 -0.417) 0.417 30.350 ( 0.000 0.000 1.090) 1.090 30.696 ( 0.000 0.000 -1.127) 1.127 30.851 ( 0.000 0.000 -0.363) 0.363 30.915 ( 0.000 0.000 0.266) 0.266 31.077 ( 0.000 0.000 -3.113) 3.113 31.193 ( 0.000 0.000 7.094) 7.094 31.319 ( 0.000 0.000 -0.382) 0.382 31.507 ( 0.000 0.000 -3.964) 3.964 31.547 ( 0.000 0.000 0.462) 0.462 31.735 ( 0.000 0.000 2.062) 2.062 31.763 ( 0.000 0.000 0.294) 0.294 31.881 ( 0.000 0.000 6.580) 6.580 31.908 ( 0.000 0.000 -1.193) 1.193 31.948 ( 0.000 0.000 7.712) 7.712 32.029 ( 0.000 0.000 4.754) 4.754 32.218 ( 0.000 0.000 -2.949) 2.949 32.286 ( 0.000 0.000 -2.348) 2.348 33.434 ( 0.000 0.000 1.642) 1.642 33.913 ( 0.000 0.000 3.285) 3.285 34.109 ( 0.000 0.000 -8.422) 8.422 35.046 ( 0.000 0.000 -10.589) 10.589 35.986 ( 0.000 0.000 4.013) 4.013 36.496 ( 0.000 0.000 -1.781) 1.781 36.908 ( 0.000 0.000 -9.998) 9.998 36.928 ( 0.000 0.000 -5.835) 5.835 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 25.035 0.000 25.891) 36.016 1.217 ( 43.132 0.000 15.276) 45.757 1.897 ( 45.301 0.000 27.258) 52.870 1.930 ( 23.721 0.000 11.662) 26.432 2.189 ( -17.732 0.000 7.133) 19.113 2.302 ( -13.716 0.000 16.786) 21.678 2.481 ( -19.855 0.000 -2.371) 19.996 2.530 ( -1.897 0.000 4.135) 4.549 2.660 ( 2.440 0.000 17.950) 18.115 2.791 ( 2.419 0.000 -6.305) 6.754 2.816 ( -6.592 0.000 5.666) 8.693 2.860 ( -6.666 0.000 -2.277) 7.045 2.993 ( -3.244 0.000 3.134) 4.510 3.129 ( 3.054 0.000 -3.801) 4.876 3.308 ( 1.472 0.000 -0.593) 1.587 3.426 ( 4.385 0.000 -0.916) 4.480 3.524 ( 4.535 0.000 -1.679) 4.836 3.593 ( 6.266 0.000 -11.195) 12.829 3.755 ( -4.831 0.000 4.121) 6.350 3.815 ( -6.050 0.000 8.398) 10.351 3.906 ( -2.214 0.000 -1.625) 2.747 4.082 ( -1.660 0.000 -5.727) 5.963 4.221 ( 15.092 0.000 -5.274) 15.987 4.338 ( 0.585 0.000 4.742) 4.778 4.358 ( 7.233 0.000 -4.514) 8.526 4.462 ( -7.282 0.000 13.585) 15.414 4.521 ( -2.362 0.000 -6.798) 7.196 4.592 ( -15.085 0.000 -3.193) 15.419 4.713 ( 0.724 0.000 0.212) 0.754 4.784 ( 0.549 0.000 -8.319) 8.337 4.823 ( -5.237 0.000 -0.020) 5.237 4.970 ( -1.877 0.000 5.474) 5.787 5.032 ( 6.169 0.000 -1.063) 6.260 5.077 ( -5.547 0.000 1.654) 5.788 5.108 ( -14.792 0.000 -0.727) 14.810 5.235 ( 0.586 0.000 8.572) 8.592 5.409 ( 11.884 0.000 -6.771) 13.678 5.446 ( 7.097 0.000 8.162) 10.816 5.574 ( 5.927 0.000 -3.284) 6.776 5.711 ( -1.941 0.000 2.290) 3.002 5.782 ( -5.782 0.000 1.373) 5.943 6.037 ( 6.922 0.000 4.022) 8.006 6.132 ( -4.699 0.000 3.166) 5.666 6.153 ( 4.705 0.000 -5.281) 7.073 6.287 ( 0.708 0.000 6.927) 6.963 6.385 ( 2.167 0.000 2.997) 3.698 6.493 ( 9.862 0.000 9.154) 13.456 6.506 ( -5.420 0.000 -1.312) 5.577 6.612 ( 0.371 0.000 0.826) 0.906 6.646 ( -3.014 0.000 -6.417) 7.090 6.751 ( 15.188 0.000 17.569) 23.224 6.879 ( -7.702 0.000 -8.216) 11.261 6.993 ( 1.320 0.000 3.801) 4.024 7.130 ( -2.146 0.000 -2.614) 3.382 7.223 ( -10.047 0.000 -4.251) 10.910 7.269 ( -0.979 0.000 -9.706) 9.755 7.525 ( 0.764 0.000 7.742) 7.780 7.622 ( -1.318 0.000 -5.124) 5.291 7.625 ( -5.656 0.000 -7.498) 9.393 7.735 ( -2.497 0.000 -6.594) 7.051 7.786 ( 4.485 0.000 6.474) 7.876 7.820 ( -5.087 0.000 -2.558) 5.694 7.917 ( -1.336 0.000 -3.449) 3.698 7.952 ( 1.291 0.000 -4.958) 5.123 8.046 ( -5.789 0.000 -2.286) 6.224 8.160 ( -0.401 0.000 -4.312) 4.331 8.233 ( -3.822 0.000 -0.410) 3.844 8.243 ( -1.688 0.000 -2.004) 2.620 8.332 ( -0.497 0.000 2.818) 2.862 8.419 ( -4.945 0.000 4.924) 6.978 8.434 ( 1.614 0.000 2.550) 3.018 8.478 ( 3.194 0.000 -2.607) 4.122 8.585 ( 2.613 0.000 0.232) 2.623 8.710 ( 8.540 0.000 -2.311) 8.847 8.749 ( -2.616 0.000 4.466) 5.176 8.794 ( 2.616 0.000 -7.691) 8.123 8.861 ( 2.825 0.000 2.435) 3.729 8.873 ( 4.348 0.000 -1.847) 4.724 9.035 ( 1.369 0.000 5.286) 5.461 9.204 ( -2.963 0.000 2.842) 4.106 9.295 ( 5.077 0.000 -0.777) 5.136 9.398 ( 0.046 0.000 -2.600) 2.601 9.455 ( -6.508 0.000 4.497) 7.911 9.465 ( -12.174 0.000 4.321) 12.918 9.571 ( -1.733 0.000 0.232) 1.749 9.657 ( 1.577 0.000 -2.309) 2.796 9.658 ( -3.571 0.000 -0.403) 3.594 9.721 ( 2.492 0.000 -4.551) 5.188 9.877 ( 6.526 0.000 1.656) 6.733 9.900 ( 1.471 0.000 1.329) 1.983 9.962 ( 1.228 0.000 1.066) 1.626 9.989 ( -6.336 0.000 7.980) 10.189 9.994 ( 0.399 0.000 -1.478) 1.531 10.103 ( 5.314 0.000 -2.541) 5.890 10.242 ( 1.270 0.000 -2.691) 2.976 10.298 ( 3.709 0.000 6.632) 7.598 10.481 ( -0.494 0.000 1.229) 1.324 10.525 ( -0.409 0.000 -2.415) 2.449 10.738 ( -7.544 0.000 3.210) 8.198 10.811 ( -1.714 0.000 -0.631) 1.826 10.890 ( 7.036 0.000 -5.988) 9.239 11.073 ( 3.512 0.000 -3.832) 5.198 11.081 ( 4.616 0.000 2.350) 5.180 11.207 ( 0.612 0.000 1.971) 2.063 11.235 ( -2.886 0.000 0.639) 2.956 11.334 ( 0.996 0.000 0.510) 1.119 11.498 ( -1.898 0.000 2.700) 3.300 11.863 ( -4.302 0.000 -1.183) 4.462 11.977 ( 0.415 0.000 1.236) 1.304 12.053 ( -1.656 0.000 -1.051) 1.962 12.060 ( -0.915 0.000 0.209) 0.939 12.136 ( 2.011 0.000 -4.162) 4.622 12.199 ( -2.786 0.000 -4.620) 5.395 12.379 ( -3.102 0.000 -4.459) 5.432 12.524 ( 6.401 0.000 -6.393) 9.046 12.548 ( 3.381 0.000 -9.472) 10.057 12.663 ( -1.740 0.000 0.558) 1.827 12.683 ( 1.324 0.000 2.708) 3.014 12.783 ( 1.316 0.000 -2.327) 2.674 12.835 ( -0.597 0.000 -2.447) 2.519 12.909 ( 2.012 0.000 -2.961) 3.580 12.987 ( -1.152 0.000 -1.943) 2.259 13.041 ( -2.247 0.000 -6.721) 7.086 13.327 ( 4.317 0.000 -0.568) 4.355 13.362 ( -4.779 0.000 -9.592) 10.716 13.662 ( -5.858 0.000 -3.806) 6.986 13.699 ( 2.179 0.000 -12.625) 12.812 13.874 ( 13.621 0.000 -23.240) 26.937 14.871 ( -1.071 0.000 3.400) 3.565 15.034 ( -2.537 0.000 2.325) 3.441 15.164 ( -1.117 0.000 0.985) 1.489 15.303 ( -20.791 0.000 8.053) 22.296 15.681 ( -4.808 0.000 5.855) 7.576 15.800 ( -5.743 0.000 8.241) 10.045 15.903 ( 1.653 0.000 6.958) 7.152 16.004 ( 0.373 0.000 0.673) 0.770 16.109 ( 8.465 0.000 2.842) 8.930 16.166 ( 5.052 0.000 1.089) 5.168 16.317 ( -1.701 0.000 1.718) 2.417 16.398 ( 1.960 0.000 4.725) 5.116 16.460 ( 2.599 0.000 0.070) 2.600 16.538 ( -3.639 0.000 0.865) 3.740 16.581 ( 7.848 0.000 2.309) 8.180 16.836 ( -0.141 0.000 2.798) 2.802 16.970 ( 0.465 0.000 -0.791) 0.918 17.079 ( -1.614 0.000 1.976) 2.551 17.126 ( -2.864 0.000 -3.796) 4.755 17.129 ( -0.062 0.000 -4.057) 4.058 17.256 ( -1.457 0.000 -3.852) 4.118 17.271 ( -2.454 0.000 -1.705) 2.988 17.411 ( -1.501 0.000 -3.151) 3.490 17.519 ( -1.719 0.000 2.375) 2.932 17.624 ( 0.418 0.000 7.295) 7.307 17.696 ( 2.566 0.000 2.020) 3.266 17.845 ( 2.013 0.000 5.788) 6.128 17.869 ( 0.538 0.000 1.105) 1.229 18.269 ( 0.914 0.000 -1.450) 1.713 18.290 ( 5.962 0.000 -0.247) 5.967 18.405 ( 1.664 0.000 4.485) 4.784 18.549 ( 4.332 0.000 -5.113) 6.701 18.623 ( 1.430 0.000 6.641) 6.793 18.747 ( 2.058 0.000 6.293) 6.622 18.954 ( -4.682 0.000 -2.963) 5.541 19.071 ( -5.732 0.000 -1.709) 5.981 19.190 ( -1.078 0.000 -2.710) 2.916 19.191 ( 4.385 0.000 3.119) 5.381 19.454 ( -3.264 0.000 0.247) 3.273 19.520 ( -4.780 0.000 -6.885) 8.382 27.178 ( 0.188 0.000 -2.718) 2.724 27.260 ( 2.360 0.000 -3.845) 4.511 27.262 ( -0.442 0.000 -0.337) 0.556 27.565 ( 3.898 0.000 -2.137) 4.445 27.716 ( 0.779 0.000 7.014) 7.057 27.766 ( -3.461 0.000 2.413) 4.219 27.936 ( 2.327 0.000 3.134) 3.903 27.956 ( -2.380 0.000 -3.592) 4.309 28.191 ( 0.040 0.000 -2.417) 2.418 28.296 ( 4.095 0.000 -2.043) 4.576 28.410 ( -0.871 0.000 5.348) 5.419 28.665 ( -5.124 0.000 -1.415) 5.316 28.929 ( -4.454 0.000 6.404) 7.801 28.957 ( -2.078 0.000 0.529) 2.144 29.055 ( -0.427 0.000 2.011) 2.056 29.099 ( 0.816 0.000 0.209) 0.842 29.195 ( -0.334 0.000 3.346) 3.362 29.360 ( -1.002 0.000 1.390) 1.713 29.368 ( 2.025 0.000 -1.146) 2.327 29.452 ( -0.497 0.000 -0.732) 0.885 29.846 ( -2.433 0.000 5.978) 6.454 29.948 ( -1.690 0.000 5.508) 5.762 30.161 ( 4.171 0.000 -6.458) 7.688 30.344 ( -0.924 0.000 0.233) 0.953 30.621 ( -0.835 0.000 5.537) 5.599 30.851 ( -4.507 0.000 1.184) 4.660 31.015 ( 8.166 0.000 2.250) 8.470 31.146 ( 5.046 0.000 -1.261) 5.202 31.254 ( 3.902 0.000 3.117) 4.994 31.318 ( -0.049 0.000 1.352) 1.353 31.497 ( -3.316 0.000 5.846) 6.721 31.506 ( -0.378 0.000 -2.053) 2.088 31.727 ( -0.393 0.000 1.249) 1.310 31.752 ( 0.289 0.000 0.451) 0.536 31.866 ( -1.467 0.000 6.172) 6.344 31.871 ( -3.419 0.000 0.777) 3.506 31.968 ( 1.897 0.000 6.988) 7.241 32.025 ( -0.757 0.000 4.266) 4.333 32.156 ( -5.631 0.000 -2.419) 6.128 32.297 ( -1.234 0.000 -1.939) 2.298 33.515 ( 7.663 0.000 0.483) 7.678 33.907 ( -0.299 0.000 1.905) 1.928 34.204 ( 9.244 0.000 -9.325) 13.130 35.135 ( -0.031 0.000 -26.867) 26.867 36.040 ( 5.391 0.000 2.732) 6.044 36.494 ( 0.654 0.000 -1.483) 1.621 36.885 ( -4.417 0.000 -6.865) 8.163 36.887 ( -2.155 0.000 -10.046) 10.275 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 14.516 0.000 16.747) 22.163 1.698 ( -3.308 0.000 12.934) 13.350 2.017 ( 4.399 0.000 18.158) 18.683 2.072 ( 9.895 0.000 5.310) 11.230 2.167 ( -6.659 0.000 9.124) 11.296 2.354 ( 10.462 0.000 10.383) 14.739 2.490 ( -2.479 0.000 -0.130) 2.483 2.557 ( 5.855 0.000 6.857) 9.016 2.665 ( 2.191 0.000 8.087) 8.379 2.712 ( -6.472 0.000 6.981) 9.520 2.818 ( -4.430 0.000 2.836) 5.260 2.958 ( 7.401 0.000 2.777) 7.905 3.116 ( 19.252 0.000 4.428) 19.755 3.155 ( 0.536 0.000 -7.448) 7.467 3.335 ( -0.910 0.000 -2.628) 2.781 3.380 ( 8.201 0.000 0.738) 8.234 3.498 ( -8.878 0.000 2.718) 9.285 3.669 ( -2.464 0.000 -1.230) 2.754 3.687 ( -8.754 0.000 -1.596) 8.899 3.840 ( 9.419 0.000 -12.686) 15.801 3.918 ( -19.614 0.000 -9.716) 21.888 3.936 ( 13.571 0.000 1.943) 13.710 4.119 ( 4.213 0.000 4.964) 6.511 4.336 ( -10.789 0.000 -3.895) 11.470 4.386 ( -5.579 0.000 -5.982) 8.180 4.411 ( 1.339 0.000 4.589) 4.780 4.565 ( 2.328 0.000 -4.032) 4.656 4.587 ( 2.037 0.000 -7.796) 8.058 4.633 ( 0.020 0.000 -4.917) 4.917 4.663 ( 6.721 0.000 -0.794) 6.768 4.847 ( -8.999 0.000 4.481) 10.053 4.934 ( 9.701 0.000 -2.858) 10.113 5.070 ( 4.825 0.000 -10.243) 11.323 5.127 ( 4.786 0.000 -9.378) 10.529 5.156 ( 5.534 0.000 -2.916) 6.255 5.263 ( -3.661 0.000 8.302) 9.074 5.468 ( -0.891 0.000 -2.214) 2.387 5.519 ( 3.985 0.000 5.930) 7.144 5.662 ( -0.774 0.000 -2.980) 3.079 5.753 ( -0.518 0.000 3.417) 3.456 5.876 ( 11.905 0.000 -8.981) 14.913 5.939 ( -10.838 0.000 4.338) 11.674 6.032 ( -0.732 0.000 -0.224) 0.765 6.207 ( -10.558 0.000 0.694) 10.581 6.215 ( 3.491 0.000 -4.769) 5.910 6.347 ( -11.031 0.000 -5.547) 12.347 6.523 ( 2.306 0.000 -1.886) 2.980 6.567 ( -2.786 0.000 5.166) 5.869 6.626 ( -4.808 0.000 -9.682) 10.810 6.629 ( 4.534 0.000 2.621) 5.237 6.760 ( 6.536 0.000 3.722) 7.522 6.818 ( -8.515 0.000 8.605) 12.106 6.952 ( -9.284 0.000 -8.464) 12.563 7.112 ( -1.755 0.000 -2.744) 3.257 7.155 ( 7.463 0.000 14.055) 15.913 7.250 ( 2.164 0.000 -5.599) 6.003 7.436 ( -7.495 0.000 -4.553) 8.770 7.572 ( -1.403 0.000 -1.620) 2.144 7.595 ( 4.321 0.000 6.729) 7.997 7.693 ( -3.421 0.000 1.429) 3.708 7.777 ( 1.169 0.000 2.013) 2.328 7.835 ( -0.532 0.000 4.348) 4.381 7.960 ( 3.339 0.000 1.243) 3.563 7.976 ( 2.446 0.000 4.239) 4.894 8.063 ( 2.765 0.000 3.265) 4.279 8.151 ( -1.490 0.000 1.087) 1.845 8.212 ( -1.004 0.000 -0.663) 1.203 8.256 ( 6.192 0.000 -0.560) 6.217 8.297 ( -3.309 0.000 6.415) 7.218 8.382 ( 4.324 0.000 -5.030) 6.633 8.395 ( -5.721 0.000 3.469) 6.690 8.518 ( 1.516 0.000 1.989) 2.501 8.652 ( 0.766 0.000 -3.038) 3.133 8.678 ( -2.946 0.000 4.103) 5.051 8.750 ( -7.690 0.000 3.182) 8.322 8.760 ( -1.371 0.000 4.949) 5.136 8.907 ( -0.770 0.000 3.574) 3.656 9.050 ( 8.641 0.000 4.640) 9.808 9.109 ( 8.328 0.000 0.672) 8.355 9.113 ( -7.489 0.000 -0.061) 7.489 9.265 ( -2.666 0.000 1.561) 3.089 9.282 ( 0.234 0.000 7.289) 7.293 9.382 ( 0.375 0.000 0.035) 0.376 9.426 ( -2.317 0.000 4.846) 5.371 9.528 ( -2.844 0.000 -3.912) 4.836 9.591 ( -1.387 0.000 4.392) 4.606 9.684 ( -0.715 0.000 2.538) 2.637 9.726 ( 0.559 0.000 -1.374) 1.484 9.879 ( -1.153 0.000 -0.557) 1.280 9.921 ( -1.909 0.000 3.426) 3.922 9.980 ( 3.094 0.000 -5.949) 6.706 10.007 ( 0.485 0.000 2.188) 2.242 10.030 ( 1.742 0.000 3.029) 3.495 10.167 ( 0.243 0.000 -0.035) 0.245 10.282 ( 3.037 0.000 -7.786) 8.357 10.373 ( 0.204 0.000 5.847) 5.850 10.474 ( 3.322 0.000 5.625) 6.532 10.606 ( 6.616 0.000 -3.487) 7.479 10.712 ( 3.901 0.000 1.546) 4.197 10.718 ( -4.086 0.000 0.913) 4.187 10.989 ( -0.972 0.000 0.335) 1.028 11.037 ( -5.777 0.000 -1.716) 6.026 11.123 ( 1.658 0.000 -4.622) 4.910 11.210 ( -1.410 0.000 -3.575) 3.843 11.292 ( 6.831 0.000 1.215) 6.938 11.366 ( 2.302 0.000 3.168) 3.916 11.496 ( 2.774 0.000 5.085) 5.792 11.753 ( -6.993 0.000 1.560) 7.165 11.985 ( -2.500 0.000 -8.734) 9.084 12.021 ( -2.296 0.000 -8.826) 9.120 12.044 ( 4.429 0.000 -0.912) 4.522 12.162 ( 0.585 0.000 -3.858) 3.902 12.215 ( 1.736 0.000 -0.889) 1.951 12.324 ( -3.120 0.000 -4.993) 5.888 12.581 ( 1.184 0.000 -3.195) 3.408 12.610 ( 1.442 0.000 -3.985) 4.238 12.661 ( -0.448 0.000 -0.614) 0.760 12.669 ( 1.583 0.000 -3.563) 3.899 12.782 ( -4.156 0.000 -1.703) 4.491 12.834 ( -0.169 0.000 -2.218) 2.224 12.920 ( 0.422 0.000 -1.740) 1.791 12.948 ( -5.299 0.000 -2.388) 5.812 13.029 ( 3.081 0.000 2.523) 3.982 13.182 ( -8.671 0.000 -3.905) 9.510 13.414 ( 3.952 0.000 1.101) 4.102 13.533 ( -5.426 0.000 -0.071) 5.427 13.753 ( 3.735 0.000 -18.295) 18.673 13.970 ( -3.148 0.000 -26.215) 26.404 14.862 ( 0.242 0.000 3.450) 3.458 14.934 ( -5.376 0.000 3.184) 6.248 15.103 ( -2.304 0.000 3.524) 4.210 15.126 ( -2.399 0.000 0.373) 2.427 15.648 ( 1.567 0.000 -4.528) 4.792 15.726 ( -1.931 0.000 1.593) 2.503 15.944 ( 2.042 0.000 5.715) 6.069 16.006 ( -0.699 0.000 -3.336) 3.409 16.249 ( 3.629 0.000 2.840) 4.608 16.289 ( 6.912 0.000 -1.282) 7.030 16.365 ( 2.380 0.000 1.430) 2.776 16.421 ( 0.512 0.000 7.357) 7.375 16.502 ( 3.797 0.000 -0.989) 3.924 16.553 ( 6.260 0.000 1.453) 6.427 16.750 ( 8.473 0.000 0.161) 8.475 16.867 ( 1.279 0.000 -2.785) 3.064 16.953 ( -1.459 0.000 2.498) 2.893 16.982 ( -7.008 0.000 -7.841) 10.516 17.078 ( -2.678 0.000 2.276) 3.515 17.104 ( -4.875 0.000 -0.878) 4.953 17.202 ( -1.860 0.000 -1.059) 2.140 17.239 ( -0.808 0.000 -3.430) 3.524 17.405 ( 0.691 0.000 -2.403) 2.500 17.457 ( -3.328 0.000 -0.346) 3.346 17.671 ( 3.651 0.000 9.979) 10.626 17.755 ( 2.350 0.000 2.937) 3.762 17.839 ( -1.174 0.000 5.808) 5.925 17.870 ( -0.573 0.000 0.677) 0.887 18.311 ( 3.088 0.000 -0.846) 3.202 18.381 ( 1.857 0.000 -0.651) 1.968 18.443 ( 3.787 0.000 4.659) 6.004 18.592 ( -0.749 0.000 -4.219) 4.285 18.686 ( 4.361 0.000 2.274) 4.919 18.823 ( 5.165 0.000 5.408) 7.478 18.901 ( -0.557 0.000 -3.156) 3.205 18.943 ( -6.932 0.000 -0.932) 6.994 19.135 ( -3.663 0.000 -2.133) 4.239 19.211 ( -3.028 0.000 5.027) 5.869 19.399 ( -1.191 0.000 1.743) 2.111 19.439 ( -2.938 0.000 -1.463) 3.282 27.193 ( 1.282 0.000 -3.736) 3.950 27.247 ( -1.049 0.000 -2.074) 2.325 27.320 ( 3.858 0.000 -2.297) 4.491 27.535 ( -6.070 0.000 -0.414) 6.084 27.725 ( 0.441 0.000 3.581) 3.608 27.732 ( 0.759 0.000 6.325) 6.370 27.962 ( 1.592 0.000 3.832) 4.150 27.977 ( 1.517 0.000 6.448) 6.624 28.228 ( 3.870 0.000 -2.448) 4.579 28.379 ( 4.173 0.000 -0.641) 4.222 28.418 ( -0.545 0.000 1.538) 1.632 28.530 ( -6.872 0.000 -0.917) 6.932 28.891 ( -0.618 0.000 1.870) 1.969 28.915 ( -1.940 0.000 0.063) 1.941 29.040 ( -0.990 0.000 -0.423) 1.076 29.068 ( -2.982 0.000 -1.185) 3.209 29.226 ( 3.066 0.000 1.675) 3.494 29.334 ( -1.796 0.000 0.062) 1.797 29.393 ( 1.156 0.000 -0.192) 1.172 29.435 ( -1.104 0.000 0.995) 1.486 29.843 ( 1.005 0.000 4.016) 4.140 29.910 ( -2.059 0.000 3.346) 3.928 30.212 ( 1.903 0.000 -6.722) 6.986 30.308 ( -2.670 0.000 -3.068) 4.067 30.651 ( 2.926 0.000 9.390) 9.835 30.774 ( -3.361 0.000 6.483) 7.303 31.167 ( 7.730 0.000 3.859) 8.639 31.232 ( 3.323 0.000 -0.247) 3.332 31.301 ( 1.112 0.000 3.911) 4.066 31.328 ( 1.498 0.000 5.311) 5.518 31.447 ( -2.037 0.000 7.601) 7.869 31.474 ( -3.374 0.000 2.496) 4.196 31.729 ( 0.406 0.000 -0.369) 0.549 31.747 ( -1.419 0.000 0.496) 1.503 31.830 ( -0.034 0.000 1.312) 1.313 31.838 ( -0.971 0.000 4.890) 4.986 31.991 ( -2.344 0.000 3.735) 4.409 32.007 ( -0.091 0.000 2.947) 2.948 32.052 ( -1.666 0.000 0.955) 1.920 32.231 ( -4.995 0.000 0.311) 5.005 33.691 ( 9.213 0.000 -1.398) 9.319 33.895 ( -1.390 0.000 -0.572) 1.503 34.438 ( 14.093 0.000 -11.878) 18.431 35.000 ( -11.985 0.000 -22.498) 25.491 36.187 ( 9.378 0.000 -0.312) 9.383 36.499 ( -1.793 0.000 -4.101) 4.476 36.784 ( -4.363 0.000 -7.674) 8.828 36.830 ( -3.447 0.000 -9.966) 10.546 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.194 0.000 14.507) 14.508 1.582 ( 0.194 0.000 14.507) 14.508 2.106 ( -6.805 0.000 7.680) 10.261 2.106 ( 6.805 0.000 7.680) 10.261 2.332 ( -4.400 0.000 14.555) 15.205 2.332 ( 4.400 0.000 14.555) 15.205 2.578 ( -0.448 0.000 6.731) 6.746 2.578 ( 0.448 0.000 6.731) 6.746 2.669 ( -4.129 0.000 3.909) 5.685 2.669 ( 4.129 0.000 3.909) 5.685 2.860 ( -18.284 0.000 0.775) 18.300 2.860 ( 18.284 0.000 0.775) 18.300 3.180 ( -0.061 0.000 -2.752) 2.753 3.180 ( 0.062 0.000 -2.752) 2.753 3.301 ( -1.117 0.000 3.254) 3.440 3.301 ( 1.117 0.000 3.254) 3.440 3.536 ( -0.235 0.000 -4.103) 4.110 3.536 ( 0.235 0.000 -4.103) 4.110 3.759 ( -10.316 0.000 -0.782) 10.346 3.759 ( 10.316 0.000 -0.782) 10.346 4.097 ( -4.901 0.000 1.237) 5.055 4.097 ( 4.901 0.000 1.237) 5.055 4.182 ( -3.101 0.000 -11.142) 11.565 4.182 ( 3.101 0.000 -11.142) 11.565 4.401 ( -3.935 0.000 -8.628) 9.483 4.401 ( 3.935 0.000 -8.628) 9.483 4.592 ( -6.911 0.000 -1.709) 7.119 4.592 ( 6.911 0.000 -1.709) 7.119 4.645 ( -3.659 0.000 1.903) 4.124 4.645 ( 3.659 0.000 1.903) 4.124 4.957 ( -0.007 0.000 -13.386) 13.386 4.957 ( 0.007 0.000 -13.386) 13.386 5.095 ( -11.802 0.000 -4.523) 12.639 5.095 ( 11.802 0.000 -4.523) 12.639 5.353 ( -0.306 0.000 0.782) 0.839 5.353 ( 0.306 0.000 0.782) 0.839 5.462 ( -13.715 0.000 -3.390) 14.128 5.462 ( 13.715 0.000 -3.390) 14.128 5.571 ( -1.791 0.000 -4.128) 4.500 5.571 ( 1.791 0.000 -4.128) 4.500 5.928 ( -0.859 0.000 7.232) 7.283 5.928 ( 0.859 0.000 7.232) 7.283 6.053 ( -2.350 0.000 1.334) 2.702 6.053 ( 2.350 0.000 1.334) 2.702 6.242 ( -4.470 0.000 -12.903) 13.656 6.242 ( 4.470 0.000 -12.903) 13.656 6.512 ( -0.062 0.000 -2.750) 2.751 6.512 ( 0.062 0.000 -2.750) 2.751 6.636 ( -4.111 0.000 1.598) 4.410 6.636 ( 4.111 0.000 1.598) 4.410 6.777 ( -2.882 0.000 3.826) 4.790 6.777 ( 2.882 0.000 3.826) 4.790 7.035 ( -10.815 0.000 -4.404) 11.677 7.035 ( 10.815 0.000 -4.404) 11.677 7.177 ( -7.250 0.000 5.170) 8.904 7.177 ( 7.250 0.000 5.170) 8.904 7.505 ( -2.640 0.000 5.856) 6.423 7.505 ( 2.640 0.000 5.856) 6.423 7.655 ( -0.119 0.000 -2.976) 2.979 7.655 ( 0.119 0.000 -2.976) 2.979 7.818 ( -0.511 0.000 8.047) 8.063 7.818 ( 0.511 0.000 8.047) 8.063 8.013 ( -0.615 0.000 6.360) 6.390 8.013 ( 0.615 0.000 6.360) 6.390 8.101 ( -4.038 0.000 4.945) 6.384 8.101 ( 4.038 0.000 4.945) 6.384 8.217 ( -2.347 0.000 -1.144) 2.611 8.217 ( 2.347 0.000 -1.144) 2.611 8.367 ( -2.247 0.000 3.000) 3.748 8.367 ( 2.247 0.000 3.000) 3.748 8.479 ( -6.071 0.000 -3.456) 6.986 8.479 ( 6.071 0.000 -3.456) 6.986 8.579 ( -4.600 0.000 6.570) 8.020 8.579 ( 4.600 0.000 6.570) 8.020 8.727 ( -0.470 0.000 1.243) 1.329 8.727 ( 0.470 0.000 1.243) 1.329 8.948 ( -2.691 0.000 4.202) 4.990 8.948 ( 2.691 0.000 4.202) 4.990 9.170 ( -0.372 0.000 6.719) 6.729 9.170 ( 0.372 0.000 6.719) 6.729 9.332 ( -0.061 0.000 -1.545) 1.546 9.332 ( 0.061 0.000 -1.545) 1.546 9.409 ( -2.634 0.000 2.121) 3.382 9.409 ( 2.634 0.000 2.121) 3.382 9.492 ( -5.875 0.000 9.379) 11.067 9.492 ( 5.875 0.000 9.379) 11.067 9.715 ( -1.753 0.000 -2.638) 3.167 9.715 ( 1.753 0.000 -2.638) 3.167 9.881 ( -0.316 0.000 -0.236) 0.395 9.881 ( 0.316 0.000 -0.236) 0.395 9.997 ( -0.046 0.000 -0.982) 0.983 9.997 ( 0.046 0.000 -0.982) 0.983 10.103 ( -4.675 0.000 2.112) 5.130 10.103 ( 4.675 0.000 2.112) 5.130 10.340 ( -0.746 0.000 -0.884) 1.157 10.340 ( 0.746 0.000 -0.884) 1.157 10.576 ( -5.014 0.000 1.768) 5.317 10.576 ( 5.014 0.000 1.768) 5.317 10.792 ( -0.460 0.000 -1.570) 1.636 10.792 ( 0.460 0.000 -1.570) 1.636 10.924 ( -0.877 0.000 1.549) 1.780 10.924 ( 0.877 0.000 1.549) 1.780 11.169 ( -0.807 0.000 -5.301) 5.362 11.169 ( 0.807 0.000 -5.301) 5.362 11.382 ( -0.933 0.000 4.038) 4.144 11.382 ( 0.933 0.000 4.038) 4.144 11.607 ( -7.519 0.000 3.020) 8.103 11.607 ( 7.519 0.000 3.020) 8.103 11.970 ( -0.631 0.000 -10.620) 10.638 11.970 ( 0.631 0.000 -10.620) 10.638 12.147 ( -2.004 0.000 -3.836) 4.328 12.147 ( 2.004 0.000 -3.836) 4.328 12.248 ( -1.598 0.000 -4.972) 5.222 12.248 ( 1.598 0.000 -4.972) 5.222 12.606 ( -0.196 0.000 -1.499) 1.512 12.606 ( 0.196 0.000 -1.499) 1.512 12.700 ( -0.732 0.000 -1.649) 1.804 12.700 ( 0.732 0.000 -1.649) 1.804 12.726 ( -3.891 0.000 -2.735) 4.756 12.726 ( 3.891 0.000 -2.735) 4.756 12.934 ( -0.000 0.000 -1.478) 1.478 12.934 ( 0.000 0.000 -1.478) 1.478 13.076 ( -1.486 0.000 0.244) 1.506 13.076 ( 1.486 0.000 0.244) 1.506 13.468 ( -0.244 0.000 4.424) 4.431 13.468 ( 0.244 0.000 4.424) 4.431 13.857 ( -5.904 0.000 -25.059) 25.745 13.857 ( 5.904 0.000 -25.059) 25.745 14.877 ( -0.448 0.000 2.799) 2.835 14.877 ( 0.448 0.000 2.799) 2.835 15.091 ( -0.338 0.000 1.263) 1.308 15.091 ( 0.338 0.000 1.263) 1.308 15.695 ( -0.524 0.000 -3.983) 4.017 15.695 ( 0.524 0.000 -3.983) 4.017 15.979 ( -0.540 0.000 -1.056) 1.186 15.979 ( 0.540 0.000 -1.056) 1.186 16.310 ( -1.057 0.000 1.981) 2.245 16.310 ( 1.057 0.000 1.981) 2.245 16.405 ( -2.113 0.000 5.100) 5.520 16.405 ( 2.113 0.000 5.100) 5.520 16.627 ( -1.863 0.000 -1.405) 2.333 16.627 ( 1.863 0.000 -1.405) 2.333 16.860 ( -0.025 0.000 -5.353) 5.353 16.860 ( 0.025 0.000 -5.353) 5.353 16.918 ( -3.390 0.000 0.205) 3.396 16.918 ( 3.390 0.000 0.205) 3.396 17.018 ( -1.095 0.000 2.153) 2.416 17.018 ( 1.095 0.000 2.153) 2.416 17.213 ( -1.102 0.000 -2.648) 2.868 17.213 ( 1.102 0.000 -2.648) 2.868 17.420 ( -0.158 0.000 -1.099) 1.110 17.420 ( 0.158 0.000 -1.099) 1.110 17.742 ( -1.631 0.000 8.397) 8.554 17.742 ( 1.631 0.000 8.397) 8.554 17.847 ( -0.687 0.000 0.936) 1.161 17.847 ( 0.687 0.000 0.936) 1.161 18.368 ( -0.635 0.000 0.795) 1.018 18.368 ( 0.635 0.000 0.795) 1.018 18.535 ( -3.936 0.000 -1.201) 4.115 18.535 ( 3.936 0.000 -1.201) 4.115 18.789 ( -6.292 0.000 -0.223) 6.296 18.789 ( 6.292 0.000 -0.223) 6.296 18.910 ( -0.007 0.000 0.799) 0.799 18.910 ( 0.007 0.000 0.799) 0.799 19.121 ( -3.205 0.000 0.805) 3.305 19.121 ( 3.205 0.000 0.805) 3.305 19.403 ( -0.420 0.000 2.752) 2.784 19.403 ( 0.420 0.000 2.752) 2.784 27.222 ( -1.100 0.000 -3.478) 3.647 27.222 ( 1.100 0.000 -3.478) 3.647 27.412 ( -5.195 0.000 -0.991) 5.289 27.412 ( 5.195 0.000 -0.991) 5.289 27.738 ( -0.028 0.000 4.985) 4.986 27.738 ( 0.028 0.000 4.985) 4.986 27.986 ( -0.095 0.000 7.366) 7.366 27.986 ( 0.095 0.000 7.366) 7.366 28.334 ( -5.773 0.000 -0.966) 5.854 28.334 ( 5.773 0.000 -0.966) 5.854 28.448 ( -2.273 0.000 -0.159) 2.279 28.448 ( 2.273 0.000 -0.159) 2.279 28.891 ( -0.107 0.000 0.038) 0.114 28.891 ( 0.107 0.000 0.038) 0.114 29.031 ( -0.430 0.000 -1.830) 1.880 29.031 ( 0.430 0.000 -1.830) 1.880 29.287 ( -2.410 0.000 0.164) 2.416 29.287 ( 2.410 0.000 0.164) 2.416 29.414 ( -1.015 0.000 1.059) 1.467 29.414 ( 1.015 0.000 1.059) 1.467 29.872 ( -1.454 0.000 2.929) 3.270 29.872 ( 1.454 0.000 2.929) 3.270 30.254 ( -2.540 0.000 -5.916) 6.439 30.254 ( 2.540 0.000 -5.916) 6.439 30.713 ( -2.993 0.000 10.352) 10.776 30.713 ( 2.993 0.000 10.352) 10.776 31.264 ( -0.098 0.000 0.485) 0.495 31.264 ( 0.098 0.000 0.485) 0.495 31.341 ( -3.029 0.000 6.646) 7.304 31.341 ( 3.029 0.000 6.646) 7.304 31.411 ( -0.082 0.000 6.671) 6.671 31.411 ( 0.082 0.000 6.671) 6.671 31.731 ( -0.000 0.000 -0.248) 0.248 31.731 ( 0.000 0.000 -0.248) 0.248 31.835 ( -0.006 0.000 3.121) 3.121 31.835 ( 0.006 0.000 3.121) 3.121 31.965 ( -0.070 0.000 1.671) 1.672 31.965 ( 0.070 0.000 1.671) 1.672 32.123 ( -5.502 0.000 1.988) 5.850 32.123 ( 5.502 0.000 1.988) 5.850 33.835 ( -5.142 0.000 -1.884) 5.476 33.835 ( 5.142 0.000 -1.884) 5.476 34.727 ( -15.127 0.000 -16.176) 22.147 34.727 ( 15.127 0.000 -16.176) 22.147 36.380 ( -9.538 0.000 -3.305) 10.094 36.380 ( 9.538 0.000 -3.305) 10.094 36.769 ( -2.190 0.000 -9.196) 9.453 36.769 ( 2.190 0.000 -9.196) 9.453 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 35.103 11.540) 36.951 0.999 ( 0.000 27.475 16.221) 31.906 1.821 ( 0.000 15.051 6.423) 16.364 1.957 ( 0.000 30.545 44.228) 53.751 2.166 ( 0.000 -18.056 9.255) 20.290 2.437 ( 0.000 -2.560 11.726) 12.002 2.457 ( 0.000 -8.554 2.807) 9.003 2.642 ( 0.000 0.799 2.214) 2.354 2.650 ( 0.000 -10.684 -2.658) 11.010 2.803 ( 0.000 -0.054 -6.660) 6.660 2.862 ( 0.000 7.224 2.327) 7.590 2.921 ( 0.000 -15.173 -5.512) 16.143 2.978 ( 0.000 -1.729 -4.712) 5.019 3.169 ( 0.000 -5.447 2.608) 6.040 3.248 ( 0.000 0.525 0.914) 1.054 3.292 ( 0.000 -1.021 6.594) 6.672 3.437 ( 0.000 0.048 6.952) 6.952 3.475 ( 0.000 -11.836 5.114) 12.894 3.644 ( 0.000 9.398 -7.639) 12.111 3.766 ( 0.000 0.925 -4.523) 4.616 3.899 ( 0.000 3.813 -3.932) 5.477 4.080 ( 0.000 2.929 -0.801) 3.037 4.187 ( 0.000 3.384 7.036) 7.807 4.364 ( 0.000 -7.309 5.458) 9.122 4.396 ( 0.000 2.176 6.260) 6.627 4.444 ( 0.000 -3.131 3.206) 4.481 4.675 ( 0.000 -0.253 8.502) 8.506 4.691 ( 0.000 5.702 -6.543) 8.679 4.780 ( 0.000 -1.266 -0.855) 1.527 4.781 ( 0.000 -3.781 4.988) 6.260 4.925 ( 0.000 -2.857 5.864) 6.524 4.937 ( 0.000 -2.901 2.219) 3.652 4.968 ( 0.000 -12.370 -2.316) 12.585 5.140 ( 0.000 2.798 7.508) 8.012 5.170 ( 0.000 18.522 -11.782) 21.952 5.282 ( 0.000 0.687 6.347) 6.384 5.360 ( 0.000 8.265 -2.772) 8.717 5.532 ( 0.000 2.992 2.187) 3.706 5.607 ( 0.000 -3.880 5.707) 6.901 5.687 ( 0.000 -5.851 11.942) 13.298 5.768 ( 0.000 4.974 6.783) 8.411 5.949 ( 0.000 3.192 -4.389) 5.427 6.109 ( 0.000 -1.958 2.462) 3.146 6.191 ( 0.000 1.874 -0.706) 2.002 6.242 ( 0.000 7.104 13.252) 15.036 6.285 ( 0.000 -6.714 -0.026) 6.714 6.364 ( 0.000 2.918 6.202) 6.854 6.501 ( 0.000 2.002 6.408) 6.713 6.586 ( 0.000 -2.318 -2.425) 3.355 6.749 ( 0.000 5.130 -1.414) 5.322 6.762 ( 0.000 -7.616 -13.030) 15.093 6.906 ( 0.000 2.204 1.804) 2.848 7.001 ( 0.000 -7.335 2.071) 7.622 7.016 ( 0.000 1.636 0.810) 1.826 7.281 ( 0.000 -5.681 -1.459) 5.865 7.362 ( 0.000 0.867 -9.818) 9.856 7.503 ( 0.000 1.635 -0.983) 1.907 7.540 ( 0.000 1.298 1.406) 1.913 7.632 ( 0.000 -9.098 -0.117) 9.099 7.709 ( 0.000 -0.414 -2.516) 2.550 7.823 ( 0.000 3.107 -2.621) 4.065 7.858 ( 0.000 1.465 -2.658) 3.035 7.956 ( 0.000 -4.121 -3.081) 5.146 8.047 ( 0.000 3.915 -6.246) 7.371 8.057 ( 0.000 0.199 -6.163) 6.167 8.229 ( 0.000 -3.105 -1.801) 3.590 8.242 ( 0.000 -3.659 -0.252) 3.667 8.289 ( 0.000 -1.588 -5.761) 5.976 8.313 ( 0.000 -1.316 2.386) 2.725 8.372 ( 0.000 6.063 -7.783) 9.866 8.382 ( 0.000 -4.392 -0.534) 4.425 8.493 ( 0.000 0.576 -4.850) 4.884 8.524 ( 0.000 2.028 -7.004) 7.291 8.608 ( 0.000 -0.888 -5.774) 5.842 8.687 ( 0.000 3.882 -5.861) 7.030 8.816 ( 0.000 -1.052 -0.910) 1.391 8.880 ( 0.000 1.785 1.468) 2.311 8.979 ( 0.000 4.733 3.651) 5.978 9.114 ( 0.000 3.758 3.751) 5.310 9.251 ( 0.000 -0.495 5.391) 5.414 9.297 ( 0.000 -1.642 -4.268) 4.573 9.422 ( 0.000 -6.606 -5.190) 8.401 9.443 ( 0.000 12.195 4.028) 12.842 9.521 ( 0.000 -1.187 4.790) 4.935 9.592 ( 0.000 -2.233 -3.462) 4.120 9.607 ( 0.000 -0.201 -2.914) 2.921 9.713 ( 0.000 3.257 -1.569) 3.616 9.810 ( 0.000 -1.442 6.879) 7.029 9.813 ( 0.000 3.445 -3.575) 4.965 9.858 ( 0.000 3.809 -3.863) 5.425 9.921 ( 0.000 1.250 9.589) 9.671 10.012 ( 0.000 2.101 5.141) 5.554 10.017 ( 0.000 -0.397 -4.505) 4.522 10.164 ( 0.000 1.329 4.317) 4.517 10.228 ( 0.000 1.791 1.762) 2.513 10.352 ( 0.000 3.927 6.044) 7.207 10.434 ( 0.000 -4.217 -0.750) 4.283 10.574 ( 0.000 -3.250 -1.553) 3.602 10.634 ( 0.000 -4.470 -0.270) 4.479 10.668 ( 0.000 -7.626 1.429) 7.759 10.892 ( 0.000 0.042 -1.047) 1.048 10.975 ( 0.000 -1.694 0.352) 1.730 11.150 ( 0.000 1.703 0.905) 1.928 11.207 ( 0.000 0.626 2.764) 2.834 11.325 ( 0.000 1.935 2.996) 3.567 11.338 ( 0.000 3.265 -2.116) 3.891 11.551 ( 0.000 5.316 -0.868) 5.386 11.809 ( 0.000 -4.883 -1.685) 5.165 11.938 ( 0.000 -3.717 2.748) 4.622 12.059 ( 0.000 -2.295 3.960) 4.577 12.197 ( 0.000 10.432 -6.104) 12.087 12.270 ( 0.000 -0.297 -10.713) 10.717 12.277 ( 0.000 10.214 -0.007) 10.214 12.394 ( 0.000 2.249 -3.310) 4.002 12.507 ( 0.000 2.500 -14.307) 14.523 12.530 ( 0.000 0.935 -3.090) 3.228 12.652 ( 0.000 3.018 -2.530) 3.938 12.709 ( 0.000 2.156 3.055) 3.739 12.768 ( 0.000 -3.917 0.144) 3.919 12.803 ( 0.000 -1.728 -1.081) 2.038 12.912 ( 0.000 -9.204 -6.604) 11.328 12.926 ( 0.000 -1.342 -2.387) 2.738 13.026 ( 0.000 -1.811 -2.553) 3.130 13.175 ( 0.000 -9.162 -7.641) 11.930 13.225 ( 0.000 -3.996 2.520) 4.724 13.446 ( 0.000 8.129 -21.124) 22.634 13.525 ( 0.000 -16.625 -2.392) 16.797 13.979 ( 0.000 2.863 -15.944) 16.199 14.896 ( 0.000 2.800 7.048) 7.584 15.012 ( 0.000 -2.066 4.241) 4.718 15.224 ( 0.000 2.272 0.926) 2.453 15.328 ( 0.000 -15.960 12.892) 20.516 15.759 ( 0.000 2.205 10.862) 11.083 15.849 ( 0.000 -2.028 3.557) 4.094 15.878 ( 0.000 -0.146 12.384) 12.385 15.973 ( 0.000 -1.544 5.397) 5.613 16.038 ( 0.000 -2.860 6.160) 6.791 16.097 ( 0.000 1.110 -2.118) 2.391 16.296 ( 0.000 -1.687 1.056) 1.990 16.372 ( 0.000 -1.304 -2.239) 2.591 16.429 ( 0.000 -1.307 3.119) 3.381 16.585 ( 0.000 0.673 7.332) 7.363 16.617 ( 0.000 8.444 3.310) 9.069 16.909 ( 0.000 1.396 2.973) 3.284 17.004 ( 0.000 0.718 2.791) 2.882 17.050 ( 0.000 -1.390 1.775) 2.255 17.161 ( 0.000 2.549 -1.407) 2.912 17.229 ( 0.000 2.321 -2.168) 3.176 17.291 ( 0.000 0.443 -1.058) 1.147 17.321 ( 0.000 4.145 -2.210) 4.698 17.420 ( 0.000 1.148 -3.309) 3.503 17.614 ( 0.000 -0.002 -4.272) 4.272 17.637 ( 0.000 -6.569 0.952) 6.638 17.661 ( 0.000 0.176 3.624) 3.628 17.808 ( 0.000 2.418 4.643) 5.235 17.867 ( 0.000 -0.397 2.342) 2.375 18.197 ( 0.000 0.760 1.687) 1.851 18.286 ( 0.000 -0.034 -3.271) 3.271 18.480 ( 0.000 -3.136 -2.209) 3.836 18.498 ( 0.000 3.031 -4.526) 5.448 18.575 ( 0.000 4.414 1.626) 4.704 18.724 ( 0.000 1.178 2.929) 3.157 19.029 ( 0.000 -0.325 -0.692) 0.765 19.064 ( 0.000 -1.530 -4.466) 4.721 19.193 ( 0.000 3.163 0.537) 3.209 19.195 ( 0.000 0.862 -4.842) 4.918 19.473 ( 0.000 -1.188 -0.901) 1.491 19.542 ( 0.000 -3.199 -8.100) 8.708 27.192 ( 0.000 0.974 -1.213) 1.556 27.239 ( 0.000 0.331 -4.448) 4.460 27.258 ( 0.000 -0.493 1.392) 1.476 27.388 ( 0.000 -4.612 4.011) 6.112 27.679 ( 0.000 0.637 2.634) 2.710 27.793 ( 0.000 0.540 0.948) 1.091 27.897 ( 0.000 -1.143 0.624) 1.302 28.035 ( 0.000 -0.271 -7.022) 7.028 28.231 ( 0.000 1.701 -2.866) 3.333 28.252 ( 0.000 1.026 -2.352) 2.566 28.401 ( 0.000 -3.327 6.814) 7.583 28.671 ( 0.000 -1.380 -2.593) 2.938 28.975 ( 0.000 -0.401 0.889) 0.975 29.016 ( 0.000 -1.016 9.663) 9.717 29.058 ( 0.000 -1.268 3.289) 3.525 29.129 ( 0.000 1.749 -1.796) 2.507 29.201 ( 0.000 -0.659 1.368) 1.518 29.260 ( 0.000 -1.602 3.268) 3.639 29.396 ( 0.000 1.676 3.212) 3.623 29.583 ( 0.000 5.546 -7.926) 9.673 29.982 ( 0.000 1.329 6.589) 6.722 30.043 ( 0.000 2.172 -0.193) 2.181 30.094 ( 0.000 6.703 -3.651) 7.633 30.345 ( 0.000 -0.498 0.951) 1.073 30.578 ( 0.000 -6.704 5.920) 8.943 30.850 ( 0.000 -0.130 -0.639) 0.652 30.905 ( 0.000 -0.813 0.542) 0.977 30.934 ( 0.000 -4.826 5.928) 7.644 31.316 ( 0.000 2.371 -4.057) 4.699 31.381 ( 0.000 3.931 3.383) 5.187 31.407 ( 0.000 -5.144 -2.186) 5.590 31.507 ( 0.000 -3.973 3.317) 5.176 31.733 ( 0.000 1.410 -0.560) 1.517 31.801 ( 0.000 -2.920 5.521) 6.246 31.824 ( 0.000 0.902 0.313) 0.954 31.961 ( 0.000 2.647 5.514) 6.117 32.005 ( 0.000 5.066 -1.828) 5.385 32.099 ( 0.000 4.483 4.543) 6.383 32.183 ( 0.000 -2.716 -2.266) 3.537 32.277 ( 0.000 -0.675 -2.991) 3.067 33.178 ( 0.000 -9.914 21.186) 23.391 33.910 ( 0.000 -0.190 2.921) 2.927 34.092 ( 0.000 -1.359 -7.907) 8.023 34.940 ( 0.000 -3.196 -8.001) 8.616 36.258 ( 0.000 10.886 -11.508) 15.841 36.471 ( 0.000 -2.145 -2.036) 2.958 36.898 ( 0.000 -0.623 -9.587) 9.607 36.928 ( 0.000 -0.107 -6.148) 6.149 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 17.912 16.274 11.456) 26.775 1.394 ( 34.410 12.695 7.104) 37.358 1.896 ( -4.670 -1.338 3.922) 6.243 2.011 ( 6.490 0.357 14.865) 16.224 2.191 ( 7.203 -1.122 17.970) 19.392 2.306 ( -15.853 1.526 10.564) 19.111 2.420 ( -6.616 -7.896 -2.503) 10.601 2.506 ( -1.206 -3.965 7.340) 8.430 2.658 ( -2.088 0.644 2.325) 3.191 2.717 ( -4.445 3.270 -0.381) 5.531 2.825 ( 0.981 -1.015 -2.032) 2.475 2.934 ( 2.603 -0.435 10.152) 10.490 3.025 ( 2.049 -0.150 -0.898) 2.242 3.153 ( -5.847 1.299 2.146) 6.362 3.235 ( 0.534 -3.999 3.260) 5.187 3.310 ( 4.584 -6.283 1.220) 7.872 3.454 ( 1.373 0.935 -4.844) 5.121 3.582 ( 9.676 2.560 3.167) 10.498 3.675 ( 3.317 2.621 2.419) 4.871 3.842 ( 3.385 -6.989 -1.409) 7.893 3.947 ( 3.149 0.513 -3.628) 4.832 4.163 ( 4.675 0.669 0.616) 4.763 4.180 ( 2.153 6.264 -9.588) 11.654 4.281 ( -1.608 -1.559 6.268) 6.656 4.423 ( 0.488 2.828 0.162) 2.874 4.510 ( -8.988 4.847 0.431) 10.220 4.599 ( 1.562 0.033 0.927) 1.817 4.658 ( -0.992 -2.225 3.181) 4.007 4.732 ( -1.399 -3.930 -1.970) 4.613 4.774 ( -2.676 1.934 1.357) 3.570 4.810 ( -3.437 4.402 2.695) 6.201 4.890 ( 0.754 -0.779 1.779) 2.083 5.074 ( 2.911 -0.448 -1.240) 3.196 5.135 ( -0.297 4.311 -2.143) 4.823 5.207 ( -3.160 4.708 4.381) 7.166 5.314 ( -13.685 2.205 5.192) 14.802 5.380 ( 11.597 -0.935 -2.600) 11.921 5.457 ( 6.794 4.697 5.196) 9.759 5.613 ( -0.000 3.385 5.239) 6.237 5.658 ( 1.525 -0.238 -2.850) 3.241 5.846 ( 0.044 3.732 2.748) 4.634 5.907 ( -4.250 -11.800 2.288) 12.749 6.076 ( -3.267 0.110 2.645) 4.205 6.176 ( -1.831 3.920 5.391) 6.913 6.262 ( 6.702 -4.243 -4.222) 8.986 6.332 ( 4.922 -1.376 2.739) 5.798 6.432 ( -0.424 -0.490 2.865) 2.938 6.569 ( 2.493 -0.329 2.024) 3.228 6.623 ( -5.748 0.719 -2.583) 6.343 6.714 ( 7.142 -0.280 4.728) 8.570 6.795 ( -3.030 -4.580 -2.198) 5.915 6.828 ( 5.166 8.243 3.031) 10.189 7.024 ( -0.373 -2.288 -0.182) 2.326 7.069 ( 2.095 -3.403 0.407) 4.017 7.235 ( -2.745 0.150 -0.476) 2.790 7.339 ( -5.253 -0.098 -12.138) 13.226 7.450 ( -4.147 -3.201 -1.004) 5.334 7.502 ( -3.902 -8.210 -2.952) 9.557 7.583 ( -3.706 -2.414 -1.800) 4.775 7.686 ( -4.497 -6.990 -7.053) 10.901 7.780 ( 0.264 -0.513 -0.578) 0.817 7.819 ( -3.788 2.578 -3.138) 5.553 7.860 ( -5.535 3.262 0.588) 6.452 8.002 ( -1.631 -3.125 -1.586) 3.865 8.054 ( -2.595 -1.171 -1.404) 3.174 8.136 ( 0.928 1.130 1.842) 2.351 8.166 ( -2.401 1.840 -1.310) 3.296 8.278 ( 0.750 -0.099 -3.076) 3.168 8.332 ( -1.659 -0.660 3.888) 4.278 8.429 ( -0.041 -0.088 -0.368) 0.380 8.487 ( 2.968 2.440 -2.630) 4.656 8.516 ( -0.539 4.712 0.289) 4.751 8.606 ( 6.886 -0.069 -2.061) 7.188 8.662 ( 4.491 0.651 -5.718) 7.300 8.765 ( 3.801 -0.089 -0.015) 3.802 8.807 ( -0.360 -0.259 1.346) 1.417 8.897 ( 3.715 3.830 -3.871) 6.592 9.008 ( 1.840 5.279 2.439) 6.099 9.129 ( 0.846 2.577 5.293) 5.948 9.205 ( -0.646 2.308 2.911) 3.771 9.308 ( -0.232 2.399 -2.063) 3.173 9.353 ( -9.792 -2.930 3.294) 10.738 9.463 ( -4.422 0.338 -0.187) 4.439 9.535 ( 0.531 -1.447 2.750) 3.153 9.548 ( -3.372 0.458 -0.664) 3.467 9.611 ( 5.445 1.476 2.151) 6.038 9.712 ( 2.001 0.466 -2.003) 2.870 9.774 ( -4.063 4.838 1.695) 6.541 9.863 ( 3.877 -1.142 1.047) 4.175 9.883 ( 3.764 1.890 1.316) 4.413 9.946 ( 1.780 1.545 -2.440) 3.392 10.028 ( -0.416 2.837 3.576) 4.583 10.062 ( 1.990 4.071 -2.170) 5.024 10.160 ( 3.887 0.703 0.536) 3.986 10.250 ( 0.903 2.252 0.886) 2.583 10.327 ( 1.915 1.179 4.196) 4.761 10.411 ( -1.811 -3.421 0.816) 3.956 10.552 ( -0.970 0.405 -0.982) 1.438 10.641 ( 0.761 -5.857 0.168) 5.908 10.760 ( 2.822 -5.187 -0.491) 5.925 10.864 ( 0.002 -0.805 -3.419) 3.513 10.967 ( 2.218 -2.814 1.844) 4.030 11.177 ( -0.220 0.001 0.432) 0.485 11.184 ( -1.301 -0.308 2.483) 2.821 11.294 ( -0.350 3.905 0.988) 4.044 11.355 ( 0.387 1.845 -0.016) 1.885 11.549 ( -0.010 5.405 0.357) 5.417 11.782 ( -1.375 -4.289 -0.150) 4.507 11.984 ( 3.042 -3.129 0.430) 4.385 12.023 ( -2.168 -1.486 -1.941) 3.267 12.118 ( -5.540 5.526 -6.335) 10.068 12.161 ( -4.524 4.526 -5.473) 8.420 12.338 ( 1.479 9.002 -2.389) 9.430 12.425 ( -3.337 3.056 -4.690) 6.517 12.500 ( 5.470 -0.329 -6.086) 8.189 12.580 ( 0.763 0.467 -5.963) 6.030 12.654 ( -1.106 0.470 -1.678) 2.064 12.711 ( 0.919 1.763 1.869) 2.729 12.746 ( 0.857 -2.049 -2.382) 3.256 12.827 ( -1.372 -5.810 -3.420) 6.880 12.903 ( 2.996 -0.974 -2.114) 3.794 12.965 ( -4.289 -3.093 -1.404) 5.472 13.006 ( 2.191 -0.635 -4.594) 5.129 13.197 ( 0.596 -12.605 -1.683) 12.731 13.254 ( 1.337 -6.351 -1.262) 6.612 13.400 ( -0.017 -8.811 -10.359) 13.599 13.654 ( 5.353 -3.660 -11.317) 13.043 13.961 ( -2.145 1.851 -14.917) 15.184 14.861 ( -2.945 1.050 7.874) 8.472 15.013 ( -1.676 -2.902 4.803) 5.857 15.126 ( -6.607 -0.584 5.837) 8.835 15.307 ( -2.500 -0.701 0.698) 2.689 15.653 ( -5.466 -1.829 4.590) 7.368 15.787 ( -5.692 -0.680 7.931) 9.786 15.927 ( 4.174 0.454 8.663) 9.627 15.986 ( 0.381 -2.216 3.298) 3.992 16.063 ( 7.570 -0.316 -0.675) 7.607 16.201 ( 5.130 0.112 3.033) 5.961 16.338 ( 2.858 1.670 1.364) 3.580 16.394 ( -0.175 -0.201 0.542) 0.604 16.447 ( 5.170 -0.021 -0.934) 5.253 16.570 ( -0.577 0.099 2.585) 2.651 16.645 ( 0.575 5.633 2.540) 6.206 16.852 ( -2.254 0.354 3.013) 3.779 16.980 ( -1.051 1.360 -0.739) 1.871 17.057 ( 0.354 -1.272 1.399) 1.924 17.136 ( -3.219 1.732 -2.888) 4.659 17.191 ( -1.636 3.461 -0.774) 3.906 17.259 ( -3.519 0.291 -1.540) 3.852 17.328 ( 0.355 2.438 -4.961) 5.539 17.416 ( -0.862 2.166 -1.042) 2.553 17.553 ( -4.256 1.179 -1.635) 4.710 17.602 ( -1.555 -2.584 -0.432) 3.047 17.710 ( 0.838 -6.991 5.439) 8.897 17.758 ( -0.416 2.232 5.900) 6.322 17.909 ( 1.756 0.196 3.245) 3.695 18.239 ( 2.075 -0.438 -0.959) 2.328 18.317 ( 3.993 0.828 -1.547) 4.361 18.457 ( 0.035 1.186 -3.532) 3.726 18.554 ( 4.101 -0.475 -0.237) 4.135 18.625 ( 3.291 4.458 1.794) 5.825 18.750 ( 1.992 0.352 3.727) 4.240 18.943 ( -3.723 0.750 -2.256) 4.418 19.082 ( -3.701 0.303 0.084) 3.714 19.156 ( -0.226 -1.215 -3.141) 3.375 19.224 ( 0.594 0.364 2.954) 3.035 19.436 ( -3.171 -0.712 -1.466) 3.565 19.505 ( -3.155 -1.715 -4.888) 6.066 27.183 ( -0.079 0.254 -2.156) 2.172 27.248 ( 0.672 0.115 -0.925) 1.149 27.279 ( 1.575 0.696 -2.619) 3.135 27.452 ( 3.673 -6.806 1.405) 7.861 27.701 ( 2.305 1.166 3.045) 3.993 27.803 ( 0.194 1.741 2.885) 3.375 27.903 ( 0.683 -1.328 3.958) 4.230 28.001 ( -2.402 0.703 -3.935) 4.663 28.191 ( -0.929 0.006 -2.049) 2.250 28.323 ( 4.397 1.991 -1.962) 5.211 28.396 ( 0.530 -1.300 3.464) 3.738 28.637 ( -4.486 -1.374 -1.848) 5.043 28.910 ( -4.303 -0.817 5.676) 7.169 28.979 ( -0.142 0.254 0.655) 0.717 29.052 ( -2.115 0.325 0.800) 2.285 29.135 ( 3.028 0.463 2.920) 4.231 29.210 ( -2.366 1.076 1.667) 3.088 29.351 ( 4.723 -1.168 -0.689) 4.913 29.377 ( -1.694 0.534 2.304) 2.909 29.470 ( -6.644 2.985 -2.758) 7.789 29.933 ( -3.443 5.382 3.490) 7.281 29.968 ( -1.427 1.594 5.035) 5.471 30.179 ( 2.695 1.429 -6.068) 6.792 30.341 ( -0.683 -0.252 0.124) 0.738 30.579 ( 1.513 -3.035 7.511) 8.241 30.823 ( -4.299 -2.181 2.237) 5.314 30.996 ( 7.952 -1.257 1.995) 8.294 31.040 ( 7.679 -4.534 2.553) 9.276 31.301 ( -2.885 0.043 -1.313) 3.170 31.346 ( 0.214 1.852 2.000) 2.734 31.418 ( -0.297 -2.912 3.020) 4.206 31.497 ( -0.936 -2.618 4.880) 5.616 31.720 ( -0.015 1.270 -0.036) 1.270 31.779 ( -1.619 -1.694 2.832) 3.676 31.846 ( 0.670 1.127 1.250) 1.812 31.937 ( -1.936 3.066 4.741) 5.969 32.002 ( -0.248 4.128 0.080) 4.137 32.094 ( -0.680 3.854 4.337) 5.842 32.146 ( -3.836 -0.428 -2.058) 4.374 32.287 ( -0.285 -1.026 -2.601) 2.811 33.354 ( 14.465 -9.048 9.098) 19.336 33.905 ( -0.384 -0.143 1.737) 1.785 34.186 ( 9.191 -1.393 -8.869) 12.848 35.016 ( 3.514 -5.510 -16.541) 17.785 36.204 ( -3.160 8.742 -5.730) 10.920 36.468 ( 0.571 -2.038 -1.573) 2.637 36.871 ( -3.172 -0.693 -8.767) 9.349 36.887 ( -3.752 -0.382 -7.514) 8.407 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.287 -1.393 7.683) 7.813 1.585 ( -21.738 -7.933 10.987) 25.616 1.831 ( 5.572 -12.721 5.931) 15.102 2.020 ( 1.185 -6.737 4.860) 8.391 2.233 ( 0.613 2.184 10.496) 10.739 2.307 ( 12.024 0.034 4.507) 12.841 2.496 ( 0.274 -3.226 -1.243) 3.468 2.521 ( 10.105 -5.123 -0.888) 11.364 2.584 ( -4.346 -7.368 8.058) 11.752 2.652 ( 2.923 0.307 4.842) 5.664 2.769 ( -2.140 1.320 -1.354) 2.856 3.008 ( -1.373 -3.958 0.464) 4.215 3.097 ( 10.190 2.493 14.895) 18.218 3.192 ( 3.437 -0.010 -7.720) 8.450 3.323 ( -0.289 -3.016 0.434) 3.061 3.387 ( 5.976 -1.211 6.250) 8.731 3.467 ( 4.356 0.853 4.341) 6.208 3.653 ( 7.851 5.927 -5.114) 11.087 3.826 ( 9.695 8.750 6.519) 14.596 3.980 ( -15.319 6.383 1.463) 16.660 4.035 ( -0.801 8.387 -6.389) 10.573 4.094 ( -7.439 7.224 -6.958) 12.487 4.121 ( 1.780 2.595 -5.229) 6.103 4.230 ( 0.070 1.477 3.789) 4.067 4.329 ( 4.289 -6.307 -8.396) 11.343 4.475 ( -3.323 3.389 -1.652) 5.026 4.541 ( -8.058 5.329 -2.204) 9.909 4.587 ( 6.178 3.381 -2.712) 7.547 4.715 ( -3.172 2.034 -0.378) 3.787 4.772 ( -10.301 -0.949 3.819) 11.027 4.859 ( 4.167 1.577 -0.554) 4.490 4.940 ( 8.467 -4.239 -2.612) 9.823 5.042 ( 10.682 -0.172 -9.578) 14.348 5.145 ( 1.535 10.400 -5.600) 11.911 5.250 ( 7.376 3.751 5.823) 10.118 5.320 ( 1.381 -0.414 0.593) 1.559 5.480 ( -4.585 -0.894 -3.974) 6.133 5.523 ( -2.587 -0.539 -1.362) 2.973 5.606 ( -2.165 1.264 3.992) 4.714 5.664 ( 3.024 -10.562 1.063) 11.037 5.789 ( -3.952 -0.251 -0.304) 3.971 5.955 ( 5.592 -2.094 -2.438) 6.450 6.002 ( -3.058 -2.192 1.681) 4.121 6.049 ( -2.025 -5.714 -3.022) 6.774 6.329 ( -6.243 -2.435 -6.410) 9.273 6.378 ( -0.300 -3.410 1.776) 3.856 6.463 ( 0.843 7.652 -0.573) 7.719 6.518 ( -1.243 3.166 3.665) 5.000 6.657 ( 0.624 1.193 -1.018) 1.688 6.700 ( 0.613 3.089 -3.972) 5.069 6.791 ( -1.232 1.161 -1.645) 2.360 6.851 ( 1.489 -0.333 2.822) 3.208 6.978 ( -10.603 0.507 -4.483) 11.523 7.122 ( -0.036 -1.264 1.176) 1.726 7.166 ( -0.982 -1.668 5.917) 6.225 7.227 ( -3.306 -3.376 -4.325) 6.406 7.395 ( 3.389 -2.124 2.018) 4.480 7.480 ( 1.256 -3.195 -0.725) 3.509 7.583 ( 5.311 -6.485 4.093) 9.328 7.660 ( -0.003 -1.283 -0.669) 1.447 7.727 ( -4.951 1.398 1.196) 5.281 7.793 ( 1.583 -3.055 0.276) 3.451 7.844 ( 2.387 -6.075 1.952) 6.813 7.947 ( -3.286 -2.100 3.277) 5.094 8.089 ( 1.661 -3.355 2.564) 4.537 8.150 ( -0.770 3.119 1.744) 3.655 8.179 ( 2.597 2.761 3.493) 5.155 8.265 ( -1.107 0.639 3.104) 3.357 8.294 ( 1.147 -0.513 -2.972) 3.227 8.386 ( -6.456 1.520 1.850) 6.886 8.457 ( -0.632 0.352 3.615) 3.687 8.522 ( -0.607 0.811 4.507) 4.619 8.612 ( -4.715 -0.468 -2.169) 5.211 8.682 ( -5.586 -4.917 0.222) 7.445 8.772 ( 1.887 1.836 0.432) 2.668 8.822 ( -0.583 5.007 3.833) 6.333 8.977 ( -3.205 2.103 2.628) 4.648 9.013 ( 3.274 0.635 2.677) 4.276 9.108 ( -7.643 -1.472 7.252) 10.638 9.182 ( 3.407 -1.700 4.191) 5.662 9.239 ( 0.250 6.385 1.427) 6.547 9.337 ( 1.766 3.879 3.129) 5.287 9.408 ( 3.203 1.622 0.935) 3.710 9.510 ( 0.552 0.947 -4.060) 4.206 9.529 ( -2.804 4.723 3.947) 6.764 9.646 ( 2.347 -0.296 0.904) 2.533 9.712 ( -3.405 4.979 -0.406) 6.045 9.782 ( -0.747 5.181 4.318) 6.786 9.900 ( 1.436 2.207 -2.024) 3.322 9.932 ( 2.293 0.568 0.101) 2.365 9.985 ( 1.201 3.398 -0.616) 3.657 10.029 ( 2.123 1.942 -1.932) 3.466 10.125 ( 1.996 5.974 0.184) 6.301 10.253 ( 0.859 1.367 -0.561) 1.709 10.276 ( 5.050 3.796 -3.074) 7.026 10.372 ( -0.760 -1.028 3.563) 3.785 10.439 ( 6.076 -2.274 4.071) 7.659 10.566 ( 2.142 -3.546 -2.101) 4.645 10.665 ( 0.411 -2.033 1.057) 2.328 10.748 ( 1.969 0.057 -1.706) 2.606 10.889 ( -0.099 -5.312 -1.754) 5.595 11.016 ( -1.079 -1.734 -1.854) 2.759 11.141 ( -1.902 0.520 -0.620) 2.067 11.170 ( 0.902 -2.102 3.802) 4.437 11.328 ( 2.014 2.050 -1.024) 3.051 11.367 ( 1.389 -0.145 1.729) 2.222 11.570 ( 2.784 6.292 2.412) 7.291 11.752 ( -2.867 -0.871 0.955) 3.145 11.971 ( -2.309 -1.145 -9.357) 9.705 12.012 ( -1.320 2.344 -5.394) 6.028 12.076 ( 2.416 -2.294 -3.146) 4.582 12.124 ( 0.506 3.051 -4.247) 5.254 12.309 ( -4.468 3.515 -4.138) 7.031 12.360 ( -3.537 3.511 -4.441) 6.676 12.546 ( 0.390 -1.482 -3.217) 3.563 12.599 ( 1.125 -1.451 -6.288) 6.551 12.663 ( 1.228 0.411 -3.246) 3.495 12.691 ( -0.328 -0.025 -0.613) 0.695 12.767 ( -2.701 -1.403 -2.244) 3.781 12.808 ( -1.141 -2.959 -1.078) 3.350 12.894 ( 0.079 -3.367 -1.742) 3.792 12.915 ( -0.751 -3.236 -0.550) 3.367 13.043 ( 0.755 1.222 0.052) 1.437 13.169 ( -3.422 -5.675 0.052) 6.628 13.270 ( 0.848 -5.459 -4.956) 7.422 13.469 ( 6.515 -5.819 -5.840) 10.508 13.676 ( -0.959 -7.187 -6.455) 9.708 13.854 ( -8.810 -2.118 -11.556) 14.685 14.811 ( -1.356 -1.788 7.227) 7.567 14.908 ( -5.621 -2.223 6.215) 8.669 15.100 ( 1.463 1.762 0.142) 2.295 15.235 ( -4.532 4.021 -1.994) 6.378 15.620 ( 1.951 -1.204 -4.556) 5.101 15.740 ( 0.401 0.795 -1.396) 1.655 15.971 ( 0.209 -0.446 -0.599) 0.775 16.030 ( 2.812 0.576 6.055) 6.701 16.206 ( 4.922 0.456 -1.090) 5.062 16.286 ( 4.288 -1.720 2.593) 5.298 16.380 ( -0.592 0.201 0.117) 0.636 16.408 ( 0.201 0.156 0.788) 0.828 16.524 ( 3.177 0.936 1.582) 3.670 16.568 ( 6.335 0.366 2.983) 7.012 16.725 ( 5.464 -0.859 -0.727) 5.579 16.856 ( 0.369 -2.664 -1.286) 2.981 16.934 ( -3.531 0.980 -2.512) 4.442 17.025 ( -3.826 1.580 -3.475) 5.405 17.101 ( -2.441 1.365 -0.041) 2.797 17.134 ( -1.995 2.124 -0.790) 3.020 17.214 ( -0.282 2.969 -1.438) 3.311 17.307 ( -2.782 3.229 -4.587) 6.261 17.395 ( -0.978 0.874 0.688) 1.481 17.467 ( -3.746 -0.185 -1.815) 4.166 17.595 ( 0.825 -4.944 3.093) 5.890 17.689 ( -1.455 -8.847 6.072) 10.829 17.805 ( 3.179 1.571 3.931) 5.294 17.923 ( -0.313 1.395 3.425) 3.711 18.268 ( 1.306 -0.888 -2.061) 2.597 18.396 ( 2.156 1.401 -3.642) 4.458 18.487 ( 3.770 2.216 0.840) 4.453 18.627 ( 0.924 0.806 -3.130) 3.362 18.679 ( 4.141 1.970 2.941) 5.448 18.802 ( 3.320 -1.176 2.908) 4.567 18.916 ( -0.229 1.421 -0.680) 1.592 18.969 ( -6.125 2.253 2.157) 6.873 19.127 ( -2.149 -1.214 -1.132) 2.715 19.205 ( -3.271 -1.774 3.946) 5.424 19.392 ( -0.646 0.775 1.084) 1.481 19.447 ( -2.279 -0.032 0.297) 2.298 27.196 ( 1.185 0.262 -3.091) 3.320 27.247 ( -0.590 0.139 -2.381) 2.457 27.326 ( 3.072 0.569 -2.336) 3.902 27.464 ( -2.211 -4.850 -0.733) 5.380 27.757 ( 2.474 2.439 3.902) 5.225 27.788 ( -0.607 4.296 5.399) 6.926 27.929 ( 1.417 -1.839 7.160) 7.526 27.977 ( -0.196 -1.327 3.620) 3.860 28.210 ( 2.903 -1.444 -1.435) 3.546 28.387 ( -0.678 -1.106 1.351) 1.873 28.420 ( 2.698 1.346 -1.149) 3.227 28.530 ( -4.420 0.563 -2.057) 4.908 28.877 ( 0.077 -0.411 1.824) 1.872 28.957 ( -1.987 2.058 -0.564) 2.916 29.032 ( -0.373 -0.509 -0.826) 1.040 29.106 ( -5.145 2.595 -0.154) 5.764 29.210 ( 2.467 -1.066 2.098) 3.409 29.300 ( -2.799 -2.287 0.760) 3.693 29.414 ( 0.659 1.444 -0.179) 1.598 29.430 ( 0.497 -0.065 0.192) 0.537 29.902 ( -0.277 4.146 2.907) 5.072 29.940 ( -1.385 2.153 3.007) 3.949 30.217 ( 1.782 0.350 -6.381) 6.635 30.310 ( -2.451 0.170 -3.008) 3.883 30.629 ( 3.220 -1.601 10.324) 10.933 30.752 ( -3.086 -1.833 6.877) 7.757 31.128 ( 6.485 -2.534 5.966) 9.169 31.168 ( 4.547 -3.950 1.562) 6.223 31.252 ( -1.542 -2.689 0.887) 3.224 31.351 ( -0.987 -0.527 5.575) 5.686 31.409 ( -0.007 -0.982 4.493) 4.599 31.471 ( -1.699 -0.827 6.232) 6.513 31.731 ( 0.581 0.531 0.796) 1.119 31.755 ( -0.299 -0.174 2.066) 2.095 31.839 ( -1.160 1.475 0.430) 1.925 31.897 ( -2.264 1.869 2.447) 3.822 31.986 ( -1.333 2.456 -0.095) 2.796 32.060 ( -2.552 1.397 0.103) 2.911 32.107 ( 1.233 5.124 4.161) 6.715 32.246 ( -3.592 0.859 -0.217) 3.700 33.628 ( 12.453 -4.424 0.319) 13.220 33.888 ( -1.805 -0.498 -0.497) 1.938 34.420 ( 14.194 -1.307 -11.466) 18.293 34.960 ( -9.264 -2.656 -19.869) 22.083 36.228 ( 5.879 2.989 -1.253) 6.713 36.478 ( -0.930 -1.702 -4.003) 4.448 36.774 ( -4.886 -0.509 -7.268) 8.772 36.814 ( -3.909 -1.369 -9.497) 10.361 ======================= Grid point 45 (20/48) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 -15.331 7.103) 16.896 1.413 ( 0.000 -19.902 22.083) 29.728 1.828 ( 0.000 -13.874 -8.270) 16.152 1.968 ( 0.000 -11.666 6.169) 13.196 2.324 ( -0.000 4.324 9.929) 10.830 2.394 ( 0.000 -9.254 3.324) 9.833 2.496 ( 0.000 -3.505 1.568) 3.839 2.579 ( 0.000 4.589 9.415) 10.474 2.672 ( -0.000 -0.550 7.191) 7.212 2.708 ( 0.000 -3.277 5.982) 6.821 2.950 ( -0.000 7.363 1.658) 7.548 2.992 ( 0.000 6.080 -1.012) 6.164 3.055 ( 0.000 4.928 1.004) 5.029 3.190 ( 0.000 -0.646 -5.180) 5.220 3.374 ( -0.000 -0.645 0.141) 0.661 3.399 ( 0.000 6.136 2.840) 6.762 3.544 ( 0.000 -2.765 4.091) 4.938 3.736 ( -0.000 9.898 -7.919) 12.676 3.742 ( 0.000 6.606 1.933) 6.883 3.805 ( 0.000 -12.814 0.071) 12.814 4.053 ( -0.000 16.851 0.178) 16.852 4.089 ( 0.000 -0.457 -10.454) 10.464 4.201 ( 0.000 -3.277 1.643) 3.666 4.215 ( -0.000 5.337 -1.398) 5.517 4.423 ( 0.000 1.587 -6.919) 7.099 4.444 ( 0.000 4.005 0.228) 4.011 4.504 ( -0.000 -2.971 -8.302) 8.818 4.520 ( 0.000 -5.807 7.993) 9.880 4.690 ( 0.000 0.732 -2.272) 2.387 4.753 ( 0.000 6.400 -2.367) 6.824 4.931 ( 0.000 7.855 -2.227) 8.165 5.049 ( 0.000 -1.099 -6.808) 6.897 5.063 ( -0.000 -0.767 1.493) 1.678 5.190 ( 0.000 6.982 -12.369) 14.203 5.327 ( 0.000 -8.609 -5.902) 10.438 5.329 ( -0.000 -2.009 -13.244) 13.396 5.470 ( -0.000 -2.699 -4.841) 5.542 5.493 ( 0.000 1.231 -1.116) 1.661 5.637 ( 0.000 2.409 4.058) 4.719 5.639 ( -0.000 -1.993 3.378) 3.922 5.794 ( 0.000 -3.016 4.853) 5.714 5.830 ( 0.000 1.020 -6.361) 6.443 6.024 ( 0.000 2.025 -2.028) 2.866 6.045 ( 0.000 4.907 -2.362) 5.446 6.279 ( 0.000 -1.962 -3.906) 4.371 6.329 ( 0.000 3.157 -8.722) 9.276 6.445 ( 0.000 0.556 3.675) 3.717 6.572 ( -0.000 1.162 -3.602) 3.785 6.650 ( -0.000 0.141 -1.305) 1.312 6.667 ( 0.000 -2.214 1.484) 2.666 6.770 ( 0.000 0.284 2.197) 2.215 6.842 ( 0.000 3.886 0.931) 3.996 6.984 ( 0.000 -2.078 -0.527) 2.144 7.025 ( 0.000 -3.067 -2.614) 4.030 7.177 ( 0.000 -1.007 -5.593) 5.683 7.196 ( -0.000 0.857 11.751) 11.782 7.457 ( 0.000 0.208 11.982) 11.983 7.518 ( 0.000 -4.086 -5.791) 7.088 7.618 ( 0.000 1.828 5.085) 5.404 7.635 ( 0.000 -0.561 1.573) 1.670 7.780 ( 0.000 -1.366 -1.315) 1.896 7.795 ( -0.000 -6.698 5.896) 8.924 7.865 ( 0.000 -4.768 5.944) 7.620 7.919 ( 0.000 -8.762 6.515) 10.919 8.098 ( -0.000 -3.564 1.172) 3.752 8.100 ( 0.000 -0.980 8.311) 8.368 8.172 ( 0.000 1.808 1.400) 2.287 8.202 ( 0.000 -0.266 5.022) 5.029 8.364 ( 0.000 1.687 -2.993) 3.436 8.405 ( 0.000 -1.745 7.898) 8.089 8.473 ( 0.000 -0.035 -0.072) 0.080 8.476 ( -0.000 0.113 -1.437) 1.441 8.532 ( 0.000 -1.342 0.767) 1.545 8.613 ( -0.000 -0.483 2.259) 2.310 8.757 ( 0.000 1.423 3.079) 3.392 8.790 ( 0.000 4.123 -0.232) 4.129 8.944 ( 0.000 0.359 3.962) 3.978 8.969 ( 0.000 -2.022 7.461) 7.730 9.131 ( 0.000 1.468 4.896) 5.112 9.164 ( 0.000 -1.013 9.366) 9.421 9.307 ( 0.000 2.672 1.669) 3.150 9.353 ( 0.000 -1.159 2.116) 2.413 9.474 ( 0.000 0.963 4.010) 4.124 9.477 ( -0.000 2.908 3.933) 4.891 9.560 ( 0.000 12.536 -1.624) 12.640 9.596 ( 0.000 1.241 -4.269) 4.446 9.736 ( 0.000 0.051 3.210) 3.210 9.742 ( -0.000 7.552 4.000) 8.546 9.905 ( 0.000 3.243 -5.456) 6.347 9.957 ( 0.000 4.193 1.959) 4.628 9.997 ( 0.000 1.069 -5.139) 5.249 10.064 ( 0.000 3.480 -1.170) 3.671 10.170 ( 0.000 2.842 1.552) 3.239 10.197 ( 0.000 8.975 1.288) 9.067 10.340 ( 0.000 4.693 0.724) 4.749 10.381 ( 0.000 -1.364 1.279) 1.870 10.525 ( 0.000 -4.298 1.206) 4.464 10.547 ( 0.000 -3.160 1.309) 3.420 10.728 ( 0.000 -2.968 -1.036) 3.143 10.787 ( -0.000 -3.041 -3.915) 4.957 10.895 ( -0.000 -0.554 -0.295) 0.628 10.941 ( 0.000 1.307 0.401) 1.367 11.129 ( 0.000 0.097 0.142) 0.172 11.177 ( 0.000 -2.511 -2.683) 3.675 11.359 ( 0.000 -0.348 3.983) 3.998 11.381 ( 0.000 -0.933 1.767) 1.998 11.652 ( 0.000 3.827 1.584) 4.142 11.668 ( 0.000 4.677 1.626) 4.951 11.945 ( 0.000 0.029 -10.013) 10.014 12.001 ( 0.000 1.312 -6.190) 6.328 12.117 ( 0.000 0.506 -6.558) 6.578 12.169 ( 0.000 -0.100 -4.409) 4.410 12.210 ( -0.000 -1.089 -7.526) 7.604 12.313 ( 0.000 1.998 -3.944) 4.421 12.576 ( 0.000 -1.791 -2.399) 2.994 12.580 ( -0.000 -1.057 -3.682) 3.831 12.666 ( 0.000 -3.089 -5.293) 6.128 12.726 ( 0.000 1.084 1.050) 1.510 12.733 ( -0.000 0.350 -1.128) 1.181 12.756 ( 0.000 0.128 -2.632) 2.635 12.901 ( 0.000 -4.374 -1.323) 4.570 12.923 ( 0.000 -1.646 -0.760) 1.813 13.053 ( 0.000 -0.097 -0.727) 0.733 13.118 ( 0.000 -3.206 2.755) 4.228 13.277 ( 0.000 -2.528 -2.743) 3.730 13.579 ( 0.000 -3.673 5.936) 6.980 13.686 ( -0.000 -8.458 -13.890) 16.263 13.695 ( 0.000 -6.767 -14.231) 15.758 14.812 ( 0.000 -2.145 5.288) 5.706 14.842 ( 0.000 -3.053 5.742) 6.503 15.146 ( 0.000 3.241 -1.279) 3.484 15.154 ( 0.000 2.923 -0.664) 2.997 15.663 ( 0.000 1.353 -7.224) 7.350 15.747 ( 0.000 -0.129 -7.441) 7.442 15.969 ( 0.000 0.866 -1.724) 1.929 16.056 ( 0.000 1.628 3.575) 3.928 16.251 ( 0.000 0.099 -0.890) 0.896 16.327 ( 0.000 -1.516 4.024) 4.299 16.377 ( 0.000 -1.042 1.235) 1.615 16.381 ( -0.000 -2.357 3.331) 4.081 16.639 ( 0.000 1.349 0.392) 1.405 16.648 ( -0.000 -0.122 -2.281) 2.284 16.809 ( -0.000 -3.578 5.596) 6.642 16.811 ( 0.000 -5.447 1.499) 5.650 16.914 ( 0.000 1.130 -9.066) 9.136 16.925 ( -0.000 3.239 -7.211) 7.905 17.070 ( 0.000 3.479 -0.793) 3.568 17.125 ( 0.000 4.779 2.232) 5.275 17.242 ( 0.000 1.522 0.120) 1.526 17.245 ( -0.000 4.235 -5.852) 7.224 17.380 ( 0.000 -0.881 2.169) 2.341 17.434 ( 0.000 -0.568 -2.805) 2.862 17.611 ( 0.000 -7.266 2.362) 7.640 17.670 ( 0.000 -8.152 6.685) 10.542 17.844 ( 0.000 0.717 2.180) 2.295 17.912 ( 0.000 2.396 4.371) 4.985 18.284 ( 0.000 -1.079 -1.840) 2.133 18.406 ( 0.000 1.053 -2.480) 2.694 18.567 ( 0.000 1.885 -1.074) 2.169 18.594 ( 0.000 2.521 -1.842) 3.122 18.797 ( -0.000 1.320 1.805) 2.236 18.805 ( 0.000 0.736 0.640) 0.975 18.845 ( 0.000 -0.879 -0.236) 0.910 18.955 ( 0.000 0.973 4.904) 5.000 19.118 ( 0.000 0.202 1.650) 1.662 19.137 ( 0.000 -0.725 0.033) 0.726 19.394 ( 0.000 0.625 2.688) 2.760 19.424 ( 0.000 0.436 3.477) 3.504 27.214 ( 0.000 0.212 -3.239) 3.246 27.236 ( 0.000 0.391 -3.753) 3.774 27.384 ( 0.000 -0.938 -2.059) 2.263 27.408 ( 0.000 -1.668 -0.954) 1.921 27.768 ( 0.000 4.361 4.868) 6.536 27.801 ( 0.000 3.712 5.503) 6.638 27.938 ( 0.000 -2.484 6.567) 7.021 27.981 ( 0.000 -2.534 8.832) 9.188 28.285 ( 0.000 -2.210 0.028) 2.210 28.314 ( -0.000 -2.894 0.332) 2.913 28.469 ( -0.000 2.485 -2.190) 3.312 28.487 ( 0.000 1.848 -1.014) 2.108 28.889 ( 0.000 1.256 -0.696) 1.436 28.924 ( 0.000 1.185 -0.118) 1.191 29.035 ( 0.000 0.501 -1.521) 1.602 29.039 ( -0.000 0.485 -0.994) 1.106 29.243 ( 0.000 -2.083 0.577) 2.161 29.269 ( 0.000 -2.119 0.900) 2.302 29.426 ( 0.000 0.860 0.191) 0.881 29.428 ( -0.000 0.822 0.674) 1.063 29.906 ( 0.000 3.194 2.047) 3.793 29.921 ( 0.000 2.938 2.690) 3.984 30.256 ( 0.000 0.318 -5.853) 5.862 30.261 ( -0.000 0.366 -5.542) 5.554 30.685 ( 0.000 -1.579 10.575) 10.692 30.701 ( 0.000 -1.568 11.143) 11.252 31.205 ( 0.000 -3.252 3.066) 4.469 31.213 ( -0.000 -3.868 3.612) 5.292 31.271 ( -0.000 -3.706 5.138) 6.335 31.293 ( 0.000 -3.709 3.964) 5.429 31.420 ( 0.000 1.339 6.597) 6.732 31.446 ( 0.000 0.650 6.525) 6.557 31.741 ( 0.000 1.096 1.153) 1.591 31.755 ( 0.000 0.967 0.876) 1.305 31.822 ( 0.000 0.338 0.506) 0.608 31.863 ( 0.000 -0.861 2.205) 2.367 31.977 ( 0.000 4.081 0.239) 4.088 32.029 ( 0.000 2.658 0.469) 2.699 32.162 ( 0.000 3.299 2.185) 3.957 32.170 ( -0.000 3.140 1.848) 3.643 33.808 ( -0.000 -1.633 -1.738) 2.385 33.818 ( 0.000 -1.670 -1.376) 2.163 34.706 ( 0.000 -1.216 -15.669) 15.716 34.715 ( -0.000 -1.221 -15.363) 15.411 36.381 ( 0.000 0.258 -3.435) 3.444 36.386 ( 0.000 0.242 -3.184) 3.194 36.745 ( -0.000 -1.566 -8.775) 8.914 36.751 ( 0.000 -1.567 -8.538) 8.681 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 0.000 -7.986) 7.986 1.576 ( 0.000 0.000 5.533) 5.533 1.645 ( 0.000 0.000 12.287) 12.287 1.968 ( 0.000 0.000 9.979) 9.979 2.108 ( 0.000 0.000 -9.461) 9.461 2.336 ( 0.000 0.000 29.662) 29.662 2.380 ( 0.000 0.000 10.421) 10.421 2.577 ( 0.000 0.000 -3.902) 3.902 2.735 ( 0.000 0.000 9.615) 9.615 2.809 ( 0.000 -0.000 5.460) 5.460 2.905 ( 0.000 0.000 -10.343) 10.343 2.935 ( 0.000 0.000 -0.767) 0.767 2.978 ( 0.000 0.000 -7.480) 7.480 3.042 ( 0.000 0.000 1.592) 1.592 3.131 ( 0.000 -0.000 9.926) 9.926 3.181 ( 0.000 0.000 0.780) 0.780 3.441 ( 0.000 0.000 10.497) 10.497 3.531 ( 0.000 0.000 1.357) 1.357 3.697 ( 0.000 0.000 -3.842) 3.842 3.839 ( 0.000 0.000 7.773) 7.773 4.046 ( 0.000 0.000 -0.841) 0.841 4.087 ( 0.000 0.000 3.861) 3.861 4.215 ( 0.000 -0.000 -11.313) 11.313 4.294 ( 0.000 0.000 6.644) 6.644 4.336 ( 0.000 0.000 0.997) 0.997 4.419 ( 0.000 0.000 8.427) 8.427 4.476 ( 0.000 0.000 -1.258) 1.258 4.602 ( 0.000 -0.000 -4.637) 4.637 4.756 ( 0.000 0.000 6.459) 6.459 4.851 ( 0.000 0.000 11.411) 11.411 4.856 ( 0.000 -0.000 -7.480) 7.480 4.901 ( 0.000 0.000 -1.224) 1.224 5.047 ( 0.000 0.000 14.210) 14.210 5.213 ( 0.000 -0.000 18.544) 18.544 5.214 ( 0.000 0.000 3.398) 3.398 5.340 ( 0.000 0.000 6.819) 6.819 5.491 ( 0.000 0.000 5.573) 5.573 5.558 ( 0.000 0.000 5.364) 5.364 5.558 ( 0.000 -0.000 -6.911) 6.911 5.683 ( 0.000 0.000 -0.753) 0.753 5.851 ( 0.000 0.000 0.646) 0.646 6.011 ( 0.000 -0.000 -4.825) 4.825 6.021 ( 0.000 0.000 10.135) 10.135 6.178 ( 0.000 0.000 1.500) 1.500 6.259 ( 0.000 0.000 -3.548) 3.548 6.367 ( 0.000 0.000 8.635) 8.635 6.408 ( 0.000 0.000 -1.019) 1.019 6.482 ( 0.000 -0.000 4.022) 4.022 6.644 ( 0.000 0.000 -6.167) 6.167 6.722 ( 0.000 0.000 -2.169) 2.169 6.723 ( 0.000 0.000 -0.488) 0.488 6.822 ( 0.000 0.000 -2.568) 2.568 6.939 ( 0.000 0.000 -0.480) 0.480 7.112 ( 0.000 0.000 1.070) 1.070 7.161 ( 0.000 0.000 0.148) 0.148 7.240 ( 0.000 0.000 -4.276) 4.276 7.498 ( 0.000 0.000 -4.547) 4.547 7.577 ( 0.000 0.000 -1.499) 1.499 7.607 ( 0.000 0.000 -1.095) 1.095 7.663 ( 0.000 0.000 -0.392) 0.392 7.861 ( 0.000 0.000 -0.178) 0.178 7.899 ( 0.000 0.000 -3.803) 3.803 7.914 ( 0.000 -0.000 -7.528) 7.528 8.137 ( 0.000 0.000 -1.042) 1.042 8.148 ( 0.000 0.000 -2.715) 2.715 8.149 ( 0.000 0.000 3.088) 3.088 8.171 ( 0.000 0.000 -2.394) 2.394 8.273 ( 0.000 0.000 -8.118) 8.118 8.288 ( 0.000 0.000 3.030) 3.030 8.360 ( 0.000 0.000 -6.263) 6.263 8.460 ( 0.000 0.000 -7.153) 7.153 8.471 ( 0.000 0.000 -10.097) 10.097 8.520 ( 0.000 0.000 -8.456) 8.456 8.573 ( 0.000 0.000 1.718) 1.718 8.747 ( 0.000 0.000 -6.578) 6.578 8.799 ( 0.000 0.000 0.009) 0.009 8.892 ( 0.000 0.000 2.909) 2.909 9.048 ( 0.000 0.000 2.603) 2.603 9.108 ( 0.000 0.000 2.897) 2.897 9.233 ( 0.000 0.000 -5.210) 5.210 9.277 ( 0.000 0.000 6.441) 6.441 9.379 ( 0.000 0.000 -2.062) 2.062 9.498 ( 0.000 0.000 2.297) 2.297 9.554 ( 0.000 0.000 -3.737) 3.737 9.586 ( 0.000 0.000 3.056) 3.056 9.608 ( 0.000 0.000 -0.356) 0.356 9.770 ( 0.000 0.000 -1.590) 1.590 9.826 ( 0.000 0.000 -1.528) 1.528 9.844 ( 0.000 0.000 2.330) 2.330 9.955 ( 0.000 -0.000 -4.107) 4.107 9.969 ( 0.000 0.000 5.047) 5.047 9.972 ( 0.000 0.000 -8.132) 8.132 10.017 ( 0.000 0.000 14.801) 14.801 10.203 ( 0.000 0.000 5.333) 5.333 10.232 ( 0.000 -0.000 2.334) 2.334 10.371 ( 0.000 0.000 -0.197) 0.197 10.416 ( 0.000 0.000 5.121) 5.121 10.494 ( 0.000 0.000 -1.223) 1.223 10.566 ( 0.000 0.000 1.829) 1.829 10.617 ( 0.000 0.000 0.948) 0.948 10.916 ( 0.000 0.000 -2.053) 2.053 10.928 ( 0.000 0.000 2.509) 2.509 11.153 ( 0.000 0.000 1.441) 1.441 11.221 ( 0.000 0.000 2.064) 2.064 11.348 ( 0.000 0.000 2.510) 2.510 11.377 ( 0.000 0.000 -1.422) 1.422 11.655 ( 0.000 0.000 3.172) 3.172 11.749 ( 0.000 0.000 -7.528) 7.528 11.897 ( 0.000 0.000 2.411) 2.411 12.025 ( 0.000 0.000 4.318) 4.318 12.208 ( 0.000 0.000 -17.397) 17.397 12.409 ( 0.000 0.000 -4.292) 4.292 12.444 ( 0.000 0.000 -13.882) 13.882 12.464 ( 0.000 0.000 1.046) 1.046 12.510 ( 0.000 -0.000 -2.074) 2.074 12.537 ( 0.000 0.000 -2.238) 2.238 12.616 ( 0.000 0.000 -7.274) 7.274 12.685 ( 0.000 0.000 -1.926) 1.926 12.757 ( 0.000 0.000 -4.072) 4.072 12.787 ( 0.000 0.000 3.151) 3.151 12.848 ( 0.000 -0.000 1.687) 1.687 12.859 ( 0.000 0.000 -0.001) 0.001 12.988 ( 0.000 0.000 0.685) 0.685 13.048 ( 0.000 -0.000 -4.342) 4.342 13.186 ( 0.000 0.000 3.679) 3.679 13.290 ( 0.000 -0.000 -5.425) 5.425 13.612 ( 0.000 0.000 -22.391) 22.391 13.946 ( 0.000 0.000 -24.703) 24.703 14.993 ( 0.000 0.000 4.174) 4.174 14.998 ( 0.000 0.000 15.064) 15.064 15.097 ( 0.000 0.000 7.130) 7.130 15.245 ( 0.000 0.000 0.367) 0.367 15.786 ( 0.000 0.000 11.607) 11.607 15.826 ( 0.000 0.000 4.514) 4.514 15.891 ( 0.000 0.000 12.196) 12.196 15.948 ( 0.000 0.000 5.512) 5.512 15.998 ( 0.000 0.000 5.160) 5.160 16.106 ( 0.000 0.000 -1.207) 1.207 16.289 ( 0.000 0.000 0.773) 0.773 16.353 ( 0.000 0.000 -3.601) 3.601 16.430 ( 0.000 0.000 1.800) 1.800 16.584 ( 0.000 0.000 8.867) 8.867 16.709 ( 0.000 0.000 2.568) 2.568 16.916 ( 0.000 0.000 2.196) 2.196 17.003 ( 0.000 0.000 4.695) 4.695 17.040 ( 0.000 0.000 2.096) 2.096 17.194 ( 0.000 0.000 -3.361) 3.361 17.259 ( 0.000 0.000 0.560) 0.560 17.295 ( 0.000 0.000 2.367) 2.367 17.426 ( 0.000 0.000 -2.841) 2.841 17.502 ( 0.000 0.000 -3.855) 3.855 17.517 ( 0.000 0.000 1.718) 1.718 17.538 ( 0.000 -0.000 -1.232) 1.232 17.695 ( 0.000 0.000 0.997) 0.997 17.794 ( 0.000 0.000 3.367) 3.367 17.851 ( 0.000 0.000 3.000) 3.000 18.231 ( 0.000 0.000 0.688) 0.688 18.278 ( 0.000 0.000 -3.350) 3.350 18.409 ( 0.000 0.000 -0.480) 0.480 18.478 ( 0.000 0.000 -1.514) 1.514 18.685 ( 0.000 0.000 4.221) 4.221 18.753 ( 0.000 0.000 0.950) 0.950 19.039 ( 0.000 -0.000 -9.807) 9.807 19.043 ( 0.000 0.000 -4.204) 4.204 19.215 ( 0.000 0.000 -4.316) 4.316 19.232 ( 0.000 0.000 2.105) 2.105 19.456 ( 0.000 0.000 -2.325) 2.325 19.489 ( 0.000 0.000 -6.999) 6.999 27.206 ( 0.000 0.000 -0.802) 0.802 27.244 ( 0.000 0.000 -3.791) 3.791 27.250 ( 0.000 0.000 0.921) 0.921 27.343 ( 0.000 0.000 2.594) 2.594 27.697 ( 0.000 0.000 0.843) 0.843 27.805 ( 0.000 0.000 3.030) 3.030 27.877 ( 0.000 0.000 -1.179) 1.179 28.023 ( 0.000 0.000 -5.875) 5.875 28.254 ( 0.000 0.000 -3.282) 3.282 28.266 ( 0.000 0.000 -2.435) 2.435 28.365 ( 0.000 0.000 6.257) 6.257 28.653 ( 0.000 0.000 -2.860) 2.860 28.970 ( 0.000 0.000 1.883) 1.883 29.005 ( 0.000 0.000 10.125) 10.125 29.038 ( 0.000 0.000 2.076) 2.076 29.150 ( 0.000 0.000 -0.045) 0.045 29.196 ( 0.000 0.000 1.499) 1.499 29.236 ( 0.000 0.000 1.638) 1.638 29.417 ( 0.000 0.000 3.945) 3.945 29.638 ( 0.000 0.000 -7.261) 7.261 30.001 ( 0.000 0.000 6.354) 6.354 30.071 ( 0.000 0.000 -0.177) 0.177 30.174 ( 0.000 0.000 -4.497) 4.497 30.336 ( 0.000 0.000 0.616) 0.616 30.505 ( 0.000 0.000 7.627) 7.627 30.848 ( 0.000 0.000 -0.994) 0.994 30.883 ( 0.000 0.000 5.973) 5.973 30.893 ( 0.000 0.000 0.931) 0.931 31.342 ( 0.000 0.000 -4.739) 4.739 31.350 ( 0.000 0.000 -1.635) 1.635 31.412 ( 0.000 0.000 6.904) 6.904 31.457 ( 0.000 0.000 4.573) 4.573 31.754 ( 0.000 0.000 0.070) 0.070 31.774 ( 0.000 0.000 5.140) 5.140 31.819 ( 0.000 0.000 0.087) 0.087 32.003 ( 0.000 0.000 3.617) 3.617 32.081 ( 0.000 -0.000 -3.680) 3.680 32.134 ( 0.000 0.000 -2.584) 2.584 32.154 ( 0.000 0.000 3.803) 3.803 32.268 ( 0.000 0.000 -3.365) 3.365 33.093 ( 0.000 0.000 20.810) 20.810 33.908 ( 0.000 0.000 2.625) 2.625 34.073 ( 0.000 0.000 -7.444) 7.444 34.913 ( 0.000 0.000 -9.541) 9.541 36.382 ( 0.000 0.000 -12.061) 12.061 36.424 ( 0.000 0.000 -0.436) 0.436 36.891 ( 0.000 0.000 -9.513) 9.513 36.925 ( 0.000 0.000 -6.125) 6.125 ======================= Grid point 51 (22/48) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 1.366 0.000 7.216) 7.344 1.617 ( -4.842 0.000 -1.717) 5.138 1.803 ( 20.292 0.000 2.917) 20.500 2.018 ( -0.508 0.000 6.833) 6.852 2.125 ( 3.633 0.000 -7.538) 8.368 2.215 ( -19.861 0.000 7.515) 21.235 2.398 ( 3.056 0.000 16.653) 16.932 2.412 ( -0.232 -0.000 4.989) 4.994 2.647 ( -1.158 0.000 8.180) 8.262 2.700 ( -10.776 0.000 4.170) 11.555 2.856 ( -4.429 0.000 -3.188) 5.457 2.899 ( -4.091 0.000 -9.116) 9.992 3.073 ( -1.484 0.000 0.682) 1.633 3.157 ( 3.413 0.000 0.485) 3.447 3.232 ( -3.557 0.000 -2.838) 4.550 3.240 ( 5.892 -0.000 16.038) 17.086 3.432 ( 2.041 0.000 -4.783) 5.200 3.675 ( 5.857 -0.000 -6.141) 8.487 3.741 ( 28.097 0.000 0.514) 28.102 3.914 ( 1.100 0.000 6.125) 6.223 3.999 ( -4.901 0.000 12.725) 13.636 4.006 ( 12.121 -0.000 2.777) 12.435 4.197 ( -2.297 0.000 0.165) 2.303 4.326 ( -2.029 0.000 8.512) 8.750 4.376 ( 8.312 0.000 3.990) 9.220 4.499 ( 6.354 0.000 3.187) 7.108 4.607 ( -6.964 0.000 4.188) 8.126 4.667 ( -0.922 0.000 -5.891) 5.963 4.727 ( -0.275 0.000 -0.389) 0.477 4.762 ( 5.452 0.000 -3.565) 6.514 4.813 ( -0.006 0.000 -7.226) 7.226 5.001 ( -3.311 0.000 -3.655) 4.932 5.064 ( 1.531 0.000 3.269) 3.609 5.134 ( -1.668 0.000 8.977) 9.131 5.241 ( -5.980 0.000 0.577) 6.008 5.303 ( 7.247 0.000 15.353) 16.978 5.406 ( -8.665 0.000 -5.482) 10.254 5.554 ( 0.747 0.000 5.769) 5.817 5.615 ( -2.021 0.000 -1.128) 2.315 5.696 ( 0.613 0.000 0.264) 0.667 5.764 ( 0.567 0.000 3.094) 3.146 5.908 ( -3.589 0.000 6.650) 7.557 6.092 ( -3.469 0.000 6.832) 7.662 6.124 ( -5.344 0.000 -5.507) 7.674 6.312 ( 2.393 0.000 -5.445) 5.948 6.382 ( 3.700 0.000 6.270) 7.280 6.473 ( -0.542 0.000 -6.180) 6.204 6.565 ( -0.867 0.000 -0.309) 0.920 6.588 ( 9.545 0.000 1.631) 9.683 6.701 ( 1.216 0.000 1.435) 1.881 6.725 ( 2.722 0.000 0.979) 2.893 6.879 ( -7.248 0.000 2.460) 7.654 6.985 ( 11.224 0.000 3.090) 11.642 7.025 ( -9.732 -0.000 -1.548) 9.854 7.159 ( 5.118 0.000 0.661) 5.161 7.266 ( 2.691 0.000 -2.719) 3.826 7.439 ( -8.828 0.000 -2.454) 9.163 7.464 ( -11.371 0.000 -4.075) 12.079 7.510 ( -9.110 -0.000 -12.358) 15.353 7.661 ( 1.728 0.000 -4.457) 4.780 7.781 ( -1.067 0.000 1.211) 1.614 7.814 ( -6.024 0.000 -4.550) 7.549 7.919 ( -4.093 0.000 1.667) 4.420 8.006 ( -7.446 0.000 -6.120) 9.639 8.022 ( 1.198 -0.000 -1.601) 2.000 8.185 ( 0.042 0.000 3.557) 3.558 8.222 ( 2.223 0.000 -0.395) 2.257 8.264 ( 0.016 0.000 -2.665) 2.665 8.310 ( 0.212 0.000 5.910) 5.914 8.413 ( 0.227 0.000 -2.727) 2.737 8.520 ( 2.996 0.000 -1.417) 3.315 8.575 ( 3.423 0.000 -0.643) 3.483 8.603 ( 4.114 0.000 -4.037) 5.764 8.681 ( 3.877 0.000 -4.830) 6.194 8.741 ( -1.682 0.000 0.298) 1.708 8.778 ( 3.852 0.000 -0.879) 3.951 8.947 ( 2.958 0.000 -0.095) 2.960 9.078 ( 2.637 0.000 2.030) 3.328 9.126 ( 0.144 0.000 6.354) 6.356 9.261 ( 0.177 0.000 -3.101) 3.106 9.313 ( 4.231 0.000 2.025) 4.691 9.381 ( -5.423 0.000 2.513) 5.977 9.429 ( -0.429 0.000 0.375) 0.570 9.452 ( -7.108 -0.000 1.985) 7.380 9.567 ( -6.172 0.000 0.150) 6.174 9.647 ( 10.981 0.000 -0.254) 10.983 9.734 ( -0.268 0.000 0.646) 0.699 9.800 ( -1.319 0.000 2.473) 2.803 9.918 ( 1.654 0.000 -0.133) 1.659 9.945 ( 2.619 0.000 -2.670) 3.740 9.974 ( 2.998 0.000 1.557) 3.379 10.030 ( 2.207 0.000 -0.798) 2.347 10.119 ( 7.763 0.000 0.807) 7.805 10.167 ( -3.158 0.000 -0.546) 3.205 10.256 ( 4.018 0.000 4.339) 5.914 10.322 ( -3.977 -0.000 2.727) 4.822 10.398 ( -0.775 0.000 1.500) 1.689 10.530 ( 2.172 0.000 -3.087) 3.775 10.629 ( 0.226 -0.000 2.312) 2.323 10.648 ( 7.036 0.000 -1.085) 7.119 10.862 ( -4.350 0.000 -2.555) 5.045 10.934 ( 2.152 0.000 3.509) 4.117 11.165 ( 0.267 0.000 0.671) 0.722 11.190 ( -2.523 0.000 3.289) 4.145 11.335 ( -0.552 0.000 2.478) 2.538 11.381 ( -0.146 0.000 -2.306) 2.310 11.655 ( 0.723 0.000 4.042) 4.106 11.716 ( -1.796 0.000 -4.540) 4.882 11.948 ( 3.721 0.000 0.531) 3.758 11.994 ( -2.539 0.000 -3.183) 4.072 12.163 ( -2.685 0.000 -9.995) 10.349 12.274 ( -8.718 0.000 -9.047) 12.564 12.448 ( 0.527 0.000 -6.352) 6.373 12.498 ( -2.282 0.000 -0.717) 2.392 12.516 ( 0.668 -0.000 -2.825) 2.903 12.562 ( 1.199 0.000 -3.688) 3.878 12.603 ( -1.013 0.000 -6.121) 6.204 12.687 ( -2.151 0.000 -1.099) 2.416 12.738 ( 2.455 0.000 -2.406) 3.438 12.779 ( -2.996 0.000 3.201) 4.385 12.804 ( 0.751 0.000 -1.886) 2.030 12.966 ( -4.008 0.000 -3.664) 5.430 13.006 ( 3.068 -0.000 1.058) 3.245 13.054 ( 6.754 0.000 -0.062) 6.754 13.183 ( 0.590 0.000 -0.720) 0.931 13.293 ( 2.061 0.000 -7.643) 7.916 13.632 ( -0.367 0.000 -11.370) 11.376 13.960 ( -0.435 0.000 -18.427) 18.432 14.912 ( -6.781 0.000 14.565) 16.066 14.953 ( -2.699 0.000 5.983) 6.564 15.119 ( 0.004 0.000 2.920) 2.920 15.298 ( 2.518 0.000 -2.323) 3.426 15.630 ( -6.242 0.000 4.081) 7.458 15.781 ( -5.788 0.000 7.087) 9.150 15.924 ( 4.663 0.000 9.638) 10.706 15.956 ( -1.669 0.000 2.320) 2.858 16.070 ( 9.900 0.000 0.127) 9.901 16.191 ( 4.406 0.000 3.641) 5.716 16.377 ( 2.837 -0.000 -1.694) 3.304 16.377 ( 1.655 0.000 -2.075) 2.654 16.446 ( 5.438 0.000 2.222) 5.874 16.566 ( -1.619 0.000 5.349) 5.588 16.719 ( 0.824 0.000 1.566) 1.770 16.834 ( -6.119 0.000 3.437) 7.018 17.021 ( -2.377 0.000 0.987) 2.574 17.026 ( 2.313 0.000 0.544) 2.376 17.175 ( -5.169 0.000 0.747) 5.223 17.191 ( -1.061 -0.000 -2.722) 2.922 17.303 ( -0.141 0.000 -1.151) 1.159 17.374 ( -3.774 0.000 -3.397) 5.077 17.491 ( -1.893 0.000 -3.077) 3.613 17.503 ( -0.563 0.000 0.519) 0.765 17.545 ( -1.156 0.000 -0.589) 1.298 17.627 ( -5.212 0.000 2.973) 6.001 17.798 ( 1.337 0.000 5.281) 5.448 17.888 ( 2.383 0.000 3.356) 4.116 18.253 ( 1.862 0.000 -3.398) 3.875 18.344 ( 6.220 0.000 0.729) 6.262 18.412 ( 0.192 0.000 -5.562) 5.565 18.530 ( 4.320 0.000 -0.823) 4.398 18.727 ( 3.685 0.000 2.924) 4.704 18.763 ( 0.704 0.000 0.703) 0.995 18.990 ( -4.224 0.000 -3.115) 5.248 19.051 ( -0.416 0.000 -3.319) 3.345 19.173 ( -3.116 0.000 -0.338) 3.134 19.195 ( -2.788 0.000 2.268) 3.594 19.443 ( -1.137 0.000 -1.594) 1.958 19.468 ( -1.889 0.000 -3.626) 4.088 27.185 ( -0.274 0.000 -1.355) 1.382 27.254 ( 0.104 0.000 -0.339) 0.355 27.293 ( 3.040 0.000 -3.063) 4.316 27.371 ( 2.135 0.000 0.516) 2.196 27.724 ( 2.662 0.000 1.861) 3.248 27.826 ( 1.966 0.000 5.390) 5.738 27.888 ( 0.764 0.000 2.550) 2.662 27.995 ( -2.614 0.000 -3.997) 4.776 28.193 ( -2.029 0.000 -2.338) 3.095 28.352 ( 4.910 0.000 -2.449) 5.487 28.374 ( 0.755 0.000 3.320) 3.405 28.623 ( -3.697 0.000 -2.727) 4.593 28.901 ( -4.308 0.000 5.136) 6.703 28.978 ( 0.643 0.000 1.126) 1.297 29.058 ( -2.566 0.000 1.523) 2.984 29.132 ( 3.721 0.000 3.922) 5.406 29.217 ( -2.180 0.000 0.848) 2.339 29.338 ( 7.297 0.000 -0.724) 7.333 29.384 ( -3.967 0.000 3.545) 5.320 29.513 ( -8.594 0.000 -3.927) 9.449 29.987 ( -1.201 0.000 4.778) 4.926 29.998 ( -3.582 0.000 2.174) 4.190 30.200 ( 0.953 0.000 -5.766) 5.844 30.337 ( -0.292 0.000 0.006) 0.292 30.541 ( 3.158 0.000 8.758) 9.310 30.793 ( -4.268 0.000 3.108) 5.280 30.984 ( 9.636 0.000 -1.187) 9.709 30.990 ( 5.255 0.000 5.640) 7.709 31.289 ( -4.069 0.000 -0.952) 4.179 31.374 ( 1.857 0.000 -1.597) 2.450 31.381 ( -2.366 0.000 6.472) 6.891 31.465 ( 0.196 0.000 6.414) 6.417 31.746 ( -0.342 0.000 0.789) 0.860 31.747 ( -1.182 0.000 3.769) 3.950 31.850 ( 1.194 0.000 0.381) 1.254 31.983 ( -1.770 0.000 3.343) 3.783 32.065 ( -2.477 0.000 -3.383) 4.193 32.110 ( -1.351 0.000 -0.369) 1.400 32.164 ( 0.228 0.000 2.686) 2.695 32.269 ( -0.080 0.000 -3.151) 3.152 33.260 ( 15.222 0.000 12.336) 19.593 33.904 ( -0.459 0.000 1.608) 1.673 34.167 ( 9.220 0.000 -8.385) 12.463 34.962 ( 2.913 0.000 -14.019) 14.319 36.303 ( -5.684 0.000 -6.827) 8.884 36.436 ( 1.090 0.000 -1.872) 2.166 36.863 ( -2.791 0.000 -9.510) 9.911 36.880 ( -4.465 0.000 -6.377) 7.785 ======================= Grid point 53 (23/48) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -19.924 0.000 11.439) 22.974 1.509 ( -33.932 0.000 18.733) 38.760 1.707 ( 15.052 0.000 0.844) 15.075 1.978 ( -12.268 0.000 -7.127) 14.187 2.173 ( -3.926 0.000 -12.242) 12.856 2.292 ( 15.195 0.000 -2.269) 15.364 2.361 ( 5.879 0.000 -6.357) 8.658 2.480 ( 6.914 0.000 -0.849) 6.965 2.591 ( 0.719 0.000 13.234) 13.253 2.653 ( 0.286 0.000 9.309) 9.314 2.853 ( 3.559 0.000 6.785) 7.661 2.885 ( 8.352 0.000 -13.825) 16.152 3.062 ( 10.238 0.000 4.777) 11.297 3.223 ( -0.758 0.000 11.740) 11.764 3.266 ( 4.637 0.000 6.068) 7.636 3.305 ( 3.743 0.000 -7.205) 8.120 3.554 ( 8.577 0.000 10.998) 13.948 3.838 ( -1.074 0.000 7.078) 7.159 3.923 ( -5.066 0.000 -0.182) 5.069 3.972 ( 2.375 0.000 3.569) 4.287 4.099 ( -0.278 0.000 0.073) 0.288 4.191 ( 1.242 0.000 -10.252) 10.327 4.217 ( 1.120 0.000 -5.149) 5.270 4.317 ( -0.445 -0.000 12.973) 12.981 4.337 ( -6.438 0.000 -2.750) 7.001 4.368 ( -1.099 0.000 3.230) 3.412 4.627 ( 2.849 -0.000 0.713) 2.937 4.650 ( -1.868 0.000 -7.591) 7.817 4.712 ( -6.165 0.000 -2.348) 6.597 4.790 ( 6.704 0.000 -0.968) 6.773 4.893 ( 4.210 0.000 -5.622) 7.023 4.899 ( -4.341 -0.000 -1.533) 4.604 5.112 ( 0.157 0.000 -2.878) 2.882 5.134 ( 4.220 -0.000 -13.162) 13.822 5.239 ( 7.526 0.000 -0.925) 7.583 5.372 ( 7.654 0.000 4.347) 8.802 5.480 ( 0.413 0.000 9.023) 9.032 5.503 ( -7.304 0.000 2.338) 7.669 5.552 ( -3.115 0.000 -1.309) 3.379 5.645 ( 2.303 0.000 -0.278) 2.320 5.773 ( -6.470 0.000 -1.574) 6.658 5.847 ( 0.778 -0.000 3.178) 3.272 5.989 ( 4.668 0.000 5.275) 7.044 6.044 ( -1.866 0.000 -14.423) 14.543 6.306 ( -5.694 0.000 -7.211) 9.189 6.364 ( -5.228 0.000 3.422) 6.249 6.546 ( 7.922 0.000 -3.411) 8.625 6.631 ( 0.187 0.000 6.154) 6.157 6.635 ( 4.697 -0.000 3.735) 6.001 6.765 ( -0.101 0.000 -2.157) 2.159 6.774 ( -2.354 -0.000 1.663) 2.882 6.820 ( -2.254 0.000 -6.148) 6.549 6.982 ( 3.923 0.000 8.360) 9.235 7.028 ( -10.352 0.000 -6.787) 12.379 7.114 ( -10.139 0.000 -4.234) 10.987 7.165 ( -1.534 0.000 -6.968) 7.134 7.388 ( 15.674 0.000 8.717) 17.935 7.456 ( 6.767 0.000 3.542) 7.638 7.503 ( 2.229 -0.000 0.994) 2.440 7.651 ( -3.312 0.000 -5.423) 6.354 7.712 ( -1.741 0.000 0.659) 1.861 7.768 ( -3.441 0.000 3.571) 4.959 7.831 ( -2.480 0.000 6.419) 6.882 7.931 ( -3.163 0.000 -1.651) 3.568 8.045 ( -0.820 0.000 -1.348) 1.578 8.199 ( -4.075 0.000 0.405) 4.095 8.246 ( -4.131 0.000 4.226) 5.910 8.263 ( 6.015 0.000 4.063) 7.258 8.288 ( 2.380 0.000 -1.732) 2.944 8.405 ( -12.446 0.000 4.594) 13.267 8.439 ( 1.743 0.000 4.989) 5.284 8.539 ( -1.088 0.000 5.196) 5.308 8.586 ( -3.916 0.000 -0.698) 3.978 8.610 ( -5.013 0.000 -3.706) 6.234 8.807 ( 1.672 0.000 -1.851) 2.495 8.887 ( -5.542 0.000 8.615) 10.243 8.978 ( 3.227 0.000 -0.806) 3.326 9.056 ( -7.852 -0.000 10.433) 13.058 9.065 ( -1.157 0.000 -0.002) 1.157 9.125 ( 2.498 0.000 5.403) 5.952 9.325 ( -6.250 0.000 3.418) 7.124 9.405 ( 6.697 0.000 -5.676) 8.778 9.475 ( 1.999 0.000 -1.641) 2.586 9.479 ( 0.478 -0.000 3.693) 3.724 9.609 ( 12.098 -0.000 0.358) 12.103 9.623 ( -5.500 0.000 3.619) 6.584 9.731 ( -0.121 0.000 3.547) 3.549 9.903 ( -0.724 0.000 -3.049) 3.134 9.942 ( 0.565 0.000 -0.428) 0.709 9.972 ( 4.886 0.000 -1.006) 4.989 10.025 ( 2.545 0.000 -1.575) 2.993 10.047 ( -0.120 0.000 -1.355) 1.360 10.196 ( 3.638 0.000 0.461) 3.667 10.268 ( -0.277 0.000 -0.581) 0.644 10.312 ( 8.288 -0.000 -2.887) 8.777 10.317 ( 4.525 0.000 4.036) 6.063 10.437 ( 3.210 0.000 2.349) 3.978 10.530 ( -2.649 0.000 -2.029) 3.336 10.634 ( 1.886 0.000 1.825) 2.624 10.735 ( 0.842 0.000 -5.035) 5.105 10.847 ( 4.069 0.000 -0.785) 4.144 10.980 ( 0.369 0.000 0.067) 0.375 11.143 ( -1.770 0.000 -1.174) 2.124 11.156 ( -0.628 0.000 7.361) 7.387 11.352 ( 1.576 0.000 2.527) 2.978 11.364 ( -1.073 0.000 -3.026) 3.210 11.693 ( 2.515 0.000 4.146) 4.849 11.705 ( 0.544 -0.000 -2.655) 2.710 11.957 ( -0.138 0.000 -9.398) 9.399 12.016 ( 2.820 0.000 -1.275) 3.095 12.138 ( -4.498 -0.000 -7.201) 8.490 12.138 ( 0.216 0.000 -6.891) 6.894 12.353 ( -7.906 0.000 -5.901) 9.865 12.405 ( -7.500 0.000 -5.119) 9.080 12.545 ( 1.210 0.000 -3.552) 3.752 12.562 ( -1.575 -0.000 -6.776) 6.956 12.588 ( 1.252 0.000 -1.931) 2.301 12.701 ( 1.977 0.000 -0.605) 2.067 12.736 ( 0.036 0.000 -3.406) 3.406 12.746 ( -2.590 -0.000 0.734) 2.692 12.855 ( -2.917 -0.000 0.440) 2.950 12.857 ( 2.555 0.000 0.409) 2.587 13.056 ( 1.191 0.000 -2.063) 2.382 13.092 ( -1.942 0.000 0.186) 1.951 13.273 ( 6.375 0.000 -4.036) 7.545 13.370 ( 3.914 0.000 -4.774) 6.173 13.582 ( -2.295 0.000 -0.896) 2.463 13.864 ( -9.499 0.000 -6.795) 11.679 14.802 ( -3.221 0.000 10.279) 10.772 14.879 ( -4.942 0.000 6.157) 7.895 15.119 ( 1.686 0.000 -0.080) 1.687 15.277 ( -4.216 0.000 -2.268) 4.788 15.609 ( 3.405 0.000 -5.211) 6.225 15.751 ( 1.291 0.000 -3.146) 3.401 15.957 ( 1.137 0.000 -2.058) 2.351 16.011 ( 3.269 0.000 7.425) 8.112 16.247 ( 6.364 -0.000 -0.132) 6.365 16.250 ( 2.350 0.000 4.406) 4.994 16.387 ( -0.843 0.000 0.745) 1.125 16.404 ( -0.286 0.000 -4.579) 4.588 16.524 ( 0.488 0.000 1.798) 1.863 16.567 ( 5.947 0.000 4.863) 7.682 16.757 ( 2.026 0.000 -6.593) 6.898 16.776 ( 0.116 0.000 5.140) 5.141 16.953 ( -3.265 0.000 0.382) 3.287 17.047 ( -2.769 0.000 -5.987) 6.597 17.120 ( -0.512 0.000 -2.086) 2.148 17.150 ( -1.352 0.000 -2.439) 2.789 17.297 ( -0.542 0.000 -1.869) 1.946 17.313 ( -2.489 -0.000 -1.283) 2.800 17.436 ( -2.720 -0.000 -1.516) 3.114 17.461 ( -3.471 0.000 1.821) 3.920 17.525 ( -0.320 0.000 0.430) 0.536 17.544 ( -2.765 0.000 4.708) 5.460 17.847 ( 3.085 0.000 4.979) 5.857 17.916 ( 0.345 0.000 2.638) 2.661 18.295 ( 2.447 0.000 -4.265) 4.917 18.398 ( -1.934 -0.000 -9.635) 9.827 18.484 ( 7.339 0.000 0.476) 7.354 18.622 ( 4.288 0.000 -1.898) 4.690 18.753 ( -1.219 0.000 0.942) 1.541 18.806 ( 3.961 0.000 2.422) 4.643 18.945 ( -0.184 0.000 7.046) 7.048 18.982 ( -6.051 0.000 -0.700) 6.091 19.113 ( -2.509 0.000 1.256) 2.806 19.157 ( -1.664 0.000 1.809) 2.458 19.423 ( -0.727 0.000 1.125) 1.340 19.431 ( -1.452 0.000 1.524) 2.104 27.201 ( 1.485 0.000 -2.356) 2.785 27.249 ( -0.643 0.000 -2.534) 2.614 27.343 ( 2.120 0.000 -2.488) 3.269 27.396 ( 0.089 0.000 -1.854) 1.856 27.792 ( 4.068 0.000 3.300) 5.238 27.866 ( 1.788 0.000 8.752) 8.933 27.897 ( 0.204 0.000 7.961) 7.963 27.938 ( -2.997 0.000 0.787) 3.099 28.192 ( 2.026 0.000 -1.347) 2.433 28.363 ( -3.110 0.000 2.062) 3.732 28.443 ( 4.203 0.000 -1.834) 4.586 28.540 ( -2.929 0.000 -3.428) 4.509 28.874 ( 0.965 0.000 1.839) 2.076 28.978 ( -1.266 0.000 -0.971) 1.595 29.024 ( -0.624 0.000 -0.223) 0.663 29.137 ( -5.825 0.000 -0.138) 5.827 29.197 ( 2.578 0.000 2.519) 3.605 29.273 ( -4.433 0.000 1.621) 4.720 29.428 ( 2.012 0.000 -1.070) 2.279 29.435 ( -0.729 0.000 0.052) 0.731 29.957 ( -0.933 0.000 2.336) 2.515 29.965 ( -0.859 0.000 2.500) 2.643 30.222 ( 1.586 0.000 -5.994) 6.201 30.312 ( -2.198 0.000 -2.973) 3.697 30.608 ( 3.470 0.000 11.198) 11.723 30.725 ( -2.885 0.000 7.259) 7.811 31.097 ( 5.854 0.000 8.021) 9.930 31.123 ( 4.342 0.000 0.354) 4.356 31.220 ( -2.420 0.000 0.411) 2.455 31.327 ( -3.483 0.000 6.973) 7.794 31.414 ( 1.990 0.000 2.465) 3.168 31.458 ( -0.759 0.000 7.345) 7.384 31.739 ( 0.357 0.000 3.158) 3.178 31.750 ( 0.738 0.000 1.513) 1.683 31.850 ( -0.956 0.000 -1.018) 1.397 31.916 ( -5.324 0.000 1.110) 5.438 32.025 ( -0.197 0.000 -1.332) 1.347 32.084 ( -1.610 0.000 0.211) 1.624 32.171 ( 1.034 0.000 3.161) 3.326 32.253 ( -1.744 0.000 -0.787) 1.913 33.573 ( 14.740 0.000 1.849) 14.856 33.882 ( -2.297 0.000 -0.405) 2.332 34.403 ( 14.352 0.000 -10.993) 18.078 34.928 ( -7.634 0.000 -17.961) 19.517 36.267 ( 3.226 0.000 -1.692) 3.643 36.453 ( -0.128 0.000 -4.050) 4.052 36.773 ( -5.526 0.000 -6.899) 8.839 36.792 ( -4.181 0.000 -9.189) 10.095 ======================= Grid point 55 (24/48) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.495 -3.461 21.271) 21.556 1.092 ( 0.495 3.461 21.271) 21.556 1.772 ( -0.940 -6.010 -9.930) 11.645 1.772 ( 0.940 6.010 -9.930) 11.645 2.301 ( -7.684 -1.408 -4.812) 9.175 2.301 ( 7.684 1.408 -4.812) 9.175 2.550 ( -0.927 -7.347 0.037) 7.405 2.550 ( 0.927 7.347 0.037) 7.405 2.640 ( -1.376 -0.579 11.462) 11.559 2.640 ( 1.376 0.579 11.462) 11.559 3.024 ( -16.405 -0.009 -1.560) 16.479 3.024 ( 16.405 0.009 -1.560) 16.479 3.210 ( -13.412 -0.305 -3.166) 13.784 3.210 ( 13.412 0.305 -3.166) 13.784 3.398 ( -8.700 -6.204 0.672) 10.706 3.398 ( 8.700 6.204 0.672) 10.706 3.575 ( -7.133 -0.837 8.739) 11.312 3.575 ( 7.133 0.837 8.739) 11.312 3.859 ( -0.006 -0.914 1.505) 1.761 3.859 ( 0.006 0.914 1.505) 1.761 4.118 ( -1.099 -0.993 -4.831) 5.053 4.118 ( 1.099 0.993 -4.831) 5.053 4.281 ( -6.857 -0.021 5.268) 8.647 4.281 ( 6.857 0.021 5.268) 8.647 4.409 ( -0.901 -2.392 4.361) 5.055 4.409 ( 0.901 2.392 4.361) 5.055 4.547 ( -0.709 -0.582 -8.250) 8.301 4.547 ( 0.709 0.582 -8.250) 8.301 4.786 ( -2.491 -5.467 -0.780) 6.059 4.786 ( 2.491 5.467 -0.780) 6.059 5.001 ( -9.881 -1.653 0.713) 10.043 5.001 ( 9.881 1.653 0.713) 10.043 5.143 ( -8.695 -0.471 -8.395) 12.096 5.143 ( 8.695 0.471 -8.395) 12.096 5.228 ( -2.774 -5.888 -6.829) 9.434 5.228 ( 2.774 5.888 -6.829) 9.434 5.476 ( -0.316 -5.958 -2.903) 6.635 5.476 ( 0.316 5.958 -2.903) 6.635 5.616 ( -0.132 -1.021 -1.829) 2.099 5.616 ( 0.132 1.021 -1.829) 2.099 5.832 ( -0.222 -7.573 -0.230) 7.580 5.832 ( 0.222 7.573 -0.230) 7.580 6.133 ( -9.422 -0.708 -6.267) 11.338 6.133 ( 9.422 0.708 -6.267) 11.338 6.340 ( -14.802 -0.866 -7.125) 16.450 6.340 ( 14.802 0.866 -7.125) 16.450 6.446 ( -0.565 -9.461 3.428) 10.079 6.446 ( 0.565 9.461 3.428) 10.079 6.703 ( -1.482 -5.450 0.101) 5.649 6.703 ( 1.482 5.450 0.101) 5.649 6.786 ( -2.594 -3.788 0.616) 4.632 6.786 ( 2.594 3.788 0.616) 4.632 6.932 ( -3.732 -1.924 0.431) 4.221 6.932 ( 3.732 1.924 0.431) 4.221 7.201 ( -0.009 -1.346 1.089) 1.731 7.201 ( 0.009 1.346 1.089) 1.731 7.479 ( -0.001 -1.829 6.794) 7.036 7.479 ( 0.001 1.829 6.794) 7.036 7.656 ( -1.999 -3.763 4.351) 6.090 7.656 ( 1.999 3.763 4.351) 6.090 7.699 ( -3.208 -0.155 1.000) 3.364 7.699 ( 3.208 0.155 1.000) 3.364 7.836 ( -4.170 -0.699 4.446) 6.136 7.836 ( 4.170 0.699 4.446) 6.136 8.066 ( -6.021 -0.203 2.581) 6.554 8.066 ( 6.021 0.203 2.581) 6.554 8.208 ( -3.153 -0.132 4.179) 5.237 8.208 ( 3.153 0.132 4.179) 5.237 8.365 ( -0.391 -0.463 0.384) 0.717 8.365 ( 0.391 0.463 0.384) 0.717 8.473 ( -3.870 -0.018 3.895) 5.491 8.473 ( 3.870 0.018 3.895) 5.491 8.566 ( -0.004 -2.770 -1.514) 3.157 8.566 ( 0.004 2.770 -1.514) 3.157 8.795 ( -0.606 -1.332 4.484) 4.717 8.795 ( 0.606 1.332 4.484) 4.717 8.949 ( -0.007 -0.501 4.240) 4.269 8.949 ( 0.007 0.501 4.240) 4.269 9.163 ( -0.072 -0.421 4.801) 4.819 9.163 ( 0.072 0.421 4.801) 4.819 9.333 ( -8.930 -0.015 5.201) 10.335 9.333 ( 8.930 0.015 5.201) 10.335 9.503 ( -0.203 -0.156 -1.753) 1.772 9.503 ( 0.203 0.156 -1.753) 1.772 9.641 ( -2.245 -3.523 2.645) 4.944 9.641 ( 2.245 3.523 2.645) 4.944 9.835 ( -4.106 -2.190 -0.424) 4.673 9.835 ( 4.106 2.190 -0.424) 4.673 9.971 ( -1.658 -1.933 -4.617) 5.272 9.971 ( 1.658 1.933 -4.617) 5.272 10.055 ( -0.019 -2.145 -1.846) 2.830 10.055 ( 0.019 2.145 -1.846) 2.830 10.261 ( -0.109 -5.287 2.078) 5.681 10.261 ( 0.109 5.287 2.078) 5.681 10.382 ( -0.023 -6.090 3.767) 7.161 10.382 ( 0.023 6.090 3.767) 7.161 10.476 ( -0.282 -3.531 -1.434) 3.822 10.476 ( 0.282 3.531 -1.434) 3.822 10.719 ( -3.080 -1.250 -1.637) 3.705 10.719 ( 3.080 1.250 -1.637) 3.705 10.932 ( -2.961 -1.814 -2.547) 4.306 10.932 ( 2.961 1.814 -2.547) 4.306 11.136 ( -0.815 -0.432 2.505) 2.670 11.136 ( 0.815 0.432 2.505) 2.670 11.362 ( -0.164 -0.534 1.411) 1.517 11.362 ( 0.164 0.534 1.411) 1.517 11.717 ( -0.006 -1.117 -0.497) 1.223 11.717 ( 0.006 1.117 -0.497) 1.223 12.004 ( -1.314 -3.757 -4.973) 6.370 12.004 ( 1.314 3.757 -4.973) 6.370 12.146 ( -1.096 -2.138 -6.811) 7.223 12.146 ( 1.096 2.138 -6.811) 7.223 12.261 ( -0.740 -6.660 -8.347) 10.703 12.261 ( 0.740 6.660 -8.347) 10.703 12.554 ( -0.004 -1.413 -4.272) 4.499 12.554 ( 0.004 1.413 -4.272) 4.499 12.640 ( -2.243 -3.480 -1.590) 4.435 12.640 ( 2.243 3.480 -1.590) 4.435 12.739 ( -0.312 -0.064 -0.728) 0.795 12.739 ( 0.312 0.064 -0.728) 0.795 12.869 ( -0.356 -2.307 -0.106) 2.337 12.869 ( 0.356 2.307 -0.106) 2.337 13.063 ( -0.111 -0.675 -0.438) 0.813 13.063 ( 0.111 0.675 -0.438) 0.813 13.367 ( -0.714 -7.258 -1.475) 7.441 13.367 ( 0.714 7.258 -1.475) 7.441 13.658 ( -9.213 -0.220 -2.390) 9.520 13.658 ( 9.213 0.220 -2.390) 9.520 14.799 ( -2.120 -0.439 6.230) 6.596 14.799 ( 2.120 0.439 6.230) 6.596 15.184 ( -4.489 -0.029 -0.874) 4.574 15.184 ( 4.489 0.029 -0.874) 4.574 15.713 ( -4.073 -1.720 -9.397) 10.385 15.713 ( 4.073 1.720 -9.397) 10.385 16.011 ( -1.443 -2.904 1.051) 3.409 16.011 ( 1.443 2.904 1.051) 3.409 16.294 ( -0.550 -1.442 3.999) 4.287 16.294 ( 0.550 1.442 3.999) 4.287 16.361 ( -0.014 -0.605 -1.361) 1.490 16.361 ( 0.014 0.605 -1.361) 1.490 16.639 ( -4.478 -0.275 -2.180) 4.988 16.639 ( 4.478 0.275 -2.180) 4.988 16.753 ( -2.073 -0.532 7.091) 7.407 16.753 ( 2.073 0.532 7.091) 7.407 16.954 ( -2.705 -0.618 -9.660) 10.050 16.954 ( 2.705 0.618 -9.660) 10.050 17.138 ( -0.367 -2.295 -2.618) 3.501 17.138 ( 0.367 2.295 -2.618) 3.501 17.285 ( -0.000 -2.045 -0.077) 2.047 17.285 ( 0.000 2.045 -0.077) 2.047 17.416 ( -0.093 -2.916 0.883) 3.048 17.416 ( 0.093 2.916 0.883) 3.048 17.520 ( -0.001 -1.433 2.555) 2.930 17.520 ( 0.001 1.433 2.555) 2.930 17.899 ( -0.594 -3.089 3.147) 4.450 17.899 ( 0.594 3.089 3.147) 4.450 18.347 ( -0.715 -5.366 -6.440) 8.413 18.347 ( 0.715 5.366 -6.440) 8.413 18.608 ( -4.343 -0.633 -2.235) 4.925 18.608 ( 4.343 0.633 -2.235) 4.925 18.813 ( -5.555 -0.007 1.273) 5.699 18.813 ( 5.555 0.007 1.273) 5.699 18.917 ( -0.454 -5.276 6.260) 8.200 18.917 ( 0.454 5.276 6.260) 8.200 19.114 ( -2.249 -0.002 0.907) 2.425 19.114 ( 2.249 0.002 0.907) 2.425 19.417 ( -0.009 -1.009 3.357) 3.505 19.417 ( 0.009 1.009 3.357) 3.505 27.230 ( -0.757 -0.737 -3.408) 3.568 27.230 ( 0.757 0.737 -3.408) 3.568 27.379 ( -1.274 -0.317 -2.192) 2.555 27.379 ( 1.274 0.317 -2.192) 2.555 27.867 ( -3.068 -0.006 2.202) 3.776 27.867 ( 3.068 0.006 2.202) 3.776 27.897 ( -0.000 -2.442 11.355) 11.615 27.897 ( 0.000 2.442 11.355) 11.615 28.267 ( -5.048 -0.254 0.480) 5.077 28.267 ( 5.048 0.254 0.480) 5.077 28.505 ( -1.840 -0.198 -2.384) 3.018 28.505 ( 1.840 0.198 -2.384) 3.018 28.923 ( -2.922 -0.757 -0.863) 3.140 28.923 ( 2.922 0.757 -0.863) 3.140 29.044 ( -2.908 -0.011 -0.577) 2.965 29.044 ( 2.908 0.011 -0.577) 2.965 29.231 ( -0.589 -0.824 1.163) 1.542 29.231 ( 0.589 0.824 1.163) 1.542 29.437 ( -0.353 -0.020 -0.105) 0.369 29.437 ( 0.353 0.020 -0.105) 0.369 29.953 ( -0.147 -0.394 1.915) 1.960 29.953 ( 0.147 0.394 1.915) 1.960 30.263 ( -2.523 -0.030 -5.487) 6.039 30.263 ( 2.523 0.030 -5.487) 6.039 30.671 ( -2.729 -0.225 11.390) 11.714 30.671 ( 2.729 0.225 11.390) 11.714 31.167 ( -0.427 -0.062 4.314) 4.336 31.167 ( 0.427 0.062 4.314) 4.336 31.238 ( -4.909 -0.233 4.422) 6.611 31.238 ( 4.909 0.233 4.422) 6.611 31.443 ( -0.518 -0.595 6.221) 6.271 31.443 ( 0.518 0.595 6.221) 6.271 31.759 ( -0.552 -0.295 1.853) 1.956 31.759 ( 0.552 0.295 1.853) 1.956 31.837 ( -0.513 -0.988 -0.163) 1.125 31.837 ( 0.513 0.988 -0.163) 1.125 32.047 ( -1.078 -1.167 -0.331) 1.622 32.047 ( 1.078 1.167 -0.331) 1.622 32.208 ( -2.435 -0.043 1.696) 2.968 32.208 ( 2.435 0.043 1.696) 2.968 33.791 ( -7.600 -0.037 -1.210) 7.695 33.791 ( 7.600 0.037 -1.210) 7.695 34.695 ( -14.790 -0.018 -14.869) 20.972 34.695 ( 14.790 0.018 -14.869) 20.972 36.387 ( -6.702 -0.012 -3.308) 7.474 36.387 ( 6.702 0.012 -3.308) 7.474 36.727 ( -1.364 -0.068 -8.163) 8.276 36.727 ( 1.364 0.068 -8.163) 8.276 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 0.000 37.559) 37.559 1.461 ( 0.000 0.000 37.069) 37.069 1.922 ( 0.000 0.000 11.693) 11.693 2.225 ( 0.000 0.000 5.717) 5.717 2.399 ( 0.000 0.000 -15.938) 15.938 2.422 ( 0.000 0.000 4.968) 4.968 2.518 ( 0.000 0.000 -5.426) 5.426 2.766 ( 0.000 0.000 -16.237) 16.237 2.810 ( 0.000 0.000 15.461) 15.461 2.905 ( 0.000 0.000 7.130) 7.130 3.039 ( 0.000 0.000 14.335) 14.335 3.057 ( 0.000 0.000 -14.068) 14.068 3.119 ( 0.000 0.000 15.307) 15.307 3.152 ( 0.000 0.000 -2.472) 2.472 3.235 ( 0.000 0.000 8.574) 8.574 3.313 ( 0.000 0.000 13.807) 13.807 3.347 ( 0.000 0.000 4.873) 4.873 3.486 ( 0.000 0.000 6.143) 6.143 3.694 ( 0.000 0.000 0.955) 0.955 3.794 ( 0.000 0.000 -1.778) 1.778 4.012 ( 0.000 0.000 5.453) 5.453 4.037 ( 0.000 0.000 -5.478) 5.478 4.292 ( 0.000 0.000 0.160) 0.160 4.349 ( 0.000 0.000 -4.309) 4.309 4.357 ( 0.000 0.000 3.057) 3.057 4.529 ( 0.000 0.000 6.493) 6.493 4.545 ( 0.000 0.000 -25.928) 25.928 4.643 ( 0.000 0.000 -0.986) 0.986 4.783 ( 0.000 0.000 -6.094) 6.094 4.900 ( 0.000 0.000 11.063) 11.063 4.903 ( 0.000 0.000 7.811) 7.811 4.916 ( 0.000 0.000 1.376) 1.376 4.998 ( 0.000 0.000 8.292) 8.292 5.225 ( 0.000 0.000 4.612) 4.612 5.243 ( 0.000 0.000 11.497) 11.497 5.272 ( 0.000 0.000 6.950) 6.950 5.434 ( 0.000 0.000 -3.826) 3.826 5.468 ( 0.000 0.000 2.203) 2.203 5.634 ( 0.000 0.000 -1.026) 1.026 5.701 ( 0.000 0.000 4.923) 4.923 6.038 ( 0.000 0.000 14.237) 14.237 6.134 ( 0.000 0.000 -3.868) 3.868 6.189 ( 0.000 0.000 17.838) 17.838 6.230 ( 0.000 0.000 8.415) 8.415 6.341 ( 0.000 0.000 -12.290) 12.290 6.375 ( 0.000 0.000 -1.048) 1.048 6.383 ( 0.000 0.000 2.498) 2.498 6.505 ( 0.000 0.000 -17.840) 17.840 6.586 ( 0.000 0.000 -0.320) 0.320 6.715 ( 0.000 0.000 21.853) 21.853 6.745 ( 0.000 0.000 9.907) 9.907 6.972 ( 0.000 0.000 -0.658) 0.658 7.073 ( 0.000 0.000 4.571) 4.571 7.135 ( 0.000 0.000 -3.105) 3.105 7.149 ( 0.000 0.000 6.817) 6.817 7.286 ( 0.000 0.000 -4.935) 4.935 7.448 ( 0.000 0.000 -11.684) 11.684 7.586 ( 0.000 0.000 -4.013) 4.013 7.622 ( 0.000 0.000 -11.849) 11.849 7.622 ( 0.000 0.000 0.815) 0.815 7.732 ( 0.000 0.000 -12.978) 12.978 7.768 ( 0.000 0.000 -4.081) 4.081 7.794 ( 0.000 0.000 -4.881) 4.881 7.831 ( 0.000 0.000 -1.755) 1.755 7.967 ( 0.000 0.000 -10.878) 10.878 8.034 ( 0.000 0.000 -7.092) 7.092 8.074 ( 0.000 0.000 -6.710) 6.710 8.121 ( 0.000 0.000 -12.596) 12.596 8.292 ( 0.000 0.000 -3.479) 3.479 8.377 ( 0.000 0.000 0.916) 0.916 8.381 ( 0.000 0.000 -5.938) 5.938 8.445 ( 0.000 0.000 0.509) 0.509 8.543 ( 0.000 0.000 -4.576) 4.576 8.551 ( 0.000 0.000 -5.592) 5.592 8.654 ( 0.000 0.000 12.013) 12.013 8.852 ( 0.000 0.000 0.618) 0.618 8.969 ( 0.000 0.000 5.388) 5.388 8.991 ( 0.000 0.000 8.255) 8.255 9.032 ( 0.000 0.000 3.794) 3.794 9.243 ( 0.000 0.000 -2.638) 2.638 9.344 ( 0.000 0.000 3.414) 3.414 9.354 ( 0.000 0.000 1.684) 1.684 9.439 ( 0.000 0.000 -7.281) 7.281 9.479 ( 0.000 0.000 -5.960) 5.960 9.543 ( 0.000 0.000 -0.579) 0.579 9.567 ( 0.000 0.000 -1.356) 1.356 9.682 ( 0.000 0.000 3.750) 3.750 9.733 ( 0.000 0.000 0.161) 0.161 9.797 ( 0.000 0.000 0.102) 0.102 9.889 ( 0.000 0.000 3.652) 3.652 9.964 ( 0.000 0.000 -2.674) 2.674 9.987 ( 0.000 0.000 -2.581) 2.581 10.140 ( 0.000 0.000 12.759) 12.759 10.215 ( 0.000 0.000 1.962) 1.962 10.255 ( 0.000 0.000 8.733) 8.733 10.447 ( 0.000 0.000 -2.003) 2.003 10.473 ( 0.000 0.000 8.984) 8.984 10.484 ( 0.000 0.000 -8.030) 8.030 10.609 ( 0.000 0.000 -6.419) 6.419 10.822 ( 0.000 0.000 -6.616) 6.616 10.862 ( 0.000 0.000 -1.372) 1.372 10.974 ( 0.000 0.000 0.149) 0.149 10.987 ( 0.000 0.000 -3.401) 3.401 11.198 ( 0.000 0.000 -7.435) 7.435 11.297 ( 0.000 0.000 5.037) 5.037 11.394 ( 0.000 0.000 6.642) 6.642 11.501 ( 0.000 0.000 -3.925) 3.925 11.854 ( 0.000 0.000 -8.733) 8.733 11.986 ( 0.000 0.000 -2.562) 2.562 12.055 ( 0.000 0.000 -14.848) 14.848 12.067 ( 0.000 0.000 -1.872) 1.872 12.134 ( 0.000 0.000 -0.604) 0.604 12.167 ( 0.000 0.000 3.846) 3.846 12.241 ( 0.000 0.000 4.941) 4.941 12.312 ( 0.000 0.000 3.302) 3.302 12.489 ( 0.000 0.000 -8.760) 8.760 12.519 ( 0.000 0.000 2.935) 2.935 12.667 ( 0.000 0.000 -6.920) 6.920 12.768 ( 0.000 0.000 -3.930) 3.930 12.768 ( 0.000 0.000 -13.037) 13.037 12.810 ( 0.000 0.000 -0.108) 0.108 12.907 ( 0.000 0.000 3.435) 3.435 12.908 ( 0.000 0.000 -5.676) 5.676 13.033 ( 0.000 0.000 -5.065) 5.065 13.287 ( 0.000 0.000 -0.082) 0.082 13.440 ( 0.000 0.000 -10.363) 10.363 13.729 ( 0.000 0.000 1.016) 1.016 13.735 ( 0.000 0.000 -0.107) 0.107 14.999 ( 0.000 0.000 7.041) 7.041 15.176 ( 0.000 0.000 7.282) 7.282 15.183 ( 0.000 0.000 -0.997) 0.997 15.496 ( 0.000 0.000 -8.059) 8.059 15.951 ( 0.000 0.000 3.983) 3.983 15.967 ( 0.000 0.000 8.285) 8.285 16.015 ( 0.000 0.000 -1.801) 1.801 16.033 ( 0.000 0.000 0.577) 0.577 16.148 ( 0.000 0.000 10.180) 10.180 16.176 ( 0.000 0.000 9.316) 9.316 16.337 ( 0.000 0.000 -0.897) 0.897 16.398 ( 0.000 0.000 0.082) 0.082 16.593 ( 0.000 0.000 11.658) 11.658 16.626 ( 0.000 0.000 10.377) 10.377 16.792 ( 0.000 0.000 1.437) 1.437 16.899 ( 0.000 0.000 -1.997) 1.997 16.936 ( 0.000 0.000 3.429) 3.429 17.026 ( 0.000 0.000 -7.959) 7.959 17.031 ( 0.000 0.000 -3.538) 3.538 17.141 ( 0.000 0.000 -8.342) 8.342 17.214 ( 0.000 0.000 4.871) 4.871 17.234 ( 0.000 0.000 -3.398) 3.398 17.288 ( 0.000 0.000 -8.446) 8.446 17.476 ( 0.000 0.000 -6.698) 6.698 17.762 ( 0.000 0.000 2.567) 2.567 17.791 ( 0.000 0.000 2.607) 2.607 17.848 ( 0.000 0.000 12.842) 12.842 17.907 ( 0.000 0.000 3.583) 3.583 18.235 ( 0.000 0.000 -2.029) 2.029 18.294 ( 0.000 0.000 5.560) 5.560 18.381 ( 0.000 0.000 -6.412) 6.412 18.405 ( 0.000 0.000 1.498) 1.498 18.749 ( 0.000 0.000 4.168) 4.168 18.850 ( 0.000 0.000 5.665) 5.665 18.960 ( 0.000 0.000 -7.164) 7.164 19.050 ( 0.000 0.000 -7.441) 7.441 19.146 ( 0.000 0.000 1.598) 1.598 19.163 ( 0.000 0.000 8.853) 8.853 19.389 ( 0.000 0.000 -9.394) 9.394 19.461 ( 0.000 0.000 -3.443) 3.443 27.148 ( 0.000 0.000 -1.476) 1.476 27.156 ( 0.000 0.000 -2.666) 2.666 27.312 ( 0.000 0.000 3.108) 3.108 27.441 ( 0.000 0.000 -2.741) 2.741 27.781 ( 0.000 0.000 -0.162) 0.162 27.840 ( 0.000 0.000 6.238) 6.238 27.862 ( 0.000 0.000 -5.756) 5.756 27.945 ( 0.000 0.000 1.445) 1.445 28.151 ( 0.000 0.000 -2.908) 2.908 28.176 ( 0.000 0.000 -3.372) 3.372 28.539 ( 0.000 0.000 2.867) 2.867 28.641 ( 0.000 0.000 -2.610) 2.610 29.008 ( 0.000 0.000 2.466) 2.466 29.099 ( 0.000 0.000 1.007) 1.007 29.104 ( 0.000 0.000 0.281) 0.281 29.113 ( 0.000 0.000 0.724) 0.724 29.295 ( 0.000 0.000 5.560) 5.560 29.397 ( 0.000 0.000 3.313) 3.313 29.418 ( 0.000 0.000 2.211) 2.211 29.433 ( 0.000 0.000 -0.115) 0.115 29.997 ( 0.000 0.000 0.286) 0.286 30.004 ( 0.000 0.000 -0.383) 0.383 30.127 ( 0.000 0.000 8.850) 8.850 30.363 ( 0.000 0.000 -0.840) 0.840 30.715 ( 0.000 0.000 3.136) 3.136 30.835 ( 0.000 0.000 -1.485) 1.485 30.917 ( 0.000 0.000 -0.086) 0.086 30.982 ( 0.000 0.000 -5.349) 5.349 31.333 ( 0.000 0.000 1.742) 1.742 31.349 ( 0.000 0.000 8.373) 8.373 31.428 ( 0.000 0.000 -3.528) 3.528 31.546 ( 0.000 0.000 -1.023) 1.023 31.790 ( 0.000 0.000 2.400) 2.400 31.821 ( 0.000 0.000 6.221) 6.221 31.879 ( 0.000 0.000 -1.692) 1.692 32.015 ( 0.000 0.000 4.834) 4.834 32.085 ( 0.000 0.000 5.603) 5.603 32.112 ( 0.000 0.000 3.167) 3.167 32.134 ( 0.000 0.000 -4.419) 4.419 32.223 ( 0.000 0.000 -3.832) 3.832 33.510 ( 0.000 0.000 6.309) 6.309 33.899 ( 0.000 0.000 -12.270) 12.270 34.048 ( 0.000 0.000 11.432) 11.432 34.750 ( 0.000 0.000 -19.235) 19.235 36.111 ( 0.000 0.000 9.211) 9.211 36.496 ( 0.000 0.000 2.586) 2.586 36.650 ( 0.000 0.000 -15.691) 15.691 36.777 ( 0.000 0.000 -9.169) 9.169 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 37.551 0.000 13.850) 40.024 1.606 ( 13.264 0.000 30.640) 33.388 2.126 ( -11.149 0.000 -9.937) 14.934 2.128 ( 15.442 0.000 7.770) 17.287 2.346 ( -4.726 0.000 2.930) 5.560 2.520 ( 9.083 0.000 -0.867) 9.124 2.528 ( 3.164 0.000 12.888) 13.271 2.682 ( -8.515 0.000 -4.822) 9.785 2.776 ( -4.892 0.000 23.212) 23.722 2.873 ( 0.229 0.000 -3.479) 3.487 2.910 ( 1.164 0.000 5.600) 5.720 3.059 ( 2.595 0.000 10.804) 11.111 3.081 ( -1.545 0.000 2.286) 2.759 3.203 ( 1.510 0.000 13.050) 13.137 3.270 ( 0.382 0.000 -3.618) 3.638 3.339 ( -1.285 0.000 -3.659) 3.878 3.438 ( 5.360 0.000 10.488) 11.779 3.637 ( 7.015 0.000 5.510) 8.920 3.738 ( -1.416 0.000 -4.845) 5.047 3.890 ( -3.470 0.000 -9.642) 10.247 3.898 ( 1.381 0.000 -3.134) 3.425 3.984 ( -1.392 0.000 5.386) 5.563 4.122 ( -17.560 0.000 -2.980) 17.811 4.263 ( -11.659 0.000 -7.364) 13.790 4.273 ( 3.393 0.000 -2.586) 4.266 4.383 ( -2.632 0.000 -2.164) 3.407 4.519 ( -1.810 0.000 -13.412) 13.533 4.604 ( -6.833 0.000 0.150) 6.835 4.657 ( -10.308 0.000 -3.062) 10.753 4.808 ( -5.875 0.000 7.703) 9.688 4.881 ( -6.041 0.000 7.765) 9.838 4.965 ( 3.244 0.000 -3.738) 4.949 5.015 ( -0.659 0.000 1.382) 1.531 5.126 ( -7.877 0.000 5.743) 9.749 5.256 ( -12.632 0.000 12.687) 17.903 5.430 ( 12.676 0.000 3.782) 13.228 5.442 ( 8.183 0.000 9.698) 12.689 5.521 ( 6.681 0.000 -0.074) 6.681 5.585 ( 7.211 0.000 8.604) 11.226 5.845 ( -17.948 0.000 10.121) 20.605 5.859 ( 1.690 0.000 -2.204) 2.777 5.973 ( -7.561 0.000 -8.960) 11.724 6.129 ( -11.283 0.000 -0.481) 11.293 6.139 ( 1.371 0.000 5.841) 6.000 6.314 ( -8.485 0.000 -5.116) 9.908 6.359 ( 1.962 0.000 -7.911) 8.150 6.431 ( -4.123 0.000 -5.602) 6.956 6.512 ( 8.911 0.000 -3.775) 9.678 6.533 ( -5.520 0.000 -7.101) 8.994 6.728 ( 7.558 0.000 12.168) 14.324 6.862 ( -8.722 0.000 7.580) 11.556 6.986 ( -11.485 0.000 -11.164) 16.017 7.082 ( -1.009 0.000 4.031) 4.156 7.105 ( 7.178 0.000 0.112) 7.179 7.176 ( 11.571 0.000 12.921) 17.344 7.193 ( -9.399 0.000 -0.740) 9.428 7.382 ( -0.826 0.000 -11.956) 11.984 7.538 ( 0.590 0.000 -0.036) 0.591 7.682 ( 2.057 0.000 5.655) 6.017 7.686 ( 5.922 0.000 0.112) 5.923 7.717 ( 1.801 0.000 -5.800) 6.073 7.788 ( 1.465 0.000 -6.329) 6.497 7.888 ( 7.814 0.000 1.025) 7.881 7.902 ( 5.851 0.000 2.138) 6.229 7.937 ( 2.080 0.000 -7.303) 7.593 8.062 ( 3.506 0.000 -3.872) 5.224 8.185 ( 3.929 0.000 -8.932) 9.758 8.214 ( 2.291 0.000 0.344) 2.317 8.379 ( 0.591 0.000 -0.805) 0.999 8.383 ( 0.731 0.000 -1.538) 1.703 8.477 ( 7.838 0.000 -0.125) 7.839 8.533 ( 14.533 0.000 -7.203) 16.220 8.575 ( 4.805 0.000 -2.471) 5.403 8.614 ( 2.175 0.000 -5.962) 6.346 8.628 ( -0.338 0.000 7.312) 7.319 8.820 ( 0.790 0.000 1.435) 1.639 8.938 ( -1.519 0.000 5.846) 6.040 8.982 ( -0.489 0.000 9.248) 9.261 9.091 ( 2.337 0.000 0.230) 2.349 9.237 ( -3.844 0.000 0.568) 3.886 9.299 ( -1.819 0.000 -5.137) 5.449 9.337 ( 0.840 0.000 4.448) 4.527 9.479 ( 2.803 0.000 -0.922) 2.951 9.514 ( 0.492 0.000 -7.595) 7.611 9.579 ( -4.019 0.000 1.707) 4.367 9.619 ( -0.594 0.000 -1.166) 1.309 9.620 ( -6.713 0.000 2.873) 7.301 9.657 ( 6.453 0.000 -1.165) 6.557 9.872 ( 7.710 0.000 -1.122) 7.791 9.897 ( -0.500 0.000 -1.190) 1.291 9.927 ( -3.931 0.000 -1.852) 4.345 9.970 ( 1.875 0.000 -0.697) 2.001 10.182 ( 3.083 0.000 9.650) 10.130 10.212 ( -5.449 0.000 10.347) 11.694 10.266 ( 3.790 0.000 4.548) 5.920 10.402 ( 1.475 0.000 2.409) 2.824 10.462 ( 0.609 0.000 -3.973) 4.020 10.501 ( 3.484 0.000 3.842) 5.186 10.709 ( 7.159 0.000 -11.289) 13.367 10.789 ( -3.193 0.000 0.731) 3.276 10.834 ( -2.273 0.000 1.856) 2.935 10.962 ( -1.589 0.000 -5.729) 5.945 11.040 ( 2.725 0.000 -5.332) 5.988 11.181 ( -2.363 0.000 -6.584) 6.995 11.307 ( 1.433 0.000 5.748) 5.924 11.403 ( 0.978 0.000 6.336) 6.411 11.501 ( 0.285 0.000 -3.212) 3.224 11.827 ( -3.320 0.000 -9.327) 9.900 11.923 ( -4.880 0.000 -3.377) 5.935 11.934 ( -4.487 0.000 -2.423) 5.099 12.084 ( 0.029 0.000 -3.647) 3.647 12.107 ( -4.679 0.000 4.275) 6.338 12.168 ( 0.266 0.000 -0.594) 0.651 12.257 ( 3.583 0.000 -2.664) 4.465 12.419 ( 3.906 0.000 -2.629) 4.709 12.427 ( -1.472 0.000 -4.999) 5.211 12.617 ( -1.988 0.000 -4.206) 4.652 12.677 ( 8.403 0.000 -1.893) 8.614 12.753 ( -2.437 0.000 -3.422) 4.201 12.801 ( 0.169 0.000 -0.977) 0.991 12.861 ( 4.121 0.000 -8.211) 9.187 12.885 ( 0.187 0.000 -1.194) 1.209 12.949 ( 2.540 0.000 -0.202) 2.548 13.167 ( 11.496 0.000 -9.325) 14.802 13.323 ( 3.281 0.000 0.920) 3.407 13.491 ( 4.032 0.000 -8.307) 9.234 13.582 ( -11.730 0.000 -2.091) 11.914 13.643 ( -10.515 0.000 -5.265) 11.759 14.981 ( -1.193 0.000 6.822) 6.925 15.103 ( -5.480 0.000 4.673) 7.202 15.166 ( -1.848 0.000 -1.387) 2.310 15.303 ( -15.025 0.000 -4.143) 15.585 15.849 ( -8.326 0.000 8.628) 11.990 15.891 ( -8.327 0.000 2.589) 8.720 15.993 ( -4.202 0.000 -2.295) 4.788 16.004 ( 2.016 0.000 2.551) 3.251 16.182 ( 0.729 0.000 5.442) 5.491 16.247 ( 4.627 0.000 6.398) 7.896 16.389 ( -0.590 0.000 1.715) 1.813 16.419 ( 6.662 0.000 -1.168) 6.764 16.562 ( -0.218 0.000 9.025) 9.028 16.581 ( -9.231 0.000 5.146) 10.568 16.715 ( 5.979 0.000 10.377) 11.976 16.835 ( -3.196 0.000 -3.003) 4.385 16.961 ( -6.918 0.000 -9.562) 11.802 17.001 ( 3.101 0.000 1.730) 3.551 17.060 ( 1.368 0.000 -1.255) 1.856 17.113 ( -1.766 0.000 -6.654) 6.884 17.214 ( -0.792 0.000 -3.225) 3.321 17.217 ( 0.176 0.000 4.209) 4.212 17.329 ( 1.970 0.000 -5.197) 5.558 17.455 ( -2.252 0.000 -5.909) 6.323 17.767 ( 2.512 0.000 4.911) 5.516 17.836 ( -0.379 0.000 9.462) 9.470 17.903 ( 4.193 0.000 0.137) 4.195 17.920 ( 0.389 0.000 4.264) 4.282 18.245 ( 1.964 0.000 -0.467) 2.019 18.299 ( 2.069 0.000 2.270) 3.071 18.435 ( 4.194 0.000 -6.600) 7.820 18.452 ( 2.601 0.000 -0.674) 2.687 18.741 ( -0.244 0.000 5.076) 5.082 18.865 ( 1.457 0.000 4.838) 5.053 18.919 ( -2.481 0.000 -1.049) 2.694 19.011 ( -3.584 0.000 -4.695) 5.907 19.150 ( -0.465 0.000 0.979) 1.084 19.250 ( 5.734 0.000 4.184) 7.098 19.380 ( -0.186 0.000 -7.127) 7.130 19.440 ( -1.932 0.000 -2.183) 2.916 27.137 ( 0.025 0.000 -0.994) 0.994 27.192 ( 2.651 0.000 -3.107) 4.084 27.294 ( -1.499 0.000 3.257) 3.586 27.487 ( 1.970 0.000 -5.513) 5.855 27.788 ( 0.461 0.000 1.560) 1.627 27.845 ( 0.482 0.000 6.102) 6.121 27.896 ( 4.409 0.000 -2.946) 5.303 27.994 ( 4.495 0.000 1.385) 4.703 28.142 ( 0.691 0.000 -1.236) 1.416 28.246 ( 5.374 0.000 -3.118) 6.213 28.491 ( -2.943 0.000 3.366) 4.471 28.612 ( -3.748 0.000 -3.216) 4.938 28.981 ( -2.541 0.000 2.109) 3.302 29.052 ( -4.446 0.000 4.388) 6.246 29.077 ( -2.614 0.000 -0.601) 2.682 29.113 ( -1.280 0.000 0.612) 1.419 29.265 ( -1.626 0.000 4.243) 4.543 29.370 ( -1.118 0.000 0.157) 1.128 29.393 ( -1.638 0.000 2.221) 2.760 29.449 ( 0.643 0.000 0.171) 0.666 29.942 ( -1.452 0.000 3.989) 4.245 30.070 ( 2.308 0.000 -3.618) 4.291 30.077 ( -4.199 0.000 7.404) 8.511 30.323 ( -4.092 0.000 -3.089) 5.127 30.742 ( 4.161 0.000 7.304) 8.406 30.898 ( 0.756 0.000 3.811) 3.885 30.991 ( 10.921 0.000 -3.769) 11.554 31.087 ( 6.850 0.000 -4.495) 8.192 31.358 ( 2.607 0.000 2.630) 3.703 31.372 ( 2.080 0.000 7.346) 7.635 31.456 ( 2.768 0.000 -2.593) 3.793 31.546 ( 0.084 0.000 -0.458) 0.465 31.782 ( 0.086 0.000 3.357) 3.358 31.800 ( -1.904 0.000 5.660) 5.972 31.902 ( 0.938 0.000 1.181) 1.509 32.006 ( -1.526 0.000 5.216) 5.435 32.061 ( -2.872 0.000 -0.471) 2.910 32.095 ( -1.665 0.000 2.483) 2.989 32.112 ( -0.862 0.000 1.789) 1.986 32.228 ( 0.100 0.000 -4.688) 4.689 33.566 ( 5.529 0.000 5.399) 7.728 33.973 ( 7.068 0.000 -13.503) 15.241 34.009 ( -3.529 0.000 9.641) 10.267 34.683 ( -6.231 0.000 -21.478) 22.363 36.135 ( 2.436 0.000 7.541) 7.924 36.476 ( -1.815 0.000 1.094) 2.119 36.631 ( -1.887 0.000 -15.333) 15.449 36.725 ( -4.975 0.000 -9.202) 10.461 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 9.390 0.000 22.521) 24.400 1.883 ( -3.181 0.000 5.807) 6.622 2.209 ( 28.211 0.000 -3.927) 28.483 2.213 ( 4.502 0.000 9.076) 10.131 2.382 ( 0.391 0.000 0.578) 0.698 2.426 ( -11.352 0.000 17.779) 21.094 2.688 ( 10.707 0.000 6.838) 12.704 2.734 ( -0.489 0.000 13.382) 13.391 2.764 ( 7.271 0.000 -6.055) 9.463 2.909 ( -3.459 0.000 -8.055) 8.767 2.922 ( 0.593 0.000 16.592) 16.603 3.010 ( -2.907 0.000 9.190) 9.638 3.073 ( -3.520 0.000 7.845) 8.598 3.215 ( -4.414 0.000 -1.810) 4.771 3.222 ( 1.090 0.000 3.311) 3.486 3.395 ( 5.894 0.000 0.549) 5.920 3.512 ( -14.600 0.000 -13.958) 20.199 3.514 ( 4.103 0.000 -3.084) 5.133 3.694 ( 1.963 0.000 5.605) 5.939 3.754 ( -4.510 0.000 -10.960) 11.852 3.805 ( -2.065 0.000 11.991) 12.168 3.985 ( -1.860 0.000 -4.791) 5.139 4.055 ( -11.498 0.000 -12.982) 17.342 4.159 ( 5.706 0.000 -1.497) 5.899 4.260 ( -3.810 0.000 -9.754) 10.472 4.364 ( 3.743 0.000 -14.689) 15.158 4.460 ( -8.060 0.000 -0.824) 8.102 4.505 ( 4.674 0.000 -1.219) 4.830 4.635 ( 5.505 0.000 3.935) 6.767 4.694 ( -8.463 0.000 -1.050) 8.528 4.821 ( 1.908 0.000 3.086) 3.628 4.937 ( -5.379 0.000 -1.332) 5.541 4.978 ( 1.264 0.000 -6.350) 6.475 5.027 ( 0.085 0.000 5.938) 5.938 5.113 ( -5.013 0.000 5.539) 7.471 5.467 ( -5.232 0.000 7.229) 8.924 5.507 ( -7.821 0.000 2.988) 8.373 5.604 ( 3.446 0.000 -1.722) 3.852 5.615 ( -3.373 0.000 7.219) 7.968 5.745 ( 4.298 0.000 -3.386) 5.472 5.762 ( -14.313 0.000 -7.026) 15.945 5.871 ( -0.780 0.000 -4.601) 4.666 5.902 ( -8.129 0.000 -13.359) 15.638 6.162 ( -1.609 0.000 -1.814) 2.425 6.163 ( -7.750 0.000 -12.876) 15.028 6.306 ( -3.352 0.000 5.105) 6.108 6.438 ( 6.646 0.000 2.087) 6.966 6.456 ( -2.634 0.000 -9.677) 10.029 6.562 ( 0.180 0.000 1.504) 1.515 6.718 ( -1.882 0.000 -9.326) 9.514 6.857 ( 3.503 0.000 12.757) 13.230 6.952 ( 3.254 0.000 8.216) 8.837 7.015 ( -4.412 0.000 11.181) 12.020 7.120 ( 5.626 0.000 0.977) 5.710 7.166 ( 1.774 0.000 -2.882) 3.385 7.293 ( -5.997 0.000 0.843) 6.056 7.452 ( 8.079 0.000 1.956) 8.312 7.554 ( 0.473 0.000 1.343) 1.424 7.681 ( 0.106 0.000 1.962) 1.964 7.698 ( -0.377 0.000 -0.860) 0.939 7.798 ( -0.365 0.000 -2.262) 2.292 7.809 ( -1.474 0.000 -4.335) 4.579 7.915 ( 3.887 0.000 -0.734) 3.956 8.004 ( 3.560 0.000 2.131) 4.149 8.140 ( 3.531 0.000 -2.429) 4.286 8.150 ( 6.208 0.000 -0.797) 6.259 8.234 ( 2.917 0.000 -5.712) 6.414 8.276 ( 0.915 0.000 1.730) 1.957 8.345 ( -1.463 0.000 8.058) 8.190 8.384 ( -1.363 0.000 0.900) 1.633 8.530 ( 0.178 0.000 11.436) 11.438 8.582 ( -1.484 0.000 1.618) 2.195 8.627 ( 5.742 0.000 1.963) 6.068 8.727 ( 2.881 0.000 3.250) 4.343 8.780 ( 10.574 0.000 -3.801) 11.236 8.915 ( -0.320 0.000 10.054) 10.059 8.940 ( 1.969 0.000 3.873) 4.345 9.093 ( 3.401 0.000 -1.018) 3.550 9.120 ( 2.918 0.000 -2.809) 4.051 9.130 ( 3.811 0.000 2.321) 4.463 9.294 ( -4.868 0.000 5.355) 7.237 9.301 ( 1.594 0.000 -6.159) 6.362 9.380 ( -3.495 0.000 -2.008) 4.031 9.523 ( -1.467 0.000 3.214) 3.533 9.539 ( -3.374 0.000 0.226) 3.382 9.581 ( 0.569 0.000 1.862) 1.947 9.681 ( 3.891 0.000 -3.221) 5.052 9.748 ( 5.059 0.000 1.000) 5.157 9.843 ( -0.889 0.000 0.199) 0.911 9.946 ( 3.302 0.000 3.683) 4.947 9.976 ( 7.281 0.000 -5.835) 9.330 10.038 ( -0.696 0.000 3.818) 3.880 10.166 ( 1.613 0.000 11.582) 11.693 10.210 ( -0.151 0.000 8.153) 8.155 10.313 ( 0.793 0.000 7.785) 7.825 10.466 ( 0.400 0.000 4.385) 4.404 10.546 ( 7.249 0.000 -2.552) 7.685 10.593 ( 3.895 0.000 5.351) 6.618 10.737 ( -4.013 0.000 -1.323) 4.226 10.746 ( 1.056 0.000 1.792) 2.080 10.880 ( 6.805 0.000 -7.825) 10.370 10.908 ( -3.482 0.000 -10.654) 11.208 11.031 ( -3.508 0.000 -4.685) 5.853 11.115 ( -4.064 0.000 -7.138) 8.214 11.367 ( 4.607 0.000 3.797) 5.971 11.426 ( 1.270 0.000 4.150) 4.340 11.523 ( 2.115 0.000 -4.142) 4.651 11.722 ( -6.598 0.000 -9.561) 11.616 11.840 ( -4.341 0.000 -1.843) 4.716 11.885 ( -1.728 0.000 0.447) 1.785 12.056 ( -0.147 0.000 0.928) 0.940 12.062 ( -1.100 0.000 -7.128) 7.212 12.162 ( -2.234 0.000 -3.827) 4.432 12.221 ( -6.841 0.000 -2.513) 7.288 12.439 ( 0.564 0.000 -10.456) 10.471 12.470 ( 4.295 0.000 -8.714) 9.715 12.643 ( 3.713 0.000 1.857) 4.152 12.678 ( -3.578 0.000 1.641) 3.936 12.776 ( -2.824 0.000 0.263) 2.836 12.798 ( 3.077 0.000 -2.659) 4.067 12.865 ( 1.137 0.000 -3.003) 3.211 12.975 ( -2.030 0.000 6.119) 6.447 12.983 ( 4.667 0.000 -8.199) 9.434 13.169 ( -9.476 0.000 1.704) 9.628 13.390 ( 2.626 0.000 0.721) 2.723 13.395 ( -6.743 0.000 -10.451) 12.437 13.535 ( 3.007 0.000 -17.809) 18.061 13.547 ( 1.276 0.000 -4.004) 4.203 14.971 ( 0.062 0.000 6.387) 6.387 15.002 ( -4.316 0.000 3.839) 5.776 15.120 ( -2.217 0.000 -1.230) 2.535 15.125 ( -2.573 0.000 -1.329) 2.896 15.679 ( -6.383 0.000 7.588) 9.915 15.744 ( -6.314 0.000 1.785) 6.562 15.916 ( -2.789 0.000 -5.411) 6.088 16.004 ( -3.434 0.000 -1.085) 3.602 16.228 ( 6.402 0.000 -2.761) 6.972 16.313 ( 1.926 0.000 3.961) 4.404 16.353 ( -1.579 0.000 -4.585) 4.849 16.530 ( 3.928 0.000 0.133) 3.930 16.566 ( 3.067 0.000 7.970) 8.539 16.576 ( -0.835 0.000 2.711) 2.837 16.786 ( -4.477 0.000 -5.448) 7.052 16.791 ( -1.462 0.000 -3.266) 3.579 16.859 ( 5.370 0.000 4.975) 7.320 17.045 ( 1.254 0.000 3.933) 4.128 17.076 ( 0.488 0.000 -1.297) 1.386 17.091 ( -0.668 0.000 -2.629) 2.713 17.184 ( -2.678 0.000 0.181) 2.684 17.209 ( -1.316 0.000 2.014) 2.406 17.350 ( 0.367 0.000 -3.928) 3.945 17.397 ( -3.076 0.000 -5.057) 5.920 17.820 ( 2.512 0.000 4.167) 4.866 17.845 ( 1.145 0.000 5.982) 6.090 17.912 ( -0.984 0.000 2.979) 3.137 17.924 ( -0.882 0.000 1.640) 1.862 18.317 ( 4.843 0.000 2.046) 5.258 18.367 ( 3.824 0.000 0.234) 3.831 18.481 ( 0.700 0.000 -2.097) 2.211 18.499 ( 1.691 0.000 -5.135) 5.406 18.750 ( 1.299 0.000 4.797) 4.970 18.882 ( -1.605 0.000 -0.041) 1.605 18.889 ( -0.492 0.000 0.696) 0.852 18.935 ( -2.922 0.000 -1.720) 3.391 19.130 ( -0.092 0.000 5.251) 5.252 19.283 ( -3.245 0.000 3.542) 4.804 19.399 ( 1.802 0.000 -3.454) 3.895 19.424 ( 0.819 0.000 -0.229) 0.850 27.155 ( 1.799 0.000 0.025) 1.799 27.255 ( -2.518 0.000 2.631) 3.642 27.257 ( 4.079 0.000 -3.817) 5.587 27.455 ( -4.663 0.000 -6.197) 7.756 27.818 ( 2.328 0.000 5.863) 6.308 27.855 ( 0.351 0.000 6.301) 6.311 28.007 ( 5.645 0.000 -0.754) 5.695 28.075 ( 2.559 0.000 -0.883) 2.707 28.200 ( 5.708 0.000 3.195) 6.541 28.360 ( 5.835 0.000 -1.635) 6.060 28.454 ( -1.861 0.000 1.866) 2.635 28.507 ( -5.858 0.000 -1.213) 5.982 28.925 ( -2.724 0.000 1.205) 2.979 28.953 ( -4.639 0.000 3.709) 5.939 29.017 ( -3.087 0.000 -2.215) 3.799 29.045 ( -4.707 0.000 -1.255) 4.871 29.271 ( 1.950 0.000 3.089) 3.653 29.359 ( -1.947 0.000 2.704) 3.332 29.382 ( 1.792 0.000 -1.239) 2.178 29.448 ( -0.827 0.000 -0.178) 0.846 29.932 ( 0.197 0.000 4.731) 4.735 29.997 ( -3.496 0.000 5.502) 6.518 30.102 ( 1.525 0.000 -4.796) 5.033 30.226 ( -5.110 0.000 -5.229) 7.311 30.847 ( 5.448 0.000 10.681) 11.991 30.929 ( 1.337 0.000 8.761) 8.863 31.164 ( 6.301 0.000 -3.523) 7.219 31.194 ( 3.702 0.000 -3.837) 5.332 31.419 ( 2.804 0.000 6.587) 7.159 31.437 ( 5.338 0.000 5.174) 7.434 31.514 ( 1.978 0.000 1.147) 2.286 31.552 ( 0.463 0.000 1.474) 1.545 31.761 ( -1.611 0.000 3.789) 4.117 31.784 ( -0.881 0.000 4.709) 4.790 31.909 ( 0.627 0.000 5.110) 5.148 31.947 ( -3.403 0.000 0.743) 3.483 32.009 ( -1.811 0.000 3.323) 3.785 32.045 ( -3.412 0.000 1.570) 3.755 32.118 ( 1.188 0.000 3.048) 3.271 32.210 ( -2.152 0.000 -3.110) 3.782 33.700 ( 7.474 0.000 3.554) 8.276 33.929 ( -4.451 0.000 5.596) 7.150 34.147 ( 10.209 0.000 -16.690) 19.564 34.534 ( -8.818 0.000 -23.302) 24.914 36.208 ( 5.140 0.000 3.370) 6.146 36.429 ( -3.409 0.000 -1.850) 3.879 36.586 ( -2.390 0.000 -13.997) 14.199 36.611 ( -5.538 0.000 -9.291) 10.816 ======================= Grid point 73 (28/48) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -0.401 0.000 16.644) 16.649 1.906 ( 0.401 0.000 16.644) 16.649 2.264 ( -0.194 0.000 7.034) 7.037 2.264 ( 0.194 0.000 7.034) 7.037 2.515 ( -1.001 0.000 -3.278) 3.427 2.515 ( 1.001 0.000 -3.278) 3.427 2.705 ( -0.050 0.000 13.908) 13.908 2.705 ( 0.050 0.000 13.908) 13.908 2.836 ( -6.270 0.000 11.247) 12.876 2.836 ( 6.270 0.000 11.247) 12.876 2.973 ( -4.729 0.000 3.811) 6.073 2.973 ( 4.729 0.000 3.811) 6.073 3.090 ( -3.304 0.000 -7.861) 8.527 3.090 ( 3.304 0.000 -7.861) 8.527 3.182 ( -1.172 0.000 0.177) 1.185 3.182 ( 1.172 0.000 0.177) 1.185 3.632 ( -6.156 0.000 4.553) 7.657 3.632 ( 6.156 0.000 4.553) 7.657 3.781 ( -2.612 0.000 2.568) 3.663 3.781 ( 2.612 0.000 2.568) 3.663 3.856 ( -0.303 0.000 -16.363) 16.366 3.856 ( 0.303 0.000 -16.363) 16.366 4.015 ( -10.539 0.000 -13.187) 16.881 4.015 ( 10.539 0.000 -13.187) 16.881 4.326 ( -4.744 0.000 -0.734) 4.800 4.326 ( 4.744 0.000 -0.734) 4.800 4.430 ( -2.432 0.000 -4.039) 4.715 4.430 ( 2.432 0.000 -4.039) 4.715 4.662 ( -0.010 0.000 -5.468) 5.468 4.662 ( 0.010 0.000 -5.468) 5.468 4.896 ( -1.755 0.000 1.432) 2.265 4.896 ( 1.755 0.000 1.432) 2.265 4.998 ( -0.394 0.000 2.625) 2.654 4.998 ( 0.394 0.000 2.625) 2.654 5.286 ( -21.596 0.000 -13.077) 25.247 5.286 ( 21.596 0.000 -13.077) 25.247 5.454 ( -1.318 0.000 4.347) 4.542 5.454 ( 1.318 0.000 4.347) 4.542 5.594 ( -0.127 0.000 8.278) 8.279 5.594 ( 0.127 0.000 8.278) 8.279 5.777 ( -6.086 0.000 -12.090) 13.535 5.777 ( 6.086 0.000 -12.090) 13.535 5.981 ( -8.685 0.000 -7.055) 11.189 5.981 ( 8.685 0.000 -7.055) 11.189 6.216 ( -3.648 0.000 1.181) 3.834 6.216 ( 3.648 0.000 1.181) 3.834 6.443 ( -1.613 0.000 -5.355) 5.592 6.443 ( 1.613 0.000 -5.355) 5.592 6.750 ( -11.278 0.000 9.177) 14.540 6.750 ( 11.278 0.000 9.177) 14.540 6.938 ( -15.698 0.000 4.373) 16.296 6.938 ( 15.698 0.000 4.373) 16.296 6.988 ( -4.158 0.000 7.131) 8.255 6.988 ( 4.158 0.000 7.131) 8.255 7.242 ( -0.256 0.000 0.992) 1.025 7.242 ( 0.256 0.000 0.992) 1.025 7.546 ( -0.152 0.000 -1.742) 1.749 7.546 ( 0.152 0.000 -1.742) 1.749 7.695 ( -0.001 0.000 3.540) 3.540 7.695 ( 0.001 0.000 3.540) 3.540 7.772 ( -0.000 0.000 -5.575) 5.575 7.772 ( 0.000 0.000 -5.575) 5.575 8.026 ( -2.714 0.000 -1.180) 2.959 8.026 ( 2.714 0.000 -1.180) 2.959 8.167 ( -0.081 0.000 -0.571) 0.577 8.167 ( 0.081 0.000 -0.571) 0.577 8.256 ( -0.030 0.000 -4.819) 4.819 8.256 ( 0.030 0.000 -4.819) 4.819 8.339 ( -0.247 0.000 6.672) 6.676 8.339 ( 0.247 0.000 6.672) 6.676 8.565 ( -0.831 0.000 0.310) 0.887 8.565 ( 0.831 0.000 0.310) 0.887 8.775 ( -2.874 0.000 11.969) 12.310 8.775 ( 2.874 0.000 11.969) 12.310 8.830 ( -0.373 0.000 11.761) 11.767 8.830 ( 0.373 0.000 11.761) 11.767 9.007 ( -3.034 0.000 2.432) 3.889 9.007 ( 3.034 0.000 2.432) 3.889 9.232 ( -0.184 0.000 -2.823) 2.829 9.232 ( 0.184 0.000 -2.823) 2.829 9.247 ( -5.105 0.000 -4.618) 6.884 9.247 ( 5.105 0.000 -4.618) 6.884 9.456 ( -4.494 0.000 -7.020) 8.335 9.456 ( 4.494 0.000 -7.020) 8.335 9.551 ( -2.688 0.000 7.212) 7.697 9.551 ( 2.688 0.000 7.212) 7.697 9.783 ( -4.990 0.000 5.494) 7.422 9.783 ( 4.990 0.000 5.494) 7.422 9.905 ( -6.089 0.000 5.966) 8.524 9.905 ( 6.089 0.000 5.966) 8.524 10.044 ( -0.402 0.000 1.511) 1.563 10.044 ( 0.402 0.000 1.511) 1.563 10.199 ( -1.619 0.000 8.059) 8.220 10.199 ( 1.619 0.000 8.059) 8.220 10.381 ( -4.021 0.000 6.808) 7.907 10.381 ( 4.021 0.000 6.808) 7.907 10.624 ( -0.001 0.000 2.607) 2.607 10.624 ( 0.001 0.000 2.607) 2.607 10.742 ( -4.220 0.000 -3.397) 5.417 10.742 ( 4.220 0.000 -3.397) 5.417 10.907 ( -3.496 0.000 -3.543) 4.978 10.907 ( 3.496 0.000 -3.543) 4.978 11.023 ( -4.903 0.000 -9.265) 10.482 11.023 ( 4.903 0.000 -9.265) 10.482 11.439 ( -0.857 0.000 2.045) 2.217 11.439 ( 0.857 0.000 2.045) 2.217 11.594 ( -5.112 0.000 -8.142) 9.613 11.594 ( 5.112 0.000 -8.142) 9.613 11.818 ( -0.886 0.000 -0.944) 1.295 11.818 ( 0.886 0.000 -0.944) 1.295 12.086 ( -0.141 0.000 -11.582) 11.583 12.086 ( 0.141 0.000 -11.582) 11.583 12.101 ( -0.450 0.000 1.867) 1.921 12.101 ( 0.450 0.000 1.867) 1.921 12.479 ( -1.932 0.000 -11.359) 11.522 12.479 ( 1.932 0.000 -11.359) 11.522 12.686 ( -1.210 0.000 2.396) 2.685 12.686 ( 1.210 0.000 2.396) 2.685 12.762 ( -4.551 0.000 3.771) 5.910 12.762 ( 4.551 0.000 3.771) 5.910 12.896 ( -1.723 0.000 -2.176) 2.775 12.896 ( 1.723 0.000 -2.176) 2.775 13.060 ( -2.591 0.000 -5.356) 5.950 13.060 ( 2.591 0.000 -5.356) 5.950 13.382 ( -0.605 0.000 -6.211) 6.240 13.382 ( 0.605 0.000 -6.211) 6.240 13.563 ( -0.028 0.000 -5.181) 5.181 13.563 ( 0.028 0.000 -5.181) 5.181 14.969 ( -0.006 0.000 5.570) 5.570 14.969 ( 0.006 0.000 5.570) 5.570 15.104 ( -0.156 0.000 -0.517) 0.540 15.104 ( 0.156 0.000 -0.517) 0.540 15.651 ( -1.341 0.000 1.473) 1.992 15.651 ( 1.341 0.000 1.473) 1.992 15.919 ( -1.313 0.000 -5.817) 5.963 15.919 ( 1.313 0.000 -5.817) 5.963 16.322 ( -0.166 0.000 -0.148) 0.222 16.322 ( 0.166 0.000 -0.148) 0.222 16.434 ( -10.017 0.000 -5.520) 11.437 16.434 ( 10.017 0.000 -5.520) 11.437 16.588 ( -0.510 0.000 2.907) 2.951 16.588 ( 0.510 0.000 2.907) 2.951 16.767 ( -1.193 0.000 -3.053) 3.277 16.767 ( 1.193 0.000 -3.053) 3.277 17.001 ( -6.289 0.000 5.253) 8.195 17.001 ( 6.289 0.000 5.253) 8.195 17.081 ( -0.043 0.000 2.220) 2.221 17.081 ( 0.043 0.000 2.220) 2.221 17.168 ( -0.665 0.000 0.270) 0.718 17.168 ( 0.665 0.000 0.270) 0.718 17.358 ( -0.885 0.000 -4.991) 5.068 17.358 ( 0.885 0.000 -4.991) 5.068 17.857 ( -0.053 0.000 3.296) 3.297 17.857 ( 0.053 0.000 3.296) 3.297 17.902 ( -0.235 0.000 2.915) 2.924 17.902 ( 0.235 0.000 2.915) 2.924 18.395 ( -1.053 0.000 1.962) 2.227 18.395 ( 1.053 0.000 1.962) 2.227 18.498 ( -0.672 0.000 -2.578) 2.664 18.498 ( 0.672 0.000 -2.578) 2.664 18.803 ( -3.753 0.000 1.609) 4.083 18.803 ( 3.753 0.000 1.609) 4.083 18.900 ( -0.234 0.000 -2.146) 2.159 18.900 ( 0.234 0.000 -2.146) 2.159 19.186 ( -4.897 0.000 6.791) 8.372 19.186 ( 4.897 0.000 6.791) 8.372 19.429 ( -0.209 0.000 -1.217) 1.235 19.429 ( 0.209 0.000 -1.217) 1.235 27.201 ( -2.723 0.000 1.286) 3.011 27.201 ( 2.723 0.000 1.286) 3.011 27.350 ( -4.984 0.000 -4.622) 6.797 27.350 ( 4.984 0.000 -4.622) 6.797 27.852 ( -0.211 0.000 6.719) 6.723 27.852 ( 0.211 0.000 6.719) 6.723 28.082 ( -0.469 0.000 -0.505) 0.689 28.082 ( 0.469 0.000 -0.505) 0.689 28.340 ( -7.786 0.000 3.153) 8.400 28.340 ( 7.786 0.000 3.153) 8.400 28.448 ( -2.115 0.000 -0.311) 2.138 28.448 ( 2.115 0.000 -0.311) 2.138 28.899 ( -0.148 0.000 1.058) 1.069 28.899 ( 0.148 0.000 1.058) 1.069 28.986 ( -0.353 0.000 -2.717) 2.739 28.986 ( 0.353 0.000 -2.717) 2.739 29.316 ( -2.083 0.000 2.843) 3.524 29.316 ( 2.083 0.000 2.843) 3.524 29.420 ( -1.664 0.000 -0.798) 1.845 29.420 ( 1.664 0.000 -0.798) 1.845 29.948 ( -1.082 0.000 4.731) 4.853 29.948 ( 1.082 0.000 4.731) 4.853 30.145 ( -3.062 0.000 -5.323) 6.141 30.145 ( 3.062 0.000 -5.323) 6.141 30.924 ( -1.667 0.000 10.849) 10.976 30.924 ( 1.667 0.000 10.849) 10.976 31.227 ( -0.094 0.000 -3.839) 3.841 31.227 ( 0.094 0.000 -3.839) 3.841 31.485 ( -2.149 0.000 6.200) 6.562 31.485 ( 2.149 0.000 6.200) 6.562 31.538 ( -2.608 0.000 4.718) 5.391 31.538 ( 2.608 0.000 4.718) 5.391 31.754 ( -0.903 0.000 3.487) 3.602 31.754 ( 0.903 0.000 3.487) 3.602 31.921 ( -0.004 0.000 2.597) 2.597 31.921 ( 0.004 0.000 2.597) 2.597 31.993 ( -0.192 0.000 3.245) 3.251 31.993 ( 0.192 0.000 3.245) 3.251 32.156 ( -2.727 0.000 0.449) 2.763 32.156 ( 2.727 0.000 0.449) 2.763 33.832 ( -5.764 0.000 3.102) 6.546 33.832 ( 5.764 0.000 3.102) 6.546 34.348 ( -10.155 0.000 -20.803) 23.149 34.348 ( 10.155 0.000 -20.803) 23.149 36.327 ( -6.553 0.000 -1.003) 6.629 36.327 ( 6.553 0.000 -1.003) 6.629 36.557 ( -0.000 0.000 -11.382) 11.382 36.557 ( 0.000 0.000 -11.382) 11.382 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 23.531 26.727) 35.609 1.402 ( 0.000 -1.947 20.858) 20.949 1.876 ( 0.000 -5.154 -1.776) 5.451 2.315 ( 0.000 -5.564 -5.608) 7.900 2.397 ( 0.000 -9.322 10.045) 13.704 2.435 ( 0.000 8.111 -14.187) 16.342 2.502 ( 0.000 -1.401 -1.022) 1.734 2.562 ( 0.000 10.188 4.435) 11.112 2.704 ( 0.000 -13.271 6.116) 14.613 2.855 ( 0.000 -8.112 8.331) 11.628 2.964 ( 0.000 -4.433 6.632) 7.977 2.988 ( 0.000 -11.027 3.181) 11.477 3.059 ( 0.000 -5.530 -5.866) 8.062 3.189 ( 0.000 3.821 9.149) 9.915 3.288 ( 0.000 3.673 5.126) 6.306 3.399 ( 0.000 -0.531 -4.160) 4.193 3.556 ( 0.000 17.163 4.811) 17.824 3.597 ( 0.000 14.465 19.286) 24.108 3.713 ( 0.000 -0.673 3.156) 3.227 3.737 ( 0.000 0.272 8.118) 8.122 3.869 ( 0.000 -2.366 11.075) 11.325 4.011 ( 0.000 -1.400 -3.988) 4.227 4.268 ( 0.000 1.007 -3.870) 3.999 4.320 ( 0.000 -11.315 -10.154) 15.203 4.409 ( 0.000 -8.894 -6.202) 10.842 4.526 ( 0.000 9.742 4.133) 10.583 4.604 ( 0.000 2.159 3.935) 4.489 4.640 ( 0.000 -10.377 -8.738) 13.566 4.717 ( 0.000 -4.470 -5.330) 6.956 4.819 ( 0.000 10.544 -6.810) 12.552 4.920 ( 0.000 -4.801 8.027) 9.353 5.067 ( 0.000 2.311 7.263) 7.622 5.098 ( 0.000 6.166 10.701) 12.351 5.296 ( 0.000 20.602 5.028) 21.207 5.299 ( 0.000 1.250 3.327) 3.554 5.398 ( 0.000 3.076 5.855) 6.614 5.403 ( 0.000 9.745 18.694) 21.082 5.589 ( 0.000 5.164 2.905) 5.925 5.665 ( 0.000 0.153 4.504) 4.506 5.766 ( 0.000 8.646 -4.787) 9.882 5.961 ( 0.000 -10.278 7.884) 12.953 6.038 ( 0.000 -2.395 7.411) 7.788 6.161 ( 0.000 -6.236 5.269) 8.164 6.189 ( 0.000 -6.483 1.426) 6.638 6.306 ( 0.000 2.320 2.361) 3.310 6.378 ( 0.000 -1.370 -6.706) 6.845 6.484 ( 0.000 -1.209 0.114) 1.215 6.559 ( 0.000 0.811 1.081) 1.352 6.593 ( 0.000 12.665 1.271) 12.729 6.685 ( 0.000 -3.672 19.362) 19.707 6.753 ( 0.000 1.391 2.606) 2.954 6.891 ( 0.000 -6.321 -2.245) 6.707 7.045 ( 0.000 -2.952 4.047) 5.010 7.064 ( 0.000 -5.683 2.189) 6.090 7.172 ( 0.000 -0.021 -5.500) 5.500 7.232 ( 0.000 -5.238 -5.859) 7.859 7.445 ( 0.000 3.782 -6.370) 7.408 7.528 ( 0.000 -3.364 -7.441) 8.166 7.561 ( 0.000 -5.469 -6.195) 8.264 7.582 ( 0.000 -4.244 -12.713) 13.403 7.759 ( 0.000 1.104 -2.005) 2.289 7.807 ( 0.000 3.627 -4.039) 5.428 7.852 ( 0.000 1.758 -6.432) 6.668 7.853 ( 0.000 -4.344 -6.900) 8.154 7.947 ( 0.000 6.794 -3.431) 7.612 8.042 ( 0.000 0.648 -13.775) 13.790 8.081 ( 0.000 -0.086 -11.941) 11.941 8.107 ( 0.000 -4.455 -11.005) 11.873 8.278 ( 0.000 -1.506 -4.050) 4.321 8.327 ( 0.000 0.343 2.110) 2.138 8.370 ( 0.000 -3.940 0.974) 4.059 8.385 ( 0.000 -0.969 -6.850) 6.918 8.519 ( 0.000 -0.627 1.309) 1.451 8.582 ( 0.000 4.694 -4.795) 6.710 8.620 ( 0.000 -1.978 7.469) 7.727 8.804 ( 0.000 -2.395 -0.707) 2.497 8.968 ( 0.000 1.181 6.563) 6.669 9.085 ( 0.000 4.970 5.966) 7.765 9.177 ( 0.000 2.322 2.265) 3.244 9.213 ( 0.000 -3.999 -3.999) 5.655 9.326 ( 0.000 2.326 2.663) 3.536 9.331 ( 0.000 -1.495 -2.656) 3.048 9.461 ( 0.000 4.543 -1.322) 4.732 9.520 ( 0.000 -0.294 -3.616) 3.628 9.590 ( 0.000 4.977 1.704) 5.261 9.655 ( 0.000 -1.220 6.516) 6.629 9.673 ( 0.000 4.221 -2.088) 4.709 9.759 ( 0.000 4.789 -0.240) 4.795 9.833 ( 0.000 2.560 0.027) 2.560 9.895 ( 0.000 -0.248 2.479) 2.491 9.927 ( 0.000 -4.419 -3.411) 5.583 9.995 ( 0.000 2.588 -1.125) 2.822 10.202 ( 0.000 4.850 11.576) 12.551 10.235 ( 0.000 1.890 2.504) 3.137 10.300 ( 0.000 2.540 5.881) 6.406 10.374 ( 0.000 -3.468 -4.116) 5.382 10.489 ( 0.000 1.781 6.987) 7.210 10.525 ( 0.000 0.540 -3.876) 3.914 10.600 ( 0.000 -0.870 -3.113) 3.232 10.688 ( 0.000 -6.906 -0.427) 6.919 10.873 ( 0.000 0.480 -0.382) 0.613 10.971 ( 0.000 -0.110 0.854) 0.861 11.086 ( 0.000 3.144 -7.403) 8.043 11.246 ( 0.000 4.218 -7.652) 8.738 11.289 ( 0.000 -0.279 5.173) 5.181 11.417 ( 0.000 1.534 6.371) 6.553 11.511 ( 0.000 2.975 -3.465) 4.567 11.783 ( 0.000 -4.228 -5.869) 7.233 11.950 ( 0.000 -4.430 -7.788) 8.960 11.989 ( 0.000 -3.509 1.252) 3.726 12.114 ( 0.000 4.145 -11.688) 12.401 12.126 ( 0.000 -2.059 -0.725) 2.183 12.261 ( 0.000 7.295 1.302) 7.410 12.307 ( 0.000 7.385 0.193) 7.387 12.371 ( 0.000 4.274 2.846) 5.135 12.523 ( 0.000 1.002 2.188) 2.407 12.590 ( 0.000 4.770 -4.209) 6.362 12.666 ( 0.000 0.194 -6.329) 6.332 12.741 ( 0.000 -6.356 -5.778) 8.590 12.778 ( 0.000 -0.436 -9.349) 9.359 12.806 ( 0.000 0.881 2.172) 2.344 12.878 ( 0.000 2.505 -8.595) 8.952 12.934 ( 0.000 0.368 1.813) 1.850 13.017 ( 0.000 -1.769 -3.098) 3.567 13.235 ( 0.000 -8.530 -3.431) 9.194 13.242 ( 0.000 -3.934 -0.927) 4.041 13.493 ( 0.000 -18.700 -0.070) 18.701 13.706 ( 0.000 -6.822 -11.694) 13.538 15.048 ( 0.000 4.957 7.472) 8.967 15.116 ( 0.000 -1.840 5.658) 5.950 15.236 ( 0.000 1.397 0.302) 1.429 15.387 ( 0.000 -8.419 -3.608) 9.160 15.933 ( 0.000 -0.622 4.655) 4.696 15.962 ( 0.000 0.177 6.625) 6.627 16.037 ( 0.000 0.075 1.652) 1.654 16.049 ( 0.000 1.552 -2.221) 2.710 16.103 ( 0.000 -2.846 9.745) 10.153 16.187 ( 0.000 -1.053 10.673) 10.725 16.304 ( 0.000 -1.271 -0.372) 1.324 16.374 ( 0.000 -2.486 1.747) 3.038 16.564 ( 0.000 -0.397 10.342) 10.349 16.704 ( 0.000 4.961 4.569) 6.745 16.747 ( 0.000 -1.430 4.856) 5.062 16.916 ( 0.000 -0.683 -3.797) 3.858 17.003 ( 0.000 5.274 1.977) 5.632 17.046 ( 0.000 3.005 -0.338) 3.024 17.152 ( 0.000 4.544 -6.764) 8.149 17.161 ( 0.000 -0.552 0.270) 0.614 17.224 ( 0.000 3.867 -5.616) 6.818 17.297 ( 0.000 4.890 1.084) 5.009 17.318 ( 0.000 4.277 -6.501) 7.782 17.502 ( 0.000 1.173 -6.549) 6.653 17.687 ( 0.000 -5.921 4.148) 7.229 17.753 ( 0.000 0.383 4.702) 4.718 17.918 ( 0.000 0.057 2.763) 2.764 17.928 ( 0.000 0.375 5.226) 5.239 18.235 ( 0.000 -1.604 1.572) 2.246 18.240 ( 0.000 -0.218 -1.452) 1.469 18.401 ( 0.000 -1.327 -3.601) 3.837 18.431 ( 0.000 0.165 -2.688) 2.693 18.672 ( 0.000 -0.010 6.161) 6.161 18.789 ( 0.000 -2.151 3.136) 3.803 18.968 ( 0.000 -0.373 -4.804) 4.818 19.019 ( 0.000 -4.957 -3.268) 5.937 19.168 ( 0.000 1.750 4.499) 4.828 19.205 ( 0.000 4.233 1.226) 4.407 19.383 ( 0.000 -0.949 -7.297) 7.358 19.430 ( 0.000 -2.646 -3.870) 4.688 27.166 ( 0.000 1.469 -1.209) 1.902 27.172 ( 0.000 1.217 -2.200) 2.515 27.300 ( 0.000 -1.037 2.817) 3.002 27.409 ( 0.000 -2.627 -1.300) 2.931 27.750 ( 0.000 -2.440 3.304) 4.107 27.801 ( 0.000 1.891 -0.268) 1.909 27.921 ( 0.000 -2.172 1.681) 2.747 27.937 ( 0.000 1.574 -2.151) 2.666 28.164 ( 0.000 0.961 -3.479) 3.610 28.184 ( 0.000 0.628 -4.006) 4.055 28.496 ( 0.000 -2.893 3.599) 4.618 28.614 ( 0.000 -1.903 -3.016) 3.566 29.012 ( 0.000 0.781 2.911) 3.014 29.102 ( 0.000 1.921 -0.710) 2.048 29.122 ( 0.000 -0.549 2.707) 2.762 29.160 ( 0.000 2.320 3.192) 3.946 29.242 ( 0.000 -2.442 2.973) 3.848 29.309 ( 0.000 -4.876 0.849) 4.949 29.462 ( 0.000 2.540 2.993) 3.926 29.500 ( 0.000 3.297 -0.976) 3.438 30.037 ( 0.000 2.483 -0.042) 2.484 30.057 ( 0.000 4.233 -1.116) 4.377 30.138 ( 0.000 0.829 8.491) 8.532 30.359 ( 0.000 -0.329 -0.507) 0.605 30.675 ( 0.000 -2.711 5.099) 5.775 30.826 ( 0.000 -0.692 -1.972) 2.090 30.915 ( 0.000 -0.265 0.299) 0.400 30.966 ( 0.000 -1.397 -2.449) 2.820 31.277 ( 0.000 -1.092 1.334) 1.724 31.361 ( 0.000 -3.828 -2.180) 4.405 31.473 ( 0.000 5.942 5.412) 8.037 31.571 ( 0.000 0.220 2.290) 2.301 31.750 ( 0.000 -0.497 2.498) 2.547 31.856 ( 0.000 0.506 3.162) 3.202 31.890 ( 0.000 1.005 0.056) 1.007 31.991 ( 0.000 -2.030 2.067) 2.897 32.081 ( 0.000 0.712 6.214) 6.254 32.095 ( 0.000 -2.538 -5.047) 5.649 32.158 ( 0.000 2.591 0.577) 2.654 32.232 ( 0.000 0.246 -2.185) 2.198 33.477 ( 0.000 -2.068 11.455) 11.640 33.893 ( 0.000 -0.385 -11.332) 11.338 34.036 ( 0.000 -0.936 10.518) 10.560 34.687 ( 0.000 -3.883 -17.429) 17.857 36.184 ( 0.000 4.901 3.670) 6.123 36.476 ( 0.000 -1.649 3.042) 3.460 36.648 ( 0.000 -0.118 -15.183) 15.183 36.772 ( 0.000 -0.399 -9.455) 9.464 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 12.268 -2.269 21.337) 24.717 1.550 ( 22.844 7.682 10.114) 26.137 1.897 ( -4.239 -8.689 -4.288) 10.576 2.211 ( -6.293 -8.282 1.634) 10.530 2.276 ( -8.785 -3.684 -4.273) 10.441 2.447 ( 5.080 -2.518 4.890) 7.488 2.516 ( -8.743 -10.042 9.686) 16.465 2.623 ( 4.279 2.681 -4.565) 6.807 2.677 ( -0.873 -5.556 2.555) 6.177 2.740 ( -0.881 -1.437 7.924) 8.101 2.878 ( -3.110 -6.319 3.783) 7.994 2.995 ( -2.361 -3.321 5.203) 6.609 3.143 ( -2.294 -5.638 -4.579) 7.617 3.252 ( 2.277 -0.881 0.190) 2.449 3.323 ( 5.034 4.685 7.421) 10.118 3.404 ( 7.451 -5.906 9.836) 13.680 3.551 ( -2.262 11.534 19.244) 22.549 3.646 ( -1.424 12.801 -1.686) 12.990 3.687 ( 8.244 -5.179 -6.109) 11.494 3.827 ( 7.145 2.170 3.856) 8.404 3.921 ( -7.155 2.057 4.854) 8.887 4.030 ( 9.226 4.701 1.904) 10.528 4.183 ( -0.033 4.047 -1.729) 4.401 4.302 ( -5.581 4.366 -7.288) 10.165 4.363 ( -9.217 1.712 1.905) 9.566 4.444 ( -1.410 3.119 -12.038) 12.515 4.566 ( -8.071 -0.179 -4.590) 9.286 4.632 ( -1.055 5.545 -2.665) 6.242 4.691 ( -5.757 8.214 -2.562) 10.353 4.786 ( 1.631 -2.618 1.984) 3.668 4.931 ( -3.466 -4.232 8.242) 9.892 5.011 ( -2.761 3.339 5.532) 7.026 5.080 ( -10.172 4.076 9.371) 14.419 5.193 ( -3.683 11.890 1.354) 12.521 5.287 ( 0.235 -4.124 0.653) 4.182 5.336 ( 3.422 -0.800 5.557) 6.575 5.440 ( -3.627 4.386 2.904) 6.390 5.593 ( 4.030 0.013 6.063) 7.280 5.680 ( 1.510 1.503 7.066) 7.380 5.755 ( -9.914 2.189 6.220) 11.907 5.888 ( -2.866 -0.164 -2.147) 3.585 5.934 ( -6.199 -4.216 1.647) 7.675 6.092 ( -6.696 -1.348 -2.402) 7.241 6.179 ( -1.589 -3.482 0.128) 3.830 6.258 ( -1.561 3.562 2.841) 4.816 6.368 ( -0.405 -1.804 0.068) 1.851 6.465 ( 0.894 3.314 -1.698) 3.829 6.515 ( -0.113 1.637 -3.070) 3.481 6.619 ( -1.060 1.378 -0.606) 1.840 6.711 ( 3.289 1.601 2.860) 4.644 6.797 ( -5.399 -4.350 3.217) 7.643 6.927 ( -7.965 -3.436 -9.877) 13.146 6.998 ( -5.832 -3.145 -5.218) 8.434 7.117 ( 5.806 -1.267 7.028) 9.203 7.192 ( 6.094 -0.450 3.277) 6.934 7.268 ( 0.579 -1.968 -4.599) 5.036 7.338 ( 0.410 -2.292 0.307) 2.349 7.445 ( -2.644 -5.201 -4.009) 7.079 7.527 ( 4.674 -9.809 1.406) 10.956 7.600 ( -0.956 -5.524 -3.331) 6.521 7.712 ( -1.922 -0.474 -4.472) 4.891 7.782 ( 0.819 1.074 -0.090) 1.354 7.841 ( 0.531 -1.986 -3.280) 3.870 7.931 ( -1.314 -0.603 -5.878) 6.053 8.002 ( 6.196 1.580 -1.225) 6.510 8.073 ( 7.368 0.990 -4.438) 8.658 8.174 ( 5.577 3.671 -2.585) 7.160 8.225 ( 3.654 -0.270 -3.004) 4.738 8.357 ( 2.789 -4.036 -5.715) 7.532 8.367 ( 2.179 -0.197 -2.862) 3.603 8.438 ( 6.152 0.451 -1.565) 6.364 8.510 ( 12.010 -1.372 -6.399) 13.678 8.560 ( 4.757 2.392 1.008) 5.419 8.628 ( 3.102 0.765 5.083) 6.003 8.692 ( 6.848 3.736 -1.662) 7.976 8.839 ( 3.727 -1.562 -0.541) 4.078 8.975 ( -0.312 3.795 8.941) 9.718 9.077 ( -0.743 4.058 4.543) 6.137 9.193 ( -1.444 3.704 0.762) 4.048 9.217 ( 0.903 -1.003 -3.035) 3.322 9.303 ( 2.186 4.022 3.301) 5.644 9.352 ( -5.103 0.242 -0.284) 5.116 9.474 ( 4.408 -3.375 -3.842) 6.751 9.494 ( -3.555 0.490 -0.634) 3.644 9.598 ( -0.394 1.959 2.280) 3.032 9.639 ( 2.748 2.594 -1.140) 3.947 9.703 ( -0.240 5.065 0.796) 5.133 9.730 ( -4.021 3.062 -0.788) 5.115 9.860 ( 4.256 1.116 -0.438) 4.422 9.900 ( 4.042 -0.293 -0.503) 4.083 9.938 ( 1.609 2.685 1.160) 3.338 10.033 ( 1.331 3.094 -0.512) 3.407 10.174 ( -3.449 0.997 8.336) 9.076 10.220 ( 0.261 -0.722 4.335) 4.403 10.305 ( -0.684 2.760 4.628) 5.432 10.368 ( 1.199 -3.510 -3.167) 4.878 10.432 ( -1.463 0.782 4.533) 4.827 10.519 ( 2.094 -0.500 -1.132) 2.432 10.653 ( 3.018 -3.542 -2.571) 5.317 10.729 ( 3.868 -3.880 -3.013) 6.252 10.831 ( -4.136 -0.690 2.110) 4.694 10.947 ( -1.676 0.664 -1.347) 2.250 11.103 ( -0.296 1.740 -6.930) 7.151 11.230 ( -2.175 3.224 -5.511) 6.745 11.303 ( 1.606 0.289 4.675) 4.952 11.421 ( 0.385 1.306 6.023) 6.175 11.532 ( 1.935 3.961 -2.760) 5.201 11.775 ( -0.916 -3.645 -7.093) 8.027 11.889 ( -4.619 -3.733 -2.526) 6.454 11.958 ( -6.057 1.932 -3.812) 7.413 12.016 ( -0.782 -0.984 -2.335) 2.652 12.130 ( -1.749 0.149 0.781) 1.921 12.245 ( -0.862 4.862 -6.627) 8.264 12.333 ( 0.430 5.241 -2.243) 5.717 12.412 ( 0.316 0.889 -2.037) 2.245 12.480 ( -2.730 2.544 -3.837) 5.353 12.608 ( -0.332 -0.434 -2.741) 2.795 12.670 ( 3.021 -0.916 -2.840) 4.246 12.716 ( -0.124 -4.389 -3.018) 5.328 12.820 ( -0.023 -0.111 -0.332) 0.350 12.861 ( -0.939 1.407 -5.117) 5.389 12.880 ( 5.968 0.652 -1.471) 6.181 12.958 ( 1.827 -0.369 0.784) 2.022 13.126 ( 4.084 -6.430 -3.579) 8.416 13.222 ( 2.730 -5.591 -3.225) 7.008 13.315 ( 4.497 -4.592 -0.331) 6.436 13.436 ( -2.587 -10.571 -6.213) 12.532 13.704 ( -0.869 -1.937 -12.074) 12.260 15.018 ( -2.603 3.457 7.542) 8.696 15.090 ( -2.285 -0.410 4.131) 4.739 15.190 ( -5.075 1.327 0.498) 5.269 15.282 ( -8.165 -2.209 -3.390) 9.113 15.793 ( -8.931 -2.562 7.920) 12.209 15.928 ( -7.118 0.582 4.486) 8.434 15.981 ( -3.793 -0.087 -0.739) 3.866 16.023 ( 1.111 0.452 -1.203) 1.699 16.137 ( 1.956 -2.086 8.359) 8.835 16.262 ( 4.119 -0.292 5.642) 6.991 16.372 ( 1.323 -1.183 1.083) 2.079 16.419 ( 4.834 -1.471 0.895) 5.131 16.507 ( -0.706 0.466 5.985) 6.044 16.653 ( -7.055 2.481 2.966) 8.045 16.736 ( 0.995 1.500 5.735) 6.011 16.897 ( -3.667 3.915 2.609) 5.965 16.923 ( -3.005 -1.907 -5.327) 6.406 16.987 ( -2.909 1.415 -4.811) 5.797 17.120 ( -2.274 4.187 -1.393) 4.964 17.189 ( 0.789 1.141 1.139) 1.795 17.210 ( -0.594 2.724 -4.861) 5.603 17.238 ( -2.524 1.942 -1.555) 3.544 17.372 ( 1.760 3.530 -2.975) 4.940 17.473 ( -2.783 0.598 -5.637) 6.315 17.669 ( -0.243 -5.921 5.957) 8.403 17.795 ( 1.753 -2.607 3.044) 4.375 17.892 ( -1.781 -2.081 5.934) 6.535 17.967 ( 1.606 0.598 1.505) 2.280 18.232 ( 1.837 -0.184 1.187) 2.195 18.291 ( 2.636 -0.404 -0.906) 2.817 18.399 ( 2.879 -2.706 -2.159) 4.502 18.493 ( 2.777 0.408 -5.904) 6.538 18.701 ( 2.387 1.480 5.611) 6.275 18.821 ( 2.185 -2.555 3.590) 4.919 18.917 ( -1.902 0.470 -1.421) 2.420 19.029 ( -1.487 -0.733 -5.780) 6.013 19.166 ( 0.479 1.101 5.573) 5.701 19.269 ( 3.793 1.207 1.702) 4.329 19.375 ( -0.231 -0.229 -4.016) 4.029 19.431 ( 0.294 -0.859 -3.305) 3.427 27.153 ( 0.023 1.301 -0.515) 1.399 27.209 ( 2.421 1.542 -2.606) 3.877 27.285 ( -1.376 -0.831 2.553) 3.017 27.429 ( 0.712 -4.572 -3.239) 5.648 27.774 ( 2.956 -0.395 3.878) 4.892 27.843 ( 2.760 1.988 1.174) 3.599 27.944 ( 1.559 1.318 -1.412) 2.482 27.974 ( 4.883 -1.925 2.052) 5.636 28.145 ( 0.516 0.060 -1.268) 1.370 28.264 ( 5.608 1.481 -3.849) 6.961 28.463 ( -2.215 -2.038 3.185) 4.382 28.583 ( -3.659 -1.969 -3.230) 5.263 28.989 ( -2.786 0.613 2.620) 3.873 29.044 ( -3.516 -0.634 3.701) 5.144 29.066 ( -3.845 0.051 1.445) 4.108 29.173 ( -0.894 2.980 -0.573) 3.164 29.255 ( -0.772 -1.058 3.110) 3.375 29.338 ( 2.820 -1.763 -0.908) 3.448 29.417 ( -4.358 1.605 2.149) 5.117 29.458 ( -1.785 1.044 0.869) 2.243 29.993 ( -1.957 3.514 2.626) 4.804 30.083 ( -1.600 1.324 2.614) 3.338 30.098 ( -1.051 1.382 1.135) 2.074 30.322 ( -3.878 -0.148 -2.864) 4.823 30.724 ( 5.123 -1.335 7.824) 9.447 30.887 ( 0.613 -0.806 4.504) 4.617 30.967 ( 10.407 -1.665 -3.310) 11.047 31.071 ( 6.687 -1.299 -2.120) 7.134 31.299 ( 1.714 -1.899 2.215) 3.383 31.370 ( 1.906 -2.159 -0.054) 2.880 31.490 ( 1.253 2.988 4.654) 5.671 31.579 ( 0.608 0.764 2.380) 2.573 31.749 ( 0.273 0.280 3.218) 3.242 31.836 ( -1.351 0.609 3.583) 3.877 31.899 ( -0.035 0.008 1.432) 1.433 31.987 ( -1.335 -1.875 0.016) 2.302 32.057 ( -2.064 0.792 3.377) 4.036 32.084 ( -0.762 -0.742 -0.046) 1.064 32.161 ( 0.120 3.007 0.597) 3.068 32.225 ( -0.452 -0.462 -3.394) 3.455 33.534 ( 5.602 -2.177 9.246) 11.027 33.961 ( 6.014 -0.523 -11.026) 12.570 34.006 ( -2.295 -0.569 7.292) 7.666 34.646 ( -4.207 -2.426 -20.291) 20.864 36.187 ( 0.770 3.767 4.102) 5.623 36.456 ( -1.808 -1.631 1.572) 2.898 36.627 ( -2.066 -0.280 -14.726) 14.873 36.722 ( -4.853 -0.282 -9.474) 10.648 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -13.006 -9.822 6.416) 17.515 1.786 ( 5.905 -11.030 13.919) 18.715 1.964 ( 2.520 -14.709 3.416) 15.309 2.114 ( 2.044 -14.522 -4.895) 15.460 2.272 ( -3.620 -9.822 0.731) 10.493 2.333 ( 5.753 -7.481 4.253) 10.351 2.456 ( 0.894 -13.693 -0.366) 13.727 2.579 ( -2.195 -11.554 4.081) 12.448 2.704 ( -0.891 -3.318 3.028) 4.579 2.871 ( 7.015 -0.576 12.305) 14.176 2.925 ( 10.412 2.775 -0.854) 10.809 3.009 ( 3.694 -4.768 4.458) 7.501 3.049 ( -3.667 1.949 10.333) 11.136 3.274 ( -0.390 2.602 -2.495) 3.626 3.424 ( 0.607 0.970 2.386) 2.646 3.456 ( 1.695 5.404 1.002) 5.752 3.563 ( -2.693 -1.344 7.464) 8.048 3.651 ( -0.081 12.452 1.783) 12.579 3.756 ( -7.731 8.563 -8.078) 14.083 3.844 ( -1.418 4.562 -7.839) 9.180 3.965 ( -5.657 12.538 3.147) 14.111 4.062 ( 3.881 8.448 1.988) 9.507 4.120 ( 1.650 5.969 0.250) 6.198 4.165 ( -0.331 -1.016 -7.940) 8.012 4.282 ( -0.016 5.558 -7.674) 9.475 4.405 ( -3.702 8.421 0.531) 9.213 4.471 ( 2.343 3.983 -5.492) 7.178 4.582 ( -1.761 -1.748 1.733) 3.027 4.675 ( -3.135 6.046 -7.318) 9.997 4.810 ( 3.776 0.467 2.314) 4.454 4.853 ( -2.683 3.532 0.960) 4.538 4.922 ( -5.970 3.407 2.685) 7.380 4.974 ( -1.519 4.560 -2.682) 5.504 5.021 ( -1.410 -2.651 3.976) 4.983 5.285 ( -5.896 -0.978 -1.031) 6.065 5.369 ( -13.890 7.171 -2.887) 15.896 5.462 ( 3.751 -6.534 2.641) 7.984 5.530 ( -2.200 -2.742 3.859) 5.220 5.585 ( -2.182 -5.424 -1.542) 6.046 5.694 ( -4.042 1.132 -2.939) 5.124 5.784 ( -4.213 2.161 1.318) 4.915 5.871 ( -0.659 3.245 -1.496) 3.633 6.034 ( -3.596 -8.494 -6.562) 11.320 6.058 ( -1.639 -1.431 0.838) 2.332 6.253 ( -7.939 2.085 2.174) 8.492 6.337 ( -3.705 6.765 -4.632) 8.997 6.443 ( 1.593 2.175 -0.224) 2.705 6.516 ( 3.311 5.188 0.511) 6.175 6.635 ( -6.541 4.293 -5.814) 9.747 6.679 ( 3.188 -4.198 -1.862) 5.590 6.759 ( 2.776 -0.505 2.894) 4.042 6.868 ( 2.335 -5.427 2.347) 6.357 6.962 ( 3.222 -4.291 3.353) 6.328 7.127 ( -3.416 -5.441 -0.591) 6.452 7.208 ( 0.192 -6.896 3.644) 7.802 7.234 ( 0.062 0.211 -1.307) 1.325 7.421 ( 1.995 -2.477 -1.301) 3.437 7.521 ( 4.793 0.185 -2.382) 5.355 7.600 ( 2.737 -4.015 -0.343) 4.871 7.676 ( 3.731 -3.686 2.169) 5.676 7.727 ( -0.723 -5.124 -2.063) 5.571 7.784 ( -0.358 -1.767 1.217) 2.176 7.855 ( 4.718 -2.505 1.659) 5.594 7.955 ( 2.799 -1.746 -0.019) 3.299 8.134 ( 3.391 1.000 -0.366) 3.555 8.178 ( 3.132 1.471 -1.125) 3.639 8.252 ( -0.426 1.063 2.060) 2.357 8.288 ( 1.000 -0.097 2.113) 2.339 8.337 ( 2.894 0.400 -0.940) 3.069 8.394 ( 0.939 1.789 5.621) 5.973 8.506 ( -0.484 -0.633 4.720) 4.787 8.595 ( 2.311 -0.241 5.597) 6.060 8.662 ( 2.120 1.828 -3.695) 4.635 8.693 ( -0.384 -1.121 5.757) 5.877 8.791 ( 2.659 -1.888 -1.205) 3.476 8.881 ( -1.669 -0.265 2.296) 2.851 9.008 ( 0.485 3.792 4.471) 5.882 9.070 ( 2.583 -1.532 2.112) 3.671 9.180 ( 1.763 1.951 -1.156) 2.872 9.233 ( -0.904 5.278 3.015) 6.145 9.299 ( 3.126 0.599 -2.488) 4.040 9.337 ( 3.274 4.647 -3.240) 6.542 9.426 ( -4.359 2.302 4.930) 6.972 9.514 ( -0.519 2.295 2.035) 3.111 9.591 ( -1.537 1.902 4.390) 5.025 9.627 ( 0.149 1.508 -2.839) 3.218 9.698 ( 5.675 6.045 0.021) 8.291 9.854 ( 2.615 0.886 1.883) 3.342 9.876 ( 3.352 4.073 -1.894) 5.604 9.947 ( -0.386 1.500 3.308) 3.652 9.997 ( 1.611 2.460 0.272) 2.953 10.031 ( 1.763 1.153 1.936) 2.861 10.184 ( 5.732 1.620 4.631) 7.545 10.250 ( 0.808 1.565 5.510) 5.785 10.313 ( 2.051 0.692 4.083) 4.621 10.457 ( 4.567 -0.177 3.066) 5.504 10.484 ( 5.939 -4.951 1.057) 7.804 10.578 ( 2.045 -2.010 2.363) 3.716 10.697 ( 0.117 -3.496 -0.786) 3.585 10.721 ( -0.777 -1.198 1.703) 2.223 10.810 ( 0.514 -2.040 -3.103) 3.749 10.925 ( -0.008 -0.867 -8.026) 8.073 11.057 ( -3.483 1.709 -6.478) 7.551 11.158 ( -5.168 2.450 -6.324) 8.527 11.351 ( 3.433 -0.947 3.148) 4.753 11.431 ( 0.576 0.375 4.005) 4.064 11.576 ( 2.552 4.578 -4.284) 6.769 11.725 ( -4.621 -0.883 -10.860) 11.835 11.804 ( -3.622 -1.353 0.528) 3.902 11.888 ( -0.528 1.007 -1.663) 2.015 12.001 ( -0.881 -0.879 -5.251) 5.396 12.097 ( -2.281 0.198 1.283) 2.624 12.197 ( -4.534 2.270 -9.586) 10.845 12.254 ( -6.916 1.558 -2.094) 7.392 12.424 ( 0.181 -1.571 -9.584) 9.714 12.455 ( 2.358 -1.672 -7.356) 7.904 12.629 ( 0.532 -0.764 1.583) 1.837 12.680 ( 0.081 -0.816 0.310) 0.877 12.740 ( 0.994 -1.792 -2.082) 2.921 12.805 ( -0.729 -0.198 1.772) 1.926 12.852 ( 0.680 -1.045 -3.119) 3.359 12.956 ( -0.586 -3.035 3.287) 4.512 13.000 ( 0.992 0.640 -5.680) 5.802 13.081 ( -4.621 -6.969 -2.388) 8.697 13.239 ( 1.805 -2.421 -0.449) 3.053 13.370 ( 3.698 -2.993 0.186) 4.762 13.546 ( 6.538 -0.955 -9.041) 11.198 13.644 ( -4.941 4.448 -9.231) 11.376 14.962 ( -2.722 0.596 7.250) 7.767 15.016 ( -4.626 -0.033 4.767) 6.643 15.111 ( -0.733 0.843 0.078) 1.120 15.175 ( -3.149 2.343 -4.012) 5.612 15.647 ( -4.866 -1.331 6.863) 8.517 15.769 ( -7.451 1.185 4.953) 9.025 15.916 ( -1.865 0.573 -3.858) 4.324 16.074 ( 0.108 2.717 -5.128) 5.804 16.176 ( 4.335 -2.044 1.097) 4.916 16.293 ( 0.919 -1.841 0.248) 2.072 16.346 ( -2.700 -0.617 -2.736) 3.894 16.491 ( 2.863 -2.523 4.397) 5.822 16.547 ( -1.304 0.252 -2.016) 2.414 16.615 ( 3.570 1.057 2.042) 4.247 16.714 ( -1.893 -5.126 -2.221) 5.898 16.817 ( -2.182 2.473 -1.892) 3.802 16.902 ( 1.179 2.350 2.927) 3.934 16.983 ( -0.076 -2.094 -0.023) 2.096 17.090 ( -0.803 1.243 -1.949) 2.447 17.149 ( -2.979 -1.117 2.329) 3.943 17.201 ( -0.256 4.327 -0.474) 4.361 17.230 ( 0.093 1.511 -1.423) 2.078 17.378 ( -0.856 2.250 -3.137) 3.954 17.405 ( -3.659 0.381 -4.346) 5.694 17.672 ( 0.348 -7.358 5.018) 8.913 17.809 ( -0.090 -6.181 4.513) 7.654 17.862 ( -0.828 -2.486 1.547) 3.043 17.975 ( -0.368 0.685 0.807) 1.120 18.291 ( 3.408 -0.626 3.835) 5.169 18.342 ( 2.381 -2.035 -0.471) 3.168 18.467 ( 3.067 -0.534 -2.713) 4.129 18.531 ( 1.153 1.000 -5.965) 6.157 18.752 ( 3.111 2.052 4.251) 5.653 18.844 ( 0.363 -1.538 1.034) 1.889 18.899 ( -1.418 1.267 -0.834) 2.076 18.986 ( -1.855 1.853 -2.980) 3.969 19.172 ( 0.574 2.501 7.440) 7.870 19.278 ( -2.649 -0.759 4.562) 5.330 19.400 ( 2.222 1.396 -1.345) 2.949 19.450 ( 1.304 0.923 -0.928) 1.847 27.168 ( 1.353 1.065 0.320) 1.752 27.242 ( -1.292 -0.488 1.310) 1.904 27.271 ( 2.297 0.687 -2.711) 3.619 27.406 ( -2.811 -3.860 -4.563) 6.605 27.842 ( 2.618 1.986 4.966) 5.955 27.879 ( 1.744 2.157 4.559) 5.336 28.003 ( 3.274 0.317 -0.053) 3.290 28.077 ( 4.587 -1.353 1.078) 4.903 28.195 ( 4.784 -0.520 3.075) 5.711 28.375 ( 5.193 1.394 -2.305) 5.850 28.432 ( -2.215 -1.794 1.774) 3.357 28.488 ( -4.364 -1.156 -1.816) 4.865 28.926 ( -2.826 -0.018 2.512) 3.782 28.969 ( -4.001 1.217 2.166) 4.710 29.009 ( -2.163 -0.150 -1.507) 2.640 29.083 ( -6.245 2.134 -2.366) 7.011 29.267 ( 1.453 -0.188 3.706) 3.985 29.334 ( -2.172 -1.068 2.691) 3.620 29.398 ( 1.441 0.415 -1.278) 1.971 29.437 ( -0.645 -0.504 -0.248) 0.855 29.970 ( -0.537 2.801 3.702) 4.673 30.018 ( -2.875 1.482 4.950) 5.913 30.114 ( 1.297 0.930 -4.354) 4.637 30.230 ( -4.777 0.288 -5.044) 6.953 30.837 ( 5.401 -0.728 10.822) 12.117 30.917 ( 1.412 -1.062 9.224) 9.392 31.134 ( 5.875 -1.946 -2.853) 6.815 31.180 ( 3.773 -1.420 -3.088) 5.078 31.342 ( 3.456 -3.662 6.883) 8.529 31.445 ( 4.739 0.084 2.863) 5.537 31.501 ( -0.333 -1.199 4.957) 5.111 31.584 ( -0.389 0.924 3.313) 3.461 31.764 ( 0.974 1.385 2.991) 3.437 31.808 ( -1.701 0.910 3.951) 4.397 31.887 ( -1.106 -1.445 3.526) 3.968 31.935 ( -2.698 -1.373 -1.723) 3.483 32.019 ( -1.223 1.627 5.228) 5.610 32.066 ( -1.467 1.219 1.218) 2.263 32.164 ( 0.484 3.210 0.664) 3.314 32.214 ( -1.040 0.105 -3.320) 3.481 33.674 ( 8.072 -1.842 5.192) 9.773 33.925 ( -4.496 -0.292 5.671) 7.243 34.137 ( 10.221 -0.641 -16.284) 19.237 34.526 ( -8.075 -0.609 -22.686) 24.088 36.230 ( 3.890 1.767 2.444) 4.923 36.413 ( -2.811 -1.292 -1.441) 3.413 36.578 ( -2.680 -0.647 -13.123) 13.409 36.609 ( -5.694 -0.212 -9.505) 11.082 ======================= Grid point 80 (32/48) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 -17.849 11.952) 21.482 1.749 ( 0.000 -23.430 2.079) 23.522 1.917 ( 0.000 -17.123 24.654) 30.017 2.171 ( -0.000 -17.063 8.308) 18.978 2.329 ( -0.000 -18.408 -11.712) 21.818 2.332 ( 0.000 -9.450 -10.834) 14.376 2.530 ( 0.000 -9.535 3.471) 10.147 2.608 ( 0.000 -9.182 -1.971) 9.392 2.862 ( -0.000 -1.606 -0.383) 1.652 2.888 ( 0.000 8.459 3.306) 9.082 2.980 ( -0.000 11.454 14.238) 18.274 3.003 ( 0.000 -1.980 13.540) 13.684 3.097 ( 0.000 4.144 7.937) 8.953 3.206 ( 0.000 1.359 0.243) 1.381 3.379 ( 0.000 -5.493 0.092) 5.494 3.406 ( -0.000 13.802 -15.182) 20.519 3.551 ( 0.000 -6.324 0.226) 6.328 3.616 ( 0.000 4.494 -5.557) 7.147 3.659 ( 0.000 -3.726 -0.408) 3.748 3.811 ( 0.000 15.439 -3.313) 15.791 3.952 ( 0.000 10.833 4.069) 11.572 4.090 ( 0.000 10.208 -5.878) 11.780 4.139 ( -0.000 -2.558 -4.962) 5.582 4.213 ( 0.000 10.565 2.436) 10.842 4.338 ( 0.000 5.621 -8.840) 10.476 4.382 ( 0.000 8.424 2.602) 8.816 4.451 ( 0.000 8.603 -1.098) 8.672 4.632 ( 0.000 6.185 -2.939) 6.848 4.649 ( 0.000 -4.671 -2.133) 5.135 4.740 ( -0.000 3.946 -0.309) 3.958 4.796 ( 0.000 4.354 -6.833) 8.102 4.912 ( 0.000 -2.646 -3.127) 4.097 5.005 ( 0.000 2.900 6.806) 7.398 5.072 ( 0.000 3.151 -5.174) 6.058 5.186 ( -0.000 -6.077 -9.575) 11.341 5.244 ( 0.000 -3.063 -0.032) 3.064 5.355 ( 0.000 -2.159 -1.269) 2.504 5.456 ( 0.000 0.627 -2.405) 2.485 5.630 ( 0.000 4.308 -1.737) 4.645 5.660 ( -0.000 -10.000 -5.238) 11.288 5.798 ( -0.000 0.178 -0.195) 0.264 5.827 ( 0.000 7.826 3.366) 8.519 5.987 ( 0.000 1.271 -4.892) 5.054 6.034 ( 0.000 0.931 -1.164) 1.490 6.197 ( -0.000 1.362 -0.576) 1.478 6.225 ( 0.000 3.042 1.200) 3.270 6.481 ( 0.000 1.531 -2.665) 3.073 6.513 ( 0.000 6.361 -1.905) 6.640 6.670 ( 0.000 -7.313 4.638) 8.659 6.703 ( 0.000 -0.590 2.658) 2.723 6.845 ( 0.000 -6.584 -1.442) 6.740 6.907 ( 0.000 -6.694 3.597) 7.599 6.998 ( 0.000 -0.196 5.164) 5.167 7.070 ( 0.000 -1.226 7.381) 7.483 7.128 ( 0.000 2.889 0.405) 2.917 7.330 ( 0.000 -1.689 -1.150) 2.043 7.440 ( 0.000 -1.020 1.000) 1.428 7.541 ( 0.000 -4.199 -7.454) 8.556 7.638 ( 0.000 -0.112 3.234) 3.236 7.658 ( 0.000 -2.245 -5.212) 5.675 7.733 ( 0.000 0.216 -0.971) 0.994 7.799 ( 0.000 -5.167 -0.000) 5.167 7.937 ( 0.000 -3.873 2.259) 4.484 7.979 ( -0.000 -1.685 1.078) 2.001 8.113 ( 0.000 -2.028 5.975) 6.310 8.162 ( 0.000 0.189 -2.557) 2.564 8.270 ( 0.000 -0.684 -4.796) 4.844 8.291 ( -0.000 -1.081 -3.172) 3.351 8.385 ( 0.000 6.866 7.317) 10.033 8.420 ( 0.000 2.733 3.962) 4.813 8.548 ( 0.000 -3.819 14.196) 14.701 8.559 ( -0.000 -1.914 3.015) 3.571 8.662 ( 0.000 -2.183 5.094) 5.543 8.735 ( -0.000 -2.777 3.442) 4.423 8.781 ( 0.000 1.090 3.624) 3.784 8.811 ( -0.000 -2.401 6.551) 6.977 9.054 ( 0.000 1.012 5.640) 5.730 9.077 ( 0.000 -1.116 3.804) 3.965 9.188 ( 0.000 -0.512 -4.001) 4.033 9.248 ( 0.000 -1.275 -10.419) 10.497 9.321 ( 0.000 7.534 1.521) 7.686 9.358 ( 0.000 5.009 3.259) 5.976 9.465 ( -0.000 6.677 -4.979) 8.329 9.468 ( 0.000 2.710 -0.532) 2.762 9.604 ( 0.000 0.265 7.569) 7.574 9.617 ( 0.000 2.130 5.826) 6.203 9.831 ( 0.000 1.220 3.368) 3.583 9.859 ( 0.000 2.302 7.996) 8.320 9.870 ( 0.000 3.557 2.216) 4.191 9.916 ( 0.000 2.709 -0.402) 2.739 10.013 ( 0.000 1.621 0.874) 1.842 10.087 ( 0.000 0.161 1.532) 1.540 10.256 ( -0.000 0.383 8.211) 8.220 10.290 ( 0.000 6.863 8.320) 10.785 10.334 ( 0.000 4.822 -0.751) 4.880 10.465 ( 0.000 2.034 9.077) 9.302 10.572 ( 0.000 -5.783 1.401) 5.950 10.591 ( 0.000 -2.325 4.814) 5.346 10.710 ( 0.000 -2.059 -2.368) 3.138 10.711 ( -0.000 -2.661 -2.115) 3.399 10.843 ( 0.000 -2.438 -5.289) 5.824 10.898 ( 0.000 -2.165 -4.862) 5.322 11.045 ( 0.000 1.495 -9.606) 9.722 11.060 ( -0.000 2.050 -7.198) 7.484 11.414 ( 0.000 -1.315 0.720) 1.499 11.429 ( 0.000 -1.159 2.568) 2.818 11.623 ( -0.000 2.970 -7.417) 7.990 11.643 ( 0.000 1.153 -11.202) 11.261 11.774 ( 0.000 3.014 1.130) 3.219 11.877 ( 0.000 1.264 -3.687) 3.898 11.999 ( 0.000 -2.505 -8.657) 9.012 12.078 ( 0.000 1.418 0.425) 1.480 12.101 ( -0.000 -1.947 -3.744) 4.220 12.180 ( 0.000 1.452 -5.880) 6.056 12.445 ( 0.000 -1.945 -11.056) 11.226 12.480 ( 0.000 -2.297 -9.460) 9.735 12.624 ( 0.000 -1.696 3.323) 3.731 12.716 ( -0.000 -1.655 1.881) 2.505 12.751 ( 0.000 1.327 1.659) 2.125 12.768 ( 0.000 -0.595 1.555) 1.665 12.873 ( 0.000 -3.302 -1.616) 3.676 12.906 ( 0.000 -0.569 -0.892) 1.058 13.020 ( 0.000 -4.468 -10.330) 11.255 13.021 ( -0.000 -1.149 -3.747) 3.919 13.305 ( 0.000 2.112 5.693) 6.072 13.430 ( 0.000 -2.312 -4.078) 4.688 13.517 ( 0.000 1.484 -4.872) 5.094 13.637 ( 0.000 1.485 -4.305) 4.554 14.941 ( 0.000 -0.921 7.197) 7.256 14.961 ( 0.000 -1.358 5.997) 6.149 15.123 ( 0.000 1.908 -1.905) 2.696 15.135 ( 0.000 1.700 -2.127) 2.723 15.616 ( 0.000 0.163 3.408) 3.412 15.682 ( 0.000 0.079 2.745) 2.746 15.908 ( 0.000 2.354 -4.892) 5.429 16.039 ( 0.000 4.731 -6.098) 7.718 16.237 ( 0.000 -3.704 0.141) 3.707 16.316 ( 0.000 -2.000 -2.402) 3.126 16.388 ( 0.000 -3.267 -5.563) 6.451 16.399 ( -0.000 -2.888 -4.397) 5.261 16.580 ( 0.000 0.011 0.641) 0.641 16.615 ( -0.000 0.660 1.395) 1.543 16.760 ( 0.000 -0.617 -2.883) 2.949 16.772 ( -0.000 0.272 -4.581) 4.589 16.955 ( -0.000 -1.129 5.336) 5.454 16.957 ( 0.000 -3.231 6.650) 7.394 17.068 ( 0.000 -0.017 0.403) 0.404 17.118 ( 0.000 -0.952 -2.069) 2.277 17.213 ( 0.000 6.134 2.964) 6.812 17.221 ( 0.000 1.897 -0.845) 2.076 17.355 ( 0.000 0.137 -5.165) 5.166 17.370 ( 0.000 1.342 -3.702) 3.938 17.677 ( 0.000 -8.044 4.461) 9.198 17.805 ( 0.000 -8.061 6.736) 10.505 17.858 ( 0.000 -2.106 -2.231) 3.068 17.969 ( 0.000 0.814 0.441) 0.926 18.332 ( 0.000 -1.925 5.927) 6.232 18.366 ( 0.000 -2.226 -0.196) 2.235 18.501 ( 0.000 0.445 -4.941) 4.961 18.538 ( 0.000 1.392 -3.658) 3.914 18.818 ( -0.000 1.764 0.414) 1.812 18.833 ( 0.000 0.842 2.227) 2.381 18.857 ( 0.000 1.640 -0.212) 1.653 18.974 ( 0.000 1.331 -3.291) 3.551 19.199 ( -0.000 1.714 7.228) 7.428 19.223 ( 0.000 1.800 8.956) 9.135 19.425 ( 0.000 1.342 -0.643) 1.488 19.464 ( 0.000 1.086 -0.306) 1.128 27.197 ( -0.000 0.089 1.285) 1.288 27.207 ( 0.000 0.150 0.947) 0.958 27.324 ( 0.000 -0.915 -3.812) 3.920 27.349 ( 0.000 -1.232 -4.416) 4.585 27.861 ( 0.000 2.527 5.220) 5.799 27.905 ( 0.000 2.450 6.017) 6.497 28.037 ( 0.000 -0.318 0.409) 0.518 28.123 ( 0.000 -0.613 1.406) 1.534 28.316 ( 0.000 -1.724 2.189) 2.787 28.323 ( -0.000 -1.584 4.706) 4.965 28.435 ( 0.000 0.503 -1.253) 1.350 28.466 ( 0.000 0.375 -1.266) 1.321 28.894 ( 0.000 0.921 1.216) 1.526 28.927 ( 0.000 0.794 0.718) 1.070 28.991 ( 0.000 0.862 -2.919) 3.043 29.003 ( -0.000 0.863 -2.518) 2.662 29.289 ( 0.000 -1.251 3.810) 4.010 29.307 ( 0.000 -1.261 3.158) 3.400 29.417 ( -0.000 0.171 -1.382) 1.393 29.427 ( 0.000 0.004 -1.224) 1.224 29.968 ( 0.000 2.257 4.083) 4.665 29.987 ( 0.000 2.038 3.933) 4.430 30.149 ( 0.000 0.657 -5.139) 5.181 30.158 ( -0.000 0.706 -4.964) 5.014 30.901 ( 0.000 -0.880 11.028) 11.063 30.924 ( 0.000 -0.916 11.142) 11.179 31.191 ( 0.000 -1.829 -3.036) 3.545 31.212 ( 0.000 -2.031 -2.838) 3.489 31.420 ( 0.000 -2.748 7.157) 7.667 31.446 ( 0.000 -3.300 9.211) 9.784 31.543 ( 0.000 0.218 3.760) 3.767 31.553 ( -0.000 0.441 3.361) 3.390 31.775 ( 0.000 1.384 2.660) 2.999 31.784 ( 0.000 1.830 3.358) 3.824 31.865 ( 0.000 -2.089 2.819) 3.509 31.916 ( 0.000 -2.358 0.897) 2.523 32.019 ( 0.000 2.692 4.810) 5.513 32.037 ( 0.000 2.174 1.329) 2.548 32.182 ( 0.000 2.071 -1.129) 2.359 32.188 ( -0.000 2.177 -0.562) 2.249 33.814 ( -0.000 -0.888 3.782) 3.884 33.826 ( 0.000 -0.942 3.599) 3.720 34.337 ( 0.000 -0.388 -20.355) 20.359 34.348 ( -0.000 -0.379 -20.513) 20.517 36.325 ( -0.000 0.195 -1.123) 1.140 36.334 ( 0.000 0.178 -1.080) 1.095 36.543 ( 0.000 -0.751 -10.840) 10.866 36.551 ( 0.000 -0.751 -10.831) 10.857 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 0.000 -3.457) 3.457 1.717 ( 0.000 0.000 -15.188) 15.188 1.784 ( 0.000 -0.000 15.663) 15.663 2.090 ( 0.000 0.000 19.621) 19.621 2.235 ( 0.000 0.000 10.360) 10.360 2.454 ( 0.000 0.000 -0.158) 0.158 2.586 ( 0.000 0.000 1.977) 1.977 2.636 ( 0.000 0.000 9.451) 9.451 2.706 ( 0.000 0.000 -9.560) 9.560 2.804 ( 0.000 -0.000 -5.982) 5.982 2.805 ( 0.000 0.000 -0.433) 0.433 2.876 ( 0.000 0.000 -10.060) 10.060 2.941 ( 0.000 0.000 8.659) 8.659 3.222 ( 0.000 0.000 12.686) 12.686 3.337 ( 0.000 0.000 -2.018) 2.018 3.412 ( 0.000 0.000 19.836) 19.836 3.609 ( 0.000 0.000 10.467) 10.467 3.719 ( 0.000 -0.000 -5.450) 5.450 3.815 ( 0.000 0.000 13.946) 13.946 3.856 ( 0.000 0.000 -5.351) 5.351 4.010 ( 0.000 -0.000 15.189) 15.189 4.067 ( 0.000 0.000 6.338) 6.338 4.129 ( 0.000 0.000 0.834) 0.834 4.197 ( 0.000 0.000 -12.017) 12.017 4.270 ( 0.000 0.000 -6.323) 6.323 4.416 ( 0.000 0.000 -14.106) 14.106 4.559 ( 0.000 0.000 -4.811) 4.811 4.604 ( 0.000 -0.000 8.486) 8.486 4.790 ( 0.000 0.000 4.760) 4.760 4.835 ( 0.000 0.000 6.587) 6.587 4.919 ( 0.000 0.000 7.436) 7.436 5.059 ( 0.000 0.000 3.291) 3.291 5.323 ( 0.000 0.000 8.040) 8.040 5.357 ( 0.000 0.000 3.064) 3.064 5.478 ( 0.000 0.000 5.359) 5.359 5.478 ( 0.000 0.000 7.344) 7.344 5.605 ( 0.000 0.000 2.168) 2.168 5.665 ( 0.000 0.000 21.949) 21.949 5.682 ( 0.000 0.000 9.792) 9.792 5.708 ( 0.000 -0.000 2.781) 2.781 5.937 ( 0.000 -0.000 1.198) 1.198 5.952 ( 0.000 0.000 8.251) 8.251 6.087 ( 0.000 0.000 -9.989) 9.989 6.089 ( 0.000 -0.000 -4.288) 4.288 6.324 ( 0.000 0.000 12.689) 12.689 6.370 ( 0.000 0.000 -1.388) 1.388 6.489 ( 0.000 0.000 -3.776) 3.776 6.559 ( 0.000 -0.000 8.968) 8.968 6.591 ( 0.000 0.000 0.413) 0.413 6.800 ( 0.000 0.000 10.413) 10.413 6.814 ( 0.000 -0.000 5.018) 5.018 6.818 ( 0.000 0.000 7.937) 7.937 6.881 ( 0.000 0.000 -5.989) 5.989 7.041 ( 0.000 0.000 -9.049) 9.049 7.126 ( 0.000 0.000 -3.078) 3.078 7.187 ( 0.000 0.000 0.367) 0.367 7.395 ( 0.000 0.000 -6.840) 6.840 7.501 ( 0.000 0.000 -16.025) 16.025 7.516 ( 0.000 0.000 -9.946) 9.946 7.586 ( 0.000 0.000 1.301) 1.301 7.761 ( 0.000 0.000 -7.619) 7.619 7.798 ( 0.000 0.000 -7.039) 7.039 7.816 ( 0.000 0.000 -0.846) 0.846 7.908 ( 0.000 0.000 -19.544) 19.544 8.022 ( 0.000 0.000 -10.235) 10.235 8.022 ( 0.000 0.000 -8.305) 8.305 8.080 ( 0.000 0.000 -10.691) 10.691 8.106 ( 0.000 -0.000 -5.979) 5.979 8.287 ( 0.000 0.000 0.013) 0.013 8.298 ( 0.000 0.000 -6.034) 6.034 8.343 ( 0.000 0.000 -1.190) 1.190 8.361 ( 0.000 0.000 -7.527) 7.527 8.484 ( 0.000 0.000 13.038) 13.038 8.614 ( 0.000 0.000 2.052) 2.052 8.669 ( 0.000 0.000 -1.916) 1.916 8.780 ( 0.000 0.000 -1.392) 1.392 8.983 ( 0.000 0.000 4.513) 4.513 9.122 ( 0.000 -0.000 -5.357) 5.357 9.139 ( 0.000 0.000 4.961) 4.961 9.165 ( 0.000 0.000 2.561) 2.561 9.351 ( 0.000 0.000 0.262) 0.262 9.393 ( 0.000 0.000 3.560) 3.560 9.475 ( 0.000 0.000 -0.650) 0.650 9.501 ( 0.000 0.000 -1.436) 1.436 9.642 ( 0.000 0.000 2.172) 2.172 9.681 ( 0.000 0.000 4.675) 4.675 9.730 ( 0.000 0.000 -2.340) 2.340 9.807 ( 0.000 0.000 0.795) 0.795 9.865 ( 0.000 0.000 -1.421) 1.421 9.879 ( 0.000 0.000 -4.215) 4.215 9.892 ( 0.000 0.000 1.564) 1.564 10.034 ( 0.000 -0.000 -0.148) 0.148 10.273 ( 0.000 0.000 1.861) 1.861 10.276 ( 0.000 0.000 9.683) 9.683 10.319 ( 0.000 0.000 5.297) 5.297 10.321 ( 0.000 0.000 -2.737) 2.737 10.510 ( 0.000 0.000 1.621) 1.621 10.521 ( 0.000 0.000 5.134) 5.134 10.586 ( 0.000 0.000 -0.045) 0.045 10.617 ( 0.000 -0.000 -1.069) 1.069 10.875 ( 0.000 0.000 -0.724) 0.724 10.970 ( 0.000 0.000 2.973) 2.973 11.113 ( 0.000 0.000 -6.405) 6.405 11.288 ( 0.000 0.000 4.883) 4.883 11.289 ( 0.000 0.000 -8.106) 8.106 11.436 ( 0.000 0.000 6.073) 6.073 11.600 ( 0.000 0.000 -7.767) 7.767 11.724 ( 0.000 0.000 -2.731) 2.731 11.892 ( 0.000 -0.000 -5.531) 5.531 11.956 ( 0.000 0.000 2.907) 2.907 12.094 ( 0.000 0.000 -0.105) 0.105 12.149 ( 0.000 0.000 -14.615) 14.615 12.360 ( 0.000 0.000 2.114) 2.114 12.428 ( 0.000 0.000 -1.271) 1.271 12.482 ( 0.000 0.000 -0.547) 0.547 12.522 ( 0.000 0.000 -1.581) 1.581 12.580 ( 0.000 0.000 3.506) 3.506 12.627 ( 0.000 0.000 -3.462) 3.462 12.663 ( 0.000 0.000 -4.964) 4.964 12.813 ( 0.000 0.000 -8.164) 8.164 12.843 ( 0.000 0.000 2.778) 2.778 12.890 ( 0.000 -0.000 2.485) 2.485 12.952 ( 0.000 0.000 -2.032) 2.032 12.955 ( 0.000 -0.000 -2.839) 2.839 13.157 ( 0.000 0.000 -7.288) 7.288 13.227 ( 0.000 0.000 -14.747) 14.747 13.257 ( 0.000 -0.000 3.471) 3.471 13.548 ( 0.000 0.000 -15.690) 15.690 15.100 ( 0.000 0.000 6.250) 6.250 15.176 ( 0.000 -0.000 4.592) 4.592 15.222 ( 0.000 0.000 3.410) 3.410 15.247 ( 0.000 0.000 -0.251) 0.251 15.928 ( 0.000 0.000 5.288) 5.288 15.968 ( 0.000 0.000 4.434) 4.434 16.038 ( 0.000 0.000 0.462) 0.462 16.063 ( 0.000 0.000 -2.510) 2.510 16.072 ( 0.000 0.000 10.124) 10.124 16.156 ( 0.000 0.000 12.505) 12.505 16.298 ( 0.000 0.000 -1.888) 1.888 16.335 ( 0.000 0.000 3.054) 3.054 16.574 ( 0.000 0.000 10.976) 10.976 16.731 ( 0.000 0.000 2.929) 2.929 16.764 ( 0.000 0.000 1.901) 1.901 16.892 ( 0.000 0.000 -5.839) 5.839 17.071 ( 0.000 0.000 3.845) 3.845 17.090 ( 0.000 0.000 2.823) 2.823 17.146 ( 0.000 0.000 -0.279) 0.279 17.182 ( 0.000 0.000 -5.744) 5.744 17.305 ( 0.000 0.000 -0.709) 0.709 17.367 ( 0.000 0.000 -2.867) 2.867 17.417 ( 0.000 0.000 -4.881) 4.881 17.500 ( 0.000 0.000 -5.379) 5.379 17.600 ( 0.000 0.000 6.968) 6.968 17.788 ( 0.000 0.000 7.819) 7.819 17.864 ( 0.000 0.000 1.574) 1.574 17.907 ( 0.000 0.000 2.133) 2.133 18.219 ( 0.000 0.000 -1.887) 1.887 18.240 ( 0.000 0.000 -0.099) 0.099 18.374 ( 0.000 0.000 -6.585) 6.585 18.394 ( 0.000 0.000 -1.347) 1.347 18.781 ( 0.000 0.000 5.110) 5.110 18.787 ( 0.000 0.000 2.647) 2.647 18.898 ( 0.000 0.000 -3.053) 3.053 18.956 ( 0.000 0.000 -4.525) 4.525 19.198 ( 0.000 0.000 1.904) 1.904 19.265 ( 0.000 0.000 1.382) 1.382 19.363 ( 0.000 0.000 -5.169) 5.169 19.386 ( 0.000 0.000 -4.832) 4.832 27.188 ( 0.000 0.000 -0.904) 0.904 27.189 ( 0.000 0.000 -1.626) 1.626 27.283 ( 0.000 0.000 2.482) 2.482 27.372 ( 0.000 0.000 -0.178) 0.178 27.734 ( 0.000 0.000 2.692) 2.692 27.843 ( 0.000 0.000 -2.289) 2.289 27.875 ( 0.000 0.000 3.813) 3.813 27.944 ( 0.000 0.000 -1.728) 1.728 28.177 ( 0.000 0.000 -4.024) 4.024 28.193 ( 0.000 0.000 -4.479) 4.479 28.460 ( 0.000 0.000 3.831) 3.831 28.590 ( 0.000 0.000 -3.382) 3.382 29.034 ( 0.000 0.000 4.685) 4.685 29.091 ( 0.000 0.000 2.873) 2.873 29.137 ( 0.000 0.000 0.764) 0.764 29.192 ( 0.000 0.000 5.388) 5.388 29.226 ( 0.000 0.000 1.517) 1.517 29.236 ( 0.000 0.000 -2.666) 2.666 29.492 ( 0.000 0.000 3.145) 3.145 29.540 ( 0.000 0.000 -2.158) 2.158 30.070 ( 0.000 0.000 0.173) 0.173 30.111 ( 0.000 0.000 -2.224) 2.224 30.149 ( 0.000 0.000 8.198) 8.198 30.354 ( 0.000 0.000 -0.031) 0.031 30.642 ( 0.000 0.000 6.495) 6.495 30.817 ( 0.000 0.000 -2.351) 2.351 30.910 ( 0.000 0.000 0.616) 0.616 30.946 ( 0.000 0.000 -0.384) 0.384 31.270 ( 0.000 0.000 -0.787) 0.787 31.318 ( 0.000 0.000 -1.401) 1.401 31.542 ( 0.000 0.000 5.926) 5.926 31.563 ( 0.000 0.000 5.528) 5.528 31.759 ( 0.000 0.000 0.737) 0.737 31.851 ( 0.000 0.000 3.185) 3.185 31.910 ( 0.000 0.000 7.466) 7.466 31.957 ( 0.000 0.000 -7.874) 7.874 32.064 ( 0.000 0.000 -3.819) 3.819 32.096 ( 0.000 0.000 5.438) 5.438 32.189 ( 0.000 0.000 -1.280) 1.280 32.232 ( 0.000 0.000 -1.383) 1.383 33.454 ( 0.000 0.000 14.937) 14.937 33.889 ( 0.000 0.000 -10.668) 10.668 34.023 ( 0.000 0.000 9.942) 9.942 34.644 ( 0.000 0.000 -17.414) 17.414 36.246 ( 0.000 0.000 0.036) 0.036 36.451 ( 0.000 0.000 3.826) 3.826 36.647 ( 0.000 0.000 -14.664) 14.664 36.766 ( 0.000 0.000 -9.759) 9.759 ======================= Grid point 86 (34/48) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.705 0.000 -0.838) 7.750 1.723 ( -0.968 0.000 -2.889) 3.047 1.910 ( 11.604 0.000 8.025) 14.109 1.949 ( -7.124 -0.000 4.295) 8.319 2.161 ( -12.092 0.000 -0.735) 12.114 2.342 ( -8.184 0.000 14.534) 16.680 2.532 ( -18.313 0.000 -3.694) 18.682 2.567 ( -5.792 0.000 4.231) 7.173 2.713 ( 0.240 -0.000 0.485) 0.541 2.722 ( 4.978 0.000 1.284) 5.141 2.817 ( -0.743 0.000 -2.633) 2.735 2.879 ( 6.271 0.000 -3.824) 7.345 3.089 ( -1.203 0.000 3.778) 3.965 3.139 ( -1.628 0.000 4.122) 4.432 3.339 ( -1.666 0.000 11.624) 11.743 3.491 ( 11.560 0.000 -8.165) 14.152 3.534 ( 8.921 0.000 15.085) 17.526 3.642 ( -5.507 0.000 13.312) 14.406 3.799 ( 1.992 0.000 0.854) 2.168 3.859 ( 0.258 0.000 -2.356) 2.370 4.127 ( 1.565 0.000 3.149) 3.517 4.139 ( 2.571 0.000 6.557) 7.043 4.229 ( 0.826 0.000 -4.346) 4.424 4.316 ( 4.131 0.000 -12.206) 12.886 4.383 ( 1.507 0.000 -12.310) 12.402 4.407 ( 17.055 0.000 1.483) 17.119 4.627 ( -0.081 0.000 -1.962) 1.964 4.680 ( 5.445 0.000 8.141) 9.794 4.766 ( -2.628 -0.000 4.873) 5.536 4.767 ( -3.316 0.000 11.096) 11.581 4.957 ( -6.843 0.000 10.523) 12.552 4.957 ( -0.581 -0.000 3.770) 3.814 5.162 ( -20.761 0.000 5.432) 21.460 5.262 ( -5.282 0.000 -1.565) 5.508 5.307 ( -6.408 0.000 6.300) 8.986 5.321 ( -12.006 -0.000 3.006) 12.377 5.540 ( -3.435 0.000 -0.293) 3.448 5.561 ( -0.745 0.000 2.638) 2.741 5.685 ( -1.207 0.000 -2.143) 2.460 5.765 ( 0.860 0.000 6.218) 6.277 5.847 ( -5.518 0.000 9.476) 10.965 5.937 ( -2.902 0.000 -0.326) 2.920 6.087 ( -3.370 0.000 3.647) 4.966 6.123 ( -5.363 0.000 -4.073) 6.734 6.312 ( -1.959 0.000 3.874) 4.341 6.420 ( -4.378 0.000 3.138) 5.386 6.431 ( 1.906 -0.000 -4.840) 5.202 6.588 ( 2.922 0.000 1.610) 3.336 6.620 ( 6.536 -0.000 6.149) 8.974 6.683 ( 1.217 -0.000 -3.060) 3.294 6.754 ( -0.379 0.000 2.006) 2.042 6.887 ( -6.671 0.000 -5.753) 8.809 7.023 ( -3.323 0.000 -6.807) 7.575 7.091 ( -1.727 -0.000 5.219) 5.497 7.133 ( -5.138 0.000 -11.826) 12.894 7.186 ( -3.513 0.000 -0.238) 3.521 7.233 ( 8.944 0.000 3.039) 9.447 7.412 ( -1.436 0.000 -4.785) 4.996 7.457 ( 2.508 0.000 -0.965) 2.687 7.505 ( -0.986 0.000 -2.378) 2.574 7.724 ( -5.501 0.000 -6.221) 8.304 7.805 ( 2.022 0.000 -0.670) 2.130 7.882 ( 0.734 0.000 -3.978) 4.045 7.891 ( -3.667 -0.000 -3.699) 5.209 7.969 ( 7.774 0.000 0.200) 7.776 8.146 ( 8.203 0.000 -7.102) 10.851 8.187 ( 4.637 -0.000 -5.253) 7.007 8.240 ( 4.108 0.000 -2.191) 4.655 8.305 ( 1.862 0.000 -6.237) 6.509 8.375 ( 4.713 0.000 -5.883) 7.538 8.481 ( 7.825 0.000 -2.177) 8.123 8.494 ( 13.444 0.000 -3.925) 14.005 8.553 ( 6.772 0.000 3.826) 7.778 8.650 ( 4.474 0.000 2.756) 5.254 8.750 ( 3.159 0.000 0.374) 3.181 8.784 ( -0.690 0.000 2.160) 2.268 9.042 ( 4.855 0.000 5.571) 7.389 9.116 ( -2.824 0.000 3.053) 4.158 9.170 ( 4.849 0.000 -4.657) 6.723 9.234 ( 4.518 0.000 2.796) 5.313 9.352 ( 0.184 0.000 3.270) 3.275 9.371 ( -6.906 0.000 0.263) 6.911 9.472 ( -2.948 -0.000 -3.222) 4.368 9.476 ( 7.125 0.000 2.020) 7.406 9.631 ( 3.809 -0.000 -0.925) 3.919 9.636 ( -9.328 0.000 6.280) 11.245 9.761 ( 4.345 0.000 1.543) 4.611 9.762 ( -1.340 -0.000 -4.901) 5.081 9.863 ( 1.944 0.000 -1.743) 2.610 9.918 ( 7.467 0.000 1.665) 7.651 9.999 ( 2.973 0.000 0.499) 3.015 10.073 ( 2.495 0.000 1.429) 2.875 10.169 ( -6.144 0.000 1.673) 6.367 10.230 ( -1.803 0.000 6.500) 6.745 10.324 ( -2.526 0.000 2.339) 3.442 10.326 ( -2.392 -0.000 -3.336) 4.105 10.476 ( 0.663 -0.000 5.572) 5.611 10.481 ( -0.637 0.000 0.072) 0.641 10.630 ( 5.320 0.000 -2.684) 5.959 10.663 ( 3.387 0.000 -0.224) 3.394 10.821 ( -5.159 0.000 1.136) 5.282 10.961 ( -1.260 0.000 1.622) 2.054 11.118 ( -0.534 0.000 -6.342) 6.364 11.256 ( -2.174 0.000 -1.614) 2.708 11.313 ( 0.909 0.000 -0.176) 0.925 11.437 ( 0.011 0.000 6.772) 6.772 11.621 ( 1.720 0.000 -6.386) 6.613 11.721 ( -0.132 0.000 -4.967) 4.969 11.839 ( -4.129 0.000 -1.078) 4.267 11.964 ( -0.388 0.000 0.566) 0.686 12.073 ( -4.005 0.000 -8.544) 9.436 12.080 ( -1.624 -0.000 -1.179) 2.007 12.325 ( -1.864 0.000 -4.380) 4.760 12.396 ( -3.737 0.000 -6.414) 7.424 12.454 ( -4.735 0.000 -4.344) 6.426 12.462 ( -4.899 -0.000 -4.790) 6.851 12.595 ( 0.676 0.000 1.269) 1.438 12.658 ( 2.801 0.000 0.256) 2.813 12.665 ( 0.499 -0.000 -3.392) 3.429 12.821 ( 2.499 0.000 3.920) 4.649 12.852 ( -1.639 0.000 4.045) 4.364 12.906 ( -0.254 0.000 -6.592) 6.597 12.960 ( 3.084 0.000 -3.579) 4.724 13.014 ( 0.755 0.000 -0.265) 0.800 13.155 ( 4.998 0.000 -4.520) 6.738 13.247 ( 0.394 0.000 5.601) 5.615 13.376 ( 9.604 0.000 -13.770) 16.788 13.627 ( 6.086 0.000 -15.448) 16.604 15.067 ( -2.566 0.000 5.793) 6.335 15.105 ( -5.677 0.000 5.887) 8.178 15.192 ( -3.580 0.000 2.285) 4.247 15.246 ( -1.437 0.000 -2.949) 3.281 15.765 ( -9.487 0.000 8.340) 12.632 15.928 ( -6.870 0.000 5.368) 8.718 15.991 ( -5.186 0.000 1.060) 5.293 16.010 ( 1.288 0.000 -3.640) 3.862 16.118 ( 3.783 0.000 8.990) 9.754 16.256 ( 3.680 0.000 5.798) 6.867 16.356 ( 3.215 0.000 -0.271) 3.227 16.390 ( 3.657 0.000 2.350) 4.346 16.532 ( 0.194 0.000 4.824) 4.828 16.670 ( -5.326 0.000 2.617) 5.934 16.755 ( -4.171 0.000 -0.772) 4.242 16.883 ( -2.187 0.000 -2.137) 3.058 16.970 ( -3.255 0.000 -0.191) 3.260 17.019 ( -4.718 0.000 0.787) 4.783 17.177 ( -1.843 0.000 -0.279) 1.864 17.184 ( -1.512 0.000 0.428) 1.571 17.253 ( -2.636 0.000 -1.985) 3.300 17.294 ( -3.582 0.000 -3.299) 4.870 17.413 ( -0.996 -0.000 -4.751) 4.854 17.442 ( -2.405 0.000 -5.761) 6.243 17.631 ( 0.639 0.000 6.666) 6.697 17.746 ( -3.339 0.000 8.248) 8.899 17.869 ( 0.467 0.000 0.041) 0.469 17.937 ( 0.950 0.000 0.405) 1.033 18.220 ( 2.802 0.000 1.269) 3.076 18.308 ( -1.778 -0.000 -2.396) 2.984 18.350 ( 7.176 0.000 -0.900) 7.232 18.480 ( 3.878 0.000 -5.081) 6.392 18.789 ( 1.170 0.000 3.126) 3.337 18.790 ( 0.285 -0.000 3.399) 3.411 18.944 ( 3.423 -0.000 -2.083) 4.007 18.959 ( -0.659 0.000 -5.662) 5.700 19.213 ( 0.787 0.000 4.043) 4.119 19.251 ( -0.206 0.000 3.806) 3.811 19.395 ( 1.198 0.000 -3.503) 3.702 19.405 ( 2.867 0.000 -3.019) 4.163 27.172 ( 0.127 0.000 0.248) 0.278 27.239 ( 2.852 0.000 -2.584) 3.848 27.269 ( -1.441 0.000 1.943) 2.419 27.363 ( -0.744 0.000 -1.449) 1.629 27.779 ( 4.198 0.000 3.569) 5.510 27.900 ( 5.185 -0.000 -1.245) 5.333 27.911 ( 1.877 0.000 1.753) 2.568 27.959 ( 2.752 0.000 0.873) 2.887 28.146 ( 0.040 0.000 -1.121) 1.122 28.284 ( 5.926 0.000 -4.448) 7.409 28.437 ( -1.709 0.000 3.074) 3.517 28.559 ( -3.458 0.000 -3.474) 4.901 29.003 ( -5.580 0.000 4.495) 7.165 29.026 ( -1.031 0.000 3.872) 4.006 29.074 ( -3.877 0.000 0.267) 3.886 29.207 ( -3.294 0.000 -2.843) 4.351 29.231 ( 2.490 0.000 4.961) 5.551 29.323 ( 5.548 0.000 -0.832) 5.610 29.439 ( -6.375 0.000 1.808) 6.627 29.475 ( -3.356 0.000 0.275) 3.367 30.036 ( -2.122 0.000 1.751) 2.751 30.102 ( -3.767 0.000 6.702) 7.688 30.117 ( 0.203 0.000 -3.099) 3.105 30.319 ( -3.625 0.000 -2.612) 4.468 30.707 ( 5.881 0.000 8.299) 10.172 30.877 ( 0.252 0.000 5.441) 5.447 30.945 ( 10.113 0.000 -3.187) 10.603 31.054 ( 6.506 0.000 -0.571) 6.531 31.279 ( 0.405 0.000 1.237) 1.302 31.349 ( 3.829 0.000 -1.124) 3.990 31.515 ( -1.652 0.000 6.844) 7.041 31.585 ( 1.023 0.000 4.721) 4.831 31.768 ( 0.952 0.000 1.604) 1.865 31.832 ( -1.044 0.000 4.469) 4.589 31.906 ( -1.416 0.000 4.474) 4.693 31.956 ( -0.722 0.000 -6.688) 6.727 32.072 ( 0.971 0.000 -1.944) 2.172 32.077 ( -1.717 0.000 5.060) 5.344 32.197 ( 0.624 0.000 -1.033) 1.206 32.216 ( -1.138 0.000 -2.280) 2.548 33.508 ( 5.494 0.000 12.095) 13.284 33.958 ( 6.746 0.000 -12.229) 13.966 33.994 ( -2.757 0.000 8.696) 9.123 34.618 ( -2.956 0.000 -19.892) 20.110 36.237 ( -0.368 0.000 1.441) 1.487 36.431 ( -1.739 0.000 2.290) 2.876 36.624 ( -2.303 0.000 -14.167) 14.353 36.718 ( -4.704 0.000 -9.746) 10.822 ======================= Grid point 88 (35/48) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -11.586 0.000 3.746) 12.177 1.710 ( 2.134 0.000 1.185) 2.441 1.715 ( -27.726 -0.000 1.325) 27.758 1.961 ( 10.494 0.000 -6.477) 12.332 2.071 ( -7.847 -0.000 -0.860) 7.894 2.201 ( -0.650 0.000 10.259) 10.280 2.234 ( -1.032 0.000 -8.523) 8.585 2.484 ( -0.182 0.000 1.859) 1.868 2.721 ( 7.589 0.000 0.515) 7.607 2.799 ( 2.880 0.000 4.524) 5.362 2.928 ( 7.914 0.000 14.719) 16.712 3.030 ( 3.696 0.000 9.829) 10.501 3.129 ( 9.885 0.000 -1.190) 9.956 3.222 ( 8.030 0.000 -1.601) 8.188 3.369 ( -0.607 0.000 18.340) 18.350 3.445 ( -9.132 0.000 -3.667) 9.841 3.644 ( -1.602 0.000 -2.652) 3.098 3.752 ( -0.808 0.000 -8.311) 8.350 3.877 ( 3.946 0.000 -9.380) 10.176 3.885 ( -2.834 -0.000 -3.015) 4.138 4.120 ( -2.769 0.000 0.919) 2.918 4.146 ( 5.214 0.000 1.202) 5.350 4.181 ( -8.890 0.000 5.848) 10.641 4.253 ( 4.245 0.000 -1.279) 4.434 4.439 ( -3.815 0.000 3.119) 4.928 4.452 ( -6.483 0.000 -12.170) 13.789 4.599 ( 1.873 0.000 -12.683) 12.820 4.663 ( 0.524 0.000 3.398) 3.438 4.705 ( -1.977 -0.000 4.167) 4.612 4.780 ( -0.467 0.000 7.298) 7.313 4.853 ( -2.306 0.000 -2.740) 3.581 4.914 ( -1.322 0.000 4.396) 4.591 5.003 ( -0.544 0.000 9.580) 9.595 5.052 ( -8.705 0.000 1.328) 8.805 5.257 ( -1.099 0.000 1.146) 1.588 5.371 ( 9.281 -0.000 -3.066) 9.775 5.396 ( -10.361 0.000 -5.211) 11.598 5.555 ( -5.459 0.000 2.814) 6.142 5.664 ( -3.728 0.000 -4.555) 5.886 5.687 ( -12.400 0.000 -1.880) 12.542 5.759 ( -7.719 0.000 3.670) 8.547 5.816 ( 5.373 -0.000 3.465) 6.393 5.954 ( -0.367 0.000 -8.934) 8.942 6.038 ( -0.983 0.000 8.884) 8.938 6.281 ( -3.274 0.000 6.457) 7.240 6.399 ( -4.087 0.000 -0.308) 4.098 6.475 ( 6.090 0.000 -2.235) 6.488 6.590 ( -5.472 0.000 -9.970) 11.373 6.674 ( 2.296 0.000 -4.309) 4.883 6.728 ( -7.587 -0.000 -4.702) 8.926 6.742 ( -0.956 0.000 -0.225) 0.982 6.823 ( 2.022 0.000 7.274) 7.550 6.926 ( -11.118 0.000 -3.302) 11.598 6.941 ( 13.455 -0.000 2.964) 13.778 7.095 ( -0.407 0.000 -2.555) 2.587 7.172 ( 5.053 0.000 0.296) 5.061 7.485 ( 5.355 -0.000 -0.404) 5.370 7.489 ( 5.042 0.000 -8.749) 10.098 7.580 ( 10.566 0.000 1.747) 10.709 7.585 ( 3.067 -0.000 -8.098) 8.660 7.638 ( 1.320 0.000 8.855) 8.952 7.785 ( -5.412 0.000 0.700) 5.457 7.861 ( 1.252 0.000 0.791) 1.481 7.959 ( 3.332 0.000 3.746) 5.014 8.118 ( 6.043 0.000 4.452) 7.506 8.198 ( -1.722 -0.000 -1.361) 2.195 8.244 ( 1.617 0.000 3.404) 3.769 8.334 ( -4.607 0.000 -4.190) 6.227 8.335 ( 1.459 -0.000 -1.354) 1.990 8.414 ( 8.593 0.000 4.734) 9.811 8.496 ( -2.508 0.000 7.820) 8.213 8.620 ( -6.612 0.000 7.078) 9.686 8.660 ( 2.221 -0.000 3.034) 3.760 8.675 ( 1.770 0.000 -1.298) 2.195 8.789 ( 1.469 0.000 4.714) 4.937 8.861 ( 4.350 0.000 -6.578) 7.886 9.039 ( -9.024 0.000 2.238) 9.297 9.082 ( 0.922 0.000 -4.040) 4.144 9.147 ( 4.473 0.000 7.687) 8.894 9.259 ( -2.776 0.000 -4.656) 5.421 9.370 ( -2.987 -0.000 -4.535) 5.430 9.384 ( 3.571 0.000 12.001) 12.521 9.464 ( 4.971 0.000 1.403) 5.165 9.566 ( 1.283 0.000 4.692) 4.864 9.583 ( 6.353 -0.000 2.367) 6.780 9.645 ( -3.539 0.000 -1.034) 3.687 9.817 ( -2.343 -0.000 5.582) 6.053 9.821 ( 4.083 0.000 -5.597) 6.928 9.897 ( 6.104 0.000 -2.209) 6.491 9.987 ( 0.264 0.000 3.172) 3.183 10.061 ( 1.396 0.000 -0.032) 1.397 10.069 ( -0.163 -0.000 2.267) 2.273 10.217 ( 6.392 0.000 1.572) 6.582 10.266 ( 3.395 0.000 2.457) 4.191 10.315 ( 5.716 -0.000 2.566) 6.265 10.356 ( 7.845 0.000 0.245) 7.849 10.518 ( 5.169 0.000 -3.216) 6.088 10.529 ( 2.589 0.000 5.746) 6.303 10.677 ( -6.939 0.000 5.216) 8.680 10.696 ( -0.903 0.000 4.552) 4.641 10.772 ( 5.253 0.000 -6.881) 8.656 10.919 ( -2.840 0.000 -5.549) 6.234 11.077 ( -2.928 0.000 -6.495) 7.125 11.182 ( -5.635 0.000 -6.287) 8.443 11.342 ( 2.590 0.000 2.590) 3.663 11.432 ( -0.517 0.000 4.928) 4.955 11.648 ( 0.634 0.000 -6.363) 6.394 11.702 ( -2.898 0.000 -12.353) 12.688 11.798 ( 1.787 0.000 3.967) 4.351 11.921 ( -1.842 0.000 -3.381) 3.850 12.043 ( -1.730 0.000 -4.086) 4.437 12.047 ( -1.277 0.000 -2.360) 2.683 12.228 ( -7.953 0.000 -5.641) 9.751 12.276 ( -9.047 0.000 -6.069) 10.894 12.388 ( -0.117 0.000 -9.089) 9.090 12.411 ( 0.759 0.000 -8.633) 8.666 12.596 ( 0.750 0.000 2.712) 2.814 12.695 ( 2.405 0.000 -1.303) 2.735 12.710 ( 0.195 -0.000 2.117) 2.126 12.801 ( -2.638 0.000 3.702) 4.546 12.851 ( -2.447 0.000 -0.920) 2.614 12.883 ( 1.953 0.000 1.970) 2.774 12.996 ( -1.074 0.000 -3.836) 3.984 13.011 ( 0.753 0.000 -6.663) 6.706 13.293 ( 3.893 0.000 6.191) 7.313 13.297 ( 7.319 -0.000 -0.311) 7.326 13.512 ( 4.154 0.000 -6.975) 8.119 13.693 ( -0.875 0.000 -11.118) 11.152 14.987 ( -5.406 0.000 7.702) 9.410 15.003 ( -4.618 0.000 5.750) 7.375 15.124 ( -0.934 0.000 -0.134) 0.944 15.204 ( -2.413 0.000 -4.986) 5.539 15.637 ( -2.967 0.000 7.723) 8.273 15.780 ( -7.854 0.000 6.365) 10.109 15.936 ( 0.224 0.000 -0.606) 0.646 16.051 ( 1.014 0.000 -6.034) 6.118 16.193 ( 5.035 0.000 -0.251) 5.041 16.265 ( -0.663 0.000 0.038) 0.664 16.340 ( -4.269 0.000 -3.405) 5.460 16.457 ( 1.821 0.000 4.927) 5.253 16.583 ( -4.921 0.000 -10.652) 11.734 16.607 ( -0.297 0.000 5.704) 5.712 16.634 ( 4.067 0.000 -1.546) 4.351 16.856 ( -0.204 0.000 1.236) 1.252 16.921 ( -3.502 0.000 -3.710) 5.102 16.976 ( -0.892 0.000 4.943) 5.023 17.106 ( -2.791 0.000 -2.695) 3.880 17.128 ( -3.141 0.000 2.834) 4.230 17.246 ( 0.668 0.000 -2.427) 2.517 17.268 ( -0.297 0.000 -1.455) 1.485 17.387 ( -1.388 -0.000 -3.761) 4.009 17.406 ( -1.882 0.000 -6.255) 6.532 17.627 ( -0.391 0.000 7.293) 7.303 17.678 ( -3.184 -0.000 8.270) 8.862 17.878 ( 0.642 0.000 -2.998) 3.066 17.929 ( -1.364 0.000 -2.429) 2.786 18.292 ( 3.386 0.000 4.046) 5.276 18.308 ( 1.191 -0.000 1.168) 1.668 18.472 ( 4.906 0.000 -1.813) 5.230 18.534 ( 1.604 0.000 -6.618) 6.810 18.801 ( 1.099 0.000 4.268) 4.408 18.830 ( 2.604 0.000 0.345) 2.627 18.925 ( -1.938 0.000 -4.472) 4.874 18.982 ( -0.214 0.000 -2.834) 2.843 19.218 ( 0.232 0.000 8.556) 8.559 19.252 ( -0.397 0.000 7.407) 7.417 19.433 ( 2.185 0.000 -0.892) 2.360 19.450 ( 1.561 0.000 -0.540) 1.651 27.184 ( 0.926 0.000 0.857) 1.262 27.235 ( -1.835 0.000 1.165) 2.174 27.288 ( 2.115 0.000 -3.194) 3.831 27.346 ( -1.074 0.000 -3.143) 3.321 27.868 ( 4.160 0.000 4.806) 6.356 27.923 ( 0.175 0.000 1.715) 1.724 28.007 ( 4.936 0.000 1.682) 5.215 28.042 ( 3.880 0.000 1.413) 4.129 28.186 ( 4.148 0.000 4.106) 5.836 28.397 ( 5.083 0.000 -3.103) 5.955 28.407 ( -2.851 0.000 2.123) 3.555 28.474 ( -3.158 0.000 -2.659) 4.128 28.926 ( -2.172 0.000 3.037) 3.733 28.984 ( -3.377 0.000 1.653) 3.760 29.009 ( -2.327 0.000 -1.284) 2.658 29.106 ( -6.312 0.000 -3.008) 6.992 29.266 ( 1.110 0.000 4.268) 4.410 29.324 ( -3.986 0.000 3.555) 5.341 29.400 ( 2.320 0.000 -1.963) 3.039 29.433 ( -1.057 0.000 -0.717) 1.277 30.007 ( -0.815 0.000 2.720) 2.839 30.036 ( -2.588 0.000 4.597) 5.276 30.127 ( 1.060 0.000 -3.977) 4.116 30.234 ( -4.452 0.000 -4.900) 6.620 30.827 ( 5.558 0.000 10.972) 12.299 30.901 ( 1.247 0.000 9.781) 9.860 31.110 ( 5.900 0.000 -2.409) 6.373 31.159 ( 3.496 0.000 -2.349) 4.212 31.303 ( 3.135 0.000 7.586) 8.208 31.452 ( 5.937 0.000 0.603) 5.968 31.478 ( -2.595 0.000 7.786) 8.208 31.590 ( -0.618 0.000 4.457) 4.499 31.788 ( 0.757 0.000 2.540) 2.650 31.816 ( -1.041 0.000 4.200) 4.327 31.867 ( -1.593 0.000 2.394) 2.875 31.915 ( -3.189 0.000 -1.868) 3.696 32.044 ( -0.847 0.000 3.753) 3.847 32.082 ( -0.417 0.000 0.486) 0.641 32.208 ( 0.464 -0.000 -0.673) 0.817 32.208 ( 0.277 0.000 -3.589) 3.600 33.651 ( 8.487 0.000 6.682) 10.802 33.922 ( -4.695 0.000 5.857) 7.507 34.130 ( 10.338 0.000 -15.941) 18.999 34.518 ( -7.450 0.000 -22.181) 23.398 36.256 ( 2.679 0.000 1.503) 3.071 36.393 ( -2.163 0.000 -0.874) 2.333 36.569 ( -2.892 0.000 -12.617) 12.945 36.606 ( -5.887 0.000 -9.451) 11.134 ======================= Grid point 90 (36/48) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -0.886 -10.356 6.773) 12.406 1.346 ( 0.886 10.356 6.773) 12.406 1.818 ( -4.356 -8.913 12.382) 15.866 1.818 ( 4.356 8.913 12.382) 15.866 2.170 ( -3.908 -3.002 -11.454) 12.469 2.170 ( 3.908 3.002 -11.454) 12.469 2.419 ( -8.647 -2.428 -10.662) 13.940 2.419 ( 8.647 2.428 -10.662) 13.940 2.915 ( -0.048 -4.407 7.151) 8.400 2.915 ( 0.048 4.407 7.151) 8.400 3.057 ( -0.025 -3.407 15.353) 15.727 3.057 ( 0.025 3.407 15.353) 15.727 3.164 ( -0.005 -3.425 2.051) 3.992 3.164 ( 0.005 3.425 2.051) 3.992 3.387 ( -1.902 -3.250 -1.158) 3.940 3.387 ( 1.902 3.250 -1.158) 3.940 3.590 ( -2.956 -1.076 -6.614) 7.324 3.590 ( 2.956 1.076 -6.614) 7.324 3.835 ( -0.105 -15.538 -18.050) 23.816 3.835 ( 0.105 15.538 -18.050) 23.816 4.071 ( -0.519 -1.217 12.005) 12.077 4.071 ( 0.519 1.217 12.005) 12.077 4.332 ( -4.171 -1.369 -0.561) 4.425 4.332 ( 4.171 1.369 -0.561) 4.425 4.455 ( -1.539 -5.801 -1.464) 6.177 4.455 ( 1.539 5.801 -1.464) 6.177 4.604 ( -1.178 -4.403 1.882) 4.931 4.604 ( 1.178 4.403 1.882) 4.931 4.704 ( -0.152 -13.075 -2.362) 13.288 4.704 ( 0.152 13.075 -2.362) 13.288 4.941 ( -0.952 -3.751 -1.904) 4.313 4.941 ( 0.952 3.751 -1.904) 4.313 5.008 ( -1.016 -4.293 -0.792) 4.482 5.008 ( 1.016 4.293 -0.792) 4.482 5.217 ( -5.881 -1.712 5.549) 8.265 5.217 ( 5.881 1.712 5.549) 8.265 5.350 ( -5.711 -8.019 -7.131) 12.157 5.350 ( 5.711 8.019 -7.131) 12.157 5.598 ( -0.551 -4.601 -3.231) 5.649 5.598 ( 0.551 4.601 -3.231) 5.649 5.865 ( -6.634 -0.621 0.998) 6.738 5.865 ( 6.634 0.621 0.998) 6.738 6.013 ( -0.304 -3.976 -8.143) 9.067 6.013 ( 0.304 3.976 -8.143) 9.067 6.285 ( -2.578 -5.043 6.714) 8.784 6.285 ( 2.578 5.043 6.714) 8.784 6.513 ( -0.055 -8.259 3.255) 8.877 6.513 ( 0.055 8.259 3.255) 8.877 6.682 ( -1.953 -4.439 -2.115) 5.291 6.682 ( 1.953 4.439 -2.115) 5.291 6.748 ( -1.748 -3.548 -4.918) 6.311 6.748 ( 1.748 3.548 -4.918) 6.311 6.978 ( -7.455 -0.192 4.435) 8.676 6.978 ( 7.455 0.192 4.435) 8.676 7.231 ( -2.404 -5.338 0.513) 5.877 7.231 ( 2.404 5.338 0.513) 5.877 7.544 ( -0.197 -4.176 -4.637) 6.243 7.544 ( 0.197 4.176 -4.637) 6.243 7.597 ( -5.958 -0.155 -5.271) 7.956 7.597 ( 5.958 0.155 -5.271) 7.956 7.731 ( -0.697 -0.971 4.578) 4.732 7.731 ( 0.697 0.971 4.578) 4.732 7.918 ( -4.082 -1.125 3.735) 5.646 7.918 ( 4.082 1.125 3.735) 5.646 8.168 ( -0.055 -3.166 5.656) 6.482 8.168 ( 0.055 3.166 5.656) 6.482 8.235 ( -0.740 -1.302 -4.598) 4.836 8.235 ( 0.740 1.302 -4.598) 4.836 8.451 ( -6.440 -0.097 8.811) 10.914 8.451 ( 6.440 0.097 8.811) 10.914 8.504 ( -4.556 -0.253 6.131) 7.643 8.504 ( 4.556 0.253 6.131) 7.643 8.692 ( -0.570 -3.952 5.036) 6.427 8.692 ( 0.570 3.952 5.036) 6.427 8.799 ( -2.555 -0.800 0.977) 2.850 8.799 ( 2.555 0.800 0.977) 2.850 9.040 ( -5.345 -0.023 2.442) 5.876 9.040 ( 5.345 0.023 2.442) 5.876 9.215 ( -0.544 -1.448 -7.714) 7.867 9.215 ( 0.544 1.448 -7.714) 7.867 9.409 ( -3.578 -0.057 5.205) 6.317 9.409 ( 3.578 0.057 5.205) 6.317 9.537 ( -0.946 -2.690 8.024) 8.516 9.537 ( 0.946 2.690 8.024) 8.516 9.615 ( -0.236 -2.628 -3.806) 4.631 9.615 ( 0.236 2.628 -3.806) 4.631 9.858 ( -0.585 -2.257 4.528) 5.093 9.858 ( 0.585 2.257 4.528) 5.093 9.956 ( -0.703 -1.389 0.036) 1.557 9.956 ( 0.703 1.389 0.036) 1.557 10.063 ( -0.012 -1.224 1.165) 1.690 10.063 ( 0.012 1.224 1.165) 1.690 10.329 ( -0.127 -4.955 5.310) 7.264 10.329 ( 0.127 4.955 5.310) 7.264 10.438 ( -2.373 -3.138 0.872) 4.030 10.438 ( 2.373 3.138 0.872) 4.030 10.527 ( -0.165 -3.706 9.547) 10.243 10.527 ( 0.165 3.706 9.547) 10.243 10.676 ( -2.000 -0.265 -2.958) 3.580 10.676 ( 2.000 0.265 -2.958) 3.580 10.843 ( -2.688 -1.545 -6.877) 7.543 10.843 ( 2.688 1.545 -6.877) 7.543 11.072 ( -3.427 -0.291 -8.171) 8.865 11.072 ( 3.427 0.291 -8.171) 8.865 11.405 ( -2.562 -0.290 2.047) 3.292 11.405 ( 2.562 0.290 2.047) 3.292 11.653 ( -0.851 -0.109 -9.242) 9.282 11.653 ( 0.851 0.109 -9.242) 9.282 11.881 ( -2.412 -3.147 -3.540) 5.315 11.881 ( 2.412 3.147 -3.540) 5.315 12.022 ( -0.248 -4.499 -5.293) 6.951 12.022 ( 0.248 4.499 -5.293) 6.951 12.138 ( -0.413 -4.371 -2.255) 4.935 12.138 ( 0.413 4.371 -2.255) 4.935 12.418 ( -0.500 -0.778 -8.964) 9.012 12.418 ( 0.500 0.778 -8.964) 9.012 12.645 ( -2.064 -3.389 2.714) 4.808 12.645 ( 2.064 3.389 2.714) 4.808 12.750 ( -2.789 -0.368 0.666) 2.891 12.750 ( 2.789 0.368 0.666) 2.891 12.866 ( -1.325 -2.183 0.309) 2.572 12.866 ( 1.325 2.183 0.309) 2.572 13.002 ( -0.710 -0.600 -5.472) 5.550 13.002 ( 0.710 0.600 -5.472) 5.550 13.361 ( -0.420 -2.786 3.095) 4.185 13.361 ( 0.420 2.786 3.095) 4.185 13.603 ( -3.775 -3.555 -4.938) 7.161 13.603 ( 3.775 3.555 -4.938) 7.161 14.938 ( -0.410 -0.457 7.314) 7.339 14.938 ( 0.410 0.457 7.314) 7.339 15.152 ( -2.572 -0.113 -3.165) 4.080 15.152 ( 2.572 0.113 -3.165) 4.080 15.654 ( -2.884 -1.879 4.876) 5.969 15.654 ( 2.884 1.879 4.876) 5.969 15.997 ( -2.109 -5.006 -2.886) 6.152 15.997 ( 2.109 5.006 -2.886) 6.152 16.265 ( -0.054 -3.164 -3.841) 4.977 16.265 ( 0.054 3.164 -3.841) 4.977 16.349 ( -7.935 -0.099 -5.683) 9.760 16.349 ( 7.935 0.099 -5.683) 9.760 16.594 ( -1.298 -1.454 0.958) 2.171 16.594 ( 1.298 1.454 0.958) 2.171 16.764 ( -7.047 -0.267 -4.223) 8.220 16.764 ( 7.047 0.267 -4.223) 8.220 16.936 ( -2.745 -0.527 5.990) 6.610 16.936 ( 2.745 0.527 5.990) 6.610 17.086 ( -0.104 -1.798 -1.533) 2.365 17.086 ( 0.104 1.798 -1.533) 2.365 17.262 ( -0.151 -1.475 -0.933) 1.752 17.262 ( 0.152 1.475 -0.933) 1.752 17.376 ( -0.148 -1.266 -4.635) 4.807 17.376 ( 0.148 1.266 -4.635) 4.807 17.634 ( -0.156 -5.219 7.624) 9.241 17.634 ( 0.156 5.219 7.624) 9.241 17.899 ( -0.187 -5.444 -3.839) 6.664 17.899 ( 0.187 5.444 -3.839) 6.664 18.326 ( -0.001 -0.977 3.808) 3.931 18.326 ( 0.001 0.977 3.808) 3.931 18.535 ( -0.684 -1.485 -4.747) 5.021 18.535 ( 0.684 1.485 -4.747) 5.021 18.835 ( -1.866 -0.113 1.426) 2.351 18.835 ( 1.866 0.113 1.426) 2.351 18.941 ( -1.121 -3.832 -2.990) 4.988 18.941 ( 1.121 3.832 -2.990) 4.988 19.233 ( -0.611 -0.836 9.819) 9.873 19.233 ( 0.611 0.836 9.819) 9.873 19.461 ( -0.090 -1.289 0.162) 1.302 19.461 ( 0.090 1.289 0.162) 1.302 27.205 ( -1.027 -0.226 0.901) 1.384 27.205 ( 1.027 0.226 0.901) 1.384 27.322 ( -0.955 -0.603 -3.540) 3.716 27.322 ( 0.955 0.603 -3.540) 3.716 27.918 ( -0.318 -1.556 3.926) 4.235 27.918 ( 0.318 1.556 3.926) 4.235 28.070 ( -0.216 -2.996 2.427) 3.862 28.070 ( 0.216 2.996 2.427) 3.862 28.296 ( -6.590 -0.040 4.231) 7.831 28.296 ( 6.590 0.040 4.231) 7.831 28.458 ( -0.440 -0.985 -2.230) 2.477 28.458 ( 0.440 0.985 -2.230) 2.477 28.922 ( -1.195 -0.906 0.896) 1.747 28.922 ( 1.195 0.906 0.896) 1.747 29.009 ( -2.643 -0.141 -2.706) 3.785 29.009 ( 2.643 0.141 -2.706) 3.785 29.282 ( -0.530 -0.552 3.985) 4.058 29.282 ( 0.530 0.552 3.985) 4.058 29.423 ( -0.266 -0.253 -1.719) 1.758 29.423 ( 0.266 0.253 -1.719) 1.758 30.005 ( -0.326 -0.563 3.322) 3.386 30.005 ( 0.326 0.563 3.322) 3.386 30.163 ( -2.641 -0.095 -4.814) 5.492 30.163 ( 2.641 0.095 -4.814) 5.492 30.900 ( -1.260 -0.564 11.360) 11.443 30.900 ( 1.260 0.564 11.360) 11.443 31.176 ( -0.857 -0.539 -2.207) 2.429 31.176 ( 0.857 0.539 -2.207) 2.429 31.399 ( -5.163 -0.240 9.254) 10.600 31.399 ( 5.163 0.240 9.254) 10.600 31.551 ( -3.600 -0.088 3.198) 4.816 31.551 ( 3.600 0.088 3.198) 4.816 31.796 ( -0.179 -0.603 2.567) 2.643 31.796 ( 0.179 0.603 2.567) 2.643 31.864 ( -0.432 -1.881 1.958) 2.749 31.864 ( 0.432 1.881 1.958) 2.749 32.058 ( -1.395 -0.290 2.046) 2.494 32.058 ( 1.395 0.290 2.046) 2.494 32.213 ( -0.000 -0.298 -1.909) 1.932 32.213 ( 0.000 0.298 -1.909) 1.932 33.808 ( -7.086 -0.050 4.295) 8.286 33.808 ( 7.086 0.050 4.295) 8.286 34.338 ( -10.537 -0.030 -20.072) 22.669 34.338 ( 10.537 0.030 -20.072) 22.669 36.332 ( -4.278 -0.044 -1.209) 4.446 36.332 ( 4.278 0.044 -1.209) 4.446 36.537 ( -0.281 -0.246 -10.297) 10.304 36.537 ( 0.281 0.246 -10.297) 10.304 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.000 0.000 -37.548) 37.548 1.732 ( 0.000 0.000 37.548) 37.548 2.044 ( 0.000 0.000 -7.508) 7.508 2.044 ( 0.000 0.000 7.508) 7.508 2.244 ( 0.000 0.000 -14.284) 14.284 2.244 ( 0.000 0.000 14.284) 14.284 2.719 ( 0.000 0.000 -12.740) 12.740 2.719 ( 0.000 0.000 12.740) 12.740 2.735 ( 0.000 0.000 -15.983) 15.983 2.735 ( 0.000 0.000 15.983) 15.983 3.134 ( 0.000 0.000 -4.302) 4.302 3.134 ( 0.000 0.000 4.302) 4.302 3.248 ( 0.000 0.000 -9.054) 9.054 3.248 ( 0.000 0.000 9.054) 9.054 3.282 ( 0.000 0.000 -8.564) 8.564 3.282 ( 0.000 0.000 8.564) 8.564 3.662 ( 0.000 0.000 -15.400) 15.400 3.662 ( 0.000 0.000 15.400) 15.400 3.737 ( 0.000 0.000 -5.603) 5.603 3.737 ( 0.000 0.000 5.603) 5.603 3.989 ( 0.000 0.000 -5.775) 5.775 3.989 ( 0.000 0.000 5.775) 5.775 4.245 ( 0.000 0.000 -2.501) 2.501 4.245 ( 0.000 0.000 2.501) 2.501 4.374 ( 0.000 0.000 -9.292) 9.292 4.374 ( 0.000 0.000 9.292) 9.292 4.565 ( 0.000 0.000 -6.157) 6.157 4.565 ( 0.000 0.000 6.157) 6.157 4.933 ( 0.000 0.000 -9.330) 9.330 4.933 ( 0.000 0.000 9.330) 9.330 4.976 ( 0.000 0.000 -3.537) 3.537 4.976 ( 0.000 0.000 3.537) 3.537 5.175 ( 0.000 0.000 -11.882) 11.882 5.175 ( 0.000 0.000 11.882) 11.882 5.384 ( 0.000 0.000 -6.067) 6.067 5.384 ( 0.000 0.000 6.067) 6.067 5.394 ( 0.000 0.000 -4.635) 4.635 5.394 ( 0.000 0.000 4.635) 4.635 5.721 ( 0.000 0.000 -11.871) 11.871 5.721 ( 0.000 0.000 11.871) 11.871 6.037 ( 0.000 0.000 -12.429) 12.429 6.037 ( 0.000 0.000 12.429) 12.429 6.274 ( 0.000 0.000 -0.854) 0.854 6.274 ( 0.000 0.000 0.854) 0.854 6.319 ( 0.000 0.000 -0.293) 0.293 6.319 ( 0.000 0.000 0.293) 0.293 6.523 ( 0.000 0.000 -5.126) 5.126 6.523 ( 0.000 0.000 5.126) 5.126 6.692 ( 0.000 0.000 -25.600) 25.600 6.692 ( 0.000 0.000 25.600) 25.600 6.996 ( 0.000 0.000 -3.342) 3.342 6.996 ( 0.000 0.000 3.342) 3.342 7.161 ( 0.000 0.000 -14.513) 14.513 7.161 ( 0.000 0.000 14.513) 14.513 7.241 ( 0.000 0.000 -0.472) 0.472 7.241 ( 0.000 0.000 0.472) 0.472 7.247 ( 0.000 0.000 -8.717) 8.717 7.247 ( 0.000 0.000 8.717) 8.717 7.574 ( 0.000 0.000 -3.627) 3.627 7.574 ( 0.000 0.000 3.627) 3.627 7.701 ( 0.000 0.000 -3.458) 3.458 7.701 ( 0.000 0.000 3.458) 3.458 7.741 ( 0.000 0.000 -1.909) 1.909 7.741 ( 0.000 0.000 1.909) 1.909 7.897 ( 0.000 0.000 -5.320) 5.320 7.897 ( 0.000 0.000 5.320) 5.320 8.025 ( 0.000 0.000 -1.903) 1.903 8.025 ( 0.000 0.000 1.903) 1.903 8.285 ( 0.000 0.000 -2.708) 2.708 8.285 ( 0.000 0.000 2.708) 2.708 8.410 ( 0.000 0.000 -3.403) 3.403 8.410 ( 0.000 0.000 3.403) 3.403 8.500 ( 0.000 0.000 -0.452) 0.452 8.500 ( 0.000 0.000 0.452) 0.452 8.821 ( 0.000 0.000 -4.874) 4.874 8.821 ( 0.000 0.000 4.874) 4.874 9.051 ( 0.000 0.000 -2.113) 2.113 9.051 ( 0.000 0.000 2.113) 2.113 9.151 ( 0.000 0.000 -7.431) 7.431 9.151 ( 0.000 0.000 7.431) 7.431 9.362 ( 0.000 0.000 -0.645) 0.645 9.362 ( 0.000 0.000 0.645) 0.645 9.398 ( 0.000 0.000 -2.964) 2.964 9.398 ( 0.000 0.000 2.964) 2.964 9.550 ( 0.000 0.000 -0.877) 0.877 9.550 ( 0.000 0.000 0.877) 0.877 9.731 ( 0.000 0.000 -1.041) 1.041 9.731 ( 0.000 0.000 1.041) 1.041 9.863 ( 0.000 0.000 -6.269) 6.269 9.863 ( 0.000 0.000 6.269) 6.269 9.944 ( 0.000 0.000 -2.089) 2.089 9.944 ( 0.000 0.000 2.089) 2.089 10.310 ( 0.000 0.000 -7.196) 7.196 10.310 ( 0.000 0.000 7.196) 7.196 10.389 ( 0.000 0.000 -4.522) 4.522 10.389 ( 0.000 0.000 4.522) 4.522 10.417 ( 0.000 0.000 -12.694) 12.694 10.417 ( 0.000 0.000 12.694) 12.694 10.665 ( 0.000 0.000 -9.784) 9.784 10.665 ( 0.000 0.000 9.784) 9.784 10.893 ( 0.000 0.000 -4.592) 4.592 10.893 ( 0.000 0.000 4.592) 4.592 11.036 ( 0.000 0.000 -7.174) 7.174 11.036 ( 0.000 0.000 7.174) 7.174 11.399 ( 0.000 0.000 -5.576) 5.576 11.399 ( 0.000 0.000 5.576) 5.576 11.572 ( 0.000 0.000 -12.901) 12.901 11.572 ( 0.000 0.000 12.901) 12.901 12.008 ( 0.000 0.000 -2.958) 2.958 12.008 ( 0.000 0.000 2.958) 2.958 12.023 ( 0.000 0.000 -6.131) 6.131 12.023 ( 0.000 0.000 6.131) 6.131 12.291 ( 0.000 0.000 -9.040) 9.040 12.291 ( 0.000 0.000 9.040) 9.040 12.379 ( 0.000 0.000 -5.073) 5.073 12.379 ( 0.000 0.000 5.073) 5.073 12.605 ( 0.000 0.000 -5.717) 5.717 12.605 ( 0.000 0.000 5.717) 5.717 12.623 ( 0.000 0.000 -7.565) 7.565 12.623 ( 0.000 0.000 7.565) 7.565 12.838 ( 0.000 0.000 -2.068) 2.068 12.838 ( 0.000 0.000 2.068) 2.068 12.965 ( 0.000 0.000 -2.796) 2.796 12.965 ( 0.000 0.000 2.796) 2.796 13.308 ( 0.000 0.000 -3.255) 3.255 13.308 ( 0.000 0.000 3.255) 3.255 13.737 ( 0.000 0.000 -0.066) 0.066 13.737 ( 0.000 0.000 0.066) 0.066 15.122 ( 0.000 0.000 -5.144) 5.144 15.122 ( 0.000 0.000 5.144) 5.144 15.331 ( 0.000 0.000 -8.483) 8.483 15.331 ( 0.000 0.000 8.483) 8.483 16.011 ( 0.000 0.000 -1.256) 1.256 16.011 ( 0.000 0.000 1.256) 1.256 16.015 ( 0.000 0.000 -1.699) 1.699 16.015 ( 0.000 0.000 1.699) 1.699 16.302 ( 0.000 0.000 -3.655) 3.655 16.302 ( 0.000 0.000 3.655) 3.655 16.346 ( 0.000 0.000 -6.944) 6.944 16.346 ( 0.000 0.000 6.944) 6.944 16.811 ( 0.000 0.000 -3.973) 3.973 16.811 ( 0.000 0.000 3.973) 3.973 16.816 ( 0.000 0.000 -4.530) 4.530 16.816 ( 0.000 0.000 4.530) 4.530 16.907 ( 0.000 0.000 -9.605) 9.605 16.907 ( 0.000 0.000 9.605) 9.605 17.016 ( 0.000 0.000 -0.824) 0.824 17.016 ( 0.000 0.000 0.824) 0.824 17.185 ( 0.000 0.000 -0.277) 0.277 17.185 ( 0.000 0.000 0.277) 0.277 17.340 ( 0.000 0.000 -7.022) 7.022 17.340 ( 0.000 0.000 7.022) 7.022 17.801 ( 0.000 0.000 -1.133) 1.133 17.801 ( 0.000 0.000 1.133) 1.133 17.976 ( 0.000 0.000 -1.159) 1.159 17.976 ( 0.000 0.000 1.159) 1.159 18.252 ( 0.000 0.000 -5.506) 5.506 18.252 ( 0.000 0.000 5.506) 5.506 18.391 ( 0.000 0.000 -3.471) 3.471 18.391 ( 0.000 0.000 3.471) 3.471 18.832 ( 0.000 0.000 -5.538) 5.538 18.832 ( 0.000 0.000 5.538) 5.538 18.938 ( 0.000 0.000 -4.203) 4.203 18.938 ( 0.000 0.000 4.203) 4.203 19.229 ( 0.000 0.000 -6.806) 6.806 19.229 ( 0.000 0.000 6.806) 6.806 19.345 ( 0.000 0.000 -8.468) 8.468 19.345 ( 0.000 0.000 8.468) 8.468 27.132 ( 0.000 0.000 -0.030) 0.030 27.132 ( 0.000 0.000 0.030) 0.030 27.378 ( 0.000 0.000 -3.569) 3.569 27.378 ( 0.000 0.000 3.569) 3.569 27.793 ( 0.000 0.000 -1.725) 1.725 27.793 ( 0.000 0.000 1.725) 1.725 27.935 ( 0.000 0.000 -3.026) 3.026 27.935 ( 0.000 0.000 3.026) 3.026 28.128 ( 0.000 0.000 -1.011) 1.011 28.128 ( 0.000 0.000 1.011) 1.011 28.590 ( 0.000 0.000 -2.598) 2.598 28.590 ( 0.000 0.000 2.598) 2.598 29.068 ( 0.000 0.000 -3.249) 3.249 29.068 ( 0.000 0.000 3.249) 3.249 29.113 ( 0.000 0.000 -0.481) 0.481 29.113 ( 0.000 0.000 0.481) 0.481 29.391 ( 0.000 0.000 -3.414) 3.414 29.391 ( 0.000 0.000 3.414) 3.414 29.440 ( 0.000 0.000 -0.060) 0.060 29.440 ( 0.000 0.000 0.060) 0.060 30.000 ( 0.000 0.000 -0.099) 0.099 30.000 ( 0.000 0.000 0.099) 0.099 30.286 ( 0.000 0.000 -6.925) 6.925 30.286 ( 0.000 0.000 6.925) 6.925 30.787 ( 0.000 0.000 -3.467) 3.467 30.787 ( 0.000 0.000 3.467) 3.467 30.920 ( 0.000 0.000 -0.991) 0.991 30.920 ( 0.000 0.000 0.991) 0.991 31.374 ( 0.000 0.000 -2.324) 2.324 31.374 ( 0.000 0.000 2.324) 2.324 31.488 ( 0.000 0.000 -5.291) 5.291 31.488 ( 0.000 0.000 5.291) 5.291 31.841 ( 0.000 0.000 -2.430) 2.430 31.841 ( 0.000 0.000 2.430) 2.430 31.956 ( 0.000 0.000 -7.198) 7.198 31.956 ( 0.000 0.000 7.198) 7.198 32.136 ( 0.000 0.000 -0.655) 0.655 32.136 ( 0.000 0.000 0.655) 0.655 32.159 ( 0.000 0.000 -2.510) 2.510 32.159 ( 0.000 0.000 2.510) 2.510 33.673 ( 0.000 0.000 -10.429) 10.429 33.673 ( 0.000 0.000 10.429) 10.429 34.357 ( 0.000 0.000 -19.702) 19.702 34.357 ( 0.000 0.000 19.702) 19.702 36.346 ( 0.000 0.000 -14.726) 14.726 36.346 ( 0.000 0.000 14.726) 14.726 36.602 ( 0.000 0.000 -8.004) 8.004 36.602 ( 0.000 0.000 8.004) 8.004 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 7.346 0.000 -20.396) 21.678 1.792 ( 7.346 0.000 20.396) 21.678 2.114 ( 7.074 0.000 -18.364) 19.680 2.114 ( 7.074 0.000 18.364) 19.680 2.378 ( 10.615 0.000 -18.966) 21.734 2.378 ( 10.615 0.000 18.966) 21.734 2.711 ( -1.080 0.000 -11.110) 11.162 2.711 ( -1.080 0.000 11.110) 11.162 2.804 ( 5.305 0.000 -12.322) 13.415 2.804 ( 5.305 0.000 12.322) 13.415 3.117 ( -0.473 0.000 -8.565) 8.578 3.117 ( -0.473 0.000 8.565) 8.578 3.262 ( -7.864 0.000 -5.222) 9.440 3.262 ( -7.864 0.000 5.222) 9.440 3.282 ( 3.631 0.000 -3.091) 4.769 3.282 ( 3.631 0.000 3.091) 4.769 3.597 ( 2.571 0.000 -4.904) 5.537 3.597 ( 2.571 0.000 4.904) 5.537 3.717 ( -5.862 0.000 -12.368) 13.686 3.717 ( -5.862 0.000 12.368) 13.686 3.961 ( -3.366 0.000 -8.495) 9.138 3.961 ( -3.366 0.000 8.495) 9.138 4.154 ( -16.408 0.000 -5.450) 17.290 4.154 ( -16.408 0.000 5.450) 17.290 4.300 ( 5.088 0.000 -7.273) 8.876 4.300 ( 5.088 0.000 7.273) 8.876 4.477 ( -10.147 0.000 -9.538) 13.926 4.477 ( -10.147 0.000 9.538) 13.926 4.828 ( -4.864 0.000 -13.510) 14.359 4.828 ( -4.864 0.000 13.510) 14.359 4.885 ( -7.249 0.000 -4.422) 8.491 4.885 ( -7.249 0.000 4.422) 8.491 5.168 ( -2.729 0.000 -6.254) 6.823 5.168 ( -2.729 0.000 6.254) 6.823 5.477 ( 2.029 0.000 -8.583) 8.819 5.477 ( 2.029 0.000 8.583) 8.819 5.495 ( 9.331 0.000 -5.555) 10.859 5.495 ( 9.331 0.000 5.555) 10.859 5.740 ( 0.349 0.000 -4.205) 4.220 5.740 ( 0.349 0.000 4.205) 4.220 5.937 ( -1.778 0.000 -14.642) 14.749 5.937 ( -1.778 0.000 14.642) 14.749 6.059 ( -28.250 0.000 -10.648) 30.190 6.059 ( -28.250 0.000 10.648) 30.190 6.322 ( -8.161 0.000 -11.667) 14.238 6.322 ( -8.161 0.000 11.667) 14.238 6.404 ( 3.875 0.000 -4.768) 6.144 6.404 ( 3.875 0.000 4.768) 6.144 6.628 ( -4.025 0.000 -18.130) 18.572 6.628 ( -4.025 0.000 18.130) 18.572 6.981 ( 6.184 0.000 -12.999) 14.395 6.981 ( 6.184 0.000 12.999) 14.395 7.107 ( -7.190 0.000 -8.990) 11.511 7.107 ( -7.190 0.000 8.990) 11.511 7.132 ( 2.829 0.000 -3.552) 4.541 7.132 ( 2.829 0.000 3.552) 4.541 7.519 ( 6.296 0.000 -12.053) 13.598 7.519 ( 6.296 0.000 12.053) 13.598 7.625 ( 1.403 0.000 -7.541) 7.670 7.625 ( 1.403 0.000 7.541) 7.670 7.790 ( 5.157 0.000 -6.673) 8.433 7.790 ( 5.157 0.000 6.673) 8.433 7.839 ( 6.848 0.000 -9.071) 11.365 7.839 ( 6.848 0.000 9.071) 11.365 8.027 ( 2.344 0.000 -2.779) 3.635 8.027 ( 2.344 0.000 2.779) 3.635 8.094 ( 16.792 0.000 -15.889) 23.117 8.094 ( 16.792 0.000 15.889) 23.117 8.364 ( 9.789 0.000 -5.597) 11.276 8.364 ( 9.789 0.000 5.597) 11.276 8.444 ( 3.423 0.000 -4.257) 5.462 8.444 ( 3.423 0.000 4.257) 5.462 8.547 ( 4.511 0.000 -1.809) 4.860 8.547 ( 4.511 0.000 1.809) 4.860 8.791 ( -1.613 0.000 -5.232) 5.475 8.791 ( -1.613 0.000 5.232) 5.475 9.047 ( -1.364 0.000 -4.536) 4.737 9.047 ( -1.364 0.000 4.536) 4.737 9.150 ( 0.270 0.000 -7.309) 7.314 9.150 ( 0.270 0.000 7.309) 7.314 9.340 ( -3.098 0.000 -7.404) 8.026 9.340 ( -3.098 0.000 7.404) 8.026 9.429 ( 4.318 0.000 -4.248) 6.057 9.429 ( 4.318 0.000 4.248) 6.057 9.629 ( -7.141 0.000 -2.389) 7.530 9.629 ( -7.141 0.000 2.389) 7.530 9.630 ( 3.271 0.000 -1.805) 3.736 9.630 ( 3.271 0.000 1.805) 3.736 9.898 ( -3.181 0.000 -1.225) 3.409 9.898 ( -3.181 0.000 1.225) 3.409 9.914 ( 6.564 0.000 -4.512) 7.965 9.914 ( 6.564 0.000 4.512) 7.965 10.348 ( 2.723 0.000 -6.463) 7.013 10.348 ( 2.723 0.000 6.463) 7.013 10.357 ( -0.584 0.000 -5.205) 5.238 10.357 ( -0.584 0.000 5.205) 5.238 10.463 ( 4.821 0.000 -12.795) 13.673 10.463 ( 4.821 0.000 12.795) 13.673 10.673 ( 0.208 0.000 -10.655) 10.657 10.673 ( 0.208 0.000 10.655) 10.657 10.911 ( 0.665 0.000 -6.289) 6.324 10.911 ( 0.665 0.000 6.289) 6.324 11.007 ( -3.155 0.000 -9.020) 9.556 11.007 ( -3.155 0.000 9.020) 9.556 11.407 ( 0.811 0.000 -5.131) 5.194 11.407 ( 0.811 0.000 5.131) 5.194 11.572 ( -0.419 0.000 -11.502) 11.509 11.572 ( -0.419 0.000 11.502) 11.509 11.986 ( -1.888 0.000 -5.413) 5.733 11.986 ( -1.888 0.000 5.413) 5.733 12.000 ( -2.420 0.000 -7.758) 8.126 12.000 ( -2.420 0.000 7.758) 8.126 12.305 ( 0.671 0.000 -6.031) 6.068 12.305 ( 0.671 0.000 6.031) 6.068 12.319 ( -4.926 0.000 -9.471) 10.675 12.319 ( -4.926 0.000 9.471) 10.675 12.647 ( 2.562 0.000 -7.869) 8.275 12.647 ( 2.562 0.000 7.869) 8.275 12.679 ( 4.976 0.000 -2.506) 5.571 12.679 ( 4.976 0.000 2.506) 5.571 12.857 ( 1.131 0.000 -2.118) 2.401 12.857 ( 1.131 0.000 2.118) 2.401 13.021 ( 6.756 0.000 -6.014) 9.045 13.021 ( 6.756 0.000 6.014) 9.045 13.370 ( 5.486 0.000 -4.217) 6.919 13.370 ( 5.486 0.000 4.217) 6.919 13.583 ( -15.402 0.000 -1.621) 15.487 13.583 ( -15.402 0.000 1.621) 15.487 15.102 ( -1.776 0.000 -5.163) 5.460 15.102 ( -1.776 0.000 5.163) 5.460 15.204 ( -9.684 0.000 -5.516) 11.145 15.204 ( -9.684 0.000 5.516) 11.145 15.939 ( -6.168 0.000 -2.740) 6.749 15.939 ( -6.168 0.000 2.740) 6.749 15.977 ( -3.021 0.000 -4.498) 5.419 15.977 ( -3.021 0.000 4.498) 5.419 16.323 ( -4.901 0.000 -7.138) 8.659 16.323 ( -4.901 0.000 7.138) 8.659 16.367 ( 5.013 0.000 -4.833) 6.963 16.367 ( 5.013 0.000 4.833) 6.963 16.726 ( -3.086 0.000 -7.651) 8.250 16.726 ( -3.086 0.000 7.651) 8.250 16.755 ( -5.310 0.000 -10.700) 11.945 16.755 ( -5.310 0.000 10.700) 11.945 16.933 ( 2.459 0.000 -10.962) 11.234 16.933 ( 2.459 0.000 10.962) 11.234 17.032 ( 1.472 0.000 -2.997) 3.339 17.032 ( 1.472 0.000 2.997) 3.339 17.227 ( 2.475 0.000 -4.631) 5.250 17.227 ( 2.475 0.000 4.631) 5.250 17.329 ( -1.249 0.000 -6.559) 6.677 17.329 ( -1.249 0.000 6.559) 6.677 17.860 ( 3.827 0.000 -4.075) 5.590 17.860 ( 3.827 0.000 4.075) 5.590 17.951 ( -1.889 0.000 -2.870) 3.436 17.951 ( -1.889 0.000 2.870) 3.436 18.301 ( 4.426 0.000 -6.399) 7.781 18.301 ( 4.426 0.000 6.399) 7.781 18.380 ( -0.118 0.000 -5.328) 5.330 18.380 ( -0.118 0.000 5.328) 5.330 18.852 ( 1.093 0.000 -5.725) 5.828 18.852 ( 1.093 0.000 5.725) 5.828 18.930 ( -1.168 0.000 -3.092) 3.305 18.930 ( -1.168 0.000 3.092) 3.305 19.242 ( 1.445 0.000 -7.028) 7.175 19.242 ( 1.445 0.000 7.028) 7.175 19.360 ( 1.200 0.000 -5.874) 5.995 19.360 ( 1.200 0.000 5.874) 5.995 27.144 ( 1.377 0.000 -1.639) 2.141 27.144 ( 1.377 0.000 1.639) 2.141 27.378 ( -0.689 0.000 -5.259) 5.304 27.378 ( -0.689 0.000 5.259) 5.304 27.836 ( 4.383 0.000 -3.095) 5.366 27.836 ( 4.383 0.000 3.095) 5.366 27.951 ( 1.386 0.000 -4.696) 4.896 27.951 ( 1.386 0.000 4.696) 4.896 28.178 ( 4.985 0.000 -3.619) 6.160 28.178 ( 4.985 0.000 3.619) 6.160 28.551 ( -3.403 0.000 -3.054) 4.572 28.551 ( -3.403 0.000 3.054) 4.572 29.035 ( -3.133 0.000 -3.098) 4.406 29.035 ( -3.133 0.000 3.098) 4.406 29.104 ( -2.141 0.000 -1.500) 2.614 29.104 ( -2.141 0.000 1.500) 2.614 29.343 ( -2.798 0.000 -3.058) 4.145 29.343 ( -2.798 0.000 3.058) 4.145 29.437 ( -0.429 0.000 -1.705) 1.758 29.437 ( -0.429 0.000 1.705) 1.758 30.008 ( 0.520 0.000 -3.069) 3.112 30.008 ( 0.520 0.000 3.069) 3.112 30.221 ( -5.588 0.000 -6.998) 8.955 30.221 ( -5.588 0.000 6.998) 8.955 30.886 ( 8.479 0.000 -6.868) 10.911 30.886 ( 8.479 0.000 6.868) 10.911 30.990 ( 5.782 0.000 -5.260) 7.817 30.990 ( 5.782 0.000 5.260) 7.817 31.409 ( 3.647 0.000 -2.474) 4.407 31.409 ( 3.647 0.000 2.474) 4.407 31.494 ( 0.723 0.000 -4.690) 4.745 31.494 ( 0.723 0.000 4.690) 4.745 31.871 ( 2.633 0.000 -4.528) 5.238 31.871 ( 2.633 0.000 4.528) 5.238 31.926 ( -2.953 0.000 -6.912) 7.517 31.926 ( -2.953 0.000 6.912) 7.517 32.128 ( -0.642 0.000 -2.259) 2.349 32.128 ( -0.642 0.000 2.259) 2.349 32.143 ( -1.452 0.000 -3.457) 3.749 32.143 ( -1.452 0.000 3.457) 3.749 33.727 ( 5.193 0.000 -11.009) 12.172 33.727 ( 5.193 0.000 11.009) 12.172 34.289 ( -6.401 0.000 -18.558) 19.631 34.289 ( -6.401 0.000 18.558) 19.631 36.341 ( -0.392 0.000 -13.577) 13.582 36.341 ( -0.392 0.000 13.577) 13.582 36.558 ( -4.183 0.000 -7.164) 8.296 36.558 ( -4.183 0.000 7.164) 8.296 ======================= Grid point 109 (39/48) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 13.284 0.000 -9.675) 16.434 2.016 ( 13.284 0.000 9.675) 16.434 2.261 ( 1.919 0.000 -14.582) 14.708 2.261 ( 1.919 0.000 14.582) 14.708 2.465 ( 3.129 0.000 -11.470) 11.889 2.465 ( 3.129 0.000 11.470) 11.889 2.760 ( 5.515 0.000 -1.618) 5.748 2.760 ( 5.515 0.000 1.618) 5.748 2.810 ( -3.751 0.000 -13.386) 13.902 2.810 ( -3.751 0.000 13.386) 13.902 3.114 ( -5.370 0.000 -1.512) 5.579 3.114 ( -5.370 0.000 1.512) 5.579 3.218 ( 8.679 0.000 -10.957) 13.978 3.218 ( 8.679 0.000 10.957) 13.978 3.291 ( -9.282 0.000 -7.715) 12.070 3.291 ( -9.282 0.000 7.715) 12.070 3.516 ( 2.105 0.000 -11.060) 11.259 3.516 ( 2.105 0.000 11.060) 11.259 3.618 ( -6.311 0.000 -17.660) 18.753 3.618 ( -6.311 0.000 17.660) 18.753 3.950 ( 0.732 0.000 -11.385) 11.408 3.950 ( 0.732 0.000 11.385) 11.408 3.956 ( -9.974 0.000 -7.310) 12.365 3.956 ( -9.974 0.000 7.310) 12.365 4.286 ( -2.489 0.000 -11.983) 12.239 4.286 ( -2.489 0.000 11.983) 12.239 4.373 ( 2.725 0.000 -10.327) 10.681 4.373 ( 2.725 0.000 10.327) 10.681 4.750 ( -6.315 0.000 -8.697) 10.748 4.750 ( -6.315 0.000 8.697) 10.748 4.799 ( -0.318 0.000 -9.495) 9.500 4.799 ( -0.318 0.000 9.495) 9.500 5.071 ( -4.367 0.000 -6.896) 8.163 5.071 ( -4.367 0.000 6.896) 8.163 5.376 ( -12.006 0.000 -16.428) 20.348 5.376 ( -12.006 0.000 16.428) 20.348 5.567 ( -8.084 0.000 -9.016) 12.109 5.567 ( -8.084 0.000 9.016) 12.109 5.674 ( -5.738 0.000 -3.379) 6.659 5.674 ( -5.738 0.000 3.379) 6.659 5.708 ( 3.474 0.000 -0.871) 3.581 5.708 ( 3.474 0.000 0.871) 3.581 5.935 ( -3.807 0.000 -8.874) 9.656 5.935 ( -3.807 0.000 8.874) 9.656 6.246 ( -0.433 0.000 -9.931) 9.940 6.246 ( -0.433 0.000 9.931) 9.940 6.410 ( -3.274 0.000 -7.262) 7.966 6.410 ( -3.274 0.000 7.262) 7.966 6.601 ( 7.016 0.000 -3.573) 7.873 6.601 ( 7.016 0.000 3.573) 7.873 7.064 ( -0.291 0.000 -8.007) 8.012 7.064 ( -0.291 0.000 8.007) 8.012 7.096 ( 5.078 0.000 -4.480) 6.772 7.096 ( 5.078 0.000 4.480) 6.772 7.210 ( 3.141 0.000 -8.547) 9.106 7.210 ( 3.141 0.000 8.547) 9.106 7.566 ( -0.284 0.000 -9.180) 9.184 7.566 ( -0.284 0.000 9.180) 9.184 7.618 ( -2.346 0.000 -5.054) 5.572 7.618 ( -2.346 0.000 5.054) 5.572 7.850 ( 2.206 0.000 -5.751) 6.160 7.850 ( 2.206 0.000 5.751) 6.160 7.903 ( 1.493 0.000 -12.305) 12.395 7.903 ( 1.493 0.000 12.305) 12.395 8.121 ( 4.444 0.000 -2.433) 5.066 8.121 ( 4.444 0.000 2.433) 5.066 8.217 ( -0.797 0.000 -6.216) 6.267 8.217 ( -0.797 0.000 6.216) 6.267 8.499 ( 0.252 0.000 -7.720) 7.724 8.499 ( 0.252 0.000 7.720) 7.724 8.523 ( -0.532 0.000 -7.921) 7.939 8.523 ( -0.532 0.000 7.921) 7.939 8.701 ( 12.255 0.000 -3.654) 12.788 8.701 ( 12.255 0.000 3.654) 12.788 8.918 ( 12.258 0.000 -11.089) 16.529 8.918 ( 12.258 0.000 11.089) 16.529 9.032 ( 1.218 0.000 -5.195) 5.336 9.032 ( 1.218 0.000 5.195) 5.336 9.156 ( -2.625 0.000 -6.030) 6.576 9.156 ( -2.625 0.000 6.030) 6.576 9.255 ( -1.730 0.000 -9.120) 9.283 9.255 ( -1.730 0.000 9.120) 9.283 9.428 ( -6.164 0.000 -7.108) 9.408 9.428 ( -6.164 0.000 7.108) 9.408 9.596 ( 5.505 0.000 -5.059) 7.477 9.596 ( 5.505 0.000 5.059) 7.477 9.704 ( 5.659 0.000 -5.457) 7.862 9.704 ( 5.659 0.000 5.457) 7.862 9.889 ( 3.785 0.000 -3.635) 5.248 9.889 ( 3.785 0.000 3.635) 5.248 10.036 ( 3.124 0.000 -3.454) 4.657 10.036 ( 3.124 0.000 3.454) 4.657 10.383 ( 0.510 0.000 -6.379) 6.400 10.383 ( 0.510 0.000 6.379) 6.400 10.418 ( 4.216 0.000 -11.787) 12.518 10.418 ( 4.216 0.000 11.787) 12.518 10.577 ( 6.294 0.000 -9.488) 11.386 10.577 ( 6.294 0.000 9.488) 11.386 10.685 ( 1.992 0.000 -4.906) 5.295 10.685 ( 1.992 0.000 4.906) 5.295 10.901 ( -1.313 0.000 -7.077) 7.198 10.901 ( -1.313 0.000 7.077) 7.198 10.915 ( -5.710 0.000 -10.752) 12.175 10.915 ( -5.710 0.000 10.752) 12.175 11.425 ( 1.060 0.000 -3.552) 3.707 11.425 ( 1.060 0.000 3.552) 3.707 11.543 ( -2.764 0.000 -7.850) 8.322 11.543 ( -2.764 0.000 7.850) 8.322 11.929 ( -4.233 0.000 -4.861) 6.446 11.929 ( -4.233 0.000 4.861) 6.446 11.930 ( -4.428 0.000 -9.144) 10.160 11.930 ( -4.428 0.000 9.144) 10.160 12.245 ( -1.795 0.000 -9.184) 9.358 12.245 ( -1.795 0.000 9.184) 9.358 12.293 ( -2.032 0.000 -8.313) 8.558 12.293 ( -2.032 0.000 8.313) 8.558 12.719 ( 4.553 0.000 -5.310) 6.995 12.719 ( 4.554 0.000 5.310) 6.995 12.733 ( 1.422 0.000 -3.583) 3.855 12.733 ( 1.422 0.000 3.583) 3.855 12.862 ( -0.374 0.000 -3.135) 3.157 12.862 ( -0.374 0.000 3.135) 3.157 13.145 ( -7.663 0.000 -8.918) 11.758 13.145 ( -7.663 0.000 8.918) 11.758 13.296 ( 0.938 0.000 -5.123) 5.209 13.296 ( 0.938 0.000 5.123) 5.209 13.464 ( 2.695 0.000 -4.930) 5.619 13.464 ( 2.695 0.000 4.930) 5.619 15.072 ( -0.924 0.000 -3.835) 3.945 15.072 ( -0.924 0.000 3.835) 3.945 15.075 ( -2.849 0.000 -3.426) 4.456 15.075 ( -2.849 0.000 3.426) 4.456 15.813 ( -5.765 0.000 -4.933) 7.588 15.813 ( -5.765 0.000 4.933) 7.588 15.872 ( -7.683 0.000 -10.527) 13.033 15.872 ( -7.683 0.000 10.527) 13.033 16.255 ( 0.980 0.000 -4.448) 4.554 16.255 ( 0.980 0.000 4.448) 4.554 16.424 ( -0.976 0.000 -7.405) 7.469 16.424 ( -0.976 0.000 7.405) 7.469 16.669 ( -1.710 0.000 -5.411) 5.674 16.669 ( -1.710 0.000 5.411) 5.674 16.710 ( -0.425 0.000 -5.917) 5.933 16.710 ( -0.425 0.000 5.917) 5.933 17.000 ( 4.244 0.000 -6.463) 7.732 17.000 ( 4.244 0.000 6.463) 7.732 17.069 ( 1.927 0.000 -2.072) 2.830 17.069 ( 1.927 0.000 2.072) 2.830 17.250 ( -0.194 0.000 -5.852) 5.855 17.250 ( -0.194 0.000 5.852) 5.855 17.290 ( -2.640 0.000 -5.440) 6.047 17.290 ( -2.640 0.000 5.440) 6.047 17.901 ( 0.634 0.000 -3.446) 3.504 17.901 ( 0.634 0.000 3.446) 3.504 17.921 ( -1.087 0.000 -2.226) 2.477 17.921 ( -1.087 0.000 2.226) 2.477 18.394 ( 4.422 0.000 -5.372) 6.958 18.394 ( 4.422 0.000 5.372) 6.958 18.408 ( 2.567 0.000 -3.837) 4.616 18.408 ( 2.567 0.000 3.837) 4.616 18.853 ( -0.777 0.000 -4.589) 4.655 18.853 ( -0.777 0.000 4.589) 4.655 18.888 ( -2.820 0.000 -1.527) 3.207 18.888 ( -2.820 0.000 1.528) 3.207 19.285 ( 2.868 0.000 -8.121) 8.613 19.285 ( 2.868 0.000 8.121) 8.613 19.372 ( -0.395 0.000 -4.738) 4.754 19.372 ( -0.395 0.000 4.738) 4.754 27.188 ( 3.058 0.000 -3.027) 4.303 27.188 ( 3.058 0.000 3.027) 4.303 27.336 ( -3.452 0.000 -5.505) 6.498 27.336 ( -3.452 0.000 5.505) 6.498 27.936 ( 4.745 0.000 -5.694) 7.412 27.936 ( 4.745 0.000 5.694) 7.412 27.979 ( 1.316 0.000 -6.449) 6.582 27.979 ( 1.316 0.000 6.449) 6.582 28.301 ( 6.954 0.000 -4.654) 8.368 28.301 ( 6.954 0.000 4.654) 8.368 28.484 ( -3.160 0.000 -1.264) 3.403 28.484 ( -3.160 0.000 1.264) 3.403 28.964 ( -3.475 0.000 -2.729) 4.419 28.964 ( -3.475 0.000 2.729) 4.419 29.012 ( -5.969 0.000 -2.320) 6.404 29.012 ( -5.969 0.000 2.320) 6.404 29.337 ( 1.685 0.000 -3.270) 3.678 29.337 ( 1.685 0.000 3.270) 3.678 29.418 ( -1.518 0.000 -2.755) 3.145 29.418 ( -1.518 0.000 2.755) 3.145 30.018 ( 0.715 0.000 -4.198) 4.259 30.018 ( 0.715 0.000 4.198) 4.259 30.113 ( -4.792 0.000 -6.204) 7.839 30.113 ( -4.792 0.000 6.204) 7.839 31.042 ( 6.305 0.000 -8.794) 10.821 31.042 ( 6.305 0.000 8.794) 10.821 31.087 ( 3.403 0.000 -7.124) 7.895 31.087 ( 3.403 0.000 7.124) 7.895 31.508 ( 5.627 0.000 -1.947) 5.954 31.508 ( 5.627 0.000 1.947) 5.954 31.521 ( 2.167 0.000 -3.757) 4.338 31.521 ( 2.167 0.000 3.757) 4.338 31.861 ( -2.772 0.000 -5.939) 6.554 31.861 ( -2.772 0.000 5.939) 6.554 31.906 ( -0.122 0.000 -5.744) 5.745 31.906 ( -0.122 0.000 5.744) 5.745 32.114 ( -1.070 0.000 -5.844) 5.941 32.114 ( -1.070 0.000 5.844) 5.941 32.116 ( -0.501 0.000 -3.628) 3.662 32.116 ( -0.501 0.000 3.628) 3.662 33.854 ( 7.315 0.000 -12.311) 14.320 33.854 ( 7.315 0.000 12.311) 14.320 34.143 ( -7.827 0.000 -16.348) 18.125 34.143 ( -7.827 0.000 16.348) 18.125 36.340 ( 0.628 0.000 -10.364) 10.383 36.340 ( 0.628 0.000 10.364) 10.383 36.461 ( -5.223 0.000 -5.304) 7.444 36.461 ( -5.223 0.000 5.304) 7.444 ======================= Grid point 111 (40/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -1.909 0.000 -12.359) 12.505 2.183 ( 1.909 0.000 -12.359) 12.505 2.183 ( -1.909 0.000 12.359) 12.505 2.183 ( 1.909 0.000 12.359) 12.505 2.666 ( -11.286 0.000 -16.913) 20.333 2.666 ( 11.286 0.000 -16.913) 20.333 2.666 ( -11.286 0.000 16.913) 20.333 2.666 ( 11.286 0.000 16.913) 20.333 2.905 ( -7.869 0.000 -3.896) 8.781 2.905 ( 7.869 0.000 -3.896) 8.781 2.905 ( -7.869 0.000 3.896) 8.781 2.905 ( 7.869 0.000 3.896) 8.781 3.282 ( -5.329 0.000 -20.727) 21.401 3.282 ( 5.329 0.000 -20.727) 21.401 3.282 ( -5.329 0.000 20.727) 21.401 3.282 ( 5.329 0.000 20.727) 21.401 3.581 ( -3.144 0.000 -19.559) 19.810 3.581 ( 3.144 0.000 -19.559) 19.810 3.581 ( -3.144 0.000 19.559) 19.810 3.581 ( 3.144 0.000 19.559) 19.810 3.836 ( -5.645 0.000 -5.754) 8.060 3.836 ( 5.645 0.000 -5.754) 8.060 3.836 ( -5.645 0.000 5.754) 8.060 3.836 ( 5.645 0.000 5.754) 8.060 4.369 ( -3.899 0.000 -7.554) 8.501 4.369 ( 3.899 0.000 -7.554) 8.501 4.369 ( -3.899 0.000 7.554) 8.501 4.369 ( 3.899 0.000 7.554) 8.501 4.741 ( -3.193 0.000 -14.431) 14.780 4.741 ( 3.193 0.000 -14.431) 14.780 4.741 ( -3.193 0.000 14.431) 14.780 4.741 ( 3.193 0.000 14.431) 14.780 5.118 ( -7.654 0.000 -5.808) 9.608 5.118 ( 7.654 0.000 -5.808) 9.608 5.118 ( -7.654 0.000 5.808) 9.608 5.118 ( 7.654 0.000 5.808) 9.608 5.558 ( -3.665 0.000 -8.150) 8.936 5.558 ( 3.665 0.000 -8.150) 8.936 5.558 ( -3.665 0.000 8.150) 8.936 5.558 ( 3.665 0.000 8.150) 8.936 5.812 ( -6.085 0.000 -10.263) 11.931 5.812 ( 6.085 0.000 -10.263) 11.931 5.812 ( -6.085 0.000 10.263) 11.931 5.812 ( 6.085 0.000 10.263) 11.931 6.296 ( -5.041 0.000 -7.648) 9.160 6.296 ( 5.041 0.000 -7.648) 9.160 6.296 ( -5.041 0.000 7.648) 9.160 6.296 ( 5.041 0.000 7.648) 9.160 6.898 ( -14.321 0.000 -5.217) 15.242 6.898 ( -14.321 0.000 5.217) 15.242 6.898 ( 14.321 0.000 -5.217) 15.242 6.898 ( 14.321 0.000 5.217) 15.242 7.203 ( -1.064 0.000 -7.632) 7.706 7.203 ( 1.064 0.000 -7.632) 7.706 7.203 ( -1.064 0.000 7.632) 7.706 7.203 ( 1.064 0.000 7.632) 7.706 7.562 ( -1.195 0.000 -5.667) 5.791 7.562 ( 1.195 0.000 -5.667) 5.791 7.562 ( -1.195 0.000 5.667) 5.791 7.562 ( 1.195 0.000 5.667) 5.791 7.902 ( -0.787 0.000 -10.579) 10.608 7.902 ( 0.787 0.000 -10.579) 10.608 7.902 ( -0.787 0.000 10.579) 10.608 7.902 ( 0.787 0.000 10.579) 10.608 8.180 ( -0.623 0.000 -2.807) 2.876 8.180 ( 0.623 0.000 -2.807) 2.876 8.180 ( -0.623 0.000 2.807) 2.876 8.180 ( 0.623 0.000 2.807) 2.876 8.490 ( -0.135 0.000 -7.174) 7.175 8.490 ( 0.135 0.000 -7.174) 7.175 8.490 ( -0.135 0.000 7.174) 7.175 8.490 ( 0.135 0.000 7.174) 7.175 8.942 ( -8.914 0.000 -6.919) 11.284 8.942 ( 8.914 0.000 -6.919) 11.284 8.942 ( -8.914 0.000 6.919) 11.284 8.942 ( 8.914 0.000 6.919) 11.284 9.088 ( -1.073 0.000 -6.524) 6.612 9.088 ( 1.073 0.000 -6.524) 6.612 9.088 ( -1.073 0.000 6.524) 6.612 9.088 ( 1.073 0.000 6.524) 6.612 9.289 ( -5.477 0.000 -7.000) 8.889 9.289 ( 5.477 0.000 -7.000) 8.889 9.289 ( -5.477 0.000 7.000) 8.889 9.289 ( 5.477 0.000 7.000) 8.889 9.740 ( -3.684 0.000 -8.445) 9.214 9.740 ( 3.684 0.000 -8.445) 9.214 9.740 ( -3.684 0.000 8.445) 9.214 9.740 ( 3.684 0.000 8.445) 9.214 10.022 ( -4.092 0.000 -3.521) 5.398 10.022 ( 4.092 0.000 -3.521) 5.398 10.022 ( -4.092 0.000 3.521) 5.398 10.022 ( 4.092 0.000 3.521) 5.398 10.406 ( -1.130 0.000 -10.325) 10.386 10.406 ( 1.130 0.000 -10.325) 10.386 10.406 ( -1.130 0.000 10.325) 10.386 10.406 ( 1.130 0.000 10.325) 10.386 10.688 ( -4.226 0.000 -6.904) 8.095 10.688 ( 4.226 0.000 -6.904) 8.095 10.688 ( -4.226 0.000 6.904) 8.095 10.688 ( 4.226 0.000 6.904) 8.095 10.867 ( -1.706 0.000 -4.828) 5.120 10.867 ( 1.706 0.000 -4.828) 5.120 10.867 ( -1.706 0.000 4.828) 5.120 10.867 ( 1.706 0.000 4.828) 5.120 11.469 ( -3.556 0.000 -3.102) 4.719 11.469 ( 3.556 0.000 -3.102) 4.719 11.469 ( -3.556 0.000 3.102) 4.719 11.469 ( 3.556 0.000 3.102) 4.719 11.871 ( -0.019 0.000 -7.640) 7.640 11.871 ( 0.019 0.000 -7.640) 7.640 11.871 ( -0.019 0.000 7.640) 7.640 11.871 ( 0.019 0.000 7.640) 7.640 12.249 ( -0.591 0.000 -11.147) 11.163 12.249 ( 0.591 0.000 -11.147) 11.163 12.249 ( -0.591 0.000 11.147) 11.163 12.249 ( 0.591 0.000 11.147) 11.163 12.765 ( -0.333 0.000 -4.185) 4.198 12.765 ( 0.333 0.000 -4.185) 4.198 12.765 ( -0.333 0.000 4.185) 4.198 12.765 ( 0.333 0.000 4.185) 4.198 12.917 ( -7.198 0.000 -5.641) 9.145 12.917 ( 7.198 0.000 -5.641) 9.145 12.917 ( -7.198 0.000 5.641) 9.145 12.917 ( 7.198 0.000 5.641) 9.145 13.438 ( -3.764 0.000 -7.226) 8.147 13.438 ( 3.764 0.000 -7.226) 8.147 13.438 ( -3.764 0.000 7.226) 8.147 13.438 ( 3.764 0.000 7.226) 8.147 15.062 ( -0.360 0.000 -3.712) 3.730 15.062 ( 0.360 0.000 -3.712) 3.730 15.062 ( -0.360 0.000 3.712) 3.730 15.062 ( 0.360 0.000 3.712) 3.730 15.763 ( -0.526 0.000 -8.788) 8.804 15.763 ( 0.526 0.000 -8.788) 8.804 15.763 ( -0.526 0.000 8.788) 8.804 15.763 ( 0.526 0.000 8.788) 8.804 16.337 ( -5.844 0.000 -2.601) 6.397 16.337 ( 5.844 0.000 -2.601) 6.397 16.337 ( -5.844 0.000 2.601) 6.397 16.337 ( 5.844 0.000 2.601) 6.397 16.686 ( -1.369 0.000 -5.464) 5.633 16.686 ( 1.369 0.000 -5.464) 5.633 16.686 ( -1.369 0.000 5.464) 5.633 16.686 ( 1.369 0.000 5.464) 5.633 17.074 ( -1.649 0.000 -2.012) 2.601 17.074 ( 1.649 0.000 -2.012) 2.601 17.074 ( -1.649 0.000 2.012) 2.601 17.074 ( 1.649 0.000 2.012) 2.601 17.246 ( -0.937 0.000 -5.954) 6.027 17.246 ( 0.937 0.000 -5.954) 6.027 17.246 ( -0.937 0.000 5.954) 6.027 17.246 ( 0.937 0.000 5.954) 6.027 17.907 ( -0.015 0.000 -1.754) 1.755 17.907 ( -0.015 0.000 1.754) 1.755 17.907 ( 0.015 0.000 -1.754) 1.755 17.907 ( 0.015 0.000 1.754) 1.755 18.442 ( -0.000 0.000 -2.876) 2.876 18.442 ( 0.000 0.000 -2.876) 2.876 18.442 ( -0.000 0.000 2.876) 2.876 18.442 ( 0.000 0.000 2.876) 2.876 18.846 ( -0.127 0.000 -2.795) 2.797 18.846 ( 0.127 0.000 -2.795) 2.797 18.846 ( -0.127 0.000 2.795) 2.797 18.846 ( 0.127 0.000 2.795) 2.797 19.341 ( -1.473 0.000 -7.465) 7.609 19.341 ( 1.473 0.000 -7.465) 7.609 19.341 ( -1.473 0.000 7.465) 7.609 19.341 ( 1.473 0.000 7.465) 7.609 27.259 ( -4.017 0.000 -4.282) 5.871 27.259 ( 4.017 0.000 -4.282) 5.871 27.259 ( -4.017 0.000 4.282) 5.871 27.259 ( 4.017 0.000 4.282) 5.871 27.990 ( -0.102 0.000 -7.045) 7.046 27.990 ( 0.102 0.000 -7.045) 7.046 27.990 ( -0.102 0.000 7.045) 7.046 27.990 ( 0.102 0.000 7.045) 7.046 28.417 ( -4.173 0.000 -3.160) 5.235 28.417 ( 4.173 0.000 -3.160) 5.235 28.417 ( -4.173 0.000 3.160) 5.235 28.417 ( 4.173 0.000 3.160) 5.235 28.934 ( -0.659 0.000 -2.408) 2.496 28.934 ( 0.659 0.000 -2.408) 2.496 28.934 ( -0.659 0.000 2.408) 2.496 28.934 ( 0.659 0.000 2.408) 2.496 29.380 ( -2.149 0.000 -3.131) 3.798 29.380 ( 2.149 0.000 -3.131) 3.798 29.380 ( -2.149 0.000 3.131) 3.798 29.380 ( 2.149 0.000 3.131) 3.798 30.045 ( -2.091 0.000 -5.097) 5.509 30.045 ( 2.091 0.000 -5.097) 5.509 30.045 ( -2.091 0.000 5.097) 5.509 30.045 ( 2.091 0.000 5.097) 5.509 31.112 ( -0.460 0.000 -8.126) 8.139 31.112 ( 0.460 0.000 -8.126) 8.139 31.112 ( -0.460 0.000 8.126) 8.139 31.112 ( 0.460 0.000 8.126) 8.139 31.562 ( -0.246 0.000 -1.747) 1.764 31.562 ( 0.246 0.000 -1.747) 1.764 31.562 ( -0.246 0.000 1.747) 1.764 31.562 ( 0.246 0.000 1.747) 1.764 31.862 ( -2.881 0.000 -6.122) 6.766 31.862 ( 2.881 0.000 -6.122) 6.766 31.862 ( -2.881 0.000 6.122) 6.766 31.862 ( 2.881 0.000 6.122) 6.766 32.109 ( -0.034 0.000 -5.434) 5.434 32.109 ( 0.034 0.000 -5.434) 5.434 32.109 ( -0.034 0.000 5.434) 5.434 32.109 ( 0.034 0.000 5.434) 5.434 33.997 ( -7.322 0.000 -14.113) 15.899 33.997 ( 7.322 0.000 -14.113) 15.899 33.997 ( -7.322 0.000 14.113) 15.899 33.997 ( 7.322 0.000 14.113) 15.899 36.376 ( -3.168 0.000 -6.355) 7.101 36.376 ( 3.168 0.000 -6.355) 7.101 36.376 ( -3.168 0.000 6.355) 7.101 36.376 ( 3.168 0.000 6.355) 7.101 ======================= Grid point 119 (41/48) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 -14.490 -1.040) 14.527 1.661 ( 0.000 -14.490 1.040) 14.527 1.958 ( 0.000 5.221 -22.440) 23.039 1.958 ( 0.000 5.221 22.440) 23.039 2.342 ( 0.000 9.626 -5.655) 11.164 2.342 ( 0.000 9.626 5.655) 11.164 2.617 ( 0.000 0.209 -2.249) 2.258 2.617 ( 0.000 0.209 2.249) 2.258 2.856 ( 0.000 -10.461 -9.157) 13.903 2.856 ( 0.000 -10.461 9.157) 13.903 2.977 ( 0.000 -5.342 -7.360) 9.094 2.977 ( 0.000 -5.342 7.360) 9.094 3.153 ( 0.000 -5.497 -7.881) 9.608 3.153 ( 0.000 -5.497 7.881) 9.608 3.351 ( 0.000 -0.531 -1.823) 1.899 3.351 ( 0.000 -0.531 1.823) 1.899 3.665 ( 0.000 11.917 -1.570) 12.020 3.665 ( 0.000 11.917 1.570) 12.020 3.840 ( 0.000 2.488 -7.950) 8.331 3.840 ( 0.000 2.488 7.950) 8.331 4.017 ( 0.000 1.451 -4.986) 5.193 4.017 ( 0.000 1.451 4.986) 5.193 4.209 ( 0.000 -2.273 -0.385) 2.305 4.209 ( 0.000 -2.273 0.385) 2.305 4.446 ( 0.000 -4.037 -11.741) 12.416 4.446 ( 0.000 -4.037 11.741) 12.416 4.592 ( 0.000 -6.744 -3.701) 7.693 4.592 ( 0.000 -6.744 3.701) 7.693 4.740 ( 0.000 11.596 -2.453) 11.852 4.740 ( 0.000 11.596 2.453) 11.852 5.069 ( 0.000 -3.697 -6.404) 7.395 5.069 ( 0.000 -3.697 6.404) 7.395 5.267 ( 0.000 7.754 -4.210) 8.823 5.267 ( 0.000 7.754 4.210) 8.823 5.407 ( 0.000 8.341 -5.059) 9.756 5.407 ( 0.000 8.341 5.059) 9.756 5.622 ( 0.000 11.263 -2.797) 11.605 5.622 ( 0.000 11.263 2.797) 11.605 5.779 ( 0.000 5.116 -7.177) 8.814 5.779 ( 0.000 5.116 7.177) 8.814 5.924 ( 0.000 -6.559 -12.342) 13.977 5.924 ( 0.000 -6.559 12.342) 13.977 6.228 ( 0.000 -3.719 -1.757) 4.113 6.228 ( 0.000 -3.719 1.757) 4.113 6.371 ( 0.000 1.287 -1.682) 2.118 6.371 ( 0.000 1.287 1.682) 2.118 6.562 ( 0.000 1.873 -5.011) 5.349 6.562 ( 0.000 1.873 5.011) 5.349 6.676 ( 0.000 -0.933 -14.261) 14.292 6.676 ( 0.000 -0.933 14.261) 14.292 6.990 ( 0.000 -2.944 -11.247) 11.626 6.990 ( 0.000 -2.944 11.247) 11.626 7.063 ( 0.000 -7.991 -3.402) 8.685 7.063 ( 0.000 -7.991 3.402) 8.685 7.182 ( 0.000 -1.474 -8.344) 8.473 7.182 ( 0.000 -1.474 8.344) 8.473 7.237 ( 0.000 0.945 -2.585) 2.753 7.237 ( 0.000 0.945 2.585) 2.753 7.523 ( 0.000 -3.484 -0.771) 3.568 7.523 ( 0.000 -3.484 0.771) 3.568 7.659 ( 0.000 -3.893 -0.694) 3.955 7.659 ( 0.000 -3.893 0.694) 3.955 7.848 ( 0.000 -1.509 -0.712) 1.669 7.848 ( 0.000 -1.509 0.712) 1.669 7.886 ( 0.000 6.966 -0.985) 7.035 7.886 ( 0.000 6.966 0.985) 7.035 7.979 ( 0.000 -4.146 -1.064) 4.280 7.979 ( 0.000 -4.146 1.064) 4.280 8.266 ( 0.000 -1.201 -2.934) 3.171 8.266 ( 0.000 -1.201 2.934) 3.171 8.381 ( 0.000 -3.681 -0.817) 3.771 8.381 ( 0.000 -3.681 0.817) 3.771 8.521 ( 0.000 5.805 -0.954) 5.883 8.521 ( 0.000 5.805 0.954) 5.883 8.757 ( 0.000 -2.930 -4.812) 5.634 8.757 ( 0.000 -2.930 4.812) 5.634 9.092 ( 0.000 -1.881 -5.366) 5.686 9.092 ( 0.000 -1.881 5.366) 5.686 9.192 ( 0.000 2.001 -0.922) 2.203 9.192 ( 0.000 2.001 0.922) 2.203 9.335 ( 0.000 2.045 -1.660) 2.634 9.335 ( 0.000 2.045 1.660) 2.634 9.461 ( 0.000 2.408 -1.956) 3.103 9.461 ( 0.000 2.408 1.956) 3.103 9.629 ( 0.000 4.808 -2.402) 5.375 9.629 ( 0.000 4.808 2.402) 5.375 9.751 ( 0.000 2.607 -2.995) 3.971 9.751 ( 0.000 2.607 2.995) 3.971 9.896 ( 0.000 1.250 -6.459) 6.579 9.896 ( 0.000 1.250 6.459) 6.579 9.910 ( 0.000 -1.830 -1.211) 2.195 9.910 ( 0.000 -1.830 1.211) 2.195 10.295 ( 0.000 -0.149 -3.838) 3.841 10.295 ( 0.000 -0.149 3.838) 3.841 10.369 ( 0.000 -0.009 -1.797) 1.797 10.369 ( 0.000 -0.009 1.797) 1.797 10.485 ( 0.000 3.658 -3.111) 4.802 10.485 ( 0.000 3.658 3.111) 4.802 10.640 ( 0.000 -2.240 -4.810) 5.306 10.640 ( 0.000 -2.240 4.810) 5.306 10.922 ( 0.000 1.964 -6.690) 6.972 10.922 ( 0.000 1.964 6.690) 6.972 11.067 ( 0.000 2.358 -9.018) 9.321 11.067 ( 0.000 2.358 9.018) 9.321 11.404 ( 0.000 0.853 -6.664) 6.719 11.404 ( 0.000 0.853 6.664) 6.719 11.572 ( 0.000 -0.245 -10.176) 10.178 11.572 ( 0.000 -0.245 10.176) 10.178 11.965 ( 0.000 -1.377 -3.131) 3.421 11.965 ( 0.000 -1.377 3.131) 3.421 12.041 ( 0.000 -0.377 -3.826) 3.845 12.041 ( 0.000 -0.377 3.826) 3.845 12.325 ( 0.000 6.159 -2.090) 6.504 12.325 ( 0.000 6.159 2.090) 6.504 12.495 ( 0.000 4.848 -5.545) 7.365 12.495 ( 0.000 4.848 5.545) 7.365 12.583 ( 0.000 -0.241 -5.448) 5.454 12.583 ( 0.000 -0.241 5.448) 5.454 12.617 ( 0.000 -0.602 -4.497) 4.538 12.617 ( 0.000 -0.602 4.497) 4.538 12.834 ( 0.000 1.003 -0.579) 1.158 12.834 ( 0.000 1.003 0.579) 1.158 12.972 ( 0.000 -0.415 -2.088) 2.129 12.972 ( 0.000 -0.415 2.088) 2.129 13.216 ( 0.000 -7.778 -0.767) 7.815 13.216 ( 0.000 -7.778 0.767) 7.815 13.541 ( 0.000 -14.973 -5.308) 15.885 13.541 ( 0.000 -14.973 5.308) 15.885 15.154 ( 0.000 2.661 -2.874) 3.917 15.154 ( 0.000 2.661 2.874) 3.917 15.285 ( 0.000 -3.177 -5.476) 6.330 15.285 ( 0.000 -3.177 5.476) 6.330 16.001 ( 0.000 -0.365 -1.497) 1.541 16.001 ( 0.000 -0.365 1.497) 1.541 16.029 ( 0.000 0.449 -0.310) 0.546 16.029 ( 0.000 0.449 0.310) 0.546 16.273 ( 0.000 -1.801 -4.547) 4.890 16.273 ( 0.000 -1.801 4.547) 4.890 16.354 ( 0.000 -0.806 -5.218) 5.280 16.354 ( 0.000 -0.806 5.218) 5.280 16.713 ( 0.000 -0.421 -4.154) 4.175 16.713 ( 0.000 -0.421 4.154) 4.175 16.835 ( 0.000 -4.150 -4.667) 6.245 16.835 ( 0.000 -4.150 4.667) 6.245 17.036 ( 0.000 8.352 -1.465) 8.480 17.036 ( 0.000 8.352 1.465) 8.480 17.107 ( 0.000 5.227 -5.863) 7.854 17.107 ( 0.000 5.227 5.863) 7.854 17.196 ( 0.000 3.699 -4.880) 6.123 17.196 ( 0.000 3.699 4.880) 6.123 17.376 ( 0.000 2.460 -6.076) 6.555 17.376 ( 0.000 2.460 6.076) 6.555 17.770 ( 0.000 -1.955 -3.065) 3.636 17.770 ( 0.000 -1.955 3.065) 3.636 17.964 ( 0.000 -2.060 -1.377) 2.478 17.964 ( 0.000 -2.060 1.377) 2.478 18.233 ( 0.000 -1.368 -1.186) 1.810 18.233 ( 0.000 -1.368 1.186) 1.810 18.389 ( 0.000 -1.279 -1.359) 1.866 18.389 ( 0.000 -1.279 1.359) 1.866 18.785 ( 0.000 -0.502 -4.516) 4.544 18.785 ( 0.000 -0.502 4.516) 4.544 18.939 ( 0.000 -1.455 -2.909) 3.253 18.939 ( 0.000 -1.455 2.909) 3.253 19.251 ( 0.000 1.625 -2.618) 3.081 19.251 ( 0.000 1.625 2.618) 3.081 19.324 ( 0.000 -1.646 -5.730) 5.962 19.324 ( 0.000 -1.646 5.730) 5.962 27.152 ( 0.000 1.653 -0.025) 1.653 27.152 ( 0.000 1.653 0.025) 1.653 27.361 ( 0.000 -1.478 -3.216) 3.539 27.361 ( 0.000 -1.478 3.216) 3.539 27.787 ( 0.000 -0.058 -1.053) 1.055 27.787 ( 0.000 -0.058 1.053) 1.055 27.937 ( 0.000 -0.216 -0.505) 0.550 27.937 ( 0.000 -0.216 0.505) 0.550 28.129 ( 0.000 0.218 -0.709) 0.741 28.129 ( 0.000 0.218 0.709) 0.741 28.557 ( 0.000 -2.403 -2.951) 3.805 28.557 ( 0.000 -2.403 2.951) 3.805 29.072 ( 0.000 1.726 -2.641) 3.155 29.072 ( 0.000 1.726 2.641) 3.155 29.161 ( 0.000 2.066 -1.611) 2.620 29.161 ( 0.000 2.066 1.611) 2.620 29.297 ( 0.000 -5.124 -2.009) 5.503 29.297 ( 0.000 -5.124 2.009) 5.503 29.497 ( 0.000 2.555 -0.515) 2.606 29.497 ( 0.000 2.555 0.515) 2.606 30.042 ( 0.000 3.044 -0.518) 3.088 30.042 ( 0.000 3.044 0.518) 3.088 30.290 ( 0.000 0.288 -6.523) 6.530 30.290 ( 0.000 0.288 6.523) 6.530 30.768 ( 0.000 -1.367 -4.107) 4.329 30.768 ( 0.000 -1.367 4.107) 4.329 30.922 ( 0.000 0.009 -1.022) 1.022 30.922 ( 0.000 0.009 1.022) 1.022 31.322 ( 0.000 -2.732 -2.225) 3.524 31.322 ( 0.000 -2.732 2.225) 3.524 31.563 ( 0.000 4.532 -3.135) 5.510 31.563 ( 0.000 4.532 3.135) 5.510 31.826 ( 0.000 -1.018 -4.675) 4.785 31.826 ( 0.000 -1.018 4.675) 4.785 31.942 ( 0.000 -0.941 -5.423) 5.504 31.942 ( 0.000 -0.941 5.423) 5.504 32.116 ( 0.000 -1.009 -4.072) 4.195 32.116 ( 0.000 -1.009 4.072) 4.195 32.180 ( 0.000 0.877 -3.606) 3.711 32.180 ( 0.000 0.877 3.606) 3.711 33.679 ( 0.000 0.472 -10.382) 10.393 33.679 ( 0.000 0.472 10.382) 10.393 34.325 ( 0.000 -2.388 -18.335) 18.490 34.325 ( 0.000 -2.388 18.335) 18.490 36.360 ( 0.000 1.095 -13.326) 13.371 36.360 ( 0.000 1.095 13.326) 13.371 36.591 ( 0.000 -0.929 -8.402) 8.453 36.591 ( 0.000 -0.929 8.402) 8.453 ======================= Grid point 121 (42/48) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.894 -10.355 -8.552) 13.984 1.741 ( 3.894 -10.355 8.552) 13.984 1.952 ( 3.378 -4.266 -19.927) 20.657 1.952 ( 3.378 -4.266 19.927) 20.657 2.369 ( 1.347 4.322 -8.335) 9.485 2.369 ( 1.347 4.322 8.335) 9.485 2.606 ( -3.527 -5.281 -1.457) 6.516 2.606 ( -3.527 -5.281 1.457) 6.516 2.786 ( -5.652 -12.782 -8.622) 16.421 2.786 ( -5.652 -12.782 8.622) 16.421 2.976 ( 2.932 -8.098 -7.899) 11.687 2.976 ( 2.932 -8.098 7.899) 11.687 3.248 ( 6.508 4.406 -11.875) 14.240 3.248 ( 6.508 4.406 11.875) 14.240 3.345 ( 0.634 -2.811 -6.421) 7.038 3.345 ( 0.634 -2.811 6.421) 7.038 3.621 ( -3.640 8.199 -3.317) 9.565 3.621 ( -3.640 8.199 3.317) 9.565 3.852 ( 2.912 7.185 -11.567) 13.925 3.852 ( 2.912 7.185 11.567) 13.925 4.037 ( 1.037 3.346 -6.529) 7.409 4.037 ( 1.037 3.346 6.529) 7.409 4.148 ( -3.955 -3.612 -7.733) 9.407 4.148 ( -3.955 -3.612 7.733) 9.407 4.416 ( -10.490 8.189 -9.771) 16.509 4.416 ( -10.490 8.189 9.771) 16.509 4.539 ( -3.680 5.097 -8.763) 10.785 4.539 ( -3.680 5.097 8.763) 10.785 4.719 ( 1.309 4.408 -5.243) 6.974 4.719 ( 1.309 4.408 5.243) 6.974 5.084 ( -4.223 3.474 -5.878) 8.028 5.084 ( -4.223 3.474 5.878) 8.028 5.181 ( -9.440 5.178 -1.560) 10.880 5.181 ( -9.440 5.178 1.560) 10.880 5.339 ( 3.690 -5.025 -5.217) 8.129 5.339 ( 3.690 -5.025 5.217) 8.129 5.610 ( -1.392 4.643 -13.100) 13.968 5.610 ( -1.392 4.643 13.100) 13.968 5.739 ( -12.279 -8.470 -7.650) 16.764 5.739 ( -12.279 -8.470 7.650) 16.764 5.891 ( 1.138 8.135 -4.200) 9.226 5.891 ( 1.138 8.135 4.200) 9.226 6.109 ( -11.625 -0.613 -4.056) 12.327 6.109 ( -11.625 -0.613 4.056) 12.327 6.381 ( 0.538 0.793 -5.743) 5.823 6.381 ( 0.538 0.793 5.743) 5.823 6.492 ( -3.591 8.501 -6.272) 11.158 6.492 ( -3.591 8.501 6.272) 11.158 6.608 ( -5.251 -0.312 -14.613) 15.531 6.608 ( -5.251 -0.312 14.613) 15.531 6.837 ( -2.355 -8.382 -5.361) 10.225 6.837 ( -2.355 -8.382 5.361) 10.225 7.025 ( 1.183 -4.255 -9.979) 10.913 7.025 ( 1.183 -4.255 9.979) 10.913 7.213 ( -0.651 -1.431 -1.885) 2.455 7.213 ( -0.651 -1.431 1.885) 2.455 7.433 ( 4.226 -5.308 -4.629) 8.214 7.433 ( 4.226 -5.308 4.629) 8.214 7.543 ( 2.574 -7.201 -4.568) 8.908 7.543 ( 2.574 -7.201 4.568) 8.908 7.742 ( 6.122 -0.119 -2.827) 6.744 7.742 ( 6.122 -0.119 2.827) 6.744 7.861 ( 1.687 -2.129 -4.390) 5.162 7.861 ( 1.687 -2.129 4.390) 5.162 8.003 ( 8.330 3.863 -1.458) 9.297 8.003 ( 8.330 3.863 1.458) 9.297 8.107 ( 12.597 -2.672 -7.814) 15.062 8.107 ( 12.597 -2.672 7.814) 15.062 8.328 ( 6.939 -1.596 -6.302) 9.508 8.328 ( 6.939 -1.596 6.302) 9.508 8.424 ( 5.527 -1.494 -2.698) 6.329 8.424 ( 5.527 -1.494 2.698) 6.329 8.603 ( 5.919 6.294 -2.753) 9.068 8.603 ( 5.919 6.294 2.753) 9.068 8.797 ( 2.980 -0.937 -4.788) 5.717 8.797 ( 2.980 -0.937 4.788) 5.717 9.094 ( 0.060 1.734 -3.750) 4.132 9.094 ( 0.060 1.734 3.750) 4.132 9.211 ( -0.529 2.584 -3.176) 4.128 9.211 ( -0.529 2.584 3.176) 4.128 9.333 ( -0.273 1.443 -2.388) 2.803 9.333 ( -0.273 1.443 2.388) 2.803 9.454 ( 1.504 1.092 -3.017) 3.543 9.454 ( 1.504 1.092 3.017) 3.543 9.617 ( -1.686 1.997 -1.100) 2.836 9.617 ( -1.686 1.997 1.100) 2.836 9.719 ( -3.070 2.926 -1.485) 4.494 9.719 ( -3.070 2.926 1.485) 4.494 9.896 ( 2.479 3.137 -1.912) 4.432 9.896 ( 2.479 3.137 1.912) 4.432 9.979 ( 5.420 2.615 -4.078) 7.269 9.979 ( 5.420 2.615 4.078) 7.269 10.267 ( -2.016 -3.013 -2.640) 4.485 10.267 ( -2.016 -3.013 2.640) 4.485 10.357 ( 0.073 -2.721 -3.745) 4.630 10.357 ( 0.073 -2.721 3.745) 4.630 10.493 ( 1.569 2.691 -5.414) 6.246 10.493 ( 1.569 2.691 5.414) 6.246 10.635 ( 1.158 -2.765 -6.226) 6.910 10.635 ( 1.158 -2.765 6.226) 6.910 10.924 ( -1.251 0.993 -7.793) 7.955 10.924 ( -1.251 0.993 7.793) 7.955 11.056 ( -1.929 3.043 -9.606) 10.259 11.056 ( -1.929 3.043 9.606) 10.259 11.420 ( 1.333 1.307 -6.607) 6.866 11.420 ( 1.333 1.307 6.607) 6.866 11.570 ( -0.508 -0.318 -9.074) 9.094 11.570 ( -0.508 -0.318 9.074) 9.094 11.948 ( -1.557 -0.872 -4.149) 4.516 11.948 ( -1.557 -0.872 4.149) 4.516 12.014 ( -2.700 -0.172 -7.066) 7.566 12.014 ( -2.700 -0.172 7.066) 7.566 12.282 ( -3.332 2.222 -4.822) 6.268 12.282 ( -3.332 2.222 4.822) 6.268 12.407 ( -5.567 1.605 -2.178) 6.190 12.407 ( -5.567 1.605 2.178) 6.190 12.618 ( 2.987 -0.979 -3.299) 4.556 12.618 ( 2.987 -0.979 3.299) 4.556 12.698 ( 4.154 1.334 -3.113) 5.360 12.698 ( 4.154 1.334 3.113) 5.360 12.880 ( 1.744 2.327 -1.316) 3.192 12.880 ( 1.744 2.327 1.316) 3.192 13.027 ( 6.979 -0.795 -5.746) 9.075 13.027 ( 6.979 -0.795 5.746) 9.075 13.233 ( 0.023 -9.181 -3.851) 9.956 13.233 ( 0.023 -9.181 3.851) 9.956 13.502 ( -2.460 -7.142 -8.349) 11.259 13.502 ( -2.460 -7.142 8.349) 11.259 15.128 ( -2.439 2.232 -2.845) 4.362 15.128 ( -2.439 2.232 2.845) 4.362 15.202 ( -6.925 -0.381 -3.577) 7.803 15.202 ( -6.925 -0.381 3.577) 7.803 15.919 ( -6.210 -0.836 -4.694) 7.829 15.919 ( -6.210 -0.836 4.694) 7.829 15.986 ( -3.070 -0.043 -2.235) 3.798 15.986 ( -3.070 -0.043 2.235) 3.798 16.300 ( -0.674 -0.893 -6.740) 6.832 16.300 ( -0.674 -0.893 6.740) 6.832 16.399 ( 2.659 0.710 -3.743) 4.646 16.399 ( 2.659 0.710 3.743) 4.646 16.643 ( -5.715 -2.029 -6.469) 8.867 16.643 ( -5.715 -2.029 6.469) 8.867 16.778 ( -3.385 -2.169 -4.144) 5.774 16.778 ( -3.385 -2.169 4.144) 5.774 16.998 ( -2.445 6.405 -2.181) 7.194 16.998 ( -2.445 6.405 2.181) 7.194 17.080 ( 0.579 2.966 -4.436) 5.367 17.080 ( 0.579 2.966 4.436) 5.367 17.232 ( 1.078 1.309 -2.213) 2.788 17.232 ( 1.078 1.309 2.213) 2.788 17.369 ( -1.078 1.923 -3.944) 4.518 17.369 ( -1.078 1.923 3.944) 4.518 17.783 ( 0.148 -4.147 -4.554) 6.161 17.783 ( 0.148 -4.147 4.554) 6.161 17.960 ( -0.463 -1.828 -1.930) 2.699 17.960 ( -0.463 -1.828 1.930) 2.699 18.280 ( 4.040 -0.525 -2.685) 4.879 18.280 ( 4.040 -0.525 2.685) 4.879 18.390 ( 1.003 -0.621 -3.157) 3.370 18.390 ( 1.003 -0.621 3.157) 3.370 18.810 ( 1.483 -0.418 -4.845) 5.084 18.810 ( 1.483 -0.418 4.845) 5.084 18.934 ( -0.443 -1.250 -3.798) 4.023 18.934 ( -0.443 -1.250 3.798) 4.023 19.272 ( 1.963 2.266 -3.805) 4.844 19.272 ( 1.963 2.266 3.805) 4.844 19.353 ( 2.377 -0.710 -3.939) 4.655 19.353 ( 2.377 -0.710 3.939) 4.655 27.166 ( 1.329 1.795 -1.647) 2.775 27.166 ( 1.329 1.795 1.647) 2.775 27.353 ( -1.099 -2.147 -4.107) 4.763 27.353 ( -1.099 -2.147 4.107) 4.763 27.835 ( 4.600 0.507 -2.150) 5.103 27.835 ( 4.600 0.507 2.150) 5.103 27.956 ( 1.871 -0.244 -2.488) 3.122 27.956 ( 1.871 -0.244 2.488) 3.122 28.183 ( 5.157 0.488 -4.108) 6.612 28.183 ( 5.157 0.488 4.108) 6.612 28.522 ( -3.110 -2.100 -3.044) 4.832 28.522 ( -3.110 -2.100 3.044) 4.832 29.040 ( -3.102 0.970 -2.107) 3.873 29.040 ( -3.102 0.970 2.107) 3.873 29.129 ( -3.609 0.659 -3.114) 4.812 29.129 ( -3.609 0.659 3.114) 4.812 29.310 ( 1.160 -1.609 -2.147) 2.923 29.310 ( 1.160 -1.609 2.147) 2.923 29.457 ( -3.037 1.190 -1.339) 3.526 29.457 ( -3.037 1.190 1.339) 3.526 30.039 ( -0.187 2.346 -2.339) 3.318 30.039 ( -0.187 2.346 2.339) 3.318 30.226 ( -5.418 0.360 -6.560) 8.516 30.226 ( -5.418 0.360 6.560) 8.516 30.868 ( 8.634 -1.248 -6.527) 10.895 30.868 ( 8.634 -1.248 6.527) 10.895 30.990 ( 5.452 -0.152 -5.266) 7.582 30.990 ( 5.452 -0.152 5.266) 7.582 31.349 ( 3.045 -2.739 -2.030) 4.571 31.349 ( 3.045 -2.739 2.030) 4.571 31.572 ( 0.728 3.992 -2.919) 4.999 31.572 ( 0.728 3.992 2.919) 4.999 31.842 ( 1.225 -1.554 -5.491) 5.837 31.842 ( 1.225 -1.554 5.491) 5.837 31.924 ( -1.588 -0.473 -4.533) 4.826 31.924 ( -1.588 -0.473 4.533) 4.826 32.119 ( 0.313 -0.176 -4.029) 4.045 32.119 ( 0.313 -0.176 4.029) 4.045 32.160 ( -1.762 0.628 -3.694) 4.141 32.160 ( -1.762 0.628 3.694) 4.141 33.726 ( 4.658 0.015 -11.112) 12.049 33.726 ( 4.658 0.015 11.112) 12.049 34.269 ( -5.332 -1.490 -17.739) 18.583 34.269 ( -5.332 -1.490 17.739) 18.583 36.352 ( -0.622 0.928 -12.370) 12.420 36.352 ( -0.622 0.928 12.370) 12.420 36.548 ( -4.073 -0.841 -7.589) 8.654 36.548 ( -4.073 -0.841 7.589) 8.654 ======================= Grid point 123 (43/48) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 1.131 -13.698 -13.276) 19.109 1.751 ( 1.131 -13.698 13.276) 19.109 2.070 ( -4.807 -19.705 -6.820) 21.398 2.070 ( -4.807 -19.705 6.820) 21.398 2.281 ( 1.373 -16.817 -8.457) 18.873 2.281 ( 1.373 -16.817 8.457) 18.873 2.592 ( 2.348 0.312 -8.346) 8.676 2.592 ( 2.348 0.312 8.346) 8.676 2.759 ( 4.308 -5.639 -3.147) 7.763 2.759 ( 4.308 -5.639 3.147) 7.763 3.092 ( 4.515 -5.218 -7.508) 10.197 3.092 ( 4.515 -5.218 7.508) 10.197 3.266 ( -2.157 1.980 -6.177) 6.836 3.266 ( -2.157 1.980 6.177) 6.836 3.392 ( -0.960 3.203 -7.814) 8.499 3.392 ( -0.960 3.203 7.814) 8.499 3.564 ( -2.265 8.985 -10.728) 14.175 3.564 ( -2.265 8.985 10.728) 14.175 3.826 ( -9.181 0.580 -6.246) 11.119 3.826 ( -9.181 0.580 6.246) 11.119 3.986 ( -2.032 16.497 -6.887) 17.992 3.986 ( -2.032 16.497 6.887) 17.992 4.136 ( -0.574 3.434 -2.089) 4.061 4.136 ( -0.574 3.434 2.089) 4.061 4.266 ( 6.591 7.292 -11.706) 15.286 4.266 ( 6.591 7.292 11.706) 15.286 4.494 ( -3.891 4.296 -11.790) 13.137 4.494 ( -3.891 4.296 11.790) 13.137 4.712 ( -3.162 1.289 -6.258) 7.129 4.712 ( -3.162 1.289 6.258) 7.129 4.932 ( -7.743 9.160 -4.254) 12.726 4.932 ( -7.743 9.160 4.254) 12.726 5.041 ( -3.811 -0.478 -5.991) 7.116 5.041 ( -3.811 -0.478 5.991) 7.116 5.355 ( -5.541 -4.740 -5.251) 8.986 5.355 ( -5.541 -4.740 5.251) 8.986 5.461 ( -5.904 -3.165 -2.845) 7.278 5.461 ( -5.904 -3.165 2.845) 7.278 5.656 ( -6.032 1.513 -5.196) 8.104 5.656 ( -6.032 1.513 5.196) 8.104 5.794 ( -2.237 1.553 -4.051) 4.881 5.794 ( -2.237 1.553 4.051) 4.881 5.990 ( -2.352 2.031 -3.926) 5.007 5.990 ( -2.352 2.031 3.926) 5.007 6.356 ( -2.351 6.739 -7.809) 10.579 6.356 ( -2.351 6.739 7.809) 10.579 6.450 ( -4.487 4.205 -7.648) 9.813 6.450 ( -4.487 4.205 7.648) 9.813 6.592 ( 8.295 -0.717 -4.058) 9.262 6.592 ( 8.295 -0.717 4.058) 9.262 6.845 ( 1.878 -9.155 -4.440) 10.346 6.845 ( 1.878 -9.155 4.440) 10.346 7.095 ( 2.164 -4.733 -6.155) 8.060 7.095 ( 2.164 -4.733 6.155) 8.060 7.216 ( 2.646 -4.839 -2.961) 6.260 7.216 ( 2.646 -4.839 2.961) 6.260 7.473 ( 0.802 -6.733 -7.448) 10.072 7.473 ( 0.802 -6.733 7.448) 10.072 7.554 ( -0.159 -3.897 -6.048) 7.197 7.554 ( -0.159 -3.897 6.048) 7.197 7.834 ( 2.463 1.752 -3.753) 4.819 7.834 ( 2.463 1.752 3.753) 4.819 7.911 ( 2.247 -1.351 -8.053) 8.469 7.911 ( 2.247 -1.351 8.053) 8.469 8.116 ( 3.562 2.809 -3.019) 5.449 8.116 ( 3.562 2.809 3.019) 5.449 8.238 ( 0.373 -1.435 -2.711) 3.090 8.238 ( 0.373 -1.435 2.711) 3.090 8.473 ( 5.433 0.902 -6.416) 8.456 8.473 ( 5.433 0.902 6.416) 8.456 8.565 ( 2.504 2.659 -4.492) 5.790 8.565 ( 2.504 2.659 4.492) 5.790 8.700 ( 6.436 -0.668 -4.854) 8.089 8.700 ( 6.436 -0.668 4.854) 8.089 8.844 ( 2.778 -4.145 -7.168) 8.734 8.844 ( 2.778 -4.145 7.168) 8.734 9.096 ( -0.556 2.796 -3.756) 4.716 9.096 ( -0.556 2.796 3.756) 4.716 9.187 ( -6.000 -2.090 -5.476) 8.388 9.187 ( -6.000 -2.090 5.476) 8.388 9.290 ( 3.649 5.808 -2.337) 7.246 9.290 ( 3.649 5.808 2.337) 7.246 9.518 ( -2.985 6.193 -4.355) 8.139 9.518 ( -2.985 6.193 4.355) 8.139 9.604 ( 7.027 2.663 -3.363) 8.233 9.604 ( 7.027 2.663 3.363) 8.233 9.760 ( 6.415 2.264 -7.003) 9.763 9.760 ( 6.415 2.264 7.003) 9.763 9.941 ( 2.043 3.884 -4.123) 6.022 9.941 ( 2.043 3.884 4.123) 6.022 10.047 ( 0.199 1.174 -2.225) 2.523 10.047 ( 0.199 1.174 2.225) 2.523 10.283 ( 3.591 -4.235 -5.297) 7.674 10.283 ( 3.591 -4.235 5.297) 7.674 10.422 ( 6.313 -3.710 -5.906) 9.408 10.422 ( 6.313 -3.710 5.906) 9.408 10.567 ( 6.080 0.889 -4.975) 7.906 10.567 ( 6.080 0.889 4.975) 7.906 10.685 ( 2.335 -1.090 -4.291) 5.005 10.685 ( 2.335 -1.090 4.291) 5.005 10.863 ( -4.026 0.016 -7.351) 8.381 10.863 ( -4.026 0.016 7.351) 8.381 10.974 ( -6.085 1.654 -9.057) 11.036 10.974 ( -6.085 1.654 9.057) 11.036 11.438 ( 0.362 1.325 -5.763) 5.925 11.438 ( 0.362 1.325 5.763) 5.925 11.539 ( -2.917 -0.561 -6.953) 7.561 11.539 ( -2.917 -0.561 6.953) 7.561 11.905 ( -3.034 -0.356 -3.318) 4.510 11.905 ( -3.034 -0.356 3.318) 4.510 11.941 ( -4.130 0.820 -7.178) 8.322 11.941 ( -4.130 0.820 7.178) 8.322 12.230 ( -1.478 -0.025 -6.904) 7.061 12.230 ( -1.478 -0.025 6.904) 7.061 12.318 ( -3.637 -0.881 -4.590) 5.922 12.318 ( -3.637 -0.881 4.590) 5.922 12.678 ( 3.105 -1.979 -2.327) 4.356 12.678 ( 3.105 -1.979 2.327) 4.356 12.750 ( 1.985 0.967 -4.526) 5.036 12.750 ( 1.985 0.967 4.526) 5.036 12.880 ( -0.865 1.453 -4.156) 4.487 12.880 ( -0.865 1.453 4.156) 4.487 13.051 ( -7.878 -8.002 -3.102) 11.650 13.051 ( -7.878 -8.002 3.102) 11.650 13.296 ( 9.203 2.981 -7.658) 12.338 13.296 ( 9.203 2.981 7.658) 12.338 13.501 ( 1.077 -0.008 -5.648) 5.750 13.501 ( 1.077 -0.008 5.648) 5.750 15.071 ( -2.513 0.908 -2.823) 3.887 15.071 ( -2.513 0.908 2.823) 3.887 15.100 ( -2.885 0.991 -2.206) 3.765 15.100 ( -2.885 0.991 2.206) 3.765 15.808 ( -4.592 1.098 -7.560) 8.913 15.808 ( -4.592 1.098 7.560) 8.913 15.912 ( -5.089 1.419 -8.946) 10.390 15.912 ( -5.089 1.419 8.946) 10.390 16.239 ( -1.437 -0.480 -4.530) 4.776 16.239 ( -1.437 -0.480 4.530) 4.776 16.400 ( -4.252 -2.336 -7.716) 9.114 16.400 ( -4.252 -2.336 7.716) 9.114 16.595 ( 2.216 -3.551 -4.521) 6.161 16.595 ( 2.216 -3.551 4.521) 6.161 16.743 ( -1.535 0.376 -5.506) 5.728 16.743 ( -1.535 0.376 5.506) 5.728 16.987 ( 1.701 0.628 -4.548) 4.896 16.987 ( 1.701 0.628 4.548) 4.896 17.105 ( 0.550 1.527 -5.544) 5.776 17.105 ( 0.550 1.527 5.544) 5.776 17.233 ( -0.117 0.186 -2.503) 2.512 17.233 ( -0.117 0.186 2.503) 2.512 17.332 ( -2.667 1.430 -1.569) 3.409 17.332 ( -2.667 1.430 1.569) 3.409 17.776 ( -0.289 -5.304 -5.101) 7.365 17.776 ( -0.289 -5.304 5.101) 7.365 17.938 ( -1.512 -3.454 -4.167) 5.620 17.938 ( -1.512 -3.454 4.167) 5.620 18.360 ( 3.847 0.107 -3.104) 4.944 18.360 ( 3.847 0.107 3.104) 4.944 18.432 ( 2.320 -0.296 -3.609) 4.300 18.432 ( 2.320 -0.296 3.609) 4.300 18.825 ( 0.427 0.413 -2.762) 2.826 18.825 ( 0.427 0.413 2.762) 2.826 18.917 ( -1.450 -0.027 -3.069) 3.394 18.917 ( -1.450 -0.027 3.069) 3.394 19.319 ( 2.514 2.881 -6.191) 7.277 19.319 ( 2.514 2.881 6.191) 7.277 19.389 ( 0.958 0.899 -5.062) 5.229 19.389 ( 0.958 0.899 5.062) 5.229 27.202 ( 2.335 1.276 -2.856) 3.904 27.202 ( 2.335 1.276 2.856) 3.904 27.314 ( -2.738 -1.919 -4.488) 5.597 27.314 ( -2.738 -1.919 4.488) 5.597 27.930 ( 4.004 0.869 -3.159) 5.174 27.930 ( 4.004 0.869 3.159) 5.174 28.004 ( 2.784 0.432 -4.764) 5.535 28.004 ( 2.784 0.432 4.764) 5.535 28.304 ( 6.482 0.366 -5.266) 8.360 28.304 ( 6.482 0.366 5.266) 8.360 28.461 ( -2.672 -1.664 -1.237) 3.382 28.461 ( -2.672 -1.664 1.237) 3.382 28.971 ( -3.396 0.456 -2.174) 4.058 28.971 ( -3.396 0.456 2.174) 4.058 29.026 ( -5.932 0.957 -3.100) 6.761 29.026 ( -5.932 0.957 3.100) 6.761 29.338 ( 1.645 0.289 -3.037) 3.466 29.338 ( 1.645 0.289 3.037) 3.466 29.408 ( -1.969 -0.841 -2.496) 3.288 29.408 ( -1.969 -0.841 2.496) 3.288 30.039 ( 0.351 1.628 -3.531) 3.904 30.039 ( 0.351 1.628 3.531) 3.904 30.124 ( -4.419 0.757 -5.692) 7.245 30.124 ( -4.419 0.757 5.692) 7.245 31.027 ( 6.259 -1.085 -8.073) 10.272 31.027 ( 6.259 -1.085 8.073) 10.272 31.079 ( 3.156 -0.756 -6.989) 7.706 31.079 ( 3.156 -0.756 6.989) 7.706 31.441 ( 5.929 -2.242 -2.946) 6.990 31.441 ( 5.929 -2.242 2.946) 6.990 31.584 ( 0.135 1.775 -2.712) 3.244 31.584 ( 0.135 1.775 2.712) 3.244 31.849 ( -0.470 -0.277 -5.077) 5.106 31.849 ( -0.470 -0.277 5.077) 5.106 31.898 ( -1.135 -0.965 -2.999) 3.348 31.898 ( -1.135 -0.965 2.999) 3.348 32.118 ( -0.733 0.782 -2.623) 2.834 32.118 ( -0.733 0.782 2.623) 2.834 32.134 ( -0.311 0.732 -2.965) 3.069 32.134 ( -0.311 0.732 2.965) 3.069 33.846 ( 7.236 -0.505 -12.536) 14.484 33.846 ( 7.236 -0.505 12.536) 14.484 34.140 ( -7.378 -0.278 -16.228) 17.829 34.140 ( -7.378 -0.278 16.228) 17.829 36.346 ( 0.260 0.477 -9.515) 9.530 36.346 ( 0.260 0.477 9.515) 9.530 36.454 ( -4.990 -0.589 -5.596) 7.521 36.454 ( -4.990 -0.589 5.596) 7.521 ======================= Grid point 125 (44/48) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.000 -19.800 -25.511) 32.293 1.794 ( 0.000 -19.800 25.511) 32.293 1.919 ( 0.000 -18.944 -14.342) 23.760 1.919 ( 0.000 -18.944 14.342) 23.760 2.449 ( -0.000 -21.688 -13.356) 25.471 2.449 ( 0.000 -21.688 13.356) 25.471 2.492 ( 0.000 -16.705 -12.143) 20.652 2.492 ( 0.000 -16.705 12.143) 20.652 2.944 ( -0.000 8.448 -11.228) 14.051 2.944 ( -0.000 8.448 11.228) 14.051 3.067 ( 0.000 11.705 -15.229) 19.208 3.067 ( 0.000 11.705 15.229) 19.208 3.221 ( 0.000 1.500 -8.941) 9.066 3.221 ( 0.000 1.500 8.941) 9.066 3.342 ( -0.000 3.705 -14.921) 15.374 3.342 ( 0.000 3.705 14.921) 15.374 3.542 ( 0.000 -7.962 -9.068) 12.068 3.542 ( 0.000 -7.962 9.068) 12.068 3.712 ( 0.000 -1.784 -16.312) 16.409 3.712 ( 0.000 -1.784 16.312) 16.409 3.955 ( 0.000 18.299 -12.275) 22.035 3.955 ( 0.000 18.299 12.275) 22.035 4.169 ( 0.000 16.936 -11.863) 20.677 4.169 ( 0.000 16.936 11.863) 20.677 4.351 ( 0.000 1.029 -7.088) 7.162 4.351 ( 0.000 1.029 7.088) 7.162 4.480 ( 0.000 6.068 -9.834) 11.556 4.480 ( 0.000 6.068 9.834) 11.556 4.689 ( -0.000 2.993 -5.122) 5.932 4.689 ( 0.000 2.993 5.122) 5.932 4.811 ( 0.000 1.413 -8.260) 8.380 4.811 ( 0.000 1.413 8.260) 8.380 5.065 ( 0.000 1.198 -3.001) 3.231 5.065 ( 0.000 1.199 3.001) 3.231 5.205 ( 0.000 4.812 -7.736) 9.111 5.205 ( 0.000 4.812 7.736) 9.111 5.476 ( -0.000 -7.499 -8.129) 11.060 5.476 ( 0.000 -7.499 8.129) 11.060 5.477 ( 0.000 -1.649 -11.567) 11.684 5.477 ( -0.000 -1.649 11.567) 11.684 5.864 ( -0.000 0.687 -6.461) 6.497 5.864 ( 0.000 0.687 6.461) 6.497 5.928 ( -0.000 2.782 -6.217) 6.811 5.928 ( 0.000 2.782 6.217) 6.811 6.346 ( -0.000 6.687 -9.023) 11.231 6.346 ( -0.000 6.687 9.023) 11.231 6.377 ( 0.000 8.267 -12.092) 14.648 6.377 ( 0.000 8.267 12.092) 14.648 6.776 ( 0.000 -6.582 -4.465) 7.954 6.776 ( 0.000 -6.582 4.465) 7.954 6.822 ( 0.000 -12.347 -8.375) 14.919 6.822 ( 0.000 -12.347 8.375) 14.919 7.127 ( 0.000 1.026 -4.095) 4.221 7.127 ( 0.000 1.026 4.095) 4.221 7.237 ( 0.000 -6.217 -8.309) 10.377 7.237 ( 0.000 -6.217 8.309) 10.377 7.500 ( -0.000 -1.339 -6.281) 6.422 7.500 ( -0.000 -1.339 6.281) 6.422 7.526 ( 0.000 -2.627 -7.206) 7.669 7.526 ( 0.000 -2.627 7.206) 7.669 7.871 ( 0.000 0.522 -9.562) 9.576 7.871 ( 0.000 0.522 9.562) 9.576 7.908 ( 0.000 -1.299 -6.991) 7.110 7.908 ( -0.000 -1.299 6.991) 7.110 8.155 ( 0.000 1.222 -4.607) 4.766 8.155 ( 0.000 1.222 4.607) 4.766 8.224 ( 0.000 -0.627 -3.263) 3.323 8.224 ( 0.000 -0.627 3.263) 3.323 8.520 ( 0.000 3.058 -6.457) 7.145 8.520 ( -0.000 3.058 6.457) 7.145 8.553 ( 0.000 3.222 -7.899) 8.531 8.553 ( 0.000 3.222 7.899) 8.531 8.834 ( -0.000 -4.495 -7.191) 8.480 8.834 ( -0.000 -4.495 7.191) 8.480 8.846 ( 0.000 -5.127 -8.558) 9.976 8.846 ( -0.000 -5.127 8.558) 9.976 9.080 ( 0.000 -1.224 -2.645) 2.914 9.080 ( 0.000 -1.224 2.645) 2.914 9.099 ( -0.000 -2.957 -1.425) 3.282 9.099 ( 0.000 -2.957 1.425) 3.282 9.393 ( -0.000 8.127 -2.712) 8.567 9.393 ( -0.000 8.127 2.712) 8.567 9.419 ( 0.000 8.996 -5.584) 10.588 9.419 ( 0.000 8.996 5.584) 10.588 9.765 ( -0.000 1.336 -8.290) 8.396 9.765 ( -0.000 1.336 8.290) 8.396 9.781 ( 0.000 1.357 -8.748) 8.853 9.781 ( 0.000 1.357 8.748) 8.853 9.986 ( 0.000 0.575 -4.078) 4.118 9.986 ( 0.000 0.575 4.078) 4.118 10.044 ( -0.000 -0.386 -6.670) 6.682 10.044 ( -0.000 -0.386 6.670) 6.682 10.358 ( 0.000 1.194 -1.778) 2.142 10.358 ( 0.000 1.194 1.778) 2.142 10.484 ( 0.000 1.878 -10.006) 10.180 10.484 ( 0.000 1.878 10.006) 10.180 10.670 ( -0.000 -1.111 -7.997) 8.074 10.670 ( -0.000 -1.111 7.997) 8.074 10.674 ( -0.000 -1.367 -4.138) 4.358 10.674 ( 0.000 -1.367 4.138) 4.358 10.849 ( 0.000 -1.555 -6.353) 6.541 10.849 ( 0.000 -1.555 6.353) 6.541 10.868 ( -0.000 -0.607 -11.610) 11.626 10.868 ( 0.000 -0.607 11.610) 11.626 11.451 ( 0.000 -0.216 -5.673) 5.677 11.451 ( 0.000 -0.216 5.673) 5.677 11.481 ( -0.000 0.465 -4.722) 4.745 11.481 ( 0.000 0.465 4.722) 4.745 11.862 ( 0.000 0.353 -3.795) 3.811 11.862 ( 0.000 0.353 3.795) 3.811 11.894 ( 0.000 1.520 -10.798) 10.905 11.894 ( 0.000 1.520 10.798) 10.905 12.222 ( 0.000 -0.045 -11.031) 11.031 12.222 ( 0.000 -0.045 11.031) 11.031 12.277 ( 0.000 -0.910 -9.894) 9.936 12.277 ( 0.000 -0.910 9.894) 9.936 12.726 ( 0.000 -1.402 -5.557) 5.731 12.726 ( 0.000 -1.402 5.557) 5.731 12.771 ( -0.000 -2.534 -1.839) 3.131 12.771 ( 0.000 -2.534 1.839) 3.131 12.874 ( 0.000 0.424 -3.986) 4.009 12.874 ( 0.000 0.424 3.986) 4.009 12.932 ( 0.000 -0.673 -3.930) 3.987 12.932 ( -0.000 -0.673 3.930) 3.987 13.422 ( 0.000 1.497 -5.642) 5.837 13.422 ( 0.000 1.497 5.642) 5.837 13.496 ( 0.000 1.045 -7.939) 8.007 13.496 ( 0.000 1.045 7.939) 8.007 15.062 ( -0.000 0.057 -4.303) 4.303 15.062 ( 0.000 0.057 4.303) 4.303 15.063 ( 0.000 0.123 -5.148) 5.150 15.063 ( 0.000 0.123 5.148) 5.150 15.763 ( 0.000 2.679 -9.556) 9.925 15.763 ( 0.000 2.679 9.556) 9.925 15.841 ( 0.000 3.646 -11.815) 12.364 15.841 ( 0.000 3.646 11.815) 12.364 16.276 ( -0.000 -4.248 -4.034) 5.858 16.276 ( 0.000 -4.248 4.034) 5.858 16.302 ( 0.000 -3.372 -2.199) 4.026 16.302 ( -0.000 -3.372 2.199) 4.026 16.664 ( -0.000 -0.660 -6.185) 6.220 16.664 ( 0.000 -0.660 6.185) 6.220 16.693 ( 0.000 -0.317 -4.430) 4.442 16.693 ( -0.000 -0.317 4.430) 4.442 17.045 ( 0.000 -1.098 -3.411) 3.584 17.045 ( -0.000 -1.098 3.411) 3.584 17.071 ( 0.000 -1.130 -4.508) 4.647 17.071 ( 0.000 -1.130 4.508) 4.648 17.255 ( 0.000 0.713 -4.361) 4.419 17.255 ( 0.000 0.713 4.361) 4.419 17.282 ( 0.000 2.298 -4.370) 4.938 17.282 ( 0.000 2.298 4.370) 4.938 17.775 ( 0.000 -5.364 -5.354) 7.579 17.775 ( 0.000 -5.364 5.354) 7.579 17.920 ( 0.000 -4.326 -4.858) 6.505 17.920 ( 0.000 -4.326 4.858) 6.505 18.408 ( 0.000 -0.503 -4.075) 4.106 18.408 ( 0.000 -0.503 4.075) 4.106 18.451 ( 0.000 -0.278 -5.516) 5.523 18.451 ( 0.000 -0.278 5.516) 5.523 18.835 ( 0.000 1.472 -1.324) 1.980 18.835 ( 0.000 1.472 1.324) 1.980 18.893 ( 0.000 0.702 -4.015) 4.076 18.893 ( 0.000 0.702 4.015) 4.076 19.350 ( 0.000 2.450 -6.836) 7.262 19.350 ( 0.000 2.450 6.836) 7.262 19.393 ( 0.000 2.102 -6.972) 7.282 19.393 ( 0.000 2.102 6.972) 7.282 27.249 ( -0.000 -0.278 -3.627) 3.638 27.249 ( 0.000 -0.278 3.627) 3.638 27.261 ( 0.000 -0.323 -4.172) 4.185 27.261 ( -0.000 -0.323 4.172) 4.185 27.970 ( 0.000 0.883 -5.574) 5.644 27.970 ( 0.000 0.883 5.574) 5.644 28.037 ( 0.000 0.959 -7.111) 7.176 28.037 ( 0.000 0.959 7.111) 7.176 28.394 ( 0.000 -0.737 -3.556) 3.631 28.394 ( 0.000 -0.737 3.556) 3.631 28.420 ( 0.000 -0.586 -3.930) 3.974 28.420 ( 0.000 -0.586 3.930) 3.974 28.933 ( 0.000 0.855 -2.724) 2.855 28.933 ( 0.000 0.855 2.724) 2.855 28.955 ( 0.000 0.804 -2.147) 2.292 28.955 ( 0.000 0.804 2.147) 2.292 29.367 ( 0.000 -0.503 -3.698) 3.732 29.367 ( 0.000 -0.503 3.698) 3.732 29.378 ( -0.000 -0.578 -3.608) 3.654 29.378 ( 0.000 -0.578 3.608) 3.654 30.055 ( -0.000 1.236 -4.739) 4.897 30.055 ( 0.000 1.236 4.739) 4.897 30.068 ( 0.000 1.194 -4.405) 4.564 30.068 ( -0.000 1.194 4.405) 4.564 31.087 ( 0.000 -0.967 -7.725) 7.785 31.087 ( 0.000 -0.967 7.725) 7.785 31.110 ( 0.000 -1.065 -7.699) 7.772 31.110 ( 0.000 -1.065 7.699) 7.772 31.533 ( 0.000 -0.849 -3.953) 4.043 31.533 ( 0.000 -0.849 3.953) 4.043 31.563 ( 0.000 -1.004 -2.517) 2.710 31.563 ( 0.000 -1.004 2.517) 2.710 31.859 ( 0.000 -0.229 -3.385) 3.393 31.859 ( -0.000 -0.229 3.385) 3.393 31.866 ( -0.000 -0.106 -5.091) 5.092 31.866 ( 0.000 -0.106 5.091) 5.092 32.112 ( 0.000 1.121 -5.320) 5.437 32.112 ( 0.000 1.121 5.320) 5.437 32.132 ( 0.000 0.932 -5.220) 5.302 32.132 ( 0.000 0.932 5.220) 5.302 33.989 ( -0.000 -0.269 -14.338) 14.340 33.989 ( 0.000 -0.269 14.338) 14.340 33.997 ( 0.000 -0.280 -14.285) 14.288 33.997 ( -0.000 -0.280 14.285) 14.288 36.371 ( -0.000 -0.105 -6.051) 6.052 36.371 ( 0.000 -0.105 6.051) 6.052 36.379 ( 0.000 -0.112 -6.030) 6.031 36.379 ( -0.000 -0.112 6.030) 6.031 ======================= Grid point 133 (45/48) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 0.000 -9.197) 9.197 1.440 ( 0.000 0.000 9.197) 9.197 2.120 ( 0.000 0.000 -16.595) 16.595 2.120 ( 0.000 0.000 16.595) 16.595 2.518 ( 0.000 0.000 -18.335) 18.335 2.518 ( 0.000 -0.000 18.335) 18.335 2.550 ( 0.000 -0.000 -9.234) 9.234 2.550 ( 0.000 0.000 9.234) 9.234 2.722 ( 0.000 0.000 -4.026) 4.026 2.722 ( 0.000 0.000 4.026) 4.026 2.778 ( 0.000 -0.000 -1.974) 1.974 2.778 ( 0.000 -0.000 1.974) 1.974 3.242 ( 0.000 0.000 -22.071) 22.071 3.242 ( 0.000 -0.000 22.071) 22.071 3.285 ( 0.000 0.000 -2.800) 2.800 3.285 ( 0.000 -0.000 2.800) 2.800 3.802 ( 0.000 0.000 -6.614) 6.614 3.802 ( 0.000 0.000 6.614) 6.614 3.920 ( 0.000 0.000 -11.361) 11.361 3.920 ( 0.000 -0.000 11.361) 11.361 4.046 ( 0.000 -0.000 -10.262) 10.262 4.046 ( 0.000 0.000 10.262) 10.262 4.065 ( 0.000 -0.000 -6.457) 6.457 4.065 ( 0.000 0.000 6.457) 6.457 4.394 ( 0.000 0.000 -11.646) 11.646 4.394 ( 0.000 0.000 11.646) 11.646 4.565 ( 0.000 0.000 -18.543) 18.543 4.565 ( 0.000 0.000 18.543) 18.543 4.934 ( 0.000 -0.000 -5.944) 5.944 4.934 ( 0.000 -0.000 5.944) 5.944 4.964 ( 0.000 0.000 -6.014) 6.014 4.964 ( 0.000 0.000 6.014) 6.014 5.416 ( 0.000 -0.000 -1.763) 1.763 5.416 ( 0.000 0.000 1.763) 1.763 5.538 ( 0.000 0.000 -0.929) 0.929 5.538 ( 0.000 0.000 0.929) 0.929 5.729 ( 0.000 0.000 -0.003) 0.003 5.729 ( 0.000 0.000 0.003) 0.003 5.756 ( 0.000 0.000 -12.244) 12.244 5.756 ( 0.000 -0.000 12.244) 12.244 6.043 ( 0.000 0.000 -1.891) 1.891 6.043 ( 0.000 -0.000 1.891) 1.891 6.057 ( 0.000 0.000 -3.784) 3.784 6.057 ( 0.000 -0.000 3.784) 3.784 6.433 ( 0.000 -0.000 -1.484) 1.484 6.433 ( 0.000 0.000 1.484) 1.484 6.483 ( 0.000 0.000 -14.469) 14.469 6.483 ( 0.000 0.000 14.469) 14.469 6.723 ( 0.000 0.000 -12.463) 12.463 6.723 ( 0.000 0.000 12.463) 12.463 6.852 ( 0.000 -0.000 -4.705) 4.705 6.852 ( 0.000 0.000 4.705) 4.705 7.078 ( 0.000 0.000 -12.135) 12.135 7.078 ( 0.000 0.000 12.135) 12.135 7.185 ( 0.000 0.000 -8.491) 8.491 7.185 ( 0.000 -0.000 8.491) 8.491 7.186 ( 0.000 -0.000 -7.101) 7.101 7.186 ( 0.000 0.000 7.101) 7.101 7.448 ( 0.000 0.000 -11.854) 11.854 7.448 ( 0.000 0.000 11.854) 11.854 7.687 ( 0.000 0.000 -1.254) 1.254 7.687 ( 0.000 -0.000 1.254) 1.254 7.743 ( 0.000 0.000 -3.878) 3.878 7.743 ( 0.000 0.000 3.878) 3.878 7.937 ( 0.000 0.000 -1.808) 1.808 7.937 ( 0.000 0.000 1.808) 1.808 8.005 ( 0.000 0.000 -2.892) 2.892 8.005 ( 0.000 0.000 2.892) 2.892 8.257 ( 0.000 0.000 -1.995) 1.995 8.257 ( 0.000 0.000 1.995) 1.995 8.317 ( 0.000 0.000 -1.983) 1.983 8.317 ( 0.000 0.000 1.983) 1.983 8.647 ( 0.000 0.000 -1.142) 1.142 8.647 ( 0.000 0.000 1.142) 1.142 8.701 ( 0.000 0.000 -8.021) 8.021 8.701 ( 0.000 0.000 8.021) 8.021 9.045 ( 0.000 0.000 -2.760) 2.760 9.045 ( 0.000 0.000 2.760) 2.760 9.190 ( 0.000 0.000 -0.429) 0.429 9.190 ( 0.000 0.000 0.429) 0.429 9.395 ( 0.000 0.000 -2.626) 2.626 9.395 ( 0.000 0.000 2.626) 2.626 9.485 ( 0.000 0.000 -0.817) 0.817 9.485 ( 0.000 0.000 0.817) 0.817 9.681 ( 0.000 0.000 -2.348) 2.348 9.681 ( 0.000 0.000 2.348) 2.348 9.777 ( 0.000 0.000 -5.147) 5.147 9.777 ( 0.000 0.000 5.147) 5.147 9.869 ( 0.000 0.000 -3.431) 3.431 9.869 ( 0.000 0.000 3.431) 3.431 9.938 ( 0.000 0.000 -7.396) 7.396 9.938 ( 0.000 -0.000 7.396) 7.396 10.298 ( 0.000 0.000 -0.652) 0.652 10.298 ( 0.000 0.000 0.652) 0.652 10.370 ( 0.000 -0.000 -0.555) 0.555 10.370 ( 0.000 0.000 0.555) 0.555 10.555 ( 0.000 0.000 -2.756) 2.756 10.555 ( 0.000 0.000 2.756) 2.756 10.588 ( 0.000 0.000 -1.847) 1.847 10.588 ( 0.000 -0.000 1.847) 1.847 10.945 ( 0.000 0.000 -8.098) 8.098 10.945 ( 0.000 0.000 8.098) 8.098 11.098 ( 0.000 0.000 -10.033) 10.033 11.098 ( 0.000 0.000 10.033) 10.033 11.421 ( 0.000 0.000 -9.176) 9.176 11.421 ( 0.000 0.000 9.176) 9.176 11.565 ( 0.000 0.000 -7.521) 7.521 11.565 ( 0.000 0.000 7.521) 7.521 11.995 ( 0.000 0.000 -2.352) 2.352 11.995 ( 0.000 -0.000 2.352) 2.352 11.996 ( 0.000 0.000 -7.911) 7.911 11.996 ( 0.000 -0.000 7.911) 7.911 12.465 ( 0.000 0.000 -4.317) 4.317 12.465 ( 0.000 -0.000 4.317) 4.317 12.468 ( 0.000 -0.000 -3.666) 3.666 12.468 ( 0.000 0.000 3.666) 3.666 12.610 ( 0.000 0.000 -0.564) 0.564 12.610 ( 0.000 0.000 0.564) 0.564 12.631 ( 0.000 0.000 -5.224) 5.224 12.631 ( 0.000 0.000 5.224) 5.224 12.899 ( 0.000 -0.000 -2.987) 2.987 12.899 ( 0.000 0.000 2.987) 2.987 12.933 ( 0.000 0.000 -1.531) 1.531 12.933 ( 0.000 0.000 1.531) 1.531 13.075 ( 0.000 0.000 -0.798) 0.798 13.075 ( 0.000 0.000 0.798) 0.798 13.341 ( 0.000 -0.000 -6.377) 6.377 13.341 ( 0.000 0.000 6.377) 6.377 15.207 ( 0.000 0.000 -4.082) 4.082 15.207 ( 0.000 -0.000 4.082) 4.082 15.230 ( 0.000 0.000 -1.623) 1.623 15.230 ( 0.000 0.000 1.623) 1.623 15.997 ( 0.000 0.000 -1.138) 1.138 15.997 ( 0.000 0.000 1.138) 1.138 16.034 ( 0.000 0.000 -0.289) 0.289 16.034 ( 0.000 0.000 0.289) 0.289 16.246 ( 0.000 0.000 -5.414) 5.414 16.246 ( 0.000 0.000 5.414) 5.414 16.337 ( 0.000 0.000 -4.507) 4.507 16.337 ( 0.000 0.000 4.507) 4.507 16.745 ( 0.000 -0.000 -4.909) 4.909 16.745 ( 0.000 0.000 4.909) 4.909 16.763 ( 0.000 0.000 -4.314) 4.314 16.763 ( 0.000 -0.000 4.314) 4.314 17.113 ( 0.000 0.000 -0.733) 0.733 17.113 ( 0.000 0.000 0.733) 0.733 17.145 ( 0.000 0.000 -1.886) 1.886 17.145 ( 0.000 0.000 1.886) 1.886 17.343 ( 0.000 0.000 -1.476) 1.476 17.343 ( 0.000 0.000 1.476) 1.476 17.361 ( 0.000 -0.000 -6.967) 6.967 17.361 ( 0.000 -0.000 6.967) 6.967 17.768 ( 0.000 -0.000 -9.324) 9.324 17.768 ( 0.000 0.000 9.324) 9.324 17.907 ( 0.000 -0.000 -2.924) 2.924 17.907 ( 0.000 0.000 2.924) 2.924 18.220 ( 0.000 0.000 -1.504) 1.504 18.220 ( 0.000 0.000 1.504) 1.504 18.350 ( 0.000 0.000 -2.613) 2.613 18.350 ( 0.000 -0.000 2.613) 2.613 18.848 ( 0.000 0.000 -3.125) 3.125 18.848 ( 0.000 -0.000 3.125) 3.125 18.871 ( 0.000 0.000 -4.297) 4.297 18.871 ( 0.000 -0.000 4.297) 4.297 19.279 ( 0.000 0.000 -5.705) 5.705 19.279 ( 0.000 0.000 5.705) 5.705 19.295 ( 0.000 0.000 -2.113) 2.113 19.295 ( 0.000 0.000 2.113) 2.113 27.177 ( 0.000 0.000 -0.125) 0.125 27.177 ( 0.000 0.000 0.125) 0.125 27.338 ( 0.000 0.000 -2.817) 2.817 27.338 ( 0.000 0.000 2.817) 2.817 27.791 ( 0.000 0.000 -3.006) 3.006 27.791 ( 0.000 0.000 3.006) 3.006 27.930 ( 0.000 0.000 -1.229) 1.229 27.930 ( 0.000 0.000 1.229) 1.229 28.133 ( 0.000 0.000 -0.506) 0.506 28.133 ( 0.000 0.000 0.506) 0.506 28.526 ( 0.000 0.000 -3.220) 3.220 28.526 ( 0.000 0.000 3.220) 3.220 29.131 ( 0.000 -0.000 -1.134) 1.134 29.131 ( 0.000 0.000 1.134) 1.134 29.142 ( 0.000 0.000 -5.997) 5.997 29.142 ( 0.000 -0.000 5.997) 5.997 29.245 ( 0.000 0.000 -0.186) 0.186 29.245 ( 0.000 0.000 0.186) 0.186 29.526 ( 0.000 0.000 -0.516) 0.516 29.526 ( 0.000 0.000 0.516) 0.516 30.081 ( 0.000 0.000 -0.977) 0.977 30.081 ( 0.000 0.000 0.977) 0.977 30.294 ( 0.000 0.000 -6.089) 6.089 30.294 ( 0.000 0.000 6.089) 6.089 30.751 ( 0.000 0.000 -4.559) 4.559 30.751 ( 0.000 0.000 4.559) 4.559 30.920 ( 0.000 0.000 -0.888) 0.888 30.920 ( 0.000 0.000 0.888) 0.888 31.292 ( 0.000 0.000 -1.587) 1.587 31.292 ( 0.000 0.000 1.587) 1.587 31.617 ( 0.000 0.000 -1.032) 1.032 31.617 ( 0.000 0.000 1.032) 1.032 31.815 ( 0.000 0.000 -5.835) 5.835 31.815 ( 0.000 0.000 5.835) 5.835 31.930 ( 0.000 0.000 -4.360) 4.360 31.930 ( 0.000 0.000 4.360) 4.360 32.103 ( 0.000 0.000 -6.539) 6.539 32.103 ( 0.000 0.000 6.539) 6.539 32.188 ( 0.000 0.000 -3.595) 3.595 32.188 ( 0.000 0.000 3.595) 3.595 33.686 ( 0.000 0.000 -10.385) 10.385 33.686 ( 0.000 0.000 10.385) 10.385 34.294 ( 0.000 0.000 -17.319) 17.319 34.294 ( 0.000 0.000 17.319) 17.319 36.375 ( 0.000 0.000 -11.971) 11.971 36.375 ( 0.000 0.000 11.971) 11.971 36.578 ( 0.000 0.000 -8.886) 8.886 36.578 ( 0.000 0.000 8.886) 8.886 ======================= Grid point 137 (46/48) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 8.223 0.000 -7.595) 11.193 1.538 ( 8.223 0.000 7.595) 11.193 2.071 ( -7.726 0.000 -7.414) 10.708 2.071 ( -7.726 0.000 7.414) 10.708 2.271 ( -20.038 0.000 -19.952) 28.277 2.271 ( -20.038 0.000 19.952) 28.277 2.580 ( 2.355 0.000 -7.683) 8.036 2.580 ( 2.355 0.000 7.683) 8.036 2.732 ( -1.139 0.000 -6.872) 6.966 2.732 ( -1.139 0.000 6.872) 6.966 2.771 ( 4.563 -0.000 -6.263) 7.749 2.771 ( 4.563 -0.000 6.263) 7.749 3.286 ( -0.585 0.000 -10.777) 10.793 3.286 ( -0.585 -0.000 10.777) 10.793 3.327 ( 9.062 0.000 -14.359) 16.979 3.327 ( 9.062 0.000 14.359) 16.979 3.759 ( -4.978 0.000 -6.524) 8.206 3.759 ( -4.978 0.000 6.524) 8.206 3.876 ( -2.295 -0.000 -13.786) 13.976 3.876 ( -2.295 -0.000 13.786) 13.976 4.062 ( 3.466 0.000 -8.952) 9.600 4.062 ( 3.466 -0.000 8.952) 9.600 4.107 ( 5.323 -0.000 -8.910) 10.379 4.107 ( 5.323 0.000 8.910) 10.379 4.538 ( 4.535 -0.000 -6.892) 8.250 4.538 ( 4.535 0.000 6.892) 8.250 4.582 ( -3.438 0.000 -17.729) 18.059 4.582 ( -3.438 0.000 17.729) 18.059 4.929 ( -1.033 -0.000 -7.552) 7.622 4.929 ( -1.033 0.000 7.552) 7.622 4.979 ( 2.171 -0.000 -5.839) 6.229 4.979 ( 2.171 0.000 5.839) 6.229 5.291 ( -17.574 0.000 -5.499) 18.414 5.291 ( -17.574 0.000 5.499) 18.414 5.349 ( -7.688 -0.000 -9.287) 12.056 5.349 ( -7.688 0.000 9.287) 12.056 5.560 ( -11.295 0.000 -8.886) 14.371 5.560 ( -11.295 0.000 8.886) 14.371 5.685 ( -1.512 0.000 -8.943) 9.070 5.685 ( -1.512 0.000 8.943) 9.070 6.034 ( -5.885 0.000 -6.206) 8.553 6.034 ( -5.885 0.000 6.206) 8.553 6.082 ( 0.049 -0.000 -10.398) 10.398 6.082 ( 0.049 -0.000 10.398) 10.398 6.413 ( -1.282 0.000 -7.180) 7.294 6.413 ( -1.282 -0.000 7.180) 7.294 6.444 ( -2.457 0.000 -11.014) 11.285 6.444 ( -2.457 -0.000 11.014) 11.285 6.705 ( -7.280 0.000 -10.805) 13.028 6.705 ( -7.280 0.000 10.805) 13.028 6.809 ( -0.949 0.000 -3.779) 3.896 6.809 ( -0.949 0.000 3.779) 3.896 6.911 ( 1.277 0.000 -8.114) 8.214 6.911 ( 1.277 -0.000 8.114) 8.214 7.131 ( -5.066 -0.000 -5.018) 7.130 7.131 ( -5.066 0.000 5.018) 7.130 7.374 ( 8.987 0.000 -7.028) 11.409 7.374 ( 8.987 0.000 7.028) 11.409 7.457 ( -3.797 0.000 -7.654) 8.544 7.457 ( -3.797 -0.000 7.654) 8.544 7.761 ( 7.971 0.000 -9.779) 12.616 7.761 ( 7.971 0.000 9.779) 12.616 7.835 ( 3.823 0.000 -4.552) 5.944 7.835 ( 3.823 0.000 4.552) 5.944 8.033 ( 9.924 0.000 -7.443) 12.405 8.033 ( 9.924 0.000 7.443) 12.405 8.100 ( 8.826 -0.000 -6.319) 10.855 8.100 ( 8.826 0.000 6.319) 10.855 8.312 ( 6.712 0.000 -7.011) 9.706 8.312 ( 6.712 0.000 7.011) 9.706 8.403 ( 8.425 0.000 -4.686) 9.640 8.403 ( 8.425 0.000 4.686) 9.640 8.728 ( 5.067 0.000 -3.718) 6.284 8.728 ( 5.067 0.000 3.718) 6.284 8.738 ( 1.590 -0.000 -7.484) 7.651 8.738 ( 1.590 -0.000 7.484) 7.651 9.108 ( 6.045 0.000 -2.418) 6.510 9.108 ( 6.045 0.000 2.418) 6.510 9.209 ( -0.970 0.000 -4.975) 5.069 9.209 ( -0.970 0.000 4.975) 5.069 9.408 ( -6.927 0.000 -3.073) 7.578 9.408 ( -6.927 -0.000 3.073) 7.578 9.439 ( 6.687 0.000 -4.756) 8.206 9.439 ( 6.687 0.000 4.756) 8.206 9.666 ( -0.891 -0.000 -4.430) 4.519 9.666 ( -0.891 0.000 4.430) 4.519 9.721 ( -1.699 0.000 -3.693) 4.065 9.721 ( -1.699 0.000 3.693) 4.065 9.950 ( 4.040 0.000 -6.176) 7.380 9.950 ( 4.040 0.000 6.176) 7.380 10.011 ( 6.104 0.000 -6.653) 9.029 10.011 ( 6.104 0.000 6.653) 9.029 10.236 ( -4.501 0.000 -4.443) 6.324 10.236 ( -4.501 0.000 4.443) 6.324 10.321 ( -3.673 0.000 -3.082) 4.795 10.321 ( -3.673 0.000 3.082) 4.795 10.541 ( 0.083 0.000 -4.959) 4.959 10.541 ( 0.083 0.000 4.959) 4.959 10.587 ( 2.067 0.000 -5.963) 6.311 10.587 ( 2.067 -0.000 5.963) 6.311 10.938 ( -1.353 0.000 -9.779) 9.873 10.938 ( -1.353 0.000 9.779) 9.873 11.089 ( -2.390 0.000 -10.387) 10.658 11.089 ( -2.390 0.000 10.387) 10.658 11.442 ( 1.638 0.000 -9.829) 9.965 11.442 ( 1.638 0.000 9.829) 9.965 11.563 ( -0.676 0.000 -6.659) 6.694 11.563 ( -0.676 0.000 6.659) 6.694 11.977 ( -1.895 -0.000 -8.804) 9.006 11.977 ( -1.895 0.000 8.804) 9.006 11.986 ( -0.861 0.000 -2.589) 2.729 11.986 ( -0.861 0.000 2.589) 2.729 12.347 ( -7.149 0.000 -5.417) 8.970 12.347 ( -7.149 0.000 5.417) 8.970 12.371 ( -7.423 -0.000 -3.373) 8.153 12.371 ( -7.423 -0.000 3.373) 8.153 12.617 ( 1.471 0.000 -1.882) 2.389 12.617 ( 1.471 0.000 1.882) 2.389 12.738 ( 5.297 0.000 -7.540) 9.215 12.738 ( 5.297 0.000 7.540) 9.215 12.924 ( -0.832 0.000 -2.560) 2.692 12.924 ( -0.832 0.000 2.560) 2.692 12.947 ( 0.662 0.000 -7.034) 7.065 12.947 ( 0.662 0.000 7.034) 7.065 13.167 ( 9.913 0.000 -6.160) 11.671 13.167 ( 9.913 0.000 6.160) 11.671 13.384 ( 4.067 -0.000 -9.383) 10.227 13.384 ( 4.067 0.000 9.383) 10.227 15.169 ( -3.712 0.000 -4.109) 5.537 15.169 ( -3.712 0.000 4.109) 5.537 15.187 ( -3.983 0.000 -3.314) 5.181 15.187 ( -3.983 0.000 3.314) 5.181 15.912 ( -5.311 0.000 -6.400) 8.317 15.912 ( -5.311 0.000 6.400) 8.317 15.981 ( -4.149 0.000 -1.674) 4.474 15.981 ( -4.149 0.000 1.674) 4.474 16.292 ( 1.076 0.000 -7.448) 7.525 16.292 ( 1.076 0.000 7.448) 7.525 16.392 ( 3.892 0.000 -4.453) 5.914 16.392 ( 3.892 0.000 4.453) 5.914 16.640 ( -9.669 -0.000 -7.926) 12.503 16.640 ( -9.669 0.000 7.926) 12.503 16.741 ( -1.224 0.000 -6.914) 7.022 16.741 ( -1.224 0.000 6.914) 7.022 17.088 ( -4.793 0.000 -7.354) 8.778 17.088 ( -4.793 0.000 7.354) 8.778 17.112 ( 0.314 0.000 -6.658) 6.665 17.112 ( 0.314 0.000 6.658) 6.665 17.314 ( -3.080 0.000 -6.544) 7.232 17.314 ( -3.080 0.000 6.544) 7.232 17.320 ( -1.393 -0.000 -4.393) 4.608 17.320 ( -1.393 -0.000 4.393) 4.608 17.774 ( -0.022 0.000 -7.769) 7.769 17.774 ( -0.022 0.000 7.769) 7.769 17.886 ( -2.154 0.000 -5.372) 5.788 17.886 ( -2.154 0.000 5.372) 5.788 18.292 ( 6.100 0.000 -4.674) 7.685 18.292 ( 6.100 0.000 4.674) 7.685 18.361 ( 1.270 0.000 -6.110) 6.241 18.361 ( 1.270 -0.000 6.110) 6.241 18.858 ( -0.957 0.000 -4.406) 4.508 18.858 ( -0.957 0.000 4.406) 4.508 18.879 ( 2.084 -0.000 -4.681) 5.124 18.879 ( 2.084 0.000 4.681) 5.124 19.308 ( 2.796 0.000 -5.188) 5.894 19.308 ( 2.796 0.000 5.188) 5.894 19.335 ( 3.282 0.000 -4.320) 5.425 19.335 ( 3.282 0.000 4.320) 5.425 27.194 ( 1.559 0.000 -1.901) 2.459 27.194 ( 1.559 0.000 1.901) 2.459 27.319 ( -1.761 0.000 -2.834) 3.337 27.319 ( -1.761 0.000 2.834) 3.337 27.850 ( 5.562 0.000 -3.518) 6.581 27.850 ( 5.562 0.000 3.518) 6.581 27.944 ( 1.494 0.000 -2.206) 2.664 27.944 ( 1.494 0.000 2.206) 2.664 28.190 ( 5.373 0.000 -4.710) 7.145 28.190 ( 5.373 0.000 4.710) 7.145 28.495 ( -2.820 0.000 -3.090) 4.183 28.495 ( -2.820 0.000 3.090) 4.183 29.063 ( -4.899 0.000 -1.672) 5.177 29.063 ( -4.899 0.000 1.672) 5.177 29.119 ( -2.595 0.000 -5.350) 5.946 29.119 ( -2.595 0.000 5.350) 5.946 29.299 ( 3.380 0.000 -2.056) 3.956 29.299 ( 3.380 0.000 2.056) 3.956 29.472 ( -4.593 0.000 -1.201) 4.747 29.472 ( -4.593 0.000 1.201) 4.747 30.070 ( -0.789 0.000 -1.915) 2.071 30.070 ( -0.789 0.000 1.915) 2.071 30.230 ( -5.280 0.000 -6.129) 8.090 30.230 ( -5.280 0.000 6.129) 8.090 30.852 ( 8.712 0.000 -6.413) 10.818 30.852 ( 8.712 0.000 6.413) 10.818 30.986 ( 5.207 0.000 -5.285) 7.419 30.986 ( 5.207 0.000 5.285) 7.419 31.321 ( 3.248 0.000 -2.046) 3.839 31.321 ( 3.248 0.000 2.046) 3.839 31.614 ( -0.398 0.000 -2.276) 2.311 31.614 ( -0.398 0.000 2.276) 2.311 31.829 ( 1.322 0.000 -5.304) 5.466 31.829 ( 1.322 0.000 5.304) 5.466 31.915 ( -1.480 0.000 -3.544) 3.841 31.915 ( -1.480 0.000 3.544) 3.841 32.118 ( 1.317 0.000 -5.829) 5.976 32.118 ( 1.317 0.000 5.829) 5.976 32.165 ( -2.040 0.000 -3.495) 4.047 32.165 ( -2.040 0.000 3.495) 4.047 33.727 ( 4.193 0.000 -11.293) 12.046 33.727 ( 4.193 0.000 11.293) 12.046 34.249 ( -4.375 0.000 -17.101) 17.652 34.249 ( -4.375 0.000 17.101) 17.652 36.366 ( -0.837 0.000 -11.162) 11.193 36.366 ( -0.837 0.000 11.162) 11.193 36.536 ( -3.960 0.000 -8.152) 9.063 36.536 ( -3.960 0.000 8.152) 9.063 ======================= Grid point 141 (47/48) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.880 0.000 -8.461) 8.667 1.620 ( -1.880 0.000 8.461) 8.667 1.822 ( -14.128 0.000 -11.312) 18.099 1.822 ( -14.128 0.000 11.312) 18.099 2.033 ( 1.164 0.000 -11.212) 11.272 2.033 ( 1.164 0.000 11.212) 11.272 2.508 ( -11.258 0.000 -6.545) 13.023 2.508 ( -11.258 0.000 6.545) 13.023 2.888 ( 15.558 0.000 -18.157) 23.911 2.888 ( 15.558 0.000 18.157) 23.911 2.917 ( 10.912 -0.000 -7.469) 13.223 2.917 ( 10.912 0.000 7.469) 13.223 3.260 ( -0.616 0.000 -8.715) 8.737 3.260 ( -0.616 0.000 8.715) 8.737 3.469 ( -0.119 0.000 -17.425) 17.425 3.469 ( -0.119 0.000 17.425) 17.425 3.644 ( -6.243 0.000 -11.084) 12.721 3.644 ( -6.243 0.000 11.084) 12.721 3.792 ( -11.818 -0.000 -7.616) 14.059 3.792 ( -11.818 0.000 7.616) 14.059 4.191 ( 3.035 0.000 -8.686) 9.201 4.191 ( 3.035 -0.000 8.686) 9.201 4.196 ( 7.883 -0.000 -4.860) 9.261 4.196 ( 7.883 -0.000 4.860) 9.261 4.441 ( -4.560 -0.000 -15.509) 16.165 4.441 ( -4.560 0.000 15.509) 16.165 4.457 ( -3.209 0.000 -1.081) 3.386 4.457 ( -3.209 -0.000 1.081) 3.386 4.785 ( -8.321 0.000 -3.595) 9.064 4.785 ( -8.321 0.000 3.595) 9.064 4.964 ( -3.926 0.000 -6.580) 7.662 4.964 ( -3.926 -0.000 6.580) 7.662 5.187 ( -6.875 0.000 -10.779) 12.785 5.187 ( -6.875 -0.000 10.779) 12.785 5.259 ( 6.605 0.000 -10.295) 12.231 5.259 ( 6.605 0.000 10.295) 12.232 5.451 ( -2.877 0.000 -10.633) 11.016 5.451 ( -2.877 0.000 10.633) 11.016 5.608 ( -12.058 0.000 -4.652) 12.924 5.608 ( -12.058 0.000 4.652) 12.924 5.822 ( -6.334 0.000 -3.636) 7.303 5.822 ( -6.334 0.000 3.636) 7.303 6.020 ( -5.200 0.000 -10.874) 12.053 6.020 ( -5.200 0.000 10.874) 12.053 6.436 ( 3.922 -0.000 -5.454) 6.718 6.436 ( 3.922 -0.000 5.454) 6.718 6.450 ( 2.745 0.000 -6.668) 7.211 6.450 ( 2.745 0.000 6.668) 7.211 6.617 ( -0.876 0.000 -3.941) 4.037 6.617 ( -0.876 0.000 3.941) 4.037 6.777 ( -4.790 0.000 -4.765) 6.757 6.777 ( -4.790 0.000 4.765) 6.757 7.039 ( 7.968 0.000 -4.455) 9.129 7.039 ( 7.968 -0.000 4.455) 9.129 7.066 ( 0.745 0.000 -10.205) 10.232 7.066 ( 0.745 0.000 10.205) 10.232 7.418 ( 2.207 0.000 -4.527) 5.036 7.418 ( 2.207 0.000 4.527) 5.036 7.495 ( 3.733 0.000 -3.816) 5.339 7.495 ( 3.733 0.000 3.816) 5.339 7.873 ( 0.736 0.000 -2.386) 2.497 7.873 ( 0.736 0.000 2.386) 2.497 7.890 ( 3.863 0.000 -12.115) 12.716 7.890 ( 3.863 0.000 12.115) 12.716 8.166 ( 2.770 0.000 -5.664) 6.305 8.166 ( 2.770 0.000 5.664) 6.305 8.205 ( 1.063 0.000 -4.843) 4.958 8.205 ( 1.063 0.000 4.843) 4.958 8.498 ( 7.879 0.000 -10.742) 13.322 8.498 ( 7.879 0.000 10.742) 13.322 8.591 ( 5.077 0.000 -8.427) 9.838 8.591 ( 5.077 -0.000 8.427) 9.838 8.732 ( 0.727 0.000 -10.783) 10.808 8.732 ( 0.727 0.000 10.783) 10.808 8.761 ( 1.666 -0.000 -4.205) 4.522 8.761 ( 1.666 -0.000 4.205) 4.522 9.133 ( -6.726 0.000 -6.858) 9.606 9.133 ( -6.726 0.000 6.858) 9.606 9.136 ( -5.353 0.000 -8.465) 10.016 9.136 ( -5.353 -0.000 8.465) 10.016 9.374 ( 6.645 0.000 -5.572) 8.672 9.374 ( 6.645 0.000 5.572) 8.672 9.574 ( 2.716 0.000 -6.563) 7.103 9.574 ( 2.716 0.000 6.563) 7.103 9.679 ( 3.119 0.000 -7.134) 7.786 9.679 ( 3.119 0.000 7.134) 7.786 9.759 ( 4.543 0.000 -9.008) 10.089 9.759 ( 4.543 0.000 9.008) 10.089 9.984 ( 0.313 0.000 -7.032) 7.039 9.984 ( 0.313 0.000 7.032) 7.039 10.075 ( -0.164 0.000 -3.166) 3.170 10.075 ( -0.164 0.000 3.166) 3.170 10.276 ( 9.708 0.000 -5.864) 11.341 10.276 ( 9.708 -0.000 5.864) 11.341 10.329 ( 5.430 0.000 -2.472) 5.966 10.329 ( 5.430 0.000 2.472) 5.966 10.587 ( 4.265 0.000 -10.069) 10.935 10.587 ( 4.265 -0.000 10.069) 10.935 10.661 ( 3.796 0.000 -7.989) 8.845 10.661 ( 3.796 -0.000 7.989) 8.845 10.879 ( -4.361 0.000 -12.270) 13.022 10.879 ( -4.361 0.000 12.270) 13.022 10.979 ( -8.505 0.000 -12.022) 14.726 10.979 ( -8.505 0.000 12.022) 14.726 11.462 ( 0.251 0.000 -9.590) 9.593 11.462 ( 0.251 0.000 9.590) 9.593 11.526 ( -3.082 -0.000 -5.650) 6.436 11.526 ( -3.082 0.000 5.650) 6.436 11.926 ( -2.946 -0.000 -8.980) 9.451 11.926 ( -2.946 0.000 8.980) 9.451 11.951 ( -3.084 0.000 -4.384) 5.360 11.951 ( -3.084 0.000 4.384) 5.360 12.253 ( -2.329 0.000 -6.882) 7.265 12.253 ( -2.329 0.000 6.882) 7.265 12.255 ( -3.326 -0.000 -3.978) 5.185 12.255 ( -3.326 -0.000 3.978) 5.185 12.659 ( 2.677 0.000 -2.861) 3.919 12.659 ( 2.677 0.000 2.861) 3.919 12.775 ( -1.198 0.000 -3.984) 4.160 12.775 ( -1.198 0.000 3.984) 4.160 12.906 ( -0.773 0.000 -4.656) 4.719 12.906 ( -0.773 -0.000 4.656) 4.719 12.930 ( -1.494 0.000 -2.992) 3.344 12.930 ( -1.494 0.000 2.992) 3.344 13.364 ( 8.511 0.000 -6.627) 10.787 13.364 ( 8.511 0.000 6.627) 10.787 13.465 ( 3.082 0.000 -11.177) 11.594 13.465 ( 3.082 0.000 11.177) 11.594 15.091 ( -3.257 0.000 -3.317) 4.649 15.091 ( -3.257 0.000 3.317) 4.649 15.106 ( -3.562 0.000 -5.206) 6.308 15.106 ( -3.562 0.000 5.206) 6.308 15.849 ( -1.349 0.000 -12.346) 12.420 15.849 ( -1.349 0.000 12.346) 12.420 15.900 ( -3.857 0.000 -4.077) 5.612 15.900 ( -3.857 -0.000 4.077) 5.612 16.251 ( -3.401 0.000 -4.804) 5.886 16.251 ( -3.401 -0.000 4.804) 5.886 16.355 ( -8.331 0.000 -9.857) 12.906 16.355 ( -8.331 0.000 9.857) 12.906 16.559 ( 4.219 0.000 -5.191) 6.690 16.559 ( 4.219 0.000 5.191) 6.690 16.738 ( -0.323 0.000 -7.704) 7.711 16.738 ( -0.323 0.000 7.704) 7.711 17.010 ( -1.928 0.000 -6.756) 7.026 17.010 ( -1.928 0.000 6.756) 7.026 17.113 ( -1.400 0.000 -6.371) 6.523 17.113 ( -1.400 0.000 6.371) 6.523 17.272 ( -0.798 0.000 -6.195) 6.246 17.272 ( -0.798 0.000 6.195) 6.246 17.302 ( -0.705 0.000 -4.271) 4.329 17.302 ( -0.705 0.000 4.271) 4.329 17.767 ( -0.156 0.000 -7.093) 7.095 17.767 ( -0.156 0.000 7.093) 7.095 17.832 ( -3.020 -0.000 -6.989) 7.614 17.832 ( -3.020 0.000 6.989) 7.614 18.398 ( 2.268 -0.000 -6.716) 7.089 18.398 ( 2.268 -0.000 6.716) 7.089 18.399 ( 3.915 -0.000 -5.601) 6.834 18.399 ( 3.915 0.000 5.601) 6.834 18.852 ( 0.569 0.000 -2.505) 2.569 18.852 ( 0.569 0.000 2.505) 2.569 18.898 ( -0.257 0.000 -5.184) 5.191 18.898 ( -0.257 0.000 5.184) 5.191 19.368 ( 2.738 0.000 -5.943) 6.543 19.368 ( 2.738 0.000 5.943) 6.543 19.390 ( 1.849 0.000 -5.696) 5.989 19.390 ( 1.849 0.000 5.696) 5.989 27.225 ( 1.465 0.000 -3.027) 3.363 27.225 ( 1.465 0.000 3.027) 3.363 27.282 ( -1.854 0.000 -3.258) 3.749 27.282 ( -1.854 0.000 3.258) 3.749 27.967 ( 5.099 0.000 -4.662) 6.909 27.967 ( 5.099 0.000 4.662) 6.909 27.983 ( 2.273 0.000 -4.224) 4.797 27.983 ( 2.273 0.000 4.224) 4.797 28.311 ( 6.160 0.000 -6.004) 8.602 28.311 ( 6.160 0.000 6.004) 8.602 28.440 ( -2.338 0.000 -1.393) 2.721 28.440 ( -2.338 0.000 1.393) 2.721 28.977 ( -3.427 0.000 -2.105) 4.022 28.977 ( -3.427 0.000 2.105) 4.022 29.037 ( -5.343 0.000 -3.589) 6.437 29.037 ( -5.343 0.000 3.589) 6.437 29.346 ( 1.504 0.000 -3.624) 3.924 29.346 ( 1.504 0.000 3.624) 3.924 29.395 ( -2.633 0.000 -3.219) 4.159 29.395 ( -2.633 0.000 3.219) 4.159 30.061 ( 0.035 0.000 -2.974) 2.974 30.061 ( 0.035 0.000 2.974) 2.974 30.133 ( -4.111 0.000 -5.263) 6.679 30.133 ( -4.111 0.000 5.263) 6.679 31.013 ( 6.469 0.000 -7.671) 10.034 31.013 ( 6.469 0.000 7.671) 10.034 31.068 ( 2.669 0.000 -6.925) 7.421 31.068 ( 2.669 0.000 6.925) 7.421 31.421 ( 6.477 0.000 -3.977) 7.601 31.421 ( 6.477 0.000 3.977) 7.601 31.596 ( -1.635 0.000 -3.619) 3.971 31.596 ( -1.635 0.000 3.619) 3.971 31.854 ( 0.745 0.000 -3.947) 4.017 31.854 ( 0.745 0.000 3.947) 4.017 31.880 ( -1.785 0.000 -1.888) 2.598 31.880 ( -1.785 0.000 1.888) 2.598 32.130 ( -0.867 0.000 -4.366) 4.451 32.130 ( -0.867 0.000 4.366) 4.451 32.140 ( 0.595 0.000 -5.048) 5.083 32.140 ( 0.595 0.000 5.048) 5.083 33.840 ( 7.123 0.000 -12.901) 14.737 33.840 ( 7.123 0.000 12.901) 14.737 34.136 ( -6.950 0.000 -16.165) 17.595 34.136 ( -6.950 0.000 16.165) 17.595 36.353 ( -0.135 0.000 -8.656) 8.657 36.353 ( -0.135 0.000 8.656) 8.657 36.445 ( -4.723 0.000 -6.161) 7.762 36.445 ( -4.723 0.000 6.161) 7.762 ======================= Grid point 145 (48/48) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -2.210 -4.838 -22.442) 23.063 1.629 ( 2.210 4.838 -22.442) 23.063 1.629 ( -2.210 -4.838 22.442) 23.063 1.629 ( 2.210 4.838 22.442) 23.063 2.220 ( -13.659 -1.435 -12.038) 18.263 2.220 ( 13.659 1.435 -12.038) 18.263 2.220 ( -13.659 -1.435 12.038) 18.263 2.220 ( 13.659 1.435 12.038) 18.263 3.116 ( -0.234 -5.964 -11.737) 13.168 3.116 ( 0.234 5.964 -11.737) 13.168 3.116 ( -0.234 -5.964 11.737) 13.168 3.116 ( 0.234 5.964 11.737) 13.168 3.333 ( -8.396 -1.593 -6.299) 10.616 3.333 ( 8.396 1.593 -6.299) 10.616 3.333 ( -8.396 -1.593 6.299) 10.616 3.333 ( 8.396 1.593 6.299) 10.616 3.534 ( -0.715 -9.972 -7.539) 12.522 3.534 ( 0.715 9.972 -7.539) 12.522 3.534 ( -0.715 -9.972 7.539) 12.522 3.534 ( 0.715 9.972 7.539) 12.522 4.260 ( -0.079 -4.678 -7.651) 8.968 4.260 ( 0.079 4.678 -7.651) 8.968 4.260 ( -0.079 -4.678 7.651) 8.968 4.260 ( 0.079 4.678 7.651) 8.968 4.454 ( -0.696 -8.739 -5.209) 10.197 4.454 ( -0.696 -8.739 5.209) 10.197 4.454 ( 0.696 8.739 -5.209) 10.197 4.454 ( 0.696 8.739 5.209) 10.197 4.824 ( -9.243 -2.588 -6.695) 11.703 4.824 ( 9.243 2.588 -6.695) 11.703 4.824 ( -9.243 -2.588 6.695) 11.703 4.824 ( 9.243 2.588 6.695) 11.703 5.199 ( -6.251 -7.143 -8.660) 12.849 5.199 ( 6.251 7.143 -8.660) 12.849 5.199 ( -6.251 -7.143 8.660) 12.849 5.199 ( 6.251 7.143 8.660) 12.849 5.409 ( -0.000 -4.339 -13.336) 14.024 5.409 ( 0.000 4.339 -13.336) 14.024 5.409 ( -0.000 -4.339 13.336) 14.024 5.409 ( 0.000 4.339 13.336) 14.024 5.895 ( -5.619 -2.370 -3.393) 6.979 5.895 ( -5.619 -2.370 3.393) 6.979 5.895 ( 5.619 2.370 -3.393) 6.979 5.895 ( 5.619 2.370 3.393) 6.979 6.493 ( -0.000 -1.343 -8.894) 8.995 6.493 ( 0.000 1.343 -8.894) 8.995 6.493 ( -0.000 -1.343 8.894) 8.995 6.493 ( 0.000 1.343 8.894) 8.995 6.655 ( -4.396 -1.023 -2.513) 5.166 6.655 ( 4.396 1.023 -2.513) 5.166 6.655 ( -4.396 -1.023 2.513) 5.166 6.655 ( 4.396 1.023 2.513) 5.166 7.116 ( -0.996 -0.107 -10.070) 10.120 7.116 ( 0.996 0.107 -10.070) 10.120 7.116 ( -0.996 -0.107 10.070) 10.120 7.116 ( 0.996 0.107 10.070) 10.120 7.507 ( -3.729 -0.005 -4.395) 5.764 7.507 ( 3.729 0.005 -4.395) 5.764 7.507 ( -3.729 -0.005 4.395) 5.764 7.507 ( 3.729 0.005 4.395) 5.764 7.891 ( -1.876 -0.339 -8.028) 8.251 7.891 ( 1.876 0.339 -8.028) 8.251 7.891 ( -1.876 -0.339 8.028) 8.251 7.891 ( 1.876 0.339 8.028) 8.251 8.188 ( -0.254 -1.865 -2.241) 2.926 8.188 ( 0.254 1.865 -2.241) 2.926 8.188 ( -0.254 -1.865 2.241) 2.926 8.188 ( 0.254 1.865 2.241) 2.926 8.567 ( -1.857 -0.926 -6.476) 6.800 8.567 ( 1.857 0.926 -6.476) 6.800 8.567 ( -1.857 -0.926 6.476) 6.800 8.567 ( 1.857 0.926 6.476) 6.800 8.801 ( -1.867 -0.212 -9.445) 9.630 8.801 ( 1.867 0.212 -9.445) 9.630 8.801 ( -1.867 -0.212 9.445) 9.630 8.801 ( 1.867 0.212 9.445) 9.630 9.052 ( -0.976 -0.203 -2.691) 2.870 9.052 ( 0.976 0.203 -2.691) 2.870 9.052 ( -0.976 -0.203 2.691) 2.870 9.052 ( 0.976 0.203 2.691) 2.870 9.519 ( -6.249 -0.366 -4.643) 7.794 9.519 ( 6.249 0.366 -4.643) 7.794 9.519 ( -6.249 -0.366 4.643) 7.794 9.519 ( 6.249 0.366 4.643) 7.794 9.769 ( -4.049 -0.206 -12.022) 12.687 9.769 ( 4.049 0.206 -12.022) 12.687 9.769 ( -4.049 -0.206 12.022) 12.687 9.769 ( 4.049 0.206 12.022) 12.687 10.029 ( -3.223 -0.964 -5.169) 6.167 10.029 ( 3.223 0.964 -5.169) 6.167 10.029 ( -3.223 -0.964 5.169) 6.167 10.029 ( 3.223 0.964 5.169) 6.167 10.440 ( -0.001 -5.090 -4.345) 6.692 10.440 ( 0.001 5.090 -4.345) 6.692 10.440 ( -0.001 -5.090 4.345) 6.692 10.440 ( 0.001 5.090 4.345) 6.692 10.658 ( -3.651 -0.002 -6.687) 7.618 10.658 ( 3.651 0.002 -6.687) 7.618 10.658 ( -3.651 -0.002 6.687) 7.618 10.658 ( 3.651 0.002 6.687) 7.618 10.839 ( -1.973 -0.851 -14.286) 14.447 10.839 ( 1.973 0.851 -14.286) 14.447 10.839 ( -1.973 -0.851 14.286) 14.447 10.839 ( 1.973 0.851 14.286) 14.447 11.471 ( -0.758 -1.283 -6.498) 6.667 11.471 ( 0.758 1.283 -6.498) 6.667 11.471 ( -0.758 -1.283 6.498) 6.667 11.471 ( 0.758 1.283 6.498) 6.667 11.899 ( -0.213 -1.825 -5.341) 5.648 11.899 ( 0.213 1.825 -5.341) 5.648 11.899 ( -0.213 -1.825 5.341) 5.648 11.899 ( 0.213 1.825 5.341) 5.648 12.235 ( -0.013 -1.550 -9.155) 9.285 12.235 ( 0.013 1.550 -9.155) 9.285 12.235 ( -0.013 -1.550 9.155) 9.285 12.235 ( 0.013 1.550 9.155) 9.285 12.721 ( -2.937 -0.651 -3.816) 4.860 12.721 ( 2.937 0.651 -3.816) 4.860 12.721 ( -2.937 -0.651 3.816) 4.860 12.721 ( 2.937 0.651 3.816) 4.860 12.905 ( -0.178 -1.603 -3.885) 4.206 12.905 ( 0.178 1.603 -3.885) 4.206 12.905 ( -0.178 -1.603 3.885) 4.206 12.905 ( 0.178 1.603 3.885) 4.206 13.472 ( -1.150 -2.320 -7.359) 7.802 13.472 ( 1.150 2.320 -7.359) 7.802 13.472 ( -1.150 -2.320 7.359) 7.802 13.472 ( 1.150 2.320 7.359) 7.802 15.065 ( -0.489 -0.037 -5.647) 5.668 15.065 ( 0.489 0.037 -5.647) 5.668 15.065 ( -0.489 -0.037 5.647) 5.668 15.065 ( 0.489 0.037 5.647) 5.668 15.847 ( -0.218 -3.525 -12.000) 12.509 15.847 ( 0.218 3.525 -12.000) 12.509 15.847 ( -0.218 -3.525 12.000) 12.509 15.847 ( 0.218 3.525 12.000) 12.509 16.236 ( -1.802 -1.154 -2.415) 3.226 16.236 ( 1.802 1.154 -2.415) 3.226 16.236 ( -1.802 -1.154 2.415) 3.226 16.236 ( 1.802 1.154 2.415) 3.226 16.673 ( -5.448 -0.489 -5.289) 7.609 16.673 ( 5.448 0.489 -5.289) 7.609 16.673 ( -5.448 -0.489 5.289) 7.609 16.673 ( 5.448 0.489 5.289) 7.609 17.044 ( -4.010 -0.430 -4.424) 5.987 17.044 ( 4.010 0.430 -4.424) 5.987 17.044 ( -4.010 -0.430 4.424) 5.987 17.044 ( 4.010 0.430 4.424) 5.987 17.284 ( -0.392 -1.699 -3.796) 4.177 17.284 ( 0.392 1.699 -3.796) 4.177 17.284 ( -0.392 -1.699 3.796) 4.177 17.284 ( 0.392 1.699 3.796) 4.177 17.783 ( -0.273 -5.897 -7.402) 9.468 17.783 ( 0.273 5.897 -7.402) 9.468 17.783 ( -0.273 -5.897 7.402) 9.468 17.783 ( 0.273 5.897 7.402) 9.468 18.430 ( -0.073 -1.629 -5.906) 6.127 18.430 ( 0.073 1.629 -5.906) 6.127 18.430 ( -0.073 -1.629 5.906) 6.127 18.430 ( 0.073 1.629 5.906) 6.127 18.876 ( -0.635 -1.724 -2.939) 3.466 18.876 ( 0.635 1.724 -2.939) 3.466 18.876 ( -0.635 -1.724 2.939) 3.466 18.876 ( 0.635 1.724 2.939) 3.466 19.401 ( -0.128 -1.412 -6.377) 6.533 19.401 ( 0.128 1.412 -6.377) 6.533 19.401 ( -0.128 -1.412 6.377) 6.533 19.401 ( 0.128 1.412 6.377) 6.533 27.251 ( -1.102 -0.247 -3.437) 3.617 27.251 ( 1.102 0.247 -3.437) 3.617 27.251 ( -1.102 -0.247 3.437) 3.617 27.251 ( 1.102 0.247 3.437) 3.617 28.014 ( -0.008 -2.550 -5.388) 5.961 28.014 ( 0.008 2.550 -5.388) 5.961 28.014 ( -0.008 -2.550 5.388) 5.961 28.014 ( 0.008 2.550 5.388) 5.961 28.400 ( -2.140 -0.649 -4.471) 4.999 28.400 ( 2.140 0.649 -4.471) 4.999 28.400 ( -2.140 -0.649 4.471) 4.999 28.400 ( 2.140 0.649 4.471) 4.999 28.956 ( -1.409 -0.514 -2.438) 2.863 28.956 ( 1.409 0.514 -2.438) 2.863 28.956 ( -1.409 -0.514 2.438) 2.863 28.956 ( 1.409 0.514 2.438) 2.863 29.366 ( -0.642 -0.236 -4.053) 4.110 29.366 ( 0.642 0.236 -4.053) 4.110 29.366 ( -0.642 -0.236 4.053) 4.110 29.366 ( 0.642 0.236 4.053) 4.110 30.077 ( -1.521 -0.238 -4.060) 4.342 30.077 ( 1.521 0.238 -4.060) 4.342 30.077 ( -1.521 -0.238 4.060) 4.342 30.077 ( 1.521 0.238 4.060) 4.342 31.085 ( -0.636 -0.652 -7.346) 7.403 31.085 ( 0.636 0.652 -7.346) 7.403 31.085 ( -0.636 -0.652 7.346) 7.403 31.085 ( 0.636 0.652 7.346) 7.403 31.537 ( -4.332 -0.445 -4.372) 6.171 31.537 ( 4.332 0.445 -4.372) 6.171 31.537 ( -4.332 -0.445 4.372) 6.171 31.537 ( 4.332 0.445 4.372) 6.171 31.858 ( -0.154 -0.286 -2.679) 2.699 31.858 ( 0.154 0.286 -2.679) 2.699 31.858 ( -0.154 -0.286 2.679) 2.699 31.858 ( 0.154 0.286 2.679) 2.699 32.136 ( -0.432 -0.573 -5.221) 5.270 32.136 ( 0.432 0.573 -5.221) 5.270 32.136 ( -0.432 -0.573 5.221) 5.270 32.136 ( 0.432 0.573 5.221) 5.270 33.990 ( -7.881 -0.024 -14.523) 16.524 33.990 ( 7.881 0.024 -14.523) 16.524 33.990 ( -7.881 -0.024 14.523) 16.524 33.990 ( 7.881 0.024 14.523) 16.524 36.373 ( -2.349 -0.074 -5.711) 6.176 36.373 ( 2.349 0.074 -5.711) 6.176 36.373 ( -2.349 -0.074 5.711) 6.176 36.373 ( 2.349 0.074 5.711) 6.176 =================== 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 3/31104 10.0 60.694 47.133 53.295 0.000 0.000 0.000 3/31104 20.0 14.221 8.556 10.816 0.000 0.000 0.000 3/31104 30.0 6.561 3.593 5.321 0.000 0.000 0.000 3/31104 40.0 3.965 2.132 3.384 0.000 0.000 0.000 3/31104 50.0 2.796 1.498 2.475 0.000 0.000 0.000 3/31104 60.0 2.161 1.157 1.963 0.000 0.000 0.000 3/31104 70.0 1.768 0.944 1.638 0.000 0.000 0.000 3/31104 80.0 1.502 0.800 1.413 0.000 0.000 0.000 3/31104 90.0 1.310 0.696 1.248 0.000 0.000 0.000 3/31104 100.0 1.165 0.617 1.122 0.000 0.000 0.000 3/31104 110.0 1.051 0.555 1.023 0.000 0.000 0.000 3/31104 120.0 0.958 0.505 0.943 0.000 0.000 0.000 3/31104 130.0 0.882 0.464 0.876 0.000 0.000 0.000 3/31104 140.0 0.818 0.430 0.819 0.000 0.000 0.000 3/31104 150.0 0.763 0.401 0.771 0.000 0.000 0.000 3/31104 160.0 0.716 0.375 0.729 0.000 0.000 0.000 3/31104 170.0 0.674 0.353 0.692 0.000 0.000 0.000 3/31104 180.0 0.638 0.334 0.659 0.000 0.000 0.000 3/31104 190.0 0.606 0.317 0.630 0.000 0.000 0.000 3/31104 200.0 0.577 0.301 0.604 0.000 0.000 0.000 3/31104 210.0 0.551 0.288 0.580 0.000 0.000 0.000 3/31104 220.0 0.527 0.275 0.559 0.000 0.000 0.000 3/31104 230.0 0.506 0.264 0.539 0.000 0.000 0.000 3/31104 240.0 0.487 0.253 0.521 0.000 0.000 0.000 3/31104 250.0 0.469 0.244 0.505 0.000 0.000 0.000 3/31104 260.0 0.452 0.235 0.490 0.000 0.000 0.000 3/31104 270.0 0.437 0.227 0.475 0.000 0.000 0.000 3/31104 280.0 0.423 0.219 0.462 0.000 0.000 0.000 3/31104 290.0 0.410 0.212 0.450 0.000 0.000 0.000 3/31104 300.0 0.398 0.205 0.439 0.000 0.000 0.000 3/31104 310.0 0.386 0.199 0.428 0.000 0.000 0.000 3/31104 320.0 0.376 0.193 0.418 0.000 0.000 0.000 3/31104 330.0 0.366 0.188 0.408 0.000 0.000 0.000 3/31104 340.0 0.356 0.183 0.399 0.000 0.000 0.000 3/31104 350.0 0.347 0.178 0.391 0.000 0.000 0.000 3/31104 360.0 0.339 0.173 0.382 0.000 0.000 0.000 3/31104 370.0 0.331 0.169 0.375 0.000 0.000 0.000 3/31104 380.0 0.323 0.165 0.367 0.000 0.000 0.000 3/31104 390.0 0.316 0.161 0.360 0.000 0.000 0.000 3/31104 400.0 0.309 0.157 0.354 0.000 0.000 0.000 3/31104 410.0 0.303 0.153 0.347 0.000 0.000 0.000 3/31104 420.0 0.296 0.150 0.341 0.000 0.000 0.000 3/31104 430.0 0.290 0.147 0.335 0.000 0.000 0.000 3/31104 440.0 0.285 0.144 0.329 0.000 0.000 0.000 3/31104 450.0 0.279 0.141 0.324 0.000 0.000 0.000 3/31104 460.0 0.274 0.138 0.318 0.000 0.000 0.000 3/31104 470.0 0.269 0.135 0.313 0.000 0.000 0.000 3/31104 480.0 0.264 0.132 0.308 0.000 0.000 0.000 3/31104 490.0 0.259 0.130 0.303 0.000 0.000 0.000 3/31104 500.0 0.255 0.127 0.299 0.000 0.000 0.000 3/31104 510.0 0.250 0.125 0.294 0.000 0.000 0.000 3/31104 520.0 0.246 0.123 0.290 0.000 0.000 0.000 3/31104 530.0 0.242 0.121 0.285 0.000 0.000 0.000 3/31104 540.0 0.238 0.119 0.281 0.000 0.000 0.000 3/31104 550.0 0.234 0.117 0.277 0.000 0.000 0.000 3/31104 560.0 0.231 0.115 0.273 0.000 0.000 0.000 3/31104 570.0 0.227 0.113 0.270 0.000 0.000 0.000 3/31104 580.0 0.223 0.111 0.266 0.000 0.000 0.000 3/31104 590.0 0.220 0.109 0.262 0.000 0.000 0.000 3/31104 600.0 0.217 0.107 0.259 0.000 0.000 0.000 3/31104 610.0 0.214 0.106 0.255 0.000 0.000 0.000 3/31104 620.0 0.211 0.104 0.252 0.000 0.000 0.000 3/31104 630.0 0.208 0.102 0.249 0.000 0.000 0.000 3/31104 640.0 0.205 0.101 0.246 0.000 0.000 0.000 3/31104 650.0 0.202 0.099 0.243 0.000 0.000 0.000 3/31104 660.0 0.199 0.098 0.240 0.000 0.000 0.000 3/31104 670.0 0.196 0.097 0.237 0.000 0.000 0.000 3/31104 680.0 0.194 0.095 0.234 0.000 0.000 0.000 3/31104 690.0 0.191 0.094 0.231 0.000 0.000 0.000 3/31104 700.0 0.189 0.093 0.228 0.000 0.000 0.000 3/31104 710.0 0.186 0.091 0.225 0.000 0.000 0.000 3/31104 720.0 0.184 0.090 0.223 0.000 0.000 0.000 3/31104 730.0 0.182 0.089 0.220 0.000 0.000 0.000 3/31104 740.0 0.179 0.088 0.218 0.000 0.000 0.000 3/31104 750.0 0.177 0.087 0.215 0.000 0.000 0.000 3/31104 760.0 0.175 0.086 0.213 0.000 0.000 0.000 3/31104 770.0 0.173 0.085 0.210 0.000 0.000 0.000 3/31104 780.0 0.171 0.084 0.208 0.000 0.000 0.000 3/31104 790.0 0.169 0.083 0.206 0.000 0.000 0.000 3/31104 800.0 0.167 0.082 0.204 0.000 0.000 0.000 3/31104 810.0 0.165 0.081 0.202 0.000 0.000 0.000 3/31104 820.0 0.163 0.080 0.199 0.000 0.000 0.000 3/31104 830.0 0.161 0.079 0.197 0.000 0.000 0.000 3/31104 840.0 0.160 0.078 0.195 0.000 0.000 0.000 3/31104 850.0 0.158 0.077 0.193 0.000 0.000 0.000 3/31104 860.0 0.156 0.076 0.191 0.000 0.000 0.000 3/31104 870.0 0.155 0.075 0.189 0.000 0.000 0.000 3/31104 880.0 0.153 0.074 0.187 0.000 0.000 0.000 3/31104 890.0 0.151 0.074 0.186 0.000 0.000 0.000 3/31104 900.0 0.150 0.073 0.184 0.000 0.000 0.000 3/31104 910.0 0.148 0.072 0.182 0.000 0.000 0.000 3/31104 920.0 0.147 0.071 0.180 0.000 0.000 0.000 3/31104 930.0 0.145 0.071 0.179 0.000 0.000 0.000 3/31104 940.0 0.144 0.070 0.177 0.000 0.000 0.000 3/31104 950.0 0.142 0.069 0.175 0.000 0.000 0.000 3/31104 960.0 0.141 0.068 0.174 0.000 0.000 0.000 3/31104 970.0 0.140 0.068 0.172 0.000 0.000 0.000 3/31104 980.0 0.138 0.067 0.170 0.000 0.000 0.000 3/31104 990.0 0.137 0.066 0.169 0.000 0.000 0.000 3/31104 1000.0 0.136 0.066 0.167 0.000 0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m646.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:33:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|